G4LYA2_SCHMA Loading...

Cysteine and histidine-rich domain (Chord)-containing, zinc binding protein, putative

AlphaFold DB , UniProt , Accession G4LYA2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 343 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
1M47.8Very low82Confident241 Ų24186.8 Ų86.8100%1.18746%0.458SS*.  01230-63.9-175.1-163.300106.1N3M1-N3 PolarHBondContact O-N 3.2Å
2A62.6Low82.6Confident70 Ų7081.2 Ų81.258%0.57943%0.431SS*.  trans-59.6127.1179.200000109.4L4A2-L4 HydrophobicContact CB-CG 4.34Å; A2-L4 PolarHBondContact O-N 2.98Å
3N81.1Confident82.6Confident140 Ų14080.1 Ų80.175%0.74944%0.44SS*.  trans-86.170.8-173.9-151.310.9000109.2M1 L5M1-N3 PolarHBondContact O-N 3.2Å; N3-L5 PolarHBondContact O-N 3Å
4L86Confident83Confident92 Ų9283.1 Ų83.148%0.48245%0.45SS..PPolyproline II helixtrans-68.2125.1-174-68.9164.4000111.3A2 K15 F16 D17A2-L4 HydrophobicContact CB-CG 4.34Å; A2-L4 PolarHBondContact O-N 2.98Å; L4-K15 HydrophobicContact CB-CB 4.17Å; L4-F16 CarbonylContact C-O 3.56Å; L4-F16 WeakPolarHBondContact CA-O 3.42Å; L4-D17 HydrophobicContact CD2-CB 4.14Å
5L88.6Confident83.5Confident77 Ų7787.1 Ų87.140%0.40346%0.461SS..EExtended strand (participates in β ladder)trans-92.1150.7175.7-69.4171.8000111N3 K15 F16 P18N3-L5 PolarHBondContact O-N 3Å; L5-K15 CarbonylContact O-C 3.54Å; L5-K15 WeakPolarHBondContact O-CA 3.11Å; L5-F16 HydrophobicContact CB-CD1 4.32Å; L5-F16 HydrophobicContact CB-CE1 3.79Å; L5-F16 HydrophobicContact CB-CE2 4.46Å; L5-F16 HydrophobicContact CB-CZ 3.88Å; L5-F16 HydrophobicContact CD1-CZ 4.32Å; L5-F16 PolarHBondContact N-O 2.59Å; L5-F16 VanDerWaalsContact O-CD1 3.24Å; L5-F16 WeakPolarHBondContact O-CD1 3.24Å; L5-F16 PolarHBondContact O-N 2.73Å; L5-P18 HydrophobicContact CD1-CB 4.06Å; L5-P18 HydrophobicContact CD1-CG 3.86Å; L5-P18 HydrophobicContact CG-CG 4.4Å
6F90.5Very high84Confident91 Ų9182.6 Ų82.640%0.39944%0.437SS..EExtended strand (participates in β ladder)trans-85.2131.9175.2-158.5-94000110.5Y8 A13 K15F6-Y8 HydrophobicContact CB-CE2 4.43Å; F6-Y8 VanDerWaalsContact O-CD2 3.29Å; F6-Y8 WeakPolarHBondContact O-CD2 3.2Å; F6-Y8 WeakPolarHBondContact O-CE2 3.37Å; F6-A13 HydrophobicContact CE1-CB 4.38Å; F6-A13 WeakPolarHBondContact CE2-O 3.49Å; F6-A13 HydrophobicContact CZ-CB 4.06Å; F6-A13 VanDerWaalsContact CZ-O 3.29Å; F6-A13 WeakPolarHBondContact CZ-O 3.34Å; F6-K15 HydrophobicContact CD2-CG 3.89Å; F6-K15 HydrophobicContact CE2-CG 4.49Å
7C91.4Very high84.4Confident2 Ų280.4 Ų80.41%0.01443%0.425CS..PPolyproline II helixtrans-80.4124177-174.10000111.3N9 C12 Q14 F16 H66 N67C7-N9 PolarHBondContact SG-N 3.32Å; C7-C12 HydrophobicContact CB-CB 4.29Å; C7-C12 VanDerWaalsContact SG-SG 3.63Å; C7-Q14 WeakPolarHBondContact CB-O 2.98Å; C7-Q14 PolarHBondContact N-O 3.17Å; C7-F16 HydrophobicContact CB-CD1 3.93Å; C7-F16 HydrophobicContact CB-CE1 4.1Å; C7-H66 HydrophobicContact CB-CB 4.15Å; C7-H66 WeakPolarHBondContact CB-ND1 3.49Å; C7-H66 PolarHBondContact SG-ND1 3.44Å; C7-H66 VanDerWaalsContact SG-ND1 3.41Å; C7-N67 CarbonylContact C-O 3.38Å; C7-N67 WeakPolarHBondContact CA-O 3.37Å
8Y90Very high84.5Confident102 Ų10279.6 Ų79.640%0.443%0.425SS..  trans-96.62.6177.2-69.3-84.7000113.9F6 K10 N67 G68 V69 P70F6-Y8 HydrophobicContact CB-CE2 4.43Å; F6-Y8 VanDerWaalsContact O-CD2 3.29Å; F6-Y8 WeakPolarHBondContact O-CD2 3.2Å; F6-Y8 WeakPolarHBondContact O-CE2 3.37Å; Y8-K10 PolarHBondContact O-N 3.07Å; Y8-N67 PolarHBondContact N-O 2.94Å; Y8-G68 WeakPolarHBondContact CD2-O 3.45Å; Y8-G68 WeakPolarHBondContact CE2-O 3.49Å; Y8-V69 WeakPolarHBondContact CB-O 3.45Å; Y8-P70 HydrophobicContact CD1-CB 4.25Å; Y8-P70 HydrophobicContact CD2-CG 4.39Å; Y8-P70 HydrophobicContact CE1-CB 3.93Å; Y8-P70 HydrophobicContact CE1-CG 4.23Å; Y8-P70 HydrophobicContact CE2-CB 4.24Å; Y8-P70 HydrophobicContact CE2-CG 3.79Å
9N90.2Very high84.6Confident26 Ų2684.8 Ų84.814%0.13945%0.447CS..SBendtrans-64.3134170.3-70.7-25.2000110.1C7 G11 C12 C26 Y28 K65 N67C7-N9 PolarHBondContact SG-N 3.32Å; N9-G11 PolarHBondContact O-N 3.44Å; N9-C12 HydrophobicContact CB-CB 4.44Å; N9-C12 PolarHBondContact O-N 3.05Å; N9-C12 VanDerWaalsContact O-N 3.13Å; N9-C26 PolarHBondContact ND2-SG 3Å; N9-Y28 HydrophobicContact CB-CD1 4.36Å; N9-Y28 HydrophobicContact CB-CD2 4.14Å; N9-Y28 HydrophobicContact CB-CG 3.77Å; N9-K65 PolarHBondContact ND2-O 3.13Å; N9-N67 PolarHBondContact ND2-N 2.85Å; N9-N67 WeakPolarHBondContact OD1-CB 3.24Å
10K88.9Confident84.7Confident81 Ų8189.1 Ų89.135%0.35246%0.464SS..THydrogen-bonded Turntrans-61.5121.2-172.4-54.4-176.2-172.3-1790110.8Y8 Y28 H29 E32 W42Y8-K10 PolarHBondContact O-N 3.07Å; K10-Y28 CarbonylContact O-C 3.6Å; K10-Y28 WeakPolarHBondContact O-CA 3.49Å; K10-Y28 WeakPolarHBondContact O-CB 3.17Å; K10-H29 HydrophobicContact CB-CB 4.49Å; K10-H29 PolarHBondContact O-N 3.42Å; K10-E32 IonicContact NZ-OE1 2.8Å; K10-W42 HydrophobicContact CB-CH2 3.71Å; K10-W42 HydrophobicContact CB-CZ3 3.91Å; K10-W42 HydrophobicContact CD-CH2 4.11Å; K10-W42 HydrophobicContact CD-CZ3 3.68Å; K10-W42 HydrophobicContact CG-CH2 4.4Å; K10-W42 HydrophobicContact CG-CZ3 4.38Å
11G85.1Confident85Confident33 Ų3386.5 Ų86.534%0.3445%0.451SS..THydrogen-bonded Turntrans880.8179.900000116.2N9N9-G11 PolarHBondContact O-N 3.44Å
12C88.4Confident86.9Confident19 Ų1977.7 Ų77.713%0.12841%0.413CS..THydrogen-bonded Turntrans-88-60.6175.3177.90000112.1C7 N9 Q14 C26 H66C7-C12 HydrophobicContact CB-CB 4.29Å; C7-C12 VanDerWaalsContact SG-SG 3.63Å; N9-C12 HydrophobicContact CB-CB 4.44Å; N9-C12 PolarHBondContact O-N 3.05Å; N9-C12 VanDerWaalsContact O-N 3.13Å; C12-Q14 WeakPolarHBondContact O-CG 3.28Å; C12-Q14 PolarHBondContact O-N 3.02Å; C12-C26 VanDerWaalsContact CB-SG 3.58Å; C12-H66 PolarHBondContact SG-CE1 3.41Å; C12-H66 PolarHBondContact SG-ND1 3.38Å; C12-H66 VanDerWaalsContact SG-ND1 3.38Å
13A83.5Confident88.1Confident67 Ų6781.4 Ų81.455%0.55442%0.418SS*.  trans51.718.1-18000000115.9F6F6-A13 HydrophobicContact CE1-CB 4.38Å; F6-A13 WeakPolarHBondContact CE2-O 3.49Å; F6-A13 HydrophobicContact CZ-CB 4.06Å; F6-A13 VanDerWaalsContact CZ-O 3.29Å; F6-A13 WeakPolarHBondContact CZ-O 3.34Å
14Q87.3Confident88.5Confident123 Ų12380.1 Ų80.158%0.57541%0.412SS*.  trans-91154.2177-64.5-158.9-10.900111.7C7 C12C7-Q14 WeakPolarHBondContact CB-O 2.98Å; C7-Q14 PolarHBondContact N-O 3.17Å; C12-Q14 WeakPolarHBondContact O-CG 3.28Å; C12-Q14 PolarHBondContact O-N 3.02Å
15K91.4Very high88.8Confident143 Ų14377.5 Ų77.562%0.62240%0.401SS*.EExtended strand (participates in β ladder)trans-86.3135.3166.3-68.5-177.2-177.9-177.90109L4 L5 F6L4-K15 HydrophobicContact CB-CB 4.17Å; L5-K15 CarbonylContact O-C 3.54Å; L5-K15 WeakPolarHBondContact O-CA 3.11Å; F6-K15 HydrophobicContact CD2-CG 3.89Å; F6-K15 HydrophobicContact CE2-CG 4.49Å
16F91.2Very high89Confident15 Ų1573.9 Ų73.97%0.06638%0.382CS..EExtended strand (participates in β ladder)trans-133152.4-177.671.3-80.3000110.6L4 L5 C7 N21 H66L4-F16 CarbonylContact C-O 3.56Å; L4-F16 WeakPolarHBondContact CA-O 3.42Å; L5-F16 HydrophobicContact CB-CD1 4.32Å; L5-F16 HydrophobicContact CB-CE1 3.79Å; L5-F16 HydrophobicContact CB-CE2 4.46Å; L5-F16 HydrophobicContact CB-CZ 3.88Å; L5-F16 HydrophobicContact CD1-CZ 4.32Å; L5-F16 PolarHBondContact N-O 2.59Å; L5-F16 VanDerWaalsContact O-CD1 3.24Å; L5-F16 WeakPolarHBondContact O-CD1 3.24Å; L5-F16 PolarHBondContact O-N 2.73Å; C7-F16 HydrophobicContact CB-CD1 3.93Å; C7-F16 HydrophobicContact CB-CE1 4.1Å; F16-N21 HydrophobicContact CD2-CB 4.21Å; F16-N21 HydrophobicContact CE2-CB 4.39Å; F16-H66 HydrophobicContact CB-CB 4.07Å; F16-H66 HydrophobicContact CD1-CB 3.35Å; F16-H66 AromaticContact CD1-CG 3.74Å; F16-H66 HydrophobicContact CD2-CB 3.52Å; F16-H66 HydrophobicContact CE1-CB 3.51Å; F16-H66 HydrophobicContact CE2-CB 3.68Å; F16-H66 HydrophobicContact CG-CB 3.35Å; F16-H66 AromaticContact CG-CD2 3.85Å; F16-H66 AromaticContact CG-CG 3.54Å; F16-H66 HydrophobicContact CZ-CB 3.67Å
17D90.5Very high89Confident45 Ų4574 Ų7424%0.24138%0.384CS..  trans-85.2123.7170.5-160.1-42.1000108.4L4 E19 E20L4-D17 HydrophobicContact CD2-CB 4.14Å; D17-E19 PolarHBondContact O-N 2.88Å; D17-E19 VanDerWaalsContact O-N 3.14Å; D17-E19 PolarHBondContact OD1-N 3.12Å; D17-E20 HydrophobicContact CB-CB 4.48Å; D17-E20 CarbonylContact O-C 3.43Å; D17-E20 PolarHBondContact O-N 3.24Å; D17-E20 VanDerWaalsContact O-N 3.13Å
18P87Confident89.1Confident66 Ų6676.7 Ų76.743%0.42939%0.394SS..G310 helixtrans-57.7-22.3176.318.3-28.4000114L5L5-P18 HydrophobicContact CD1-CB 4.06Å; L5-P18 HydrophobicContact CD1-CG 3.86Å; L5-P18 HydrophobicContact CG-CG 4.4Å
19E86.2Confident89.3Confident179 Ų17971.9 Ų71.984%0.83638%0.375SS*.G310 helixtrans-79.7-27.5176.6-60.9-164.4155.500113.4D17D17-E19 PolarHBondContact O-N 2.88Å; D17-E19 VanDerWaalsContact O-N 3.14Å; D17-E19 PolarHBondContact OD1-N 3.12Å
20E87.1Confident89.4Confident170 Ų17074.6 Ų74.679%0.79439%0.394SS*.G310 helixtrans-104.940.3176.5-66.6-152.3154.800112.7D17D17-E20 HydrophobicContact CB-CB 4.48Å; D17-E20 CarbonylContact O-C 3.43Å; D17-E20 PolarHBondContact O-N 3.24Å; D17-E20 VanDerWaalsContact O-N 3.13Å
21N90Very high89.4Confident34 Ų3471.2 Ų71.218%0.18238%0.382CS..  trans-101.382.2-179.2-167.613.8000112.2F16 K65 H66F16-N21 HydrophobicContact CD2-CB 4.21Å; F16-N21 HydrophobicContact CE2-CB 4.39Å; N21-K65 WeakPolarHBondContact OD1-CA 3.48Å; N21-K65 WeakPolarHBondContact OD1-CB 3.37Å; N21-H66 PolarHBondContact ND2-O 2.85Å; N21-H66 PolarHBondContact OD1-N 2.85Å
22S88.2Confident89.7Confident56 Ų5675.7 Ų75.739%0.39239%0.394SS..  trans-79.3165.7176.870.70000112.7D24 S25 K65S22-D24 WeakPolarHBondContact CB-OD1 3.43Å; S22-D24 PolarHBondContact O-N 3.41Å; S22-D24 VanDerWaalsContact O-N 3.12Å; S22-D24 PolarHBondContact OG-OD1 2.94Å; S22-S25 WeakPolarHBondContact CA-OG 3.36Å; S22-S25 PolarHBondContact N-OG 2.95Å; S22-S25 PolarHBondContact O-N 3.31Å; S22-S25 PolarHBondContact O-OG 2.94Å; S22-S25 PolarHBondContact OG-OG 3.37Å; S22-K65 WeakPolarHBondContact O-CG 3.43Å
23E87.6Confident89.6Confident148 Ų14877.2 Ų77.269%0.69240%0.404SS*.THydrogen-bonded Turntrans-68-7.9-178.3-75.3-172.6170.200114.4G64 K65E23-G64 CarbonylContact O-C 3.53Å; E23-G64 VanDerWaalsContact O-C 3.25Å; E23-G64 WeakPolarHBondContact O-CA 3.2Å; E23-G64 PolarHBondContact O-N 3.08Å; E23-K65 HydrophobicContact CG-CG 4.3Å
24D90Very high89.8Confident113 Ų11377.2 Ų77.260%0.60439%0.394SS*.THydrogen-bonded Turntrans-119.34.7-174.948.5-16000113.2S22 V63S22-D24 WeakPolarHBondContact CB-OD1 3.43Å; S22-D24 PolarHBondContact O-N 3.41Å; S22-D24 VanDerWaalsContact O-N 3.12Å; S22-D24 PolarHBondContact OG-OD1 2.94Å; D24-V63 HydrophobicContact CB-CG1 4.28Å; D24-V63 VanDerWaalsContact O-CG1 3.3Å; D24-V63 WeakPolarHBondContact O-CG1 3.39Å
25S90.5Very high90Very high38 Ų3877 Ų7727%0.26639%0.391SS..SBendtrans-77.3-34.1-174.7-29.70000114.1S22 H66S22-S25 WeakPolarHBondContact CA-OG 3.36Å; S22-S25 PolarHBondContact N-OG 2.95Å; S22-S25 PolarHBondContact O-N 3.31Å; S22-S25 PolarHBondContact O-OG 2.94Å; S22-S25 PolarHBondContact OG-OG 3.37Å; S25-H66 PolarHBondContact O-NE2 3.09Å
26C92.8Very high89.6Confident0 Ų077.2 Ų77.20%039%0.394CS..EExtended strand (participates in β ladder)trans-107122.3-172.2-177.50000111.7N9 C12 Y28 V63 G64 H66N9-C26 PolarHBondContact ND2-SG 3Å; C12-C26 VanDerWaalsContact CB-SG 3.58Å; C26-Y28 HydrophobicContact CB-CD1 4.46Å; C26-V63 CarbonylContact O-C 3.49Å; C26-V63 VanDerWaalsContact O-CA 3.28Å; C26-V63 WeakPolarHBondContact O-CA 3.46Å; C26-G64 WeakPolarHBondContact CA-O 3.29Å; C26-G64 WeakPolarHBondContact CB-O 3.21Å; C26-G64 PolarHBondContact N-O 3.14Å; C26-G64 PolarHBondContact O-N 3.07Å; C26-H66 HydrophobicContact CB-CB 4.35Å
27H91.9Very high89.2Confident94 Ų9482.9 Ų82.944%0.43543%0.425SS..EExtended strand (participates in β ladder)trans-94.3120.2165.2-69.3-89.6000110.6A62H27-A62 CarbonylContact C-O 3.53Å; H27-A62 WeakPolarHBondContact CA-O 3.49Å
28Y93.7Very high88.6Confident58 Ų5884.5 Ų84.523%0.22745%0.445CS..EExtended strand (participates in β ladder)trans-144.8170.1-177.267.1-79.4000113.6N9 K10 C26 P30 G60 C61 A62N9-Y28 HydrophobicContact CB-CD1 4.36Å; N9-Y28 HydrophobicContact CB-CD2 4.14Å; N9-Y28 HydrophobicContact CB-CG 3.77Å; K10-Y28 CarbonylContact O-C 3.6Å; K10-Y28 WeakPolarHBondContact O-CA 3.49Å; K10-Y28 WeakPolarHBondContact O-CB 3.17Å; C26-Y28 HydrophobicContact CB-CD1 4.46Å; Y28-P30 HydrophobicContact CE2-CB 4.21Å; Y28-G60 CarbonylContact O-C 3.25Å; Y28-G60 VanDerWaalsContact O-CA 3.24Å; Y28-G60 WeakPolarHBondContact O-CA 3.41Å; Y28-C61 PolarHBondContact O-N 3.49Å; Y28-C61 VanDerWaalsContact O-N 3.09Å; Y28-A62 HydrophobicContact CE1-CB 4.34Å; Y28-A62 HydrophobicContact CE2-CB 4.41Å; Y28-A62 PolarHBondContact N-O 2.95Å; Y28-A62 PolarHBondContact O-N 3.42Å
29H93.4Very high88.4Confident2 Ų285.8 Ų85.81%0.00944%0.444CS..  trans-103.4112.8174.6-68.8-65.7000109.9K10 G31 W42 C44 I58 K59 G60 C61K10-H29 HydrophobicContact CB-CB 4.49Å; K10-H29 PolarHBondContact O-N 3.42Å; H29-G31 PolarHBondContact O-N 2.77Å; H29-W42 HydrophobicContact CB-CB 4.39Å; H29-W42 HydrophobicContact CB-CD2 3.62Å; H29-W42 HydrophobicContact CB-CE3 3.67Å; H29-W42 HydrophobicContact CB-CG 3.95Å; H29-W42 HydrophobicContact CB-CZ3 4.2Å; H29-W42 AromaticContact CD2-CD1 3.44Å; H29-W42 VanDerWaalsContact CD2-CD1 3.44Å; H29-W42 AromaticContact CD2-CD2 3.72Å; H29-W42 AromaticContact CD2-CE2 3.47Å; H29-W42 VanDerWaalsContact CD2-CE2 3.47Å; H29-W42 AromaticContact CD2-CG 3.71Å; H29-W42 AromaticContact CD2-NE1 3.27Å; H29-W42 PolarHBondContact CD2-NE1 2.99Å; H29-W42 VanDerWaalsContact CD2-NE1 3.27Å; H29-W42 AromaticContact CE1-CD1 3.64Å; H29-W42 AromaticContact CE1-CG 4Å; H29-W42 AromaticContact CG-CD1 3.69Å; H29-W42 AromaticContact CG-CD2 3.6Å; H29-W42 AromaticContact CG-CE2 3.87Å; H29-W42 AromaticContact CG-CG 3.51Å; H29-W42 AromaticContact CG-NE1 3.89Å; H29-W42 AromaticContact ND1-CD1 3.85Å; H29-W42 AromaticContact ND1-CG 3.74Å; H29-W42 AromaticContact NE2-CD1 3.39Å; H29-W42 AromaticContact NE2-CG 4Å; H29-W42 AromaticContact NE2-NE1 3.5Å; H29-C44 VanDerWaalsContact CB-SG 3.59Å; H29-I58 PolarHBondContact NE2-O 3.3Å; H29-K59 PolarHBondContact CE1-O 3.04Å; H29-K59 PolarHBondContact NE2-O 2.86Å; H29-G60 VanDerWaalsContact CE1-CA 3.5Å; H29-G60 WeakPolarHBondContact CE1-CA 3.19Å; H29-G60 WeakPolarHBondContact NE2-CA 3.49Å; H29-C61 PolarHBondContact CE1-N 2.83Å; H29-C61 PolarHBondContact ND1-N 3.41Å
30P92.2Very high88.5Confident83 Ų8379.1 Ų79.154%0.53941%0.412SS..  trans-72.4-17.6174.726.5-32.3000112.4Y28 C44 A62Y28-P30 HydrophobicContact CE2-CB 4.21Å; P30-C44 HydrophobicContact CG-CB 3.86Å; P30-A62 HydrophobicContact CG-CB 4.04Å
31G90Very high88.7Confident9 Ų974.9 Ų74.99%0.09339%0.391CS..SBendtrans-80.6166179.200000113.8H29 W42 S43 C44H29-G31 PolarHBondContact O-N 2.77Å; G31-W42 VanDerWaalsContact O-CE3 3.28Å; G31-W42 WeakPolarHBondContact O-CZ3 3.47Å; G31-S43 WeakPolarHBondContact CA-OG 3.3Å; G31-C44 PolarHBondContact N-SG 2.94Å
32E89.7Confident88.8Confident128 Ų12873.9 Ų73.960%0.59839%0.385SS*.PPolyproline II helixtrans-82.3149.7171.3-56.6-137.6125.600112.8K10 S43K10-E32 IonicContact NZ-OE1 2.8Å; E32-S43 PolarHBondContact N-OG 3.38Å; E32-S43 PolarHBondContact O-N 2.89Å; E32-S43 PolarHBondContact O-OG 3.4Å; E32-S43 VanDerWaalsContact O-OG 3.07Å
33P87.9Confident88.9Confident51 Ų5174.1 Ų74.133%0.33139%0.387SS..EExtended strand (participates in β ladder)trans-69.1128.5170.627.5-28.1000109.8F35 W42 F55P33-F35 HydrophobicContact CB-CE1 4.42Å; P33-F35 HydrophobicContact CB-CE2 4.35Å; P33-F35 HydrophobicContact CB-CZ 3.94Å; P33-W42 HydrophobicContact CB-CE3 4.37Å; P33-W42 HydrophobicContact CB-CH2 4.24Å; P33-W42 HydrophobicContact CB-CZ3 4.01Å; P33-W42 HydrophobicContact CG-CH2 4.45Å; P33-W42 HydrophobicContact CG-CZ3 4.17Å; P33-F55 HydrophobicContact CB-CE1 4.12Å; P33-F55 HydrophobicContact CB-CZ 3.68Å
34I87.1Confident89.1Confident66 Ų6669.2 Ų69.234%0.33837%0.368SS..EExtended strand (participates in β ladder)trans-114.8125.2175.6-59.8173.8000108.2K41I34-K41 HydrophobicContact CB-CG 3.96Å; I34-K41 PolarHBondContact N-O 2.77Å; I34-K41 PolarHBondContact O-N 2.91Å
35F91Very high88.9Confident118 Ų11864.9 Ų64.952%0.51835%0.346SS..EExtended strand (participates in β ladder)trans-110.8108.5175.3-53.1-55.4000109.2P33 K40 F52 F55P33-F35 HydrophobicContact CB-CE1 4.42Å; P33-F35 HydrophobicContact CB-CE2 4.35Å; P33-F35 HydrophobicContact CB-CZ 3.94Å; F35-K40 HydrophobicContact CD1-CB 3.84Å; F35-K40 HydrophobicContact CD1-CG 3.67Å; F35-K40 HydrophobicContact CE1-CB 3.91Å; F35-K40 HydrophobicContact CE1-CD 4.48Å; F35-K40 HydrophobicContact CE1-CG 3.92Å; F35-F52 HydrophobicContact CE1-CE2 4.05Å; F35-F52 AromaticContact CZ-CE2 3.96Å; F35-F52 HydrophobicContact CZ-CE2 3.96Å; F35-F52 HydrophobicContact CZ-CZ 4.43Å; F35-F55 HydrophobicContact CE1-CD1 4.3Å; F35-F55 AromaticContact CE1-CE1 3.97Å; F35-F55 HydrophobicContact CE1-CE1 3.97Å; F35-F55 HydrophobicContact CE1-CZ 4.35Å; F35-F55 HydrophobicContact CZ-CE1 4.25Å
36H84Confident88.6Confident149 Ų14970.1 Ų70.169%0.6937%0.371SS*.EExtended strand (participates in β ladder)trans-146.6133.4178.2-167.4-73.8000110.2A38 K39H36-A38 PolarHBondContact O-N 3.2Å; H36-K39 PolarHBondContact N-O 2.97Å; H36-K39 PolarHBondContact O-N 3.24Å
37D82.2Confident88.1Confident133 Ų13375.2 Ų75.271%0.71139%0.393SS*.THydrogen-bonded Turntrans52.652.2174.8-164.933.3000113.4K39D37-K39 PolarHBondContact O-N 3.12Å
38A79Confident87.9Confident80 Ų8077.5 Ų77.566%0.66140%0.399SS*.THydrogen-bonded Turntrans59-2.1-175.500000116.4H36H36-A38 PolarHBondContact O-N 3.2Å
39K81.6Confident87.5Confident93 Ų9375 Ų7540%0.40439%0.39SS..EExtended strand (participates in β ladder)trans-93.8136.2175.2-64.6177.2-173.6175.40110.2H36 D37 Y48 T50H36-K39 PolarHBondContact N-O 2.97Å; H36-K39 PolarHBondContact O-N 3.24Å; D37-K39 PolarHBondContact O-N 3.12Å; K39-Y48 HydrophobicContact CD-CD2 4.03Å; K39-Y48 HydrophobicContact CD-CE2 4.3Å; K39-Y48 HydrophobicContact CG-CD2 4.28Å; K39-T50 HydrophobicContact CG-CG2 4.25Å
40K89.4Confident87Confident38 Ų3878.2 Ų78.217%0.16541%0.41CS..EExtended strand (participates in β ladder)trans-111.8116.2177.7-52.7166.1-177.668.20105.9F35 Y48 S49 T50 F52 F55F35-K40 HydrophobicContact CD1-CB 3.84Å; F35-K40 HydrophobicContact CD1-CG 3.67Å; F35-K40 HydrophobicContact CE1-CB 3.91Å; F35-K40 HydrophobicContact CE1-CD 4.48Å; F35-K40 HydrophobicContact CE1-CG 3.92Å; K40-Y48 CarbonylContact O-C 3.6Å; K40-Y48 VanDerWaalsContact O-CA 3.26Å; K40-Y48 WeakPolarHBondContact O-CA 3.38Å; K40-S49 PolarHBondContact N-O 2.94Å; K40-S49 PolarHBondContact O-N 2.89Å; K40-T50 PolarHBondContact NZ-O 2.75Å; K40-F52 HydrophobicContact CD-CB 4.09Å; K40-F52 HydrophobicContact CD-CD2 3.67Å; K40-F52 HydrophobicContact CD-CG 4.21Å; K40-F52 VanDerWaalsContact CE-CD2 3.42Å; K40-F55 HydrophobicContact CB-CB 3.79Å; K40-F55 HydrophobicContact CB-CD1 4.12Å; K40-F55 HydrophobicContact CB-CD2 3.53Å; K40-F55 HydrophobicContact CB-CE2 4.18Å; K40-F55 HydrophobicContact CB-CG 3.51Å; K40-F55 HydrophobicContact CD-CB 3.98Å; K40-F55 HydrophobicContact CD-CG 4.32Å; K40-F55 WeakPolarHBondContact O-CD2 3.36Å
41K91.1Very high86.7Confident81 Ų8177.6 Ų77.635%0.35240%0.402SS..EExtended strand (participates in β ladder)trans-134.1156.1-177.576.6173-172.5174.50111.2I34I34-K41 HydrophobicContact CB-CG 3.96Å; I34-K41 PolarHBondContact N-O 2.77Å; I34-K41 PolarHBondContact O-N 2.91Å
42W90.8Very high86.5Confident13 Ų1382.1 Ų82.15%0.04942%0.419CS..EExtended strand (participates in β ladder)trans-89.8133.5168.9-70.2103.5000109.3K10 H29 G31 P33 C44 C45 F55K10-W42 HydrophobicContact CB-CH2 3.71Å; K10-W42 HydrophobicContact CB-CZ3 3.91Å; K10-W42 HydrophobicContact CD-CH2 4.11Å; K10-W42 HydrophobicContact CD-CZ3 3.68Å; K10-W42 HydrophobicContact CG-CH2 4.4Å; K10-W42 HydrophobicContact CG-CZ3 4.38Å; H29-W42 HydrophobicContact CB-CB 4.39Å; H29-W42 HydrophobicContact CB-CD2 3.62Å; H29-W42 HydrophobicContact CB-CE3 3.67Å; H29-W42 HydrophobicContact CB-CG 3.95Å; H29-W42 HydrophobicContact CB-CZ3 4.2Å; H29-W42 AromaticContact CD2-CD1 3.44Å; H29-W42 VanDerWaalsContact CD2-CD1 3.44Å; H29-W42 AromaticContact CD2-CD2 3.72Å; H29-W42 AromaticContact CD2-CE2 3.47Å; H29-W42 VanDerWaalsContact CD2-CE2 3.47Å; H29-W42 AromaticContact CD2-CG 3.71Å; H29-W42 AromaticContact CD2-NE1 3.27Å; H29-W42 PolarHBondContact CD2-NE1 2.99Å; H29-W42 VanDerWaalsContact CD2-NE1 3.27Å; H29-W42 AromaticContact CE1-CD1 3.64Å; H29-W42 AromaticContact CE1-CG 4Å; H29-W42 AromaticContact CG-CD1 3.69Å; H29-W42 AromaticContact CG-CD2 3.6Å; H29-W42 AromaticContact CG-CE2 3.87Å; H29-W42 AromaticContact CG-CG 3.51Å; H29-W42 AromaticContact CG-NE1 3.89Å; H29-W42 AromaticContact ND1-CD1 3.85Å; H29-W42 AromaticContact ND1-CG 3.74Å; H29-W42 AromaticContact NE2-CD1 3.39Å; H29-W42 AromaticContact NE2-CG 4Å; H29-W42 AromaticContact NE2-NE1 3.5Å; G31-W42 VanDerWaalsContact O-CE3 3.28Å; G31-W42 WeakPolarHBondContact O-CZ3 3.47Å; P33-W42 HydrophobicContact CB-CE3 4.37Å; P33-W42 HydrophobicContact CB-CH2 4.24Å; P33-W42 HydrophobicContact CB-CZ3 4.01Å; P33-W42 HydrophobicContact CG-CH2 4.45Å; P33-W42 HydrophobicContact CG-CZ3 4.17Å; W42-C44 PolarHBondContact O-N 3.44Å; W42-C45 PolarHBondContact O-N 2.85Å; W42-F55 AromaticContact CD1-CE2 3.54Å; W42-F55 HydrophobicContact CD2-CE2 4.05Å; W42-F55 AromaticContact CD2-CZ 3.88Å; W42-F55 HydrophobicContact CD2-CZ 3.88Å; W42-F55 AromaticContact CE2-CE2 3.67Å; W42-F55 AromaticContact CE2-CZ 3.38Å; W42-F55 HydrophobicContact CE3-CZ 4.48Å; W42-F55 AromaticContact CG-CE2 3.98Å; W42-F55 HydrophobicContact CG-CE2 3.98Å; W42-F55 HydrophobicContact CG-CZ 4.32Å; W42-F55 HydrophobicContact CH2-CZ 4.2Å; W42-F55 AromaticContact CZ2-CE1 3.97Å; W42-F55 HydrophobicContact CZ2-CE1 3.97Å; W42-F55 HydrophobicContact CZ2-CE2 4.3Å; W42-F55 AromaticContact CZ2-CZ 3.57Å; W42-F55 HydrophobicContact CZ2-CZ 3.57Å; W42-F55 AromaticContact NE1-CD2 3.99Å; W42-F55 AromaticContact NE1-CE2 3.31Å; W42-F55 VanDerWaalsContact NE1-CE2 3.31Å; W42-F55 AromaticContact NE1-CZ 3.52Å
43S91.1Very high86.1Confident62 Ų6279.6 Ų79.643%0.43442%0.416SS..THydrogen-bonded Turntrans-62.6-23.3177.750.40000113.9G31 E32G31-S43 WeakPolarHBondContact CA-OG 3.3Å; E32-S43 PolarHBondContact N-OG 3.38Å; E32-S43 PolarHBondContact O-N 2.89Å; E32-S43 PolarHBondContact O-OG 3.4Å; E32-S43 VanDerWaalsContact O-OG 3.07Å
44C91.4Very high86Confident44 Ų4482.7 Ų82.730%0.29743%0.426SS..THydrogen-bonded Turntrans-81.5-9179.254.80000114.6H29 P30 G31 W42 C61H29-C44 VanDerWaalsContact CB-SG 3.59Å; P30-C44 HydrophobicContact CG-CB 3.86Å; G31-C44 PolarHBondContact N-SG 2.94Å; W42-C44 PolarHBondContact O-N 3.44Å; C44-C61 PolarHBondContact SG-SG 2.78Å
45C86.8Confident86.1Confident23 Ų2379.7 Ų79.716%0.15541%0.411CS..SBendtrans-151.2155.6177.770.10000112.1W42 K47 C61W42-C45 PolarHBondContact O-N 2.85Å; C45-K47 PolarHBondContact O-N 3.48Å; C45-K47 VanDerWaalsContact O-N 3.12Å; C45-C61 HydrophobicContact CB-CB 3.76Å
46N83.9Confident85.8Confident148 Ų14878.3 Ų78.379%0.79141%0.408SS*.SBendtrans-80.315.4178.7-103.2-7.4000114
47K82.7Confident86Confident106 Ų10677.4 Ų77.446%0.46141%0.408SS..  trans-78.9128.1174-61.5-176.5-172.31770109C45 I58C45-K47 PolarHBondContact O-N 3.48Å; C45-K47 VanDerWaalsContact O-N 3.12Å; K47-I58 HydrophobicContact CB-CD1 4.31Å; K47-I58 HydrophobicContact CB-CG2 3.87Å; K47-I58 HydrophobicContact CD-CG2 3.6Å; K47-I58 HydrophobicContact CG-CG2 4.4Å
48Y86Confident86.2Confident142 Ų14272 Ų7256%0.55738%0.38SS*.EExtended strand (participates in β ladder)trans-131.8152.6175.662.1-91.9000109.3K39 K40K39-Y48 HydrophobicContact CD-CD2 4.03Å; K39-Y48 HydrophobicContact CD-CE2 4.3Å; K39-Y48 HydrophobicContact CG-CD2 4.28Å; K40-Y48 CarbonylContact O-C 3.6Å; K40-Y48 VanDerWaalsContact O-CA 3.26Å; K40-Y48 WeakPolarHBondContact O-CA 3.38Å
49S85.9Confident86.7Confident5 Ų576 Ų764%0.03538%0.382CS..EExtended strand (participates in β ladder)trans-131.9153.6165.9176.30000109.5K40 D51 E54K40-S49 PolarHBondContact N-O 2.94Å; K40-S49 PolarHBondContact O-N 2.89Å; S49-D51 PolarHBondContact OG-N 3.47Å; S49-D51 PolarHBondContact OG-O 3.49Å; S49-E54 WeakPolarHBondContact CB-OE2 3.41Å; S49-E54 WeakPolarHBondContact OG-CB 3.34Å; S49-E54 PolarHBondContact OG-OE2 3.13Å
50T84.2Confident87.1Confident70 Ų7072 Ų7243%0.42937%0.367SS..SBendtrans-89.4-15.3169.849.50000111.8K39 K40K39-T50 HydrophobicContact CG-CG2 4.25Å; K40-T50 PolarHBondContact NZ-O 2.75Å
51D85.7Confident87.2Confident70 Ų7072.9 Ų72.937%0.37438%0.377SS..SBendtrans-98.5142.8176.2178.757.6000111.8S49 S53 E54 F55S49-D51 PolarHBondContact OG-N 3.47Å; S49-D51 PolarHBondContact OG-O 3.49Å; D51-S53 WeakPolarHBondContact OD2-CA 3.36Å; D51-S53 VanDerWaalsContact OD2-CB 3.3Å; D51-S53 WeakPolarHBondContact OD2-CB 3.18Å; D51-S53 PolarHBondContact OD2-N 3.42Å; D51-E54 HydrophobicContact CB-CB 3.95Å; D51-E54 PolarHBondContact OD2-N 3.43Å; D51-F55 VanDerWaalsContact O-CB 3.24Å; D51-F55 WeakPolarHBondContact O-CB 3.35Å; D51-F55 PolarHBondContact O-N 3.22Å
52F84.8Confident87.3Confident104 Ų10470.1 Ų70.146%0.45637%0.37SS..Hα-helixtrans-74.9-38.7-177.2-156.7-87.9000112.1F35 K40 F55 L56F35-F52 HydrophobicContact CE1-CE2 4.05Å; F35-F52 AromaticContact CZ-CE2 3.96Å; F35-F52 HydrophobicContact CZ-CE2 3.96Å; F35-F52 HydrophobicContact CZ-CZ 4.43Å; K40-F52 HydrophobicContact CD-CB 4.09Å; K40-F52 HydrophobicContact CD-CD2 3.67Å; K40-F52 HydrophobicContact CD-CG 4.21Å; K40-F52 VanDerWaalsContact CE-CD2 3.42Å; F52-F55 WeakPolarHBondContact O-CB 3.46Å; F52-F55 PolarHBondContact O-N 2.84Å; F52-L56 HydrophobicContact CD1-CD1 3.78Å; F52-L56 HydrophobicContact CD1-CG 4.03Å; F52-L56 HydrophobicContact CE1-CD1 3.76Å; F52-L56 HydrophobicContact CE1-CD2 4.18Å; F52-L56 HydrophobicContact CE1-CG 3.97Å; F52-L56 WeakPolarHBondContact O-CG 3.26Å; F52-L56 PolarHBondContact O-N 3.33Å
53S82.4Confident87.4Confident75 Ų7573 Ų7352%0.52439%0.389SS..Hα-helixtrans-68.5-42.3178.4-64.90000110.9D51 F55 L56 N57D51-S53 WeakPolarHBondContact OD2-CA 3.36Å; D51-S53 VanDerWaalsContact OD2-CB 3.3Å; D51-S53 WeakPolarHBondContact OD2-CB 3.18Å; D51-S53 PolarHBondContact OD2-N 3.42Å; S53-F55 VanDerWaalsContact C-N 3.35Å; S53-L56 PolarHBondContact O-N 3.27Å; S53-N57 WeakPolarHBondContact O-CB 3.25Å; S53-N57 PolarHBondContact O-N 3.3Å; S53-N57 PolarHBondContact O-ND2 2.79Å
54E84.7Confident87.5Confident116 Ų11670.6 Ų70.654%0.54237%0.373SS..Hα-helixtrans-65.3-38.9175.7-161.3-173.7-139.200111.3S49 D51 N57 I58S49-E54 WeakPolarHBondContact CB-OE2 3.41Å; S49-E54 WeakPolarHBondContact OG-CB 3.34Å; S49-E54 PolarHBondContact OG-OE2 3.13Å; D51-E54 HydrophobicContact CB-CB 3.95Å; D51-E54 PolarHBondContact OD2-N 3.43Å; E54-N57 CarbonylContact O-C 3.52Å; E54-N57 PolarHBondContact O-N 3.21Å; E54-N57 VanDerWaalsContact O-N 3.15Å; E54-I58 WeakPolarHBondContact O-CG1 3.24Å; E54-I58 PolarHBondContact O-N 2.95Å
55F89.3Confident87.6Confident3 Ų373.8 Ų73.81%0.01338%0.382CS..Hα-helixtrans-57.9-46.2172.1169.9-104.2000113.3P33 F35 K40 W42 D51 F52 S53 N57 I58P33-F55 HydrophobicContact CB-CE1 4.12Å; P33-F55 HydrophobicContact CB-CZ 3.68Å; F35-F55 HydrophobicContact CE1-CD1 4.3Å; F35-F55 AromaticContact CE1-CE1 3.97Å; F35-F55 HydrophobicContact CE1-CE1 3.97Å; F35-F55 HydrophobicContact CE1-CZ 4.35Å; F35-F55 HydrophobicContact CZ-CE1 4.25Å; K40-F55 HydrophobicContact CB-CB 3.79Å; K40-F55 HydrophobicContact CB-CD1 4.12Å; K40-F55 HydrophobicContact CB-CD2 3.53Å; K40-F55 HydrophobicContact CB-CE2 4.18Å; K40-F55 HydrophobicContact CB-CG 3.51Å; K40-F55 HydrophobicContact CD-CB 3.98Å; K40-F55 HydrophobicContact CD-CG 4.32Å; K40-F55 WeakPolarHBondContact O-CD2 3.36Å; W42-F55 AromaticContact CD1-CE2 3.54Å; W42-F55 HydrophobicContact CD2-CE2 4.05Å; W42-F55 AromaticContact CD2-CZ 3.88Å; W42-F55 HydrophobicContact CD2-CZ 3.88Å; W42-F55 AromaticContact CE2-CE2 3.67Å; W42-F55 AromaticContact CE2-CZ 3.38Å; W42-F55 HydrophobicContact CE3-CZ 4.48Å; W42-F55 AromaticContact CG-CE2 3.98Å; W42-F55 HydrophobicContact CG-CE2 3.98Å; W42-F55 HydrophobicContact CG-CZ 4.32Å; W42-F55 HydrophobicContact CH2-CZ 4.2Å; W42-F55 AromaticContact CZ2-CE1 3.97Å; W42-F55 HydrophobicContact CZ2-CE1 3.97Å; W42-F55 HydrophobicContact CZ2-CE2 4.3Å; W42-F55 AromaticContact CZ2-CZ 3.57Å; W42-F55 HydrophobicContact CZ2-CZ 3.57Å; W42-F55 AromaticContact NE1-CD2 3.99Å; W42-F55 AromaticContact NE1-CE2 3.31Å; W42-F55 VanDerWaalsContact NE1-CE2 3.31Å; W42-F55 AromaticContact NE1-CZ 3.52Å; D51-F55 VanDerWaalsContact O-CB 3.24Å; D51-F55 WeakPolarHBondContact O-CB 3.35Å; D51-F55 PolarHBondContact O-N 3.22Å; F52-F55 WeakPolarHBondContact O-CB 3.46Å; F52-F55 PolarHBondContact O-N 2.84Å; S53-F55 VanDerWaalsContact C-N 3.35Å; F55-N57 PolarHBondContact O-N 2.83Å; F55-I58 HydrophobicContact CD2-CD1 3.94Å; F55-I58 WeakPolarHBondContact O-CB 3.42Å; F55-I58 WeakPolarHBondContact O-CG1 3.5Å; F55-I58 PolarHBondContact O-N 2.9Å
56L85.7Confident87.9Confident90 Ų9073.6 Ų73.647%0.47138%0.379SS..Hα-helixtrans-64.3-30.8176.3-70.4175.3000112.2F52 S53F52-L56 HydrophobicContact CD1-CD1 3.78Å; F52-L56 HydrophobicContact CD1-CG 4.03Å; F52-L56 HydrophobicContact CE1-CD1 3.76Å; F52-L56 HydrophobicContact CE1-CD2 4.18Å; F52-L56 HydrophobicContact CE1-CG 3.97Å; F52-L56 WeakPolarHBondContact O-CG 3.26Å; F52-L56 PolarHBondContact O-N 3.33Å; S53-L56 PolarHBondContact O-N 3.27Å
57N87Confident88.2Confident129 Ų12969.7 Ų69.769%0.6936%0.358SS*.THydrogen-bonded Turntrans-86.6-1.4178.7-72.1-26.5000114.2S53 E54 F55 K59S53-N57 WeakPolarHBondContact O-CB 3.25Å; S53-N57 PolarHBondContact O-N 3.3Å; S53-N57 PolarHBondContact O-ND2 2.79Å; E54-N57 CarbonylContact O-C 3.52Å; E54-N57 PolarHBondContact O-N 3.21Å; E54-N57 VanDerWaalsContact O-N 3.15Å; F55-N57 PolarHBondContact O-N 2.83Å; N57-K59 PolarHBondContact O-N 2.8Å
58I86Confident88.5Confident21 Ų2165.9 Ų65.911%0.10835%0.349CS..SBendtrans-60.9113.7174.8-63.8176.1000108.3H29 K47 E54 F55 G60H29-I58 PolarHBondContact NE2-O 3.3Å; K47-I58 HydrophobicContact CB-CD1 4.31Å; K47-I58 HydrophobicContact CB-CG2 3.87Å; K47-I58 HydrophobicContact CD-CG2 3.6Å; K47-I58 HydrophobicContact CG-CG2 4.4Å; E54-I58 WeakPolarHBondContact O-CG1 3.24Å; E54-I58 PolarHBondContact O-N 2.95Å; F55-I58 HydrophobicContact CD2-CD1 3.94Å; F55-I58 WeakPolarHBondContact O-CB 3.42Å; F55-I58 WeakPolarHBondContact O-CG1 3.5Å; F55-I58 PolarHBondContact O-N 2.9Å; I58-G60 PolarHBondContact O-N 3.05Å
59K89.4Confident88.5Confident162 Ų16263.7 Ų63.770%0.70435%0.35SS*.  trans-52.8133.1174.9-75.6-156.1175.6-169.80111.3H29 N57H29-K59 PolarHBondContact CE1-O 3.04Å; H29-K59 PolarHBondContact NE2-O 2.86Å; N57-K59 PolarHBondContact O-N 2.8Å
60G90.9Very high88.3Confident9 Ų967.1 Ų67.19%0.09337%0.372CS..  trans-47.6138.9175.700000113.4Y28 H29 I58Y28-G60 CarbonylContact O-C 3.25Å; Y28-G60 VanDerWaalsContact O-CA 3.24Å; Y28-G60 WeakPolarHBondContact O-CA 3.41Å; H29-G60 VanDerWaalsContact CE1-CA 3.5Å; H29-G60 WeakPolarHBondContact CE1-CA 3.19Å; H29-G60 WeakPolarHBondContact NE2-CA 3.49Å; I58-G60 PolarHBondContact O-N 3.05Å
61C92Very high87.8Confident57 Ų5768 Ų6839%0.38538%0.379SS..SBendtrans-87.4-13.6177.767.10000114Y28 H29 C44 C45Y28-C61 PolarHBondContact O-N 3.49Å; Y28-C61 VanDerWaalsContact O-N 3.09Å; H29-C61 PolarHBondContact CE1-N 2.83Å; H29-C61 PolarHBondContact ND1-N 3.41Å; C44-C61 PolarHBondContact SG-SG 2.78Å; C45-C61 HydrophobicContact CB-CB 3.76Å
62A92.9Very high86.8Confident23 Ų2370.7 Ų70.719%0.1939%0.393CS..EExtended strand (participates in β ladder)trans-111.1155.2173.800000110.6H27 Y28 P30H27-A62 CarbonylContact C-O 3.53Å; H27-A62 WeakPolarHBondContact CA-O 3.49Å; Y28-A62 HydrophobicContact CE1-CB 4.34Å; Y28-A62 HydrophobicContact CE2-CB 4.41Å; Y28-A62 PolarHBondContact N-O 2.95Å; Y28-A62 PolarHBondContact O-N 3.42Å; P30-A62 HydrophobicContact CG-CB 4.04Å
63V93.5Very high85.5Confident75 Ų7573.2 Ų73.246%0.45541%0.412SS..EExtended strand (participates in β ladder)trans-115.5144.6172.9-152.50000108.4D24 C26D24-V63 HydrophobicContact CB-CG1 4.28Å; D24-V63 VanDerWaalsContact O-CG1 3.3Å; D24-V63 WeakPolarHBondContact O-CG1 3.39Å; C26-V63 CarbonylContact O-C 3.49Å; C26-V63 VanDerWaalsContact O-CA 3.28Å; C26-V63 WeakPolarHBondContact O-CA 3.46Å
64G93.1Very high83.6Confident10 Ų1074.6 Ų74.610%0.10342%0.417CS..EExtended strand (participates in β ladder)trans-175.4-169.3-177.900000111.9E23 C26E23-G64 CarbonylContact O-C 3.53Å; E23-G64 VanDerWaalsContact O-C 3.25Å; E23-G64 WeakPolarHBondContact O-CA 3.2Å; E23-G64 PolarHBondContact O-N 3.08Å; C26-G64 WeakPolarHBondContact CA-O 3.29Å; C26-G64 WeakPolarHBondContact CB-O 3.21Å; C26-G64 PolarHBondContact N-O 3.14Å; C26-G64 PolarHBondContact O-N 3.07Å
65K93.4Very high81.5Confident112 Ų11275.2 Ų75.249%0.48743%0.429SS..  trans-74.4145.6170.2-67.6-175.8-179.4-179.90111.3N9 N21 S22 E23N9-K65 PolarHBondContact ND2-O 3.13Å; N21-K65 WeakPolarHBondContact OD1-CA 3.48Å; N21-K65 WeakPolarHBondContact OD1-CB 3.37Å; S22-K65 WeakPolarHBondContact O-CG 3.43Å; E23-K65 HydrophobicContact CG-CG 4.3Å
66H93.2Very high79Confident19 Ų1984 Ų849%0.08847%0.467CS..  trans-61.3145.8166.3-66.3-83.5000110.8C7 C12 F16 N21 S25 C26C7-H66 HydrophobicContact CB-CB 4.15Å; C7-H66 WeakPolarHBondContact CB-ND1 3.49Å; C7-H66 PolarHBondContact SG-ND1 3.44Å; C7-H66 VanDerWaalsContact SG-ND1 3.41Å; C12-H66 PolarHBondContact SG-CE1 3.41Å; C12-H66 PolarHBondContact SG-ND1 3.38Å; C12-H66 VanDerWaalsContact SG-ND1 3.38Å; F16-H66 HydrophobicContact CB-CB 4.07Å; F16-H66 HydrophobicContact CD1-CB 3.35Å; F16-H66 AromaticContact CD1-CG 3.74Å; F16-H66 HydrophobicContact CD2-CB 3.52Å; F16-H66 HydrophobicContact CE1-CB 3.51Å; F16-H66 HydrophobicContact CE2-CB 3.68Å; F16-H66 HydrophobicContact CG-CB 3.35Å; F16-H66 AromaticContact CG-CD2 3.85Å; F16-H66 AromaticContact CG-CG 3.54Å; F16-H66 HydrophobicContact CZ-CB 3.67Å; N21-H66 PolarHBondContact ND2-O 2.85Å; N21-H66 PolarHBondContact OD1-N 2.85Å; S25-H66 PolarHBondContact O-NE2 3.09Å; C26-H66 HydrophobicContact CB-CB 4.35Å
67N90.4Very high76.7Confident65 Ų6589.1 Ų89.135%0.34849%0.488SS..  trans-114.1115.2177-177.46.8000110C7 Y8 N9 V69C7-N67 CarbonylContact C-O 3.38Å; C7-N67 WeakPolarHBondContact CA-O 3.37Å; Y8-N67 PolarHBondContact N-O 2.94Å; N9-N67 PolarHBondContact ND2-N 2.85Å; N9-N67 WeakPolarHBondContact OD1-CB 3.24Å; N67-V69 VanDerWaalsContact C-N 3.34Å; N67-V69 WeakPolarHBondContact OD1-CB 3.29Å; N67-V69 PolarHBondContact OD1-N 3.04Å
68G89Confident74.2Confident26 Ų2692.3 Ų92.327%0.26850%0.496SS..  trans-85.1-4.117800000114.4Y8 P70Y8-G68 WeakPolarHBondContact CD2-O 3.45Å; Y8-G68 WeakPolarHBondContact CE2-O 3.49Å; G68-P70 WeakPolarHBondContact O-CD 3.14Å
69V86.1Confident71.6Confident97 Ų97101.3 Ų101.359%0.58853%0.534SS*.SBendtrans-89120.4-176.5-173.40000109.8Y8 N67Y8-V69 WeakPolarHBondContact CB-O 3.45Å; N67-V69 VanDerWaalsContact C-N 3.34Å; N67-V69 WeakPolarHBondContact OD1-CB 3.29Å; N67-V69 PolarHBondContact OD1-N 3.04Å
70P81.5Confident69.1Low76 Ų7697.8 Ų97.849%0.49453%0.53SS..PPolyproline II helixtrans-61.6136173.5-1526000110.7Y8 G68Y8-P70 HydrophobicContact CD1-CB 4.25Å; Y8-P70 HydrophobicContact CD2-CG 4.39Å; Y8-P70 HydrophobicContact CE1-CB 3.93Å; Y8-P70 HydrophobicContact CE1-CG 4.23Å; Y8-P70 HydrophobicContact CE2-CB 4.24Å; Y8-P70 HydrophobicContact CE2-CG 3.79Å; G68-P70 WeakPolarHBondContact O-CD 3.14Å
71P72Confident66.3Low88 Ų88105 Ų10557%0.57157%0.566SS**PPolyproline II helixtrans-64.2137.7173.924.3-30.8000110.7N73P71-N73 PolarHBondContact O-N 3.15Å
72D66.4Low63.9Low127 Ų127109.9 Ų109.968%0.67958%0.581SS**PPolyproline II helixtrans-73.4119.4179.4-164.1-1.8000110.3T74D72-T74 PolarHBondContact O-N 3.4Å; D72-T74 VanDerWaalsContact O-N 3.08Å; D72-T74 WeakPolarHBondContact OD1-CG2 3.47Å; D72-T74 PolarHBondContact OD1-OG1 3.07Å; D72-T74 PolarHBondContact OD2-OG1 3.26Å
73N56.2Low61.2Low158 Ų158114.5 Ų114.585%0.84561%0.609SS**THydrogen-bonded Turntrans-78.516.7-172.2-84.2-23.9000114.1P71P71-N73 PolarHBondContact O-N 3.15Å
74T42.1Very low58.3Low104 Ų104117.2 Ų117.264%0.63863%0.626SS**THydrogen-bonded Turntrans-93.43.6-167.253.60000115.7D72 K76D72-T74 PolarHBondContact O-N 3.4Å; D72-T74 VanDerWaalsContact O-N 3.08Å; D72-T74 WeakPolarHBondContact OD1-CG2 3.47Å; D72-T74 PolarHBondContact OD1-OG1 3.07Å; D72-T74 PolarHBondContact OD2-OG1 3.26Å; T74-K76 PolarHBondContact O-N 3.01Å
75V42.5Very low55.6Low129 Ų129125.5 Ų125.578%0.78266%0.659SS**  trans-94.8105.4-175.6-168.60000113.1
76K34.9Very low52.8Low188 Ų188125.9 Ų125.982%0.81767%0.674SS**  trans-44133.4166-69173.1176.8175.50112.2T74 K78T74-K76 PolarHBondContact O-N 3.01Å; K76-K78 PolarHBondContact O-N 3.33Å
77E38.1Very low50.3Low197 Ų197130.9 Ų130.992%0.92171%0.705SS**  trans-44.3105.9171.4-62.8178.5162.600111.5
78K34.9Very low47.9Very low196 Ų196132.7 Ų132.785%0.85272%0.721SS**  trans-95.1110161.9-82-174.6176.8179.60107.5K76 S80K76-K78 PolarHBondContact O-N 3.33Å; K78-S80 PolarHBondContact O-N 3.03Å
79K31.5Very low45.8Very low209 Ų209136.6 Ų136.691%0.90974%0.741SS**  trans-50.6110.1165.3-73.5177.2175.8176.60108.2D81K79-D81 PolarHBondContact O-N 3.4Å
80S37.5Very low43.5Very low88 Ų88137.6 Ų137.662%0.61575%0.749SS**  trans-76.5111.4175.959.90000109.4K78 F82K78-S80 PolarHBondContact O-N 3.03Å; S80-F82 PolarHBondContact O-N 3.04Å
81D31.2Very low41.2Very low160 Ų160140 Ų14086%0.85676%0.763SS**  trans-65.8114.2164.5-138.1-22.2000108.1K79K79-D81 PolarHBondContact O-N 3.4Å
82F42.6Very low39.8Very low161 Ų161140.5 Ų140.571%0.70677%0.766SS**  trans-116131.5168.3-84-78.3000109.4S80 T84S80-F82 PolarHBondContact O-N 3.04Å; F82-T84 PolarHBondContact O-N 3.26Å
83P34.7Very low38.3Very low119 Ų119140.7 Ų140.777%0.77377%0.772SS**  trans-71.6114-177.628.4-31.8000110K85P83-K85 PolarHBondContact O-N 2.72Å
84T32.6Very low37.5Very low133 Ų133137.8 Ų137.882%0.81676%0.76SS**  trans-64.199.8171.3-51.90000109.4F82F82-T84 PolarHBondContact O-N 3.26Å
85K37.8Very low37.3Very low183 Ų183137.4 Ų137.480%0.79676%0.761SS**  trans-67127.8154.7-80.6-174.3177.8-1790107.4P83 V87P83-K85 PolarHBondContact O-N 2.72Å; K85-V87 PolarHBondContact O-N 2.58Å
86P34.2Very low37Very low121 Ų121140 Ų14079%0.78676%0.762SS**  trans-72100.2176.428.4-29.6000108
87V40.4Very low37.2Very low124 Ų124136.2 Ų136.275%0.75276%0.756SS**PPolyproline II helixtrans-78.8124.2159.8-178.80000105.6K85K85-V87 PolarHBondContact O-N 2.58Å
88P39.4Very low37.4Very low103 Ų103133.1 Ų133.167%0.66975%0.751SS**PPolyproline II helixtrans-58.3132.717824-31.5000108.3
89P44.5Very low38.2Very low108 Ų108128 Ų12870%0.70174%0.744SS**PPolyproline II helixtrans-59.8132.817923.7-30.9000108.2T91P89-T91 PolarHBondContact O-N 2.98Å
90P38.5Very low39.6Very low117 Ų117122 Ų12276%0.7673%0.729SS**PPolyproline II helixtrans-58.3119.1162.825.5-28.9000105.5P92P90-P92 WeakPolarHBondContact O-CD 3.43Å
91T34.1Very low41Very low128 Ų128126.5 Ų126.579%0.78574%0.741SS**  trans-46.6109.2172.532.80000107.9P89 V93P89-T91 PolarHBondContact O-N 2.98Å; T91-V93 PolarHBondContact O-N 2.83Å
92P40.9Very low43.5Very low97 Ų97122.6 Ų122.663%0.6371%0.714SS**  trans-74.8117.4171.632.6-27.8000103.8P90 V94P90-P92 WeakPolarHBondContact O-CD 3.43Å; P92-V94 HydrophobicContact CB-CG2 3.59Å; P92-V94 HydrophobicContact CG-CG2 3.79Å; P92-V94 PolarHBondContact O-N 2.77Å
93V36.3Very low45.5Very low132 Ų132115.8 Ų115.880%0.869%0.686SS**  trans-66.174.1157.7-170.90000105.1T91 S95T91-V93 PolarHBondContact O-N 2.83Å; V93-S95 PolarHBondContact O-N 2.82Å
94V39.3Very low47.9Very low97 Ų97113.2 Ų113.259%0.58867%0.671SS**  trans-75.582.7165.5-173.70000104.3P92 K96P92-V94 HydrophobicContact CB-CG2 3.59Å; P92-V94 HydrophobicContact CG-CG2 3.79Å; P92-V94 PolarHBondContact O-N 2.77Å; V94-K96 PolarHBondContact O-N 3.13Å
95S37.1Very low50.4Low96 Ų96110.6 Ų110.667%0.67165%0.646SS**  trans-48.7105140.1-49.40000104.6V93 P97V93-S95 PolarHBondContact O-N 2.82Å; S95-P97 VanDerWaalsContact O-CD 3.25Å; S95-P97 WeakPolarHBondContact O-CD 3.3Å
96K35.6Very low52.6Low183 Ų183107.3 Ų107.380%0.79664%0.641SS**  trans-46.7115.9169-74.6176.4177.6176.80104.9V94 V98V94-K96 PolarHBondContact O-N 3.13Å; K96-V98 PolarHBondContact O-N 3Å
97P40.7Very low55.2Low108 Ų108104.5 Ų104.570%0.70162%0.618SS**  trans-57.5119.2167.4-9.223.1000103.1S95 A99S95-P97 VanDerWaalsContact O-CD 3.25Å; S95-P97 WeakPolarHBondContact O-CD 3.3Å; P97-A99 VanDerWaalsContact C-N 3.29Å; P97-A99 PolarHBondContact O-N 3.43Å
98V41.5Very low57.6Low133 Ų133104.1 Ų104.181%0.80662%0.618SS**  trans-51.8109.1166.1169.60000103.7K96 S100K96-V98 PolarHBondContact O-N 3Å; V98-S100 VanDerWaalsContact C-N 3.3Å; V98-S100 PolarHBondContact O-N 2.84Å
99A52.8Low60.2Low87 Ų87102.4 Ų102.472%0.71961%0.605SS**  trans-59.1104.217700000105P97 Q101P97-A99 VanDerWaalsContact C-N 3.29Å; P97-A99 PolarHBondContact O-N 3.43Å; A99-Q101 PolarHBondContact O-N 3.27Å; A99-Q101 VanDerWaalsContact O-N 3.13Å
100S59.3Low62.6Low85 Ų85102.1 Ų102.159%0.59459%0.59SS**PPolyproline II helixtrans-51.5124.8170.6-70.20000105.8V98 R102V98-S100 VanDerWaalsContact C-N 3.3Å; V98-S100 PolarHBondContact O-N 2.84Å; S100-R102 PolarHBondContact O-N 3Å
101Q68.1Low65.3Low182 Ų182101.7 Ų101.785%0.8558%0.582SS**PPolyproline II helixtrans-52.8134179.9-77-176.3-16.600108.3A99 P103A99-Q101 PolarHBondContact O-N 3.27Å; A99-Q101 VanDerWaalsContact O-N 3.13Å; Q101-P103 WeakPolarHBondContact O-CD 3.43Å; Q101-P103 VanDerWaalsContact O-N 3.14Å
102R83.4Confident68.3Low77 Ų7796.4 Ų96.429%0.29155%0.548SS..PPolyproline II helixtrans-52.1124.3177.4-176.5177.8179.3830.8107.6S100 I267 N287 L288 Y289S100-R102 PolarHBondContact O-N 3Å; R102-I267 HydrophobicContact CG-CD1 4.15Å; R102-I267 HydrophobicContact CG-CG2 4.28Å; R102-N287 PolarHBondContact NH2-OD1 3.26Å; R102-L288 PolarHBondContact NH1-O 2.69Å; R102-L288 VanDerWaalsContact NH1-O 3.13Å; R102-L288 PolarHBondContact NH2-O 3.28Å; R102-Y289 PolarHBondContact NH1-O 3.19Å
103P83.5Confident70.9Confident19 Ų1995.1 Ų95.112%0.12354%0.54CS..PPolyproline II helixtrans-55.5158.7177.8-26.134.4000111.7Q101 E107 Q266 I267 S291Q101-P103 WeakPolarHBondContact O-CD 3.43Å; Q101-P103 VanDerWaalsContact O-N 3.14Å; P103-E107 WeakPolarHBondContact CB-OE1 3.45Å; P103-Q266 HydrophobicContact CB-CB 4.09Å; P103-Q266 HydrophobicContact CG-CB 3.84Å; P103-Q266 HydrophobicContact CG-CG 4.44Å; P103-I267 HydrophobicContact CB-CG2 4.47Å; P103-I267 HydrophobicContact CG-CG2 4.24Å; P103-I267 WeakPolarHBondContact O-CD1 3.31Å; P103-S291 WeakPolarHBondContact CD-OG 3.39Å
104S85.6Confident73.8Confident65 Ų6592.1 Ų92.146%0.45552%0.519SS..PPolyproline II helixtrans-71141.9177.6176.90000111.1T106 E107S104-T106 PolarHBondContact O-N 3.05Å; S104-T106 PolarHBondContact OG-N 3.41Å; S104-T106 PolarHBondContact OG-OG1 3.19Å; S104-E107 WeakPolarHBondContact O-CG 3.49Å; S104-E107 PolarHBondContact O-N 3.15Å
105R84.6Confident76.5Confident78 Ų7892.2 Ų92.229%0.29451%0.514SS..THydrogen-bonded Turntrans-63.1-28.3174.2-68.6-177.871.2-174.20.2112.3E107 N265 I267 V268R105-E107 PolarHBondContact O-N 2.88Å; R105-N265 PolarHBondContact O-ND2 3.15Å; R105-I267 HydrophobicContact CB-CD1 4.39Å; R105-I267 HydrophobicContact CG-CD1 3.59Å; R105-V268 HydrophobicContact CB-CG2 4.01Å; R105-V268 HydrophobicContact CG-CG2 4.08Å
106T85.2Confident79.4Confident113 Ų11389.2 Ų89.269%0.69349%0.491SS*.THydrogen-bonded Turntrans-83.74.6-176.6-22.10000113.2S104S104-T106 PolarHBondContact O-N 3.05Å; S104-T106 PolarHBondContact OG-N 3.41Å; S104-T106 PolarHBondContact OG-OG1 3.19Å
107E87.6Confident82.3Confident62 Ų6281.6 Ų81.629%0.2946%0.462SS..SBendtrans-57.8140.6174-78.8-177.8-17500111.2P103 S104 R105 T109 N265 Q266P103-E107 WeakPolarHBondContact CB-OE1 3.45Å; S104-E107 WeakPolarHBondContact O-CG 3.49Å; S104-E107 PolarHBondContact O-N 3.15Å; R105-E107 PolarHBondContact O-N 2.88Å; E107-T109 PolarHBondContact O-N 2.76Å; E107-N265 HydrophobicContact CB-CB 4.18Å; E107-N265 PolarHBondContact O-ND2 2.98Å; E107-Q266 PolarHBondContact OE2-NE2 3.36Å
108P91.2Very high84.8Confident117 Ų11781.5 Ų81.576%0.7646%0.462SS*.PPolyproline II helixtrans-53124.3178-25.432.8000112
109T93.9Very high87.4Confident66 Ų6679.4 Ų79.441%0.40545%0.446SS..PPolyproline II helixtrans-79.8155.8175.158.60000111.1E107 V264 N265E107-T109 PolarHBondContact O-N 2.76Å; T109-V264 WeakPolarHBondContact CA-O 3.45Å; T109-N265 HydrophobicContact CG2-CB 4.26Å
110R94.5Very high89.4Confident102 Ų10275.3 Ų75.339%0.38541%0.412SS..EExtended strand (participates in β ladder)trans-129.9149.6174.555.5-172.6108.9152.32110.8K263 V264 P294 K295R110-K263 CarbonylContact O-C 3.55Å; R110-K263 WeakPolarHBondContact O-CA 3.4Å; R110-V264 WeakPolarHBondContact CG-O 3.23Å; R110-V264 PolarHBondContact N-O 3.41Å; R110-V264 PolarHBondContact O-N 3.38Å; R110-P294 HydrophobicContact CG-CB 3.84Å; R110-K295 VanDerWaalsContact NH1-CG 3.32Å
111D96.4Very high91Very high109 Ų10979.1 Ų79.158%0.58341%0.413SS*.EExtended strand (participates in β ladder)trans-72.6135.8176.8-60.5-66.5000110.7I262 K263D111-I262 WeakPolarHBondContact CA-O 3.48Å; D111-K263 VanDerWaalsContact OD1-CE 3.31Å; D111-K263 WeakPolarHBondContact OD1-CE 3.16Å; D111-K263 WeakPolarHBondContact OD1-CG 3.24Å
112L96.1Very high92.2Very high16 Ų1673.6 Ų73.68%0.08440%0.395CS..PPolyproline II helixtrans-81.7145.3174.9-72.4-174.3000111.7L114 I262 V264 P294 V299 I308 L310L112-L114 PolarHBondContact O-N 2.71Å; L112-I262 HydrophobicContact CB-CB 4.47Å; L112-I262 HydrophobicContact CB-CG2 4.37Å; L112-I262 HydrophobicContact CD1-CG2 3.91Å; L112-I262 HydrophobicContact CG-CG2 4.33Å; L112-I262 PolarHBondContact N-O 3.26Å; L112-V264 HydrophobicContact CD1-CB 4.44Å; L112-V264 HydrophobicContact CD1-CG1 4.07Å; L112-V264 HydrophobicContact CD2-CG1 3.51Å; L112-V264 HydrophobicContact CG-CB 4.36Å; L112-V264 HydrophobicContact CG-CG1 3.7Å; L112-P294 VanDerWaalsContact CD2-O 3.27Å; L112-P294 WeakPolarHBondContact CD2-O 3.26Å; L112-V299 HydrophobicContact CB-CG2 3.77Å; L112-V299 HydrophobicContact CD1-CG2 4.02Å; L112-I308 HydrophobicContact CD1-CG2 4.24Å; L112-L310 HydrophobicContact CD1-CD2 4.05Å
113P96.4Very high92.7Very high71 Ų7170.8 Ų70.846%0.46139%0.388SS..PPolyproline II helixtrans-61.9137.317325.8-32.2000110.7S297 I298 V299P113-S297 WeakPolarHBondContact CD-O 3.37Å; P113-S297 WeakPolarHBondContact CG-O 3.42Å; P113-I298 HydrophobicContact CG-CB 4.35Å; P113-I298 HydrophobicContact CG-CG1 4.22Å; P113-V299 PolarHBondContact O-N 3.46Å
114L96.6Very high93.1Very high68 Ų6870.7 Ų70.736%0.35639%0.386SS..EExtended strand (participates in β ladder)trans-111.1121.2-175.7-170.370.8000110.7L112 V116 P257 V260 V299 L301L112-L114 PolarHBondContact O-N 2.71Å; L114-V116 HydrophobicContact CD2-CG2 4.47Å; L114-V116 HydrophobicContact CG-CG2 4.48Å; L114-P257 HydrophobicContact CD2-CB 4.32Å; L114-V260 HydrophobicContact CD1-CB 4.5Å; L114-V260 HydrophobicContact CD1-CG1 3.92Å; L114-V260 HydrophobicContact CD2-CB 4.25Å; L114-V260 HydrophobicContact CD2-CG1 4.48Å; L114-V299 HydrophobicContact CD1-CB 3.77Å; L114-V299 HydrophobicContact CD1-CG1 3.56Å; L114-L301 HydrophobicContact CD1-CD1 3.83Å; L114-L301 HydrophobicContact CD1-CD2 3.99Å; L114-L301 HydrophobicContact CD1-CG 3.64Å; L114-L301 HydrophobicContact CD2-CD1 3.98Å; L114-L301 HydrophobicContact CG-CD1 4.15Å; L114-L301 HydrophobicContact CG-CG 4.28Å
115E97.1Very high93.4Very high100 Ų10074 Ų7447%0.46739%0.394SS..EExtended strand (participates in β ladder)trans-107.5123.3173.3-171.6-174.7162.400109.5I298 V299 K300 L301E115-I298 HydrophobicContact CB-CD1 4.38Å; E115-V299 PolarHBondContact N-O 3.49Å; E115-K300 HydrophobicContact CB-CG 4.31Å; E115-K300 CarbonylContact O-C 3.36Å; E115-K300 WeakPolarHBondContact O-CA 3.37Å; E115-K300 WeakPolarHBondContact OE2-CE 3.48Å; E115-L301 PolarHBondContact O-N 3.47Å
116V97.2Very high93.7Very high33 Ų3377.2 Ų77.220%0.241%0.413CS..EExtended strand (participates in β ladder)trans-104.2117.1-178.3-175.20000109.3L114 L120 R121 P257 L301L114-V116 HydrophobicContact CD2-CG2 4.47Å; L114-V116 HydrophobicContact CG-CG2 4.48Å; V116-L120 HydrophobicContact CG1-CD2 4.07Å; V116-L120 HydrophobicContact CG1-CG 4.47Å; V116-R121 HydrophobicContact CG1-CG 4.05Å; V116-P257 HydrophobicContact CG1-CG 3.96Å; V116-P257 HydrophobicContact CG2-CB 3.84Å; V116-P257 HydrophobicContact CG2-CG 4.04Å; V116-L301 HydrophobicContact CG2-CD1 4.35Å
117A96.2Very high93.7Very high22 Ų2273.1 Ų73.118%0.18239%0.387CS..  trans-65.5142.1178.600000111.4N119 L120 L301 M302A117-N119 VanDerWaalsContact C-N 3.27Å; A117-N119 WeakPolarHBondContact CB-OD1 3.18Å; A117-N119 PolarHBondContact O-N 3.14Å; A117-L120 WeakPolarHBondContact O-CB 3.35Å; A117-L120 PolarHBondContact O-N 3.37Å; A117-L120 VanDerWaalsContact O-N 3.08Å; A117-L301 WeakPolarHBondContact CB-O 3.29Å; A117-L301 PolarHBondContact N-O 3.36Å; A117-M302 HydrophobicContact CB-CG 4.38Å
118P94.5Very high93.6Very high107 Ų10772.6 Ų72.670%0.69539%0.39SS*.Hα-helixtrans-57.6-37.8-178.3-26.534.3000113.8L120 R121 S122P118-L120 VanDerWaalsContact C-N 3.29Å; P118-L120 PolarHBondContact O-N 2.78Å; P118-R121 WeakPolarHBondContact O-CB 3.44Å; P118-R121 PolarHBondContact O-N 2.86Å; P118-R121 VanDerWaalsContact O-N 3.15Å; P118-S122 PolarHBondContact O-N 3.38Å
119N94.6Very high93.3Very high89 Ų8973.6 Ų73.648%0.47639%0.388SS..Hα-helixtrans-67.4-25.2179.162.3-17.8000113.6A117 A123 P303A117-N119 VanDerWaalsContact C-N 3.27Å; A117-N119 WeakPolarHBondContact CB-OD1 3.18Å; A117-N119 PolarHBondContact O-N 3.14Å; N119-A123 WeakPolarHBondContact O-CB 3.07Å; N119-A123 PolarHBondContact O-N 3.01Å; N119-A123 VanDerWaalsContact O-N 3.13Å; N119-P303 HydrophobicContact CB-CG 4.17Å; N119-P303 WeakPolarHBondContact ND2-CD 3.37Å; N119-P303 WeakPolarHBondContact OD1-CD 3.12Å
120L95.3Very high92.7Very high0 Ų073.3 Ų73.30%038%0.384CS..Hα-helixtrans-68.8-37.8172.3173.460.2000110.8V116 A117 P118 S122 A123 L124 P257 L301 P303V116-L120 HydrophobicContact CG1-CD2 4.07Å; V116-L120 HydrophobicContact CG1-CG 4.47Å; A117-L120 WeakPolarHBondContact O-CB 3.35Å; A117-L120 PolarHBondContact O-N 3.37Å; A117-L120 VanDerWaalsContact O-N 3.08Å; P118-L120 VanDerWaalsContact C-N 3.29Å; P118-L120 PolarHBondContact O-N 2.78Å; L120-S122 PolarHBondContact O-N 3.25Å; L120-A123 PolarHBondContact O-N 2.75Å; L120-L124 HydrophobicContact CD1-CD1 4.03Å; L120-L124 HydrophobicContact CD1-CG 4Å; L120-L124 HydrophobicContact CG-CD1 4.01Å; L120-L124 HydrophobicContact CG-CG 4.42Å; L120-L124 WeakPolarHBondContact O-CG 3.39Å; L120-L124 PolarHBondContact O-N 3.26Å; L120-P257 HydrophobicContact CD2-CG 4.49Å; L120-L301 HydrophobicContact CD2-CB 3.43Å; L120-L301 VanDerWaalsContact CD2-CB 3.43Å; L120-L301 HydrophobicContact CD2-CD1 4.34Å; L120-P303 HydrophobicContact CB-CG 4.32Å
121R93.3Very high91.9Very high165 Ų16574.7 Ų74.762%0.62341%0.406SS*.Hα-helixtrans-62-45.9177.8-60.5-175.3179.9-171.1-1.2111.3V116 P118 A123 L124 E125V116-R121 HydrophobicContact CG1-CG 4.05Å; P118-R121 WeakPolarHBondContact O-CB 3.44Å; P118-R121 PolarHBondContact O-N 2.86Å; P118-R121 VanDerWaalsContact O-N 3.15Å; R121-A123 VanDerWaalsContact C-N 3.35Å; R121-A123 PolarHBondContact O-N 2.72Å; R121-L124 PolarHBondContact O-N 2.8Å; R121-E125 PolarHBondContact O-N 2.81Å
122S93.5Very high91Very high67 Ų6773.7 Ų73.747%0.46941%0.407SS..Hα-helixtrans-60.9-42.5175-55.30000112.2P118 L120 L124 E125 E126P118-S122 PolarHBondContact O-N 3.38Å; L120-S122 PolarHBondContact O-N 3.25Å; S122-L124 VanDerWaalsContact C-N 3.32Å; S122-L124 PolarHBondContact O-N 3.05Å; S122-E125 PolarHBondContact O-N 3.33Å; S122-E126 PolarHBondContact O-N 2.86Å
123A93.1Very high89.9Confident17 Ų1774.9 Ų74.914%0.1441%0.412CS..Hα-helixtrans-64.2-35177.900000113.1N119 L120 R121 L127 P303N119-A123 WeakPolarHBondContact O-CB 3.07Å; N119-A123 PolarHBondContact O-N 3.01Å; N119-A123 VanDerWaalsContact O-N 3.13Å; L120-A123 PolarHBondContact O-N 2.75Å; R121-A123 VanDerWaalsContact C-N 3.35Å; R121-A123 PolarHBondContact O-N 2.72Å; A123-L127 WeakPolarHBondContact O-CB 3.47Å; A123-L127 PolarHBondContact O-N 2.95Å; A123-P303 HydrophobicContact CB-CB 4.44Å
124L92.8Very high89Confident17 Ų1777.7 Ų77.79%0.08942%0.417CS..Hα-helixtrans-72.7-36.4175.6-69.5168.6000112.1L120 R121 S122 L127 S128 N254 W256 P257L120-L124 HydrophobicContact CD1-CD1 4.03Å; L120-L124 HydrophobicContact CD1-CG 4Å; L120-L124 HydrophobicContact CG-CD1 4.01Å; L120-L124 HydrophobicContact CG-CG 4.42Å; L120-L124 WeakPolarHBondContact O-CG 3.39Å; L120-L124 PolarHBondContact O-N 3.26Å; R121-L124 PolarHBondContact O-N 2.8Å; S122-L124 VanDerWaalsContact C-N 3.32Å; S122-L124 PolarHBondContact O-N 3.05Å; L124-L127 WeakPolarHBondContact O-CB 3.5Å; L124-L127 PolarHBondContact O-N 2.71Å; L124-S128 PolarHBondContact O-N 2.93Å; L124-N254 HydrophobicContact CD2-CB 3.96Å; L124-W256 HydrophobicContact CB-CZ3 4.42Å; L124-W256 HydrophobicContact CD2-CD2 3.93Å; L124-W256 HydrophobicContact CD2-CE3 3.92Å; L124-W256 HydrophobicContact CD2-CH2 3.99Å; L124-W256 HydrophobicContact CD2-CZ2 4Å; L124-W256 HydrophobicContact CD2-CZ3 3.96Å; L124-P257 HydrophobicContact CD1-CG 4.25Å
125E91.4Very high87.8Confident135 Ų13578.8 Ų78.863%0.63143%0.428SS*.Hα-helixtrans-63.1-46.2174-172.7170.3-158.900110.8R121 S122 L127 S128 L129R121-E125 PolarHBondContact O-N 2.81Å; S122-E125 PolarHBondContact O-N 3.33Å; E125-L127 VanDerWaalsContact C-N 3.28Å; E125-L127 PolarHBondContact O-N 2.82Å; E125-S128 PolarHBondContact O-N 2.96Å; E125-S128 VanDerWaalsContact O-N 3.11Å; E125-S128 PolarHBondContact O-OG 3.09Å; E125-L129 PolarHBondContact O-N 2.97Å
126E90.2Very high86.4Confident145 Ų14576.9 Ų76.968%0.67842%0.421SS*.Hα-helixtrans-58.3-40.5171.8-72.6-178.8175.800111.9S122 S128 L129S122-E126 PolarHBondContact O-N 2.86Å; E126-S128 VanDerWaalsContact C-N 3.28Å; E126-S128 PolarHBondContact O-N 3.4Å; E126-L129 WeakPolarHBondContact O-CB 3.45Å; E126-L129 PolarHBondContact O-N 2.77Å
127L85.8Confident84.4Confident28 Ų2883.5 Ų83.515%0.14745%0.45CS..Hα-helixtrans-62.7-35.4176.8-13776.2000112.7A123 L124 E125 L129 D130 N254 W256 L277A123-L127 WeakPolarHBondContact O-CB 3.47Å; A123-L127 PolarHBondContact O-N 2.95Å; L124-L127 WeakPolarHBondContact O-CB 3.5Å; L124-L127 PolarHBondContact O-N 2.71Å; E125-L127 VanDerWaalsContact C-N 3.28Å; E125-L127 PolarHBondContact O-N 2.82Å; L127-L129 PolarHBondContact O-N 3.48Å; L127-D130 WeakPolarHBondContact O-CB 3.33Å; L127-D130 PolarHBondContact O-N 2.78Å; L127-N254 WeakPolarHBondContact CD1-ND2 3.32Å; L127-N254 HydrophobicContact CD2-CB 3.96Å; L127-W256 HydrophobicContact CD2-CZ2 4.08Å; L127-L277 HydrophobicContact CD1-CG 4.34Å; L127-L277 HydrophobicContact CD2-CD2 4Å; L127-L277 HydrophobicContact CD2-CG 3.93Å; L127-L277 HydrophobicContact CG-CD2 3.68Å; L127-L277 HydrophobicContact CG-CG 3.81Å; L127-L277 WeakPolarHBondContact O-CD2 3.46Å
128S84.5Confident81.8Confident51 Ų5189.5 Ų89.536%0.35748%0.479SS..Hα-helixtrans-70.7-15.5-179.674.50000113.7L124 E125 E126L124-S128 PolarHBondContact O-N 2.93Å; E125-S128 PolarHBondContact O-N 2.96Å; E125-S128 VanDerWaalsContact O-N 3.11Å; E125-S128 PolarHBondContact O-OG 3.09Å; E126-S128 VanDerWaalsContact C-N 3.28Å; E126-S128 PolarHBondContact O-N 3.4Å
129L86.3Confident78.7Confident138 Ų13889.9 Ų89.972%0.72348%0.484SS*.THydrogen-bonded Turntrans-83.9-10.8174.5-59175.9000112.9E125 E126 L127E125-L129 PolarHBondContact O-N 2.97Å; E126-L129 WeakPolarHBondContact O-CB 3.45Å; E126-L129 PolarHBondContact O-N 2.77Å; L127-L129 PolarHBondContact O-N 3.48Å
130D81.6Confident75.5Confident60 Ų6091.7 Ų91.732%0.32150%0.499SS..SBendtrans-64.6130176.8-166.8-64.1000109.8L127 S132 F133 L277L127-D130 WeakPolarHBondContact O-CB 3.33Å; L127-D130 PolarHBondContact O-N 2.78Å; D130-S132 PolarHBondContact O-N 3.09Å; D130-S132 WeakPolarHBondContact OD1-CA 3.48Å; D130-S132 WeakPolarHBondContact OD1-CB 3.38Å; D130-S132 PolarHBondContact OD1-N 2.67Å; D130-S132 PolarHBondContact OD1-OG 3.13Å; D130-F133 HydrophobicContact CB-CB 4.49Å; D130-F133 WeakPolarHBondContact O-CB 3.38Å; D130-F133 PolarHBondContact O-N 2.76Å; D130-L277 HydrophobicContact CB-CD1 4.1Å; D130-L277 HydrophobicContact CB-CD2 3.85Å
131P77.4Confident72.5Confident131 Ų13197.7 Ų97.785%0.85154%0.535SS*.THydrogen-bonded Turntrans-57.2-22178.2-24.933.7000114.4F133P131-F133 VanDerWaalsContact C-N 3.33Å
132S76.2Confident69.5Low87 Ų8796.4 Ų96.461%0.60854%0.536SS*.THydrogen-bonded Turntrans-83.3-10.3178.4-39.90000112.7D130 K134D130-S132 PolarHBondContact O-N 3.09Å; D130-S132 WeakPolarHBondContact OD1-CA 3.48Å; D130-S132 WeakPolarHBondContact OD1-CB 3.38Å; D130-S132 PolarHBondContact OD1-N 2.67Å; D130-S132 PolarHBondContact OD1-OG 3.13Å; S132-K134 PolarHBondContact O-N 3.34Å
133F74.9Confident66.5Low42 Ų42100.6 Ų100.618%0.18455%0.553CS.*  trans-64.7130.2-178.3-178.4-111.5000111.2D130 P131 P135 W256 L277 Y279D130-F133 HydrophobicContact CB-CB 4.49Å; D130-F133 WeakPolarHBondContact O-CB 3.38Å; D130-F133 PolarHBondContact O-N 2.76Å; P131-F133 VanDerWaalsContact C-N 3.33Å; F133-P135 HydrophobicContact CE1-CB 4.43Å; F133-P135 HydrophobicContact CE1-CG 4.09Å; F133-W256 HydrophobicContact CD2-CH2 4.45Å; F133-W256 HydrophobicContact CD2-CZ2 4.37Å; F133-W256 AromaticContact CE2-CH2 3.38Å; F133-W256 HydrophobicContact CE2-CH2 3.38Å; F133-W256 AromaticContact CE2-CZ2 3.48Å; F133-W256 HydrophobicContact CE2-CZ2 3.48Å; F133-W256 VanDerWaalsContact CE2-CZ2 3.48Å; F133-W256 HydrophobicContact CE2-CZ3 4.44Å; F133-W256 AromaticContact CZ-CH2 3.66Å; F133-W256 HydrophobicContact CZ-CH2 3.66Å; F133-W256 HydrophobicContact CZ-CZ2 4.21Å; F133-W256 HydrophobicContact CZ-CZ3 4.39Å; F133-L277 HydrophobicContact CB-CD2 3.99Å; F133-L277 HydrophobicContact CD2-CD2 3.93Å; F133-L277 HydrophobicContact CG-CD2 4.45Å; F133-Y279 HydrophobicContact CE2-CE2 4.4Å; F133-Y279 VanDerWaalsContact CE2-OH 3.29Å; F133-Y279 WeakPolarHBondContact CE2-OH 3.35Å
134K76.7Confident63.9Low129 Ų129107 Ų10756%0.56158%0.578SS**  trans-122.4119.6171.9-67.8-176.3-177.6-179.50107.8S132 S149 Y279S132-K134 PolarHBondContact O-N 3.34Å; K134-S149 PolarHBondContact NZ-OG 3.18Å; K134-S149 VanDerWaalsContact NZ-OG 3.11Å; K134-Y279 WeakPolarHBondContact O-CE2 3.15Å
135P70.6Confident61.9Low92 Ų92116.6 Ų116.660%0.59762%0.619SS**  trans-56.1142.5-179.3-23.531.5000112F133 Q137F133-P135 HydrophobicContact CE1-CB 4.43Å; F133-P135 HydrophobicContact CE1-CG 4.09Å; P135-Q137 PolarHBondContact O-N 3.43Å
136L67.8Low60.2Low60 Ų60112.8 Ų112.831%0.31462%0.615SS.*  trans-61.195.2172.1-158.188.7000109.1N138 E258 T259 K274 Y279L136-N138 PolarHBondContact O-N 2.86Å; L136-E258 HydrophobicContact CD2-CG 4.46Å; L136-T259 HydrophobicContact CD1-CG2 4.49Å; L136-T259 HydrophobicContact CD2-CG2 3.58Å; L136-K274 HydrophobicContact CD1-CD 4.26Å; L136-Y279 HydrophobicContact CB-CE1 3.87Å; L136-Y279 HydrophobicContact CD1-CD1 3.21Å; L136-Y279 HydrophobicContact CD1-CD2 4.21Å; L136-Y279 HydrophobicContact CD1-CE1 3.25Å; L136-Y279 HydrophobicContact CD1-CE2 4.25Å; L136-Y279 HydrophobicContact CD1-CG 3.7Å; L136-Y279 HydrophobicContact CG-CD1 4.47Å; L136-Y279 HydrophobicContact CG-CE1 4.1Å; L136-Y279 PolarHBondContact N-OH 3.38Å
137Q56.7Low59.2Low171 Ų171110 Ų11080%0.79961%0.612SS**  trans-73.7127.3174.8-76.8-179.2-13.500109.1P135 S139P135-Q137 PolarHBondContact O-N 3.43Å; Q137-S139 PolarHBondContact O-N 2.9Å; Q137-S139 VanDerWaalsContact O-N 3.16Å
138N39.8Very low58.6Low149 Ų149110.1 Ų110.180%0.79762%0.615SS**  trans-57.1119.7164.2-77.5-17.4000107.6L136 T140L136-N138 PolarHBondContact O-N 2.86Å; N138-T140 PolarHBondContact O-N 2.8Å
139S31.2Very low58.4Low114 Ų114110.2 Ų110.280%0.79762%0.615SS**  trans-6280.8-180-49.20000111.6Q137Q137-S139 PolarHBondContact O-N 2.9Å; Q137-S139 VanDerWaalsContact O-N 3.16Å
140T26.3Very low58.2Low128 Ų128110 Ų11079%0.78561%0.614SS**  trans-70115.3135.214.20000105.5N138 E142N138-T140 PolarHBondContact O-N 2.8Å; T140-E142 PolarHBondContact O-N 2.92Å
141V33.1Very low58.3Low125 Ų125109.2 Ų109.276%0.75862%0.621SS**  trans-60.878.3175-176.40000108.7N143V141-N143 VanDerWaalsContact C-N 3.31Å; V141-N143 HydrophobicContact CG1-CB 4.48Å; V141-N143 PolarHBondContact O-N 2.77Å
142E28.6Very low58.7Low138 Ų138104.3 Ų104.365%0.64559%0.588SS**  trans-80.294.2154.7-79.8-147174.100106.7T140 K144T140-E142 PolarHBondContact O-N 2.92Å; E142-K144 PolarHBondContact O-N 3.25Å; E142-K144 IonicContact OE1-NZ 3.89Å; E142-K144 IonicContact OE2-NZ 2.83Å; E142-K144 PolarHBondContact OE2-NZ 2.99Å
143N32.3Very low59.4Low156 Ų156104.9 Ų104.983%0.83458%0.584SS**  trans-64.861.1164-128.4-17.4000109.6V141V141-N143 VanDerWaalsContact C-N 3.31Å; V141-N143 HydrophobicContact CG1-CB 4.48Å; V141-N143 PolarHBondContact O-N 2.77Å
144K37.9Very low60.1Low151 Ų151103.3 Ų103.366%0.65758%0.579SS**  trans-102.3114.1162.3-80.7178.3-172.5140.70106.1E142 G146E142-K144 PolarHBondContact O-N 3.25Å; E142-K144 IonicContact OE1-NZ 3.89Å; E142-K144 IonicContact OE2-NZ 2.83Å; E142-K144 PolarHBondContact OE2-NZ 2.99Å; K144-G146 PolarHBondContact O-N 2.8Å
145K50.3Low60.8Low219 Ų219102.5 Ų102.595%0.95257%0.572SS**  trans-56.277155.7-75.8-177.7173.6-175.90107.8S147K145-S147 PolarHBondContact O-N 2.79Å
146G55.3Low61.7Low54 Ų5498.3 Ų98.356%0.55755%0.545SS*.PPolyproline II helixtrans-71.3124.9177.200000107.8K144K144-G146 PolarHBondContact O-N 2.8Å
147S69.3Low62.8Low86 Ų8696.4 Ų96.460%0.60154%0.535SS*.PPolyproline II helixtrans-49.1134.4172.1-167.50000109.5K145 Y163K145-S147 PolarHBondContact O-N 2.79Å; S147-Y163 PolarHBondContact OG-OH 2.79Å; S147-Y163 VanDerWaalsContact OG-OH 3.06Å
148P74.6Confident64.3Low32 Ų3290 Ų9021%0.20851%0.51CS..PPolyproline II helixtrans-57.2147.717822.2-31000110.7T152 Y163 W215P148-T152 HydrophobicContact CB-CG2 4.32Å; P148-Y163 HydrophobicContact CB-CD1 4.1Å; P148-Y163 HydrophobicContact CB-CE1 4.36Å; P148-Y163 HydrophobicContact CB-CG 4.3Å; P148-Y163 HydrophobicContact CG-CD1 3.76Å; P148-Y163 HydrophobicContact CG-CD2 3.81Å; P148-Y163 HydrophobicContact CG-CE1 3.69Å; P148-Y163 HydrophobicContact CG-CE2 3.73Å; P148-Y163 HydrophobicContact CG-CG 3.81Å; P148-Y163 WeakPolarHBondContact O-CD1 3.17Å; P148-Y163 WeakPolarHBondContact O-CE1 3.41Å; P148-W215 HydrophobicContact CB-CB 3.62Å; P148-W215 HydrophobicContact CB-CG 4.27Å; P148-W215 HydrophobicContact CG-CB 3.55Å; P148-W215 HydrophobicContact CG-CG 3.73Å
149S79.6Confident66.8Low53 Ų5383.9 Ų83.937%0.37148%0.478SS..PPolyproline II helixtrans-63.9143.8176.634.20000110.5K134 G151 T152K134-S149 PolarHBondContact NZ-OG 3.18Å; K134-S149 VanDerWaalsContact NZ-OG 3.11Å; S149-G151 PolarHBondContact O-N 2.88Å; S149-T152 PolarHBondContact N-OG1 2.88Å; S149-T152 VanDerWaalsContact O-CB 3.3Å; S149-T152 WeakPolarHBondContact O-CB 3.42Å; S149-T152 PolarHBondContact O-N 2.84Å; S149-T152 VanDerWaalsContact O-N 3.08Å; S149-T152 PolarHBondContact O-OG1 2.8Å; S149-T152 PolarHBondContact OG-OG1 3.19Å; S149-T152 VanDerWaalsContact OG-OG1 3.13Å
150L81.9Confident69.6Low132 Ų13285.9 Ų85.969%0.69147%0.472SS*.THydrogen-bonded Turntrans-53.7135.5170.6-65.8175.2000109.6Y163 T164L150-Y163 HydrophobicContact CD2-CD1 4.46Å; L150-Y163 HydrophobicContact CD2-CE1 4.47Å; L150-T164 WeakPolarHBondContact CD2-O 3.4Å
151G84Confident72.6Confident45 Ų4584.9 Ų84.946%0.46446%0.459SS..THydrogen-bonded Turntrans91.3-2.6-174.100000115.1S149 N153 V162 Y163S149-G151 PolarHBondContact O-N 2.88Å; G151-N153 PolarHBondContact O-N 2.89Å; G151-V162 WeakPolarHBondContact O-CG1 3.28Å; G151-Y163 PolarHBondContact N-O 3.14Å
152T85.2Confident75.4Confident28 Ų2881.5 Ų81.517%0.17244%0.438CS..PPolyproline II helixtrans-68.4123.9179.8-57.20000111.2P148 S149 Y163 W215P148-T152 HydrophobicContact CB-CG2 4.32Å; S149-T152 PolarHBondContact N-OG1 2.88Å; S149-T152 VanDerWaalsContact O-CB 3.3Å; S149-T152 WeakPolarHBondContact O-CB 3.42Å; S149-T152 PolarHBondContact O-N 2.84Å; S149-T152 VanDerWaalsContact O-N 3.08Å; S149-T152 PolarHBondContact O-OG1 2.8Å; S149-T152 PolarHBondContact OG-OG1 3.19Å; S149-T152 VanDerWaalsContact OG-OG1 3.13Å; T152-Y163 VanDerWaalsContact O-CB 3.29Å; T152-Y163 WeakPolarHBondContact O-CB 3.19Å; T152-Y163 PolarHBondContact O-N 3.25Å; T152-W215 HydrophobicContact CG2-CB 4.41Å
153N91.1Very high78.2Confident98 Ų9875.3 Ų75.352%0.52441%0.409SS..BIsolated β-bridgetrans-70.8148174.3-62.889000112.2G151 R155G151-N153 PolarHBondContact O-N 2.89Å; N153-R155 PolarHBondContact O-N 3.11Å
154C90.9Very high80.9Confident10 Ų1072.9 Ų72.97%0.06840%0.4CS..PPolyproline II helixtrans-62.3133.3169.2-1720000110C159 Q161 H213 N214 W215C154-C159 HydrophobicContact CB-CB 4Å; C154-Q161 PolarHBondContact N-O 3.42Å; C154-H213 PolarHBondContact SG-ND1 3.34Å; C154-H213 VanDerWaalsContact SG-ND1 3.44Å; C154-N214 CarbonylContact C-O 3.59Å; C154-N214 WeakPolarHBondContact CA-O 3.24Å; C154-N214 PolarHBondContact SG-N 2.96Å; C154-N214 PolarHBondContact SG-O 3.25Å; C154-W215 HydrophobicContact CB-CE3 4.1Å; C154-W215 HydrophobicContact CB-CH2 4.33Å; C154-W215 HydrophobicContact CB-CZ3 3.68Å
155R89.6Confident83.1Confident112 Ų11266.5 Ų66.542%0.42338%0.377SS..  trans-91.1-0.2-178.9-73.3-171.2162.7125.9-13.4114.1N153 N214 W215 A220 N224N153-R155 PolarHBondContact O-N 3.11Å; R155-N214 PolarHBondContact N-O 3.46Å; R155-W215 PolarHBondContact NH1-O 2.85Å; R155-A220 HydrophobicContact CB-CB 3.67Å; R155-N224 PolarHBondContact O-ND2 3.39Å
156N90.5Very high84.6Confident4 Ų461.1 Ų61.12%0.02136%0.363CS..SBendtrans-69.7135.7167.6-68.7-14.3000109.2C159 C173 Y175 R212 N214 T223N156-C159 HydrophobicContact CB-CB 4.2Å; N156-C159 WeakPolarHBondContact O-CB 3.21Å; N156-C159 PolarHBondContact O-N 3.05Å; N156-C173 PolarHBondContact ND2-SG 3.5Å; N156-Y175 HydrophobicContact CB-CD1 4.32Å; N156-Y175 HydrophobicContact CB-CD2 4.21Å; N156-Y175 HydrophobicContact CB-CG 3.79Å; N156-R212 PolarHBondContact ND2-O 2.97Å; N156-N214 PolarHBondContact ND2-ND2 2.81Å; N156-N214 PolarHBondContact OD1-ND2 2.94Å; N156-T223 PolarHBondContact OD1-OG1 2.82Å
157T90Very high85.7Confident19 Ų1964.4 Ų64.412%0.11737%0.368CS..THydrogen-bonded Turntrans-54.2143.6179.2510000111.5C159 Y175 H176 W189 N224T157-C159 PolarHBondContact O-N 3.36Å; T157-Y175 WeakPolarHBondContact O-CA 3.48Å; T157-Y175 WeakPolarHBondContact O-CB 3.32Å; T157-H176 VanDerWaalsContact OG1-C 3.29Å; T157-H176 WeakPolarHBondContact OG1-CA 3.05Å; T157-H176 WeakPolarHBondContact OG1-CB 3.45Å; T157-H176 PolarHBondContact OG1-N 3.05Å; T157-H176 PolarHBondContact OG1-O 3.42Å; T157-W189 HydrophobicContact CG2-CH2 3.75Å; T157-W189 HydrophobicContact CG2-CZ3 3.8Å; T157-N224 WeakPolarHBondContact CG2-ND2 3.42Å
158S89.2Confident86.2Confident38 Ų3861.3 Ų61.327%0.26635%0.346SS..THydrogen-bonded Turntrans58-7.7-176.372.10000117.4H176 Q205 G207S158-H176 PolarHBondContact OG-CD2 3.47Å; S158-Q205 VanDerWaalsContact CB-O 3.32Å; S158-Q205 WeakPolarHBondContact CB-O 3.23Å; S158-G207 WeakPolarHBondContact OG-CA 3.49Å; S158-G207 PolarHBondContact OG-N 3.14Å
159C92.1Very high86.3Confident19 Ų1963 Ų6313%0.12835%0.353CS..  trans-73.2131.7172.7-168.50000110.7C154 N156 T157 H213C154-C159 HydrophobicContact CB-CB 4Å; N156-C159 HydrophobicContact CB-CB 4.2Å; N156-C159 WeakPolarHBondContact O-CB 3.21Å; N156-C159 PolarHBondContact O-N 3.05Å; T157-C159 PolarHBondContact O-N 3.36Å; C159-H213 PolarHBondContact SG-CE1 3.16Å; C159-H213 PolarHBondContact SG-ND1 3.03Å; C159-H213 VanDerWaalsContact SG-ND1 3.39Å
160K89.7Confident86.3Confident156 Ų15666.5 Ų66.568%0.67837%0.368SS*.  trans-111.58.7-179.4-61.9-178.6-177.9178.50113.3
161Q90.6Very high86.4Confident108 Ų10861.8 Ų61.851%0.50535%0.351SS..  trans-69.7148-179.8-74-62.9-4.100111.7C154 H213 W215C154-Q161 PolarHBondContact N-O 3.42Å; Q161-H213 VanDerWaalsContact CB-CE1 3.47Å; Q161-H213 WeakPolarHBondContact CB-CE1 3.42Å; Q161-H213 WeakPolarHBondContact CG-CE1 3.31Å; Q161-W215 HydrophobicContact CB-CH2 4.3Å
162V90.5Very high86.7Confident53 Ų5365.4 Ų65.432%0.32136%0.359SS..BIsolated β-bridgetrans-119.4133.5-178.6-178.60000108.1G151 T164G151-V162 WeakPolarHBondContact O-CG1 3.28Å; V162-T164 PolarHBondContact O-N 3.05Å
163Y88.6Confident87.1Confident8 Ų864.1 Ų64.13%0.03135%0.351CS..  trans-69.4113.6178.3-172.7-104000110.4S147 P148 L150 G151 T152 G165 T166 W215S147-Y163 PolarHBondContact OG-OH 2.79Å; S147-Y163 VanDerWaalsContact OG-OH 3.06Å; P148-Y163 HydrophobicContact CB-CD1 4.1Å; P148-Y163 HydrophobicContact CB-CE1 4.36Å; P148-Y163 HydrophobicContact CB-CG 4.3Å; P148-Y163 HydrophobicContact CG-CD1 3.76Å; P148-Y163 HydrophobicContact CG-CD2 3.81Å; P148-Y163 HydrophobicContact CG-CE1 3.69Å; P148-Y163 HydrophobicContact CG-CE2 3.73Å; P148-Y163 HydrophobicContact CG-CG 3.81Å; P148-Y163 WeakPolarHBondContact O-CD1 3.17Å; P148-Y163 WeakPolarHBondContact O-CE1 3.41Å; L150-Y163 HydrophobicContact CD2-CD1 4.46Å; L150-Y163 HydrophobicContact CD2-CE1 4.47Å; G151-Y163 PolarHBondContact N-O 3.14Å; T152-Y163 VanDerWaalsContact O-CB 3.29Å; T152-Y163 WeakPolarHBondContact O-CB 3.19Å; T152-Y163 PolarHBondContact O-N 3.25Å; Y163-G165 WeakPolarHBondContact CE2-O 3.32Å; Y163-T166 PolarHBondContact OH-N 2.77Å; Y163-W215 AromaticContact CD2-CD2 3.87Å; Y163-W215 HydrophobicContact CD2-CD2 3.87Å; Y163-W215 AromaticContact CD2-CE2 3.55Å; Y163-W215 HydrophobicContact CD2-CE3 4.45Å; Y163-W215 HydrophobicContact CD2-CG 4.18Å; Y163-W215 HydrophobicContact CD2-CH2 4.44Å; Y163-W215 AromaticContact CD2-CZ2 3.85Å; Y163-W215 HydrophobicContact CD2-CZ2 3.85Å; Y163-W215 AromaticContact CD2-NE1 3.66Å; Y163-W215 HydrophobicContact CG-CD2 4.32Å
164T87.5Confident87.2Confident105 Ų10562.4 Ų62.464%0.64434%0.342SS*.  trans-111.29.4175.960.50000112.4L150 V162 S168L150-T164 WeakPolarHBondContact CD2-O 3.4Å; V162-T164 PolarHBondContact O-N 3.05Å; T164-S168 PolarHBondContact N-OG 3.28Å; T164-S168 PolarHBondContact OG1-OG 3.44Å
165G84.9Confident87.3Confident17 Ų1763 Ų6318%0.17534%0.342CS..SBendtrans130.9-176.9-175.700000111.2Y163 D167 S168Y163-G165 WeakPolarHBondContact CE2-O 3.32Å; G165-D167 PolarHBondContact O-N 3.19Å; G165-S168 WeakPolarHBondContact O-CB 3.36Å; G165-S168 PolarHBondContact O-N 2.77Å; G165-S168 PolarHBondContact O-OG 2.74Å
166T81.9Confident87.5Confident106 Ų10657.7 Ų57.765%0.6532%0.323SS*.G310 helixtrans-60-20.3-178.252.60000113.7Y163 S168 D169Y163-T166 PolarHBondContact OH-N 2.77Å; T166-S168 VanDerWaalsContact C-N 3.27Å; T166-S168 PolarHBondContact O-N 2.99Å; T166-D169 WeakPolarHBondContact O-CB 3.24Å; T166-D169 PolarHBondContact O-N 3.39Å
167D78.3Confident87.6Confident124 Ų12459.4 Ų59.466%0.66333%0.334SS*.G310 helixtrans-70.4-25.7177.4-148.326.6000112.5G165 D169 N170G165-D167 PolarHBondContact O-N 3.19Å; D167-D169 PolarHBondContact O-N 3.05Å; D167-N170 WeakPolarHBondContact O-CB 3.31Å; D167-N170 PolarHBondContact O-N 2.92Å; D167-N170 PolarHBondContact OD1-ND2 2.75Å; D167-N170 VanDerWaalsContact OD1-ND2 3.12Å
168S79.2Confident87.6Confident20 Ų2058.8 Ų58.814%0.1433%0.331CS..G310 helixtrans-65.5-19173.8-52.30000113T164 G165 T166 N170 G171 H213T164-S168 PolarHBondContact N-OG 3.28Å; T164-S168 PolarHBondContact OG1-OG 3.44Å; G165-S168 WeakPolarHBondContact O-CB 3.36Å; G165-S168 PolarHBondContact O-N 2.77Å; G165-S168 PolarHBondContact O-OG 2.74Å; T166-S168 VanDerWaalsContact C-N 3.27Å; T166-S168 PolarHBondContact O-N 2.99Å; S168-N170 PolarHBondContact O-N 2.96Å; S168-G171 PolarHBondContact O-N 2.97Å; S168-H213 PolarHBondContact O-CD2 3.4Å
169D77.4Confident87.6Confident67 Ų6758.2 Ų58.236%0.35833%0.326SS..G310 helixtrans-71.9-21.3177.4-62.5-33000112.4T166 D167 G171 W215T166-D169 WeakPolarHBondContact O-CB 3.24Å; T166-D169 PolarHBondContact O-N 3.39Å; D167-D169 PolarHBondContact O-N 3.05Å; D169-G171 VanDerWaalsContact C-N 3.28Å; D169-G171 PolarHBondContact O-N 3.45Å; D169-W215 PolarHBondContact OD1-NE1 2.99Å
170N80Confident87.4Confident128 Ų12858.6 Ų58.668%0.68433%0.331SS*.G310 helixtrans-79.6-12.5-179.4-65.2-34.8000112.9D167 S168D167-N170 WeakPolarHBondContact O-CB 3.31Å; D167-N170 PolarHBondContact O-N 2.92Å; D167-N170 PolarHBondContact OD1-ND2 2.75Å; D167-N170 VanDerWaalsContact OD1-ND2 3.12Å; S168-N170 PolarHBondContact O-N 2.96Å
171G83.4Confident87.1Confident32 Ų3252.8 Ų52.833%0.3331%0.308SS..SBendtrans-67.4144.5177.600000113S168 D169 C173 H213S168-G171 PolarHBondContact O-N 2.97Å; D169-G171 VanDerWaalsContact C-N 3.28Å; D169-G171 PolarHBondContact O-N 3.45Å; G171-C173 PolarHBondContact O-N 3.26Å; G171-H213 PolarHBondContact O-CD2 3.07Å; G171-H213 PolarHBondContact O-NE2 3.4Å
172L89.6Confident87.1Confident122 Ų12253.2 Ų53.264%0.63931%0.308SS*.  trans-73.9114.7171.2-169.775.4000109.5T210L172-T210 HydrophobicContact CD1-CG2 4.04Å; L172-T210 HydrophobicContact CD2-CG2 3.78Å; L172-T210 HydrophobicContact CG-CG2 3.99Å
173C93.4Very high86.5Confident0 Ų056 Ų560%032%0.317CS..EExtended strand (participates in β ladder)trans-83.8118.6174.6-174.10000110.5N156 G171 Y175 T210 G211 H213N156-C173 PolarHBondContact ND2-SG 3.5Å; G171-C173 PolarHBondContact O-N 3.26Å; C173-Y175 HydrophobicContact CB-CD1 4.4Å; C173-T210 CarbonylContact O-C 3.43Å; C173-T210 VanDerWaalsContact O-CA 3.22Å; C173-T210 WeakPolarHBondContact O-CA 3.43Å; C173-G211 VanDerWaalsContact CB-O 3.23Å; C173-G211 WeakPolarHBondContact CB-O 3.5Å; C173-G211 PolarHBondContact N-O 3.3Å; C173-G211 PolarHBondContact O-N 3.31Å; C173-H213 VanDerWaalsContact CA-CE1 3.45Å; C173-H213 WeakPolarHBondContact CA-CE1 3.11Å; C173-H213 VanDerWaalsContact CB-CE1 3.44Å; C173-H213 WeakPolarHBondContact CB-CE1 3.49Å; C173-H213 WeakPolarHBondContact CB-ND1 3.36Å; C173-H213 PolarHBondContact SG-ND1 2.6Å
174L93.7Very high86.4Confident63 Ų6363.6 Ų63.633%0.3335%0.354SS..EExtended strand (participates in β ladder)trans-98.1121.9168.9-67.7169.1000109.6I206 T209 T210L174-I206 HydrophobicContact CB-CG1 4.32Å; L174-I206 HydrophobicContact CD1-CD1 3.65Å; L174-I206 HydrophobicContact CD1-CG1 3.98Å; L174-T209 WeakPolarHBondContact CA-O 3.45Å; L174-T210 HydrophobicContact CD2-CG2 3.36Å
175Y94.4Very high86.3Confident21 Ų2161.1 Ų61.18%0.08235%0.349CS..EExtended strand (participates in β ladder)trans-150.5172.1-17767-80.5000114.2N156 T157 C173 P177 G207 C208 T209 T223N156-Y175 HydrophobicContact CB-CD1 4.32Å; N156-Y175 HydrophobicContact CB-CD2 4.21Å; N156-Y175 HydrophobicContact CB-CG 3.79Å; T157-Y175 WeakPolarHBondContact O-CA 3.48Å; T157-Y175 WeakPolarHBondContact O-CB 3.32Å; C173-Y175 HydrophobicContact CB-CD1 4.4Å; Y175-P177 HydrophobicContact CE2-CB 4.06Å; Y175-G207 CarbonylContact O-C 3.57Å; Y175-G207 WeakPolarHBondContact O-CA 3.43Å; Y175-C208 PolarHBondContact O-N 3.05Å; Y175-C208 VanDerWaalsContact O-N 3.07Å; Y175-T209 HydrophobicContact CE1-CG2 4.32Å; Y175-T209 PolarHBondContact N-O 3.48Å; Y175-T209 PolarHBondContact O-N 2.85Å; Y175-T223 WeakPolarHBondContact CE2-O 3.33Å
176H93.7Very high86.5Confident2 Ų263.4 Ų63.41%0.00936%0.356CS..  trans-108.5106.3175.5-72-64.3000111.5T157 S158 G178 W189 C191 C192 I206 C208T157-H176 VanDerWaalsContact OG1-C 3.29Å; T157-H176 WeakPolarHBondContact OG1-CA 3.05Å; T157-H176 WeakPolarHBondContact OG1-CB 3.45Å; T157-H176 PolarHBondContact OG1-N 3.05Å; T157-H176 PolarHBondContact OG1-O 3.42Å; S158-H176 PolarHBondContact OG-CD2 3.47Å; H176-G178 PolarHBondContact O-N 3.42Å; H176-G178 VanDerWaalsContact O-N 3.16Å; H176-W189 HydrophobicContact CB-CB 4.22Å; H176-W189 HydrophobicContact CB-CD2 3.68Å; H176-W189 HydrophobicContact CB-CE3 3.95Å; H176-W189 HydrophobicContact CB-CG 3.79Å; H176-W189 AromaticContact CD2-CD1 3.32Å; H176-W189 AromaticContact CD2-CD2 3.97Å; H176-W189 AromaticContact CD2-CE2 3.68Å; H176-W189 AromaticContact CD2-CG 3.78Å; H176-W189 AromaticContact CD2-NE1 3.25Å; H176-W189 PolarHBondContact CD2-NE1 3.04Å; H176-W189 AromaticContact CE1-CD1 3.81Å; H176-W189 AromaticContact CG-CD1 3.56Å; H176-W189 AromaticContact CG-CD2 3.87Å; H176-W189 AromaticContact CG-CG 3.57Å; H176-W189 AromaticContact CG-NE1 3.86Å; H176-W189 AromaticContact ND1-CD1 3.86Å; H176-W189 AromaticContact ND1-CG 3.95Å; H176-W189 AromaticContact NE2-CD1 3.51Å; H176-W189 AromaticContact NE2-NE1 3.67Å; H176-C191 VanDerWaalsContact CB-SG 3.57Å; H176-C192 VanDerWaalsContact CE1-SG 3.53Å; H176-I206 PolarHBondContact CE1-O 2.83Å; H176-I206 PolarHBondContact NE2-O 2.8Å; H176-C208 PolarHBondContact CE1-N 3.23Å; H176-C208 PolarHBondContact ND1-N 3.26Å; H176-C208 PolarHBondContact ND1-SG 3.35Å
177P92.2Very high87Confident39 Ų3960.1 Ų60.125%0.25333%0.333SS..  trans-69-15.8-177.926-34.2000114Y175 C191 T209 T223 A225Y175-P177 HydrophobicContact CE2-CB 4.06Å; P177-C191 HydrophobicContact CG-CB 3.8Å; P177-T209 VanDerWaalsContact CD-OG1 3.26Å; P177-T209 WeakPolarHBondContact CD-OG1 3.38Å; P177-T209 HydrophobicContact CG-CG2 4.49Å; P177-T209 WeakPolarHBondContact CG-OG1 3.22Å; P177-T223 VanDerWaalsContact CA-O 3.25Å; P177-T223 WeakPolarHBondContact CA-O 3.35Å; P177-T223 WeakPolarHBondContact CB-O 3.36Å; P177-A225 WeakPolarHBondContact O-CB 3.49Å; P177-A225 PolarHBondContact O-N 3.1Å
178G90Very high87.6Confident6 Ų656.9 Ų56.96%0.06231%0.312CS..SBendtrans-80.3-170.1-179.500000114.6H176 T190 C191 T226H176-G178 PolarHBondContact O-N 3.42Å; H176-G178 VanDerWaalsContact O-N 3.16Å; G178-T190 WeakPolarHBondContact CA-OG1 3.44Å; G178-C191 PolarHBondContact N-SG 2.94Å; G178-C191 VanDerWaalsContact N-SG 3.39Å; G178-T226 PolarHBondContact O-OG1 3.18Å
179V87.9Confident88.2Confident27 Ų2757 Ų5716%0.16431%0.31CS..  trans-104.7142.7179.7-172.40000110W189 T190 A225 T226 L229V179-W189 CarbonylContact O-C 3.57Å; V179-W189 WeakPolarHBondContact O-CA 3.01Å; V179-T190 HydrophobicContact CB-CG2 4.45Å; V179-T190 PolarHBondContact N-OG1 3.25Å; V179-T190 PolarHBondContact O-N 3.47Å; V179-A225 HydrophobicContact CG2-CB 4.01Å; V179-T226 WeakPolarHBondContact CA-OG1 3.36Å; V179-L229 HydrophobicContact CG2-CD1 3.64Å
180A88.3Confident88.9Confident27 Ų2758 Ų5822%0.22332%0.318CS..EExtended strand (participates in β ladder)trans-69.5130.8171.500000110.5F182 W189 F202A180-F182 HydrophobicContact CB-CE2 3.74Å; A180-F182 HydrophobicContact CB-CZ 4.16Å; A180-W189 HydrophobicContact CB-CE3 4.04Å; A180-W189 HydrophobicContact CB-CH2 3.93Å; A180-W189 HydrophobicContact CB-CZ2 4.49Å; A180-W189 HydrophobicContact CB-CZ3 3.68Å; A180-F202 HydrophobicContact CB-CE1 4.44Å; A180-F202 HydrophobicContact CB-CZ 3.69Å
181V84.7Confident89.5Confident33 Ų3354 Ų5420%0.230%0.3CS..EExtended strand (participates in β ladder)trans-119.6127.5178.1-176.50000109.4H183 K187 Y188 T190V181-H183 HydrophobicContact CG1-CB 4.09Å; V181-K187 VanDerWaalsContact O-CA 3.31Å; V181-K187 WeakPolarHBondContact O-CA 3.16Å; V181-Y188 HydrophobicContact CB-CD1 4.18Å; V181-Y188 HydrophobicContact CB-CD2 4.3Å; V181-Y188 HydrophobicContact CB-CE1 3.79Å; V181-Y188 HydrophobicContact CB-CE2 3.91Å; V181-Y188 HydrophobicContact CB-CG 4.41Å; V181-Y188 HydrophobicContact CG1-CD1 4.48Å; V181-Y188 HydrophobicContact CG1-CE1 3.68Å; V181-Y188 HydrophobicContact CG1-CE2 4.31Å; V181-Y188 HydrophobicContact CG2-CE2 4Å; V181-Y188 PolarHBondContact N-O 2.8Å; V181-Y188 PolarHBondContact O-N 2.89Å; V181-Y188 VanDerWaalsContact O-N 3.11Å; V181-T190 HydrophobicContact CG2-CG2 3.51Å
182F89.8Confident89.8Confident117 Ų11753.7 Ų53.751%0.51329%0.292SS..EExtended strand (participates in β ladder)trans-120.985.9175.5-55.7-88000108.6A180 L186 K187 F199 F202A180-F182 HydrophobicContact CB-CE2 3.74Å; A180-F182 HydrophobicContact CB-CZ 4.16Å; F182-L186 WeakPolarHBondContact CA-O 3.47Å; F182-K187 HydrophobicContact CD1-CB 4.07Å; F182-K187 HydrophobicContact CD1-CD 3.98Å; F182-K187 HydrophobicContact CD1-CG 3.73Å; F182-K187 HydrophobicContact CE1-CB 4.14Å; F182-K187 HydrophobicContact CE1-CD 4Å; F182-K187 HydrophobicContact CE1-CG 4.08Å; F182-F199 HydrophobicContact CE1-CD2 4.04Å; F182-F199 AromaticContact CE1-CE2 3.83Å; F182-F199 HydrophobicContact CE1-CE2 3.83Å; F182-F199 HydrophobicContact CZ-CE2 4.2Å; F182-F202 HydrophobicContact CE1-CD1 4.05Å; F182-F202 AromaticContact CE1-CE1 3.95Å; F182-F202 HydrophobicContact CE1-CE1 3.95Å; F182-F202 HydrophobicContact CE1-CZ 4.45Å; F182-F202 HydrophobicContact CZ-CD1 4.15Å; F182-F202 AromaticContact CZ-CE1 3.59Å; F182-F202 HydrophobicContact CZ-CE1 3.59Å; F182-F202 HydrophobicContact CZ-CZ 4.02Å
183H78.5Confident89.6Confident111 Ų11154.1 Ų54.151%0.51430%0.295SS..EExtended strand (participates in β ladder)trans-130.5135.8-176.8-165.6-96.5000109.9V181 G185 L186V181-H183 HydrophobicContact CG1-CB 4.09Å; H183-G185 PolarHBondContact O-N 3.15Å; H183-L186 PolarHBondContact N-O 3.28Å; H183-L186 VanDerWaalsContact N-O 3.09Å; H183-L186 WeakPolarHBondContact O-CB 3.4Å; H183-L186 PolarHBondContact O-N 2.97Å
184E85.6Confident89.5Confident169 Ų16960.1 Ų60.179%0.7932%0.323SS*.THydrogen-bonded Turntrans53.837177.9-70.6165.8-174.500114.1L186E184-L186 PolarHBondContact O-N 3.26Å; E184-L186 VanDerWaalsContact O-N 3.15Å
185G86.3Confident89.4Confident53 Ų5362.2 Ų62.255%0.54633%0.33SS..THydrogen-bonded Turntrans75.8-6.7-178.800000114.8H183H183-G185 PolarHBondContact O-N 3.15Å
186L89Confident89.4Confident64 Ų6462.4 Ų62.434%0.33533%0.333SS..EExtended strand (participates in β ladder)trans-89.8147.6174.4-64.1171.8000111.3F182 H183 E184 K195 T196F182-L186 WeakPolarHBondContact CA-O 3.47Å; H183-L186 PolarHBondContact N-O 3.28Å; H183-L186 VanDerWaalsContact N-O 3.09Å; H183-L186 WeakPolarHBondContact O-CB 3.4Å; H183-L186 PolarHBondContact O-N 2.97Å; E184-L186 PolarHBondContact O-N 3.26Å; E184-L186 VanDerWaalsContact O-N 3.15Å; L186-K195 HydrophobicContact CD1-CD 4.43Å; L186-T196 CarbonylContact C-O 3.56Å
187K91.5Very high89.4Confident37 Ų3766.5 Ų66.516%0.16136%0.362CS..EExtended strand (participates in β ladder)trans-130.6125.2-177.1-45.3-177.3169.764.30108.2V181 F182 T196 S197 F199 F202V181-K187 VanDerWaalsContact O-CA 3.31Å; V181-K187 WeakPolarHBondContact O-CA 3.16Å; F182-K187 HydrophobicContact CD1-CB 4.07Å; F182-K187 HydrophobicContact CD1-CD 3.98Å; F182-K187 HydrophobicContact CD1-CG 3.73Å; F182-K187 HydrophobicContact CE1-CB 4.14Å; F182-K187 HydrophobicContact CE1-CD 4Å; F182-K187 HydrophobicContact CE1-CG 4.08Å; K187-T196 HydrophobicContact CB-CG2 4.2Å; K187-T196 WeakPolarHBondContact CB-O 3.47Å; K187-T196 PolarHBondContact N-O 2.92Å; K187-T196 WeakPolarHBondContact O-CG2 3.31Å; K187-T196 PolarHBondContact O-N 2.91Å; K187-S197 PolarHBondContact NZ-O 3.21Å; K187-F199 HydrophobicContact CD-CB 4.02Å; K187-F199 HydrophobicContact CD-CD2 3.8Å; K187-F199 HydrophobicContact CD-CG 4.39Å; K187-F202 HydrophobicContact CB-CB 3.9Å; K187-F202 HydrophobicContact CB-CD2 3.86Å; K187-F202 HydrophobicContact CB-CG 3.86Å; K187-F202 HydrophobicContact CD-CB 4.21Å
188Y92Very high89.4Confident56 Ų5668.5 Ų68.522%0.2237%0.37CS..EExtended strand (participates in β ladder)trans-162.1166.4-178.762.6-82.7000112V181 Q194 K195V181-Y188 HydrophobicContact CB-CD1 4.18Å; V181-Y188 HydrophobicContact CB-CD2 4.3Å; V181-Y188 HydrophobicContact CB-CE1 3.79Å; V181-Y188 HydrophobicContact CB-CE2 3.91Å; V181-Y188 HydrophobicContact CB-CG 4.41Å; V181-Y188 HydrophobicContact CG1-CD1 4.48Å; V181-Y188 HydrophobicContact CG1-CE1 3.68Å; V181-Y188 HydrophobicContact CG1-CE2 4.31Å; V181-Y188 HydrophobicContact CG2-CE2 4Å; V181-Y188 PolarHBondContact N-O 2.8Å; V181-Y188 PolarHBondContact O-N 2.89Å; V181-Y188 VanDerWaalsContact O-N 3.11Å; Y188-Q194 WeakPolarHBondContact CB-O 3.45Å; Y188-K195 HydrophobicContact CD1-CD 4.46Å; Y188-K195 HydrophobicContact CD1-CG 4.06Å; Y188-K195 HydrophobicContact CG-CG 3.97Å
189W92Very high89.4Confident24 Ų2472.8 Ų72.89%0.09139%0.388CS..EExtended strand (participates in β ladder)trans-98.5139.9172.2-6497.9000110.4T157 H176 V179 A180 C191 C192 F202 Q205T157-W189 HydrophobicContact CG2-CH2 3.75Å; T157-W189 HydrophobicContact CG2-CZ3 3.8Å; H176-W189 HydrophobicContact CB-CB 4.22Å; H176-W189 HydrophobicContact CB-CD2 3.68Å; H176-W189 HydrophobicContact CB-CE3 3.95Å; H176-W189 HydrophobicContact CB-CG 3.79Å; H176-W189 AromaticContact CD2-CD1 3.32Å; H176-W189 AromaticContact CD2-CD2 3.97Å; H176-W189 AromaticContact CD2-CE2 3.68Å; H176-W189 AromaticContact CD2-CG 3.78Å; H176-W189 AromaticContact CD2-NE1 3.25Å; H176-W189 PolarHBondContact CD2-NE1 3.04Å; H176-W189 AromaticContact CE1-CD1 3.81Å; H176-W189 AromaticContact CG-CD1 3.56Å; H176-W189 AromaticContact CG-CD2 3.87Å; H176-W189 AromaticContact CG-CG 3.57Å; H176-W189 AromaticContact CG-NE1 3.86Å; H176-W189 AromaticContact ND1-CD1 3.86Å; H176-W189 AromaticContact ND1-CG 3.95Å; H176-W189 AromaticContact NE2-CD1 3.51Å; H176-W189 AromaticContact NE2-NE1 3.67Å; V179-W189 CarbonylContact O-C 3.57Å; V179-W189 WeakPolarHBondContact O-CA 3.01Å; A180-W189 HydrophobicContact CB-CE3 4.04Å; A180-W189 HydrophobicContact CB-CH2 3.93Å; A180-W189 HydrophobicContact CB-CZ2 4.49Å; A180-W189 HydrophobicContact CB-CZ3 3.68Å; W189-C191 PolarHBondContact O-N 2.82Å; W189-C191 VanDerWaalsContact O-N 3.14Å; W189-C192 PolarHBondContact O-N 3.25Å; W189-F202 AromaticContact CD1-CE2 3.7Å; W189-F202 HydrophobicContact CD2-CE2 4.13Å; W189-F202 HydrophobicContact CD2-CZ 4.15Å; W189-F202 AromaticContact CE2-CE2 3.61Å; W189-F202 AromaticContact CE2-CZ 3.45Å; W189-F202 VanDerWaalsContact CE2-CZ 3.45Å; W189-F202 HydrophobicContact CG-CE2 4.18Å; W189-F202 HydrophobicContact CH2-CZ 4.17Å; W189-F202 HydrophobicContact CZ2-CE1 4.14Å; W189-F202 HydrophobicContact CZ2-CE2 4.12Å; W189-F202 AromaticContact CZ2-CZ 3.48Å; W189-F202 HydrophobicContact CZ2-CZ 3.48Å; W189-F202 VanDerWaalsContact CZ2-CZ 3.48Å; W189-F202 AromaticContact NE1-CE2 3.3Å; W189-F202 VanDerWaalsContact NE1-CE2 3.3Å; W189-F202 AromaticContact NE1-CZ 3.62Å; W189-Q205 VanDerWaalsContact CD1-OE1 3.29Å
190T90.5Very high89.6Confident86 Ų8675.9 Ų75.953%0.52840%0.403SS..THydrogen-bonded Turntrans-65.6-18.2178.8570000114.3G178 V179 V181G178-T190 WeakPolarHBondContact CA-OG1 3.44Å; V179-T190 HydrophobicContact CB-CG2 4.45Å; V179-T190 PolarHBondContact N-OG1 3.25Å; V179-T190 PolarHBondContact O-N 3.47Å; V181-T190 HydrophobicContact CG2-CG2 3.51Å
191C92.4Very high89.8Confident46 Ų4676.4 Ų76.431%0.31141%0.408SS..THydrogen-bonded Turntrans-80.3-15.5179.356.50000114.2H176 P177 G178 W189 C208H176-C191 VanDerWaalsContact CB-SG 3.57Å; P177-C191 HydrophobicContact CG-CB 3.8Å; G178-C191 PolarHBondContact N-SG 2.94Å; G178-C191 VanDerWaalsContact N-SG 3.39Å; W189-C191 PolarHBondContact O-N 2.82Å; W189-C191 VanDerWaalsContact O-N 3.14Å; C191-C208 PolarHBondContact SG-SG 3.36Å
192C91.3Very high90.3Very high24 Ų2475.2 Ų75.216%0.16240%0.4CS..SBendtrans-147.8148.7179.7660000111.1H176 W189 Q194 C208H176-C192 VanDerWaalsContact CE1-SG 3.53Å; W189-C192 PolarHBondContact O-N 3.25Å; C192-Q194 PolarHBondContact O-N 3.39Å; C192-C208 HydrophobicContact CB-CB 3.78Å
193N85.3Confident90.2Very high131 Ų13174 Ų7470%0.70140%0.398SS*.  trans-87.633.5-175.1-159.534.2000113.3K195N193-K195 PolarHBondContact O-N 3.4Å; N193-K195 WeakPolarHBondContact OD1-CE 3.37Å
194Q90.3Very high90.9Very high127 Ų12776 Ų7659%0.59341%0.405SS*.  trans-86.589.7179.5-66.8-64.7-13.700110Y188 C192 Q205Y188-Q194 WeakPolarHBondContact CB-O 3.45Å; C192-Q194 PolarHBondContact O-N 3.39Å; Q194-Q205 PolarHBondContact O-NE2 3.17Å
195K92.9Very high91.2Very high107 Ų10769.4 Ų69.447%0.46537%0.374SS..  trans-91.3140.3-179.5-61.6-178.8177.3-178.30111.5L186 Y188 N193L186-K195 HydrophobicContact CD1-CD 4.43Å; Y188-K195 HydrophobicContact CD1-CD 4.46Å; Y188-K195 HydrophobicContact CD1-CG 4.06Å; Y188-K195 HydrophobicContact CG-CG 3.97Å; N193-K195 PolarHBondContact O-N 3.4Å; N193-K195 WeakPolarHBondContact OD1-CE 3.37Å
196T93.7Very high91.5Very high24 Ų2472.9 Ų72.915%0.14738%0.379CS..BIsolated β-bridgetrans-142146.1173.4173.70000110L186 K187 D198 A201 F202L186-T196 CarbonylContact C-O 3.56Å; K187-T196 HydrophobicContact CB-CG2 4.2Å; K187-T196 WeakPolarHBondContact CB-O 3.47Å; K187-T196 PolarHBondContact N-O 2.92Å; K187-T196 WeakPolarHBondContact O-CG2 3.31Å; K187-T196 PolarHBondContact O-N 2.91Å; T196-D198 WeakPolarHBondContact CG2-O 3.4Å; T196-D198 PolarHBondContact OG1-N 2.87Å; T196-D198 PolarHBondContact OG1-O 2.89Å; T196-A201 HydrophobicContact CG2-CB 4.42Å; T196-F202 HydrophobicContact CG2-CB 3.6Å
197S92.7Very high91.7Very high89 Ų8970.2 Ų70.262%0.62237%0.367SS*.SBendtrans-83.6-22.7168.3530000112.1K187K187-S197 PolarHBondContact NZ-O 3.21Å
198D93.5Very high91.8Very high80 Ų8071.3 Ų71.343%0.42838%0.378SS..  trans-87.5133.4-178-178.2-108.6000112.2T196 D200 A201 F202T196-D198 WeakPolarHBondContact CG2-O 3.4Å; T196-D198 PolarHBondContact OG1-N 2.87Å; T196-D198 PolarHBondContact OG1-O 2.89Å; D198-D200 PolarHBondContact OD1-N 2.66Å; D198-A201 HydrophobicContact CB-CB 3.92Å; D198-A201 WeakPolarHBondContact OD1-CB 3.38Å; D198-A201 PolarHBondContact OD1-N 2.77Å; D198-F202 PolarHBondContact O-N 2.93Å
199F90.3Very high91.9Very high97 Ų9771 Ų7143%0.42538%0.382SS..Hα-helixtrans-74.3-40.2-176.5-173-108.3000112.6F182 K187 A201 F202 L203F182-F199 HydrophobicContact CE1-CD2 4.04Å; F182-F199 AromaticContact CE1-CE2 3.83Å; F182-F199 HydrophobicContact CE1-CE2 3.83Å; F182-F199 HydrophobicContact CZ-CE2 4.2Å; K187-F199 HydrophobicContact CD-CB 4.02Å; K187-F199 HydrophobicContact CD-CD2 3.8Å; K187-F199 HydrophobicContact CD-CG 4.39Å; F199-A201 VanDerWaalsContact C-N 3.33Å; F199-A201 PolarHBondContact O-N 3.19Å; F199-F202 HydrophobicContact CE2-CD1 4.46Å; F199-F202 WeakPolarHBondContact O-CB 3.5Å; F199-F202 PolarHBondContact O-N 2.85Å; F199-F202 VanDerWaalsContact O-N 3.15Å; F199-L203 HydrophobicContact CD1-CD1 3.89Å; F199-L203 HydrophobicContact CD1-CG 4.25Å; F199-L203 HydrophobicContact CE1-CD1 3.4Å; F199-L203 VanDerWaalsContact CE1-CD1 3.4Å; F199-L203 HydrophobicContact CE1-CD2 4.38Å; F199-L203 HydrophobicContact CE1-CG 3.9Å; F199-L203 HydrophobicContact CZ-CD1 3.97Å; F199-L203 HydrophobicContact CZ-CD2 4.09Å; F199-L203 HydrophobicContact CZ-CG 4.07Å; F199-L203 PolarHBondContact O-N 3.07Å
200D92.3Very high91.9Very high92 Ų9273.7 Ų73.749%0.49240%0.402SS..Hα-helixtrans-68-37.5179.4-73.7-40.6000111.2D198 F202 L203 K204D198-D200 PolarHBondContact OD1-N 2.66Å; D200-F202 VanDerWaalsContact C-N 3.32Å; D200-L203 PolarHBondContact O-N 2.88Å; D200-K204 WeakPolarHBondContact O-CB 3.37Å; D200-K204 WeakPolarHBondContact O-CD 3.28Å; D200-K204 WeakPolarHBondContact O-CG 3.46Å; D200-K204 PolarHBondContact O-N 2.87Å
201A92.5Very high91.9Very high38 Ų3870.9 Ų70.931%0.31439%0.39SS..Hα-helixtrans-60.3-42.2170.700000111.4T196 D198 F199 K204 Q205T196-A201 HydrophobicContact CG2-CB 4.42Å; D198-A201 HydrophobicContact CB-CB 3.92Å; D198-A201 WeakPolarHBondContact OD1-CB 3.38Å; D198-A201 PolarHBondContact OD1-N 2.77Å; F199-A201 VanDerWaalsContact C-N 3.33Å; F199-A201 PolarHBondContact O-N 3.19Å; A201-K204 PolarHBondContact O-N 2.89Å; A201-Q205 WeakPolarHBondContact O-CG 3.18Å; A201-Q205 PolarHBondContact O-N 2.89Å
202F93.3Very high91.9Very high8 Ų878.7 Ų78.74%0.03541%0.413CS..Hα-helixtrans-61-48.7176170.1-100.2000111.9A180 F182 K187 W189 T196 D198 F199 D200 K204 Q205A180-F202 HydrophobicContact CB-CE1 4.44Å; A180-F202 HydrophobicContact CB-CZ 3.69Å; F182-F202 HydrophobicContact CE1-CD1 4.05Å; F182-F202 AromaticContact CE1-CE1 3.95Å; F182-F202 HydrophobicContact CE1-CE1 3.95Å; F182-F202 HydrophobicContact CE1-CZ 4.45Å; F182-F202 HydrophobicContact CZ-CD1 4.15Å; F182-F202 AromaticContact CZ-CE1 3.59Å; F182-F202 HydrophobicContact CZ-CE1 3.59Å; F182-F202 HydrophobicContact CZ-CZ 4.02Å; K187-F202 HydrophobicContact CB-CB 3.9Å; K187-F202 HydrophobicContact CB-CD2 3.86Å; K187-F202 HydrophobicContact CB-CG 3.86Å; K187-F202 HydrophobicContact CD-CB 4.21Å; W189-F202 AromaticContact CD1-CE2 3.7Å; W189-F202 HydrophobicContact CD2-CE2 4.13Å; W189-F202 HydrophobicContact CD2-CZ 4.15Å; W189-F202 AromaticContact CE2-CE2 3.61Å; W189-F202 AromaticContact CE2-CZ 3.45Å; W189-F202 VanDerWaalsContact CE2-CZ 3.45Å; W189-F202 HydrophobicContact CG-CE2 4.18Å; W189-F202 HydrophobicContact CH2-CZ 4.17Å; W189-F202 HydrophobicContact CZ2-CE1 4.14Å; W189-F202 HydrophobicContact CZ2-CE2 4.12Å; W189-F202 AromaticContact CZ2-CZ 3.48Å; W189-F202 HydrophobicContact CZ2-CZ 3.48Å; W189-F202 VanDerWaalsContact CZ2-CZ 3.48Å; W189-F202 AromaticContact NE1-CE2 3.3Å; W189-F202 VanDerWaalsContact NE1-CE2 3.3Å; W189-F202 AromaticContact NE1-CZ 3.62Å; T196-F202 HydrophobicContact CG2-CB 3.6Å; D198-F202 PolarHBondContact O-N 2.93Å; F199-F202 HydrophobicContact CE2-CD1 4.46Å; F199-F202 WeakPolarHBondContact O-CB 3.5Å; F199-F202 PolarHBondContact O-N 2.85Å; F199-F202 VanDerWaalsContact O-N 3.15Å; D200-F202 VanDerWaalsContact C-N 3.32Å; F202-K204 PolarHBondContact O-N 2.98Å; F202-Q205 WeakPolarHBondContact O-CB 3.4Å; F202-Q205 WeakPolarHBondContact O-CG 3.43Å; F202-Q205 PolarHBondContact O-N 3.23Å; F202-Q205 VanDerWaalsContact O-N 3.1Å
203L89.6Confident91.9Very high90 Ų9078.1 Ų78.147%0.47141%0.408SS..Hα-helixtrans-63.6-25.4177.6-69.7-178.2000113.4F199 D200F199-L203 HydrophobicContact CD1-CD1 3.89Å; F199-L203 HydrophobicContact CD1-CG 4.25Å; F199-L203 HydrophobicContact CE1-CD1 3.4Å; F199-L203 VanDerWaalsContact CE1-CD1 3.4Å; F199-L203 HydrophobicContact CE1-CD2 4.38Å; F199-L203 HydrophobicContact CE1-CG 3.9Å; F199-L203 HydrophobicContact CZ-CD1 3.97Å; F199-L203 HydrophobicContact CZ-CD2 4.09Å; F199-L203 HydrophobicContact CZ-CG 4.07Å; F199-L203 PolarHBondContact O-N 3.07Å; D200-L203 PolarHBondContact O-N 2.88Å
204K91.8Very high92.2Very high154 Ų15472.8 Ų72.867%0.6738%0.379SS*.THydrogen-bonded Turntrans-88.3-4.3177.4-70.6169.7-173.5169.20113.5D200 A201 F202 I206D200-K204 WeakPolarHBondContact O-CB 3.37Å; D200-K204 WeakPolarHBondContact O-CD 3.28Å; D200-K204 WeakPolarHBondContact O-CG 3.46Å; D200-K204 PolarHBondContact O-N 2.87Å; A201-K204 PolarHBondContact O-N 2.89Å; F202-K204 PolarHBondContact O-N 2.98Å; K204-I206 PolarHBondContact O-N 3.25Å
205Q91.6Very high92.1Very high30 Ų3067.4 Ų67.414%0.1435%0.353CS..PPolyproline II helixtrans-60.4124.7177.3-71.5-176.7-11.600110.5S158 W189 Q194 A201 F202S158-Q205 VanDerWaalsContact CB-O 3.32Å; S158-Q205 WeakPolarHBondContact CB-O 3.23Å; W189-Q205 VanDerWaalsContact CD1-OE1 3.29Å; Q194-Q205 PolarHBondContact O-NE2 3.17Å; A201-Q205 WeakPolarHBondContact O-CG 3.18Å; A201-Q205 PolarHBondContact O-N 2.89Å; F202-Q205 WeakPolarHBondContact O-CB 3.4Å; F202-Q205 WeakPolarHBondContact O-CG 3.43Å; F202-Q205 PolarHBondContact O-N 3.23Å; F202-Q205 VanDerWaalsContact O-N 3.1Å
206I92.6Very high91.7Very high127 Ų12764.1 Ų64.165%0.65134%0.342SS*.PPolyproline II helixtrans-72.8140.8174.7-164.3167.4000109.5L174 H176 K204 C208L174-I206 HydrophobicContact CB-CG1 4.32Å; L174-I206 HydrophobicContact CD1-CD1 3.65Å; L174-I206 HydrophobicContact CD1-CG1 3.98Å; H176-I206 PolarHBondContact CE1-O 2.83Å; H176-I206 PolarHBondContact NE2-O 2.8Å; K204-I206 PolarHBondContact O-N 3.25Å; I206-C208 PolarHBondContact O-N 3.48Å
207G93.2Very high91Very high7 Ų765.1 Ų65.17%0.07235%0.349CS..PPolyproline II helixtrans-52.8138.1178.100000113.5S158 Y175 T209S158-G207 WeakPolarHBondContact OG-CA 3.49Å; S158-G207 PolarHBondContact OG-N 3.14Å; Y175-G207 CarbonylContact O-C 3.57Å; Y175-G207 WeakPolarHBondContact O-CA 3.43Å; G207-T209 VanDerWaalsContact C-N 3.33Å
208C94.1Very high90.5Very high60 Ų6067.1 Ų67.141%0.40535%0.348SS..SBendtrans-86.4-4178.764.30000113.7Y175 H176 C191 C192 I206Y175-C208 PolarHBondContact O-N 3.05Å; Y175-C208 VanDerWaalsContact O-N 3.07Å; H176-C208 PolarHBondContact CE1-N 3.23Å; H176-C208 PolarHBondContact ND1-N 3.26Å; H176-C208 PolarHBondContact ND1-SG 3.35Å; C191-C208 PolarHBondContact SG-SG 3.36Å; C192-C208 HydrophobicContact CB-CB 3.78Å; I206-C208 PolarHBondContact O-N 3.48Å
209T94Very high90Very high49 Ų4967.1 Ų67.130%0.30135%0.348SS..EExtended strand (participates in β ladder)trans-131.1144-177.5-56.20000110.1L174 Y175 P177 G207L174-T209 WeakPolarHBondContact CA-O 3.45Å; Y175-T209 HydrophobicContact CE1-CG2 4.32Å; Y175-T209 PolarHBondContact N-O 3.48Å; Y175-T209 PolarHBondContact O-N 2.85Å; P177-T209 VanDerWaalsContact CD-OG1 3.26Å; P177-T209 WeakPolarHBondContact CD-OG1 3.38Å; P177-T209 HydrophobicContact CG-CG2 4.49Å; P177-T209 WeakPolarHBondContact CG-OG1 3.22Å; G207-T209 VanDerWaalsContact C-N 3.33Å
210T92.9Very high89.8Confident82 Ų8262.5 Ų62.550%0.50333%0.328SS..EExtended strand (participates in β ladder)trans-102.5145.7175.349.70000111.3L172 C173 L174L172-T210 HydrophobicContact CD1-CG2 4.04Å; L172-T210 HydrophobicContact CD2-CG2 3.78Å; L172-T210 HydrophobicContact CG-CG2 3.99Å; C173-T210 CarbonylContact O-C 3.43Å; C173-T210 VanDerWaalsContact O-CA 3.22Å; C173-T210 WeakPolarHBondContact O-CA 3.43Å; L174-T210 HydrophobicContact CD2-CG2 3.36Å
211G90.8Very high89.4Confident27 Ų2762.3 Ų62.328%0.27832%0.322SS..EExtended strand (participates in β ladder)trans-173.5-156.6173.500000112.7C173C173-G211 VanDerWaalsContact CB-O 3.23Å; C173-G211 WeakPolarHBondContact CB-O 3.5Å; C173-G211 PolarHBondContact N-O 3.3Å; C173-G211 PolarHBondContact O-N 3.31Å
212R91.2Very high88.9Confident210 Ų21065.2 Ų65.279%0.79234%0.34SS*.  trans-87.7151.1175-65.3-176.7-177.5171.90.5110.9N156N156-R212 PolarHBondContact ND2-O 2.97Å
213H91.7Very high88.4Confident11 Ų1166.4 Ų66.45%0.05135%0.348CS..  trans-68.6135.4171.6-67.5-69.4000110.6C154 C159 Q161 S168 G171 C173 W215C154-H213 PolarHBondContact SG-ND1 3.34Å; C154-H213 VanDerWaalsContact SG-ND1 3.44Å; C159-H213 PolarHBondContact SG-CE1 3.16Å; C159-H213 PolarHBondContact SG-ND1 3.03Å; C159-H213 VanDerWaalsContact SG-ND1 3.39Å; Q161-H213 VanDerWaalsContact CB-CE1 3.47Å; Q161-H213 WeakPolarHBondContact CB-CE1 3.42Å; Q161-H213 WeakPolarHBondContact CG-CE1 3.31Å; S168-H213 PolarHBondContact O-CD2 3.4Å; G171-H213 PolarHBondContact O-CD2 3.07Å; G171-H213 PolarHBondContact O-NE2 3.4Å; C173-H213 VanDerWaalsContact CA-CE1 3.45Å; C173-H213 WeakPolarHBondContact CA-CE1 3.11Å; C173-H213 VanDerWaalsContact CB-CE1 3.44Å; C173-H213 WeakPolarHBondContact CB-CE1 3.49Å; C173-H213 WeakPolarHBondContact CB-ND1 3.36Å; C173-H213 PolarHBondContact SG-ND1 2.6Å; H213-W215 HydrophobicContact CB-CD2 4.24Å; H213-W215 HydrophobicContact CB-CH2 3.64Å; H213-W215 HydrophobicContact CB-CZ2 3.19Å; H213-W215 HydrophobicContact CB-CZ3 4.31Å; H213-W215 AromaticContact CG-CH2 3.78Å; H213-W215 AromaticContact CG-CZ2 3.69Å
214N90.7Very high88Confident20 Ų2062.4 Ų62.411%0.10733%0.328CS..  trans-108.5124.8171.5-66.1-48.7000109.4C154 R155 N156 D219 A220 T223C154-N214 CarbonylContact C-O 3.59Å; C154-N214 WeakPolarHBondContact CA-O 3.24Å; C154-N214 PolarHBondContact SG-N 2.96Å; C154-N214 PolarHBondContact SG-O 3.25Å; R155-N214 PolarHBondContact N-O 3.46Å; N156-N214 PolarHBondContact ND2-ND2 2.81Å; N156-N214 PolarHBondContact OD1-ND2 2.94Å; N214-D219 HydrophobicContact CB-CB 3.97Å; N214-D219 WeakPolarHBondContact OD1-CB 3.38Å; N214-A220 HydrophobicContact CB-CB 3.9Å; N214-T223 PolarHBondContact ND2-OG1 3.09Å
215W89.7Confident87.5Confident13 Ų1356.5 Ų56.55%0.04931%0.307CS..  trans-104.7-19.3-175.4-48.2113.2000112.4P148 T152 C154 R155 Q161 Y163 D169 H213P148-W215 HydrophobicContact CB-CB 3.62Å; P148-W215 HydrophobicContact CB-CG 4.27Å; P148-W215 HydrophobicContact CG-CB 3.55Å; P148-W215 HydrophobicContact CG-CG 3.73Å; T152-W215 HydrophobicContact CG2-CB 4.41Å; C154-W215 HydrophobicContact CB-CE3 4.1Å; C154-W215 HydrophobicContact CB-CH2 4.33Å; C154-W215 HydrophobicContact CB-CZ3 3.68Å; R155-W215 PolarHBondContact NH1-O 2.85Å; Q161-W215 HydrophobicContact CB-CH2 4.3Å; Y163-W215 AromaticContact CD2-CD2 3.87Å; Y163-W215 HydrophobicContact CD2-CD2 3.87Å; Y163-W215 AromaticContact CD2-CE2 3.55Å; Y163-W215 HydrophobicContact CD2-CE3 4.45Å; Y163-W215 HydrophobicContact CD2-CG 4.18Å; Y163-W215 HydrophobicContact CD2-CH2 4.44Å; Y163-W215 AromaticContact CD2-CZ2 3.85Å; Y163-W215 HydrophobicContact CD2-CZ2 3.85Å; Y163-W215 AromaticContact CD2-NE1 3.66Å; Y163-W215 HydrophobicContact CG-CD2 4.32Å; D169-W215 PolarHBondContact OD1-NE1 2.99Å; H213-W215 HydrophobicContact CB-CD2 4.24Å; H213-W215 HydrophobicContact CB-CH2 3.64Å; H213-W215 HydrophobicContact CB-CZ2 3.19Å; H213-W215 HydrophobicContact CB-CZ3 4.31Å; H213-W215 AromaticContact CG-CH2 3.78Å; H213-W215 AromaticContact CG-CZ2 3.69Å
216T84.1Confident86.6Confident38 Ų3856.5 Ų56.523%0.23331%0.31CS..SBendtrans-103.1158175.673.50000110.8E218 D219 A220T216-E218 VanDerWaalsContact C-N 3.27Å; T216-D219 WeakPolarHBondContact OG1-CB 3.38Å; T216-D219 PolarHBondContact OG1-N 3.06Å; T216-D219 PolarHBondContact OG1-OD2 3.27Å; T216-A220 WeakPolarHBondContact O-CB 3.4Å; T216-A220 PolarHBondContact O-N 3.46Å
217V79.5Confident85.6Confident46 Ų4652.8 Ų52.828%0.27929%0.291SS..Hα-helixtrans-66.3-39.2175.2179.70000109.2A220 K221V217-A220 PolarHBondContact O-N 2.94Å; V217-K221 WeakPolarHBondContact O-CG 3.41Å; V217-K221 PolarHBondContact O-N 2.75Å
218E80.8Confident84.4Confident130 Ų13056.3 Ų56.361%0.60731%0.311SS*.Hα-helixtrans-59.3-48.3179.7-70.262.9-138.500111.7T216 A220 K221T216-E218 VanDerWaalsContact C-N 3.27Å; E218-A220 VanDerWaalsContact C-N 3.35Å; E218-K221 PolarHBondContact O-N 2.89Å
219D84.6Confident83.1Confident81 Ų8159.4 Ų59.443%0.43332%0.323SS..Hα-helixtrans-66.8-40.1178.3-62.1-39000110.8N214 T216 K221 S222N214-D219 HydrophobicContact CB-CB 3.97Å; N214-D219 WeakPolarHBondContact OD1-CB 3.38Å; T216-D219 WeakPolarHBondContact OG1-CB 3.38Å; T216-D219 PolarHBondContact OG1-N 3.06Å; T216-D219 PolarHBondContact OG1-OD2 3.27Å; D219-K221 VanDerWaalsContact C-N 3.32Å; D219-K221 PolarHBondContact O-N 2.82Å; D219-S222 PolarHBondContact O-N 2.9Å; D219-S222 PolarHBondContact O-OG 2.94Å
220A85.9Confident81.7Confident0 Ų062.2 Ų62.20%033%0.333CS..Hα-helixtrans-66.8-29.9-179.500000112.9R155 N214 T216 V217 E218 S222 T223 N224 L227R155-A220 HydrophobicContact CB-CB 3.67Å; N214-A220 HydrophobicContact CB-CB 3.9Å; T216-A220 WeakPolarHBondContact O-CB 3.4Å; T216-A220 PolarHBondContact O-N 3.46Å; V217-A220 PolarHBondContact O-N 2.94Å; E218-A220 VanDerWaalsContact C-N 3.35Å; A220-S222 PolarHBondContact O-N 3.43Å; A220-S222 VanDerWaalsContact O-N 3.08Å; A220-T223 PolarHBondContact O-N 2.99Å; A220-T223 PolarHBondContact O-OG1 2.77Å; A220-N224 VanDerWaalsContact O-CB 3.23Å; A220-N224 WeakPolarHBondContact O-CB 3.35Å; A220-N224 PolarHBondContact O-N 3.1Å; A220-L227 HydrophobicContact CB-CD1 3.59Å
221K83.3Confident80.4Confident87 Ų8762.3 Ų62.338%0.37834%0.335SS..THydrogen-bonded Turntrans-57-24.2175.5-78.8174.3179.91750113.7V217 E218 D219 L227 T228V217-K221 WeakPolarHBondContact O-CG 3.41Å; V217-K221 PolarHBondContact O-N 2.75Å; E218-K221 PolarHBondContact O-N 2.89Å; D219-K221 VanDerWaalsContact C-N 3.32Å; D219-K221 PolarHBondContact O-N 2.82Å; K221-L227 HydrophobicContact CG-CB 4.24Å; K221-T228 PolarHBondContact O-OG1 3.37Å
222S81.6Confident79.7Confident99 Ų9963.6 Ų63.669%0.69234%0.335SS*.THydrogen-bonded Turntrans-78.9-18.817869.90000114.1D219 A220D219-S222 PolarHBondContact O-N 2.9Å; D219-S222 PolarHBondContact O-OG 2.94Å; A220-S222 PolarHBondContact O-N 3.43Å; A220-S222 VanDerWaalsContact O-N 3.08Å
223T82.9Confident79Confident33 Ų3354.6 Ų54.620%0.20231%0.306CS..THydrogen-bonded Turntrans-124.3-13.9-173.454.80000113.3N156 Y175 P177 N214 A220N156-T223 PolarHBondContact OD1-OG1 2.82Å; Y175-T223 WeakPolarHBondContact CE2-O 3.33Å; P177-T223 VanDerWaalsContact CA-O 3.25Å; P177-T223 WeakPolarHBondContact CA-O 3.35Å; P177-T223 WeakPolarHBondContact CB-O 3.36Å; N214-T223 PolarHBondContact ND2-OG1 3.09Å; A220-T223 PolarHBondContact O-N 2.99Å; A220-T223 PolarHBondContact O-OG1 2.77Å
224N81.8Confident78.5Confident7 Ų760.6 Ų60.64%0.03734%0.338CS..  trans-118.395.3-176.5-176.7-16.1000109.9R155 T157 A220 T226 L227 T228R155-N224 PolarHBondContact O-ND2 3.39Å; T157-N224 WeakPolarHBondContact CG2-ND2 3.42Å; A220-N224 VanDerWaalsContact O-CB 3.23Å; A220-N224 WeakPolarHBondContact O-CB 3.35Å; A220-N224 PolarHBondContact O-N 3.1Å; N224-T226 PolarHBondContact O-N 3.26Å; N224-T226 VanDerWaalsContact O-N 3.1Å; N224-T226 WeakPolarHBondContact OD1-CB 3.36Å; N224-T226 PolarHBondContact OD1-N 3.22Å; N224-T226 PolarHBondContact OD1-OG1 3.25Å; N224-L227 HydrophobicContact CB-CB 4.38Å; N224-L227 HydrophobicContact CB-CD1 4.08Å; N224-L227 HydrophobicContact CB-CG 4.3Å; N224-L227 PolarHBondContact O-N 3.37Å; N224-L227 PolarHBondContact OD1-N 3.15Å; N224-T228 PolarHBondContact O-N 2.92Å; N224-T228 PolarHBondContact O-OG1 2.97Å; N224-T228 VanDerWaalsContact O-OG1 3.09Å
225A80Confident78.4Confident29 Ų2960 Ų6024%0.2434%0.335CS..Hα-helixtrans-60-23.3-179.800000112.9P177 V179 T228 L229P177-A225 WeakPolarHBondContact O-CB 3.49Å; P177-A225 PolarHBondContact O-N 3.1Å; V179-A225 HydrophobicContact CG2-CB 4.01Å; A225-T228 PolarHBondContact O-N 3.35Å; A225-L229 HydrophobicContact CB-CD1 4.36Å; A225-L229 VanDerWaalsContact O-CB 3.27Å; A225-L229 WeakPolarHBondContact O-CB 3.41Å; A225-L229 VanDerWaalsContact O-CG 3.31Å; A225-L229 WeakPolarHBondContact O-CG 3.45Å; A225-L229 PolarHBondContact O-N 3.47Å
226T74Confident78.5Confident31 Ų3167.9 Ų67.919%0.1937%0.365CS..Hα-helixtrans-62.3-45.8173.5-51.70000110.6G178 V179 N224 T228 Q230G178-T226 PolarHBondContact O-OG1 3.18Å; V179-T226 WeakPolarHBondContact CA-OG1 3.36Å; N224-T226 PolarHBondContact O-N 3.26Å; N224-T226 VanDerWaalsContact O-N 3.1Å; N224-T226 WeakPolarHBondContact OD1-CB 3.36Å; N224-T226 PolarHBondContact OD1-N 3.22Å; N224-T226 PolarHBondContact OD1-OG1 3.25Å; T226-T228 VanDerWaalsContact C-N 3.35Å; T226-Q230 PolarHBondContact O-N 3.13Å
227L70.4Confident79.1Confident49 Ų4968.7 Ų68.726%0.25737%0.366SS..Hα-helixtrans-71-29.8178.3-69.7174.6000112.7A220 K221 N224A220-L227 HydrophobicContact CB-CD1 3.59Å; K221-L227 HydrophobicContact CG-CB 4.24Å; N224-L227 HydrophobicContact CB-CB 4.38Å; N224-L227 HydrophobicContact CB-CD1 4.08Å; N224-L227 HydrophobicContact CB-CG 4.3Å; N224-L227 PolarHBondContact O-N 3.37Å; N224-L227 PolarHBondContact OD1-N 3.15Å
228T69.4Low79.8Confident80 Ų8070 Ų7049%0.49137%0.371SS..Hα-helixtrans-73.2-42.9177.1-33.50000111.7K221 N224 A225 T226K221-T228 PolarHBondContact O-OG1 3.37Å; N224-T228 PolarHBondContact O-N 2.92Å; N224-T228 PolarHBondContact O-OG1 2.97Å; N224-T228 VanDerWaalsContact O-OG1 3.09Å; A225-T228 PolarHBondContact O-N 3.35Å; T226-T228 VanDerWaalsContact C-N 3.35Å
229L66.4Low80.6Confident125 Ų12566.9 Ų66.965%0.65435%0.354SS*.Hα-helixtrans-87.4-23.5-174.3-66.7168.6000113.3V179 A225V179-L229 HydrophobicContact CG2-CD1 3.64Å; A225-L229 HydrophobicContact CB-CD1 4.36Å; A225-L229 VanDerWaalsContact O-CB 3.27Å; A225-L229 WeakPolarHBondContact O-CB 3.41Å; A225-L229 VanDerWaalsContact O-CG 3.31Å; A225-L229 WeakPolarHBondContact O-CG 3.45Å; A225-L229 PolarHBondContact O-N 3.47Å
230Q64.4Low81Confident109 Ų10967.9 Ų67.951%0.50935%0.352SS..  trans-128.872.6176-66.8-177-11.500109.9T226 N232T226-Q230 PolarHBondContact O-N 3.13Å; Q230-N232 PolarHBondContact O-N 3.08Å
231P65.2Low81.4Confident84 Ų8470.5 Ų70.555%0.54536%0.364SS..  trans-66.4-21.1177.128.5-35000112.3
232N75.5Confident81.6Confident53 Ų5372.7 Ų72.728%0.28337%0.374SS..SBendtrans-106.7139.5-179.1-60.2-26.8000110Q230 N234 T281Q230-N232 PolarHBondContact O-N 3.08Å; N232-N234 PolarHBondContact O-N 3.05Å; N232-T281 CarbonylContact C-O 3.45Å; N232-T281 VanDerWaalsContact CA-O 3.23Å; N232-T281 WeakPolarHBondContact CA-O 3.18Å; N232-T281 WeakPolarHBondContact CB-O 3.4Å
233A78.3Confident81.7Confident22 Ų2270.7 Ų70.718%0.18237%0.369CS..  trans-62.2133.617500000110.2C235 F275 Q280 T281 F282A233-C235 VanDerWaalsContact C-N 3.31Å; A233-C235 PolarHBondContact O-N 3.04Å; A233-F275 HydrophobicContact CB-CE1 3.99Å; A233-F275 HydrophobicContact CB-CZ 3.68Å; A233-Q280 HydrophobicContact CB-CB 4.12Å; A233-Q280 HydrophobicContact CB-CG 4.45Å; A233-T281 PolarHBondContact N-O 2.9Å; A233-F282 WeakPolarHBondContact O-CD2 3.49Å
234N79.5Confident82.1Confident136 Ų13670.5 Ų70.573%0.72737%0.373SS*.  trans-82.479.3173.6-170.34.5000109.6N232N232-N234 PolarHBondContact O-N 3.05Å
235C89.4Confident82.7Confident8 Ų871.4 Ų71.45%0.05438%0.38CS..  trans-66134.1173.5-62.80000109.9A233 F237 I250 F275 F282A233-C235 VanDerWaalsContact C-N 3.31Å; A233-C235 PolarHBondContact O-N 3.04Å; C235-F237 PolarHBondContact O-N 2.94Å; C235-I250 HydrophobicContact CB-CG2 3.94Å; C235-F275 WeakPolarHBondContact SG-CE1 3.27Å; C235-F275 VanDerWaalsContact SG-CZ 3.51Å; C235-F282 HydrophobicContact CB-CD2 3.44Å; C235-F282 VanDerWaalsContact CB-CD2 3.44Å; C235-F282 HydrophobicContact CB-CE2 3.8Å; C235-F282 HydrophobicContact CB-CG 4.13Å
236R92.2Very high83.5Confident179 Ų17970 Ų7068%0.67537%0.368SS*.  trans-60.6138.9164.8178.5178.3172.6161.3-1.7108Y251R236-Y251 HydrophobicContact CB-CD2 4.4Å; R236-Y251 HydrophobicContact CG-CD2 4.13Å; R236-Y251 WeakPolarHBondContact O-CB 3.36Å; R236-Y251 WeakPolarHBondContact O-CD2 3.44Å; R236-Y251 PolarHBondContact O-N 3.4Å
237F95.3Very high84.6Confident55 Ų5569 Ų6924%0.24136%0.362CS..EExtended strand (participates in β ladder)trans-134.2158.1167.365.1-81.6000109.1C235 L248 D249 I250 F286 L321C235-F237 PolarHBondContact O-N 2.94Å; F237-L248 HydrophobicContact CB-CD1 4.02Å; F237-L248 HydrophobicContact CD2-CD1 3.57Å; F237-L248 HydrophobicContact CG-CD1 4.15Å; F237-D249 CarbonylContact C-O 3.48Å; F237-D249 WeakPolarHBondContact CA-O 3.48Å; F237-D249 WeakPolarHBondContact CB-O 3.16Å; F237-I250 HydrophobicContact CB-CB 4.5Å; F237-I250 HydrophobicContact CB-CG1 3.98Å; F237-F286 HydrophobicContact CD2-CE1 4.03Å; F237-F286 HydrophobicContact CD2-CZ 4.41Å; F237-F286 AromaticContact CE2-CE1 3.85Å; F237-F286 HydrophobicContact CE2-CE1 3.85Å; F237-F286 HydrophobicContact CG-CE1 4.48Å; F237-F286 HydrophobicContact CG-CZ 4.46Å; F237-F286 HydrophobicContact CZ-CE1 4.2Å; F237-L321 HydrophobicContact CE2-CD2 4.45Å
238D94.7Very high86Confident72 Ų7266.6 Ų66.639%0.38535%0.35SS..EExtended strand (participates in β ladder)trans-141.7163.2175.2-157.2-4.2000109.3L248 D249 Y251D238-L248 WeakPolarHBondContact O-CD1 3.31Å; D238-D249 PolarHBondContact N-O 3.24Å; D238-D249 PolarHBondContact O-N 2.87Å; D238-Y251 HydrophobicContact CB-CE2 4.14Å
239W97Very high87.3Confident66 Ų6663.2 Ų63.225%0.2533%0.329CS..EExtended strand (participates in β ladder)trans-144.5151.6179.971.7-75000112V246 T247 L248 W318 L321W239-V246 HydrophobicContact CE3-CG1 4.02Å; W239-T247 CarbonylContact C-O 3.51Å; W239-T247 WeakPolarHBondContact CA-O 3.27Å; W239-T247 WeakPolarHBondContact CB-O 3.29Å; W239-L248 HydrophobicContact CB-CD1 4.42Å; W239-W318 HydrophobicContact CH2-CB 4.46Å; W239-W318 WeakPolarHBondContact CH2-O 3.41Å; W239-W318 HydrophobicContact CZ3-CB 4.33Å; W239-L321 HydrophobicContact CB-CD1 4.24Å; W239-L321 HydrophobicContact CB-CD2 4.24Å; W239-L321 HydrophobicContact CD2-CB 3.76Å; W239-L321 HydrophobicContact CD2-CD1 4.26Å; W239-L321 HydrophobicContact CD2-CG 4.49Å; W239-L321 HydrophobicContact CE3-CB 4.4Å; W239-L321 HydrophobicContact CE3-CD1 4.39Å; W239-L321 HydrophobicContact CG-CB 3.84Å; W239-L321 HydrophobicContact CG-CD1 4.18Å; W239-L321 HydrophobicContact CG-CD2 4.14Å; W239-L321 HydrophobicContact CG-CG 4.28Å; W239-L321 HydrophobicContact CZ2-CB 4.38Å; W239-L321 VanDerWaalsContact CZ2-N 3.28Å
240Y94.9Very high88.8Confident101 Ų10157.3 Ų57.340%0.39630%0.298SS..EExtended strand (participates in β ladder)trans-145.4169.4174.360.4-86.3000109.8T247Y240-T247 HydrophobicContact CE1-CG2 3.71Å; Y240-T247 HydrophobicContact CE2-CG2 4.29Å; Y240-T247 PolarHBondContact N-O 3.24Å; Y240-T247 PolarHBondContact O-N 3.3Å; Y240-T247 WeakPolarHBondContact OH-CG2 3.42Å
241Q93.2Very high90.4Very high56 Ų5656.8 Ų56.826%0.26229%0.292SS..EExtended strand (participates in β ladder)trans-133.2137.1177.965.6-171.6-49.900110.7C245 V246 K312 W318Q241-C245 VanDerWaalsContact CA-O 3.26Å; Q241-C245 WeakPolarHBondContact CA-O 3.39Å; Q241-C245 WeakPolarHBondContact CB-O 3.42Å; Q241-V246 HydrophobicContact CB-CG2 4.2Å; Q241-K312 VanDerWaalsContact OE1-NZ 3.16Å; Q241-W318 PolarHBondContact NE2-O 3.42Å
242F87.8Confident91.7Very high133 Ų13352.9 Ų52.958%0.58327%0.267SS*.EExtended strand (participates in β ladder)trans-159.1146.3179.4-178.7-102.4000109.9G244 C245F242-G244 VanDerWaalsContact C-N 3.26Å; F242-G244 PolarHBondContact O-N 2.99Å; F242-G244 VanDerWaalsContact O-N 3.15Å; F242-C245 PolarHBondContact N-O 3.33Å; F242-C245 WeakPolarHBondContact O-CB 3.41Å; F242-C245 PolarHBondContact O-N 3Å
243G83Confident92.6Very high57 Ų5757 Ų5759%0.58828%0.282SS*.THydrogen-bonded Turntrans60.329.4171.200000115.4C245G243-C245 PolarHBondContact O-N 2.7Å
244G91.1Very high93.3Very high28 Ų2857.3 Ų57.329%0.28928%0.281SS..THydrogen-bonded Turntrans73.813.3-174.600000114.1F242 K312F242-G244 VanDerWaalsContact C-N 3.26Å; F242-G244 PolarHBondContact O-N 2.99Å; F242-G244 VanDerWaalsContact O-N 3.15Å; G244-K312 VanDerWaalsContact C-CE 3.44Å; G244-K312 VanDerWaalsContact O-CB 3.24Å; G244-K312 WeakPolarHBondContact O-CB 3.44Å; G244-K312 WeakPolarHBondContact O-CG 3.13Å; G244-K312 PolarHBondContact O-N 2.96Å
245C95.3Very high94Very high26 Ų2650.8 Ų50.818%0.17625%0.246CC..EExtended strand (participates in β ladder)trans-114157.8173.3-60.60000110.8Q241 F242 G243 I309 L310Q241-C245 VanDerWaalsContact CA-O 3.26Å; Q241-C245 WeakPolarHBondContact CA-O 3.39Å; Q241-C245 WeakPolarHBondContact CB-O 3.42Å; F242-C245 PolarHBondContact N-O 3.33Å; F242-C245 WeakPolarHBondContact O-CB 3.41Å; F242-C245 PolarHBondContact O-N 3Å; G243-C245 PolarHBondContact O-N 2.7Å; C245-I309 HydrophobicContact CB-CG2 4.07Å; C245-L310 CarbonylContact C-O 3.56Å; C245-L310 WeakPolarHBondContact CA-O 3.47Å; C245-L310 WeakPolarHBondContact CB-O 3.14Å
246V97Very high94.2Very high0 Ų051.4 Ų51.40%025%0.247CC..EExtended strand (participates in β ladder)trans-113.9128.3164.8174.50000106.6W239 Q241 L310 K312 W318 L321W239-V246 HydrophobicContact CE3-CG1 4.02Å; Q241-V246 HydrophobicContact CB-CG2 4.2Å; V246-L310 PolarHBondContact N-O 3.13Å; V246-L310 PolarHBondContact O-N 3.17Å; V246-K312 HydrophobicContact CG2-CD 3.77Å; V246-K312 HydrophobicContact CG2-CG 3.84Å; V246-W318 HydrophobicContact CG1-CE3 4.43Å; V246-W318 HydrophobicContact CG1-CZ3 4.46Å; V246-W318 HydrophobicContact CG2-CD2 3.87Å; V246-W318 HydrophobicContact CG2-CE3 3.85Å; V246-W318 HydrophobicContact CG2-CG 4.32Å; V246-W318 HydrophobicContact CG2-CH2 4.47Å; V246-W318 HydrophobicContact CG2-CZ3 4.17Å; V246-L321 HydrophobicContact CG1-CD1 3.8Å
247T97.3Very high94.4Very high9 Ų944.1 Ų44.16%0.05522%0.223CC..EExtended strand (participates in β ladder)trans-112.3127.5177.9-600000109.2W239 Y240 E307 I308 I309W239-T247 CarbonylContact C-O 3.51Å; W239-T247 WeakPolarHBondContact CA-O 3.27Å; W239-T247 WeakPolarHBondContact CB-O 3.29Å; Y240-T247 HydrophobicContact CE1-CG2 3.71Å; Y240-T247 HydrophobicContact CE2-CG2 4.29Å; Y240-T247 PolarHBondContact N-O 3.24Å; Y240-T247 PolarHBondContact O-N 3.3Å; Y240-T247 WeakPolarHBondContact OH-CG2 3.42Å; T247-E307 HydrophobicContact CG2-CG 3.45Å; T247-E307 VanDerWaalsContact CG2-CG 3.45Å; T247-I308 CarbonylContact C-O 3.6Å; T247-I308 WeakPolarHBondContact CA-O 3.49Å; T247-I309 HydrophobicContact CG2-CG1 4.12Å
248L98.2Very high94.2Very high0 Ų047.2 Ų47.20%024%0.238CC..EExtended strand (participates in β ladder)trans-110.2118.5175.1169.564.7000109F237 D238 W239 I250 L269 F286 I308 L321F237-L248 HydrophobicContact CB-CD1 4.02Å; F237-L248 HydrophobicContact CD2-CD1 3.57Å; F237-L248 HydrophobicContact CG-CD1 4.15Å; D238-L248 WeakPolarHBondContact O-CD1 3.31Å; W239-L248 HydrophobicContact CB-CD1 4.42Å; L248-I250 HydrophobicContact CD2-CD1 4.43Å; L248-I250 HydrophobicContact CG-CG1 4.28Å; L248-L269 HydrophobicContact CD2-CD2 3.71Å; L248-F286 HydrophobicContact CD1-CE1 4.44Å; L248-F286 HydrophobicContact CD1-CZ 4.46Å; L248-F286 HydrophobicContact CD2-CD1 4.48Å; L248-F286 HydrophobicContact CD2-CD2 4.13Å; L248-F286 HydrophobicContact CD2-CE1 4.15Å; L248-F286 HydrophobicContact CD2-CE2 3.8Å; L248-F286 HydrophobicContact CD2-CG 4.47Å; L248-F286 HydrophobicContact CD2-CZ 3.79Å; L248-I308 HydrophobicContact CB-CB 4.31Å; L248-I308 HydrophobicContact CD2-CD1 4.18Å; L248-I308 PolarHBondContact N-O 3.37Å; L248-I308 PolarHBondContact O-N 2.8Å; L248-L321 HydrophobicContact CD1-CD2 3.95Å
249D97.8Very high94.2Very high9 Ų944.8 Ų44.85%0.04823%0.226CC..EExtended strand (participates in β ladder)trans-99.3120.6175-80-27.7000110.1F237 D238 Y251 K305 A306 E307F237-D249 CarbonylContact C-O 3.48Å; F237-D249 WeakPolarHBondContact CA-O 3.48Å; F237-D249 WeakPolarHBondContact CB-O 3.16Å; D238-D249 PolarHBondContact N-O 3.24Å; D238-D249 PolarHBondContact O-N 2.87Å; D249-Y251 HydrophobicContact CB-CE2 4.12Å; D249-K305 HydrophobicContact CB-CD 4.25Å; D249-K305 IonicContact OD1-NZ 2.71Å; D249-K305 PolarHBondContact OD1-NZ 2.7Å; D249-K305 IonicContact OD2-NZ 3.84Å; D249-K305 PolarHBondContact OD2-NZ 2.66Å; D249-A306 CarbonylContact C-O 3.6Å; D249-A306 WeakPolarHBondContact CA-O 3.37Å; D249-E307 WeakPolarHBondContact OD1-CB 3.47Å; D249-E307 WeakPolarHBondContact OD1-CG 3.46Å
250I97.8Very high94.1Very high0 Ų042.7 Ų42.70%022%0.22CC..EExtended strand (participates in β ladder)trans-107.3116.9172.3-61164.2000108.3C235 F237 L248 A252 V271 L273 F282 K305 A306 I308C235-I250 HydrophobicContact CB-CG2 3.94Å; F237-I250 HydrophobicContact CB-CB 4.5Å; F237-I250 HydrophobicContact CB-CG1 3.98Å; L248-I250 HydrophobicContact CD2-CD1 4.43Å; L248-I250 HydrophobicContact CG-CG1 4.28Å; I250-A252 PolarHBondContact O-N 2.9Å; I250-V271 HydrophobicContact CD1-CB 4.22Å; I250-V271 HydrophobicContact CD1-CG1 3.45Å; I250-V271 VanDerWaalsContact CD1-CG1 3.45Å; I250-V271 HydrophobicContact CD1-CG2 4.16Å; I250-L273 HydrophobicContact CG2-CD2 4.42Å; I250-F282 HydrophobicContact CD1-CD1 4.33Å; I250-F282 HydrophobicContact CD1-CE1 3.69Å; I250-F282 HydrophobicContact CD1-CZ 4.36Å; I250-F282 HydrophobicContact CG1-CE1 4.31Å; I250-F282 HydrophobicContact CG2-CD1 4.12Å; I250-F282 HydrophobicContact CG2-CE1 4.06Å; I250-F282 HydrophobicContact CG2-CG 4.4Å; I250-F282 HydrophobicContact CG2-CZ 4.27Å; I250-K305 CarbonylContact O-C 3.59Å; I250-K305 WeakPolarHBondContact O-CA 3.44Å; I250-K305 VanDerWaalsContact O-CB 3.31Å; I250-K305 WeakPolarHBondContact O-CB 3.45Å; I250-A306 PolarHBondContact N-O 3.24Å; I250-A306 PolarHBondContact O-N 3.01Å; I250-I308 HydrophobicContact CD1-CD1 3.84Å
251Y97Very high94.2Very high98 Ų9840.2 Ų40.238%0.38422%0.216SC..  trans-85101.5-177.1-63.6-87.7000110.4R236 D238 D249 K305R236-Y251 HydrophobicContact CB-CD2 4.4Å; R236-Y251 HydrophobicContact CG-CD2 4.13Å; R236-Y251 WeakPolarHBondContact O-CB 3.36Å; R236-Y251 WeakPolarHBondContact O-CD2 3.44Å; R236-Y251 PolarHBondContact O-N 3.4Å; D238-Y251 HydrophobicContact CB-CE2 4.14Å; D249-Y251 HydrophobicContact CB-CE2 4.12Å; Y251-K305 HydrophobicContact CD1-CB 4.24Å; Y251-K305 HydrophobicContact CE1-CD 4.35Å
252A94.2Very high94.4Very high3 Ų337.9 Ų37.93%0.02521%0.205CC..  trans-141.7128.7176.800000108.4I250 I255 L273 F275 L304 K305I250-A252 PolarHBondContact O-N 2.9Å; A252-I255 HydrophobicContact CB-CD1 3.97Å; A252-I255 HydrophobicContact CB-CG1 3.81Å; A252-L273 HydrophobicContact CB-CD1 4.07Å; A252-F275 HydrophobicContact CB-CB 4.04Å; A252-F275 HydrophobicContact CB-CD1 3.82Å; A252-F275 HydrophobicContact CB-CD2 4.11Å; A252-F275 HydrophobicContact CB-CE1 4.28Å; A252-F275 HydrophobicContact CB-CG 3.72Å; A252-L304 PolarHBondContact N-O 3.41Å; A252-L304 CarbonylContact O-C 3.59Å; A252-K305 PolarHBondContact O-N 2.85Å
253K93.3Very high94.8Very high140 Ų14035.3 Ų35.361%0.60919%0.194SC*.SBendtrans-85130.1-176.7-68.4-170.1178.6179.90110.6F275 G276 P303 L304K253-F275 WeakPolarHBondContact O-CB 3.48Å; K253-G276 PolarHBondContact O-N 2.88Å; K253-G276 VanDerWaalsContact O-N 3.17Å; K253-P303 CarbonylContact C-O 3.56Å; K253-P303 WeakPolarHBondContact CA-O 3.22Å; K253-L304 HydrophobicContact CD-CD2 4.13Å; K253-L304 HydrophobicContact CG-CD2 3.83Å
254N92.8Very high95.5Very high27 Ų2732.6 Ų32.614%0.14417%0.166CC..SBendtrans56.565.7174.9-54.3-28.4000111.6L124 L127 F275 G276 P303L124-N254 HydrophobicContact CD2-CB 3.96Å; L127-N254 WeakPolarHBondContact CD1-ND2 3.32Å; L127-N254 HydrophobicContact CD2-CB 3.96Å; N254-F275 WeakPolarHBondContact O-CA 3.15Å; N254-G276 PolarHBondContact O-N 3.36Å; N254-P303 PolarHBondContact N-O 2.8Å
255I95.4Very high95.7Very high0 Ų031.4 Ų31.40%015%0.153CC..BIsolated β-bridgetrans-72.7132.7177.9-58.1169.7000109A252 P257 V260 L273 K274 F275 L301 A306A252-I255 HydrophobicContact CB-CD1 3.97Å; A252-I255 HydrophobicContact CB-CG1 3.81Å; I255-P257 VanDerWaalsContact O-CD 3.25Å; I255-P257 WeakPolarHBondContact O-CD 3.11Å; I255-V260 HydrophobicContact CG2-CG2 3.51Å; I255-L273 HydrophobicContact CD1-CD2 4.37Å; I255-L273 HydrophobicContact CG1-CD1 4.45Å; I255-L273 HydrophobicContact CG2-CB 4.13Å; I255-L273 HydrophobicContact CG2-CD1 4.43Å; I255-K274 WeakPolarHBondContact CA-O 3.36Å; I255-F275 HydrophobicContact CG1-CB 4.14Å; I255-L301 HydrophobicContact CD1-CD2 4.35Å; I255-L301 HydrophobicContact CG2-CD1 4.34Å; I255-L301 HydrophobicContact CG2-CD2 4.32Å; I255-A306 HydrophobicContact CD1-CB 3.67Å
256W93.8Very high95.6Very high20 Ų2033.1 Ų33.18%0.07616%0.158CC..  trans-82.9106.1178.1-67.299.4000110.3L124 L127 F133 E258 T259 K274 G276 Y279L124-W256 HydrophobicContact CB-CZ3 4.42Å; L124-W256 HydrophobicContact CD2-CD2 3.93Å; L124-W256 HydrophobicContact CD2-CE3 3.92Å; L124-W256 HydrophobicContact CD2-CH2 3.99Å; L124-W256 HydrophobicContact CD2-CZ2 4Å; L124-W256 HydrophobicContact CD2-CZ3 3.96Å; L127-W256 HydrophobicContact CD2-CZ2 4.08Å; F133-W256 HydrophobicContact CD2-CH2 4.45Å; F133-W256 HydrophobicContact CD2-CZ2 4.37Å; F133-W256 AromaticContact CE2-CH2 3.38Å; F133-W256 HydrophobicContact CE2-CH2 3.38Å; F133-W256 AromaticContact CE2-CZ2 3.48Å; F133-W256 HydrophobicContact CE2-CZ2 3.48Å; F133-W256 VanDerWaalsContact CE2-CZ2 3.48Å; F133-W256 HydrophobicContact CE2-CZ3 4.44Å; F133-W256 AromaticContact CZ-CH2 3.66Å; F133-W256 HydrophobicContact CZ-CH2 3.66Å; F133-W256 HydrophobicContact CZ-CZ2 4.21Å; F133-W256 HydrophobicContact CZ-CZ3 4.39Å; W256-E258 PolarHBondContact O-N 3.31Å; W256-E258 VanDerWaalsContact O-N 3.17Å; W256-T259 HydrophobicContact CB-CG2 3.76Å; W256-T259 PolarHBondContact O-N 2.83Å; W256-T259 PolarHBondContact O-OG1 3.25Å; W256-K274 PolarHBondContact N-O 3Å; W256-G276 PolarHBondContact NE1-O 3.22Å; W256-Y279 AromaticContact CD1-CD1 3.42Å; W256-Y279 VanDerWaalsContact CD1-CD1 3.42Å; W256-Y279 AromaticContact CD1-CE1 3.36Å; W256-Y279 HydrophobicContact CD2-CD1 4.45Å; W256-Y279 AromaticContact CD2-CE1 3.62Å; W256-Y279 HydrophobicContact CD2-CE1 3.62Å; W256-Y279 AromaticContact CE2-CE1 3.41Å; W256-Y279 VanDerWaalsContact CE2-CE1 3.41Å; W256-Y279 AromaticContact CE2-CZ 3.81Å; W256-Y279 HydrophobicContact CE3-CE1 4.43Å; W256-Y279 HydrophobicContact CG-CD1 4.03Å; W256-Y279 AromaticContact CG-CE1 3.61Å; W256-Y279 HydrophobicContact CG-CE1 3.61Å; W256-Y279 HydrophobicContact CZ2-CE1 4.12Å; W256-Y279 AromaticContact NE1-CD1 3.48Å; W256-Y279 AromaticContact NE1-CE1 3.21Å; W256-Y279 AromaticContact NE1-CZ 3.88Å
257P94.7Very high95.5Very high27 Ų2733.1 Ų33.118%0.17516%0.158CC..G310 helixtrans-58-34.4-170.1-25.636.4000114L114 V116 L120 L124 I255 T259 V260 L301L114-P257 HydrophobicContact CD2-CB 4.32Å; V116-P257 HydrophobicContact CG1-CG 3.96Å; V116-P257 HydrophobicContact CG2-CB 3.84Å; V116-P257 HydrophobicContact CG2-CG 4.04Å; L120-P257 HydrophobicContact CD2-CG 4.49Å; L124-P257 HydrophobicContact CD1-CG 4.25Å; I255-P257 VanDerWaalsContact O-CD 3.25Å; I255-P257 WeakPolarHBondContact O-CD 3.11Å; P257-T259 PolarHBondContact O-N 2.79Å; P257-V260 PolarHBondContact O-N 3Å; P257-L301 HydrophobicContact CB-CD1 3.88Å; P257-L301 HydrophobicContact CG-CD1 4.03Å
258E92.5Very high95.4Very high120 Ų12033.5 Ų33.556%0.56116%0.161SC*.G310 helixtrans-67.2-15.7178.570.7-80.4-170.400113.9L136 W256L136-E258 HydrophobicContact CD2-CG 4.46Å; W256-E258 PolarHBondContact O-N 3.31Å; W256-E258 VanDerWaalsContact O-N 3.17Å
259T93.1Very high95.4Very high20 Ų2033.5 Ų33.512%0.12316%0.161CC..G310 helixtrans-98.4-7.9179.371.70000112.9L136 W256 P257 T261 K274L136-T259 HydrophobicContact CD1-CG2 4.49Å; L136-T259 HydrophobicContact CD2-CG2 3.58Å; W256-T259 HydrophobicContact CB-CG2 3.76Å; W256-T259 PolarHBondContact O-N 2.83Å; W256-T259 PolarHBondContact O-OG1 3.25Å; P257-T259 PolarHBondContact O-N 2.79Å; T259-T261 PolarHBondContact O-N 3.08Å; T259-K274 HydrophobicContact CG2-CB 4.05Å; T259-K274 HydrophobicContact CG2-CD 4.04Å; T259-K274 HydrophobicContact CG2-CG 4.31Å; T259-K274 WeakPolarHBondContact OG1-CB 3.31Å; T259-K274 PolarHBondContact OG1-N 3Å
260V96.2Very high95.4Very high22 Ų2235 Ų3513%0.13317%0.167CC..  trans-79120.6-174.3176.60000110.1L114 I255 P257 I262 S272 L273 L301L114-V260 HydrophobicContact CD1-CB 4.5Å; L114-V260 HydrophobicContact CD1-CG1 3.92Å; L114-V260 HydrophobicContact CD2-CB 4.25Å; L114-V260 HydrophobicContact CD2-CG1 4.48Å; I255-V260 HydrophobicContact CG2-CG2 3.51Å; P257-V260 PolarHBondContact O-N 3Å; V260-I262 HydrophobicContact CG1-CD1 3.98Å; V260-I262 HydrophobicContact CG1-CG1 3.65Å; V260-S272 WeakPolarHBondContact CA-O 3.43Å; V260-L273 HydrophobicContact CG2-CB 3.93Å; V260-L301 HydrophobicContact CG2-CD1 3.9Å; V260-L301 HydrophobicContact CG2-CD2 4.33Å
261T96.9Very high95.3Very high50 Ų5035 Ų3531%0.30717%0.167SC..EExtended strand (participates in β ladder)trans-123.7106.8172.2-58.60000108.6T259 K263 S272T259-T261 PolarHBondContact O-N 3.08Å; T261-K263 HydrophobicContact CG2-CD 4.02Å; T261-K263 HydrophobicContact CG2-CG 4.02Å; T261-S272 PolarHBondContact N-O 2.95Å; T261-S272 PolarHBondContact O-N 3.49Å
262I97.4Very high95.3Very high7 Ų731.4 Ų31.44%0.03616%0.157CC..EExtended strand (participates in β ladder)trans-115.8103.1177-51-59.7000108.6D111 L112 V260 L269 H270 V271 V299 I308D111-I262 WeakPolarHBondContact CA-O 3.48Å; L112-I262 HydrophobicContact CB-CB 4.47Å; L112-I262 HydrophobicContact CB-CG2 4.37Å; L112-I262 HydrophobicContact CD1-CG2 3.91Å; L112-I262 HydrophobicContact CG-CG2 4.33Å; L112-I262 PolarHBondContact N-O 3.26Å; V260-I262 HydrophobicContact CG1-CD1 3.98Å; V260-I262 HydrophobicContact CG1-CG1 3.65Å; I262-L269 HydrophobicContact CG2-CD1 3.55Å; I262-H270 WeakPolarHBondContact CA-O 3.42Å; I262-V271 HydrophobicContact CD1-CB 3.87Å; I262-V271 HydrophobicContact CD1-CG1 3.29Å; I262-V271 HydrophobicContact CD1-CG2 4.03Å; I262-V299 HydrophobicContact CB-CG2 3.96Å; I262-V299 HydrophobicContact CG1-CG1 4.26Å; I262-V299 HydrophobicContact CG1-CG2 3.86Å; I262-V299 HydrophobicContact CG2-CG2 3.92Å; I262-I308 HydrophobicContact CD1-CD1 4.18Å; I262-I308 HydrophobicContact CG2-CD1 4.35Å
263K97Very high95.4Very high79 Ų7931.3 Ų31.334%0.34316%0.155SC..EExtended strand (participates in β ladder)trans-107.7133.1-177.5-74.8176.5-178.8176.30109.9R110 D111 T261 H270R110-K263 CarbonylContact O-C 3.55Å; R110-K263 WeakPolarHBondContact O-CA 3.4Å; D111-K263 VanDerWaalsContact OD1-CE 3.31Å; D111-K263 WeakPolarHBondContact OD1-CE 3.16Å; D111-K263 WeakPolarHBondContact OD1-CG 3.24Å; T261-K263 HydrophobicContact CG2-CD 4.02Å; T261-K263 HydrophobicContact CG2-CG 4.02Å; K263-H270 HydrophobicContact CB-CB 4.2Å; K263-H270 PolarHBondContact N-O 3.27Å; K263-H270 PolarHBondContact O-N 3Å
264V97Very high95.4Very high0 Ų028.2 Ų28.20%014%0.142CC..EExtended strand (participates in β ladder)trans-141.3144-176.382.40000111.5T109 R110 L112 V268 L269 I292 P294T109-V264 WeakPolarHBondContact CA-O 3.45Å; R110-V264 WeakPolarHBondContact CG-O 3.23Å; R110-V264 PolarHBondContact N-O 3.41Å; R110-V264 PolarHBondContact O-N 3.38Å; L112-V264 HydrophobicContact CD1-CB 4.44Å; L112-V264 HydrophobicContact CD1-CG1 4.07Å; L112-V264 HydrophobicContact CD2-CG1 3.51Å; L112-V264 HydrophobicContact CG-CB 4.36Å; L112-V264 HydrophobicContact CG-CG1 3.7Å; V264-V268 CarbonylContact C-O 3.6Å; V264-V268 VanDerWaalsContact CA-O 3.28Å; V264-V268 WeakPolarHBondContact CA-O 3.26Å; V264-V268 VanDerWaalsContact CG2-O 3.23Å; V264-V268 WeakPolarHBondContact CG2-O 3.42Å; V264-L269 HydrophobicContact CB-CD1 4.03Å; V264-L269 HydrophobicContact CG2-CB 3.98Å; V264-L269 HydrophobicContact CG2-CD1 3.84Å; V264-I292 HydrophobicContact CG1-CD1 4.17Å; V264-I292 HydrophobicContact CG2-CD1 3.8Å; V264-I292 HydrophobicContact CG2-CG1 4.41Å; V264-P294 HydrophobicContact CG1-CB 3.65Å; V264-P294 HydrophobicContact CG1-CG 4Å
265N94.5Very high95.4Very high2 Ų227.9 Ų27.91%0.01114%0.139CC..  trans-114-154.7160.467.325.2000108.9R105 E107 T109 I267 V268 I292R105-N265 PolarHBondContact O-ND2 3.15Å; E107-N265 HydrophobicContact CB-CB 4.18Å; E107-N265 PolarHBondContact O-ND2 2.98Å; T109-N265 HydrophobicContact CG2-CB 4.26Å; N265-I267 VanDerWaalsContact C-N 3.29Å; N265-I267 PolarHBondContact O-N 3.23Å; N265-I267 PolarHBondContact OD1-N 3.05Å; N265-V268 PolarHBondContact N-O 3.39Å; N265-V268 WeakPolarHBondContact OD1-CB 3.39Å; N265-V268 PolarHBondContact OD1-N 3.23Å; N265-I292 WeakPolarHBondContact O-CD1 3.41Å
266Q94Very high95Very high63 Ų6328.5 Ų28.529%0.29415%0.146SC..SBendtrans-69.5-27.3-179.4-66.6-177.189.100113.1P103 E107 S291 I292P103-Q266 HydrophobicContact CB-CB 4.09Å; P103-Q266 HydrophobicContact CG-CB 3.84Å; P103-Q266 HydrophobicContact CG-CG 4.44Å; E107-Q266 PolarHBondContact OE2-NE2 3.36Å; Q266-S291 CarbonylContact O-C 3.49Å; Q266-S291 VanDerWaalsContact O-CA 3.24Å; Q266-S291 WeakPolarHBondContact O-CA 3.45Å; Q266-I292 WeakPolarHBondContact O-CG1 3.46Å; Q266-I292 PolarHBondContact O-N 3.46Å
267I94.6Very high94.4Very high0 Ų030.2 Ų30.20%016%0.156CC..SBendtrans-135.8-7.2-169.857.5152.1000115R102 P103 R105 N265 N287 L288R102-I267 HydrophobicContact CG-CD1 4.15Å; R102-I267 HydrophobicContact CG-CG2 4.28Å; P103-I267 HydrophobicContact CB-CG2 4.47Å; P103-I267 HydrophobicContact CG-CG2 4.24Å; P103-I267 WeakPolarHBondContact O-CD1 3.31Å; R105-I267 HydrophobicContact CB-CD1 4.39Å; R105-I267 HydrophobicContact CG-CD1 3.59Å; N265-I267 VanDerWaalsContact C-N 3.29Å; N265-I267 PolarHBondContact O-N 3.23Å; N265-I267 PolarHBondContact OD1-N 3.05Å; I267-N287 CarbonylContact O-C 3.16Å; I267-L288 VanDerWaalsContact O-CB 3.31Å; I267-L288 WeakPolarHBondContact O-CB 3.4Å; I267-L288 PolarHBondContact O-N 3.33Å
268V96Very high93.8Very high17 Ų1733.8 Ų33.810%0.10317%0.174CC..EExtended strand (participates in β ladder)trans-119.5129.5177.8179.70000108.7R105 V264 N265 F286R105-V268 HydrophobicContact CB-CG2 4.01Å; R105-V268 HydrophobicContact CG-CG2 4.08Å; V264-V268 CarbonylContact C-O 3.6Å; V264-V268 VanDerWaalsContact CA-O 3.28Å; V264-V268 WeakPolarHBondContact CA-O 3.26Å; V264-V268 VanDerWaalsContact CG2-O 3.23Å; V264-V268 WeakPolarHBondContact CG2-O 3.42Å; N265-V268 PolarHBondContact N-O 3.39Å; N265-V268 WeakPolarHBondContact OD1-CB 3.39Å; N265-V268 PolarHBondContact OD1-N 3.23Å; V268-F286 WeakPolarHBondContact CA-O 3.23Å
269L97.2Very high93.4Very high0 Ų029.7 Ų29.70%015%0.153CC..EExtended strand (participates in β ladder)trans-117.8117.2171.1171.370.1000108.7L248 I262 V264 V271 D285 F286 L288 I308 L310L248-L269 HydrophobicContact CD2-CD2 3.71Å; I262-L269 HydrophobicContact CG2-CD1 3.55Å; V264-L269 HydrophobicContact CB-CD1 4.03Å; V264-L269 HydrophobicContact CG2-CB 3.98Å; V264-L269 HydrophobicContact CG2-CD1 3.84Å; L269-V271 HydrophobicContact CD1-CG2 4.22Å; L269-V271 HydrophobicContact CD2-CG2 3.96Å; L269-V271 HydrophobicContact CG-CG2 3.82Å; L269-D285 CarbonylContact O-C 3.5Å; L269-D285 WeakPolarHBondContact O-CA 3.38Å; L269-F286 HydrophobicContact CB-CB 4.26Å; L269-F286 HydrophobicContact CD2-CD2 4.07Å; L269-F286 HydrophobicContact CG-CD2 4.31Å; L269-F286 PolarHBondContact N-O 2.99Å; L269-F286 PolarHBondContact O-N 2.97Å; L269-L288 HydrophobicContact CB-CD1 4.27Å; L269-L288 HydrophobicContact CB-CD2 4.26Å; L269-L288 HydrophobicContact CB-CG 4.33Å; L269-I308 HydrophobicContact CD1-CG2 4.44Å; L269-I308 HydrophobicContact CD2-CD1 4.29Å; L269-I308 HydrophobicContact CD2-CG2 4.26Å; L269-L310 HydrophobicContact CD2-CD1 4.29Å
270H97.1Very high93.1Very high39 Ų3932.7 Ų32.718%0.18117%0.166CC..EExtended strand (participates in β ladder)trans-99.5127.6169.8176.780.7000109.2I262 K263 E283 D285I262-H270 WeakPolarHBondContact CA-O 3.42Å; K263-H270 HydrophobicContact CB-CB 4.2Å; K263-H270 PolarHBondContact N-O 3.27Å; K263-H270 PolarHBondContact O-N 3Å; H270-E283 IonicContact CE1-OE1 3.35Å; H270-E283 PolarHBondContact CE1-OE1 3.43Å; H270-E283 IonicContact NE2-OE1 3.8Å; H270-D285 WeakPolarHBondContact CA-OD1 3.08Å; H270-D285 VanDerWaalsContact CB-OD1 3.29Å; H270-D285 WeakPolarHBondContact CB-OD1 3.16Å; H270-D285 IonicContact CE1-OD1 3.82Å; H270-D285 IonicContact CG-OD1 3.32Å; H270-D285 IonicContact ND1-OD1 2.66Å; H270-D285 PolarHBondContact ND1-OD1 3.33Å
271V97.5Very high92.8Very high0 Ų033.3 Ų33.30%017%0.17CC..EExtended strand (participates in β ladder)trans-121.3124.6178.3-178.50000108.8I250 I262 L269 L273 F282 E283 R284 F286 I308I250-V271 HydrophobicContact CD1-CB 4.22Å; I250-V271 HydrophobicContact CD1-CG1 3.45Å; I250-V271 VanDerWaalsContact CD1-CG1 3.45Å; I250-V271 HydrophobicContact CD1-CG2 4.16Å; I262-V271 HydrophobicContact CD1-CB 3.87Å; I262-V271 HydrophobicContact CD1-CG1 3.29Å; I262-V271 HydrophobicContact CD1-CG2 4.03Å; L269-V271 HydrophobicContact CD1-CG2 4.22Å; L269-V271 HydrophobicContact CD2-CG2 3.96Å; L269-V271 HydrophobicContact CG-CG2 3.82Å; V271-L273 HydrophobicContact CG1-CD2 4.1Å; V271-F282 HydrophobicContact CB-CE1 4.2Å; V271-F282 HydrophobicContact CG1-CD1 4.01Å; V271-F282 HydrophobicContact CG1-CE1 3.89Å; V271-E283 CarbonylContact O-C 3.42Å; V271-E283 WeakPolarHBondContact O-CA 3.07Å; V271-R284 PolarHBondContact N-O 3.41Å; V271-R284 PolarHBondContact O-N 2.8Å; V271-F286 HydrophobicContact CB-CE2 4.43Å; V271-F286 HydrophobicContact CG2-CD2 4.15Å; V271-F286 HydrophobicContact CG2-CE2 3.86Å; V271-I308 HydrophobicContact CG1-CD1 4.33Å; V271-I308 HydrophobicContact CG2-CD1 3.67Å
272S95.9Very high92.7Very high24 Ų2431.3 Ų31.317%0.16816%0.157CC..EExtended strand (participates in β ladder)trans-133.6129.5168.7-173.40000109.9V260 T261 F282V260-S272 WeakPolarHBondContact CA-O 3.43Å; T261-S272 PolarHBondContact N-O 2.95Å; T261-S272 PolarHBondContact O-N 3.49Å; S272-F282 CarbonylContact C-O 3.57Å; S272-F282 VanDerWaalsContact CA-O 3.31Å; S272-F282 WeakPolarHBondContact CA-O 3.25Å
273L95.5Very high92.5Very high0 Ų035.2 Ų35.20%018%0.175CC..EExtended strand (participates in β ladder)trans-152.6152.7179.358.985.5000111.5I250 A252 I255 V260 V271 F275 T281 F282 A306I250-L273 HydrophobicContact CG2-CD2 4.42Å; A252-L273 HydrophobicContact CB-CD1 4.07Å; I255-L273 HydrophobicContact CD1-CD2 4.37Å; I255-L273 HydrophobicContact CG1-CD1 4.45Å; I255-L273 HydrophobicContact CG2-CB 4.13Å; I255-L273 HydrophobicContact CG2-CD1 4.43Å; V260-L273 HydrophobicContact CG2-CB 3.93Å; V271-L273 HydrophobicContact CG1-CD2 4.1Å; L273-F275 HydrophobicContact CD1-CD1 3.7Å; L273-F275 HydrophobicContact CD1-CE1 4.41Å; L273-T281 WeakPolarHBondContact O-CA 3.25Å; L273-F282 HydrophobicContact CD1-CB 3.75Å; L273-F282 HydrophobicContact CD2-CD1 4.4Å; L273-F282 HydrophobicContact CG-CB 4.06Å; L273-F282 HydrophobicContact CG-CD1 4.24Å; L273-F282 PolarHBondContact N-O 3.47Å; L273-F282 PolarHBondContact O-N 3.31Å; L273-A306 HydrophobicContact CD2-CB 4.26Å
274K93.3Very high92.3Very high75 Ų7535.3 Ų35.333%0.32617%0.173SC..EExtended strand (participates in β ladder)trans-113.5147.7169.1-60.4-179.5175.1179.90111.3L136 I255 W256 T259 Y279 Q280L136-K274 HydrophobicContact CD1-CD 4.26Å; I255-K274 WeakPolarHBondContact CA-O 3.36Å; W256-K274 PolarHBondContact N-O 3Å; T259-K274 HydrophobicContact CG2-CB 4.05Å; T259-K274 HydrophobicContact CG2-CD 4.04Å; T259-K274 HydrophobicContact CG2-CG 4.31Å; T259-K274 WeakPolarHBondContact OG1-CB 3.31Å; T259-K274 PolarHBondContact OG1-N 3Å; K274-Y279 HydrophobicContact CB-CD1 4.33Å; K274-Q280 CarbonylContact C-O 3.53Å; K274-Q280 VanDerWaalsContact CA-O 3.23Å; K274-Q280 WeakPolarHBondContact CA-O 3.37Å
275F93.3Very high92.2Very high20 Ų2039.5 Ų39.59%0.08820%0.196CC..EExtended strand (participates in β ladder)trans-148.8161.1-175.865.8-87.7000112.8A233 C235 A252 K253 N254 I255 L273 Y279 Q280 F282A233-F275 HydrophobicContact CB-CE1 3.99Å; A233-F275 HydrophobicContact CB-CZ 3.68Å; C235-F275 WeakPolarHBondContact SG-CE1 3.27Å; C235-F275 VanDerWaalsContact SG-CZ 3.51Å; A252-F275 HydrophobicContact CB-CB 4.04Å; A252-F275 HydrophobicContact CB-CD1 3.82Å; A252-F275 HydrophobicContact CB-CD2 4.11Å; A252-F275 HydrophobicContact CB-CE1 4.28Å; A252-F275 HydrophobicContact CB-CG 3.72Å; K253-F275 WeakPolarHBondContact O-CB 3.48Å; N254-F275 WeakPolarHBondContact O-CA 3.15Å; I255-F275 HydrophobicContact CG1-CB 4.14Å; L273-F275 HydrophobicContact CD1-CD1 3.7Å; L273-F275 HydrophobicContact CD1-CE1 4.41Å; F275-Y279 CarbonylContact O-C 3.51Å; F275-Y279 WeakPolarHBondContact O-CA 3.44Å; F275-Y279 PolarHBondContact O-N 3.28Å; F275-Q280 HydrophobicContact CD1-CB 4.21Å; F275-Q280 WeakPolarHBondContact CD1-O 3.16Å; F275-Q280 HydrophobicContact CD2-CB 4.29Å; F275-Q280 HydrophobicContact CE1-CB 3.7Å; F275-Q280 WeakPolarHBondContact CE1-O 3.33Å; F275-Q280 HydrophobicContact CE2-CB 3.78Å; F275-Q280 HydrophobicContact CG-CB 4.5Å; F275-Q280 HydrophobicContact CZ-CB 3.46Å; F275-Q280 VanDerWaalsContact CZ-CB 3.46Å; F275-Q280 HydrophobicContact CZ-CG 4.4Å; F275-Q280 PolarHBondContact N-O 3.39Å; F275-Q280 PolarHBondContact O-N 2.87Å; F275-F282 HydrophobicContact CE1-CB 4.23Å
276G87.8Confident92.2Very high13 Ų1339.5 Ų39.513%0.13420%0.196CC..THydrogen-bonded Turntrans73.1-179.7177.500000114.5K253 N254 W256 D278K253-G276 PolarHBondContact O-N 2.88Å; K253-G276 VanDerWaalsContact O-N 3.17Å; N254-G276 PolarHBondContact O-N 3.36Å; W256-G276 PolarHBondContact NE1-O 3.22Å; G276-D278 VanDerWaalsContact C-N 3.29Å
277L81.8Confident92.2Very high56 Ų5636.9 Ų36.929%0.29318%0.184SC..THydrogen-bonded Turntrans-67.8-29.5178.1-78.2168.4000112.7L127 D130 F133L127-L277 HydrophobicContact CD1-CG 4.34Å; L127-L277 HydrophobicContact CD2-CD2 4Å; L127-L277 HydrophobicContact CD2-CG 3.93Å; L127-L277 HydrophobicContact CG-CD2 3.68Å; L127-L277 HydrophobicContact CG-CG 3.81Å; L127-L277 WeakPolarHBondContact O-CD2 3.46Å; D130-L277 HydrophobicContact CB-CD1 4.1Å; D130-L277 HydrophobicContact CB-CD2 3.85Å; F133-L277 HydrophobicContact CB-CD2 3.99Å; F133-L277 HydrophobicContact CD2-CD2 3.93Å; F133-L277 HydrophobicContact CG-CD2 4.45Å
278D81.1Confident92.3Very high102 Ų10236.9 Ų36.955%0.54518%0.184SC..THydrogen-bonded Turntrans-92.92.7-176.560.1-18.7000113.3G276 Q280G276-D278 VanDerWaalsContact C-N 3.29Å; D278-Q280 VanDerWaalsContact C-N 3.26Å; D278-Q280 PolarHBondContact O-N 3.38Å; D278-Q280 PolarHBondContact OD1-NE2 3.47Å; D278-Q280 WeakPolarHBondContact OD2-CG 3.33Å; D278-Q280 PolarHBondContact OD2-NE2 3.44Å
279Y85Confident92.2Very high35 Ų3540.5 Ų40.514%0.13720%0.196CC..THydrogen-bonded Turntrans51.443.7-179.3-66.8-81000113.1F133 K134 L136 W256 K274 F275 T281F133-Y279 HydrophobicContact CE2-CE2 4.4Å; F133-Y279 VanDerWaalsContact CE2-OH 3.29Å; F133-Y279 WeakPolarHBondContact CE2-OH 3.35Å; K134-Y279 WeakPolarHBondContact O-CE2 3.15Å; L136-Y279 HydrophobicContact CB-CE1 3.87Å; L136-Y279 HydrophobicContact CD1-CD1 3.21Å; L136-Y279 HydrophobicContact CD1-CD2 4.21Å; L136-Y279 HydrophobicContact CD1-CE1 3.25Å; L136-Y279 HydrophobicContact CD1-CE2 4.25Å; L136-Y279 HydrophobicContact CD1-CG 3.7Å; L136-Y279 HydrophobicContact CG-CD1 4.47Å; L136-Y279 HydrophobicContact CG-CE1 4.1Å; L136-Y279 PolarHBondContact N-OH 3.38Å; W256-Y279 AromaticContact CD1-CD1 3.42Å; W256-Y279 VanDerWaalsContact CD1-CD1 3.42Å; W256-Y279 AromaticContact CD1-CE1 3.36Å; W256-Y279 HydrophobicContact CD2-CD1 4.45Å; W256-Y279 AromaticContact CD2-CE1 3.62Å; W256-Y279 HydrophobicContact CD2-CE1 3.62Å; W256-Y279 AromaticContact CE2-CE1 3.41Å; W256-Y279 VanDerWaalsContact CE2-CE1 3.41Å; W256-Y279 AromaticContact CE2-CZ 3.81Å; W256-Y279 HydrophobicContact CE3-CE1 4.43Å; W256-Y279 HydrophobicContact CG-CD1 4.03Å; W256-Y279 AromaticContact CG-CE1 3.61Å; W256-Y279 HydrophobicContact CG-CE1 3.61Å; W256-Y279 HydrophobicContact CZ2-CE1 4.12Å; W256-Y279 AromaticContact NE1-CD1 3.48Å; W256-Y279 AromaticContact NE1-CE1 3.21Å; W256-Y279 AromaticContact NE1-CZ 3.88Å; K274-Y279 HydrophobicContact CB-CD1 4.33Å; F275-Y279 CarbonylContact O-C 3.51Å; F275-Y279 WeakPolarHBondContact O-CA 3.44Å; F275-Y279 PolarHBondContact O-N 3.28Å; Y279-T281 PolarHBondContact O-N 3.48Å
280Q86.1Confident92Very high83 Ų8341.1 Ų41.139%0.38820%0.203SC..EExtended strand (participates in β ladder)trans-54.4132.6172.2-84.5175.685.600110.2A233 K274 F275 D278A233-Q280 HydrophobicContact CB-CB 4.12Å; A233-Q280 HydrophobicContact CB-CG 4.45Å; K274-Q280 CarbonylContact C-O 3.53Å; K274-Q280 VanDerWaalsContact CA-O 3.23Å; K274-Q280 WeakPolarHBondContact CA-O 3.37Å; F275-Q280 HydrophobicContact CD1-CB 4.21Å; F275-Q280 WeakPolarHBondContact CD1-O 3.16Å; F275-Q280 HydrophobicContact CD2-CB 4.29Å; F275-Q280 HydrophobicContact CE1-CB 3.7Å; F275-Q280 WeakPolarHBondContact CE1-O 3.33Å; F275-Q280 HydrophobicContact CE2-CB 3.78Å; F275-Q280 HydrophobicContact CG-CB 4.5Å; F275-Q280 HydrophobicContact CZ-CB 3.46Å; F275-Q280 VanDerWaalsContact CZ-CB 3.46Å; F275-Q280 HydrophobicContact CZ-CG 4.4Å; F275-Q280 PolarHBondContact N-O 3.39Å; F275-Q280 PolarHBondContact O-N 2.87Å; D278-Q280 VanDerWaalsContact C-N 3.26Å; D278-Q280 PolarHBondContact O-N 3.38Å; D278-Q280 PolarHBondContact OD1-NE2 3.47Å; D278-Q280 WeakPolarHBondContact OD2-CG 3.33Å; D278-Q280 PolarHBondContact OD2-NE2 3.44Å
281T90.3Very high91.9Very high35 Ų3540.1 Ų40.122%0.21520%0.2CC..EExtended strand (participates in β ladder)trans-94.8128.2179.7-55.30000109.5N232 A233 L273 Y279 E283N232-T281 CarbonylContact C-O 3.45Å; N232-T281 VanDerWaalsContact CA-O 3.23Å; N232-T281 WeakPolarHBondContact CA-O 3.18Å; N232-T281 WeakPolarHBondContact CB-O 3.4Å; A233-T281 PolarHBondContact N-O 2.9Å; L273-T281 WeakPolarHBondContact O-CA 3.25Å; Y279-T281 PolarHBondContact O-N 3.48Å; T281-E283 HydrophobicContact CG2-CB 4.41Å
282F93.4Very high91.8Very high7 Ų740.2 Ų40.23%0.03120%0.201CC..EExtended strand (participates in β ladder)trans-105.8125.4160.9174.8-93.4000108A233 C235 I250 V271 S272 L273 F275 R284A233-F282 WeakPolarHBondContact O-CD2 3.49Å; C235-F282 HydrophobicContact CB-CD2 3.44Å; C235-F282 VanDerWaalsContact CB-CD2 3.44Å; C235-F282 HydrophobicContact CB-CE2 3.8Å; C235-F282 HydrophobicContact CB-CG 4.13Å; I250-F282 HydrophobicContact CD1-CD1 4.33Å; I250-F282 HydrophobicContact CD1-CE1 3.69Å; I250-F282 HydrophobicContact CD1-CZ 4.36Å; I250-F282 HydrophobicContact CG1-CE1 4.31Å; I250-F282 HydrophobicContact CG2-CD1 4.12Å; I250-F282 HydrophobicContact CG2-CE1 4.06Å; I250-F282 HydrophobicContact CG2-CG 4.4Å; I250-F282 HydrophobicContact CG2-CZ 4.27Å; V271-F282 HydrophobicContact CB-CE1 4.2Å; V271-F282 HydrophobicContact CG1-CD1 4.01Å; V271-F282 HydrophobicContact CG1-CE1 3.89Å; S272-F282 CarbonylContact C-O 3.57Å; S272-F282 VanDerWaalsContact CA-O 3.31Å; S272-F282 WeakPolarHBondContact CA-O 3.25Å; L273-F282 HydrophobicContact CD1-CB 3.75Å; L273-F282 HydrophobicContact CD2-CD1 4.4Å; L273-F282 HydrophobicContact CG-CB 4.06Å; L273-F282 HydrophobicContact CG-CD1 4.24Å; L273-F282 PolarHBondContact N-O 3.47Å; L273-F282 PolarHBondContact O-N 3.31Å; F275-F282 HydrophobicContact CE1-CB 4.23Å; F282-R284 HydrophobicContact CE1-CB 4.03Å; F282-R284 HydrophobicContact CE2-CB 4.48Å; F282-R284 HydrophobicContact CZ-CB 3.8Å
283E94.1Very high91.7Very high90 Ų9041 Ų4142%0.42120%0.203SC..EExtended strand (participates in β ladder)trans-140.2126.7174.9-177.7-180-164.600109.6H270 V271 T281H270-E283 IonicContact CE1-OE1 3.35Å; H270-E283 PolarHBondContact CE1-OE1 3.43Å; H270-E283 IonicContact NE2-OE1 3.8Å; V271-E283 CarbonylContact O-C 3.42Å; V271-E283 WeakPolarHBondContact O-CA 3.07Å; T281-E283 HydrophobicContact CG2-CB 4.41Å
284R93.4Very high91.7Very high80 Ų8041.3 Ų41.330%0.30221%0.205SC..EExtended strand (participates in β ladder)trans-158.6141.8-179.5179.1170.8172.8176.8-3.9112.5V271 F282 F286 E322V271-R284 PolarHBondContact N-O 3.41Å; V271-R284 PolarHBondContact O-N 2.8Å; F282-R284 HydrophobicContact CE1-CB 4.03Å; F282-R284 HydrophobicContact CE2-CB 4.48Å; F282-R284 HydrophobicContact CZ-CB 3.8Å; R284-F286 HydrophobicContact CB-CE2 4.18Å; R284-F286 HydrophobicContact CB-CZ 4.47Å; R284-F286 HydrophobicContact CG-CD2 4.35Å; R284-F286 HydrophobicContact CG-CE1 4.5Å; R284-F286 HydrophobicContact CG-CE2 3.94Å; R284-F286 HydrophobicContact CG-CZ 4.03Å; R284-E322 IonicContact CZ-OE2 2.79Å; R284-E322 IonicContact NH2-OE2 3.69Å; R284-E322 PolarHBondContact NH2-OE2 2.87Å
285D93.5Very high91.8Very high89 Ų8945.9 Ų45.948%0.47623%0.225SC..EExtended strand (participates in β ladder)trans-93.2143.7165-66.6-24.8000112L269 H270L269-D285 CarbonylContact O-C 3.5Å; L269-D285 WeakPolarHBondContact O-CA 3.38Å; H270-D285 WeakPolarHBondContact CA-OD1 3.08Å; H270-D285 VanDerWaalsContact CB-OD1 3.29Å; H270-D285 WeakPolarHBondContact CB-OD1 3.16Å; H270-D285 IonicContact CE1-OD1 3.82Å; H270-D285 IonicContact CG-OD1 3.32Å; H270-D285 IonicContact ND1-OD1 2.66Å; H270-D285 PolarHBondContact ND1-OD1 3.33Å
286F95.1Very high91.9Very high1 Ų150.9 Ų50.90%0.00425%0.249CC..EExtended strand (participates in β ladder)trans-121.6124171.6-58.9-95.7000109.3F237 L248 V268 L269 V271 R284 L288 L321 E322F237-F286 HydrophobicContact CD2-CE1 4.03Å; F237-F286 HydrophobicContact CD2-CZ 4.41Å; F237-F286 AromaticContact CE2-CE1 3.85Å; F237-F286 HydrophobicContact CE2-CE1 3.85Å; F237-F286 HydrophobicContact CG-CE1 4.48Å; F237-F286 HydrophobicContact CG-CZ 4.46Å; F237-F286 HydrophobicContact CZ-CE1 4.2Å; L248-F286 HydrophobicContact CD1-CE1 4.44Å; L248-F286 HydrophobicContact CD1-CZ 4.46Å; L248-F286 HydrophobicContact CD2-CD1 4.48Å; L248-F286 HydrophobicContact CD2-CD2 4.13Å; L248-F286 HydrophobicContact CD2-CE1 4.15Å; L248-F286 HydrophobicContact CD2-CE2 3.8Å; L248-F286 HydrophobicContact CD2-CG 4.47Å; L248-F286 HydrophobicContact CD2-CZ 3.79Å; V268-F286 WeakPolarHBondContact CA-O 3.23Å; L269-F286 HydrophobicContact CB-CB 4.26Å; L269-F286 HydrophobicContact CD2-CD2 4.07Å; L269-F286 HydrophobicContact CG-CD2 4.31Å; L269-F286 PolarHBondContact N-O 2.99Å; L269-F286 PolarHBondContact O-N 2.97Å; V271-F286 HydrophobicContact CB-CE2 4.43Å; V271-F286 HydrophobicContact CG2-CD2 4.15Å; V271-F286 HydrophobicContact CG2-CE2 3.86Å; R284-F286 HydrophobicContact CB-CE2 4.18Å; R284-F286 HydrophobicContact CB-CZ 4.47Å; R284-F286 HydrophobicContact CG-CD2 4.35Å; R284-F286 HydrophobicContact CG-CE1 4.5Å; R284-F286 HydrophobicContact CG-CE2 3.94Å; R284-F286 HydrophobicContact CG-CZ 4.03Å; F286-L288 HydrophobicContact CB-CD2 4.31Å; F286-L288 PolarHBondContact O-N 3.22Å; F286-L321 HydrophobicContact CD1-CD2 3.82Å; F286-L321 HydrophobicContact CE1-CD2 4.09Å; F286-E322 WeakPolarHBondContact CA-OE1 3.35Å; F286-E322 HydrophobicContact CB-CG 4.33Å; F286-E322 HydrophobicContact CD1-CG 4.33Å
287N94.9Very high92.3Very high9 Ų950.4 Ų50.45%0.04824%0.243CC..EExtended strand (participates in β ladder)trans-90.387.5172.7-17829.6000108.9R102 I267 E322 S323R102-N287 PolarHBondContact NH2-OD1 3.26Å; I267-N287 CarbonylContact O-C 3.16Å; N287-E322 PolarHBondContact N-OE1 2.68Å; N287-E322 VanDerWaalsContact N-OE1 3.09Å; N287-E322 CarbonylContact O-C 3.57Å; N287-E322 WeakPolarHBondContact O-CA 3.1Å; N287-E322 WeakPolarHBondContact O-CB 3.38Å; N287-S323 PolarHBondContact O-N 2.72Å
288L96Very high93.1Very high0 Ų050.1 Ų50.10%024%0.241CC..BIsolated β-bridgetrans-56.4142.8-169.3-59.8173.9000113.1R102 I267 L269 F286 G290 I292 L310 W318 L321R102-L288 PolarHBondContact NH1-O 2.69Å; R102-L288 VanDerWaalsContact NH1-O 3.13Å; R102-L288 PolarHBondContact NH2-O 3.28Å; I267-L288 VanDerWaalsContact O-CB 3.31Å; I267-L288 WeakPolarHBondContact O-CB 3.4Å; I267-L288 PolarHBondContact O-N 3.33Å; L269-L288 HydrophobicContact CB-CD1 4.27Å; L269-L288 HydrophobicContact CB-CD2 4.26Å; L269-L288 HydrophobicContact CB-CG 4.33Å; F286-L288 HydrophobicContact CB-CD2 4.31Å; F286-L288 PolarHBondContact O-N 3.22Å; L288-G290 PolarHBondContact O-N 2.65Å; L288-I292 HydrophobicContact CD1-CG1 3.96Å; L288-I292 HydrophobicContact CD1-CG2 4.06Å; L288-L310 HydrophobicContact CD1-CD1 3.92Å; L288-L310 HydrophobicContact CD2-CD1 3.84Å; L288-W318 HydrophobicContact CB-CH2 3.7Å; L288-W318 HydrophobicContact CB-CZ3 3.84Å; L288-W318 HydrophobicContact CD1-CH2 4.44Å; L288-W318 HydrophobicContact CD2-CH2 4.43Å; L288-W318 HydrophobicContact CD2-CZ3 4.13Å; L288-W318 HydrophobicContact CG-CH2 4.42Å; L288-W318 HydrophobicContact CG-CZ3 4.5Å; L288-L321 CarbonylContact C-O 3.58Å; L288-L321 WeakPolarHBondContact CA-O 3.1Å; L288-L321 HydrophobicContact CD2-CD1 4.3Å
289Y94.6Very high93.9Very high92 Ų9245.3 Ų45.336%0.36122%0.216SC..SBendtrans-59.9-44.2-177.2174.6-88.1000112.7R102 W318 P319 T320 L321R102-Y289 PolarHBondContact NH1-O 3.19Å; Y289-W318 HydrophobicContact CD1-CB 4.03Å; Y289-W318 AromaticContact CD1-CD1 3.71Å; Y289-W318 HydrophobicContact CD1-CD2 4Å; Y289-W318 AromaticContact CD1-CG 3.65Å; Y289-W318 HydrophobicContact CD1-CG 3.65Å; Y289-W318 HydrophobicContact CG-CB 4.39Å; Y289-W318 HydrophobicContact CG-CD2 4.36Å; Y289-W318 HydrophobicContact CG-CG 4.25Å; Y289-P319 HydrophobicContact CD2-CG 4.05Å; Y289-P319 HydrophobicContact CE1-CG 4.33Å; Y289-P319 HydrophobicContact CE2-CG 3.44Å; Y289-P319 VanDerWaalsContact CE2-CG 3.44Å; Y289-T320 WeakPolarHBondContact CB-O 3.46Å; Y289-L321 PolarHBondContact N-O 3.46Å
290G92.5Very high94.5Very high14 Ų1447 Ų4714%0.14422%0.224CC..SBendtrans-128.7179178.900000112.9L288 W318L288-G290 PolarHBondContact O-N 2.65Å; G290-W318 VanDerWaalsContact CA-CZ2 3.41Å; G290-W318 WeakPolarHBondContact O-CH2 3.3Å; G290-W318 WeakPolarHBondContact O-CZ2 3.35Å
291S94.5Very high95.1Very high18 Ų1843.1 Ų43.113%0.12621%0.205CC..  trans-75.3141.4178.4-58.20000112.1P103 Q266 A313P103-S291 WeakPolarHBondContact CD-OG 3.39Å; Q266-S291 CarbonylContact O-C 3.49Å; Q266-S291 VanDerWaalsContact O-CA 3.24Å; Q266-S291 WeakPolarHBondContact O-CA 3.45Å; S291-A313 WeakPolarHBondContact O-CB 3.22Å; S291-A313 PolarHBondContact O-N 3.02Å
292I95.6Very high95.4Very high1 Ų143.8 Ų43.81%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-117.4161.5174.565.5106.5000110.7V264 N265 Q266 L288 P294 L310 K311 W318V264-I292 HydrophobicContact CG1-CD1 4.17Å; V264-I292 HydrophobicContact CG2-CD1 3.8Å; V264-I292 HydrophobicContact CG2-CG1 4.41Å; N265-I292 WeakPolarHBondContact O-CD1 3.41Å; Q266-I292 WeakPolarHBondContact O-CG1 3.46Å; Q266-I292 PolarHBondContact O-N 3.46Å; L288-I292 HydrophobicContact CD1-CG1 3.96Å; L288-I292 HydrophobicContact CD1-CG2 4.06Å; I292-P294 HydrophobicContact CD1-CB 4.33Å; I292-P294 HydrophobicContact CD1-CG 3.82Å; I292-P294 WeakPolarHBondContact O-CD 3.4Å; I292-L310 HydrophobicContact CB-CB 4.42Å; I292-L310 HydrophobicContact CD1-CD2 4.31Å; I292-L310 HydrophobicContact CG2-CB 4.02Å; I292-L310 HydrophobicContact CG2-CD1 4.45Å; I292-K311 CarbonylContact C-O 3.48Å; I292-K311 WeakPolarHBondContact CA-O 3.47Å; I292-K311 VanDerWaalsContact CB-O 3.28Å; I292-K311 WeakPolarHBondContact CB-O 3.23Å; I292-W318 HydrophobicContact CG2-CH2 3.68Å; I292-W318 HydrophobicContact CG2-CZ2 3.9Å
293D95Very high95.4Very high42 Ų4244.6 Ų44.623%0.22521%0.212CC..EExtended strand (participates in β ladder)trans-97.8105.2166.7-179.50.3000109.6K295 Q296 S297 K311D293-K295 PolarHBondContact O-N 3.11Å; D293-K295 WeakPolarHBondContact OD1-CB 3.49Å; D293-K295 PolarHBondContact OD1-N 2.87Å; D293-Q296 PolarHBondContact O-N 2.89Å; D293-Q296 PolarHBondContact OD2-NE2 3.02Å; D293-S297 PolarHBondContact O-N 2.77Å; D293-S297 PolarHBondContact O-OG 3.08Å; D293-K311 HydrophobicContact CB-CB 4.45Å; D293-K311 HydrophobicContact CB-CG 4.43Å; D293-K311 PolarHBondContact N-O 3.31Å
294P94.8Very high95.4Very high5 Ų545.2 Ų45.23%0.03222%0.218CC..EExtended strand (participates in β ladder)trans-60.6-27.7-179.8-28.637.7000113.7R110 L112 V264 I292 Q296 S297R110-P294 HydrophobicContact CG-CB 3.84Å; L112-P294 VanDerWaalsContact CD2-O 3.27Å; L112-P294 WeakPolarHBondContact CD2-O 3.26Å; V264-P294 HydrophobicContact CG1-CB 3.65Å; V264-P294 HydrophobicContact CG1-CG 4Å; I292-P294 HydrophobicContact CD1-CB 4.33Å; I292-P294 HydrophobicContact CD1-CG 3.82Å; I292-P294 WeakPolarHBondContact O-CD 3.4Å; P294-Q296 VanDerWaalsContact C-N 3.3Å; P294-Q296 PolarHBondContact O-N 2.81Å; P294-S297 PolarHBondContact O-N 3.25Å
295K94.8Very high95.6Very high172 Ų17243.1 Ų43.175%0.74821%0.211SC*.EExtended strand (participates in β ladder)trans-71.6-27.4-176.2-62.3-175.5176.61770112.7R110 D293R110-K295 VanDerWaalsContact NH1-CG 3.32Å; D293-K295 PolarHBondContact O-N 3.11Å; D293-K295 WeakPolarHBondContact OD1-CB 3.49Å; D293-K295 PolarHBondContact OD1-N 2.87Å
296Q94.8Very high95.8Very high125 Ų12539 Ų3958%0.58419%0.189SC*.EExtended strand (participates in β ladder)trans-101.37.4179.6-69.1-177.670.100112.5D293 P294 K311D293-Q296 PolarHBondContact O-N 2.89Å; D293-Q296 PolarHBondContact OD2-NE2 3.02Å; P294-Q296 VanDerWaalsContact C-N 3.3Å; P294-Q296 PolarHBondContact O-N 2.81Å; Q296-K311 HydrophobicContact CB-CB 3.64Å; Q296-K311 HydrophobicContact CB-CG 3.79Å
297S97.3Very high95.9Very high2 Ų240.2 Ų40.21%0.01420%0.195CC..EExtended strand (participates in β ladder)trans-96.9147.9178.7-59.30000109.9P113 D293 P294 I309 L310 K311P113-S297 WeakPolarHBondContact CD-O 3.37Å; P113-S297 WeakPolarHBondContact CG-O 3.42Å; D293-S297 PolarHBondContact O-N 2.77Å; D293-S297 PolarHBondContact O-OG 3.08Å; P294-S297 PolarHBondContact O-N 3.25Å; S297-I309 CarbonylContact C-O 3.4Å; S297-I309 WeakPolarHBondContact CA-O 3.23Å; S297-I309 WeakPolarHBondContact CB-O 3.49Å; S297-L310 WeakPolarHBondContact OG-CA 3.13Å; S297-K311 PolarHBondContact OG-N 3.24Å
298I97.5Very high96.1Very high51 Ų5139.8 Ų39.826%0.26219%0.193SC..EExtended strand (participates in β ladder)trans-146.5152.5-173.8-170.5166.3000111.1P113 E115 I309P113-I298 HydrophobicContact CG-CB 4.35Å; P113-I298 HydrophobicContact CG-CG1 4.22Å; E115-I298 HydrophobicContact CB-CD1 4.38Å; I298-I309 HydrophobicContact CG2-CB 4.04Å; I298-I309 HydrophobicContact CG2-CD1 4.22Å; I298-I309 PolarHBondContact N-O 3.11Å; I298-I309 PolarHBondContact O-N 2.6Å
299V98.2Very high96.2Very high1 Ų141.3 Ų41.31%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-113.9129.7175.6-174.90000109.1L112 P113 L114 E115 I262 L301 E307 I308L112-V299 HydrophobicContact CB-CG2 3.77Å; L112-V299 HydrophobicContact CD1-CG2 4.02Å; P113-V299 PolarHBondContact O-N 3.46Å; L114-V299 HydrophobicContact CD1-CB 3.77Å; L114-V299 HydrophobicContact CD1-CG1 3.56Å; E115-V299 PolarHBondContact N-O 3.49Å; I262-V299 HydrophobicContact CB-CG2 3.96Å; I262-V299 HydrophobicContact CG1-CG1 4.26Å; I262-V299 HydrophobicContact CG1-CG2 3.86Å; I262-V299 HydrophobicContact CG2-CG2 3.92Å; V299-L301 HydrophobicContact CG1-CD2 4.15Å; V299-E307 CarbonylContact C-O 3.56Å; V299-E307 WeakPolarHBondContact CA-O 3.41Å; V299-I308 HydrophobicContact CG1-CG1 4.15Å; V299-I308 HydrophobicContact CG2-CG1 4.26Å; V299-I308 HydrophobicContact CG2-CG2 4.39Å
300K97.9Very high96.4Very high71 Ų7136.9 Ų36.931%0.30918%0.183SC..EExtended strand (participates in β ladder)trans-115.1121.8175.3-63.8-176.3176.6-1750110.2E115 E307 I309E115-K300 HydrophobicContact CB-CG 4.31Å; E115-K300 CarbonylContact O-C 3.36Å; E115-K300 WeakPolarHBondContact O-CA 3.37Å; E115-K300 WeakPolarHBondContact OE2-CE 3.48Å; K300-E307 HydrophobicContact CB-CB 4.33Å; K300-E307 PolarHBondContact N-O 2.87Å; K300-E307 PolarHBondContact O-N 3.16Å; K300-I309 HydrophobicContact CD-CD1 4.14Å
301L98.2Very high96.6Very high0 Ų039.2 Ų39.20%019%0.189CC..EExtended strand (participates in β ladder)trans-96127.2176.3-58.1-174.3000110.8L114 E115 V116 A117 L120 I255 P257 V260 V299 A306L114-L301 HydrophobicContact CD1-CD1 3.83Å; L114-L301 HydrophobicContact CD1-CD2 3.99Å; L114-L301 HydrophobicContact CD1-CG 3.64Å; L114-L301 HydrophobicContact CD2-CD1 3.98Å; L114-L301 HydrophobicContact CG-CD1 4.15Å; L114-L301 HydrophobicContact CG-CG 4.28Å; E115-L301 PolarHBondContact O-N 3.47Å; V116-L301 HydrophobicContact CG2-CD1 4.35Å; A117-L301 WeakPolarHBondContact CB-O 3.29Å; A117-L301 PolarHBondContact N-O 3.36Å; L120-L301 HydrophobicContact CD2-CB 3.43Å; L120-L301 VanDerWaalsContact CD2-CB 3.43Å; L120-L301 HydrophobicContact CD2-CD1 4.34Å; I255-L301 HydrophobicContact CD1-CD2 4.35Å; I255-L301 HydrophobicContact CG2-CD1 4.34Å; I255-L301 HydrophobicContact CG2-CD2 4.32Å; P257-L301 HydrophobicContact CB-CD1 3.88Å; P257-L301 HydrophobicContact CG-CD1 4.03Å; V260-L301 HydrophobicContact CG2-CD1 3.9Å; V260-L301 HydrophobicContact CG2-CD2 4.33Å; V299-L301 HydrophobicContact CG1-CD2 4.15Å; L301-A306 HydrophobicContact CD2-CB 3.68Å
302M96.5Very high96.6Very high50 Ų5039.3 Ų39.325%0.24619%0.188CC..EExtended strand (participates in β ladder)trans-122.5164.3175.9-72.6172.1-94.200110A117 L304 K305 E307A117-M302 HydrophobicContact CB-CG 4.38Å; M302-L304 PolarHBondContact O-N 3.44Å; M302-K305 WeakPolarHBondContact CA-O 3.36Å; M302-K305 HydrophobicContact CB-CG 4.35Å; M302-K305 WeakPolarHBondContact CB-O 3.47Å; M302-K305 HydrophobicContact CE-CD 4.26Å; M302-K305 HydrophobicContact CE-CG 3.98Å; M302-K305 PolarHBondContact N-O 3.37Å; M302-K305 PolarHBondContact O-N 3.49Å; M302-K305 VanDerWaalsContact O-O 3.11Å; M302-K305 HydrophobicContact SD-CG 4.42Å; M302-E307 HydrophobicContact CE-CB 3.48Å; M302-E307 VanDerWaalsContact CE-CB 3.48Å; M302-E307 HydrophobicContact CE-CG 4.28Å
303P94.1Very high96.5Very high23 Ų2342 Ų4215%0.14921%0.209CC..THydrogen-bonded Turntrans-54.4-30.3-179.5-28.434.5000115.3N119 L120 A123 K253 N254N119-P303 HydrophobicContact CB-CG 4.17Å; N119-P303 WeakPolarHBondContact ND2-CD 3.37Å; N119-P303 WeakPolarHBondContact OD1-CD 3.12Å; L120-P303 HydrophobicContact CB-CG 4.32Å; A123-P303 HydrophobicContact CB-CB 4.44Å; K253-P303 CarbonylContact C-O 3.56Å; K253-P303 WeakPolarHBondContact CA-O 3.22Å; N254-P303 PolarHBondContact N-O 2.8Å
304L95.4Very high96.2Very high104 Ų10443.3 Ų43.355%0.54522%0.215SC..THydrogen-bonded Turntrans-114.7-9.9-173.1-59179.5000114.2A252 K253 M302A252-L304 PolarHBondContact N-O 3.41Å; A252-L304 CarbonylContact O-C 3.59Å; K253-L304 HydrophobicContact CD-CD2 4.13Å; K253-L304 HydrophobicContact CG-CD2 3.83Å; M302-L304 PolarHBondContact O-N 3.44Å
305K96.4Very high95.8Very high36 Ų3649.4 Ų49.416%0.15725%0.254CS..EExtended strand (participates in β ladder)trans-159.3154.3-176.265.4176-167.7150.70113.2D249 I250 Y251 A252 M302 E307D249-K305 HydrophobicContact CB-CD 4.25Å; D249-K305 IonicContact OD1-NZ 2.71Å; D249-K305 PolarHBondContact OD1-NZ 2.7Å; D249-K305 IonicContact OD2-NZ 3.84Å; D249-K305 PolarHBondContact OD2-NZ 2.66Å; I250-K305 CarbonylContact O-C 3.59Å; I250-K305 WeakPolarHBondContact O-CA 3.44Å; I250-K305 VanDerWaalsContact O-CB 3.31Å; I250-K305 WeakPolarHBondContact O-CB 3.45Å; Y251-K305 HydrophobicContact CD1-CB 4.24Å; Y251-K305 HydrophobicContact CE1-CD 4.35Å; A252-K305 PolarHBondContact O-N 2.85Å; M302-K305 WeakPolarHBondContact CA-O 3.36Å; M302-K305 HydrophobicContact CB-CG 4.35Å; M302-K305 WeakPolarHBondContact CB-O 3.47Å; M302-K305 HydrophobicContact CE-CD 4.26Å; M302-K305 HydrophobicContact CE-CG 3.98Å; M302-K305 PolarHBondContact N-O 3.37Å; M302-K305 PolarHBondContact O-N 3.49Å; M302-K305 VanDerWaalsContact O-O 3.11Å; M302-K305 HydrophobicContact SD-CG 4.42Å; K305-E307 IonicContact NZ-OE1 2.8Å; K305-E307 PolarHBondContact NZ-OE1 2.86Å
306A98.1Very high95.3Very high1 Ų144.9 Ų44.91%0.00824%0.237CC..EExtended strand (participates in β ladder)trans-97.1129.1158.200000109D249 I250 I255 L273 L301D249-A306 CarbonylContact C-O 3.6Å; D249-A306 WeakPolarHBondContact CA-O 3.37Å; I250-A306 PolarHBondContact N-O 3.24Å; I250-A306 PolarHBondContact O-N 3.01Å; I255-A306 HydrophobicContact CD1-CB 3.67Å; L273-A306 HydrophobicContact CD2-CB 4.26Å; L301-A306 HydrophobicContact CD2-CB 3.68Å
307E97.9Very high95.1Very high28 Ų2844 Ų4413%0.13124%0.24CC..EExtended strand (participates in β ladder)trans-110.5108.8178.4-178.7176.4-84.200108.9T247 D249 V299 K300 M302 K305 I309T247-E307 HydrophobicContact CG2-CG 3.45Å; T247-E307 VanDerWaalsContact CG2-CG 3.45Å; D249-E307 WeakPolarHBondContact OD1-CB 3.47Å; D249-E307 WeakPolarHBondContact OD1-CG 3.46Å; V299-E307 CarbonylContact C-O 3.56Å; V299-E307 WeakPolarHBondContact CA-O 3.41Å; K300-E307 HydrophobicContact CB-CB 4.33Å; K300-E307 PolarHBondContact N-O 2.87Å; K300-E307 PolarHBondContact O-N 3.16Å; M302-E307 HydrophobicContact CE-CB 3.48Å; M302-E307 VanDerWaalsContact CE-CB 3.48Å; M302-E307 HydrophobicContact CE-CG 4.28Å; K305-E307 IonicContact NZ-OE1 2.8Å; K305-E307 PolarHBondContact NZ-OE1 2.86Å; E307-I309 HydrophobicContact CG-CD1 4.5Å; E307-I309 HydrophobicContact CG-CG1 4.11Å
308I98.4Very high94.8Very high0 Ų044.3 Ų44.30%024%0.241CC..EExtended strand (participates in β ladder)trans-99.9110.3-179-57.1168.7000107.8L112 T247 L248 I250 I262 L269 V271 V299 L310L112-I308 HydrophobicContact CD1-CG2 4.24Å; T247-I308 CarbonylContact C-O 3.6Å; T247-I308 WeakPolarHBondContact CA-O 3.49Å; L248-I308 HydrophobicContact CB-CB 4.31Å; L248-I308 HydrophobicContact CD2-CD1 4.18Å; L248-I308 PolarHBondContact N-O 3.37Å; L248-I308 PolarHBondContact O-N 2.8Å; I250-I308 HydrophobicContact CD1-CD1 3.84Å; I262-I308 HydrophobicContact CD1-CD1 4.18Å; I262-I308 HydrophobicContact CG2-CD1 4.35Å; L269-I308 HydrophobicContact CD1-CG2 4.44Å; L269-I308 HydrophobicContact CD2-CD1 4.29Å; L269-I308 HydrophobicContact CD2-CG2 4.26Å; V271-I308 HydrophobicContact CG1-CD1 4.33Å; V271-I308 HydrophobicContact CG2-CD1 3.67Å; V299-I308 HydrophobicContact CG1-CG1 4.15Å; V299-I308 HydrophobicContact CG2-CG1 4.26Å; V299-I308 HydrophobicContact CG2-CG2 4.39Å; I308-L310 HydrophobicContact CG2-CD2 3.71Å; I308-L310 HydrophobicContact CG2-CG 4.12Å
309I97.6Very high94.5Very high31 Ų3146.1 Ų46.116%0.15926%0.256CS..EExtended strand (participates in β ladder)trans-101.2110.1-178.1-53.5172.2000108.3C245 T247 S297 I298 K300 E307C245-I309 HydrophobicContact CB-CG2 4.07Å; T247-I309 HydrophobicContact CG2-CG1 4.12Å; S297-I309 CarbonylContact C-O 3.4Å; S297-I309 WeakPolarHBondContact CA-O 3.23Å; S297-I309 WeakPolarHBondContact CB-O 3.49Å; I298-I309 HydrophobicContact CG2-CB 4.04Å; I298-I309 HydrophobicContact CG2-CD1 4.22Å; I298-I309 PolarHBondContact N-O 3.11Å; I298-I309 PolarHBondContact O-N 2.6Å; K300-I309 HydrophobicContact CD-CD1 4.14Å; E307-I309 HydrophobicContact CG-CD1 4.5Å; E307-I309 HydrophobicContact CG-CG1 4.11Å
310L98Very high94.3Very high0 Ų048.5 Ų48.50%027%0.271CS..EExtended strand (participates in β ladder)trans-101.6122.7-179.3-54.7176000110.5L112 C245 V246 L269 L288 I292 S297 I308 K312L112-L310 HydrophobicContact CD1-CD2 4.05Å; C245-L310 CarbonylContact C-O 3.56Å; C245-L310 WeakPolarHBondContact CA-O 3.47Å; C245-L310 WeakPolarHBondContact CB-O 3.14Å; V246-L310 PolarHBondContact N-O 3.13Å; V246-L310 PolarHBondContact O-N 3.17Å; L269-L310 HydrophobicContact CD2-CD1 4.29Å; L288-L310 HydrophobicContact CD1-CD1 3.92Å; L288-L310 HydrophobicContact CD2-CD1 3.84Å; I292-L310 HydrophobicContact CB-CB 4.42Å; I292-L310 HydrophobicContact CD1-CD2 4.31Å; I292-L310 HydrophobicContact CG2-CB 4.02Å; I292-L310 HydrophobicContact CG2-CD1 4.45Å; S297-L310 WeakPolarHBondContact OG-CA 3.13Å; I308-L310 HydrophobicContact CG2-CD2 3.71Å; I308-L310 HydrophobicContact CG2-CG 4.12Å; L310-K312 PolarHBondContact O-N 3.22Å
311K96.9Very high94.2Very high62 Ų6245.5 Ų45.527%0.2726%0.258SS..EExtended strand (participates in β ladder)trans-76118.5173.9-178.461.6173-177.70109.3I292 D293 Q296 S297 A313I292-K311 CarbonylContact C-O 3.48Å; I292-K311 WeakPolarHBondContact CA-O 3.47Å; I292-K311 VanDerWaalsContact CB-O 3.28Å; I292-K311 WeakPolarHBondContact CB-O 3.23Å; D293-K311 HydrophobicContact CB-CB 4.45Å; D293-K311 HydrophobicContact CB-CG 4.43Å; D293-K311 PolarHBondContact N-O 3.31Å; Q296-K311 HydrophobicContact CB-CB 3.64Å; Q296-K311 HydrophobicContact CB-CG 3.79Å; S297-K311 PolarHBondContact OG-N 3.24Å; K311-A313 PolarHBondContact O-N 3.18Å
312K95.4Very high94Very high21 Ų2148.2 Ų48.29%0.09127%0.271CS..EExtended strand (participates in β ladder)trans-66.3136.7174.3-62.8-175.6-79-173.60109.6Q241 G244 V246 L310 E314 I316 W318Q241-K312 VanDerWaalsContact OE1-NZ 3.16Å; G244-K312 VanDerWaalsContact C-CE 3.44Å; G244-K312 VanDerWaalsContact O-CB 3.24Å; G244-K312 WeakPolarHBondContact O-CB 3.44Å; G244-K312 WeakPolarHBondContact O-CG 3.13Å; G244-K312 PolarHBondContact O-N 2.96Å; V246-K312 HydrophobicContact CG2-CD 3.77Å; V246-K312 HydrophobicContact CG2-CG 3.84Å; L310-K312 PolarHBondContact O-N 3.22Å; K312-E314 VanDerWaalsContact C-N 3.27Å; K312-E314 WeakPolarHBondContact CB-O 3.2Å; K312-I316 WeakPolarHBondContact CD-O 3.29Å; K312-I316 PolarHBondContact NZ-O 3.44Å; K312-W318 HydrophobicContact CD-CG 4.46Å; K312-W318 HydrophobicContact CG-CZ2 4.3Å
313A92.9Very high93.7Very high56 Ų5646.8 Ų46.846%0.46327%0.266SS..SBendtrans-70.9-29.917300000111.2S291 K311S291-A313 WeakPolarHBondContact O-CB 3.22Å; S291-A313 PolarHBondContact O-N 3.02Å; K311-A313 PolarHBondContact O-N 3.18Å
314E88.1Confident92.9Very high71 Ų7154.7 Ų54.733%0.33230%0.298SS..SBendtrans-118.9144.5-177.1-63.7175.3-175.200111K312 I316K312-E314 VanDerWaalsContact C-N 3.27Å; K312-E314 WeakPolarHBondContact CB-O 3.2Å; E314-I316 HydrophobicContact CB-CD1 4.08Å; E314-I316 HydrophobicContact CB-CG1 4.04Å; E314-I316 PolarHBondContact O-N 3.06Å; E314-I316 WeakPolarHBondContact OE2-CD1 3.34Å
315P86.6Confident91.4Very high132 Ų13255.9 Ų55.986%0.85730%0.304SS*.SBendtrans-78.148.5178.734.7-36.4000111.8
316I85.8Confident89.3Confident78 Ų7860.2 Ų60.240%0.433%0.328SS..  trans-108.5141.9-177.6-58.3178.1000110K312 E314K312-I316 WeakPolarHBondContact CD-O 3.29Å; K312-I316 PolarHBondContact NZ-O 3.44Å; E314-I316 HydrophobicContact CB-CD1 4.08Å; E314-I316 HydrophobicContact CB-CG1 4.04Å; E314-I316 PolarHBondContact O-N 3.06Å; E314-I316 WeakPolarHBondContact OE2-CD1 3.34Å
317T89.1Confident86.9Confident106 Ų10663.2 Ų63.265%0.6534%0.344SS*.  trans-78.3127172.6-58.60000110.2
318W92.4Very high84Confident8 Ų869.9 Ų69.93%0.0338%0.375CS..  trans-86.2123.4178.2-70.817.6000109.6W239 Q241 V246 L288 Y289 G290 I292 K312 T320 L321W239-W318 HydrophobicContact CH2-CB 4.46Å; W239-W318 WeakPolarHBondContact CH2-O 3.41Å; W239-W318 HydrophobicContact CZ3-CB 4.33Å; Q241-W318 PolarHBondContact NE2-O 3.42Å; V246-W318 HydrophobicContact CG1-CE3 4.43Å; V246-W318 HydrophobicContact CG1-CZ3 4.46Å; V246-W318 HydrophobicContact CG2-CD2 3.87Å; V246-W318 HydrophobicContact CG2-CE3 3.85Å; V246-W318 HydrophobicContact CG2-CG 4.32Å; V246-W318 HydrophobicContact CG2-CH2 4.47Å; V246-W318 HydrophobicContact CG2-CZ3 4.17Å; L288-W318 HydrophobicContact CB-CH2 3.7Å; L288-W318 HydrophobicContact CB-CZ3 3.84Å; L288-W318 HydrophobicContact CD1-CH2 4.44Å; L288-W318 HydrophobicContact CD2-CH2 4.43Å; L288-W318 HydrophobicContact CD2-CZ3 4.13Å; L288-W318 HydrophobicContact CG-CH2 4.42Å; L288-W318 HydrophobicContact CG-CZ3 4.5Å; Y289-W318 HydrophobicContact CD1-CB 4.03Å; Y289-W318 AromaticContact CD1-CD1 3.71Å; Y289-W318 HydrophobicContact CD1-CD2 4Å; Y289-W318 AromaticContact CD1-CG 3.65Å; Y289-W318 HydrophobicContact CD1-CG 3.65Å; Y289-W318 HydrophobicContact CG-CB 4.39Å; Y289-W318 HydrophobicContact CG-CD2 4.36Å; Y289-W318 HydrophobicContact CG-CG 4.25Å; G290-W318 VanDerWaalsContact CA-CZ2 3.41Å; G290-W318 WeakPolarHBondContact O-CH2 3.3Å; G290-W318 WeakPolarHBondContact O-CZ2 3.35Å; I292-W318 HydrophobicContact CG2-CH2 3.68Å; I292-W318 HydrophobicContact CG2-CZ2 3.9Å; K312-W318 HydrophobicContact CD-CG 4.46Å; K312-W318 HydrophobicContact CG-CZ2 4.3Å; W318-T320 VanDerWaalsContact C-N 3.35Å; W318-L321 HydrophobicContact CZ3-CD1 4.49Å
319P91.4Very high81.1Confident89 Ų8973.6 Ų73.658%0.57840%0.401SS*.SBendtrans-75.5-2717630.5-33.7000112.2Y289Y289-P319 HydrophobicContact CD2-CG 4.05Å; Y289-P319 HydrophobicContact CE1-CG 4.33Å; Y289-P319 HydrophobicContact CE2-CG 3.44Å; Y289-P319 VanDerWaalsContact CE2-CG 3.44Å
320T94.1Very high78.2Confident51 Ų5178.5 Ų78.531%0.31342%0.423SS..SBendtrans-136.5157.1176.152.80000109.3Y289 W318 E322Y289-T320 WeakPolarHBondContact CB-O 3.46Å; W318-T320 VanDerWaalsContact C-N 3.35Å; T320-E322 VanDerWaalsContact C-N 3.31Å; T320-E322 PolarHBondContact OG1-O 3.06Å
321L94.5Very high75.2Confident8 Ų885.9 Ų85.94%0.04246%0.46CS..SBendtrans-64.8-40.9172.1-179.961.5000111.1F237 W239 V246 L248 F286 L288 Y289 W318F237-L321 HydrophobicContact CE2-CD2 4.45Å; W239-L321 HydrophobicContact CB-CD1 4.24Å; W239-L321 HydrophobicContact CB-CD2 4.24Å; W239-L321 HydrophobicContact CD2-CB 3.76Å; W239-L321 HydrophobicContact CD2-CD1 4.26Å; W239-L321 HydrophobicContact CD2-CG 4.49Å; W239-L321 HydrophobicContact CE3-CB 4.4Å; W239-L321 HydrophobicContact CE3-CD1 4.39Å; W239-L321 HydrophobicContact CG-CB 3.84Å; W239-L321 HydrophobicContact CG-CD1 4.18Å; W239-L321 HydrophobicContact CG-CD2 4.14Å; W239-L321 HydrophobicContact CG-CG 4.28Å; W239-L321 HydrophobicContact CZ2-CB 4.38Å; W239-L321 VanDerWaalsContact CZ2-N 3.28Å; V246-L321 HydrophobicContact CG1-CD1 3.8Å; L248-L321 HydrophobicContact CD1-CD2 3.95Å; F286-L321 HydrophobicContact CD1-CD2 3.82Å; F286-L321 HydrophobicContact CE1-CD2 4.09Å; L288-L321 CarbonylContact C-O 3.58Å; L288-L321 WeakPolarHBondContact CA-O 3.1Å; L288-L321 HydrophobicContact CD2-CD1 4.3Å; Y289-L321 PolarHBondContact N-O 3.46Å; W318-L321 HydrophobicContact CZ3-CD1 4.49Å
322E94.4Very high72.2Confident57 Ų5789.1 Ų89.127%0.26648%0.48SS..BIsolated β-bridgetrans-112.9149.2-172.7-63.1-174.181.900112.5R284 F286 N287 T320R284-E322 IonicContact CZ-OE2 2.79Å; R284-E322 IonicContact NH2-OE2 3.69Å; R284-E322 PolarHBondContact NH2-OE2 2.87Å; F286-E322 WeakPolarHBondContact CA-OE1 3.35Å; F286-E322 HydrophobicContact CB-CG 4.33Å; F286-E322 HydrophobicContact CD1-CG 4.33Å; N287-E322 PolarHBondContact N-OE1 2.68Å; N287-E322 VanDerWaalsContact N-OE1 3.09Å; N287-E322 CarbonylContact O-C 3.57Å; N287-E322 WeakPolarHBondContact O-CA 3.1Å; N287-E322 WeakPolarHBondContact O-CB 3.38Å; T320-E322 VanDerWaalsContact C-N 3.31Å; T320-E322 PolarHBondContact OG1-O 3.06Å
323S90Very high69.3Low21 Ų2194.6 Ų94.615%0.14751%0.51CS..  trans-75.9131.3169.8-1800000110.2N287 L325N287-S323 PolarHBondContact O-N 2.72Å; S323-L325 VanDerWaalsContact C-N 3.27Å; S323-L325 PolarHBondContact OG-N 2.78Å
324K77.9Confident66.6Low189 Ų18999 Ų9982%0.82253%0.526SS*.SBendtrans-77.1-14.3173.1-65.6-174.4179.2-177.90113.2L326K324-L326 PolarHBondContact O-N 2.72Å; K324-L326 VanDerWaalsContact O-N 3.14Å
325L62.9Low64.1Low129 Ų129104.7 Ų104.768%0.67555%0.55SS*.  trans-81.994.4177.6-63.3170.3000107.4S323 D327S323-L325 VanDerWaalsContact C-N 3.27Å; S323-L325 PolarHBondContact OG-N 2.78Å; L325-D327 PolarHBondContact O-N 3.23Å
326L53.8Low61.5Low126 Ų126107.1 Ų107.166%0.6655%0.55SS*.  trans-66.9116.3156.1-69.4166.9000105.6K324 H328K324-L326 PolarHBondContact O-N 2.72Å; K324-L326 VanDerWaalsContact O-N 3.14Å; L326-H328 PolarHBondContact O-N 2.83Å
327D46.3Very low59Low64 Ų64109.7 Ų109.734%0.34257%0.569SS.*  trans-53.2116.1-177.6-77.3-45000110.5L325 S329L325-D327 PolarHBondContact O-N 3.23Å; D327-S329 PolarHBondContact O-N 3.12Å
328H37.6Very low56.4Low169 Ų169112.5 Ų112.578%0.78258%0.579SS**THydrogen-bonded Turntrans-66.47.2172.2-87-69.9000113.2L326L326-H328 PolarHBondContact O-N 2.83Å
329S36.7Very low53.5Low78 Ų78121 Ų12155%0.54562%0.618SS.*THydrogen-bonded Turntrans-84-9.6-177.755.60000114.8D327D327-S329 PolarHBondContact O-N 3.12Å
330E38.2Very low50.7Low133 Ų133124.3 Ų124.362%0.62163%0.631SS**SBendtrans-92.4-10.3179.1-71.9-176165.300114.5
331M33.8Very low48Very low156 Ų156129.7 Ų129.777%0.76866%0.658SS**SBendtrans-87.3-8.5177.9-75.9-175.884.400114.9
332N33.7Very low45.4Very low129 Ų129135.5 Ų135.569%0.6970%0.7SS**SBendtrans-99.3-9.5-176.8-85-4000115.4
333N34.8Very low42.9Very low136 Ų136146.3 Ų146.373%0.72775%0.746SS**THydrogen-bonded Turntrans-89.91.7-179-78.4-8.7000115
334N36.6Very low40.6Very low150 Ų150152.6 Ų152.680%0.80278%0.776SS**THydrogen-bonded Turntrans-109.319.9179.8-78.9-11.9000114.2
335K35.9Very low38.6Very low189 Ų189150.7 Ų150.782%0.82277%0.773SS**SBendtrans-122.65.2179.5-84.4-171.7175.7-178.20116.7
336E32.1Very low37.2Very low184 Ų184151.9 Ų151.986%0.8678%0.779SS**SBendtrans-118.534.3-178.1-79.7-173164.300114.6
337T32.3Very low36.3Very low131 Ų131153.4 Ų153.480%0.80479%0.786SS**SBendtrans-137.726.9177.2-2.60000115.8
338I35.3Very low35.7Very low166 Ų166159 Ų15985%0.85181%0.813SS**SBendtrans-137.265.2168.3-47.7177.9000109.1
339E31.6Very low35.5Very low185 Ų185158.3 Ų158.386%0.86482%0.815SS**SBendtrans-161.770.6165.3-111.8174.5-149.300108.1
340D33.4Very low35.4Very low159 Ų159164.1 Ų164.185%0.8584%0.835SS**SBendtrans174.587.9149.4-97.7-24.4000110
341N37.4Very low35.2Very low165 Ų165166.5 Ų166.588%0.88285%0.851SS**  trans-178.180.8142.9-94.7-27.8000109.4
342S38.5Very low35.3Very low130 Ų130167.3 Ų167.391%0.90986%0.858SS**  trans-148.487.9156.1-74.40000107.3
343K42.6Very low35.5Very low284 Ų284170.8 Ų170.8100%1.23587%0.873SS**  trans-139.60162.6-109.3-174.8-178.3177.10109.2

Retrieved 343 of 343 residues in 92.3 ms (Link to these results)

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