A0A3Q0KK66_SCHMA Loading...

2-aminoethanethiol dioxygenase

AlphaFold DB , UniProt , Accession A0A3Q0KK66, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 315 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
1M74.4Confident93.6Very high242 Ų24260 Ų60100%1.19232%0.322SS*.  0132.50-68.6-176.4-165.600107.2
2T87.2Confident93.8Very high111 Ų11155 Ų5568%0.68130%0.295SS*.  trans-64.7133.8174.6-50.40000109.5A6T2-A6 HydrophobicContact CG2-CB 3.78Å
3T95Very high93.9Very high42 Ų4256.2 Ų56.226%0.25830%0.297SS..  trans-70.2156.9178.566.70000109.5I5 A6 T7 P312 S313T3-I5 VanDerWaalsContact C-N 3.28Å; T3-I5 PolarHBondContact O-N 2.93Å; T3-I5 WeakPolarHBondContact OG1-CG2 3.42Å; T3-A6 PolarHBondContact O-N 3.38Å; T3-A6 WeakPolarHBondContact OG1-CB 3.27Å; T3-A6 PolarHBondContact OG1-N 2.77Å; T3-A6 VanDerWaalsContact OG1-N 3.13Å; T3-T7 PolarHBondContact O-N 3.12Å; T3-T7 PolarHBondContact O-OG1 3.42Å; T3-P312 HydrophobicContact CG2-CB 3.55Å; T3-S313 PolarHBondContact OG1-O 3.33Å
4K96.3Very high93.8Very high87 Ų8758.4 Ų58.438%0.37830%0.304SS..Hα-helixtrans-62.2-39.1177.6-68.4-164.4-160.9157.50111.7T7 V8 S79 L80 D84K4-T7 WeakPolarHBondContact O-CB 3.27Å; K4-T7 PolarHBondContact O-N 3.01Å; K4-V8 WeakPolarHBondContact O-CG2 3.46Å; K4-V8 PolarHBondContact O-N 3.09Å; K4-S79 PolarHBondContact NZ-O 2.8Å; K4-L80 HydrophobicContact CB-CD2 3.78Å; K4-D84 HydrophobicContact CB-CB 4.28Å; K4-D84 HydrophobicContact CD-CB 4.45Å; K4-D84 IonicContact NZ-OD1 3.58Å; K4-D84 IonicContact NZ-OD2 2.88Å; K4-D84 PolarHBondContact NZ-OD2 3.23Å
5I97Very high93.7Very high0 Ų054.5 Ų54.50%028%0.284CS..Hα-helixtrans-66.7-40.7178.8-168.156000112.2T3 T7 V8 A9 L80 D84 V85 M115 P312 I314T3-I5 VanDerWaalsContact C-N 3.28Å; T3-I5 PolarHBondContact O-N 2.93Å; T3-I5 WeakPolarHBondContact OG1-CG2 3.42Å; I5-T7 VanDerWaalsContact C-N 3.29Å; I5-T7 PolarHBondContact O-N 3.48Å; I5-V8 PolarHBondContact O-N 2.77Å; I5-A9 PolarHBondContact O-N 3.01Å; I5-L80 HydrophobicContact CD1-CD1 4.21Å; I5-D84 WeakPolarHBondContact CG2-O 3.49Å; I5-V85 HydrophobicContact CD1-CG1 3.91Å; I5-V85 HydrophobicContact CG1-CG1 4.36Å; I5-M115 HydrophobicContact CD1-SD 3.51Å; I5-M115 VanDerWaalsContact CD1-SD 3.51Å; I5-M115 HydrophobicContact CG1-SD 4.41Å; I5-P312 HydrophobicContact CG2-CB 4.38Å; I5-I314 HydrophobicContact CG1-CG2 4.17Å; I5-I314 HydrophobicContact CG2-CG2 4.14Å
6A96.9Very high93.6Very high8 Ų851.3 Ų51.37%0.06627%0.267CS..Hα-helixtrans-61.9-37.9171.500000111.9T2 T3 A9 N10T2-A6 HydrophobicContact CG2-CB 3.78Å; T3-A6 PolarHBondContact O-N 3.38Å; T3-A6 WeakPolarHBondContact OG1-CB 3.27Å; T3-A6 PolarHBondContact OG1-N 2.77Å; T3-A6 VanDerWaalsContact OG1-N 3.13Å; A6-A9 PolarHBondContact O-N 3.33Å; A6-N10 PolarHBondContact O-N 3.06Å
7T96.8Very high93.2Very high53 Ų5353.3 Ų53.333%0.32528%0.275SS..Hα-helixtrans-62.7-42.4174.6-54.40000111.6T3 K4 I5 N10 L11T3-T7 PolarHBondContact O-N 3.12Å; T3-T7 PolarHBondContact O-OG1 3.42Å; K4-T7 WeakPolarHBondContact O-CB 3.27Å; K4-T7 PolarHBondContact O-N 3.01Å; I5-T7 VanDerWaalsContact C-N 3.29Å; I5-T7 PolarHBondContact O-N 3.48Å; T7-N10 PolarHBondContact O-N 3.35Å; T7-L11 HydrophobicContact CG2-CD1 4.11Å; T7-L11 WeakPolarHBondContact O-CB 3.47Å; T7-L11 WeakPolarHBondContact O-CG 3.28Å; T7-L11 PolarHBondContact O-N 3.31Å
8V97.6Very high92.2Very high1 Ų155.1 Ų55.11%0.00628%0.282CS..Hα-helixtrans-63.4-46.1175.8168.30000111K4 I5 N10 L11 A12 L73 C76 V77 L80 M115 I224K4-V8 WeakPolarHBondContact O-CG2 3.46Å; K4-V8 PolarHBondContact O-N 3.09Å; I5-V8 PolarHBondContact O-N 2.77Å; V8-N10 PolarHBondContact O-N 2.73Å; V8-L11 PolarHBondContact O-N 3.09Å; V8-A12 WeakPolarHBondContact O-CB 3.42Å; V8-A12 PolarHBondContact O-N 3.41Å; V8-L73 HydrophobicContact CG1-CD1 3.98Å; V8-C76 HydrophobicContact CG2-CB 3.76Å; V8-V77 HydrophobicContact CG1-CG2 3.66Å; V8-V77 HydrophobicContact CG2-CG2 4.22Å; V8-L80 HydrophobicContact CG2-CD1 4.05Å; V8-L80 HydrophobicContact CG2-CD2 4.26Å; V8-L80 HydrophobicContact CG2-CG 4.23Å; V8-M115 HydrophobicContact CG1-CE 3.96Å; V8-M115 HydrophobicContact CG1-SD 4.49Å; V8-I224 HydrophobicContact CG1-CD1 3.83Å
9A97Very high91Very high7 Ų754.1 Ų54.16%0.05828%0.276CS..Hα-helixtrans-57.3-46.9176.500000112.3I5 A6 A12 F13 M108 F113 M115I5-A9 PolarHBondContact O-N 3.01Å; A6-A9 PolarHBondContact O-N 3.33Å; A9-A12 PolarHBondContact O-N 3.25Å; A9-F13 PolarHBondContact O-N 2.85Å; A9-M108 HydrophobicContact CB-SD 3.54Å; A9-M108 VanDerWaalsContact CB-SD 3.54Å; A9-F113 HydrophobicContact CB-CZ 4.27Å; A9-F113 WeakPolarHBondContact O-CZ 3.36Å; A9-M115 HydrophobicContact CB-CE 4.05Å
10N95.8Very high89.7Confident91 Ų9154.4 Ų54.449%0.48728%0.283SS..Hα-helixtrans-64.2-42.1177.8-173.368.7000112.4A6 T7 V8 F13 H14A6-N10 PolarHBondContact O-N 3.06Å; T7-N10 PolarHBondContact O-N 3.35Å; V8-N10 PolarHBondContact O-N 2.73Å; N10-F13 PolarHBondContact O-N 3.2Å; N10-H14 PolarHBondContact O-CD2 3.1Å; N10-H14 PolarHBondContact O-N 2.93Å
11L95.9Very high88.1Confident18 Ų1855.8 Ų55.89%0.09429%0.293CS..Hα-helixtrans-66.3-37.3175.7-74.3171000112.2T7 V8 H14 A15 R72 L73 C76T7-L11 HydrophobicContact CG2-CD1 4.11Å; T7-L11 WeakPolarHBondContact O-CB 3.47Å; T7-L11 WeakPolarHBondContact O-CG 3.28Å; T7-L11 PolarHBondContact O-N 3.31Å; V8-L11 PolarHBondContact O-N 3.09Å; L11-H14 PolarHBondContact O-N 3.13Å; L11-A15 VanDerWaalsContact O-CB 3.24Å; L11-A15 WeakPolarHBondContact O-CB 3.23Å; L11-A15 PolarHBondContact O-N 3.36Å; L11-R72 HydrophobicContact CD2-CB 4.37Å; L11-L73 HydrophobicContact CB-CB 4.24Å; L11-L73 HydrophobicContact CB-CD1 3.99Å; L11-C76 HydrophobicContact CD1-CB 3.94Å; L11-C76 WeakPolarHBondContact CD1-SG 3.32Å
12A96.1Very high87.2Confident0 Ų051.9 Ų51.90%027%0.266CS..Hα-helixtrans-61.9-47.1176.600000110.9V8 A9 H14 A15 F16 L73 F113 I224V8-A12 WeakPolarHBondContact O-CB 3.42Å; V8-A12 PolarHBondContact O-N 3.41Å; A9-A12 PolarHBondContact O-N 3.25Å; A12-H14 PolarHBondContact O-N 3.18Å; A12-A15 PolarHBondContact O-N 3.04Å; A12-F16 HydrophobicContact CB-CD2 4.2Å; A12-F16 HydrophobicContact CB-CE2 4.27Å; A12-F16 WeakPolarHBondContact O-CB 3.47Å; A12-F16 WeakPolarHBondContact O-CD2 3.23Å; A12-F16 PolarHBondContact O-N 3.4Å; A12-L73 HydrophobicContact CB-CD1 4.03Å; A12-L73 HydrophobicContact CB-CD2 4.18Å; A12-F113 HydrophobicContact CB-CD1 4.05Å; A12-F113 HydrophobicContact CB-CD2 4.18Å; A12-F113 HydrophobicContact CB-CE1 3.9Å; A12-F113 HydrophobicContact CB-CE2 4.07Å; A12-F113 HydrophobicContact CB-CG 4.18Å; A12-F113 HydrophobicContact CB-CZ 3.91Å; A12-I224 HydrophobicContact CB-CG2 4.42Å
13F94.7Very high85.5Confident71 Ų7150 Ų5031%0.31126%0.261SS..Hα-helixtrans-52.9-54.1174.4-172.4-96.5000111.4A9 N10 Q17 V112 F113A9-F13 PolarHBondContact O-N 2.85Å; N10-F13 PolarHBondContact O-N 3.2Å; F13-Q17 WeakPolarHBondContact O-CB 3.13Å; F13-Q17 PolarHBondContact O-N 3.44Å; F13-V112 HydrophobicContact CD2-CB 4.13Å; F13-V112 HydrophobicContact CD2-CG2 3.94Å; F13-V112 HydrophobicContact CE2-CB 4.29Å; F13-V112 HydrophobicContact CE2-CG2 3.61Å; F13-V112 HydrophobicContact CZ-CG2 4.34Å; F13-F113 HydrophobicContact CB-CE1 3.95Å
14H92.4Very high83.1Confident86 Ų8652.2 Ų52.240%0.39828%0.283SS..Hα-helixtrans-66.1-41.5-178.5-70.8-57000113.7N10 L11 A12 Q18N10-H14 PolarHBondContact O-CD2 3.1Å; N10-H14 PolarHBondContact O-N 2.93Å; L11-H14 PolarHBondContact O-N 3.13Å; A12-H14 PolarHBondContact O-N 3.18Å; H14-Q18 VanDerWaalsContact O-CG 3.26Å; H14-Q18 WeakPolarHBondContact O-CG 3.4Å; H14-Q18 PolarHBondContact O-N 3.08Å
15A92.6Very high80.2Confident0 Ų054.5 Ų54.50%030%0.299CS..Hα-helixtrans-64.2-50.2-18000000110.8L11 A12 Q18 H19 L73L11-A15 VanDerWaalsContact O-CB 3.24Å; L11-A15 WeakPolarHBondContact O-CB 3.23Å; L11-A15 PolarHBondContact O-N 3.36Å; A12-A15 PolarHBondContact O-N 3.04Å; A15-Q18 PolarHBondContact O-N 3.33Å; A15-H19 PolarHBondContact O-CD2 3.16Å; A15-H19 PolarHBondContact O-N 2.75Å; A15-L73 HydrophobicContact CB-CD2 4.06Å
16F91.5Very high77.1Confident3 Ų358.4 Ų58.41%0.01333%0.327CS..Hα-helixtrans-78.9-28-174.5-66.7-56.3000113.9A12 Q18 H19 S20 L73 V112 F113 I137 I224 A226A12-F16 HydrophobicContact CB-CD2 4.2Å; A12-F16 HydrophobicContact CB-CE2 4.27Å; A12-F16 WeakPolarHBondContact O-CB 3.47Å; A12-F16 WeakPolarHBondContact O-CD2 3.23Å; A12-F16 PolarHBondContact O-N 3.4Å; F16-Q18 VanDerWaalsContact C-N 3.33Å; F16-Q18 PolarHBondContact O-N 2.88Å; F16-H19 PolarHBondContact O-N 2.99Å; F16-S20 PolarHBondContact O-N 2.96Å; F16-S20 PolarHBondContact O-OG 3.23Å; F16-L73 HydrophobicContact CE2-CD2 3.9Å; F16-L73 HydrophobicContact CZ-CD2 4.18Å; F16-V112 HydrophobicContact CB-CG1 3.68Å; F16-F113 HydrophobicContact CD2-CB 4.12Å; F16-I137 HydrophobicContact CE2-CD1 4.31Å; F16-I137 HydrophobicContact CZ-CD1 3.77Å; F16-I137 HydrophobicContact CZ-CG1 4.24Å; F16-I224 HydrophobicContact CE2-CG2 3.81Å; F16-A226 HydrophobicContact CB-CB 3.77Å; F16-A226 HydrophobicContact CD1-CB 3.39Å; F16-A226 HydrophobicContact CD2-CB 3.46Å; F16-A226 VanDerWaalsContact CD2-CB 3.46Å; F16-A226 HydrophobicContact CE1-CB 3.72Å; F16-A226 HydrophobicContact CE2-CB 3.78Å; F16-A226 HydrophobicContact CG-CB 3.25Å; F16-A226 HydrophobicContact CZ-CB 3.89Å
17Q86.9Confident74Confident86 Ų8663 Ų6340%0.40236%0.356SS..Hα-helixtrans-63-41.6171-168.4178.229.500111F13 H19 S20 V21 V112F13-Q17 WeakPolarHBondContact O-CB 3.13Å; F13-Q17 PolarHBondContact O-N 3.44Å; Q17-H19 VanDerWaalsContact C-N 3.28Å; Q17-H19 PolarHBondContact O-N 2.9Å; Q17-S20 PolarHBondContact O-N 2.73Å; Q17-V21 WeakPolarHBondContact O-CG2 3.32Å; Q17-V21 PolarHBondContact O-N 2.95Å; Q17-V112 HydrophobicContact CB-CG1 4.34Å
18Q75.8Confident70.9Confident86 Ų8665.3 Ų65.340%0.40238%0.38SS..Hα-helixtrans-62.7-34.3174.4-72.3175.4-7.500112.5H14 A15 F16 R22 S69H14-Q18 VanDerWaalsContact O-CG 3.26Å; H14-Q18 WeakPolarHBondContact O-CG 3.4Å; H14-Q18 PolarHBondContact O-N 3.08Å; A15-Q18 PolarHBondContact O-N 3.33Å; F16-Q18 VanDerWaalsContact C-N 3.33Å; F16-Q18 PolarHBondContact O-N 2.88Å; Q18-R22 WeakPolarHBondContact O-CG 3.37Å; Q18-R22 PolarHBondContact O-N 2.85Å; Q18-S69 PolarHBondContact OE1-OG 2.85Å
19H69.1Low67.7Low36 Ų3670.9 Ų70.917%0.16742%0.419CS..Hα-helixtrans-74.3-40.3178-80.3-70.6000112.8A15 F16 Q17 V21 R22 A23 S67A15-H19 PolarHBondContact O-CD2 3.16Å; A15-H19 PolarHBondContact O-N 2.75Å; F16-H19 PolarHBondContact O-N 2.99Å; Q17-H19 VanDerWaalsContact C-N 3.28Å; Q17-H19 PolarHBondContact O-N 2.9Å; H19-V21 VanDerWaalsContact C-N 3.35Å; H19-V21 PolarHBondContact O-N 2.85Å; H19-R22 PolarHBondContact O-N 2.96Å; H19-A23 PolarHBondContact O-N 2.78Å; H19-S67 PolarHBondContact NE2-OG 2.74Å
20S65.3Low64.5Low60 Ų6074.4 Ų74.442%0.4245%0.448SS..Hα-helixtrans-61.9-42.7177.6-59.50000111.7F16 Q17 R22 A23 A24F16-S20 PolarHBondContact O-N 2.96Å; F16-S20 PolarHBondContact O-OG 3.23Å; Q17-S20 PolarHBondContact O-N 2.73Å; S20-R22 VanDerWaalsContact C-N 3.35Å; S20-R22 PolarHBondContact O-N 3.31Å; S20-A23 PolarHBondContact O-N 3.23Å; S20-A24 PolarHBondContact O-N 2.97Å; S20-A24 VanDerWaalsContact O-N 3.12Å
21V56.7Low61.3Low83 Ų8377.3 Ų77.350%0.50346%0.464SS..Hα-helixtrans-63.2-40175.5175.40000111.4Q17 H19 L25Q17-V21 WeakPolarHBondContact O-CG2 3.32Å; Q17-V21 PolarHBondContact O-N 2.95Å; H19-V21 VanDerWaalsContact C-N 3.35Å; H19-V21 PolarHBondContact O-N 2.85Å; V21-L25 HydrophobicContact CG1-CD1 3.81Å; V21-L25 WeakPolarHBondContact O-CD1 3.36Å; V21-L25 VanDerWaalsContact O-CG 3.24Å; V21-L25 WeakPolarHBondContact O-CG 3.43Å; V21-L25 PolarHBondContact O-N 2.89Å
22R54.2Low58.3Low161 Ų16183.7 Ų83.761%0.60850%0.496SS*.Hα-helixtrans-71.1-35.6178.5-74.7177.7-178.2-173.21.4113.2Q18 H19 S20 L25 S26Q18-R22 WeakPolarHBondContact O-CG 3.37Å; Q18-R22 PolarHBondContact O-N 2.85Å; H19-R22 PolarHBondContact O-N 2.96Å; S20-R22 VanDerWaalsContact C-N 3.35Å; S20-R22 PolarHBondContact O-N 3.31Å; R22-L25 PolarHBondContact O-N 2.98Å; R22-S26 PolarHBondContact O-N 2.8Å
23A51.9Low55.4Low71 Ų7191.3 Ų91.359%0.58754%0.537SS*.Hα-helixtrans-66.6-40.6176.800000111.4H19 S20 L25 S26H19-A23 PolarHBondContact O-N 2.78Å; S20-A23 PolarHBondContact O-N 3.23Å; A23-L25 VanDerWaalsContact C-N 3.31Å; A23-L25 PolarHBondContact O-N 3.01Å; A23-S26 PolarHBondContact O-N 3.49Å
24A43.9Very low52.8Low88 Ų8895 Ų9573%0.72756%0.56SS**Hα-helixtrans-68.3-25.9176.600000113.9S20S20-A24 PolarHBondContact O-N 2.97Å; S20-A24 VanDerWaalsContact O-N 3.12Å
25L36.1Very low49.9Very low135 Ų13594.6 Ų94.671%0.70758%0.58SS**Hα-helixtrans-91.8-7-179.3-69.3170.5000114.2V21 R22 A23V21-L25 HydrophobicContact CG1-CD1 3.81Å; V21-L25 WeakPolarHBondContact O-CD1 3.36Å; V21-L25 VanDerWaalsContact O-CG 3.24Å; V21-L25 WeakPolarHBondContact O-CG 3.43Å; V21-L25 PolarHBondContact O-N 2.89Å; R22-L25 PolarHBondContact O-N 2.98Å; A23-L25 VanDerWaalsContact C-N 3.31Å; A23-L25 PolarHBondContact O-N 3.01Å
26S31.9Very low47.6Very low83 Ų83103.5 Ų103.558%0.5862%0.624SS**SBendtrans-77.5122174.3-168.70000108.9R22 A23 A28R22-S26 PolarHBondContact O-N 2.8Å; A23-S26 PolarHBondContact O-N 3.49Å; S26-A28 PolarHBondContact O-N 2.83Å; S26-A28 VanDerWaalsContact O-N 3.08Å
27P31.4Very low44.9Very low105 Ų105106.4 Ų106.468%0.68265%0.654SS**  trans-63.7119.8175.524.9-29.1000107.9S29P27-S29 PolarHBondContact O-N 2.84Å
28A32Very low42.6Very low100 Ų100110.1 Ų110.183%0.82668%0.677SS**  trans-51.4109164.500000106.8S26 A30S26-A28 PolarHBondContact O-N 2.83Å; S26-A28 VanDerWaalsContact O-N 3.08Å; A28-A30 PolarHBondContact O-N 2.85Å
29S31.4Very low41Very low118 Ų118110.7 Ų110.783%0.82569%0.69SS**  trans-67102.9-179.5-64.50000108.3P27P27-S29 PolarHBondContact O-N 2.84Å
30A28Very low39.9Very low82 Ų82117.9 Ų117.968%0.67872%0.723SS**  trans17.5114.714400000117.5A28A28-A30 PolarHBondContact O-N 2.85Å
31N29Very low38.6Very low152 Ų152119.9 Ų119.981%0.81374%0.735SS**  -175.893.1120.2-100.7-15.1000110.9
32I33Very low37.7Very low151 Ų151121.6 Ų121.677%0.77475%0.749SS**  trans-129.689.1155.7-58.5178.4000106
33N36.3Very low37.2Very low160 Ų160120 Ų12086%0.85676%0.758SS**  trans-9994.3160.3-94.4-3.8000107
34N39.5Very low36.4Very low148 Ų148124.9 Ų124.979%0.79177%0.774SS**  trans-83115.4161.9-92.9-7.7000107.9
35G31.4Very low36Very low79 Ų79124.4 Ų124.481%0.81478%0.778SS**PPolyproline II helixtrans-74.4119.9172.900000111.1
36M44Very low36.2Very low187 Ų187125.5 Ų125.592%0.92179%0.785SS**PPolyproline II helixtrans-95.7118.6157-121.775.8169.900106.7
37G34.1Very low36.8Very low63 Ų63126.8 Ų126.865%0.64979%0.794SS**PPolyproline II helixtrans-74.8150.9173.800000111.5
38D39Very low37.4Very low164 Ų164127 Ų12788%0.87780%0.795SS**  trans-166.7128.9140.9-94.3-25.8000112.2
39S42.7Very low37.6Very low99 Ų99127.8 Ų127.869%0.69279%0.789SS**  trans64.9110.7145.555.40000123.4
40H46.9Very low38.2Very low186 Ų186130.3 Ų130.386%0.86179%0.788SS**  89.2143.6129.5-80.3-66.6000122.9
41P38.2Very low38.8Very low103 Ų103131.5 Ų131.567%0.66979%0.791SS**  trans-105.4157.9-157.540.6-32.8000113.2
42C37.5Very low39.3Very low118 Ų118132.2 Ų132.280%0.79780%0.795SS**  trans-171.3122.5143.2-95.30000113.3
43T42.2Very low39.9Very low128 Ų128134.2 Ų134.279%0.78580%0.798SS**  trans64.9105.9136.861.10000122.9
44N35.4Very low40Very low173 Ų173132.5 Ų132.593%0.92580%0.796SS**  trans22.1129.6132.3-71.5-5.3000121.8
45G36.1Very low39.9Very low79 Ų79132.2 Ų132.281%0.81480%0.799SS**  trans174.892.4155.600000115.4
46N39.7Very low40.2Very low158 Ų158133.4 Ų133.485%0.84580%0.795SS**  trans-2.4123.3164.1-68.6-17.1000122.1
47S44.8Very low39.9Very low110 Ų110130 Ų13077%0.76979%0.787SS**  35162119.8-56.90000122.9
48P43.3Very low39.8Very low109 Ų109134.5 Ų134.571%0.70880%0.796SS**  cis-138.2-165.9-5038.9-19.8000111.9
49T36.9Very low39.5Very low116 Ų116133.8 Ų133.871%0.71279%0.791SS**  trans101.1104.9165.173.30000116.7
50H44.6Very low38.9Very low172 Ų172134.2 Ų134.280%0.79679%0.792SS**  -171.5106.9125.9-102.1-70.5000111.4
51S41.2Very low38.3Very low107 Ų107132 Ų13275%0.74879%0.791SS**  trans19.5102.8145.456.70000120.1
52D37.6Very low38Very low166 Ų166135.2 Ų135.289%0.88879%0.794SS**PPolyproline II helixtrans-101.4125.3156.3-84.6-37.1000110.5
53K45.5Very low38.4Very low194 Ų194138.7 Ų138.784%0.84380%0.798SS**PPolyproline II helixtrans-86.4141.1170.5-83.3-176.8175.7179.70109.8
54P38.4Very low39Very low123 Ų123142 Ų14280%0.79980%0.802SS**PPolyproline II helixtrans-80124.7178.231.9-30.5000110.3S56P54-S56 PolarHBondContact O-N 3.3Å
55V38.8Very low40.3Very low143 Ų143142.9 Ų142.987%0.86780%0.8SS**  trans-79.4112.7168.5177.10000107.9
56S38.2Very low42.1Very low103 Ų103142.4 Ų142.472%0.7278%0.779SS**  trans-66.7137.7174.3-78.50000111.8P54 N58P54-S56 PolarHBondContact O-N 3.3Å; S56-N58 PolarHBondContact O-N 2.85Å
57P36.5Very low44.2Very low116 Ų116135.6 Ų135.675%0.75374%0.744SS**  trans-91.8102.6172.334-25.1000108.8
58N32.8Very low46.4Very low158 Ų158137.4 Ų137.485%0.84574%0.74SS**  trans-154.282.4163.2-90.7-28.2000107.8S56S56-N58 PolarHBondContact O-N 2.85Å
59L33Very low48.6Very low149 Ų149133.4 Ų133.478%0.7872%0.715SS**  trans-109.8123.3163.9-128.483.8000108
60P29.6Very low51.2Low108 Ų108128 Ų12870%0.70168%0.682SS**  trans-65.6142.1176.429-32.3000108.6K62P60-K62 PolarHBondContact O-N 3.29Å
61V33.3Very low53.5Low139 Ų139122.5 Ų122.584%0.84266%0.662SS**  trans-56.2100.5172.5179.50000107.6H63V61-H63 PolarHBondContact O-N 3.2Å; V61-H63 VanDerWaalsContact O-N 3.12Å
62K32.9Very low56.1Low171 Ų171124.2 Ų124.274%0.74365%0.652SS**  trans-62.5115.6173.5-74.8-177.8177.3-179.70106.7P60 K64P60-K62 PolarHBondContact O-N 3.29Å; K62-K64 VanDerWaalsContact C-N 3.35Å; K62-K64 PolarHBondContact O-N 3.28Å
63H45Very low58.9Low190 Ų190116.3 Ų116.388%0.8861%0.61SS**  trans-49.5106161-80.8-85000107V61 Q65V61-H63 PolarHBondContact O-N 3.2Å; V61-H63 VanDerWaalsContact O-N 3.12Å; H63-Q65 PolarHBondContact O-N 3.47Å
64K55.5Low61.3Low198 Ų198108.2 Ų108.286%0.86158%0.576SS**  trans-60.4111.4177.7-126.8174.6-177.6175.80105.3K62 L66K62-K64 VanDerWaalsContact C-N 3.35Å; K62-K64 PolarHBondContact O-N 3.28Å; K64-L66 PolarHBondContact O-N 2.85Å
65Q63.4Low64.1Low191 Ų191105.2 Ų105.289%0.89356%0.561SS**  trans-50.9115.1177.7-174.9175.32.700108H63H63-Q65 PolarHBondContact O-N 3.47Å
66L72.9Confident66.9Low69 Ų69100.1 Ų100.136%0.36153%0.531SS..  trans-57.3144.5178.3-66.5165.8000108.1K64 L70 L74 L201K64-L66 PolarHBondContact O-N 2.85Å; L66-L70 HydrophobicContact CD2-CD2 3.47Å; L66-L70 VanDerWaalsContact CD2-CD2 3.47Å; L66-L70 HydrophobicContact CD2-CG 4.19Å; L66-L74 HydrophobicContact CD1-CD1 4Å; L66-L201 HydrophobicContact CD2-CD2 3.8Å
67S84.8Confident69.7Low15 Ų1595.2 Ų95.211%0.10550%0.497CS..  trans-59.4151.2173.565.30000109.6H19 S69 L70 S71H19-S67 PolarHBondContact NE2-OG 2.74Å; S67-S69 PolarHBondContact O-N 2.8Å; S67-L70 PolarHBondContact O-N 3.03Å; S67-L70 WeakPolarHBondContact OG-CB 3.44Å; S67-L70 PolarHBondContact OG-N 3.35Å; S67-L70 VanDerWaalsContact OG-N 3.14Å; S67-S71 PolarHBondContact O-N 3.19Å; S67-S71 PolarHBondContact O-OG 3.37Å
68E89.2Confident72.6Confident149 Ų14994.5 Ų94.570%0.69648%0.479SS*.Hα-helixtrans-56.5-41.3175.6-173.2-174.9162.400110.8L70 S71 R72E68-L70 PolarHBondContact O-N 2.86Å; E68-S71 PolarHBondContact O-N 3.08Å; E68-R72 WeakPolarHBondContact O-CG 3.35Å; E68-R72 PolarHBondContact O-N 3.08Å
69S89.8Confident75.7Confident25 Ų2589.8 Ų89.818%0.17546%0.458CS..Hα-helixtrans-57.7-47.2175.5-49.60000112.4Q18 S67 R72 L73Q18-S69 PolarHBondContact OE1-OG 2.85Å; S67-S69 PolarHBondContact O-N 2.8Å; S69-R72 PolarHBondContact O-N 3.44Å; S69-L73 WeakPolarHBondContact O-CB 3.41Å; S69-L73 PolarHBondContact O-N 3.12Å
70L92Very high78.8Confident3 Ų383 Ų832%0.01642%0.423CS..Hα-helixtrans-67.7-38.5178.5-178.954.6000111.6L66 S67 E68 R72 L73 L74 I137 L201L66-L70 HydrophobicContact CD2-CD2 3.47Å; L66-L70 VanDerWaalsContact CD2-CD2 3.47Å; L66-L70 HydrophobicContact CD2-CG 4.19Å; S67-L70 PolarHBondContact O-N 3.03Å; S67-L70 WeakPolarHBondContact OG-CB 3.44Å; S67-L70 PolarHBondContact OG-N 3.35Å; S67-L70 VanDerWaalsContact OG-N 3.14Å; E68-L70 PolarHBondContact O-N 2.86Å; L70-R72 VanDerWaalsContact C-N 3.34Å; L70-R72 PolarHBondContact O-N 3.29Å; L70-L73 HydrophobicContact CD1-CD2 4.13Å; L70-L73 WeakPolarHBondContact O-CB 3.41Å; L70-L73 PolarHBondContact O-N 2.85Å; L70-L74 HydrophobicContact CD1-CD1 4.41Å; L70-L74 HydrophobicContact CD1-CG 4.26Å; L70-L74 HydrophobicContact CG-CD1 4.26Å; L70-L74 VanDerWaalsContact O-CG 3.31Å; L70-L74 WeakPolarHBondContact O-CG 3.47Å; L70-L74 PolarHBondContact O-N 2.89Å; L70-I137 HydrophobicContact CD1-CD1 4.24Å; L70-L201 HydrophobicContact CD2-CD2 4.36Å
71S93.4Very high81.9Confident55 Ų5580.7 Ų80.739%0.38541%0.407SS..Hα-helixtrans-62.3-42.1175.8-56.10000111.6S67 E68 L74 A75S67-S71 PolarHBondContact O-N 3.19Å; S67-S71 PolarHBondContact O-OG 3.37Å; E68-S71 PolarHBondContact O-N 3.08Å; S71-L74 PolarHBondContact O-N 3.24Å; S71-A75 PolarHBondContact O-N 2.83Å; S71-A75 VanDerWaalsContact O-N 3.07Å
72R95.1Very high84.9Confident144 Ų14476 Ų7654%0.54338%0.379SS..Hα-helixtrans-65.4-42.5174.4-72.4174.863.4177.6-1.5112.2L11 E68 S69 L70 A75 C76L11-R72 HydrophobicContact CD2-CB 4.37Å; E68-R72 WeakPolarHBondContact O-CG 3.35Å; E68-R72 PolarHBondContact O-N 3.08Å; S69-R72 PolarHBondContact O-N 3.44Å; L70-R72 VanDerWaalsContact C-N 3.34Å; L70-R72 PolarHBondContact O-N 3.29Å; R72-A75 PolarHBondContact O-N 2.83Å; R72-C76 PolarHBondContact O-N 2.97Å
73L96.6Very high87.8Confident0 Ų076.3 Ų76.30%038%0.381CS..Hα-helixtrans-57-51.9174.7173.760.7000111V8 L11 A12 A15 F16 S69 L70 A75 C76 V77 I137V8-L73 HydrophobicContact CG1-CD1 3.98Å; L11-L73 HydrophobicContact CB-CB 4.24Å; L11-L73 HydrophobicContact CB-CD1 3.99Å; A12-L73 HydrophobicContact CB-CD1 4.03Å; A12-L73 HydrophobicContact CB-CD2 4.18Å; A15-L73 HydrophobicContact CB-CD2 4.06Å; F16-L73 HydrophobicContact CE2-CD2 3.9Å; F16-L73 HydrophobicContact CZ-CD2 4.18Å; S69-L73 WeakPolarHBondContact O-CB 3.41Å; S69-L73 PolarHBondContact O-N 3.12Å; L70-L73 HydrophobicContact CD1-CD2 4.13Å; L70-L73 WeakPolarHBondContact O-CB 3.41Å; L70-L73 PolarHBondContact O-N 2.85Å; L73-A75 VanDerWaalsContact C-N 3.31Å; L73-A75 PolarHBondContact O-N 2.76Å; L73-C76 PolarHBondContact O-N 3.06Å; L73-C76 VanDerWaalsContact O-N 3.12Å; L73-V77 HydrophobicContact CD1-CG2 3.91Å; L73-V77 HydrophobicContact CG-CG2 4.34Å; L73-V77 WeakPolarHBondContact O-CG2 3.36Å; L73-V77 PolarHBondContact O-N 3.2Å; L73-I137 HydrophobicContact CD2-CD1 3.53Å; L73-I137 HydrophobicContact CG-CD1 4.01Å
74L96.7Very high90.2Very high24 Ų2468.8 Ų68.813%0.12635%0.347CS..Hα-helixtrans-59.7-40.5179.8-69.6170000111.9L66 L70 S71 V77 R78 I137 P199L66-L74 HydrophobicContact CD1-CD1 4Å; L70-L74 HydrophobicContact CD1-CD1 4.41Å; L70-L74 HydrophobicContact CD1-CG 4.26Å; L70-L74 HydrophobicContact CG-CD1 4.26Å; L70-L74 VanDerWaalsContact O-CG 3.31Å; L70-L74 WeakPolarHBondContact O-CG 3.47Å; L70-L74 PolarHBondContact O-N 2.89Å; S71-L74 PolarHBondContact O-N 3.24Å; L74-V77 PolarHBondContact O-N 3.06Å; L74-R78 WeakPolarHBondContact O-CB 3.44Å; L74-R78 PolarHBondContact O-N 3.29Å; L74-I137 HydrophobicContact CD2-CD1 4.05Å; L74-I137 HydrophobicContact CD2-CG1 4.29Å; L74-I137 HydrophobicContact CD2-CG2 4.01Å; L74-P199 HydrophobicContact CD2-CB 4.11Å
75A96.5Very high92.1Very high59 Ų5959.4 Ų59.449%0.48831%0.306SS..Hα-helixtrans-63.4-42.4175.300000112.4S71 R72 L73 R78 S79S71-A75 PolarHBondContact O-N 2.83Å; S71-A75 VanDerWaalsContact O-N 3.07Å; R72-A75 PolarHBondContact O-N 2.83Å; L73-A75 VanDerWaalsContact C-N 3.31Å; L73-A75 PolarHBondContact O-N 2.76Å; A75-R78 PolarHBondContact O-N 2.98Å; A75-S79 PolarHBondContact O-N 2.84Å
76C97.3Very high93.4Very high36 Ų3651.5 Ų51.524%0.24328%0.276CS..Hα-helixtrans-66.4-44.2176.1-75.50000111.9V8 L11 R72 L73 R78 S79 L80V8-C76 HydrophobicContact CG2-CB 3.76Å; L11-C76 HydrophobicContact CD1-CB 3.94Å; L11-C76 WeakPolarHBondContact CD1-SG 3.32Å; R72-C76 PolarHBondContact O-N 2.97Å; L73-C76 PolarHBondContact O-N 3.06Å; L73-C76 VanDerWaalsContact O-N 3.12Å; C76-R78 VanDerWaalsContact C-N 3.34Å; C76-R78 PolarHBondContact O-N 3.08Å; C76-S79 PolarHBondContact O-N 3.22Å; C76-S79 VanDerWaalsContact O-N 3.09Å; C76-S79 PolarHBondContact O-OG 2.99Å; C76-L80 PolarHBondContact O-N 3.05Å
77V98.2Very high94.1Very high0 Ų049.4 Ų49.40%026%0.264CS..Hα-helixtrans-60.1-43.5176172.70000110.9V8 L73 L74 S79 L80 I137 K139 P199 L222 I224V8-V77 HydrophobicContact CG1-CG2 3.66Å; V8-V77 HydrophobicContact CG2-CG2 4.22Å; L73-V77 HydrophobicContact CD1-CG2 3.91Å; L73-V77 HydrophobicContact CG-CG2 4.34Å; L73-V77 WeakPolarHBondContact O-CG2 3.36Å; L73-V77 PolarHBondContact O-N 3.2Å; L74-V77 PolarHBondContact O-N 3.06Å; V77-S79 PolarHBondContact O-N 2.82Å; V77-L80 WeakPolarHBondContact O-CB 3.05Å; V77-L80 PolarHBondContact O-N 2.84Å; V77-L80 VanDerWaalsContact O-N 3.16Å; V77-I137 HydrophobicContact CG1-CG2 4.06Å; V77-K139 HydrophobicContact CG1-CB 3.53Å; V77-K139 HydrophobicContact CG1-CG 3.98Å; V77-P199 HydrophobicContact CB-CG 4.12Å; V77-P199 HydrophobicContact CG1-CB 4.04Å; V77-P199 HydrophobicContact CG1-CG 3.76Å; V77-L222 HydrophobicContact CG1-CD2 4.28Å; V77-I224 HydrophobicContact CG2-CD1 3.93Å
78R97.5Very high94.1Very high102 Ų10251 Ų5139%0.38527%0.272SS..Hα-helixtrans-54-37.9174.9-173.7-167.2176.462.79.3112L74 A75 C76 L80 D196 H197 P199L74-R78 WeakPolarHBondContact O-CB 3.44Å; L74-R78 PolarHBondContact O-N 3.29Å; A75-R78 PolarHBondContact O-N 2.98Å; C76-R78 VanDerWaalsContact C-N 3.34Å; C76-R78 PolarHBondContact O-N 3.08Å; R78-L80 VanDerWaalsContact C-N 3.31Å; R78-L80 PolarHBondContact O-N 2.83Å; R78-D196 PolarHBondContact NH1-O 3.38Å; R78-D196 PolarHBondContact NH2-O 3.14Å; R78-H197 PolarHBondContact NH1-O 3.17Å; R78-P199 HydrophobicContact CB-CG 4.16Å
79S97.1Very high93.9Very high58 Ų5849.3 Ų49.341%0.40627%0.266SS..THydrogen-bonded Turntrans-80.6-4.4-175.280.70000115.4K4 A75 C76 V77K4-S79 PolarHBondContact NZ-O 2.8Å; A75-S79 PolarHBondContact O-N 2.84Å; C76-S79 PolarHBondContact O-N 3.22Å; C76-S79 VanDerWaalsContact O-N 3.09Å; C76-S79 PolarHBondContact O-OG 2.99Å; V77-S79 PolarHBondContact O-N 2.82Å
80L97.6Very high93.6Very high6 Ų655.3 Ų55.33%0.03129%0.285CS..  trans-71.6136.5178.5-69.9176.1000111.2K4 I5 V8 C76 V77 R78 D84 V85 L141 L222K4-L80 HydrophobicContact CB-CD2 3.78Å; I5-L80 HydrophobicContact CD1-CD1 4.21Å; V8-L80 HydrophobicContact CG2-CD1 4.05Å; V8-L80 HydrophobicContact CG2-CD2 4.26Å; V8-L80 HydrophobicContact CG2-CG 4.23Å; C76-L80 PolarHBondContact O-N 3.05Å; V77-L80 WeakPolarHBondContact O-CB 3.05Å; V77-L80 PolarHBondContact O-N 2.84Å; V77-L80 VanDerWaalsContact O-N 3.16Å; R78-L80 VanDerWaalsContact C-N 3.31Å; R78-L80 PolarHBondContact O-N 2.83Å; L80-D84 HydrophobicContact CD2-CB 3.83Å; L80-V85 HydrophobicContact CD1-CG1 4.22Å; L80-V85 HydrophobicContact CD2-CG1 4.44Å; L80-L141 HydrophobicContact CB-CD2 4.24Å; L80-L222 HydrophobicContact CD1-CD2 3.62Å
81T95.8Very high93.2Very high60 Ų6057.5 Ų57.537%0.36829%0.293SS..  trans-109.7164170.467.50000110.2K83 D84T81-K83 PolarHBondContact O-N 2.73Å; T81-K83 VanDerWaalsContact O-N 3.16Å; T81-D84 WeakPolarHBondContact CB-OD2 3.38Å; T81-D84 PolarHBondContact N-OD2 2.94Å; T81-D84 WeakPolarHBondContact O-CB 3.22Å; T81-D84 PolarHBondContact O-N 2.74Å; T81-D84 VanDerWaalsContact OG1-CG 3.23Å; T81-D84 PolarHBondContact OG1-N 3.16Å; T81-D84 PolarHBondContact OG1-OD2 3.25Å
82P95Very high92.7Very high40 Ų4057.1 Ų57.126%0.2629%0.286SS..G310 helixtrans-51.5-37.2173-29.636.1000113.8D84 V85 G86 F87 L141 T142P82-D84 PolarHBondContact O-N 3.2Å; P82-V85 VanDerWaalsContact O-CG2 3.3Å; P82-V85 WeakPolarHBondContact O-CG2 3.27Å; P82-V85 PolarHBondContact O-N 3.43Å; P82-G86 PolarHBondContact O-N 3.47Å; P82-F87 HydrophobicContact CB-CB 4.07Å; P82-F87 HydrophobicContact CB-CD1 4.07Å; P82-F87 WeakPolarHBondContact O-CB 3.38Å; P82-F87 PolarHBondContact O-N 2.82Å; P82-L141 HydrophobicContact CG-CB 4.32Å; P82-L141 WeakPolarHBondContact CG-O 3.4Å; P82-T142 WeakPolarHBondContact CG-OG1 3.34Å
83K94Very high91.9Very high179 Ų17954.5 Ų54.578%0.77829%0.29SS*.G310 helixtrans-66.3-36.3177.3-175.4179.5178.5-179.40112.8T81 V85 G86T81-K83 PolarHBondContact O-N 2.73Å; T81-K83 VanDerWaalsContact O-N 3.16Å; K83-V85 PolarHBondContact O-N 3.22Å; K83-G86 PolarHBondContact O-N 2.83Å
84D96.1Very high91.2Very high31 Ų3157.8 Ų57.817%0.16631%0.308CS..G310 helixtrans-65.7-21.8-178.3-65.7-54.1000112.5K4 I5 L80 T81 P82K4-D84 HydrophobicContact CB-CB 4.28Å; K4-D84 HydrophobicContact CD-CB 4.45Å; K4-D84 IonicContact NZ-OD1 3.58Å; K4-D84 IonicContact NZ-OD2 2.88Å; K4-D84 PolarHBondContact NZ-OD2 3.23Å; I5-D84 WeakPolarHBondContact CG2-O 3.49Å; L80-D84 HydrophobicContact CD2-CB 3.83Å; T81-D84 WeakPolarHBondContact CB-OD2 3.38Å; T81-D84 PolarHBondContact N-OD2 2.94Å; T81-D84 WeakPolarHBondContact O-CB 3.22Å; T81-D84 PolarHBondContact O-N 2.74Å; T81-D84 VanDerWaalsContact OG1-CG 3.23Å; T81-D84 PolarHBondContact OG1-N 3.16Å; T81-D84 PolarHBondContact OG1-OD2 3.25Å; P82-D84 PolarHBondContact O-N 3.2Å
85V95.1Very high90.1Very high1 Ų161.2 Ų61.21%0.00633%0.334CS..G310 helixtrans-109.99.3178.2-53.60000113.1I5 L80 P82 K83 F87 I117 L141 Y309I5-V85 HydrophobicContact CD1-CG1 3.91Å; I5-V85 HydrophobicContact CG1-CG1 4.36Å; L80-V85 HydrophobicContact CD1-CG1 4.22Å; L80-V85 HydrophobicContact CD2-CG1 4.44Å; P82-V85 VanDerWaalsContact O-CG2 3.3Å; P82-V85 WeakPolarHBondContact O-CG2 3.27Å; P82-V85 PolarHBondContact O-N 3.43Å; K83-V85 PolarHBondContact O-N 3.22Å; V85-F87 HydrophobicContact CG2-CB 4.01Å; V85-F87 PolarHBondContact O-N 3.23Å; V85-I117 HydrophobicContact CB-CD1 3.9Å; V85-I117 HydrophobicContact CG2-CD1 3.59Å; V85-L141 HydrophobicContact CG2-CD1 3.7Å; V85-Y309 WeakPolarHBondContact O-CE2 3.43Å
86G90.7Very high89.2Confident26 Ų2664.9 Ų64.927%0.26835%0.345SS..THydrogen-bonded Turntrans62.526.3-17900000115.1P82 K83 D88P82-G86 PolarHBondContact O-N 3.47Å; K83-G86 PolarHBondContact O-N 2.83Å; G86-D88 PolarHBondContact O-N 3.36Å
87F88.1Confident88.4Confident25 Ų2565.9 Ų65.911%0.1135%0.347CS..  trans-65.2121.4178.6176.1-106.2000110.2P82 V85 W91 I92 I119 V220P82-F87 HydrophobicContact CB-CB 4.07Å; P82-F87 HydrophobicContact CB-CD1 4.07Å; P82-F87 WeakPolarHBondContact O-CB 3.38Å; P82-F87 PolarHBondContact O-N 2.82Å; V85-F87 HydrophobicContact CG2-CB 4.01Å; V85-F87 PolarHBondContact O-N 3.23Å; F87-W91 HydrophobicContact CE2-CB 3.95Å; F87-W91 HydrophobicContact CE2-CG 4.44Å; F87-W91 HydrophobicContact CZ-CB 4.05Å; F87-I92 HydrophobicContact CE1-CD1 4.38Å; F87-I92 HydrophobicContact CE1-CG1 4.4Å; F87-I92 HydrophobicContact CZ-CG1 4.35Å; F87-I92 HydrophobicContact CZ-CG2 3.9Å; F87-I119 HydrophobicContact CD2-CD1 4.48Å; F87-I119 HydrophobicContact CE2-CD1 3.83Å; F87-I119 HydrophobicContact CE2-CG1 3.91Å; F87-V220 HydrophobicContact CD2-CG1 3.84Å; F87-V220 HydrophobicContact CD2-CG2 4.42Å; F87-V220 HydrophobicContact CE1-CG2 3.92Å; F87-V220 HydrophobicContact CE2-CB 4.46Å; F87-V220 HydrophobicContact CE2-CG1 3.9Å; F87-V220 HydrophobicContact CE2-CG2 3.72Å; F87-V220 HydrophobicContact CG-CG1 4.28Å; F87-V220 HydrophobicContact CZ-CB 4.47Å; F87-V220 HydrophobicContact CZ-CG1 4.36Å; F87-V220 HydrophobicContact CZ-CG2 3.45Å; F87-V220 VanDerWaalsContact CZ-CG2 3.45Å
88D84.3Confident87.7Confident48 Ų4866.3 Ų66.326%0.25735%0.35SS..  trans-87.8114.6176.5-178.5-5.4000110.3G86 R90 W91G86-D88 PolarHBondContact O-N 3.36Å; D88-R90 PolarHBondContact O-N 2.88Å; D88-R90 VanDerWaalsContact OD1-CB 3.31Å; D88-R90 WeakPolarHBondContact OD1-CB 3.48Å; D88-R90 VanDerWaalsContact OD1-CG 3.25Å; D88-R90 WeakPolarHBondContact OD1-CG 3.27Å; D88-R90 PolarHBondContact OD1-N 3.11Å; D88-R90 IonicContact OD1-NE 3.58Å; D88-R90 PolarHBondContact OD1-NE 2.91Å; D88-R90 IonicContact OD2-CZ 3.53Å; D88-R90 IonicContact OD2-NE 3.62Å; D88-R90 PolarHBondContact OD2-NE 3.06Å; D88-R90 IonicContact OD2-NH2 3.88Å; D88-R90 PolarHBondContact OD2-NH2 2.79Å; D88-W91 WeakPolarHBondContact O-CB 3.4Å; D88-W91 VanDerWaalsContact O-CD1 3.3Å; D88-W91 PolarHBondContact O-N 3.4Å; D88-W91 VanDerWaalsContact O-N 3.08Å
89I84.4Confident87.2Confident114 Ų11465.9 Ų65.959%0.58536%0.363SS*.THydrogen-bonded Turntrans-58.9-18-179.2-159.1166.9000113.4W91 I92 S93I89-W91 PolarHBondContact O-N 3.04Å; I89-I92 HydrophobicContact CG1-CD1 3.88Å; I89-I92 HydrophobicContact CG1-CG1 3.92Å; I89-I92 WeakPolarHBondContact O-CG1 3.47Å; I89-I92 PolarHBondContact O-N 3.07Å; I89-S93 PolarHBondContact O-N 2.97Å; I89-S93 PolarHBondContact O-OG 3.35Å
90R84.8Confident87Confident151 Ų15163.1 Ų63.157%0.5734%0.344SS*.Hα-helixtrans-59.2-33.5175.2-64.3-177.1-66164.91.3111.8D88 I92 S93 D94 I97D88-R90 PolarHBondContact O-N 2.88Å; D88-R90 VanDerWaalsContact OD1-CB 3.31Å; D88-R90 WeakPolarHBondContact OD1-CB 3.48Å; D88-R90 VanDerWaalsContact OD1-CG 3.25Å; D88-R90 WeakPolarHBondContact OD1-CG 3.27Å; D88-R90 PolarHBondContact OD1-N 3.11Å; D88-R90 IonicContact OD1-NE 3.58Å; D88-R90 PolarHBondContact OD1-NE 2.91Å; D88-R90 IonicContact OD2-CZ 3.53Å; D88-R90 IonicContact OD2-NE 3.62Å; D88-R90 PolarHBondContact OD2-NE 3.06Å; D88-R90 IonicContact OD2-NH2 3.88Å; D88-R90 PolarHBondContact OD2-NH2 2.79Å; R90-I92 PolarHBondContact O-N 3.25Å; R90-S93 WeakPolarHBondContact CA-OG 3.23Å; R90-S93 PolarHBondContact O-N 2.93Å; R90-S93 PolarHBondContact O-OG 2.82Å; R90-D94 PolarHBondContact O-N 3.29Å; R90-I97 HydrophobicContact CB-CD1 3.51Å; R90-I97 WeakPolarHBondContact O-CD1 3.4Å
91W82.4Confident86.9Confident48 Ų4863.9 Ų63.918%0.18235%0.349CS..Hα-helixtrans-56.7-25.9177.7-79.293.6000114.7F87 D88 I89 I97 A103 I119 A307F87-W91 HydrophobicContact CE2-CB 3.95Å; F87-W91 HydrophobicContact CE2-CG 4.44Å; F87-W91 HydrophobicContact CZ-CB 4.05Å; D88-W91 WeakPolarHBondContact O-CB 3.4Å; D88-W91 VanDerWaalsContact O-CD1 3.3Å; D88-W91 PolarHBondContact O-N 3.4Å; D88-W91 VanDerWaalsContact O-N 3.08Å; I89-W91 PolarHBondContact O-N 3.04Å; W91-I97 HydrophobicContact CD2-CG2 3.81Å; W91-I97 HydrophobicContact CE3-CG2 3.68Å; W91-I97 HydrophobicContact CH2-CG2 3.8Å; W91-I97 HydrophobicContact CZ2-CG2 3.97Å; W91-I97 HydrophobicContact CZ3-CG2 3.68Å; W91-A103 HydrophobicContact CE3-CB 3.94Å; W91-A103 HydrophobicContact CH2-CB 4.49Å; W91-A103 HydrophobicContact CZ3-CB 3.57Å; W91-I119 HydrophobicContact CB-CD1 3.87Å; W91-I119 HydrophobicContact CB-CG2 4.23Å; W91-I119 HydrophobicContact CD2-CD1 3.64Å; W91-I119 HydrophobicContact CE3-CD1 3.77Å; W91-I119 HydrophobicContact CG-CD1 3.67Å; W91-A307 HydrophobicContact CH2-CB 3.24Å; W91-A307 HydrophobicContact CZ2-CB 3.32Å; W91-A307 HydrophobicContact CZ3-CB 4.02Å
92I83.4Confident86.9Confident47 Ų4761 Ų6124%0.24133%0.332CS..Hα-helixtrans-104.1-13.9178.457.8166.7000113.5F87 I89 R90 I119 T142 P218 V220F87-I92 HydrophobicContact CE1-CD1 4.38Å; F87-I92 HydrophobicContact CE1-CG1 4.4Å; F87-I92 HydrophobicContact CZ-CG1 4.35Å; F87-I92 HydrophobicContact CZ-CG2 3.9Å; I89-I92 HydrophobicContact CG1-CD1 3.88Å; I89-I92 HydrophobicContact CG1-CG1 3.92Å; I89-I92 WeakPolarHBondContact O-CG1 3.47Å; I89-I92 PolarHBondContact O-N 3.07Å; R90-I92 PolarHBondContact O-N 3.25Å; I92-I119 HydrophobicContact CG2-CG2 4.09Å; I92-T142 HydrophobicContact CD1-CG2 3.91Å; I92-P218 HydrophobicContact CB-CB 3.98Å; I92-P218 HydrophobicContact CB-CG 3.82Å; I92-P218 HydrophobicContact CG2-CB 3.73Å; I92-P218 HydrophobicContact CG2-CG 4.07Å; I92-V220 HydrophobicContact CG2-CG2 3.92Å
93S79Confident86.9Confident90 Ų9059.4 Ų59.463%0.62932%0.321SS*.Hα-helixtrans-106.9-25-175.649.50000113.8I89 R90I89-S93 PolarHBondContact O-N 2.97Å; I89-S93 PolarHBondContact O-OG 3.35Å; R90-S93 WeakPolarHBondContact CA-OG 3.23Å; R90-S93 PolarHBondContact O-N 2.93Å; R90-S93 PolarHBondContact O-OG 2.82Å
94D80.9Confident87Confident68 Ų6853.1 Ų53.136%0.36429%0.293SS..  trans-110.7105.8179.3-172.5-2.7000110.7R90 N96 I97R90-D94 PolarHBondContact O-N 3.29Å; D94-N96 PolarHBondContact O-N 2.76Å; D94-N96 VanDerWaalsContact O-N 3.11Å; D94-N96 VanDerWaalsContact OD1-CB 3.26Å; D94-N96 WeakPolarHBondContact OD1-CB 3.49Å; D94-N96 PolarHBondContact OD1-N 3.29Å; D94-N96 PolarHBondContact OD1-ND2 3.46Å; D94-I97 HydrophobicContact CB-CD1 3.86Å; D94-I97 HydrophobicContact CB-CG1 3.97Å; D94-I97 PolarHBondContact O-N 2.85Å
95S74.5Confident86.9Confident96 Ų9652.1 Ų52.167%0.67129%0.288SS*.THydrogen-bonded Turntrans-63.4-13177.555.60000113.7
96N76.9Confident86.9Confident137 Ų13756.2 Ų56.273%0.73331%0.307SS*.THydrogen-bonded Turntrans-86.3-11.1-179.2-55.5-58.7000113.7D94 S98D94-N96 PolarHBondContact O-N 2.76Å; D94-N96 VanDerWaalsContact O-N 3.11Å; D94-N96 VanDerWaalsContact OD1-CB 3.26Å; D94-N96 WeakPolarHBondContact OD1-CB 3.49Å; D94-N96 PolarHBondContact OD1-N 3.29Å; D94-N96 PolarHBondContact OD1-ND2 3.46Å; N96-S98 VanDerWaalsContact C-N 3.3Å; N96-S98 PolarHBondContact O-N 3.12Å
97I81.6Confident87.2Confident56 Ų5655.5 Ų55.529%0.28730%0.297SS..SBendtrans-67.5-35.6-178.3-71.8177.1000111.7R90 W91 D94R90-I97 HydrophobicContact CB-CD1 3.51Å; R90-I97 WeakPolarHBondContact O-CD1 3.4Å; W91-I97 HydrophobicContact CD2-CG2 3.81Å; W91-I97 HydrophobicContact CE3-CG2 3.68Å; W91-I97 HydrophobicContact CH2-CG2 3.8Å; W91-I97 HydrophobicContact CZ2-CG2 3.97Å; W91-I97 HydrophobicContact CZ3-CG2 3.68Å; D94-I97 HydrophobicContact CB-CD1 3.86Å; D94-I97 HydrophobicContact CB-CG1 3.97Å; D94-I97 PolarHBondContact O-N 2.85Å
98S82Confident87.6Confident9 Ų956 Ų566%0.06330%0.3CS..  trans-146.1145.4-178.5-177.70000109.6N96 A100 K121 E305N96-S98 VanDerWaalsContact C-N 3.3Å; N96-S98 PolarHBondContact O-N 3.12Å; S98-A100 PolarHBondContact OG-N 3.06Å; S98-A100 VanDerWaalsContact OG-N 3.11Å; S98-K121 PolarHBondContact O-NZ 2.9Å; S98-E305 WeakPolarHBondContact CA-OE1 3.04Å; S98-E305 WeakPolarHBondContact CB-OE1 2.99Å; S98-E305 VanDerWaalsContact OG-CD 3.26Å; S98-E305 PolarHBondContact OG-OE1 3.18Å
99S87.9Confident88.1Confident93 Ų9357.6 Ų57.665%0.6531%0.306SS*.  trans-87.8-19.3167.564.80000112.4
100A93.2Very high88.5Confident1 Ų154.5 Ų54.51%0.00829%0.291CS..SBendtrans-70.5148-173.100000113.5S98 V102 K121 W303 E305S98-A100 PolarHBondContact OG-N 3.06Å; S98-A100 VanDerWaalsContact OG-N 3.11Å; A100-V102 VanDerWaalsContact CB-O 3.31Å; A100-V102 WeakPolarHBondContact CB-O 3.43Å; A100-V102 PolarHBondContact O-N 3.33Å; A100-K121 VanDerWaalsContact O-CD 3.3Å; A100-K121 WeakPolarHBondContact O-CD 3.15Å; A100-K121 WeakPolarHBondContact O-CE 3.21Å; A100-K121 PolarHBondContact O-NZ 3.3Å; A100-W303 VanDerWaalsContact CA-NE1 3.3Å; A100-W303 HydrophobicContact CB-CG 4.41Å; A100-W303 VanDerWaalsContact CB-NE1 3.31Å; A100-E305 HydrophobicContact CB-CB 3.67Å
101P94.3Very high88.8Confident21 Ų2156.3 Ų56.314%0.13631%0.306CS..SBendtrans-68.5-25.4176.329.1-36000111.8K121 S124 W303P101-K121 PolarHBondContact O-N 2.79Å; P101-K121 VanDerWaalsContact O-N 3.11Å; P101-S124 WeakPolarHBondContact O-CB 3.3Å; P101-S124 PolarHBondContact O-OG 3.03Å; P101-W303 VanDerWaalsContact CD-CZ2 3.44Å; P101-W303 WeakPolarHBondContact CD-O 3.45Å; P101-W303 HydrophobicContact CG-CD2 4.01Å; P101-W303 HydrophobicContact CG-CE3 3.77Å; P101-W303 HydrophobicContact CG-CH2 4.33Å; P101-W303 HydrophobicContact CG-CZ3 3.93Å; P101-W303 WeakPolarHBondContact CG-O 3.37Å
102V95.9Very high89.3Confident1 Ų155 Ų551%0.00630%0.303CS..EExtended strand (participates in β ladder)trans-135.4141.6176.7-1760000109.4A100 F118 I119 L120 I126 Y302 C304 E305A100-V102 VanDerWaalsContact CB-O 3.31Å; A100-V102 WeakPolarHBondContact CB-O 3.43Å; A100-V102 PolarHBondContact O-N 3.33Å; V102-F118 HydrophobicContact CG1-CD1 3.84Å; V102-I119 CarbonylContact C-O 3.6Å; V102-I119 VanDerWaalsContact CA-O 3.25Å; V102-I119 WeakPolarHBondContact CA-O 3.39Å; V102-L120 HydrophobicContact CG1-CD1 4.3Å; V102-L120 HydrophobicContact CG1-CG 4.4Å; V102-L120 HydrophobicContact CG2-CG 4.12Å; V102-I126 HydrophobicContact CG1-CG1 4.34Å; V102-I126 HydrophobicContact CG2-CG1 4.3Å; V102-Y302 HydrophobicContact CB-CE2 4.08Å; V102-Y302 HydrophobicContact CG2-CD2 4.15Å; V102-Y302 HydrophobicContact CG2-CE2 3.77Å; V102-C304 VanDerWaalsContact O-CA 3.31Å; V102-C304 WeakPolarHBondContact O-CA 3.5Å; V102-E305 PolarHBondContact O-N 3.03Å; V102-E305 VanDerWaalsContact O-N 3.09Å
103A94.9Very high89.9Confident5 Ų552.7 Ų52.74%0.04129%0.291CS..EExtended strand (participates in β ladder)trans-119.1148.5167.900000110.7W91 F118 I119 E305W91-A103 HydrophobicContact CE3-CB 3.94Å; W91-A103 HydrophobicContact CH2-CB 4.49Å; W91-A103 HydrophobicContact CZ3-CB 3.57Å; A103-F118 WeakPolarHBondContact O-CA 3.43Å; A103-I119 HydrophobicContact CB-CB 4.26Å; A103-I119 HydrophobicContact CB-CD1 4.34Å; A103-I119 PolarHBondContact N-O 2.98Å; A103-I119 PolarHBondContact O-N 2.99Å; A103-E305 CarbonylContact C-O 3.55Å; A103-E305 VanDerWaalsContact CA-O 3.23Å; A103-E305 WeakPolarHBondContact CA-O 3.44Å
104Y95.7Very high90.7Very high48 Ų4848.8 Ų48.819%0.18826%0.263CS..EExtended strand (participates in β ladder)trans-122.1120.8179178.4-108.6000110.7H106 I117 F118 C304 E305 S306 A307Y104-H106 HydrophobicContact CD1-CB 4.45Å; Y104-H106 HydrophobicContact CE1-CB 3.85Å; Y104-I117 CarbonylContact C-O 3.48Å; Y104-I117 WeakPolarHBondContact CA-O 3.25Å; Y104-F118 AromaticContact CD2-CD1 3.92Å; Y104-F118 HydrophobicContact CD2-CD1 3.92Å; Y104-F118 HydrophobicContact CD2-CD2 4.04Å; Y104-F118 AromaticContact CD2-CE1 3.59Å; Y104-F118 HydrophobicContact CD2-CE1 3.59Å; Y104-F118 AromaticContact CD2-CE2 3.72Å; Y104-F118 HydrophobicContact CD2-CE2 3.72Å; Y104-F118 HydrophobicContact CD2-CG 4.14Å; Y104-F118 AromaticContact CD2-CZ 3.49Å; Y104-F118 HydrophobicContact CD2-CZ 3.49Å; Y104-F118 VanDerWaalsContact CD2-CZ 3.49Å; Y104-F118 HydrophobicContact CE2-CD2 4.3Å; Y104-F118 HydrophobicContact CE2-CE1 4.37Å; Y104-F118 AromaticContact CE2-CE2 3.76Å; Y104-F118 HydrophobicContact CE2-CE2 3.76Å; Y104-F118 AromaticContact CE2-CZ 3.8Å; Y104-F118 HydrophobicContact CE2-CZ 3.8Å; Y104-F118 HydrophobicContact CG-CE1 4.2Å; Y104-F118 HydrophobicContact CG-CZ 4.39Å; Y104-C304 WeakPolarHBondContact CB-SG 3.43Å; Y104-C304 PolarHBondContact N-SG 3.06Å; Y104-E305 PolarHBondContact N-O 2.93Å; Y104-S306 WeakPolarHBondContact O-CA 3.16Å; Y104-A307 PolarHBondContact O-N 3.4Å
105V95.4Very high91.5Very high10 Ų1045.5 Ų45.56%0.06125%0.246CC..EExtended strand (participates in β ladder)trans-98.7108.8172.3-177.20000107.7I107 G116 I117 I119 A307 Y309V105-I107 PolarHBondContact O-N 2.51Å; V105-G116 CarbonylContact O-C 3.56Å; V105-G116 WeakPolarHBondContact O-CA 3.43Å; V105-I117 HydrophobicContact CB-CB 4.17Å; V105-I117 PolarHBondContact N-O 3.37Å; V105-I117 PolarHBondContact O-N 3.06Å; V105-I119 HydrophobicContact CG2-CD1 3.99Å; V105-A307 HydrophobicContact CB-CB 4.48Å; V105-A307 HydrophobicContact CG2-CB 3.64Å; V105-Y309 HydrophobicContact CG1-CD2 4.03Å; V105-Y309 HydrophobicContact CG1-CG 4.4Å
106H95.3Very high92.6Very high86 Ų8641 Ų4140%0.39822%0.215SC..EExtended strand (participates in β ladder)trans-71.8123172.8178.992.2000109.7Y104 M108 Y309Y104-H106 HydrophobicContact CD1-CB 4.45Å; Y104-H106 HydrophobicContact CE1-CB 3.85Å; H106-M108 WeakPolarHBondContact NE2-CA 3.28Å; H106-Y309 WeakPolarHBondContact O-CB 3.47Å
107I96.5Very high93.6Very high11 Ų1134.6 Ų34.66%0.05618%0.18CC..EExtended strand (participates in β ladder)trans-95.2-54.6175.4-63.2175.1000109.6V105 M115 I117 L222 Y309 I314V105-I107 PolarHBondContact O-N 2.51Å; I107-M115 HydrophobicContact CB-CG 4.31Å; I107-M115 WeakPolarHBondContact CB-O 3.33Å; I107-M115 HydrophobicContact CD1-CG 4.12Å; I107-M115 HydrophobicContact CD1-SD 4.31Å; I107-M115 HydrophobicContact CG2-SD 4.36Å; I107-M115 PolarHBondContact N-O 3.03Å; I107-I117 HydrophobicContact CD1-CD1 3.91Å; I107-I117 HydrophobicContact CD1-CG1 3.82Å; I107-L222 HydrophobicContact CD1-CD1 3.77Å; I107-Y309 HydrophobicContact CB-CD2 4.48Å; I107-Y309 HydrophobicContact CD1-CD2 4.42Å; I107-Y309 HydrophobicContact CD1-CE2 4.16Å; I107-Y309 HydrophobicContact CG1-CD2 3.68Å; I107-Y309 HydrophobicContact CG1-CE2 3.82Å; I107-Y309 HydrophobicContact CG1-CG 4.38Å; I107-Y309 HydrophobicContact CG2-CE2 4.29Å; I107-I314 HydrophobicContact CG2-CD1 4.33Å; I107-I314 HydrophobicContact CG2-CG2 3.8Å; I107-I314 WeakPolarHBondContact O-CD1 3.38Å
108M95.9Very high94.3Very high35 Ų3533.4 Ų33.417%0.17217%0.173CC..EExtended strand (participates in β ladder)trans-163.5163.3176.565.3174.3-57.200113A9 H106 F113 S114 M115 I314A9-M108 HydrophobicContact CB-SD 3.54Å; A9-M108 VanDerWaalsContact CB-SD 3.54Å; H106-M108 WeakPolarHBondContact NE2-CA 3.28Å; M108-F113 HydrophobicContact CE-CE1 4.46Å; M108-F113 HydrophobicContact CE-CE2 4.34Å; M108-F113 HydrophobicContact CE-CZ 3.78Å; M108-F113 HydrophobicContact CG-CE2 4.01Å; M108-F113 HydrophobicContact CG-CZ 4.34Å; M108-F113 HydrophobicContact SD-CE2 3.8Å; M108-F113 HydrophobicContact SD-CZ 3.55Å; M108-F113 VanDerWaalsContact SD-CZ 3.55Å; M108-S114 WeakPolarHBondContact O-CA 3.49Å; M108-M115 HydrophobicContact CG-CB 4.06Å; M108-M115 PolarHBondContact N-O 3.36Å; M108-M115 VanDerWaalsContact N-O 3.13Å; M108-M115 PolarHBondContact O-N 3.19Å; M108-I314 HydrophobicContact CB-CD1 3.48Å; M108-I314 VanDerWaalsContact CB-CD1 3.48Å; M108-I314 HydrophobicContact CG-CD1 4.1Å; M108-I314 HydrophobicContact SD-CD1 4.04Å
109E95.1Very high95Very high83 Ų8333.2 Ų33.239%0.38817%0.172SC..EExtended strand (participates in β ladder)trans-149.8145.8169.9-177.9170.9128.900110.2P228 H231E109-P228 HydrophobicContact CG-CB 4.16Å; E109-P228 HydrophobicContact CG-CG 4Å; E109-H231 IonicContact OE1-CD2 3.54Å
110N92.9Very high95.4Very high48 Ų4828.8 Ų28.826%0.25714%0.141SC..  trans-147.4-178.7168.860.251.8000108.5V112 F113 P228N110-V112 PolarHBondContact O-N 2.92Å; N110-V112 WeakPolarHBondContact OD1-CA 3.3Å; N110-V112 VanDerWaalsContact OD1-CB 3.3Å; N110-V112 WeakPolarHBondContact OD1-CB 3.45Å; N110-V112 PolarHBondContact OD1-N 3.15Å; N110-F113 PolarHBondContact N-O 3.29Å; N110-F113 WeakPolarHBondContact ND2-CE1 3.49Å; N110-F113 PolarHBondContact O-N 2.8Å; N110-F113 PolarHBondContact OD1-N 2.99Å; N110-F113 PolarHBondContact OD1-O 2.95Å; N110-P228 WeakPolarHBondContact O-CG 3.36Å
111E90.6Very high95.4Very high190 Ų19031.5 Ų31.589%0.88815%0.152SC*.SBendtrans-60.5-17.3-178.3-59.4178.7-177.900114.7
112V93.4Very high95.4Very high19 Ų1934.8 Ų34.812%0.11517%0.173CC..SBendtrans-97.6-41.3-175.1-179.50000112.2F13 F16 Q17 N110F13-V112 HydrophobicContact CD2-CB 4.13Å; F13-V112 HydrophobicContact CD2-CG2 3.94Å; F13-V112 HydrophobicContact CE2-CB 4.29Å; F13-V112 HydrophobicContact CE2-CG2 3.61Å; F13-V112 HydrophobicContact CZ-CG2 4.34Å; F16-V112 HydrophobicContact CB-CG1 3.68Å; Q17-V112 HydrophobicContact CB-CG1 4.34Å; N110-V112 PolarHBondContact O-N 2.92Å; N110-V112 WeakPolarHBondContact OD1-CA 3.3Å; N110-V112 VanDerWaalsContact OD1-CB 3.3Å; N110-V112 WeakPolarHBondContact OD1-CB 3.45Å; N110-V112 PolarHBondContact OD1-N 3.15Å
113F95.6Very high95.3Very high0 Ų038.7 Ų38.70%021%0.214CC..  trans-157.5158.7-179.176.2-86.2000112.5A9 A12 F13 F16 M108 N110 M115 I224 L225 A226A9-F113 HydrophobicContact CB-CZ 4.27Å; A9-F113 WeakPolarHBondContact O-CZ 3.36Å; A12-F113 HydrophobicContact CB-CD1 4.05Å; A12-F113 HydrophobicContact CB-CD2 4.18Å; A12-F113 HydrophobicContact CB-CE1 3.9Å; A12-F113 HydrophobicContact CB-CE2 4.07Å; A12-F113 HydrophobicContact CB-CG 4.18Å; A12-F113 HydrophobicContact CB-CZ 3.91Å; F13-F113 HydrophobicContact CB-CE1 3.95Å; F16-F113 HydrophobicContact CD2-CB 4.12Å; M108-F113 HydrophobicContact CE-CE1 4.46Å; M108-F113 HydrophobicContact CE-CE2 4.34Å; M108-F113 HydrophobicContact CE-CZ 3.78Å; M108-F113 HydrophobicContact CG-CE2 4.01Å; M108-F113 HydrophobicContact CG-CZ 4.34Å; M108-F113 HydrophobicContact SD-CE2 3.8Å; M108-F113 HydrophobicContact SD-CZ 3.55Å; M108-F113 VanDerWaalsContact SD-CZ 3.55Å; N110-F113 PolarHBondContact N-O 3.29Å; N110-F113 WeakPolarHBondContact ND2-CE1 3.49Å; N110-F113 PolarHBondContact O-N 2.8Å; N110-F113 PolarHBondContact OD1-N 2.99Å; N110-F113 PolarHBondContact OD1-O 2.95Å; F113-M115 HydrophobicContact CD2-CB 4.31Å; F113-M115 HydrophobicContact CE2-CB 3.99Å; F113-M115 HydrophobicContact CE2-CE 3.65Å; F113-M115 HydrophobicContact CZ-CE 4.3Å; F113-I224 HydrophobicContact CB-CG2 4.43Å; F113-I224 HydrophobicContact CD2-CG2 3.87Å; F113-I224 HydrophobicContact CG-CG2 4.43Å; F113-L225 CarbonylContact C-O 3.43Å; F113-L225 WeakPolarHBondContact CA-O 3.2Å; F113-L225 VanDerWaalsContact CB-O 3.27Å; F113-L225 WeakPolarHBondContact CB-O 3.24Å; F113-A226 HydrophobicContact CB-CB 3.99Å
114S96.5Very high95.3Very high7 Ų739 Ų395%0.04922%0.216CC..EExtended strand (participates in β ladder)trans-113.7151.5165.762.20000110.4M108 I224 L225M108-S114 WeakPolarHBondContact O-CA 3.49Å; S114-I224 CarbonylContact O-C 3.51Å; S114-I224 VanDerWaalsContact O-CA 3.3Å; S114-I224 WeakPolarHBondContact O-CA 3.48Å; S114-L225 PolarHBondContact N-O 3.28Å; S114-L225 PolarHBondContact O-N 3.18Å
115M98Very high95.4Very high0 Ų040.6 Ų40.60%022%0.221CC..EExtended strand (participates in β ladder)trans-138.6133177.5-177.8-178.4-3800109.8I5 V8 A9 I107 M108 F113 L222 D223 I224I5-M115 HydrophobicContact CD1-SD 3.51Å; I5-M115 VanDerWaalsContact CD1-SD 3.51Å; I5-M115 HydrophobicContact CG1-SD 4.41Å; V8-M115 HydrophobicContact CG1-CE 3.96Å; V8-M115 HydrophobicContact CG1-SD 4.49Å; A9-M115 HydrophobicContact CB-CE 4.05Å; I107-M115 HydrophobicContact CB-CG 4.31Å; I107-M115 WeakPolarHBondContact CB-O 3.33Å; I107-M115 HydrophobicContact CD1-CG 4.12Å; I107-M115 HydrophobicContact CD1-SD 4.31Å; I107-M115 HydrophobicContact CG2-SD 4.36Å; I107-M115 PolarHBondContact N-O 3.03Å; M108-M115 HydrophobicContact CG-CB 4.06Å; M108-M115 PolarHBondContact N-O 3.36Å; M108-M115 VanDerWaalsContact N-O 3.13Å; M108-M115 PolarHBondContact O-N 3.19Å; F113-M115 HydrophobicContact CD2-CB 4.31Å; F113-M115 HydrophobicContact CE2-CB 3.99Å; F113-M115 HydrophobicContact CE2-CE 3.65Å; F113-M115 HydrophobicContact CZ-CE 4.3Å; M115-L222 HydrophobicContact CG-CD1 3.84Å; M115-L222 HydrophobicContact CG-CG 4.5Å; M115-L222 HydrophobicContact SD-CD1 4.1Å; M115-D223 WeakPolarHBondContact CA-O 3.47Å; M115-I224 HydrophobicContact CB-CG1 4.38Å; M115-I224 HydrophobicContact CE-CD1 4.07Å; M115-I224 HydrophobicContact CE-CG1 4.24Å; M115-I224 HydrophobicContact CG-CG1 3.95Å; M115-I224 HydrophobicContact SD-CG1 4.46Å
116G97.3Very high95.5Very high1 Ų140.4 Ų40.41%0.0122%0.22CC..EExtended strand (participates in β ladder)trans-157.1176.2177.700000112.6V105 L222 D223V105-G116 CarbonylContact O-C 3.56Å; V105-G116 WeakPolarHBondContact O-CA 3.43Å; G116-L222 WeakPolarHBondContact O-CA 3.33Å; G116-D223 PolarHBondContact N-O 3.15Å; G116-D223 PolarHBondContact O-N 2.89Å
117I97.1Very high95.7Very high2 Ų236.5 Ų36.51%0.0120%0.202CC..EExtended strand (participates in β ladder)trans-120.6130.8176.7-61.2165000108.5V85 Y104 V105 I107 I119 L141 V220 F221 L222V85-I117 HydrophobicContact CB-CD1 3.9Å; V85-I117 HydrophobicContact CG2-CD1 3.59Å; Y104-I117 CarbonylContact C-O 3.48Å; Y104-I117 WeakPolarHBondContact CA-O 3.25Å; V105-I117 HydrophobicContact CB-CB 4.17Å; V105-I117 PolarHBondContact N-O 3.37Å; V105-I117 PolarHBondContact O-N 3.06Å; I107-I117 HydrophobicContact CD1-CD1 3.91Å; I107-I117 HydrophobicContact CD1-CG1 3.82Å; I117-I119 HydrophobicContact CG2-CG1 4.29Å; I117-L141 HydrophobicContact CD1-CD1 4.42Å; I117-L141 HydrophobicContact CG1-CD1 4.36Å; I117-L141 HydrophobicContact CG2-CD1 4.48Å; I117-V220 HydrophobicContact CG2-CG1 3.35Å; I117-F221 WeakPolarHBondContact CA-O 3.36Å; I117-L222 HydrophobicContact CG1-CD1 4.05Å
118F97.3Very high95.7Very high31 Ų3136.2 Ų36.214%0.13620%0.201CC..EExtended strand (participates in β ladder)trans-99137.9167.7-72.6-85.5000110.6V102 A103 Y104 L120 I126 V220 F221 D223V102-F118 HydrophobicContact CG1-CD1 3.84Å; A103-F118 WeakPolarHBondContact O-CA 3.43Å; Y104-F118 AromaticContact CD2-CD1 3.92Å; Y104-F118 HydrophobicContact CD2-CD1 3.92Å; Y104-F118 HydrophobicContact CD2-CD2 4.04Å; Y104-F118 AromaticContact CD2-CE1 3.59Å; Y104-F118 HydrophobicContact CD2-CE1 3.59Å; Y104-F118 AromaticContact CD2-CE2 3.72Å; Y104-F118 HydrophobicContact CD2-CE2 3.72Å; Y104-F118 HydrophobicContact CD2-CG 4.14Å; Y104-F118 AromaticContact CD2-CZ 3.49Å; Y104-F118 HydrophobicContact CD2-CZ 3.49Å; Y104-F118 VanDerWaalsContact CD2-CZ 3.49Å; Y104-F118 HydrophobicContact CE2-CD2 4.3Å; Y104-F118 HydrophobicContact CE2-CE1 4.37Å; Y104-F118 AromaticContact CE2-CE2 3.76Å; Y104-F118 HydrophobicContact CE2-CE2 3.76Å; Y104-F118 AromaticContact CE2-CZ 3.8Å; Y104-F118 HydrophobicContact CE2-CZ 3.8Å; Y104-F118 HydrophobicContact CG-CE1 4.2Å; Y104-F118 HydrophobicContact CG-CZ 4.39Å; F118-L120 HydrophobicContact CB-CD1 3.78Å; F118-I126 HydrophobicContact CB-CD1 4.25Å; F118-I126 HydrophobicContact CD1-CD1 3.86Å; F118-I126 HydrophobicContact CE1-CD1 4.31Å; F118-I126 HydrophobicContact CG-CD1 3.97Å; F118-V220 VanDerWaalsContact O-CA 3.31Å; F118-V220 WeakPolarHBondContact O-CA 3.3Å; F118-F221 HydrophobicContact CB-CD1 4.15Å; F118-F221 HydrophobicContact CB-CD2 4.36Å; F118-F221 HydrophobicContact CB-CE1 3.65Å; F118-F221 HydrophobicContact CB-CE2 3.89Å; F118-F221 HydrophobicContact CB-CG 4.48Å; F118-F221 HydrophobicContact CB-CZ 3.5Å; F118-F221 HydrophobicContact CD2-CD2 4.34Å; F118-F221 AromaticContact CD2-CE2 3.47Å; F118-F221 HydrophobicContact CD2-CE2 3.47Å; F118-F221 VanDerWaalsContact CD2-CE2 3.47Å; F118-F221 AromaticContact CD2-CZ 3.62Å; F118-F221 HydrophobicContact CD2-CZ 3.62Å; F118-F221 HydrophobicContact CE2-CE2 4.35Å; F118-F221 HydrophobicContact CG-CE1 4.36Å; F118-F221 HydrophobicContact CG-CE2 4.02Å; F118-F221 AromaticContact CG-CZ 3.74Å; F118-F221 HydrophobicContact CG-CZ 3.74Å; F118-F221 PolarHBondContact N-O 2.79Å; F118-F221 PolarHBondContact O-N 2.97Å; F118-D223 HydrophobicContact CD2-CB 4.1Å; F118-D223 HydrophobicContact CE2-CB 4.07Å
119I96.1Very high95.8Very high6 Ų635.1 Ų35.13%0.03120%0.195CC..EExtended strand (participates in β ladder)trans-119.6112.7177.8-54.1165.2000106.9F87 W91 I92 V102 A103 V105 I117 V220F87-I119 HydrophobicContact CD2-CD1 4.48Å; F87-I119 HydrophobicContact CE2-CD1 3.83Å; F87-I119 HydrophobicContact CE2-CG1 3.91Å; W91-I119 HydrophobicContact CB-CD1 3.87Å; W91-I119 HydrophobicContact CB-CG2 4.23Å; W91-I119 HydrophobicContact CD2-CD1 3.64Å; W91-I119 HydrophobicContact CE3-CD1 3.77Å; W91-I119 HydrophobicContact CG-CD1 3.67Å; I92-I119 HydrophobicContact CG2-CG2 4.09Å; V102-I119 CarbonylContact C-O 3.6Å; V102-I119 VanDerWaalsContact CA-O 3.25Å; V102-I119 WeakPolarHBondContact CA-O 3.39Å; A103-I119 HydrophobicContact CB-CB 4.26Å; A103-I119 HydrophobicContact CB-CD1 4.34Å; A103-I119 PolarHBondContact N-O 2.98Å; A103-I119 PolarHBondContact O-N 2.99Å; V105-I119 HydrophobicContact CG2-CD1 3.99Å; I117-I119 HydrophobicContact CG2-CG1 4.29Å; I119-V220 HydrophobicContact CG1-CG1 4.36Å; I119-V220 HydrophobicContact CG2-CG2 4.31Å
120L96.3Very high95.9Very high0 Ų031.3 Ų31.30%018%0.177CC..EExtended strand (participates in β ladder)trans-107.6123.4-176.3-73.372.2000108.9V102 F118 I126 I212 P214 P218 A219 F221V102-L120 HydrophobicContact CG1-CD1 4.3Å; V102-L120 HydrophobicContact CG1-CG 4.4Å; V102-L120 HydrophobicContact CG2-CG 4.12Å; F118-L120 HydrophobicContact CB-CD1 3.78Å; L120-I126 HydrophobicContact CD1-CD1 4.13Å; L120-I126 HydrophobicContact CD1-CG1 4.5Å; L120-I126 HydrophobicContact CD2-CD1 4.42Å; L120-I126 HydrophobicContact CD2-CG1 4.19Å; L120-I126 HydrophobicContact CG-CG1 4.45Å; L120-I212 HydrophobicContact CD2-CG2 4.11Å; L120-P214 HydrophobicContact CB-CB 4.08Å; L120-P214 HydrophobicContact CB-CG 3.99Å; L120-P214 HydrophobicContact CD2-CG 4.48Å; L120-P218 CarbonylContact O-C 3.57Å; L120-P218 WeakPolarHBondContact O-CA 3.41Å; L120-P218 WeakPolarHBondContact O-CB 3.46Å; L120-A219 PolarHBondContact N-O 2.9Å; L120-A219 PolarHBondContact O-N 2.92Å; L120-F221 HydrophobicContact CD1-CD1 3.91Å; L120-F221 HydrophobicContact CD1-CE1 3.45Å; L120-F221 VanDerWaalsContact CD1-CE1 3.45Å; L120-F221 HydrophobicContact CD1-CZ 4.42Å; L120-F221 HydrophobicContact CD2-CE1 4.41Å
121K94.2Very high96Very high57 Ų5729.1 Ų29.125%0.24817%0.166CC..  trans-73.1157.3173.4-70.9-177179.4163.10112.3S98 A100 P101 G123 S124 P214S98-K121 PolarHBondContact O-NZ 2.9Å; A100-K121 VanDerWaalsContact O-CD 3.3Å; A100-K121 WeakPolarHBondContact O-CD 3.15Å; A100-K121 WeakPolarHBondContact O-CE 3.21Å; A100-K121 PolarHBondContact O-NZ 3.3Å; P101-K121 PolarHBondContact O-N 2.79Å; P101-K121 VanDerWaalsContact O-N 3.11Å; K121-G123 PolarHBondContact O-N 2.91Å; K121-S124 PolarHBondContact N-OG 3.43Å; K121-S124 WeakPolarHBondContact O-CB 3.39Å; K121-S124 PolarHBondContact O-N 2.89Å; K121-S124 PolarHBondContact O-OG 3.11Å; K121-P214 VanDerWaalsContact O-CG 3.25Å; K121-P214 WeakPolarHBondContact O-CG 3.48Å
122P93.8Very high96.1Very high90 Ų9021.4 Ų21.458%0.58413%0.132SC*.THydrogen-bonded Turntrans-52.8131.9172.3-22.232000111.6S124 P218P122-S124 VanDerWaalsContact C-N 3.26Å; P122-S124 PolarHBondContact O-N 2.8Å; P122-P218 HydrophobicContact CG-CB 4.44Å
123G92.4Very high96Very high83 Ų8322.9 Ų22.986%0.85615%0.151SC*.THydrogen-bonded Turntrans77.5-0.8179.500000115.6K121K121-G123 PolarHBondContact O-N 2.91Å
124S95.8Very high95.9Very high12 Ų1222.9 Ų22.98%0.08415%0.151CC..  trans-81.2177.7170.174.50000112.4P101 K121 P122 P214P101-S124 WeakPolarHBondContact O-CB 3.3Å; P101-S124 PolarHBondContact O-OG 3.03Å; K121-S124 PolarHBondContact N-OG 3.43Å; K121-S124 WeakPolarHBondContact O-CB 3.39Å; K121-S124 PolarHBondContact O-N 2.89Å; K121-S124 PolarHBondContact O-OG 3.11Å; P122-S124 VanDerWaalsContact C-N 3.26Å; P122-S124 PolarHBondContact O-N 2.8Å; S124-P214 WeakPolarHBondContact O-CD 3.04Å
125R97.6Very high95.7Very high81 Ų8125.6 Ų25.631%0.30616%0.161SC..  trans-152.2157.6166.764179.5-173.9-77.8-13.7109.5P127 E211 I212 D301 Y302R125-P127 HydrophobicContact CG-CG 4.38Å; R125-P127 WeakPolarHBondContact O-CD 3.39Å; R125-E211 WeakPolarHBondContact CD-OE2 3.19Å; R125-E211 IonicContact NE-OE2 2.89Å; R125-I212 CarbonylContact C-O 3.49Å; R125-I212 WeakPolarHBondContact CA-O 3.35Å; R125-D301 IonicContact CZ-OD2 3.29Å; R125-D301 VanDerWaalsContact CZ-OD2 3.26Å; R125-D301 IonicContact NH1-OD2 3.11Å; R125-D301 PolarHBondContact NH1-OD2 3.46Å; R125-D301 IonicContact NH2-OD1 2.77Å; R125-D301 PolarHBondContact NH2-OD1 2.75Å; R125-D301 IonicContact NH2-OD2 3.85Å; R125-D301 PolarHBondContact NH2-OD2 3.13Å; R125-Y302 WeakPolarHBondContact O-CD2 3.49Å
126I98.2Very high95.6Very high7 Ų725.8 Ų25.84%0.03616%0.162CC..EExtended strand (participates in β ladder)trans-90.6109.7152.9-59.3171.3000105.1V102 F118 L120 H129 E211 I212 F221 Y302V102-I126 HydrophobicContact CG1-CG1 4.34Å; V102-I126 HydrophobicContact CG2-CG1 4.3Å; F118-I126 HydrophobicContact CB-CD1 4.25Å; F118-I126 HydrophobicContact CD1-CD1 3.86Å; F118-I126 HydrophobicContact CE1-CD1 4.31Å; F118-I126 HydrophobicContact CG-CD1 3.97Å; L120-I126 HydrophobicContact CD1-CD1 4.13Å; L120-I126 HydrophobicContact CD1-CG1 4.5Å; L120-I126 HydrophobicContact CD2-CD1 4.42Å; L120-I126 HydrophobicContact CD2-CG1 4.19Å; L120-I126 HydrophobicContact CG-CG1 4.45Å; I126-H129 WeakPolarHBondContact CG2-CE1 3.46Å; I126-E211 WeakPolarHBondContact O-CG 3.35Å; I126-I212 HydrophobicContact CB-CB 4.33Å; I126-I212 HydrophobicContact CD1-CD1 4.43Å; I126-I212 PolarHBondContact N-O 3.4Å; I126-I212 PolarHBondContact O-N 3.29Å; I126-F221 HydrophobicContact CD1-CE1 3.83Å; I126-F221 HydrophobicContact CD1-CZ 3.52Å; I126-Y302 HydrophobicContact CB-CE2 4.43Å; I126-Y302 HydrophobicContact CG1-CE2 4.18Å; I126-Y302 HydrophobicContact CG2-CE2 4.46Å
127P98.3Very high95.6Very high3 Ų325.7 Ų25.72%0.01916%0.162CC..EExtended strand (participates in β ladder)trans-58.4162.5-174-22.231.6000112.3R125 H129 F240 P299 Y302R125-P127 HydrophobicContact CG-CG 4.38Å; R125-P127 WeakPolarHBondContact O-CD 3.39Å; P127-H129 PolarHBondContact O-N 3.2Å; P127-H129 VanDerWaalsContact O-N 3.08Å; P127-H129 PolarHBondContact O-ND1 2.74Å; P127-F240 HydrophobicContact CB-CD1 4Å; P127-F240 HydrophobicContact CB-CE1 4.32Å; P127-F240 HydrophobicContact CG-CD1 4.43Å; P127-F240 HydrophobicContact CG-CE1 4.34Å; P127-P299 HydrophobicContact CB-CG 3.83Å; P127-P299 HydrophobicContact CG-CB 4.37Å; P127-P299 HydrophobicContact CG-CG 3.77Å; P127-Y302 VanDerWaalsContact CD-CD2 3.43Å; P127-Y302 HydrophobicContact CG-CD1 4.04Å; P127-Y302 HydrophobicContact CG-CD2 4.14Å; P127-Y302 HydrophobicContact CG-CG 3.66Å
128L98.3Very high95.6Very high6 Ų626.2 Ų26.23%0.03116%0.164CC..EExtended strand (participates in β ladder)trans-50.5118175.4-177.762.6000111.3F150 L209 H210 E211 F240 Y241 L293L128-F150 HydrophobicContact CD1-CD2 3.64Å; L128-F150 HydrophobicContact CD1-CE2 3.73Å; L128-F150 HydrophobicContact CD2-CD2 4.45Å; L128-F150 HydrophobicContact CD2-CE2 4.26Å; L128-L209 HydrophobicContact CD1-CB 4.25Å; L128-H210 VanDerWaalsContact CA-O 3.28Å; L128-H210 WeakPolarHBondContact CA-O 3.4Å; L128-E211 HydrophobicContact CB-CB 4.21Å; L128-E211 HydrophobicContact CD1-CB 4.47Å; L128-F240 CarbonylContact O-C 3.6Å; L128-F240 WeakPolarHBondContact O-CA 3.3Å; L128-Y241 PolarHBondContact O-N 3.46Å; L128-L293 HydrophobicContact CD2-CD1 4.09Å; L128-L293 HydrophobicContact CD2-CD2 3.76Å
129H98Very high95.7Very high11 Ų1125 Ų255%0.05116%0.159CC..EExtended strand (participates in β ladder)trans-145168.5-176.764.8-76.1000111.9I126 P127 H131 L209 H210 R239 F240I126-H129 WeakPolarHBondContact CG2-CE1 3.46Å; P127-H129 PolarHBondContact O-N 3.2Å; P127-H129 VanDerWaalsContact O-N 3.08Å; P127-H129 PolarHBondContact O-ND1 2.74Å; H129-H131 AromaticContact CD2-CD2 3.91Å; H129-H131 AromaticContact CD2-NE2 3.29Å; H129-H131 PolarHBondContact CD2-NE2 2.82Å; H129-H131 VanDerWaalsContact CD2-NE2 3.29Å; H129-H131 AromaticContact NE2-CD2 3.88Å; H129-H131 AromaticContact NE2-CE1 3.82Å; H129-H131 AromaticContact NE2-NE2 2.97Å; H129-H131 PolarHBondContact NE2-NE2 2.93Å; H129-L209 CarbonylContact O-C 3.51Å; H129-L209 VanDerWaalsContact O-CA 3.3Å; H129-L209 WeakPolarHBondContact O-CA 3.42Å; H129-H210 AromaticContact CD2-NE2 3.98Å; H129-H210 AromaticContact CE1-CD2 3.29Å; H129-H210 PolarHBondContact CE1-CD2 3.38Å; H129-H210 AromaticContact CE1-NE2 3.35Å; H129-H210 PolarHBondContact CE1-NE2 2.91Å; H129-H210 VanDerWaalsContact CE1-NE2 3.35Å; H129-H210 PolarHBondContact N-O 2.93Å; H129-H210 AromaticContact ND1-CD2 3.9Å; H129-H210 PolarHBondContact ND1-O 3.32Å; H129-H210 AromaticContact NE2-CD2 3.4Å; H129-H210 PolarHBondContact NE2-CD2 2.98Å; H129-H210 AromaticContact NE2-NE2 3.06Å; H129-H210 PolarHBondContact NE2-NE2 2.73Å; H129-H210 PolarHBondContact O-N 3.28Å; H129-R239 CarbonylContact C-O 3.5Å; H129-R239 WeakPolarHBondContact CA-O 3.4Å; H129-R239 WeakPolarHBondContact CB-O 3.25Å; H129-F240 HydrophobicContact CB-CD1 3.96Å; H129-F240 HydrophobicContact CB-CE1 4.12Å
130D96.9Very high95.8Very high3 Ų324.8 Ų24.82%0.01616%0.158CC..  trans-112.4169.9177.270.8-4.1000114.6L209 Y229 R239 Y241D130-L209 HydrophobicContact CB-CD2 3.79Å; D130-L209 HydrophobicContact CB-CG 4.46Å; D130-Y229 PolarHBondContact O-OH 2.85Å; D130-Y229 VanDerWaalsContact O-OH 3.06Å; D130-R239 PolarHBondContact N-O 3.02Å; D130-R239 VanDerWaalsContact N-O 3.12Å; D130-R239 WeakPolarHBondContact OD1-CB 3.17Å; D130-R239 PolarHBondContact OD1-N 3.47Å; D130-Y241 HydrophobicContact CB-CE2 3.86Å; D130-Y241 PolarHBondContact OD2-OH 2.82Å
131H94.7Very high95.8Very high3 Ų325 Ų251%0.01416%0.159CC..  trans-133.470.3177.5-73.7-80.7000109.2H129 G133 M134 L202 N208 H210 Y229H129-H131 AromaticContact CD2-CD2 3.91Å; H129-H131 AromaticContact CD2-NE2 3.29Å; H129-H131 PolarHBondContact CD2-NE2 2.82Å; H129-H131 VanDerWaalsContact CD2-NE2 3.29Å; H129-H131 AromaticContact NE2-CD2 3.88Å; H129-H131 AromaticContact NE2-CE1 3.82Å; H129-H131 AromaticContact NE2-NE2 2.97Å; H129-H131 PolarHBondContact NE2-NE2 2.93Å; H131-G133 PolarHBondContact O-N 2.83Å; H131-M134 HydrophobicContact CB-CB 4.14Å; H131-M134 HydrophobicContact CB-SD 4.43Å; H131-M134 PolarHBondContact O-N 3.06Å; H131-L202 HydrophobicContact CB-CD2 3.86Å; H131-N208 PolarHBondContact N-OD1 3.04Å; H131-N208 PolarHBondContact O-ND2 3.41Å; H131-N208 PolarHBondContact O-OD1 3.19Å; H131-H210 AromaticContact CD2-CE1 3.84Å; H131-H210 AromaticContact CD2-NE2 3.33Å; H131-H210 PolarHBondContact CD2-NE2 3.32Å; H131-H210 VanDerWaalsContact CD2-NE2 3.33Å; H131-H210 AromaticContact NE2-CE1 3.75Å; H131-H210 AromaticContact NE2-NE2 3.06Å; H131-H210 PolarHBondContact NE2-NE2 3.42Å; H131-Y229 AromaticContact CE1-CZ 3.77Å; H131-Y229 PolarHBondContact CE1-OH 3.49Å; H131-Y229 AromaticContact ND1-CZ 3.52Å; H131-Y229 PolarHBondContact ND1-OH 3.16Å
132P92.7Very high95.9Very high28 Ų2824 Ų2418%0.18216%0.158CC..THydrogen-bonded Turntrans-57111.7-164.8-26.435.1000113.5M134 E237P132-M134 PolarHBondContact O-N 2.91Å; P132-E237 WeakPolarHBondContact CG-O 3.31Å
133G90.5Very high96Very high49 Ų4921.3 Ų21.351%0.50515%0.146SC..THydrogen-bonded Turntrans74.97.5177.900000114.9H131H131-G133 PolarHBondContact O-N 2.83Å
134M93.1Very high96.3Very high0 Ų018.8 Ų18.80%012%0.115CC..  trans-103.9146.8-171.7-59.1155.461.800111.7H131 P132 F203 P204 L225 P227 Y229 R236H131-M134 HydrophobicContact CB-CB 4.14Å; H131-M134 HydrophobicContact CB-SD 4.43Å; H131-M134 PolarHBondContact O-N 3.06Å; P132-M134 PolarHBondContact O-N 2.91Å; M134-F203 CarbonylContact O-C 3.58Å; M134-P204 VanDerWaalsContact O-CA 3.28Å; M134-P204 WeakPolarHBondContact O-CA 3.48Å; M134-L225 HydrophobicContact CE-CB 3.67Å; M134-L225 HydrophobicContact CE-CD1 3.74Å; M134-L225 HydrophobicContact CE-CD2 4.46Å; M134-L225 HydrophobicContact CE-CG 4.16Å; M134-P227 VanDerWaalsContact CE-O 3.3Å; M134-P227 WeakPolarHBondContact CE-O 3.49Å; M134-P227 HydrophobicContact CG-CG 4.27Å; M134-P227 WeakPolarHBondContact CG-O 3.16Å; M134-Y229 HydrophobicContact CE-CD1 3.73Å; M134-Y229 HydrophobicContact CE-CD2 4.02Å; M134-Y229 HydrophobicContact CE-CE1 3.81Å; M134-Y229 HydrophobicContact CE-CE2 4.08Å; M134-Y229 HydrophobicContact CE-CG 3.88Å; M134-Y229 HydrophobicContact SD-CD1 3.55Å; M134-Y229 VanDerWaalsContact SD-CD1 3.55Å; M134-Y229 HydrophobicContact SD-CE1 3.64Å; M134-Y229 HydrophobicContact SD-CG 4.24Å; M134-R236 HydrophobicContact SD-CB 4.43Å
135Y93.7Very high96.4Very high65 Ų6518.2 Ų18.226%0.25511%0.111SC..EExtended strand (participates in β ladder)trans-86.3150.7160.4-66.6-95.9000109.2L202 F203 P204 L225 A226Y135-L202 WeakPolarHBondContact CA-O 3.23Å; Y135-F203 HydrophobicContact CD1-CD1 4.09Å; Y135-F203 AromaticContact CE1-CD1 3.65Å; Y135-F203 HydrophobicContact CE1-CD1 3.65Å; Y135-F203 HydrophobicContact CE1-CE1 4.11Å; Y135-P204 HydrophobicContact CD1-CG 4.37Å; Y135-P204 HydrophobicContact CD2-CG 3.74Å; Y135-P204 HydrophobicContact CE1-CG 4.16Å; Y135-P204 HydrophobicContact CE2-CG 3.47Å; Y135-P204 VanDerWaalsContact CE2-CG 3.47Å; Y135-P204 HydrophobicContact CG-CG 4.18Å; Y135-L225 WeakPolarHBondContact O-CA 3.33Å; Y135-A226 PolarHBondContact N-O 2.82Å; Y135-A226 PolarHBondContact O-N 3.34Å
136G94.7Very high96.5Very high3 Ų319.6 Ų19.63%0.03112%0.116CC..EExtended strand (participates in β ladder)trans-135.6146.217600000111.9L201 L202 I224G136-L201 CarbonylContact O-C 3.59Å; G136-L201 WeakPolarHBondContact O-CA 3.46Å; G136-L202 PolarHBondContact N-O 2.98Å; G136-L202 PolarHBondContact O-N 3.38Å; G136-I224 CarbonylContact C-O 3.59Å; G136-I224 VanDerWaalsContact CA-O 3.25Å; G136-I224 WeakPolarHBondContact CA-O 3.18Å
137I97.4Very high96.4Very high0 Ų019.7 Ų19.70%012%0.118CC..EExtended strand (participates in β ladder)trans-125.8112.7170.3-57.6173.9000108.4F16 L70 L73 L74 V77 P199 C200 L201 D223 I224F16-I137 HydrophobicContact CE2-CD1 4.31Å; F16-I137 HydrophobicContact CZ-CD1 3.77Å; F16-I137 HydrophobicContact CZ-CG1 4.24Å; L70-I137 HydrophobicContact CD1-CD1 4.24Å; L73-I137 HydrophobicContact CD2-CD1 3.53Å; L73-I137 HydrophobicContact CG-CD1 4.01Å; L74-I137 HydrophobicContact CD2-CD1 4.05Å; L74-I137 HydrophobicContact CD2-CG1 4.29Å; L74-I137 HydrophobicContact CD2-CG2 4.01Å; V77-I137 HydrophobicContact CG1-CG2 4.06Å; I137-P199 HydrophobicContact CG2-CB 3.73Å; I137-C200 WeakPolarHBondContact CA-O 3.33Å; I137-L201 HydrophobicContact CG1-CD1 3.91Å; I137-D223 WeakPolarHBondContact O-CA 3.45Å; I137-I224 HydrophobicContact CB-CB 4.23Å; I137-I224 PolarHBondContact N-O 3Å; I137-I224 PolarHBondContact O-N 3.45Å
138L98Very high96.4Very high12 Ų1222.5 Ų22.56%0.06313%0.128CC..EExtended strand (participates in β ladder)trans-103.4125.8176.1-176.6154.3000110.6V140 V145 L193 P199 C200 I212 F221 L222L138-V140 HydrophobicContact CD2-CG2 4.09Å; L138-V145 HydrophobicContact CD2-CG2 4.41Å; L138-L193 HydrophobicContact CD2-CD1 3.82Å; L138-P199 CarbonylContact O-C 3.47Å; L138-P199 VanDerWaalsContact O-CA 3.29Å; L138-P199 WeakPolarHBondContact O-CA 3.39Å; L138-C200 HydrophobicContact CB-CB 4.33Å; L138-C200 PolarHBondContact N-O 3.29Å; L138-C200 PolarHBondContact O-N 2.89Å; L138-I212 HydrophobicContact CD1-CD1 3.5Å; L138-I212 VanDerWaalsContact CD1-CD1 3.5Å; L138-I212 HydrophobicContact CD1-CG1 4.35Å; L138-F221 HydrophobicContact CD1-CD1 4.47Å; L138-F221 HydrophobicContact CD1-CD2 3.73Å; L138-F221 HydrophobicContact CD1-CE1 4.44Å; L138-F221 HydrophobicContact CD1-CE2 3.71Å; L138-F221 HydrophobicContact CD1-CG 4.12Å; L138-F221 HydrophobicContact CD1-CZ 4.09Å; L138-F221 HydrophobicContact CD2-CB 4.27Å; L138-F221 HydrophobicContact CD2-CD2 4.5Å; L138-F221 HydrophobicContact CD2-CG 4.42Å; L138-F221 HydrophobicContact CG-CB 4.27Å; L138-F221 HydrophobicContact CG-CD2 3.65Å; L138-F221 HydrophobicContact CG-CE2 4.11Å; L138-F221 HydrophobicContact CG-CG 4.03Å; L138-L222 WeakPolarHBondContact CA-O 3.2Å
139K98.3Very high96.3Very high5 Ų523.3 Ų23.32%0.02213%0.134CC..EExtended strand (participates in β ladder)trans-129.2115.8172.1176.656.217164.70111.6V77 L141 P195 P199 F221 L222V77-K139 HydrophobicContact CG1-CB 3.53Å; V77-K139 HydrophobicContact CG1-CG 3.98Å; K139-L141 PolarHBondContact O-N 3.44Å; K139-P195 VanDerWaalsContact CE-O 3.28Å; K139-P195 WeakPolarHBondContact CE-O 3.33Å; K139-P195 PolarHBondContact NZ-O 2.93Å; K139-P199 HydrophobicContact CB-CB 4.35Å; K139-P199 HydrophobicContact CD-CG 4.25Å; K139-F221 CarbonylContact O-C 3.58Å; K139-F221 WeakPolarHBondContact O-CA 3.27Å; K139-F221 WeakPolarHBondContact O-CB 3.12Å; K139-L222 HydrophobicContact CB-CB 4.47Å; K139-L222 PolarHBondContact N-O 2.89Å; K139-L222 PolarHBondContact O-N 3.44Å
140V98.3Very high96.3Very high2 Ų223 Ų231%0.01213%0.133CC..EExtended strand (participates in β ladder)trans-64.5127.8171.8-175.10000110.1L138 T142 V145 L193 P195 F221L138-V140 HydrophobicContact CD2-CG2 4.09Å; V140-T142 WeakPolarHBondContact CG1-O 3.36Å; V140-V145 HydrophobicContact CG2-CG2 3.65Å; V140-L193 HydrophobicContact CG2-CB 3.76Å; V140-P195 HydrophobicContact CG1-CG 4.11Å; V140-P195 WeakPolarHBondContact O-CA 3.26Å; V140-F221 HydrophobicContact CG2-CB 4.46Å
141L97.5Very high96.3Very high6 Ų623.4 Ų23.43%0.03114%0.135CC..EExtended strand (participates in β ladder)trans-102.2-38.2178.6-65.2169.9000111.4L80 P82 V85 I117 K139 V220 L222L80-L141 HydrophobicContact CB-CD2 4.24Å; P82-L141 HydrophobicContact CG-CB 4.32Å; P82-L141 WeakPolarHBondContact CG-O 3.4Å; V85-L141 HydrophobicContact CG2-CD1 3.7Å; I117-L141 HydrophobicContact CD1-CD1 4.42Å; I117-L141 HydrophobicContact CG1-CD1 4.36Å; I117-L141 HydrophobicContact CG2-CD1 4.48Å; K139-L141 PolarHBondContact O-N 3.44Å; L141-V220 HydrophobicContact CB-CB 4.5Å; L141-V220 HydrophobicContact CB-CG1 4.33Å; L141-V220 HydrophobicContact CD1-CG1 4.26Å; L141-V220 PolarHBondContact N-O 3.26Å; L141-L222 HydrophobicContact CD1-CB 4.17Å; L141-L222 HydrophobicContact CG-CB 4.45Å
142T96Very high96.3Very high36 Ų3627.4 Ų27.422%0.22115%0.15CC..EExtended strand (participates in β ladder)trans-143.1147178.7-54.70000109.9P82 I92 V140 A219 V220P82-T142 WeakPolarHBondContact CG-OG1 3.34Å; I92-T142 HydrophobicContact CD1-CG2 3.91Å; V140-T142 WeakPolarHBondContact CG1-O 3.36Å; T142-A219 WeakPolarHBondContact O-CA 3.44Å; T142-V220 PolarHBondContact N-O 3.43Å; T142-V220 PolarHBondContact O-N 2.93Å
143G96.3Very high96.4Very high32 Ų3230.3 Ų30.333%0.3316%0.164SC..SBendtrans74.5-150.6178.400000112.8P195G143-P195 VanDerWaalsContact O-CD 3.26Å; G143-P195 WeakPolarHBondContact O-CD 3.01Å
144S98.1Very high96.4Very high30 Ų3032.1 Ų32.121%0.2116%0.158CC..  trans-145.1150.2173.8-670000109.9L193 S194 P214 V215 A219S144-L193 CarbonylContact C-O 3.58Å; S144-L193 WeakPolarHBondContact CA-O 3.33Å; S144-L193 WeakPolarHBondContact CB-O 3.09Å; S144-S194 WeakPolarHBondContact OG-CB 3.49Å; S144-P214 CarbonylContact O-C 3.54Å; S144-P214 WeakPolarHBondContact O-CA 3.46Å; S144-V215 PolarHBondContact O-N 2.86Å; S144-A219 WeakPolarHBondContact O-CB 3.43Å
145V98.5Very high96.3Very high0 Ų036 Ų360%018%0.178CC..EExtended strand (participates in β ladder)trans-126.3143174.8-58.10000110.4L138 V140 V192 L193 I212 T213 A219 F221L138-V145 HydrophobicContact CD2-CG2 4.41Å; V140-V145 HydrophobicContact CG2-CG2 3.65Å; V145-V192 CarbonylContact O-C 3.58Å; V145-V192 WeakPolarHBondContact O-CA 3.38Å; V145-L193 HydrophobicContact CG2-CB 4.08Å; V145-L193 PolarHBondContact N-O 2.92Å; V145-L193 PolarHBondContact O-N 3.48Å; V145-I212 HydrophobicContact CB-CG2 3.8Å; V145-I212 HydrophobicContact CG1-CG2 4Å; V145-I212 HydrophobicContact CG2-CG2 4.1Å; V145-T213 CarbonylContact C-O 3.55Å; V145-T213 VanDerWaalsContact CA-O 3.25Å; V145-T213 WeakPolarHBondContact CA-O 3.5Å; V145-A219 HydrophobicContact CG1-CB 3.43Å; V145-A219 VanDerWaalsContact CG1-CB 3.43Å; V145-F221 HydrophobicContact CG1-CD1 4.32Å
146R98.4Very high96Very high110 Ų11033 Ų3342%0.41517%0.167SC..EExtended strand (participates in β ladder)trans-89.7125.9162.9-176.4178.7-63.1146.53.3108R148 T191 V192 I212 T213 V215R146-R148 HydrophobicContact CG-CG 4.3Å; R146-T191 CarbonylContact C-O 3.56Å; R146-T191 WeakPolarHBondContact CA-O 3.37Å; R146-V192 HydrophobicContact CB-CG2 4.46Å; R146-I212 WeakPolarHBondContact O-CA 3.44Å; R146-T213 PolarHBondContact N-O 2.65Å; R146-T213 PolarHBondContact O-N 2.77Å; R146-V215 HydrophobicContact CB-CG2 3.83Å
147C97.8Very high95.6Very high10 Ų1041.2 Ų41.27%0.06820%0.202CC..EExtended strand (participates in β ladder)trans-107.4117.7171.1-175.70000108.5T191 L193 E211C147-T191 PolarHBondContact N-O 3.07Å; C147-T191 PolarHBondContact O-N 3.08Å; C147-L193 HydrophobicContact CB-CD1 4.45Å; C147-E211 WeakPolarHBondContact CA-O 3.45Å
148R97.4Very high94.7Very high62 Ų6243.5 Ų43.523%0.23422%0.218CC..EExtended strand (participates in β ladder)trans-104.6123.2169.9-54.3-17657.6-133.6-2.9106.9R146 F150 D190 H210 E211 E243R146-R148 HydrophobicContact CG-CG 4.3Å; R148-F150 HydrophobicContact CB-CE2 4.37Å; R148-D190 WeakPolarHBondContact CG-OD1 3.4Å; R148-D190 WeakPolarHBondContact CG-OD2 3.28Å; R148-D190 IonicContact NE-OD1 3.26Å; R148-D190 IonicContact NE-OD2 3.01Å; R148-H210 CarbonylContact O-C 3.5Å; R148-H210 WeakPolarHBondContact O-CA 3.45Å; R148-H210 WeakPolarHBondContact O-CB 3.34Å; R148-E211 HydrophobicContact CB-CB 4.49Å; R148-E211 PolarHBondContact N-O 2.98Å; R148-E211 IonicContact NH1-OE1 3.26Å; R148-E211 PolarHBondContact O-N 3.24Å; R148-E243 IonicContact CZ-OE1 2.85Å; R148-E243 VanDerWaalsContact CZ-OE1 3.26Å; R148-E243 IonicContact NH1-OE1 2.89Å; R148-E243 PolarHBondContact NH1-OE1 3.39Å; R148-E243 IonicContact NH2-OE1 2.73Å; R148-E243 PolarHBondContact NH2-OE1 3.31Å; R148-E243 IonicContact NH2-OE2 3.61Å
149S97.2Very high93.7Very high23 Ų2345.6 Ų45.616%0.16123%0.231CC..EExtended strand (participates in β ladder)trans-129.8156.6-176.367.20000112.8H188 L209S149-H188 PolarHBondContact O-CD2 3.28Å; S149-H188 PolarHBondContact O-N 3.46Å; S149-H188 WeakPolarHBondContact OG-CB 3.25Å; S149-L209 CarbonylContact C-O 3.51Å; S149-L209 WeakPolarHBondContact CA-O 3.26Å
150F97.2Very high92.6Very high4 Ų450.3 Ų50.32%0.01826%0.26CS..EExtended strand (participates in β ladder)trans-141.3147.7-175.2-49.8-100.2000109.9L128 R148 A185 R186 P187 G207 N208 L209 E243 V291L128-F150 HydrophobicContact CD1-CD2 3.64Å; L128-F150 HydrophobicContact CD1-CE2 3.73Å; L128-F150 HydrophobicContact CD2-CD2 4.45Å; L128-F150 HydrophobicContact CD2-CE2 4.26Å; R148-F150 HydrophobicContact CB-CE2 4.37Å; F150-A185 HydrophobicContact CB-CB 4.1Å; F150-R186 CarbonylContact C-O 3.59Å; F150-R186 VanDerWaalsContact CA-O 3.23Å; F150-R186 WeakPolarHBondContact CA-O 3.29Å; F150-P187 HydrophobicContact CD1-CB 3.79Å; F150-P187 HydrophobicContact CE1-CB 3.83Å; F150-G207 CarbonylContact O-C 3.44Å; F150-G207 VanDerWaalsContact O-C 3.28Å; F150-G207 WeakPolarHBondContact O-CA 3.38Å; F150-N208 PolarHBondContact O-N 2.92Å; F150-L209 HydrophobicContact CB-CB 4Å; F150-L209 HydrophobicContact CB-CD1 4.47Å; F150-L209 PolarHBondContact N-O 2.93Å; F150-L209 PolarHBondContact O-N 3.12Å; F150-E243 HydrophobicContact CZ-CG 4.39Å; F150-V291 HydrophobicContact CD1-CG2 3.56Å; F150-V291 HydrophobicContact CE1-CG2 3.72Å
151T96.4Very high91.6Very high11 Ų1152 Ų527%0.06727%0.27CS..EExtended strand (participates in β ladder)trans-104.5122167.8-64.40000108.7L153 A185 R186 H188 I205 E206 G207T151-L153 HydrophobicContact CG2-CD2 4.48Å; T151-L153 PolarHBondContact O-N 3.11Å; T151-A185 CarbonylContact O-C 3.54Å; T151-A185 VanDerWaalsContact O-CA 3.27Å; T151-A185 WeakPolarHBondContact O-CA 3.28Å; T151-R186 PolarHBondContact N-O 3.09Å; T151-R186 PolarHBondContact O-N 3.19Å; T151-R186 PolarHBondContact OG1-NH2 2.93Å; T151-H188 PolarHBondContact OG1-NE2 2.98Å; T151-I205 HydrophobicContact CG2-CG2 4.47Å; T151-E206 WeakPolarHBondContact OG1-CA 3.21Å; T151-G207 PolarHBondContact OG1-N 2.94Å
152R95.1Very high90.4Very high87 Ų8751.8 Ų51.833%0.32827%0.269SS..EExtended strand (participates in β ladder)trans-62.2123.1171.1-179.3173.3-69.21592.1109.2I183 L209 Y241R152-I183 HydrophobicContact CG-CG2 3.7Å; R152-L209 HydrophobicContact CB-CD1 3.89Å; R152-Y241 VanDerWaalsContact NH2-CE1 3.27Å; R152-Y241 PolarHBondContact NH2-OH 3.22Å
153L93.9Very high89.3Confident90 Ų9051.3 Ų51.347%0.47127%0.271SS..EExtended strand (participates in β ladder)trans-94.6-53.5177-59.8-177.5000110.9T151 I184 R186 V290T151-L153 HydrophobicContact CG2-CD2 4.48Å; T151-L153 PolarHBondContact O-N 3.11Å; L153-I184 HydrophobicContact CB-CG2 4.41Å; L153-I184 WeakPolarHBondContact CB-O 3.24Å; L153-I184 HydrophobicContact CD1-CG2 4.17Å; L153-I184 PolarHBondContact N-O 3.02Å; L153-R186 HydrophobicContact CD1-CB 4.11Å; L153-R186 HydrophobicContact CD2-CB 4.07Å; L153-R186 HydrophobicContact CG-CB 4.17Å; L153-V290 HydrophobicContact CD1-CG1 3.89Å
154K92.1Very high87.6Confident86 Ų8656.3 Ų56.337%0.37429%0.29SS..EExtended strand (participates in β ladder)trans-161.3154.417764.4178.1-173.3169.80112.2D161 I184K154-D161 WeakPolarHBondContact CE-O 3.43Å; K154-D161 PolarHBondContact NZ-O 3.04Å; K154-D161 IonicContact NZ-OD1 3.08Å; K154-D161 PolarHBondContact NZ-OD1 2.56Å; K154-I184 HydrophobicContact CD-CD1 4.3Å; K154-I184 HydrophobicContact CG-CB 4.19Å; K154-I184 HydrophobicContact CG-CD1 3.96Å; K154-I184 PolarHBondContact N-O 3.3Å; K154-I184 PolarHBondContact O-N 2.7Å
155N91Very high85.8Confident81 Ų8156.3 Ų56.343%0.43329%0.285SS..EExtended strand (participates in β ladder)trans-85.6139.2165.4-62.2-6000108.8
156V87.6Confident84.1Confident3 Ų364.9 Ų64.92%0.01832%0.323CS..  trans-75.2124.5176.5174.10000108.8D161 L162 L179 T180 L182 I184V156-D161 HydrophobicContact CB-CB 4.5Å; V156-D161 HydrophobicContact CG1-CB 4.18Å; V156-D161 HydrophobicContact CG2-CB 4.45Å; V156-L162 HydrophobicContact CB-CD1 4.16Å; V156-L162 HydrophobicContact CG1-CD1 3.37Å; V156-L162 HydrophobicContact CG2-CD1 3.62Å; V156-L179 HydrophobicContact CG1-CD1 4.48Å; V156-L179 HydrophobicContact CG1-CD2 4.43Å; V156-L179 HydrophobicContact CG1-CG 3.93Å; V156-L179 WeakPolarHBondContact CG1-O 3.45Å; V156-T180 WeakPolarHBondContact O-CA 3.32Å; V156-L182 HydrophobicContact CB-CB 3.93Å; V156-L182 WeakPolarHBondContact CB-O 3.22Å; V156-L182 HydrophobicContact CG2-CB 3.68Å; V156-L182 WeakPolarHBondContact CG2-O 3.41Å; V156-L182 PolarHBondContact N-O 3.49Å; V156-I184 HydrophobicContact CG2-CD1 3.82Å; V156-I184 HydrophobicContact CG2-CG1 3.95Å
157K84.9Confident82.3Confident175 Ų17560.2 Ų60.276%0.76131%0.307SS*.  trans-108-24.5175.7-61.8-175.7-179.8-178.40112.3D161K157-D161 PolarHBondContact N-OD2 3.09Å
158S79.3Confident80.5Confident48 Ų4862.4 Ų62.434%0.33632%0.322SS..SBendtrans-153163.4-177.7169.90000110.6T160 D161S158-T160 WeakPolarHBondContact CB-OG1 3.4Å; S158-T160 PolarHBondContact O-N 2.65Å; S158-T160 VanDerWaalsContact O-N 3.13Å; S158-T160 PolarHBondContact OG-N 3.47Å; S158-T160 PolarHBondContact OG-OG1 2.86Å; S158-T160 VanDerWaalsContact OG-OG1 3.1Å; S158-D161 PolarHBondContact N-OD2 2.89Å; S158-D161 WeakPolarHBondContact O-CB 3.47Å; S158-D161 PolarHBondContact O-N 3.05Å
159T75.7Confident78.6Confident56 Ų5665.4 Ų65.434%0.34434%0.342SS..G310 helixtrans-53.9-29.7170.953.30000112.9D161 L162 P167 L179T159-D161 PolarHBondContact O-N 3.5Å; T159-L162 PolarHBondContact O-N 2.94Å; T159-P167 HydrophobicContact CG2-CG 4.42Å; T159-L179 HydrophobicContact CG2-CD2 3.54Å
160T76.5Confident76.6Confident104 Ų10468.2 Ų68.264%0.63836%0.362SS*.G310 helixtrans-60.5-25.6175.151.80000113.1S158 L162 G163S158-T160 WeakPolarHBondContact CB-OG1 3.4Å; S158-T160 PolarHBondContact O-N 2.65Å; S158-T160 VanDerWaalsContact O-N 3.13Å; S158-T160 PolarHBondContact OG-N 3.47Å; S158-T160 PolarHBondContact OG-OG1 2.86Å; S158-T160 VanDerWaalsContact OG-OG1 3.1Å; T160-L162 PolarHBondContact O-N 3.01Å; T160-G163 PolarHBondContact O-N 3.19Å
161D76Confident74.6Confident38 Ų3870 Ų7020%0.20337%0.373CS..G310 helixtrans-69.7-22.8176.4-76.6-51.1000113.4K154 V156 K157 S158 T159K154-D161 WeakPolarHBondContact CE-O 3.43Å; K154-D161 PolarHBondContact NZ-O 3.04Å; K154-D161 IonicContact NZ-OD1 3.08Å; K154-D161 PolarHBondContact NZ-OD1 2.56Å; V156-D161 HydrophobicContact CB-CB 4.5Å; V156-D161 HydrophobicContact CG1-CB 4.18Å; V156-D161 HydrophobicContact CG2-CB 4.45Å; K157-D161 PolarHBondContact N-OD2 3.09Å; S158-D161 PolarHBondContact N-OD2 2.89Å; S158-D161 WeakPolarHBondContact O-CB 3.47Å; S158-D161 PolarHBondContact O-N 3.05Å; T159-D161 PolarHBondContact O-N 3.5Å
162L73.7Confident73.1Confident2 Ų270.3 Ų70.31%0.0137%0.373CS..G310 helixtrans-88.310.9175.3-77.373.9000111.8V156 T159 T160 Y165 L179 I246 M249 Y292V156-L162 HydrophobicContact CB-CD1 4.16Å; V156-L162 HydrophobicContact CG1-CD1 3.37Å; V156-L162 HydrophobicContact CG2-CD1 3.62Å; T159-L162 PolarHBondContact O-N 2.94Å; T160-L162 PolarHBondContact O-N 3.01Å; L162-Y165 HydrophobicContact CB-CD1 3.99Å; L162-Y165 HydrophobicContact CD2-CD1 3.48Å; L162-Y165 VanDerWaalsContact CD2-CD1 3.48Å; L162-Y165 HydrophobicContact CD2-CE1 3.81Å; L162-Y165 HydrophobicContact CG-CD1 4.36Å; L162-Y165 WeakPolarHBondContact O-CB 3.45Å; L162-L179 HydrophobicContact CD1-CD1 4.2Å; L162-L179 HydrophobicContact CD2-CD1 4.07Å; L162-I246 HydrophobicContact CD2-CD1 4.06Å; L162-M249 HydrophobicContact CB-CE 3.91Å; L162-M249 HydrophobicContact CD2-CE 4.26Å; L162-M249 HydrophobicContact CD2-SD 3.98Å; L162-M249 HydrophobicContact CG-CE 4.24Å; L162-M249 WeakPolarHBondContact O-CE 3.38Å; L162-Y292 HydrophobicContact CG-CE1 4.46Å
163G71.5Confident71.3Confident26 Ų2672.8 Ų72.827%0.26839%0.393SS..THydrogen-bonded Turntrans72.5-137.9-178.500000111.9T160 Y165T160-G163 PolarHBondContact O-N 3.19Å; G163-Y165 PolarHBondContact O-N 3.29Å; G163-Y165 VanDerWaalsContact O-N 3.09Å
164N60.5Low69.8Low137 Ų13776.5 Ų76.573%0.73341%0.414SS*.THydrogen-bonded Turntrans-70.71.1178.7-78.80.7000114.2K166 Q257N164-K166 PolarHBondContact O-N 3.08Å; N164-Q257 PolarHBondContact ND2-NE2 3.36Å
165Y61Low68.5Low29 Ų2973.8 Ų73.811%0.11441%0.405CS..  trans-81117-177.5-179.9-109.6000111.1L162 G163 P167 I246 P247 Q248 M249L162-Y165 HydrophobicContact CB-CD1 3.99Å; L162-Y165 HydrophobicContact CD2-CD1 3.48Å; L162-Y165 VanDerWaalsContact CD2-CD1 3.48Å; L162-Y165 HydrophobicContact CD2-CE1 3.81Å; L162-Y165 HydrophobicContact CG-CD1 4.36Å; L162-Y165 WeakPolarHBondContact O-CB 3.45Å; G163-Y165 PolarHBondContact O-N 3.29Å; G163-Y165 VanDerWaalsContact O-N 3.09Å; Y165-P167 HydrophobicContact CD1-CB 4.24Å; Y165-P167 HydrophobicContact CD1-CG 4.1Å; Y165-P167 HydrophobicContact CE1-CB 3.42Å; Y165-P167 VanDerWaalsContact CE1-CB 3.42Å; Y165-P167 HydrophobicContact CE1-CG 3.72Å; Y165-P167 VanDerWaalsContact O-CD 3.28Å; Y165-P167 WeakPolarHBondContact O-CD 3.3Å; Y165-I246 HydrophobicContact CE1-CG2 3.64Å; Y165-I246 WeakPolarHBondContact OH-CG2 3.13Å; Y165-P247 PolarHBondContact OH-O 3.27Å; Y165-Q248 HydrophobicContact CE2-CB 4.18Å; Y165-M249 HydrophobicContact CD1-CE 3.84Å; Y165-M249 HydrophobicContact CD1-CG 3.92Å; Y165-M249 HydrophobicContact CD1-SD 3.47Å; Y165-M249 WeakPolarHBondContact CD1-SD 3.36Å; Y165-M249 HydrophobicContact CD2-CG 3.66Å; Y165-M249 HydrophobicContact CD2-SD 4.32Å; Y165-M249 HydrophobicContact CE1-CG 4.01Å; Y165-M249 HydrophobicContact CE1-SD 3.7Å; Y165-M249 HydrophobicContact CE2-CG 3.82Å; Y165-M249 HydrophobicContact CG-CE 3.8Å; Y165-M249 HydrophobicContact CG-CG 3.73Å; Y165-M249 HydrophobicContact CG-SD 3.79Å
166K62.6Low67.9Low181 Ų18180.4 Ų80.479%0.78743%0.43SS*.  trans-10194.5167.2-70-175179.1-177.50107.7N164 S168N164-K166 PolarHBondContact O-N 3.08Å; K166-S168 PolarHBondContact O-N 2.82Å
167P60.5Low67.5Low12 Ų1281.9 Ų81.98%0.07844%0.436CS..  trans-57.9135174.315.6-20.3000109.1T159 Y165 L169 F172 L179T159-P167 HydrophobicContact CG2-CG 4.42Å; Y165-P167 HydrophobicContact CD1-CB 4.24Å; Y165-P167 HydrophobicContact CD1-CG 4.1Å; Y165-P167 HydrophobicContact CE1-CB 3.42Å; Y165-P167 VanDerWaalsContact CE1-CB 3.42Å; Y165-P167 HydrophobicContact CE1-CG 3.72Å; Y165-P167 VanDerWaalsContact O-CD 3.28Å; Y165-P167 WeakPolarHBondContact O-CD 3.3Å; P167-L169 PolarHBondContact O-N 3.46Å; P167-L169 VanDerWaalsContact O-N 3.12Å; P167-F172 HydrophobicContact CB-CE2 3.77Å; P167-F172 HydrophobicContact CB-CZ 4.05Å; P167-F172 HydrophobicContact CG-CE2 4.12Å; P167-F172 HydrophobicContact CG-CZ 4.43Å; P167-L179 HydrophobicContact CG-CD1 3.88Å
168S60.1Low67.3Low56 Ų5680.1 Ų80.139%0.39243%0.43SS..  trans-63.5114.5160.3-173.70000106.9K166 S170 V171K166-S168 PolarHBondContact O-N 2.82Å; S168-S170 PolarHBondContact O-N 2.85Å; S168-S170 PolarHBondContact OG-OG 2.84Å; S168-V171 VanDerWaalsContact O-CB 3.27Å; S168-V171 WeakPolarHBondContact O-CB 3.34Å; S168-V171 VanDerWaalsContact O-CG2 3.27Å; S168-V171 WeakPolarHBondContact O-CG2 3.31Å; S168-V171 PolarHBondContact O-N 3.38Å
169L57Low67.4Low124 Ų12478.8 Ų78.865%0.64942%0.419SS*.G310 helixtrans-57.3-21.6-178.3-68.1174.3000112.6P167 V171 F172P167-L169 PolarHBondContact O-N 3.46Å; P167-L169 VanDerWaalsContact O-N 3.12Å; L169-V171 PolarHBondContact O-N 3.2Å; L169-V171 VanDerWaalsContact O-N 3.09Å; L169-F172 HydrophobicContact CD2-CD2 4.32Å; L169-F172 HydrophobicContact CD2-CE2 4.47Å; L169-F172 PolarHBondContact O-N 3.01Å
170S55.3Low67.8Low83 Ų8379.8 Ų79.858%0.5843%0.425SS*.G310 helixtrans-57.6-18.9172.266.30000114S168 F172S168-S170 PolarHBondContact O-N 2.85Å; S168-S170 PolarHBondContact OG-OG 2.84Å; S170-F172 VanDerWaalsContact C-N 3.25Å; S170-F172 PolarHBondContact O-N 2.92Å
171V56.7Low68.3Low40 Ų4078.1 Ų78.124%0.24241%0.412CS..G310 helixtrans-70.6-25.1177.8173.40000111.9S168 L169 P247S168-V171 VanDerWaalsContact O-CB 3.27Å; S168-V171 WeakPolarHBondContact O-CB 3.34Å; S168-V171 VanDerWaalsContact O-CG2 3.27Å; S168-V171 WeakPolarHBondContact O-CG2 3.31Å; S168-V171 PolarHBondContact O-N 3.38Å; L169-V171 PolarHBondContact O-N 3.2Å; L169-V171 VanDerWaalsContact O-N 3.09Å; V171-P247 HydrophobicContact CG1-CB 3.86Å; V171-P247 VanDerWaalsContact CG1-CD 3.45Å; V171-P247 HydrophobicContact CG1-CG 3.46Å; V171-P247 VanDerWaalsContact CG1-CG 3.46Å; V171-P247 HydrophobicContact CG2-CB 4.36Å
172F64.4Low69.1Low18 Ų1876.3 Ų76.38%0.07940%0.403CS..G310 helixtrans-96.1-3-178.7-52.7-64.3000113.1P167 L169 S170 D174 S175 W177 L179P167-F172 HydrophobicContact CB-CE2 3.77Å; P167-F172 HydrophobicContact CB-CZ 4.05Å; P167-F172 HydrophobicContact CG-CE2 4.12Å; P167-F172 HydrophobicContact CG-CZ 4.43Å; L169-F172 HydrophobicContact CD2-CD2 4.32Å; L169-F172 HydrophobicContact CD2-CE2 4.47Å; L169-F172 PolarHBondContact O-N 3.01Å; S170-F172 VanDerWaalsContact C-N 3.25Å; S170-F172 PolarHBondContact O-N 2.92Å; F172-D174 VanDerWaalsContact C-N 3.31Å; F172-D174 PolarHBondContact O-N 2.86Å; F172-S175 VanDerWaalsContact CA-OG 3.23Å; F172-S175 WeakPolarHBondContact CA-OG 3.31Å; F172-S175 WeakPolarHBondContact CB-OG 3.08Å; F172-S175 WeakPolarHBondContact O-CA 3.25Å; F172-S175 WeakPolarHBondContact O-CB 3.31Å; F172-S175 PolarHBondContact O-N 3Å; F172-S175 VanDerWaalsContact O-O 3.1Å; F172-S175 PolarHBondContact O-OG 2.99Å; F172-W177 AromaticContact CD1-CE3 3.87Å; F172-W177 HydrophobicContact CD1-CE3 3.87Å; F172-W177 AromaticContact CD1-CH2 3.44Å; F172-W177 HydrophobicContact CD1-CH2 3.44Å; F172-W177 VanDerWaalsContact CD1-CH2 3.44Å; F172-W177 HydrophobicContact CD1-CZ2 4.27Å; F172-W177 AromaticContact CD1-CZ3 3.2Å; F172-W177 HydrophobicContact CD1-CZ3 3.2Å; F172-W177 HydrophobicContact CE1-CE3 4.17Å; F172-W177 AromaticContact CE1-CH2 3.35Å; F172-W177 HydrophobicContact CE1-CH2 3.35Å; F172-W177 AromaticContact CE1-CZ3 3.12Å; F172-W177 HydrophobicContact CE1-CZ3 3.12Å; F172-W177 HydrophobicContact CG-CZ3 4.4Å; F172-W177 HydrophobicContact CZ-CZ3 4.27Å; F172-L179 HydrophobicContact CE2-CD1 4.04Å; F172-L179 HydrophobicContact CZ-CD1 3.88Å
173D56.3Low70Confident139 Ų13976.6 Ų76.674%0.74340%0.404SS*.THydrogen-bonded Turntrans-63.8-35.5-171.2-155.116000112.4S175D173-S175 VanDerWaalsContact C-N 3.32Å
174D62.7Low71.1Confident169 Ų16975.8 Ų75.890%0.90439%0.393SS*.THydrogen-bonded Turntrans-86.3-3.8173.7-71.2-27.9000113.4F172F172-D174 VanDerWaalsContact C-N 3.31Å; F172-D174 PolarHBondContact O-N 2.86Å
175S65.6Low72.8Confident29 Ų2969.2 Ų69.220%0.20336%0.359CS..SBendtrans-99.2134.4-174.782.30000110.6F172 D173 W177F172-S175 VanDerWaalsContact CA-OG 3.23Å; F172-S175 WeakPolarHBondContact CA-OG 3.31Å; F172-S175 WeakPolarHBondContact CB-OG 3.08Å; F172-S175 WeakPolarHBondContact O-CA 3.25Å; F172-S175 WeakPolarHBondContact O-CB 3.31Å; F172-S175 PolarHBondContact O-N 3Å; F172-S175 VanDerWaalsContact O-O 3.1Å; F172-S175 PolarHBondContact O-OG 2.99Å; D173-S175 VanDerWaalsContact C-N 3.32Å; S175-W177 PolarHBondContact O-N 3.5Å; S175-W177 PolarHBondContact OG-O 2.61Å; S175-W177 VanDerWaalsContact OG-O 3.08Å
176K78Confident74.4Confident220 Ų22071.5 Ų71.596%0.95737%0.367SS*.SBendtrans-71.110.3177.9-64.9-174178-177.10114
177W79.8Confident76.1Confident34 Ų3464.5 Ų64.513%0.12934%0.34CS..  trans-132.7152.3-172.851-92.6000110.6F172 S175 D181 L182 V244 V294F172-W177 AromaticContact CD1-CE3 3.87Å; F172-W177 HydrophobicContact CD1-CE3 3.87Å; F172-W177 AromaticContact CD1-CH2 3.44Å; F172-W177 HydrophobicContact CD1-CH2 3.44Å; F172-W177 VanDerWaalsContact CD1-CH2 3.44Å; F172-W177 HydrophobicContact CD1-CZ2 4.27Å; F172-W177 AromaticContact CD1-CZ3 3.2Å; F172-W177 HydrophobicContact CD1-CZ3 3.2Å; F172-W177 HydrophobicContact CE1-CE3 4.17Å; F172-W177 AromaticContact CE1-CH2 3.35Å; F172-W177 HydrophobicContact CE1-CH2 3.35Å; F172-W177 AromaticContact CE1-CZ3 3.12Å; F172-W177 HydrophobicContact CE1-CZ3 3.12Å; F172-W177 HydrophobicContact CG-CZ3 4.4Å; F172-W177 HydrophobicContact CZ-CZ3 4.27Å; S175-W177 PolarHBondContact O-N 3.5Å; S175-W177 PolarHBondContact OG-O 2.61Å; S175-W177 VanDerWaalsContact OG-O 3.08Å; W177-D181 WeakPolarHBondContact CA-OD2 3.42Å; W177-D181 HydrophobicContact CB-CB 4.24Å; W177-L182 HydrophobicContact CE3-CD2 4.05Å; W177-L182 HydrophobicContact CE3-CG 4.41Å; W177-L182 HydrophobicContact CH2-CD2 4.1Å; W177-L182 HydrophobicContact CZ3-CD1 4.35Å; W177-L182 HydrophobicContact CZ3-CD2 3.51Å; W177-L182 HydrophobicContact CZ3-CG 3.99Å; W177-V244 HydrophobicContact CH2-CB 4.18Å; W177-V244 HydrophobicContact CH2-CG2 4Å; W177-V244 HydrophobicContact CZ2-CB 3.81Å; W177-V244 HydrophobicContact CZ2-CG1 3.88Å; W177-V244 HydrophobicContact CZ2-CG2 4.09Å; W177-V294 HydrophobicContact CB-CG1 4.35Å; W177-V294 HydrophobicContact CD2-CG1 3.89Å; W177-V294 HydrophobicContact CE3-CG1 4Å; W177-V294 HydrophobicContact CG-CG1 4.04Å; W177-V294 HydrophobicContact CG-CG2 4.47Å
178Q81Confident77.7Confident137 Ų13766 Ų6664%0.6435%0.346SS*.  trans-105.3167-179.9-63.5179.85700110.7T180 D181Q178-T180 PolarHBondContact O-N 2.87Å; Q178-T180 VanDerWaalsContact O-N 3.16Å; Q178-D181 PolarHBondContact N-OD2 2.99Å; Q178-D181 WeakPolarHBondContact O-CB 3.39Å; Q178-D181 PolarHBondContact O-N 2.95Å
179L81Confident79.4Confident20 Ų2069.9 Ų69.911%0.10536%0.358CS..G310 helixtrans-54.3-36.4177.3-172.575.7000112.7V156 T159 L162 P167 F172 D181 L182V156-L179 HydrophobicContact CG1-CD1 4.48Å; V156-L179 HydrophobicContact CG1-CD2 4.43Å; V156-L179 HydrophobicContact CG1-CG 3.93Å; V156-L179 WeakPolarHBondContact CG1-O 3.45Å; T159-L179 HydrophobicContact CG2-CD2 3.54Å; L162-L179 HydrophobicContact CD1-CD1 4.2Å; L162-L179 HydrophobicContact CD2-CD1 4.07Å; P167-L179 HydrophobicContact CG-CD1 3.88Å; F172-L179 HydrophobicContact CE2-CD1 4.04Å; F172-L179 HydrophobicContact CZ-CD1 3.88Å; L179-D181 PolarHBondContact O-N 2.87Å; L179-L182 HydrophobicContact CD1-CD1 3.69Å; L179-L182 HydrophobicContact CG-CD1 4.48Å; L179-L182 WeakPolarHBondContact O-CB 3.42Å; L179-L182 WeakPolarHBondContact O-CG 3.3Å; L179-L182 PolarHBondContact O-N 3.16Å
180T83.1Confident81.1Confident77 Ų7767 Ų6747%0.47234%0.343SS..G310 helixtrans-71.1-12.9-18049.90000114.1V156 Q178 L182V156-T180 WeakPolarHBondContact O-CA 3.32Å; Q178-T180 PolarHBondContact O-N 2.87Å; Q178-T180 VanDerWaalsContact O-N 3.16Å; T180-L182 VanDerWaalsContact C-N 3.29Å
181D88.2Confident83.1Confident69 Ų6966.2 Ų66.237%0.36934%0.335SS..G310 helixtrans-85.2-9.9176.6-54.6-27000111.5W177 Q178 L179W177-D181 WeakPolarHBondContact CA-OD2 3.42Å; W177-D181 HydrophobicContact CB-CB 4.24Å; Q178-D181 PolarHBondContact N-OD2 2.99Å; Q178-D181 WeakPolarHBondContact O-CB 3.39Å; Q178-D181 PolarHBondContact O-N 2.95Å; L179-D181 PolarHBondContact O-N 2.87Å
182L91.4Very high85Confident0 Ų067.4 Ų67.40%034%0.342CS..EExtended strand (participates in β ladder)trans-71.8136.2-178.9-68.8174.9000111.8V156 W177 L179 T180 V244 I246 V294V156-L182 HydrophobicContact CB-CB 3.93Å; V156-L182 WeakPolarHBondContact CB-O 3.22Å; V156-L182 HydrophobicContact CG2-CB 3.68Å; V156-L182 WeakPolarHBondContact CG2-O 3.41Å; V156-L182 PolarHBondContact N-O 3.49Å; W177-L182 HydrophobicContact CE3-CD2 4.05Å; W177-L182 HydrophobicContact CE3-CG 4.41Å; W177-L182 HydrophobicContact CH2-CD2 4.1Å; W177-L182 HydrophobicContact CZ3-CD1 4.35Å; W177-L182 HydrophobicContact CZ3-CD2 3.51Å; W177-L182 HydrophobicContact CZ3-CG 3.99Å; L179-L182 HydrophobicContact CD1-CD1 3.69Å; L179-L182 HydrophobicContact CG-CD1 4.48Å; L179-L182 WeakPolarHBondContact O-CB 3.42Å; L179-L182 WeakPolarHBondContact O-CG 3.3Å; L179-L182 PolarHBondContact O-N 3.16Å; T180-L182 VanDerWaalsContact C-N 3.29Å; L182-V244 HydrophobicContact CD2-CG2 3.58Å; L182-I246 HydrophobicContact CD1-CD1 3.6Å; L182-I246 HydrophobicContact CD2-CD1 4.3Å; L182-V294 HydrophobicContact CD2-CG1 3.81Å
183I93.9Very high86.6Confident8 Ų867.3 Ų67.34%0.04134%0.342CS..EExtended strand (participates in β ladder)trans-117.9122.5174.2-57.1173.4000107R152 Y241 Y292 L293R152-I183 HydrophobicContact CG-CG2 3.7Å; I183-Y241 HydrophobicContact CD1-CD1 3.8Å; I183-Y241 HydrophobicContact CD1-CE1 3.45Å; I183-Y241 VanDerWaalsContact CD1-CE1 3.45Å; I183-Y292 CarbonylContact O-C 3.54Å; I183-Y292 WeakPolarHBondContact O-CA 3.35Å; I183-L293 HydrophobicContact CB-CB 4.21Å; I183-L293 PolarHBondContact N-O 2.96Å; I183-L293 PolarHBondContact O-N 3.33Å
184I93.8Very high88.6Confident9 Ų961.5 Ų61.55%0.04631%0.313CS..EExtended strand (participates in β ladder)trans-84.7124172.6-63163.7000107.2L153 K154 V156 V290 Y292L153-I184 HydrophobicContact CB-CG2 4.41Å; L153-I184 WeakPolarHBondContact CB-O 3.24Å; L153-I184 HydrophobicContact CD1-CG2 4.17Å; L153-I184 PolarHBondContact N-O 3.02Å; K154-I184 HydrophobicContact CD-CD1 4.3Å; K154-I184 HydrophobicContact CG-CB 4.19Å; K154-I184 HydrophobicContact CG-CD1 3.96Å; K154-I184 PolarHBondContact N-O 3.3Å; K154-I184 PolarHBondContact O-N 2.7Å; V156-I184 HydrophobicContact CG2-CD1 3.82Å; V156-I184 HydrophobicContact CG2-CG1 3.95Å; I184-V290 HydrophobicContact CG2-CB 3.89Å; I184-V290 HydrophobicContact CG2-CG1 3.98Å; I184-V290 HydrophobicContact CG2-CG2 4.26Å; I184-Y292 HydrophobicContact CD1-CE1 4.36Å; I184-Y292 HydrophobicContact CG1-CD1 3.97Å; I184-Y292 HydrophobicContact CG1-CE1 3.75Å
185A96Very high90.2Very high0 Ų056 Ų560%029%0.286CS..EExtended strand (participates in β ladder)trans-129.4149.718000000111.4F150 T151 V290 V291 L293F150-A185 HydrophobicContact CB-CB 4.1Å; T151-A185 CarbonylContact O-C 3.54Å; T151-A185 VanDerWaalsContact O-CA 3.27Å; T151-A185 WeakPolarHBondContact O-CA 3.28Å; A185-V290 WeakPolarHBondContact O-CA 3.37Å; A185-V291 HydrophobicContact CB-CG2 4.04Å; A185-V291 PolarHBondContact N-O 3.22Å; A185-V291 PolarHBondContact O-N 3.4Å; A185-L293 HydrophobicContact CB-CD1 3.78Å; A185-L293 HydrophobicContact CB-CG 4.14Å
186R96Very high91.7Very high77 Ų7759.7 Ų59.729%0.29130%0.303SS..EExtended strand (participates in β ladder)trans-93.5118.3170.7178177.458.379.6-8.2108.3F150 T151 L153 H188 E206F150-R186 CarbonylContact C-O 3.59Å; F150-R186 VanDerWaalsContact CA-O 3.23Å; F150-R186 WeakPolarHBondContact CA-O 3.29Å; T151-R186 PolarHBondContact N-O 3.09Å; T151-R186 PolarHBondContact O-N 3.19Å; T151-R186 PolarHBondContact OG1-NH2 2.93Å; L153-R186 HydrophobicContact CD1-CB 4.11Å; L153-R186 HydrophobicContact CD2-CB 4.07Å; L153-R186 HydrophobicContact CG-CB 4.17Å; R186-H188 PolarHBondContact NH1-CE1 2.85Å; R186-H188 PolarHBondContact NH1-ND1 3.48Å; R186-H188 VanDerWaalsContact NH1-ND1 3.19Å; R186-H188 PolarHBondContact NH2-CE1 3.01Å; R186-E206 IonicContact NH2-OE1 3.63Å; R186-E206 PolarHBondContact NH2-OE1 2.91Å; R186-E206 VanDerWaalsContact NH2-OE1 3.08Å
187P96.8Very high92.6Very high34 Ų3453 Ų5322%0.22128%0.275CS..EExtended strand (participates in β ladder)trans-67.9148.8170.631.7-33.2000110.3F150 S289 V291F150-P187 HydrophobicContact CD1-CB 3.79Å; F150-P187 HydrophobicContact CE1-CB 3.83Å; P187-S289 WeakPolarHBondContact CD-O 3.47Å; P187-V291 HydrophobicContact CB-CG1 4.42Å; P187-V291 HydrophobicContact CG-CG1 4.12Å
188H95.2Very high93.4Very high44 Ų4457 Ų5720%0.20430%0.295CS..PPolyproline II helixtrans-103.1167.5165.4-64.1-100.4000109.7S149 T151 R186 D190 E206 G207S149-H188 PolarHBondContact O-CD2 3.28Å; S149-H188 PolarHBondContact O-N 3.46Å; S149-H188 WeakPolarHBondContact OG-CB 3.25Å; T151-H188 PolarHBondContact OG1-NE2 2.98Å; R186-H188 PolarHBondContact NH1-CE1 2.85Å; R186-H188 PolarHBondContact NH1-ND1 3.48Å; R186-H188 VanDerWaalsContact NH1-ND1 3.19Å; R186-H188 PolarHBondContact NH2-CE1 3.01Å; H188-D190 PolarHBondContact O-N 3.35Å; H188-E206 IonicContact CE1-OE1 3.24Å; H188-G207 PolarHBondContact NE2-N 3.12Å
189Q94.3Very high94.1Very high137 Ų13751.1 Ų51.164%0.6427%0.269SS*.PPolyproline II helixtrans-61.8123.1173.618056.85600110.9T191Q189-T191 PolarHBondContact O-N 3.35Å; Q189-T191 PolarHBondContact O-OG1 3.5Å
190D94.6Very high94.8Very high64 Ų6452.5 Ų52.534%0.34228%0.28SS..PPolyproline II helixtrans-52.7128.4170.8-79.416.5000109.9R148 H188R148-D190 WeakPolarHBondContact CG-OD1 3.4Å; R148-D190 WeakPolarHBondContact CG-OD2 3.28Å; R148-D190 IonicContact NE-OD1 3.26Å; R148-D190 IonicContact NE-OD2 3.01Å; H188-D190 PolarHBondContact O-N 3.35Å
191T95.9Very high95.3Very high65 Ų6550.5 Ų50.540%0.39927%0.266SS..EExtended strand (participates in β ladder)trans-120.2136.4-178.1-58.50000110.2R146 C147 Q189 L193R146-T191 CarbonylContact C-O 3.56Å; R146-T191 WeakPolarHBondContact CA-O 3.37Å; C147-T191 PolarHBondContact N-O 3.07Å; C147-T191 PolarHBondContact O-N 3.08Å; Q189-T191 PolarHBondContact O-N 3.35Å; Q189-T191 PolarHBondContact O-OG1 3.5Å; T191-L193 HydrophobicContact CG2-CD2 3.7Å; T191-L193 HydrophobicContact CG2-CG 4.13Å
192V98Very high95.4Very high66 Ų6648 Ų4840%0.425%0.252SS..EExtended strand (participates in β ladder)trans-101.1125.5169.6179.40000108.8V145 R146 V215V145-V192 CarbonylContact O-C 3.58Å; V145-V192 WeakPolarHBondContact O-CA 3.38Å; R146-V192 HydrophobicContact CB-CG2 4.46Å; V192-V215 HydrophobicContact CG1-CG2 4.41Å
193L97.6Very high95.5Very high16 Ų1651.7 Ų51.78%0.08427%0.269CS..EExtended strand (participates in β ladder)trans-114.3138.1-177.6-58.7171.6000109.8L138 V140 S144 V145 C147 T191 H197 C200L138-L193 HydrophobicContact CD2-CD1 3.82Å; V140-L193 HydrophobicContact CG2-CB 3.76Å; S144-L193 CarbonylContact C-O 3.58Å; S144-L193 WeakPolarHBondContact CA-O 3.33Å; S144-L193 WeakPolarHBondContact CB-O 3.09Å; V145-L193 HydrophobicContact CG2-CB 4.08Å; V145-L193 PolarHBondContact N-O 2.92Å; V145-L193 PolarHBondContact O-N 3.48Å; C147-L193 HydrophobicContact CB-CD1 4.45Å; T191-L193 HydrophobicContact CG2-CD2 3.7Å; T191-L193 HydrophobicContact CG2-CG 4.13Å; L193-H197 HydrophobicContact CD2-CB 4.27Å; L193-C200 HydrophobicContact CD1-CB 3.79Å
194S97.6Very high95.4Very high17 Ų1752.9 Ų52.912%0.11928%0.277CS..  trans-135.7172.1176.459.30000110.1S144 D196 H197S144-S194 WeakPolarHBondContact OG-CB 3.49Å; S194-D196 WeakPolarHBondContact CB-OD1 3.47Å; S194-D196 PolarHBondContact O-N 3.46Å; S194-D196 PolarHBondContact OG-OD1 3.18Å; S194-H197 PolarHBondContact N-ND1 3.48Å; S194-H197 WeakPolarHBondContact O-CB 3.31Å; S194-H197 PolarHBondContact O-N 3.28Å; S194-H197 PolarHBondContact OG-CE1 3.09Å; S194-H197 PolarHBondContact OG-ND1 3.29Å
195P97.4Very high95.3Very high52 Ų5258.6 Ų58.634%0.33831%0.306SS..THydrogen-bonded Turntrans-58.7-22.3-173-2936.4000116.5K139 V140 G143K139-P195 VanDerWaalsContact CE-O 3.28Å; K139-P195 WeakPolarHBondContact CE-O 3.33Å; K139-P195 PolarHBondContact NZ-O 2.93Å; V140-P195 HydrophobicContact CG1-CG 4.11Å; V140-P195 WeakPolarHBondContact O-CA 3.26Å; G143-P195 VanDerWaalsContact O-CD 3.26Å; G143-P195 WeakPolarHBondContact O-CD 3.01Å
196D96.3Very high95.1Very high108 Ų10863.3 Ų63.358%0.57833%0.328SS*.THydrogen-bonded Turntrans-84.7-16.7178.257.6-58.8000114.1R78 S194R78-D196 PolarHBondContact NH1-O 3.38Å; R78-D196 PolarHBondContact NH2-O 3.14Å; S194-D196 WeakPolarHBondContact CB-OD1 3.47Å; S194-D196 PolarHBondContact O-N 3.46Å; S194-D196 PolarHBondContact OG-OD1 3.18Å
197H97.1Very high95Very high78 Ų7859.9 Ų59.936%0.36132%0.317SS..SBendtrans-70.7158.7176.5-72.686.2000112.1R78 L193 S194R78-H197 PolarHBondContact NH1-O 3.17Å; L193-H197 HydrophobicContact CD2-CB 4.27Å; S194-H197 PolarHBondContact N-ND1 3.48Å; S194-H197 WeakPolarHBondContact O-CB 3.31Å; S194-H197 PolarHBondContact O-N 3.28Å; S194-H197 PolarHBondContact OG-CE1 3.09Å; S194-H197 PolarHBondContact OG-ND1 3.29Å
198Q95.8Very high94.9Very high119 Ų11958.9 Ų58.956%0.55631%0.31SS*.PPolyproline II helixtrans-64.5147.8170.5-67.8-65.98.300110.5C200Q198-C200 PolarHBondContact O-N 3.19Å
199P96.6Very high95Very high14 Ų1457 Ų579%0.09130%0.301CS..PPolyproline II helixtrans-55.3134.8169.5-2031.1000110.2L74 V77 R78 I137 L138 K139L74-P199 HydrophobicContact CD2-CB 4.11Å; V77-P199 HydrophobicContact CB-CG 4.12Å; V77-P199 HydrophobicContact CG1-CB 4.04Å; V77-P199 HydrophobicContact CG1-CG 3.76Å; R78-P199 HydrophobicContact CB-CG 4.16Å; I137-P199 HydrophobicContact CG2-CB 3.73Å; L138-P199 CarbonylContact O-C 3.47Å; L138-P199 VanDerWaalsContact O-CA 3.29Å; L138-P199 WeakPolarHBondContact O-CA 3.39Å; K139-P199 HydrophobicContact CB-CB 4.35Å; K139-P199 HydrophobicContact CD-CG 4.25Å
200C94.6Very high95.2Very high49 Ų4951.1 Ų51.133%0.33127%0.274SS..EExtended strand (participates in β ladder)trans-78.6127.4175.5-175.50000108.8I137 L138 L193 Q198I137-C200 WeakPolarHBondContact CA-O 3.33Å; L138-C200 HydrophobicContact CB-CB 4.33Å; L138-C200 PolarHBondContact N-O 3.29Å; L138-C200 PolarHBondContact O-N 2.89Å; L193-C200 HydrophobicContact CD1-CB 3.79Å; Q198-C200 PolarHBondContact O-N 3.19Å
201L93.6Very high95.3Very high35 Ų3549.6 Ų49.618%0.18327%0.265CS..EExtended strand (participates in β ladder)trans-101.3117.6177.4-178.266.7000109.3L66 L70 G136 I137 F203L66-L201 HydrophobicContact CD2-CD2 3.8Å; L70-L201 HydrophobicContact CD2-CD2 4.36Å; G136-L201 CarbonylContact O-C 3.59Å; G136-L201 WeakPolarHBondContact O-CA 3.46Å; I137-L201 HydrophobicContact CG1-CD1 3.91Å; L201-F203 HydrophobicContact CB-CE2 4.5Å; L201-F203 HydrophobicContact CD2-CE1 4.09Å; L201-F203 HydrophobicContact CD2-CE2 3.87Å; L201-F203 HydrophobicContact CD2-CZ 3.44Å; L201-F203 VanDerWaalsContact CD2-CZ 3.44Å; L201-F203 HydrophobicContact CG-CE2 3.97Å; L201-F203 HydrophobicContact CG-CZ 4Å
202L91.8Very high95.5Very high15 Ų1546.7 Ų46.78%0.07925%0.247CC..EExtended strand (participates in β ladder)trans-91.5137.8173.6-172.471.6000109.7H131 Y135 G136 G207H131-L202 HydrophobicContact CB-CD2 3.86Å; Y135-L202 WeakPolarHBondContact CA-O 3.23Å; G136-L202 PolarHBondContact N-O 2.98Å; G136-L202 PolarHBondContact O-N 3.38Å; L202-G207 VanDerWaalsContact CD1-C 3.47Å; L202-G207 WeakPolarHBondContact CD1-O 3.42Å
203F92.1Very high95.5Very high79 Ų7945.3 Ų45.335%0.34624%0.239SC..  trans-106.6158.2176.7-69.2-90.5000111.4M134 Y135 L201 I205 E206 N208M134-F203 CarbonylContact O-C 3.58Å; Y135-F203 HydrophobicContact CD1-CD1 4.09Å; Y135-F203 AromaticContact CE1-CD1 3.65Å; Y135-F203 HydrophobicContact CE1-CD1 3.65Å; Y135-F203 HydrophobicContact CE1-CE1 4.11Å; L201-F203 HydrophobicContact CB-CE2 4.5Å; L201-F203 HydrophobicContact CD2-CE1 4.09Å; L201-F203 HydrophobicContact CD2-CE2 3.87Å; L201-F203 HydrophobicContact CD2-CZ 3.44Å; L201-F203 VanDerWaalsContact CD2-CZ 3.44Å; L201-F203 HydrophobicContact CG-CE2 3.97Å; L201-F203 HydrophobicContact CG-CZ 4Å; F203-I205 PolarHBondContact O-N 3.49Å; F203-E206 HydrophobicContact CB-CB 4.35Å; F203-N208 PolarHBondContact O-ND2 3.46Å; F203-N208 VanDerWaalsContact O-ND2 3.15Å
204P92.1Very high95.5Very high32 Ų3245.1 Ų45.121%0.20824%0.238CC..SBendtrans-57-19.2179.2-31.937.6000116.3M134 Y135M134-P204 VanDerWaalsContact O-CA 3.28Å; M134-P204 WeakPolarHBondContact O-CA 3.48Å; Y135-P204 HydrophobicContact CD1-CG 4.37Å; Y135-P204 HydrophobicContact CD2-CG 3.74Å; Y135-P204 HydrophobicContact CE1-CG 4.16Å; Y135-P204 HydrophobicContact CE2-CG 3.47Å; Y135-P204 VanDerWaalsContact CE2-CG 3.47Å; Y135-P204 HydrophobicContact CG-CG 4.18Å
205I91.5Very high95.5Very high129 Ų12945.6 Ų45.666%0.66224%0.241SC*.SBendtrans-127.7-54.3-176.5-57.4175.2000109.8T151 F203 G207T151-I205 HydrophobicContact CG2-CG2 4.47Å; F203-I205 PolarHBondContact O-N 3.49Å; I205-G207 PolarHBondContact O-N 3.44Å
206E92.4Very high95.3Very high99 Ų9951.2 Ų51.246%0.46327%0.268SS..THydrogen-bonded Turntrans-78.2123.3-175.2-179.7156.3-139.700112T151 R186 H188 F203 N208T151-E206 WeakPolarHBondContact OG1-CA 3.21Å; R186-E206 IonicContact NH2-OE1 3.63Å; R186-E206 PolarHBondContact NH2-OE1 2.91Å; R186-E206 VanDerWaalsContact NH2-OE1 3.08Å; H188-E206 IonicContact CE1-OE1 3.24Å; F203-E206 HydrophobicContact CB-CB 4.35Å; E206-N208 PolarHBondContact O-N 3.37Å
207G93.7Very high95.2Very high6 Ų647 Ų476%0.06225%0.25CS..THydrogen-bonded Turntrans70.66.2179.600000114.2F150 T151 H188 L202 I205 L209F150-G207 CarbonylContact O-C 3.44Å; F150-G207 VanDerWaalsContact O-C 3.28Å; F150-G207 WeakPolarHBondContact O-CA 3.38Å; T151-G207 PolarHBondContact OG1-N 2.94Å; H188-G207 PolarHBondContact NE2-N 3.12Å; L202-G207 VanDerWaalsContact CD1-C 3.47Å; L202-G207 WeakPolarHBondContact CD1-O 3.42Å; I205-G207 PolarHBondContact O-N 3.44Å; G207-L209 PolarHBondContact O-N 3.45Å; G207-L209 VanDerWaalsContact O-N 3.16Å
208N94.9Very high95.1Very high13 Ų1345 Ų457%0.0724%0.244CC..  trans-59.3-29.2-170.5-168.5-99.1000114.2H131 F150 F203 E206H131-N208 PolarHBondContact N-OD1 3.04Å; H131-N208 PolarHBondContact O-ND2 3.41Å; H131-N208 PolarHBondContact O-OD1 3.19Å; F150-N208 PolarHBondContact O-N 2.92Å; F203-N208 PolarHBondContact O-ND2 3.46Å; F203-N208 VanDerWaalsContact O-ND2 3.15Å; E206-N208 PolarHBondContact O-N 3.37Å
209L97.3Very high95.2Very high3 Ų339.4 Ų39.42%0.01622%0.218CC..EExtended strand (participates in β ladder)trans-86.8120.2172.6-71.5157.3000108.2L128 H129 D130 S149 F150 R152 G207 Y241 L293L128-L209 HydrophobicContact CD1-CB 4.25Å; H129-L209 CarbonylContact O-C 3.51Å; H129-L209 VanDerWaalsContact O-CA 3.3Å; H129-L209 WeakPolarHBondContact O-CA 3.42Å; D130-L209 HydrophobicContact CB-CD2 3.79Å; D130-L209 HydrophobicContact CB-CG 4.46Å; S149-L209 CarbonylContact C-O 3.51Å; S149-L209 WeakPolarHBondContact CA-O 3.26Å; F150-L209 HydrophobicContact CB-CB 4Å; F150-L209 HydrophobicContact CB-CD1 4.47Å; F150-L209 PolarHBondContact N-O 2.93Å; F150-L209 PolarHBondContact O-N 3.12Å; R152-L209 HydrophobicContact CB-CD1 3.89Å; G207-L209 PolarHBondContact O-N 3.45Å; G207-L209 VanDerWaalsContact O-N 3.16Å; L209-Y241 HydrophobicContact CD2-CD2 3.33Å; L209-Y241 HydrophobicContact CD2-CE2 3.47Å; L209-Y241 VanDerWaalsContact CD2-CE2 3.47Å; L209-Y241 HydrophobicContact CD2-CG 3.96Å; L209-L293 HydrophobicContact CD1-CD1 3.82Å
210H97.7Very high95.2Very high14 Ų1438.7 Ų38.77%0.06521%0.213CC..EExtended strand (participates in β ladder)trans-148.1156.2178.763.3-171.1000115.1L128 H129 H131 R148L128-H210 VanDerWaalsContact CA-O 3.28Å; L128-H210 WeakPolarHBondContact CA-O 3.4Å; H129-H210 AromaticContact CD2-NE2 3.98Å; H129-H210 AromaticContact CE1-CD2 3.29Å; H129-H210 PolarHBondContact CE1-CD2 3.38Å; H129-H210 AromaticContact CE1-NE2 3.35Å; H129-H210 PolarHBondContact CE1-NE2 2.91Å; H129-H210 VanDerWaalsContact CE1-NE2 3.35Å; H129-H210 PolarHBondContact N-O 2.93Å; H129-H210 AromaticContact ND1-CD2 3.9Å; H129-H210 PolarHBondContact ND1-O 3.32Å; H129-H210 AromaticContact NE2-CD2 3.4Å; H129-H210 PolarHBondContact NE2-CD2 2.98Å; H129-H210 AromaticContact NE2-NE2 3.06Å; H129-H210 PolarHBondContact NE2-NE2 2.73Å; H129-H210 PolarHBondContact O-N 3.28Å; H131-H210 AromaticContact CD2-CE1 3.84Å; H131-H210 AromaticContact CD2-NE2 3.33Å; H131-H210 PolarHBondContact CD2-NE2 3.32Å; H131-H210 VanDerWaalsContact CD2-NE2 3.33Å; H131-H210 AromaticContact NE2-CE1 3.75Å; H131-H210 AromaticContact NE2-NE2 3.06Å; H131-H210 PolarHBondContact NE2-NE2 3.42Å; R148-H210 CarbonylContact O-C 3.5Å; R148-H210 WeakPolarHBondContact O-CA 3.45Å; R148-H210 WeakPolarHBondContact O-CB 3.34Å
211E98.2Very high95.3Very high32 Ų3236.4 Ų36.415%0.1520%0.198CC..EExtended strand (participates in β ladder)trans-122.1136.4172.9179.4175.176.300108.7R125 I126 L128 C147 R148R125-E211 WeakPolarHBondContact CD-OE2 3.19Å; R125-E211 IonicContact NE-OE2 2.89Å; I126-E211 WeakPolarHBondContact O-CG 3.35Å; L128-E211 HydrophobicContact CB-CB 4.21Å; L128-E211 HydrophobicContact CD1-CB 4.47Å; C147-E211 WeakPolarHBondContact CA-O 3.45Å; R148-E211 HydrophobicContact CB-CB 4.49Å; R148-E211 PolarHBondContact N-O 2.98Å; R148-E211 IonicContact NH1-OE1 3.26Å; R148-E211 PolarHBondContact O-N 3.24Å
212I98.4Very high95.6Very high4 Ų434.8 Ų34.82%0.02119%0.189CC..EExtended strand (participates in β ladder)trans-121.4121.8-177.8-56.4166.1000108.8L120 R125 I126 L138 V145 R146 F221L120-I212 HydrophobicContact CD2-CG2 4.11Å; R125-I212 CarbonylContact C-O 3.49Å; R125-I212 WeakPolarHBondContact CA-O 3.35Å; I126-I212 HydrophobicContact CB-CB 4.33Å; I126-I212 HydrophobicContact CD1-CD1 4.43Å; I126-I212 PolarHBondContact N-O 3.4Å; I126-I212 PolarHBondContact O-N 3.29Å; L138-I212 HydrophobicContact CD1-CD1 3.5Å; L138-I212 VanDerWaalsContact CD1-CD1 3.5Å; L138-I212 HydrophobicContact CD1-CG1 4.35Å; V145-I212 HydrophobicContact CB-CG2 3.8Å; V145-I212 HydrophobicContact CG1-CG2 4Å; V145-I212 HydrophobicContact CG2-CG2 4.1Å; R146-I212 WeakPolarHBondContact O-CA 3.44Å; I212-F221 HydrophobicContact CD1-CE1 4.17Å; I212-F221 HydrophobicContact CD1-CE2 4.36Å; I212-F221 HydrophobicContact CD1-CZ 3.71Å; I212-F221 HydrophobicContact CG2-CD1 4.45Å; I212-F221 HydrophobicContact CG2-CE1 3.83Å; I212-F221 HydrophobicContact CG2-CZ 4.47Å
213T98.3Very high95.9Very high38 Ų3834.9 Ų34.923%0.23319%0.19CC..EExtended strand (participates in β ladder)trans-126.5133.2-179.3-56.90000109.5V145 R146V145-T213 CarbonylContact C-O 3.55Å; V145-T213 VanDerWaalsContact CA-O 3.25Å; V145-T213 WeakPolarHBondContact CA-O 3.5Å; R146-T213 PolarHBondContact N-O 2.65Å; R146-T213 PolarHBondContact O-N 2.77Å
214P97.9Very high96.1Very high12 Ų1231.1 Ų31.18%0.07817%0.173CC..EExtended strand (participates in β ladder)trans-71.7144175.834.6-32.1000110.3L120 K121 S124 S144 G217 A219L120-P214 HydrophobicContact CB-CB 4.08Å; L120-P214 HydrophobicContact CB-CG 3.99Å; L120-P214 HydrophobicContact CD2-CG 4.48Å; K121-P214 VanDerWaalsContact O-CG 3.25Å; K121-P214 WeakPolarHBondContact O-CG 3.48Å; S124-P214 WeakPolarHBondContact O-CD 3.04Å; S144-P214 CarbonylContact O-C 3.54Å; S144-P214 WeakPolarHBondContact O-CA 3.46Å; P214-G217 WeakPolarHBondContact CB-O 3.4Å; P214-A219 HydrophobicContact CB-CB 3.69Å
215V97.6Very high96.4Very high27 Ų2730.1 Ų30.116%0.16417%0.166CC..  trans-110.6128.8-176.9178.20000108.9S144 R146 V192 G217S144-V215 PolarHBondContact O-N 2.86Å; R146-V215 HydrophobicContact CB-CG2 3.83Å; V192-V215 HydrophobicContact CG1-CG2 4.41Å; V215-G217 PolarHBondContact O-N 3.22Å
216D94.1Very high96.5Very high170 Ų17024.2 Ų24.291%0.90914%0.136SC*.SBendtrans53.327.4173.2-56.1-34.6000115.8
217G93.5Very high96.6Very high20 Ų2021 Ų2121%0.20612%0.124CC..SBendtrans155.5-167.3179.100000112.9P214 V215P214-G217 WeakPolarHBondContact CB-O 3.4Å; V215-G217 PolarHBondContact O-N 3.22Å
218P95.2Very high96.6Very high36 Ų3621.1 Ų21.123%0.23412%0.124CC..  trans-71.3153.7168.429.3-30.5000110.4I92 L120 P122I92-P218 HydrophobicContact CB-CB 3.98Å; I92-P218 HydrophobicContact CB-CG 3.82Å; I92-P218 HydrophobicContact CG2-CB 3.73Å; I92-P218 HydrophobicContact CG2-CG 4.07Å; L120-P218 CarbonylContact O-C 3.57Å; L120-P218 WeakPolarHBondContact O-CA 3.41Å; L120-P218 WeakPolarHBondContact O-CB 3.46Å; P122-P218 HydrophobicContact CG-CB 4.44Å
219A96.7Very high96.4Very high0 Ų022.4 Ų22.40%013%0.128CC..EExtended strand (participates in β ladder)trans-134.3150.1174.400000111.4L120 T142 S144 V145 P214L120-A219 PolarHBondContact N-O 2.9Å; L120-A219 PolarHBondContact O-N 2.92Å; T142-A219 WeakPolarHBondContact O-CA 3.44Å; S144-A219 WeakPolarHBondContact O-CB 3.43Å; V145-A219 HydrophobicContact CG1-CB 3.43Å; V145-A219 VanDerWaalsContact CG1-CB 3.43Å; P214-A219 HydrophobicContact CB-CB 3.69Å
220V97.2Very high95.9Very high0 Ų023.2 Ų23.20%013%0.132CC..EExtended strand (participates in β ladder)trans-132.5129.6179-175.80000107.5F87 I92 I117 F118 I119 L141 T142F87-V220 HydrophobicContact CD2-CG1 3.84Å; F87-V220 HydrophobicContact CD2-CG2 4.42Å; F87-V220 HydrophobicContact CE1-CG2 3.92Å; F87-V220 HydrophobicContact CE2-CB 4.46Å; F87-V220 HydrophobicContact CE2-CG1 3.9Å; F87-V220 HydrophobicContact CE2-CG2 3.72Å; F87-V220 HydrophobicContact CG-CG1 4.28Å; F87-V220 HydrophobicContact CZ-CB 4.47Å; F87-V220 HydrophobicContact CZ-CG1 4.36Å; F87-V220 HydrophobicContact CZ-CG2 3.45Å; F87-V220 VanDerWaalsContact CZ-CG2 3.45Å; I92-V220 HydrophobicContact CG2-CG2 3.92Å; I117-V220 HydrophobicContact CG2-CG1 3.35Å; F118-V220 VanDerWaalsContact O-CA 3.31Å; F118-V220 WeakPolarHBondContact O-CA 3.3Å; I119-V220 HydrophobicContact CG1-CG1 4.36Å; I119-V220 HydrophobicContact CG2-CG2 4.31Å; L141-V220 HydrophobicContact CB-CB 4.5Å; L141-V220 HydrophobicContact CB-CG1 4.33Å; L141-V220 HydrophobicContact CD1-CG1 4.26Å; L141-V220 PolarHBondContact N-O 3.26Å; T142-V220 PolarHBondContact N-O 3.43Å; T142-V220 PolarHBondContact O-N 2.93Å
221F98Very high95.1Very high1 Ų129.1 Ų29.10%0.00416%0.159CC..EExtended strand (participates in β ladder)trans-137.1146.5175.168.9-98.9000111.7I117 F118 L120 I126 L138 K139 V140 V145 I212 D223I117-F221 WeakPolarHBondContact CA-O 3.36Å; F118-F221 HydrophobicContact CB-CD1 4.15Å; F118-F221 HydrophobicContact CB-CD2 4.36Å; F118-F221 HydrophobicContact CB-CE1 3.65Å; F118-F221 HydrophobicContact CB-CE2 3.89Å; F118-F221 HydrophobicContact CB-CG 4.48Å; F118-F221 HydrophobicContact CB-CZ 3.5Å; F118-F221 HydrophobicContact CD2-CD2 4.34Å; F118-F221 AromaticContact CD2-CE2 3.47Å; F118-F221 HydrophobicContact CD2-CE2 3.47Å; F118-F221 VanDerWaalsContact CD2-CE2 3.47Å; F118-F221 AromaticContact CD2-CZ 3.62Å; F118-F221 HydrophobicContact CD2-CZ 3.62Å; F118-F221 HydrophobicContact CE2-CE2 4.35Å; F118-F221 HydrophobicContact CG-CE1 4.36Å; F118-F221 HydrophobicContact CG-CE2 4.02Å; F118-F221 AromaticContact CG-CZ 3.74Å; F118-F221 HydrophobicContact CG-CZ 3.74Å; F118-F221 PolarHBondContact N-O 2.79Å; F118-F221 PolarHBondContact O-N 2.97Å; L120-F221 HydrophobicContact CD1-CD1 3.91Å; L120-F221 HydrophobicContact CD1-CE1 3.45Å; L120-F221 VanDerWaalsContact CD1-CE1 3.45Å; L120-F221 HydrophobicContact CD1-CZ 4.42Å; L120-F221 HydrophobicContact CD2-CE1 4.41Å; I126-F221 HydrophobicContact CD1-CE1 3.83Å; I126-F221 HydrophobicContact CD1-CZ 3.52Å; L138-F221 HydrophobicContact CD1-CD1 4.47Å; L138-F221 HydrophobicContact CD1-CD2 3.73Å; L138-F221 HydrophobicContact CD1-CE1 4.44Å; L138-F221 HydrophobicContact CD1-CE2 3.71Å; L138-F221 HydrophobicContact CD1-CG 4.12Å; L138-F221 HydrophobicContact CD1-CZ 4.09Å; L138-F221 HydrophobicContact CD2-CB 4.27Å; L138-F221 HydrophobicContact CD2-CD2 4.5Å; L138-F221 HydrophobicContact CD2-CG 4.42Å; L138-F221 HydrophobicContact CG-CB 4.27Å; L138-F221 HydrophobicContact CG-CD2 3.65Å; L138-F221 HydrophobicContact CG-CE2 4.11Å; L138-F221 HydrophobicContact CG-CG 4.03Å; K139-F221 CarbonylContact O-C 3.58Å; K139-F221 WeakPolarHBondContact O-CA 3.27Å; K139-F221 WeakPolarHBondContact O-CB 3.12Å; V140-F221 HydrophobicContact CG2-CB 4.46Å; V145-F221 HydrophobicContact CG1-CD1 4.32Å; I212-F221 HydrophobicContact CD1-CE1 4.17Å; I212-F221 HydrophobicContact CD1-CE2 4.36Å; I212-F221 HydrophobicContact CD1-CZ 3.71Å; I212-F221 HydrophobicContact CG2-CD1 4.45Å; I212-F221 HydrophobicContact CG2-CE1 3.83Å; I212-F221 HydrophobicContact CG2-CZ 4.47Å; F221-D223 HydrophobicContact CD2-CB 4.3Å; F221-D223 HydrophobicContact CE2-CB 4Å
222L98.4Very high94.3Very high1 Ų135 Ų351%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-80.5136.8166.5-176.580.5000108.7V77 L80 I107 M115 G116 I117 L138 K139 L141 I224V77-L222 HydrophobicContact CG1-CD2 4.28Å; L80-L222 HydrophobicContact CD1-CD2 3.62Å; I107-L222 HydrophobicContact CD1-CD1 3.77Å; M115-L222 HydrophobicContact CG-CD1 3.84Å; M115-L222 HydrophobicContact CG-CG 4.5Å; M115-L222 HydrophobicContact SD-CD1 4.1Å; G116-L222 WeakPolarHBondContact O-CA 3.33Å; I117-L222 HydrophobicContact CG1-CD1 4.05Å; L138-L222 WeakPolarHBondContact CA-O 3.2Å; K139-L222 HydrophobicContact CB-CB 4.47Å; K139-L222 PolarHBondContact N-O 2.89Å; K139-L222 PolarHBondContact O-N 3.44Å; L141-L222 HydrophobicContact CD1-CB 4.17Å; L141-L222 HydrophobicContact CG-CB 4.45Å; L222-I224 HydrophobicContact CD2-CD1 4.16Å; L222-I224 HydrophobicContact CD2-CG1 4.25Å; L222-I224 HydrophobicContact CG-CG1 4.45Å
223D98.2Very high93.5Very high17 Ų1741.4 Ų41.49%0.09123%0.225CC..EExtended strand (participates in β ladder)trans-121.2138.3171-159.914.6000110.2M115 G116 F118 I137 F221M115-D223 WeakPolarHBondContact CA-O 3.47Å; G116-D223 PolarHBondContact N-O 3.15Å; G116-D223 PolarHBondContact O-N 2.89Å; F118-D223 HydrophobicContact CD2-CB 4.1Å; F118-D223 HydrophobicContact CE2-CB 4.07Å; I137-D223 WeakPolarHBondContact O-CA 3.45Å; F221-D223 HydrophobicContact CD2-CB 4.3Å; F221-D223 HydrophobicContact CE2-CB 4Å
224I98Very high92.7Very high0 Ų040.6 Ų40.60%023%0.225CC..EExtended strand (participates in β ladder)trans-130.5118.2173-55173.6000107.4V8 A12 F16 V77 F113 S114 M115 G136 I137 L222V8-I224 HydrophobicContact CG1-CD1 3.83Å; A12-I224 HydrophobicContact CB-CG2 4.42Å; F16-I224 HydrophobicContact CE2-CG2 3.81Å; V77-I224 HydrophobicContact CG2-CD1 3.93Å; F113-I224 HydrophobicContact CB-CG2 4.43Å; F113-I224 HydrophobicContact CD2-CG2 3.87Å; F113-I224 HydrophobicContact CG-CG2 4.43Å; S114-I224 CarbonylContact O-C 3.51Å; S114-I224 VanDerWaalsContact O-CA 3.3Å; S114-I224 WeakPolarHBondContact O-CA 3.48Å; M115-I224 HydrophobicContact CB-CG1 4.38Å; M115-I224 HydrophobicContact CE-CD1 4.07Å; M115-I224 HydrophobicContact CE-CG1 4.24Å; M115-I224 HydrophobicContact CG-CG1 3.95Å; M115-I224 HydrophobicContact SD-CG1 4.46Å; G136-I224 CarbonylContact C-O 3.59Å; G136-I224 VanDerWaalsContact CA-O 3.25Å; G136-I224 WeakPolarHBondContact CA-O 3.18Å; I137-I224 HydrophobicContact CB-CB 4.23Å; I137-I224 PolarHBondContact N-O 3Å; I137-I224 PolarHBondContact O-N 3.45Å; L222-I224 HydrophobicContact CD2-CD1 4.16Å; L222-I224 HydrophobicContact CD2-CG1 4.25Å; L222-I224 HydrophobicContact CG-CG1 4.45Å
225L96.7Very high92Very high11 Ų1143.8 Ų43.86%0.05824%0.244CC..EExtended strand (participates in β ladder)trans-114.7135.8-178.5-59.5176.7000110.6F113 S114 M134 Y135 P227 Y229F113-L225 CarbonylContact C-O 3.43Å; F113-L225 WeakPolarHBondContact CA-O 3.2Å; F113-L225 VanDerWaalsContact CB-O 3.27Å; F113-L225 WeakPolarHBondContact CB-O 3.24Å; S114-L225 PolarHBondContact N-O 3.28Å; S114-L225 PolarHBondContact O-N 3.18Å; M134-L225 HydrophobicContact CE-CB 3.67Å; M134-L225 HydrophobicContact CE-CD1 3.74Å; M134-L225 HydrophobicContact CE-CD2 4.46Å; M134-L225 HydrophobicContact CE-CG 4.16Å; Y135-L225 WeakPolarHBondContact O-CA 3.33Å; L225-P227 CarbonylContact C-O 3.48Å; L225-Y229 HydrophobicContact CD1-CD2 4.17Å; L225-Y229 HydrophobicContact CD1-CE2 3.67Å
226A94.9Very high91.7Very high4 Ų445.8 Ų45.83%0.03325%0.249CC..EExtended strand (participates in β ladder)trans-143.5120.9-178.100000112.5F16 F113 Y135F16-A226 HydrophobicContact CB-CB 3.77Å; F16-A226 HydrophobicContact CD1-CB 3.39Å; F16-A226 HydrophobicContact CD2-CB 3.46Å; F16-A226 VanDerWaalsContact CD2-CB 3.46Å; F16-A226 HydrophobicContact CE1-CB 3.72Å; F16-A226 HydrophobicContact CE2-CB 3.78Å; F16-A226 HydrophobicContact CG-CB 3.25Å; F16-A226 HydrophobicContact CZ-CB 3.89Å; F113-A226 HydrophobicContact CB-CB 3.99Å; Y135-A226 PolarHBondContact N-O 2.82Å; Y135-A226 PolarHBondContact O-N 3.34Å
227P93.6Very high91.6Very high33 Ų3342.5 Ų42.521%0.21423%0.228CC..SBendcis-62.2169.5-10.431.1-37.4000111.4M134 L225M134-P227 VanDerWaalsContact CE-O 3.3Å; M134-P227 WeakPolarHBondContact CE-O 3.49Å; M134-P227 HydrophobicContact CG-CG 4.27Å; M134-P227 WeakPolarHBondContact CG-O 3.16Å; L225-P227 CarbonylContact C-O 3.48Å
228P93.3Very high91.6Very high8 Ų843.8 Ų43.85%0.05223%0.233CC..PPolyproline II helixtrans-60.6166.1166.1-12.724.1000111.8E109 N110 R236E109-P228 HydrophobicContact CG-CB 4.16Å; E109-P228 HydrophobicContact CG-CG 4Å; N110-P228 WeakPolarHBondContact O-CG 3.36Å; P228-R236 PolarHBondContact O-NE 3.23Å; P228-R236 PolarHBondContact O-NH2 3.38Å
229Y91.2Very high91.6Very high40 Ų4045.5 Ų45.516%0.15724%0.235CC..PPolyproline II helixtrans-56.6152.7163.2-70.2-64.5000110.7D130 H131 M134 L225 R236 C238D130-Y229 PolarHBondContact O-OH 2.85Å; D130-Y229 VanDerWaalsContact O-OH 3.06Å; H131-Y229 AromaticContact CE1-CZ 3.77Å; H131-Y229 PolarHBondContact CE1-OH 3.49Å; H131-Y229 AromaticContact ND1-CZ 3.52Å; H131-Y229 PolarHBondContact ND1-OH 3.16Å; M134-Y229 HydrophobicContact CE-CD1 3.73Å; M134-Y229 HydrophobicContact CE-CD2 4.02Å; M134-Y229 HydrophobicContact CE-CE1 3.81Å; M134-Y229 HydrophobicContact CE-CE2 4.08Å; M134-Y229 HydrophobicContact CE-CG 3.88Å; M134-Y229 HydrophobicContact SD-CD1 3.55Å; M134-Y229 VanDerWaalsContact SD-CD1 3.55Å; M134-Y229 HydrophobicContact SD-CE1 3.64Å; M134-Y229 HydrophobicContact SD-CG 4.24Å; L225-Y229 HydrophobicContact CD1-CD2 4.17Å; L225-Y229 HydrophobicContact CD1-CE2 3.67Å; Y229-R236 WeakPolarHBondContact CA-O 3.43Å; Y229-R236 WeakPolarHBondContact CB-O 3.25Å; Y229-R236 VanDerWaalsContact CD1-O 3.24Å; Y229-R236 WeakPolarHBondContact CD1-O 3.36Å; Y229-C238 HydrophobicContact CD1-CB 4.43Å; Y229-C238 HydrophobicContact CE1-CB 3.68Å; Y229-C238 HydrophobicContact CE2-CB 4.29Å; Y229-C238 WeakPolarHBondContact OH-CB 3.35Å; Y229-C238 PolarHBondContact OH-SG 3.03Å; Y229-C238 VanDerWaalsContact OH-SG 3.4Å
230D87.3Confident91.7Very high19 Ų1946.6 Ų46.610%0.10224%0.24CC..  trans-99.496.1-179.5-171.1-13.7000109.4D232 L233 G234 T235 R236D230-D232 VanDerWaalsContact C-N 3.29Å; D230-D232 PolarHBondContact OD1-N 3.01Å; D230-D232 VanDerWaalsContact OD1-N 3.15Å; D230-L233 PolarHBondContact OD1-N 3.13Å; D230-L233 WeakPolarHBondContact OD2-CB 3.24Å; D230-G234 PolarHBondContact O-N 2.69Å; D230-T235 PolarHBondContact OD2-OG1 2.88Å; D230-R236 HydrophobicContact CB-CB 3.98Å; D230-R236 PolarHBondContact N-O 3.5Å; D230-R236 IonicContact OD2-NH1 2.65Å
231H80.9Confident91.7Very high138 Ų13847 Ų4764%0.63924%0.241SC*.THydrogen-bonded Turntrans-76.2-17179.8-62.6-57.4000113.3E109E109-H231 IonicContact OE1-CD2 3.54Å
232D81.4Confident91.5Very high156 Ų15651.7 Ų51.783%0.83426%0.262SS*.THydrogen-bonded Turntrans-96.7-47.1-172.5-67-33.5000112.5D230D230-D232 VanDerWaalsContact C-N 3.29Å; D230-D232 PolarHBondContact OD1-N 3.01Å; D230-D232 VanDerWaalsContact OD1-N 3.15Å
233L80.9Confident91.3Very high138 Ų13855.5 Ų55.572%0.72328%0.28SS*.THydrogen-bonded Turntrans-102.7-8.8-175.8-52.8172.7000113.3D230 T235D230-L233 PolarHBondContact OD1-N 3.13Å; D230-L233 WeakPolarHBondContact OD2-CB 3.24Å; L233-T235 HydrophobicContact CB-CG2 3.83Å; L233-T235 PolarHBondContact O-N 2.82Å
234G81.3Confident90.9Very high21 Ų2155.6 Ų55.622%0.21628%0.281CS..  trans66.115.8-178.600000114.1D230 R236 E237D230-G234 PolarHBondContact O-N 2.69Å; G234-R236 VanDerWaalsContact C-N 3.31Å; G234-R236 PolarHBondContact O-N 3.4Å; G234-E237 WeakPolarHBondContact CA-OE1 3.44Å
235T84.5Confident90.2Very high80 Ų8062.8 Ų62.849%0.49132%0.318SS..SBendtrans-74.3-24.6-176.568.50000112.8D230 L233D230-T235 PolarHBondContact OD2-OG1 2.88Å; L233-T235 HydrophobicContact CB-CG2 3.83Å; L233-T235 PolarHBondContact O-N 2.82Å
236R90Very high89.2Confident68 Ų6862.7 Ų62.726%0.25732%0.317SS..SBendtrans-130.278177.5-65.4-178.9-60.4-69.40.5108.4M134 P228 Y229 D230 G234M134-R236 HydrophobicContact SD-CB 4.43Å; P228-R236 PolarHBondContact O-NE 3.23Å; P228-R236 PolarHBondContact O-NH2 3.38Å; Y229-R236 WeakPolarHBondContact CA-O 3.43Å; Y229-R236 WeakPolarHBondContact CB-O 3.25Å; Y229-R236 VanDerWaalsContact CD1-O 3.24Å; Y229-R236 WeakPolarHBondContact CD1-O 3.36Å; D230-R236 HydrophobicContact CB-CB 3.98Å; D230-R236 PolarHBondContact N-O 3.5Å; D230-R236 IonicContact OD2-NH1 2.65Å; G234-R236 VanDerWaalsContact C-N 3.31Å; G234-R236 PolarHBondContact O-N 3.4Å
237E92Very high87.8Confident102 Ų10265.3 Ų65.348%0.47733%0.334SS..  trans-97.3141.1172.5-69.4175168.400110P132 G234 R239P132-E237 WeakPolarHBondContact CG-O 3.31Å; G234-E237 WeakPolarHBondContact CA-OE1 3.44Å; E237-R239 PolarHBondContact O-N 3.04Å
238C94.2Very high86.2Confident47 Ų4770.7 Ų70.732%0.31836%0.356SS..  trans-70121.4168.8-175.60000109.4Y229Y229-C238 HydrophobicContact CD1-CB 4.43Å; Y229-C238 HydrophobicContact CE1-CB 3.68Å; Y229-C238 HydrophobicContact CE2-CB 4.29Å; Y229-C238 WeakPolarHBondContact OH-CB 3.35Å; Y229-C238 PolarHBondContact OH-SG 3.03Å; Y229-C238 VanDerWaalsContact OH-SG 3.4Å
239R95.5Very high84.5Confident72 Ų7272.1 Ų72.127%0.27236%0.363SS..  trans-111.6146.3176.9-63.3176.9-178.885.88.3110.2H129 D130 E237 Y241 E295H129-R239 CarbonylContact C-O 3.5Å; H129-R239 WeakPolarHBondContact CA-O 3.4Å; H129-R239 WeakPolarHBondContact CB-O 3.25Å; D130-R239 PolarHBondContact N-O 3.02Å; D130-R239 VanDerWaalsContact N-O 3.12Å; D130-R239 WeakPolarHBondContact OD1-CB 3.17Å; D130-R239 PolarHBondContact OD1-N 3.47Å; E237-R239 PolarHBondContact O-N 3.04Å; R239-Y241 HydrophobicContact CB-CE2 3.77Å; R239-Y241 WeakPolarHBondContact CB-OH 3.49Å; R239-Y241 WeakPolarHBondContact CD-OH 3.43Å; R239-Y241 VanDerWaalsContact O-CE2 3.3Å; R239-Y241 WeakPolarHBondContact O-CE2 3.37Å; R239-E295 HydrophobicContact CB-CG 4.46Å; R239-E295 WeakPolarHBondContact CD-OE1 3.26Å; R239-E295 WeakPolarHBondContact CD-OE2 3.36Å
240F97.5Very high82.4Confident23 Ų2377 Ų7710%0.10139%0.392CS..EExtended strand (participates in β ladder)trans-99.4149.6178.1-65.6-79.1000111.5P127 L128 H129 E295 T296 Q298 Y302P127-F240 HydrophobicContact CB-CD1 4Å; P127-F240 HydrophobicContact CB-CE1 4.32Å; P127-F240 HydrophobicContact CG-CD1 4.43Å; P127-F240 HydrophobicContact CG-CE1 4.34Å; L128-F240 CarbonylContact O-C 3.6Å; L128-F240 WeakPolarHBondContact O-CA 3.3Å; H129-F240 HydrophobicContact CB-CD1 3.96Å; H129-F240 HydrophobicContact CB-CE1 4.12Å; F240-E295 CarbonylContact O-C 3.52Å; F240-E295 WeakPolarHBondContact O-CA 3.12Å; F240-E295 WeakPolarHBondContact O-CG 3.21Å; F240-T296 PolarHBondContact O-N 3.03Å; F240-Q298 HydrophobicContact CD2-CB 3.89Å; F240-Q298 HydrophobicContact CD2-CG 4.28Å; F240-Q298 HydrophobicContact CE2-CB 3.73Å; F240-Q298 HydrophobicContact CE2-CG 3.76Å; F240-Q298 HydrophobicContact CZ-CB 4.45Å; F240-Q298 HydrophobicContact CZ-CG 4Å; F240-Y302 HydrophobicContact CE1-CD1 4.21Å; F240-Y302 HydrophobicContact CE1-CE1 4.02Å; F240-Y302 HydrophobicContact CZ-CD1 4.12Å; F240-Y302 AromaticContact CZ-CE1 3.78Å; F240-Y302 HydrophobicContact CZ-CE1 3.78Å
241Y97.3Very high80.5Confident7 Ų780.8 Ų80.83%0.02742%0.42CS..EExtended strand (participates in β ladder)trans-135.1163.1-179.7-58.2-86.4000110.6L128 D130 R152 I183 L209 R239 V294 E295L128-Y241 PolarHBondContact O-N 3.46Å; D130-Y241 HydrophobicContact CB-CE2 3.86Å; D130-Y241 PolarHBondContact OD2-OH 2.82Å; R152-Y241 VanDerWaalsContact NH2-CE1 3.27Å; R152-Y241 PolarHBondContact NH2-OH 3.22Å; I183-Y241 HydrophobicContact CD1-CD1 3.8Å; I183-Y241 HydrophobicContact CD1-CE1 3.45Å; I183-Y241 VanDerWaalsContact CD1-CE1 3.45Å; L209-Y241 HydrophobicContact CD2-CD2 3.33Å; L209-Y241 HydrophobicContact CD2-CE2 3.47Å; L209-Y241 VanDerWaalsContact CD2-CE2 3.47Å; L209-Y241 HydrophobicContact CD2-CG 3.96Å; R239-Y241 HydrophobicContact CB-CE2 3.77Å; R239-Y241 WeakPolarHBondContact CB-OH 3.49Å; R239-Y241 WeakPolarHBondContact CD-OH 3.43Å; R239-Y241 VanDerWaalsContact O-CE2 3.3Å; R239-Y241 WeakPolarHBondContact O-CE2 3.37Å; Y241-V294 CarbonylContact C-O 3.59Å; Y241-V294 VanDerWaalsContact CA-O 3.22Å; Y241-V294 WeakPolarHBondContact CA-O 3.44Å; Y241-E295 HydrophobicContact CD1-CB 4.02Å; Y241-E295 HydrophobicContact CD1-CG 4.41Å; Y241-E295 HydrophobicContact CE1-CB 3.7Å; Y241-E295 HydrophobicContact CE1-CG 3.88Å; Y241-E295 PolarHBondContact OH-OE2 2.96Å
242K95Very high78.7Confident100 Ų10081.1 Ų81.144%0.43543%0.426SS..EExtended strand (participates in β ladder)trans-138.4147.4165.167.2-179.1173.6-178.20110.5V244 L293 V294 T296K242-V244 HydrophobicContact CG-CG1 4.29Å; K242-L293 CarbonylContact O-C 3.56Å; K242-L293 VanDerWaalsContact O-CA 3.27Å; K242-L293 WeakPolarHBondContact O-CA 3.47Å; K242-V294 HydrophobicContact CD-CG2 4.19Å; K242-V294 VanDerWaalsContact CE-CG2 3.43Å; K242-V294 HydrophobicContact CG-CG2 3.59Å; K242-V294 PolarHBondContact N-O 2.76Å; K242-V294 PolarHBondContact O-N 3.21Å; K242-T296 HydrophobicContact CB-CG2 4.3Å; K242-T296 HydrophobicContact CD-CG2 3.67Å; K242-T296 HydrophobicContact CG-CG2 3.63Å
243E93.5Very high76.9Confident81 Ų8177.2 Ų77.238%0.37942%0.415SS..EExtended strand (participates in β ladder)trans-66.7138.5167.9-66.9176.1-102.700109.9R148 F150 Y292 L293R148-E243 IonicContact CZ-OE1 2.85Å; R148-E243 VanDerWaalsContact CZ-OE1 3.26Å; R148-E243 IonicContact NH1-OE1 2.89Å; R148-E243 PolarHBondContact NH1-OE1 3.39Å; R148-E243 IonicContact NH2-OE1 2.73Å; R148-E243 PolarHBondContact NH2-OE1 3.31Å; R148-E243 IonicContact NH2-OE2 3.61Å; F150-E243 HydrophobicContact CZ-CG 4.39Å; E243-Y292 CarbonylContact C-O 3.28Å; E243-Y292 WeakPolarHBondContact CA-O 3.33Å; E243-L293 HydrophobicContact CB-CD2 4.18Å; E243-L293 HydrophobicContact CG-CD2 3.45Å; E243-L293 VanDerWaalsContact CG-CD2 3.45Å
244V90.1Very high75.2Confident19 Ų1974.3 Ų74.312%0.11540%0.4CS..EExtended strand (participates in β ladder)trans-125.7138.7173.9-64.80000109.8W177 L182 K242 Y292 V294W177-V244 HydrophobicContact CH2-CB 4.18Å; W177-V244 HydrophobicContact CH2-CG2 4Å; W177-V244 HydrophobicContact CZ2-CB 3.81Å; W177-V244 HydrophobicContact CZ2-CG1 3.88Å; W177-V244 HydrophobicContact CZ2-CG2 4.09Å; L182-V244 HydrophobicContact CD2-CG2 3.58Å; K242-V244 HydrophobicContact CG-CG1 4.29Å; V244-Y292 PolarHBondContact N-O 3.44Å; V244-V294 HydrophobicContact CG1-CB 4.45Å; V244-V294 HydrophobicContact CG1-CG1 4.05Å; V244-V294 HydrophobicContact CG1-CG2 3.63Å; V244-V294 HydrophobicContact CG2-CG1 3.95Å
245I82.9Confident73.4Confident152 Ų15275.5 Ų75.578%0.77940%0.401SS*.  trans-84.1133.4170.4-60.8171.8000107P247I245-P247 VanDerWaalsContact O-CD 3.23Å; I245-P247 WeakPolarHBondContact O-CD 3.46Å
246I76.3Confident71.2Confident8 Ų875.2 Ų75.24%0.04140%0.403CS..  trans-100103.6168.8-57.2-176.9000107.1L162 Y165 L182 Q248 M249 Y292L162-I246 HydrophobicContact CD2-CD1 4.06Å; Y165-I246 HydrophobicContact CE1-CG2 3.64Å; Y165-I246 WeakPolarHBondContact OH-CG2 3.13Å; L182-I246 HydrophobicContact CD1-CD1 3.6Å; L182-I246 HydrophobicContact CD2-CD1 4.3Å; I246-Q248 PolarHBondContact O-N 2.82Å; I246-M249 HydrophobicContact CD1-SD 4.41Å; I246-M249 HydrophobicContact CG2-SD 4.23Å; I246-M249 PolarHBondContact O-N 3Å; I246-Y292 HydrophobicContact CD1-CD1 3.35Å; I246-Y292 HydrophobicContact CD1-CD2 3.63Å; I246-Y292 HydrophobicContact CD1-CE1 3.6Å; I246-Y292 HydrophobicContact CD1-CE2 3.89Å; I246-Y292 HydrophobicContact CD1-CG 3.37Å; I246-Y292 HydrophobicContact CG1-CD1 4.39Å; I246-Y292 HydrophobicContact CG1-CD2 3.93Å; I246-Y292 HydrophobicContact CG1-CE2 4.42Å; I246-Y292 HydrophobicContact CG1-CG 3.93Å
247P64.3Low69Low59 Ų5977 Ų7738%0.38341%0.414SS..THydrogen-bonded Turntrans-47.6136174.4-32.836.7000111.8Y165 V171 I245Y165-P247 PolarHBondContact OH-O 3.27Å; V171-P247 HydrophobicContact CG1-CB 3.86Å; V171-P247 VanDerWaalsContact CG1-CD 3.45Å; V171-P247 HydrophobicContact CG1-CG 3.46Å; V171-P247 VanDerWaalsContact CG1-CG 3.46Å; V171-P247 HydrophobicContact CG2-CB 4.36Å; I245-P247 VanDerWaalsContact O-CD 3.23Å; I245-P247 WeakPolarHBondContact O-CD 3.46Å
248Q60.7Low66.5Low146 Ų14679.4 Ų79.468%0.68243%0.43SS*.THydrogen-bonded Turntrans81.2-5.6178.1-49.1177.61.600117.7Y165 I246 N250Y165-Q248 HydrophobicContact CE2-CB 4.18Å; I246-Q248 PolarHBondContact O-N 2.82Å; Q248-N250 PolarHBondContact O-N 3.48Å
249M58.7Low63.9Low39 Ų3983.6 Ų83.619%0.19245%0.449CS..  trans-89.584.2164.9-89.9173.7130.500110.1L162 Y165 I246 L254 Y292L162-M249 HydrophobicContact CB-CE 3.91Å; L162-M249 HydrophobicContact CD2-CE 4.26Å; L162-M249 HydrophobicContact CD2-SD 3.98Å; L162-M249 HydrophobicContact CG-CE 4.24Å; L162-M249 WeakPolarHBondContact O-CE 3.38Å; Y165-M249 HydrophobicContact CD1-CE 3.84Å; Y165-M249 HydrophobicContact CD1-CG 3.92Å; Y165-M249 HydrophobicContact CD1-SD 3.47Å; Y165-M249 WeakPolarHBondContact CD1-SD 3.36Å; Y165-M249 HydrophobicContact CD2-CG 3.66Å; Y165-M249 HydrophobicContact CD2-SD 4.32Å; Y165-M249 HydrophobicContact CE1-CG 4.01Å; Y165-M249 HydrophobicContact CE1-SD 3.7Å; Y165-M249 HydrophobicContact CE2-CG 3.82Å; Y165-M249 HydrophobicContact CG-CE 3.8Å; Y165-M249 HydrophobicContact CG-CG 3.73Å; Y165-M249 HydrophobicContact CG-SD 3.79Å; I246-M249 HydrophobicContact CD1-SD 4.41Å; I246-M249 HydrophobicContact CG2-SD 4.23Å; I246-M249 PolarHBondContact O-N 3Å; M249-L254 HydrophobicContact CE-CD1 4.21Å; M249-Y292 WeakPolarHBondContact CE-OH 3.36Å; M249-Y292 HydrophobicContact SD-CE2 4.19Å; M249-Y292 PolarHBondContact SD-OH 3.03Å
250N45.2Very low61Low143 Ų14386.9 Ų86.977%0.76547%0.472SS*.  trans-72.5127.5160.5-78.4-7.4000108Q248 N252Q248-N250 PolarHBondContact O-N 3.48Å; N250-N252 PolarHBondContact O-N 3.49Å
251S48.4Very low58Low98 Ų9894.8 Ų94.869%0.68551%0.508SS*.THydrogen-bonded Turntrans-60.721.3-161.7-34.30000118
252N44.1Very low55.1Low145 Ų145102.2 Ų102.278%0.77555%0.549SS*.THydrogen-bonded Turntrans-110.6-1.1-174.2-68.4-16.8000114.7N250N250-N252 PolarHBondContact O-N 3.49Å
253A41.9Very low52.2Low74 Ų74104.6 Ų104.661%0.61257%0.566SS**SBendtrans-99.3-11.6-169.100000116.8
254L45.6Very low49.6Very low76 Ų76108.5 Ų108.540%0.39859%0.589SS.*SBendtrans-89.7-12.3177.8-81.9166.2000113.9M249 V290M249-L254 HydrophobicContact CE-CD1 4.21Å; L254-V290 HydrophobicContact CD1-CG2 4.3Å
255L43.3Very low47.1Very low46 Ų46114.3 Ų114.324%0.24162%0.62CS.*SBendtrans-91.7-1.9-174.3-88.5161000115K287 D288L255-K287 HydrophobicContact CD1-CB 4.24Å; L255-K287 HydrophobicContact CD1-CD 4.38Å; L255-K287 HydrophobicContact CD1-CG 3.96Å; L255-K287 HydrophobicContact CD2-CG 4.14Å; L255-D288 HydrophobicContact CD1-CB 4.2Å; L255-D288 HydrophobicContact CD2-CB 3.76Å; L255-D288 WeakPolarHBondContact CD2-OD2 3.09Å; L255-D288 HydrophobicContact CG-CB 4.13Å
256S39.6Very low45.1Very low75 Ų75114.6 Ų114.652%0.52462%0.623SS.*SBendtrans-104.9-1-176.154.60000115.1
257Q43.6Very low43.5Very low106 Ų106122.3 Ų122.350%0.49566%0.659SS.*SBendtrans-104.2-10.5-179.2-74.9-171-23.700115.3N164N164-Q257 PolarHBondContact ND2-NE2 3.36Å
258N40Very low42.1Very low151 Ų151127.6 Ų127.681%0.80768%0.678SS**SBendtrans-100.29.2177.7-71.4-10.6000114.3
259N37.9Very low41.1Very low135 Ų135127.5 Ų127.572%0.72268%0.682SS**SBendtrans-123.515.2-179.2-83.1-34.9000115.1
260L35.4Very low40.2Very low142 Ų142130 Ų13074%0.74370%0.703SS**  trans-11772.3172.9-89.187000111.1
261H34.4Very low40Very low189 Ų189128.1 Ų128.188%0.87570%0.702SS**  trans-160.475.5152.4-11375.4000109.1
262N35.5Very low39.8Very low163 Ų163128.8 Ų128.887%0.87271%0.706SS**  trans-155.986.3153.6-105.1-13.3000108.1
263N34.2Very low39.8Very low150 Ų150126.7 Ų126.780%0.80271%0.709SS**  trans-66.9126.8160.8-78.4-19.1000107.8
264N38.7Very low39.6Very low162 Ų162130.5 Ų130.587%0.86672%0.719SS**  trans-150114.4143.6-91.4-26.9000109.1
265N38.1Very low39.7Very low141 Ų141131.3 Ų131.375%0.75473%0.731SS**  trans-57.7138.7162.5-55.4-35.5000108.6
266N41.6Very low39.6Very low159 Ų159134.4 Ų134.485%0.8576%0.756SS**  178.7145.6123.4-82.5-14.3000111.2
267E41.7Very low39.7Very low170 Ų170138.7 Ų138.779%0.79477%0.774SS**  trans-71.9160-165.7-65169.4131.800115.2
268E36.6Very low39.5Very low169 Ų169139 Ų13979%0.7979%0.785SS**  trans47.2123.4143.9-73.1-174.3149.100120.7
269L38Very low39.3Very low144 Ų144139.5 Ų139.575%0.75479%0.787SS**  161.4121.389.5-150.175.1000112.1
270S40.3Very low39.1Very low91 Ų91141.3 Ų141.364%0.63680%0.796SS**  trans32.3125.6147.271.30000124.4
271S40.8Very low39Very low105 Ų105140.8 Ų140.873%0.73480%0.803SS**  92.4141118.372.60000123.2
272S44.3Very low38.8Very low112 Ų112136.5 Ų136.578%0.78379%0.794SS**  trans73.3105164620000117.2
273A43.5Very low38.7Very low100 Ų100137 Ų13783%0.82680%0.797SS**  84.611579.400000112.3
274D38.2Very low38.6Very low154 Ų154138.7 Ų138.782%0.82480%0.8SS**  150.1145.1116.8-154.57.6000113.7
275S48.2Very low38.4Very low93 Ų93136.4 Ų136.465%0.6580%0.797SS**  trans73.397.5158.666.90000121.9
276S41.7Very low38.7Very low111 Ų111138.3 Ų138.378%0.77680%0.801SS**  35.9113.5122.458.70000121.3
277D41.7Very low38.9Very low166 Ų166138 Ų13889%0.88879%0.792SS**  trans-152.4123.1142.5-126.5-15.1000109.7
278P38.2Very low39.8Very low112 Ų112135.2 Ų135.273%0.72778%0.783SS**  trans-105.196.3177.234.8-21.9000110.1
279D37.3Very low42.1Very low162 Ų162130.6 Ų130.687%0.86677%0.769SS**  trans-171.182.6155.3-98.9-23.4000110.2
280L32.2Very low44.7Very low173 Ų173125.9 Ų125.991%0.90675%0.746SS**  trans-146.577.3168.9-13991.7000110.2S282L280-S282 PolarHBondContact O-N 3.41Å
281C34Very low47.2Very low130 Ų130122.9 Ų122.988%0.87872%0.724SS**  trans-85.4101.5165.3-89.90000110.5
282S30.1Very low49.6Very low99 Ų99118.9 Ų118.969%0.69269%0.693SS**  trans55.587.5144.264.70000119.6L280L280-S282 PolarHBondContact O-N 3.41Å
283N34.1Very low52Low174 Ų174113.5 Ų113.593%0.9366%0.655SS**  trans-120.564.2151.2-89.2-23.8000109.8
284Q30.4Very low54.5Low186 Ų186108.9 Ų108.987%0.86962%0.616SS**  trans-139.684.8175.1-70.5-175.624.600110.3
285S34.6Very low57.2Low114 Ų114106.5 Ų106.580%0.79760%0.6SS**  trans177.819.4147.167.10000116.5K287S285-K287 PolarHBondContact O-N 2.95Å
286E45.4Very low59.4Low180 Ų180103.9 Ų103.984%0.84158%0.581SS**  trans-79.571.8164.6-107.1-174.7166.900109.3
287K46.6Very low61.8Low152 Ų152105.7 Ų105.766%0.66158%0.581SS**  trans-104.5102179.6-143.8179.9-173.9178.10108.3L255 S285 S289L255-K287 HydrophobicContact CD1-CB 4.24Å; L255-K287 HydrophobicContact CD1-CD 4.38Å; L255-K287 HydrophobicContact CD1-CG 3.96Å; L255-K287 HydrophobicContact CD2-CG 4.14Å; S285-K287 PolarHBondContact O-N 2.95Å; K287-S289 VanDerWaalsContact C-N 3.35Å; K287-S289 PolarHBondContact O-N 3.3Å
288D60.5Low64.4Low113 Ų113102.6 Ų102.660%0.60456%0.562SS**  trans9.862.5174.2-56.2-38.9000117.6L255 V290L255-D288 HydrophobicContact CD1-CB 4.2Å; L255-D288 HydrophobicContact CD2-CB 3.76Å; L255-D288 WeakPolarHBondContact CD2-OD2 3.09Å; L255-D288 HydrophobicContact CG-CB 4.13Å; D288-V290 PolarHBondContact O-N 2.85Å
289S84.7Confident67.1Low72 Ų7298.7 Ų98.750%0.50354%0.536SS..  trans-75.3115.8164.463.20000108.1P187 K287P187-S289 WeakPolarHBondContact CD-O 3.47Å; K287-S289 VanDerWaalsContact C-N 3.35Å; K287-S289 PolarHBondContact O-N 3.3Å
290V90.9Very high69.9Low44 Ų4496.9 Ų96.927%0.26754%0.537SS..  trans-93.7152.1169.3-640000110.2L153 I184 A185 L254 D288L153-V290 HydrophobicContact CD1-CG1 3.89Å; I184-V290 HydrophobicContact CG2-CB 3.89Å; I184-V290 HydrophobicContact CG2-CG1 3.98Å; I184-V290 HydrophobicContact CG2-CG2 4.26Å; A185-V290 WeakPolarHBondContact O-CA 3.37Å; L254-V290 HydrophobicContact CD1-CG2 4.3Å; D288-V290 PolarHBondContact O-N 2.85Å
291V93Very high72.8Confident28 Ų2892.4 Ų92.417%0.1751%0.514CS..EExtended strand (participates in β ladder)trans-114.8162.7168.8-59.10000110F150 A185 P187 L293F150-V291 HydrophobicContact CD1-CG2 3.56Å; F150-V291 HydrophobicContact CE1-CG2 3.72Å; A185-V291 HydrophobicContact CB-CG2 4.04Å; A185-V291 PolarHBondContact N-O 3.22Å; A185-V291 PolarHBondContact O-N 3.4Å; P187-V291 HydrophobicContact CB-CG1 4.42Å; P187-V291 HydrophobicContact CG-CG1 4.12Å; V291-L293 HydrophobicContact CG2-CD2 4.18Å; V291-L293 HydrophobicContact CG2-CG 4.5Å
292Y92.7Very high75.8Confident21 Ų2187.3 Ų87.38%0.08248%0.476CS..EExtended strand (participates in β ladder)trans-113.4127.4177.2-60.5-85.5000109.3L162 I183 I184 E243 V244 I246 M249L162-Y292 HydrophobicContact CG-CE1 4.46Å; I183-Y292 CarbonylContact O-C 3.54Å; I183-Y292 WeakPolarHBondContact O-CA 3.35Å; I184-Y292 HydrophobicContact CD1-CE1 4.36Å; I184-Y292 HydrophobicContact CG1-CD1 3.97Å; I184-Y292 HydrophobicContact CG1-CE1 3.75Å; E243-Y292 CarbonylContact C-O 3.28Å; E243-Y292 WeakPolarHBondContact CA-O 3.33Å; V244-Y292 PolarHBondContact N-O 3.44Å; I246-Y292 HydrophobicContact CD1-CD1 3.35Å; I246-Y292 HydrophobicContact CD1-CD2 3.63Å; I246-Y292 HydrophobicContact CD1-CE1 3.6Å; I246-Y292 HydrophobicContact CD1-CE2 3.89Å; I246-Y292 HydrophobicContact CD1-CG 3.37Å; I246-Y292 HydrophobicContact CG1-CD1 4.39Å; I246-Y292 HydrophobicContact CG1-CD2 3.93Å; I246-Y292 HydrophobicContact CG1-CE2 4.42Å; I246-Y292 HydrophobicContact CG1-CG 3.93Å; M249-Y292 WeakPolarHBondContact CE-OH 3.36Å; M249-Y292 HydrophobicContact SD-CE2 4.19Å; M249-Y292 PolarHBondContact SD-OH 3.03Å
293L94.9Very high78.9Confident0 Ų088.2 Ų88.20%046%0.464CS..EExtended strand (participates in β ladder)trans-114.9154176.7-49.6178000109.6L128 I183 A185 L209 K242 E243 V291L128-L293 HydrophobicContact CD2-CD1 4.09Å; L128-L293 HydrophobicContact CD2-CD2 3.76Å; I183-L293 HydrophobicContact CB-CB 4.21Å; I183-L293 PolarHBondContact N-O 2.96Å; I183-L293 PolarHBondContact O-N 3.33Å; A185-L293 HydrophobicContact CB-CD1 3.78Å; A185-L293 HydrophobicContact CB-CG 4.14Å; L209-L293 HydrophobicContact CD1-CD1 3.82Å; K242-L293 CarbonylContact O-C 3.56Å; K242-L293 VanDerWaalsContact O-CA 3.27Å; K242-L293 WeakPolarHBondContact O-CA 3.47Å; E243-L293 HydrophobicContact CB-CD2 4.18Å; E243-L293 HydrophobicContact CG-CD2 3.45Å; E243-L293 VanDerWaalsContact CG-CD2 3.45Å; V291-L293 HydrophobicContact CG2-CD2 4.18Å; V291-L293 HydrophobicContact CG2-CG 4.5Å
294V94.4Very high81.8Confident2 Ų282.3 Ų82.31%0.01244%0.436CS..EExtended strand (participates in β ladder)trans-127.6144.9164.2-62.30000108.9W177 L182 Y241 K242 V244 T296W177-V294 HydrophobicContact CB-CG1 4.35Å; W177-V294 HydrophobicContact CD2-CG1 3.89Å; W177-V294 HydrophobicContact CE3-CG1 4Å; W177-V294 HydrophobicContact CG-CG1 4.04Å; W177-V294 HydrophobicContact CG-CG2 4.47Å; L182-V294 HydrophobicContact CD2-CG1 3.81Å; Y241-V294 CarbonylContact C-O 3.59Å; Y241-V294 VanDerWaalsContact CA-O 3.22Å; Y241-V294 WeakPolarHBondContact CA-O 3.44Å; K242-V294 HydrophobicContact CD-CG2 4.19Å; K242-V294 VanDerWaalsContact CE-CG2 3.43Å; K242-V294 HydrophobicContact CG-CG2 3.59Å; K242-V294 PolarHBondContact N-O 2.76Å; K242-V294 PolarHBondContact O-N 3.21Å; V244-V294 HydrophobicContact CG1-CB 4.45Å; V244-V294 HydrophobicContact CG1-CG1 4.05Å; V244-V294 HydrophobicContact CG1-CG2 3.63Å; V244-V294 HydrophobicContact CG2-CG1 3.95Å; V294-T296 HydrophobicContact CG2-CG2 4.24Å
295E95Very high84.8Confident104 Ų10476.5 Ų76.549%0.48641%0.409SS..EExtended strand (participates in β ladder)trans-68144170.8-167.1166.2137.500110.2R239 F240 Y241R239-E295 HydrophobicContact CB-CG 4.46Å; R239-E295 WeakPolarHBondContact CD-OE1 3.26Å; R239-E295 WeakPolarHBondContact CD-OE2 3.36Å; F240-E295 CarbonylContact O-C 3.52Å; F240-E295 WeakPolarHBondContact O-CA 3.12Å; F240-E295 WeakPolarHBondContact O-CG 3.21Å; Y241-E295 HydrophobicContact CD1-CB 4.02Å; Y241-E295 HydrophobicContact CD1-CG 4.41Å; Y241-E295 HydrophobicContact CE1-CB 3.7Å; Y241-E295 HydrophobicContact CE1-CG 3.88Å; Y241-E295 PolarHBondContact OH-OE2 2.96Å
296T93.9Very high87.5Confident38 Ų3876.2 Ų76.223%0.23341%0.407CS..EExtended strand (participates in β ladder)trans-138.4162.8178.465.70000111F240 K242 V294F240-T296 PolarHBondContact O-N 3.03Å; K242-T296 HydrophobicContact CB-CG2 4.3Å; K242-T296 HydrophobicContact CD-CG2 3.67Å; K242-T296 HydrophobicContact CG-CG2 3.63Å; V294-T296 HydrophobicContact CG2-CG2 4.24Å
297N94.2Very high89.7Confident149 Ų14968.3 Ų68.380%0.79737%0.372SS*.PPolyproline II helixtrans-61.4164160.4-63.2-30.5000110.4P299N297-P299 WeakPolarHBondContact O-CD 3.44Å
298Q95.9Very high91.8Very high102 Ų10268.2 Ų68.248%0.47737%0.374SS..PPolyproline II helixtrans-50.6127.2169-171.7177.7-67.900110.2F240 Y302F240-Q298 HydrophobicContact CD2-CB 3.89Å; F240-Q298 HydrophobicContact CD2-CG 4.28Å; F240-Q298 HydrophobicContact CE2-CB 3.73Å; F240-Q298 HydrophobicContact CE2-CG 3.76Å; F240-Q298 HydrophobicContact CZ-CB 4.45Å; F240-Q298 HydrophobicContact CZ-CG 4Å; Q298-Y302 HydrophobicContact CG-CD1 3.7Å; Q298-Y302 HydrophobicContact CG-CE1 4.4Å; Q298-Y302 PolarHBondContact NE2-O 3.41Å
299P95.2Very high93.4Very high29 Ų2965 Ų6519%0.18835%0.354CS..PPolyproline II helixtrans-58.5139.9175.5-27.137000111.8P127 N297 D301 Y302P127-P299 HydrophobicContact CB-CG 3.83Å; P127-P299 HydrophobicContact CG-CB 4.37Å; P127-P299 HydrophobicContact CG-CG 3.77Å; N297-P299 WeakPolarHBondContact O-CD 3.44Å; P299-D301 WeakPolarHBondContact CB-OD1 3.39Å; P299-D301 PolarHBondContact O-N 3.4Å; P299-Y302 PolarHBondContact O-N 3.38Å; P299-Y302 VanDerWaalsContact O-O 3.09Å
300S94.8Very high93.8Very high125 Ų12567.4 Ų67.487%0.87436%0.361SS*.THydrogen-bonded Turntrans-67.5-19.3-177.656.60000113.9Y302S300-Y302 VanDerWaalsContact C-N 3.29Å
301D94.2Very high93.9Very high79 Ų7966.3 Ų66.342%0.42236%0.359SS..THydrogen-bonded Turntrans-84.5-0.9174.763.9-30000113R125 P299R125-D301 IonicContact CZ-OD2 3.29Å; R125-D301 VanDerWaalsContact CZ-OD2 3.26Å; R125-D301 IonicContact NH1-OD2 3.11Å; R125-D301 PolarHBondContact NH1-OD2 3.46Å; R125-D301 IonicContact NH2-OD1 2.77Å; R125-D301 PolarHBondContact NH2-OD1 2.75Å; R125-D301 IonicContact NH2-OD2 3.85Å; R125-D301 PolarHBondContact NH2-OD2 3.13Å; P299-D301 WeakPolarHBondContact CB-OD1 3.39Å; P299-D301 PolarHBondContact O-N 3.4Å
302Y96.7Very high93.9Very high22 Ų2267.2 Ų67.29%0.08637%0.365CS..  trans-119.4127.4176.6174.7-104.7000111V102 R125 I126 P127 F240 Q298 P299 S300V102-Y302 HydrophobicContact CB-CE2 4.08Å; V102-Y302 HydrophobicContact CG2-CD2 4.15Å; V102-Y302 HydrophobicContact CG2-CE2 3.77Å; R125-Y302 WeakPolarHBondContact O-CD2 3.49Å; I126-Y302 HydrophobicContact CB-CE2 4.43Å; I126-Y302 HydrophobicContact CG1-CE2 4.18Å; I126-Y302 HydrophobicContact CG2-CE2 4.46Å; P127-Y302 VanDerWaalsContact CD-CD2 3.43Å; P127-Y302 HydrophobicContact CG-CD1 4.04Å; P127-Y302 HydrophobicContact CG-CD2 4.14Å; P127-Y302 HydrophobicContact CG-CG 3.66Å; F240-Y302 HydrophobicContact CE1-CD1 4.21Å; F240-Y302 HydrophobicContact CE1-CE1 4.02Å; F240-Y302 HydrophobicContact CZ-CD1 4.12Å; F240-Y302 AromaticContact CZ-CE1 3.78Å; F240-Y302 HydrophobicContact CZ-CE1 3.78Å; Q298-Y302 HydrophobicContact CG-CD1 3.7Å; Q298-Y302 HydrophobicContact CG-CE1 4.4Å; Q298-Y302 PolarHBondContact NE2-O 3.41Å; P299-Y302 PolarHBondContact O-N 3.38Å; P299-Y302 VanDerWaalsContact O-O 3.09Å; S300-Y302 VanDerWaalsContact C-N 3.29Å
303W95.7Very high94Very high118 Ų11870 Ų7045%0.44739%0.387SS..  trans-151.3154.6163.667.2102.7000108.6A100 P101A100-W303 VanDerWaalsContact CA-NE1 3.3Å; A100-W303 HydrophobicContact CB-CG 4.41Å; A100-W303 VanDerWaalsContact CB-NE1 3.31Å; P101-W303 VanDerWaalsContact CD-CZ2 3.44Å; P101-W303 WeakPolarHBondContact CD-O 3.45Å; P101-W303 HydrophobicContact CG-CD2 4.01Å; P101-W303 HydrophobicContact CG-CE3 3.77Å; P101-W303 HydrophobicContact CG-CH2 4.33Å; P101-W303 HydrophobicContact CG-CZ3 3.93Å; P101-W303 WeakPolarHBondContact CG-O 3.37Å
304C93.8Very high93.8Very high50 Ų5071.8 Ų71.834%0.33840%0.397SS..EExtended strand (participates in β ladder)trans-117.6129.2-178.3-165.60000110.2V102 Y104V102-C304 VanDerWaalsContact O-CA 3.31Å; V102-C304 WeakPolarHBondContact O-CA 3.5Å; Y104-C304 WeakPolarHBondContact CB-SG 3.43Å; Y104-C304 PolarHBondContact N-SG 3.06Å
305E93.1Very high93.1Very high65 Ų6580.2 Ų80.230%0.30445%0.448SS..EExtended strand (participates in β ladder)trans-95136.4171.7-174.6176.775.100110.3S98 A100 V102 A103 Y104S98-E305 WeakPolarHBondContact CA-OE1 3.04Å; S98-E305 WeakPolarHBondContact CB-OE1 2.99Å; S98-E305 VanDerWaalsContact OG-CD 3.26Å; S98-E305 PolarHBondContact OG-OE1 3.18Å; A100-E305 HydrophobicContact CB-CB 3.67Å; V102-E305 PolarHBondContact O-N 3.03Å; V102-E305 VanDerWaalsContact O-N 3.09Å; A103-E305 CarbonylContact C-O 3.55Å; A103-E305 VanDerWaalsContact CA-O 3.23Å; A103-E305 WeakPolarHBondContact CA-O 3.44Å; Y104-E305 PolarHBondContact N-O 2.93Å
306S92.7Very high93Very high107 Ų10779.1 Ų79.175%0.74845%0.446SS*.EExtended strand (participates in β ladder)trans-79.4140.2174.7-57.20000111.3Y104Y104-S306 WeakPolarHBondContact O-CA 3.16Å
307A90.6Very high93Very high14 Ų1481.2 Ų81.212%0.11646%0.457CS..EExtended strand (participates in β ladder)trans-128.1146.8-178.100000110.8W91 Y104 V105W91-A307 HydrophobicContact CH2-CB 3.24Å; W91-A307 HydrophobicContact CZ2-CB 3.32Å; W91-A307 HydrophobicContact CZ3-CB 4.02Å; Y104-A307 PolarHBondContact O-N 3.4Å; V105-A307 HydrophobicContact CB-CB 4.48Å; V105-A307 HydrophobicContact CG2-CB 3.64Å
308E91.8Very high92.9Very high151 Ų15177.4 Ų77.471%0.70644%0.439SS*.  trans-77.8134.3179.2-172.7175.7-166.100111.8N310E308-N310 PolarHBondContact O-N 2.92Å; E308-N310 PolarHBondContact O-ND2 3.01Å
309Y94Very high92.7Very high44 Ų4476 Ų7617%0.17344%0.436CS..  trans-75.4117.4172.3177.1-105.3000110.9V85 V105 H106 I107 G311 P312V85-Y309 WeakPolarHBondContact O-CE2 3.43Å; V105-Y309 HydrophobicContact CG1-CD2 4.03Å; V105-Y309 HydrophobicContact CG1-CG 4.4Å; H106-Y309 WeakPolarHBondContact O-CB 3.47Å; I107-Y309 HydrophobicContact CB-CD2 4.48Å; I107-Y309 HydrophobicContact CD1-CD2 4.42Å; I107-Y309 HydrophobicContact CD1-CE2 4.16Å; I107-Y309 HydrophobicContact CG1-CD2 3.68Å; I107-Y309 HydrophobicContact CG1-CE2 3.82Å; I107-Y309 HydrophobicContact CG1-CG 4.38Å; I107-Y309 HydrophobicContact CG2-CE2 4.29Å; Y309-G311 WeakPolarHBondContact OH-CA 3.3Å; Y309-P312 WeakPolarHBondContact CE1-O 3.37Å; Y309-P312 PolarHBondContact OH-O 3Å
310N91.5Very high92.6Very high124 Ų12478.9 Ų78.966%0.66345%0.452SS*.  trans-111.918.7-179.8-72.8-79.1000112.6E308E308-N310 PolarHBondContact O-N 2.92Å; E308-N310 PolarHBondContact O-ND2 3.01Å
311G93.1Very high92.4Very high21 Ų2175.9 Ų75.922%0.21642%0.424CS..SBendtrans-87.5-175.7-17700000115Y309Y309-G311 WeakPolarHBondContact OH-CA 3.3Å
312P94.5Very high92.3Very high46 Ų4675.6 Ų75.630%0.29942%0.424SS..SBendtrans-59.4152178.5-20.131.7000112.4T3 I5 Y309 I314T3-P312 HydrophobicContact CG2-CB 3.55Å; I5-P312 HydrophobicContact CG2-CB 4.38Å; Y309-P312 WeakPolarHBondContact CE1-O 3.37Å; Y309-P312 PolarHBondContact OH-O 3Å; P312-I314 PolarHBondContact O-N 3.11Å
313S93.4Very high92Very high79 Ų7979.8 Ų79.855%0.55245%0.45SS*.  trans-53.9138.7173.3-173.90000111.3T3 V315T3-S313 PolarHBondContact OG1-O 3.33Å; S313-V315 PolarHBondContact OG-N 2.85Å; S313-V315 PolarHBondContact OG-O 3.34Å
314I90.4Very high91.7Very high38 Ų3876.6 Ų76.620%0.19545%0.45CS..  trans-100.7-10.5177.653.9165.1000112.9I5 I107 M108 P312I5-I314 HydrophobicContact CG1-CG2 4.17Å; I5-I314 HydrophobicContact CG2-CG2 4.14Å; I107-I314 HydrophobicContact CG2-CD1 4.33Å; I107-I314 HydrophobicContact CG2-CG2 3.8Å; I107-I314 WeakPolarHBondContact O-CD1 3.38Å; M108-I314 HydrophobicContact CB-CD1 3.48Å; M108-I314 VanDerWaalsContact CB-CD1 3.48Å; M108-I314 HydrophobicContact CG-CD1 4.1Å; M108-I314 HydrophobicContact SD-CD1 4.04Å; P312-I314 PolarHBondContact O-N 3.11Å
315V80.9Confident91.5Very high180 Ų18079 Ų79100%1.09146%0.46SS*.  trans-102.90172.6-168.80000109.3S313S313-V315 PolarHBondContact OG-N 2.85Å; S313-V315 PolarHBondContact OG-O 3.34Å

Retrieved 315 of 315 residues in 530.5 ms (Link to these results)

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