A0A096MZ66_PAPAN Loading...

Motile sperm domain-containing protein 2

Endoplasmic reticulum-anchored protein that mediates the formation of contact sites between the endoplasmic (ER) and endosomes, mitochondria or Golgi through interaction with conventional- and phosphorylated-FFAT-containing organelle-bound proteins. In addition, forms endoplasmic reticulum (ER)-lipid droplets (LDs) contacts through a direct protein-membrane interaction and participates in LDs homeostasis. The attachment mechanism involves an amphipathic helix that has an affinity for lipid packing defects present at the surface of LDs. Promotes migration of primary monocytes and neutrophils, in response to various chemokines.

AlphaFold DB , UniProt , Accession A0A096MZ66, Species PAPAN (Papio anubis, Olive baboon), Gene MOSPD2, Length 518 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
1M59Low75.7Confident212 Ų212110.9 Ų110.9100%1.04459%0.59SS**  0-51.60-86-172.6-85.900112.1E3 N4 H5M1-E3 PolarHBondContact O-N 3.37Å; M1-N4 PolarHBondContact O-N 2.99Å; M1-N4 VanDerWaalsContact O-N 3.12Å; M1-H5 PolarHBondContact O-N 2.73Å
2A58.2Low77.6Confident82 Ų82104.1 Ų104.168%0.67855%0.554SS**Hα-helixtrans-51-47.2179.200000114.5N4 H5 A6A2-N4 VanDerWaalsContact C-N 3.33Å; A2-N4 PolarHBondContact O-N 2.67Å; A2-H5 WeakPolarHBondContact O-CB 3.38Å; A2-H5 PolarHBondContact O-N 3.1Å; A2-H5 VanDerWaalsContact O-N 3.12Å; A2-A6 PolarHBondContact O-N 3.45Å
3E63.3Low79.1Confident166 Ų16696.2 Ų96.278%0.77651%0.512SS*.Hα-helixtrans-57.5-41.7177.5-65.8173.5128.700113.2M1 H5 A6 Q7M1-E3 PolarHBondContact O-N 3.37Å; E3-H5 VanDerWaalsContact C-N 3.32Å; E3-H5 PolarHBondContact O-N 2.63Å; E3-A6 PolarHBondContact O-N 2.93Å; E3-Q7 VanDerWaalsContact O-CB 3.3Å; E3-Q7 WeakPolarHBondContact O-CB 3.43Å; E3-Q7 PolarHBondContact O-N 3.29Å
4N68.3Low80.5Confident119 Ų11994.5 Ų94.564%0.63651%0.511SS*.Hα-helixtrans-68.1-34.4179.6-161.13.7000111.1M1 A2 N8M1-N4 PolarHBondContact O-N 2.99Å; M1-N4 VanDerWaalsContact O-N 3.12Å; A2-N4 VanDerWaalsContact C-N 3.33Å; A2-N4 PolarHBondContact O-N 2.67Å; N4-N8 WeakPolarHBondContact O-CB 3.49Å; N4-N8 PolarHBondContact O-N 3.24Å
5H71.1Confident81.6Confident131 Ų13192.9 Ų92.961%0.60650%0.499SS*.Hα-helixtrans-67.6-46.7172.6-171.2-90.1000111.8M1 A2 E3 Q7 N8 K9M1-H5 PolarHBondContact O-N 2.73Å; A2-H5 WeakPolarHBondContact O-CB 3.38Å; A2-H5 PolarHBondContact O-N 3.1Å; A2-H5 VanDerWaalsContact O-N 3.12Å; E3-H5 VanDerWaalsContact C-N 3.32Å; E3-H5 PolarHBondContact O-N 2.63Å; H5-Q7 PolarHBondContact O-N 3.3Å; H5-N8 PolarHBondContact O-N 3.05Å; H5-K9 PolarHBondContact O-N 2.96Å
6A72.7Confident82.7Confident56 Ų5687.1 Ų87.146%0.46347%0.468SS..Hα-helixtrans-61-43176.500000112.1A2 E3 N8 K9 A10A2-A6 PolarHBondContact O-N 3.45Å; E3-A6 PolarHBondContact O-N 2.93Å; A6-N8 VanDerWaalsContact C-N 3.34Å; A6-N8 PolarHBondContact O-N 2.91Å; A6-K9 PolarHBondContact O-N 3.44Å; A6-A10 PolarHBondContact O-N 2.96Å
7Q72.4Confident83.6Confident123 Ų12383.8 Ų83.858%0.57545%0.447SS*.Hα-helixtrans-70.1-30.1178.7-162.9172.127.500112.7E3 H5 K11E3-Q7 VanDerWaalsContact O-CB 3.3Å; E3-Q7 WeakPolarHBondContact O-CB 3.43Å; E3-Q7 PolarHBondContact O-N 3.29Å; H5-Q7 PolarHBondContact O-N 3.3Å; Q7-K11 WeakPolarHBondContact O-CG 3.41Å; Q7-K11 PolarHBondContact O-N 3.41Å
8N88.4Confident84.4Confident87 Ų8786.9 Ų86.947%0.46545%0.452SS..Hα-helixtrans-69.8-43.8170.9-16734.7000111.7N4 H5 A6 A10 K11 L12N4-N8 WeakPolarHBondContact O-CB 3.49Å; N4-N8 PolarHBondContact O-N 3.24Å; H5-N8 PolarHBondContact O-N 3.05Å; A6-N8 VanDerWaalsContact C-N 3.34Å; A6-N8 PolarHBondContact O-N 2.91Å; N8-A10 PolarHBondContact O-N 3.32Å; N8-K11 WeakPolarHBondContact O-CB 3.39Å; N8-K11 PolarHBondContact O-N 3.41Å; N8-L12 WeakPolarHBondContact O-CG 3.23Å; N8-L12 PolarHBondContact O-N 2.96Å
9K89.3Confident85.1Confident66 Ų6684.4 Ų84.429%0.28744%0.436SS..Hα-helixtrans-57.4-48.1174.9170.9-179.8165172.40112.1H5 A6 K11 L12 I13 E48H5-K9 PolarHBondContact O-N 2.96Å; A6-K9 PolarHBondContact O-N 3.44Å; K9-K11 VanDerWaalsContact C-N 3.29Å; K9-K11 PolarHBondContact O-N 3.01Å; K9-L12 PolarHBondContact O-N 3.48Å; K9-L12 VanDerWaalsContact O-N 3.16Å; K9-I13 HydrophobicContact CG-CD1 3.9Å; K9-I13 WeakPolarHBondContact O-CG1 3.41Å; K9-I13 PolarHBondContact O-N 3.04Å; K9-E48 WeakPolarHBondContact CD-OE1 3.48Å; K9-E48 WeakPolarHBondContact CE-OE1 3.34Å; K9-E48 WeakPolarHBondContact CE-OE2 3.3Å; K9-E48 IonicContact NZ-OE1 3.6Å; K9-E48 PolarHBondContact NZ-OE1 3.32Å; K9-E48 IonicContact NZ-OE2 2.75Å; K9-E48 PolarHBondContact NZ-OE2 3.09Å
10A94.2Very high85.7Confident48 Ų4880.2 Ų80.240%0.39741%0.414SS..Hα-helixtrans-60.1-37178.500000112.8A6 N8 S14A6-A10 PolarHBondContact O-N 2.96Å; N8-A10 PolarHBondContact O-N 3.32Å; A10-S14 WeakPolarHBondContact O-CB 3.45Å; A10-S14 PolarHBondContact O-N 3.24Å; A10-S14 PolarHBondContact O-OG 3.03Å
11K96.2Very high86.2Confident130 Ų13079.8 Ų79.857%0.56541%0.41SS*.Hα-helixtrans-65.1-44.9173.9-72.3170.4-178176.60112.1Q7 N8 K9 S14 E15Q7-K11 WeakPolarHBondContact O-CG 3.41Å; Q7-K11 PolarHBondContact O-N 3.41Å; N8-K11 WeakPolarHBondContact O-CB 3.39Å; N8-K11 PolarHBondContact O-N 3.41Å; K9-K11 VanDerWaalsContact C-N 3.29Å; K9-K11 PolarHBondContact O-N 3.01Å; K11-S14 PolarHBondContact O-N 3.07Å; K11-E15 VanDerWaalsContact O-CB 3.29Å; K11-E15 WeakPolarHBondContact O-CB 3.37Å; K11-E15 PolarHBondContact O-N 2.96Å
12L97.8Very high87.9Confident29 Ų2972.4 Ų72.415%0.15238%0.383CS..Hα-helixtrans-63.6-41.9178.6-70.8163.4000112.3N8 K9 T16 L51 N56 V58N8-L12 WeakPolarHBondContact O-CG 3.23Å; N8-L12 PolarHBondContact O-N 2.96Å; K9-L12 PolarHBondContact O-N 3.48Å; K9-L12 VanDerWaalsContact O-N 3.16Å; L12-T16 WeakPolarHBondContact O-CB 3.24Å; L12-T16 PolarHBondContact O-N 3.27Å; L12-T16 PolarHBondContact O-OG1 2.78Å; L12-L51 HydrophobicContact CB-CD1 3.89Å; L12-L51 HydrophobicContact CB-CD2 4.28Å; L12-N56 HydrophobicContact CD1-CB 3.84Å; L12-V58 HydrophobicContact CD2-CG2 3.9Å
13I97.8Very high89.7Confident2 Ų272.2 Ų72.21%0.0137%0.368CS..Hα-helixtrans-61.7-50175.3-69.3170.1000110.1K9 E15 T16 R17 D44 V47 L51K9-I13 HydrophobicContact CG-CD1 3.9Å; K9-I13 WeakPolarHBondContact O-CG1 3.41Å; K9-I13 PolarHBondContact O-N 3.04Å; I13-E15 PolarHBondContact O-N 3.16Å; I13-T16 PolarHBondContact O-N 2.94Å; I13-R17 PolarHBondContact O-N 2.7Å; I13-D44 HydrophobicContact CD1-CB 4.23Å; I13-V47 HydrophobicContact CB-CG1 4.24Å; I13-V47 HydrophobicContact CG1-CB 4.35Å; I13-V47 HydrophobicContact CG1-CG1 4.09Å; I13-V47 HydrophobicContact CG2-CB 4.13Å; I13-V47 HydrophobicContact CG2-CG1 4.03Å; I13-V47 HydrophobicContact CG2-CG2 4.4Å; I13-L51 HydrophobicContact CG1-CD1 3.83Å
14S97.8Very high91.1Very high72 Ų7266.2 Ų66.250%0.50334%0.339SS..Hα-helixtrans-60.5-43.4179.5-57.60000112.4A10 K11 R18A10-S14 WeakPolarHBondContact O-CB 3.45Å; A10-S14 PolarHBondContact O-N 3.24Å; A10-S14 PolarHBondContact O-OG 3.03Å; K11-S14 PolarHBondContact O-N 3.07Å; S14-R18 VanDerWaalsContact O-CB 3.32Å; S14-R18 WeakPolarHBondContact O-CB 3.49Å; S14-R18 PolarHBondContact O-N 3.17Å
15E98.1Very high92.3Very high71 Ų7161.5 Ų61.533%0.33231%0.314SS..Hα-helixtrans-68.3-39.2178.6179.461.5-178.200112.1K11 I13 R18 R19K11-E15 VanDerWaalsContact O-CB 3.29Å; K11-E15 WeakPolarHBondContact O-CB 3.37Å; K11-E15 PolarHBondContact O-N 2.96Å; I13-E15 PolarHBondContact O-N 3.16Å; E15-R18 PolarHBondContact O-N 3.19Å; E15-R18 IonicContact OE1-CZ 2.74Å; E15-R18 IonicContact OE1-NE 3.16Å; E15-R18 IonicContact OE1-NH2 3.99Å; E15-R18 PolarHBondContact OE1-NH2 3.16Å; E15-R18 IonicContact OE2-CZ 2.9Å; E15-R18 VanDerWaalsContact OE2-CZ 3.3Å; E15-R18 IonicContact OE2-NE 2.7Å; E15-R18 PolarHBondContact OE2-NE 3.03Å; E15-R18 IonicContact OE2-NH2 2.65Å; E15-R18 PolarHBondContact OE2-NH2 3.01Å; E15-R19 HydrophobicContact CG-CG 4.45Å; E15-R19 WeakPolarHBondContact O-CB 3.49Å; E15-R19 WeakPolarHBondContact O-CG 3.36Å; E15-R19 PolarHBondContact O-N 3.17Å; E15-R19 WeakPolarHBondContact OE1-CD 3.41Å; E15-R19 WeakPolarHBondContact OE1-CG 3.18Å
16T98.4Very high93.1Very high0 Ų058.5 Ų58.50%031%0.305CS..Hα-helixtrans-62.5-47.2176.2-57.10000110.9L12 I13 R19 F20 V47 T61 L62 L65L12-T16 WeakPolarHBondContact O-CB 3.24Å; L12-T16 PolarHBondContact O-N 3.27Å; L12-T16 PolarHBondContact O-OG1 2.78Å; I13-T16 PolarHBondContact O-N 2.94Å; T16-R19 PolarHBondContact O-N 2.93Å; T16-F20 VanDerWaalsContact O-CB 3.29Å; T16-F20 WeakPolarHBondContact O-CB 3.33Å; T16-F20 PolarHBondContact O-N 3.19Å; T16-V47 HydrophobicContact CG2-CG1 4.13Å; T16-T61 HydrophobicContact CG2-CG2 3.91Å; T16-L62 HydrophobicContact CG2-CD2 4.14Å; T16-L65 HydrophobicContact CG2-CD1 3.79Å
17R98.1Very high93.4Very high30 Ų3063.6 Ų63.611%0.11332%0.324CS..Hα-helixtrans-57-51.8174.4-79.6175.3177.7148.14.5112.2I13 R19 F20 E21 L40 Q41 D43 D44 V47I13-R17 PolarHBondContact O-N 2.7Å; R17-R19 PolarHBondContact O-N 2.88Å; R17-F20 PolarHBondContact O-N 3.35Å; R17-E21 WeakPolarHBondContact O-CB 3.49Å; R17-E21 PolarHBondContact O-N 3.31Å; R17-L40 PolarHBondContact NE-O 3.43Å; R17-L40 PolarHBondContact NH2-O 3.47Å; R17-Q41 VanDerWaalsContact CZ-O 3.25Å; R17-Q41 PolarHBondContact NE-O 3.44Å; R17-D43 VanDerWaalsContact NH2-C 3.29Å; R17-D43 PolarHBondContact NH2-O 3.21Å; R17-D44 IonicContact CZ-OD1 2.7Å; R17-D44 IonicContact NH1-OD1 3.84Å; R17-D44 PolarHBondContact NH1-OD1 3.47Å; R17-D44 IonicContact NH2-OD1 3.8Å; R17-D44 PolarHBondContact NH2-OD1 3.1Å; R17-V47 HydrophobicContact CG-CG2 4.44Å
18R97.9Very high93.9Very high140 Ų14062.1 Ų62.153%0.52832%0.316SS..Hα-helixtrans-59.8-43.5-178.8-171.2-165.268.573.1-1.3112.2S14 E15 A22S14-R18 VanDerWaalsContact O-CB 3.32Å; S14-R18 WeakPolarHBondContact O-CB 3.49Å; S14-R18 PolarHBondContact O-N 3.17Å; E15-R18 PolarHBondContact O-N 3.19Å; E15-R18 IonicContact OE1-CZ 2.74Å; E15-R18 IonicContact OE1-NE 3.16Å; E15-R18 IonicContact OE1-NH2 3.99Å; E15-R18 PolarHBondContact OE1-NH2 3.16Å; E15-R18 IonicContact OE2-CZ 2.9Å; E15-R18 VanDerWaalsContact OE2-CZ 3.3Å; E15-R18 IonicContact OE2-NE 2.7Å; E15-R18 PolarHBondContact OE2-NE 3.03Å; E15-R18 IonicContact OE2-NH2 2.65Å; E15-R18 PolarHBondContact OE2-NH2 3.01Å; R18-A22 WeakPolarHBondContact O-CB 3.26Å; R18-A22 PolarHBondContact O-N 2.87Å
19R98Very high93.2Very high40 Ų4063.2 Ų63.215%0.15133%0.331CS..Hα-helixtrans-74.5-37.7179.2-72.9-169.961.5-161.2-11.3112.9E15 T16 R17 A22 E23 D59 L62E15-R19 HydrophobicContact CG-CG 4.45Å; E15-R19 WeakPolarHBondContact O-CB 3.49Å; E15-R19 WeakPolarHBondContact O-CG 3.36Å; E15-R19 PolarHBondContact O-N 3.17Å; E15-R19 WeakPolarHBondContact OE1-CD 3.41Å; E15-R19 WeakPolarHBondContact OE1-CG 3.18Å; T16-R19 PolarHBondContact O-N 2.93Å; R17-R19 PolarHBondContact O-N 2.88Å; R19-A22 PolarHBondContact O-N 3.08Å; R19-E23 IonicContact CZ-OE1 3.23Å; R19-E23 IonicContact CZ-OE2 3.58Å; R19-E23 IonicContact NE-OE1 2.68Å; R19-E23 PolarHBondContact NE-OE1 3.23Å; R19-E23 IonicContact NE-OE2 3.78Å; R19-E23 IonicContact NH2-OE1 2.81Å; R19-E23 PolarHBondContact NH2-OE1 2.83Å; R19-E23 VanDerWaalsContact NH2-OE1 3.13Å; R19-E23 IonicContact NH2-OE2 2.79Å; R19-E23 PolarHBondContact NH2-OE2 3.44Å; R19-E23 VanDerWaalsContact O-CB 3.3Å; R19-E23 WeakPolarHBondContact O-CB 3.44Å; R19-E23 PolarHBondContact O-N 3.13Å; R19-D59 IonicContact CZ-OD1 2.74Å; R19-D59 IonicContact NH1-OD1 2.93Å; R19-D59 PolarHBondContact NH1-OD1 3.39Å; R19-D59 IonicContact NH1-OD2 3.83Å; R19-D59 IonicContact NH2-OD1 3.42Å; R19-D59 PolarHBondContact NH2-OD1 3.38Å; R19-L62 HydrophobicContact CB-CD1 3.72Å; R19-L62 HydrophobicContact CB-CD2 4.19Å
20F97.3Very high93.2Very high0 Ų066.4 Ų66.40%035%0.351CS..Hα-helixtrans-61-46.6175-167.5-99.2000110.9T16 R17 A22 Y24 V25 Y32 L40 L62 L65 F69T16-F20 VanDerWaalsContact O-CB 3.29Å; T16-F20 WeakPolarHBondContact O-CB 3.33Å; T16-F20 PolarHBondContact O-N 3.19Å; R17-F20 PolarHBondContact O-N 3.35Å; F20-A22 PolarHBondContact O-N 2.94Å; F20-Y24 HydrophobicContact CD2-CD2 4.1Å; F20-Y24 HydrophobicContact CD2-CG 4.03Å; F20-Y24 HydrophobicContact CE2-CD1 4.48Å; F20-Y24 HydrophobicContact CE2-CG 4.05Å; F20-Y24 WeakPolarHBondContact O-CA 3.5Å; F20-Y24 VanDerWaalsContact O-CB 3.26Å; F20-Y24 WeakPolarHBondContact O-CB 3.41Å; F20-Y24 PolarHBondContact O-N 3.21Å; F20-V25 HydrophobicContact CD1-CG2 3.71Å; F20-V25 HydrophobicContact CE1-CG2 3.68Å; F20-V25 PolarHBondContact O-N 3.37Å; F20-Y32 HydrophobicContact CE1-CD2 4.39Å; F20-Y32 HydrophobicContact CE1-CE2 4.16Å; F20-Y32 HydrophobicContact CZ-CD2 4.39Å; F20-Y32 HydrophobicContact CZ-CE1 4.44Å; F20-Y32 AromaticContact CZ-CE2 3.94Å; F20-Y32 HydrophobicContact CZ-CE2 3.94Å; F20-L40 HydrophobicContact CB-CD2 4.15Å; F20-L40 HydrophobicContact CD1-CD2 3.45Å; F20-L40 VanDerWaalsContact CD1-CD2 3.45Å; F20-L40 HydrophobicContact CE1-CD2 3.95Å; F20-L40 HydrophobicContact CG-CD2 3.8Å; F20-L62 HydrophobicContact CB-CD2 3.65Å; F20-L62 HydrophobicContact CD2-CD2 4Å; F20-L62 HydrophobicContact CG-CD2 4.34Å; F20-L65 HydrophobicContact CD2-CB 3.97Å; F20-L65 HydrophobicContact CD2-CD1 4.28Å; F20-L65 HydrophobicContact CE2-CB 3.64Å; F20-L65 HydrophobicContact CZ-CB 4.39Å; F20-F69 AromaticContact CE1-CD2 3.85Å; F20-F69 HydrophobicContact CE1-CD2 3.85Å; F20-F69 AromaticContact CE1-CE2 3.93Å; F20-F69 HydrophobicContact CE1-CE2 3.93Å; F20-F69 AromaticContact CZ-CD2 3.7Å; F20-F69 HydrophobicContact CZ-CD2 3.7Å; F20-F69 HydrophobicContact CZ-CE2 4.12Å; F20-F69 HydrophobicContact CZ-CG 4.31Å
21E95.7Very high93.2Very high72 Ų7267 Ų6734%0.33634%0.344SS..Iπ-helixtrans-57.5-49.8176.3-162.962.3-144.400111.9R17 V25 T26 Q41R17-E21 WeakPolarHBondContact O-CB 3.49Å; R17-E21 PolarHBondContact O-N 3.31Å; E21-V25 PolarHBondContact O-N 2.76Å; E21-V25 WeakPolarHBondContact OE1-CG1 3.37Å; E21-T26 PolarHBondContact O-N 2.78Å; E21-T26 PolarHBondContact O-OG1 2.91Å; E21-Q41 PolarHBondContact OE2-NE2 2.71Å
22A95.8Very high93.3Very high57 Ų5761.1 Ų61.147%0.47132%0.319SS..Iπ-helixtrans-71.9-38.5-175.900000114.7R18 R19 F20R18-A22 WeakPolarHBondContact O-CB 3.26Å; R18-A22 PolarHBondContact O-N 2.87Å; R19-A22 PolarHBondContact O-N 3.08Å; F20-A22 PolarHBondContact O-N 2.94Å
23E95.1Very high93.2Very high78 Ų7860.8 Ų60.836%0.36432%0.317SS..Iπ-helixtrans-96.1-30.4-172.8-67.4165.1-141.300112.7R19 K28R19-E23 IonicContact CZ-OE1 3.23Å; R19-E23 IonicContact CZ-OE2 3.58Å; R19-E23 IonicContact NE-OE1 2.68Å; R19-E23 PolarHBondContact NE-OE1 3.23Å; R19-E23 IonicContact NE-OE2 3.78Å; R19-E23 IonicContact NH2-OE1 2.81Å; R19-E23 PolarHBondContact NH2-OE1 2.83Å; R19-E23 VanDerWaalsContact NH2-OE1 3.13Å; R19-E23 IonicContact NH2-OE2 2.79Å; R19-E23 PolarHBondContact NH2-OE2 3.44Å; R19-E23 VanDerWaalsContact O-CB 3.3Å; R19-E23 WeakPolarHBondContact O-CB 3.44Å; R19-E23 PolarHBondContact O-N 3.13Å; E23-K28 PolarHBondContact O-NZ 3.27Å
24Y93.8Very high93.1Very high40 Ų4064.4 Ų64.416%0.15735%0.347CS..Iπ-helixtrans-115.5-32.8-167.7-71-92.6000114.3F20 K28 Y32 L62 D66F20-Y24 HydrophobicContact CD2-CD2 4.1Å; F20-Y24 HydrophobicContact CD2-CG 4.03Å; F20-Y24 HydrophobicContact CE2-CD1 4.48Å; F20-Y24 HydrophobicContact CE2-CG 4.05Å; F20-Y24 WeakPolarHBondContact O-CA 3.5Å; F20-Y24 VanDerWaalsContact O-CB 3.26Å; F20-Y24 WeakPolarHBondContact O-CB 3.41Å; F20-Y24 PolarHBondContact O-N 3.21Å; Y24-K28 WeakPolarHBondContact O-CB 3.48Å; Y24-K28 WeakPolarHBondContact O-CD 3.3Å; Y24-Y32 WeakPolarHBondContact CB-OH 3.29Å; Y24-Y32 VanDerWaalsContact O-CE2 3.25Å; Y24-Y32 WeakPolarHBondContact O-CE2 3.32Å; Y24-Y32 PolarHBondContact O-OH 2.86Å; Y24-Y32 VanDerWaalsContact O-OH 3.13Å; Y24-L62 HydrophobicContact CD2-CB 4.49Å; Y24-L62 HydrophobicContact CE2-CB 3.76Å; Y24-L62 HydrophobicContact CE2-CD1 4.37Å; Y24-L62 HydrophobicContact CE2-CG 4.46Å; Y24-D66 HydrophobicContact CD1-CB 3.62Å; Y24-D66 VanDerWaalsContact CD1-CG 3.48Å; Y24-D66 HydrophobicContact CE1-CB 3.52Å; Y24-D66 WeakPolarHBondContact CE1-OD2 3.47Å
25V92.2Very high93.1Very high19 Ų1966 Ų6612%0.11534%0.342CS..Iπ-helixtrans-96.5-43.4-177.7-175.20000112.2F20 E21 D27 K28 Y32 V37F20-V25 HydrophobicContact CD1-CG2 3.71Å; F20-V25 HydrophobicContact CE1-CG2 3.68Å; F20-V25 PolarHBondContact O-N 3.37Å; E21-V25 PolarHBondContact O-N 2.76Å; E21-V25 WeakPolarHBondContact OE1-CG1 3.37Å; V25-D27 PolarHBondContact O-N 2.78Å; V25-K28 CarbonylContact O-C 3.56Å; V25-K28 WeakPolarHBondContact O-CA 3.45Å; V25-K28 PolarHBondContact O-N 2.9Å; V25-Y32 HydrophobicContact CG2-CD2 4.25Å; V25-Y32 HydrophobicContact CG2-CE2 4.09Å; V25-V37 HydrophobicContact CG1-CG1 4.24Å; V25-V37 HydrophobicContact CG2-CG1 3.99Å; V25-V37 HydrophobicContact CG2-CG2 4.36Å
26T87.3Confident93Very high68 Ų6862.6 Ų62.642%0.41733%0.327SS..THydrogen-bonded Turntrans-54.8131.7178.9-57.10000110.4E21 K28E21-T26 PolarHBondContact O-N 2.78Å; E21-T26 PolarHBondContact O-OG1 2.91Å; T26-K28 PolarHBondContact O-N 2.92Å; T26-K28 VanDerWaalsContact O-N 3.08Å
27D80.4Confident92.9Very high163 Ų16363.6 Ų63.687%0.87233%0.333SS*.THydrogen-bonded Turntrans58.210.1-174.2-54-36.9000116.2V25V25-D27 PolarHBondContact O-N 2.78Å
28K82.9Confident92.8Very high93 Ų9367.5 Ų67.540%0.40435%0.352SS..  trans-134.933.6-174.6-62.1168-168.1158.90112.5E23 Y24 V25 T26 D30 K31E23-K28 PolarHBondContact O-NZ 3.27Å; Y24-K28 WeakPolarHBondContact O-CB 3.48Å; Y24-K28 WeakPolarHBondContact O-CD 3.3Å; V25-K28 CarbonylContact O-C 3.56Å; V25-K28 WeakPolarHBondContact O-CA 3.45Å; V25-K28 PolarHBondContact O-N 2.9Å; T26-K28 PolarHBondContact O-N 2.92Å; T26-K28 VanDerWaalsContact O-N 3.08Å; K28-D30 PolarHBondContact O-N 3.34Å; K28-D30 VanDerWaalsContact O-N 3.1Å; K28-K31 HydrophobicContact CB-CB 4.25Å; K28-K31 VanDerWaalsContact O-CB 3.24Å; K28-K31 WeakPolarHBondContact O-CB 3.41Å; K28-K31 PolarHBondContact O-N 3.21Å
29S73.2Confident92.7Very high110 Ų11064.8 Ų64.877%0.76934%0.342SS*.G310 helixtrans-55.9-30.8-172.855.50000114.7K31S29-K31 VanDerWaalsContact C-N 3.31Å; S29-K31 PolarHBondContact O-N 3.43Å
30D88.5Confident92.6Very high132 Ų13262.9 Ų62.971%0.70634%0.335SS*.G310 helixtrans-85.39175.8-165.540000114.2K28 K73K28-D30 PolarHBondContact O-N 3.34Å; K28-D30 VanDerWaalsContact O-N 3.1Å; D30-K73 VanDerWaalsContact C-NZ 3.33Å; D30-K73 PolarHBondContact O-NZ 3.17Å; D30-K73 IonicContact OD1-NZ 2.63Å; D30-K73 PolarHBondContact OD1-NZ 3.42Å
31K95.3Very high92.6Very high61 Ų6166.3 Ų66.327%0.26535%0.351SS..G310 helixtrans-79.3-26.1176.3-166.1172.8168.5-155.40113.4K28 S29 D66 Q70K28-K31 HydrophobicContact CB-CB 4.25Å; K28-K31 VanDerWaalsContact O-CB 3.24Å; K28-K31 WeakPolarHBondContact O-CB 3.41Å; K28-K31 PolarHBondContact O-N 3.21Å; S29-K31 VanDerWaalsContact C-N 3.31Å; S29-K31 PolarHBondContact O-N 3.43Å; K31-D66 WeakPolarHBondContact CE-OD1 3.45Å; K31-D66 IonicContact NZ-OD1 2.96Å; K31-D66 PolarHBondContact NZ-OD1 3.15Å; K31-D66 IonicContact NZ-OD2 2.65Å; K31-D66 PolarHBondContact NZ-OD2 2.85Å; K31-Q70 HydrophobicContact CG-CG 4.08Å
32Y97.1Very high92.6Very high7 Ų769.1 Ų69.13%0.02736%0.364CS..SBendtrans-126.6173.6-175.4-44.6-57.4000112.2F20 Y24 V25 V37 D66 F69 Q70 K73F20-Y32 HydrophobicContact CE1-CD2 4.39Å; F20-Y32 HydrophobicContact CE1-CE2 4.16Å; F20-Y32 HydrophobicContact CZ-CD2 4.39Å; F20-Y32 HydrophobicContact CZ-CE1 4.44Å; F20-Y32 AromaticContact CZ-CE2 3.94Å; F20-Y32 HydrophobicContact CZ-CE2 3.94Å; Y24-Y32 WeakPolarHBondContact CB-OH 3.29Å; Y24-Y32 VanDerWaalsContact O-CE2 3.25Å; Y24-Y32 WeakPolarHBondContact O-CE2 3.32Å; Y24-Y32 PolarHBondContact O-OH 2.86Å; Y24-Y32 VanDerWaalsContact O-OH 3.13Å; V25-Y32 HydrophobicContact CG2-CD2 4.25Å; V25-Y32 HydrophobicContact CG2-CE2 4.09Å; Y32-V37 HydrophobicContact CD2-CG2 3.94Å; Y32-V37 HydrophobicContact CG-CG2 4.28Å; Y32-D66 VanDerWaalsContact CE1-OD1 3.3Å; Y32-D66 WeakPolarHBondContact CE1-OD1 3.49Å; Y32-D66 PolarHBondContact OH-OD1 2.8Å; Y32-F69 HydrophobicContact CD1-CB 3.42Å; Y32-F69 VanDerWaalsContact CD1-CB 3.42Å; Y32-F69 HydrophobicContact CE1-CB 4.01Å; Y32-F69 HydrophobicContact CG-CB 4Å; Y32-F69 HydrophobicContact CG-CD2 4.35Å; Y32-Q70 HydrophobicContact CD1-CG 4.41Å; Y32-Q70 HydrophobicContact CE1-CG 4.09Å; Y32-K73 PolarHBondContact O-NZ 3.27Å
33D97Very high92.5Very high22 Ų2268.2 Ų68.212%0.11835%0.351CS..  trans-82.5129.8162.9-173.6-34000108.4R35 D36 V37 N78D33-R35 PolarHBondContact O-N 2.74Å; D33-R35 WeakPolarHBondContact OD1-CB 3.42Å; D33-R35 WeakPolarHBondContact OD1-CG 3.21Å; D33-R35 IonicContact OD1-CZ 3.76Å; D33-R35 PolarHBondContact OD1-N 2.7Å; D33-R35 IonicContact OD1-NE 3.31Å; D33-R35 PolarHBondContact OD1-NE 2.76Å; D33-R35 IonicContact OD1-NH2 3.4Å; D33-R35 IonicContact OD2-CZ 2.67Å; D33-R35 VanDerWaalsContact OD2-CZ 3.31Å; D33-R35 IonicContact OD2-NE 3.16Å; D33-R35 PolarHBondContact OD2-NE 3.06Å; D33-R35 VanDerWaalsContact OD2-NE 3.16Å; D33-R35 IonicContact OD2-NH2 2.78Å; D33-R35 PolarHBondContact OD2-NH2 3.28Å; D33-D36 PolarHBondContact O-N 3.41Å; D33-D36 VanDerWaalsContact O-N 3.1Å; D33-V37 PolarHBondContact O-N 3.24Å; D33-N78 PolarHBondContact OD2-ND2 2.92Å; D33-N78 VanDerWaalsContact OD2-ND2 3.07Å
34A95.8Very high92.5Very high78 Ų7868 Ų6865%0.64535%0.352SS*.Hα-helixtrans-58.7-30.7-178.800000112.6D36 V37 E38A34-D36 VanDerWaalsContact C-N 3.33Å; A34-D36 PolarHBondContact O-N 2.97Å; A34-V37 PolarHBondContact O-N 3.43Å; A34-E38 WeakPolarHBondContact O-CB 3.29Å; A34-E38 PolarHBondContact O-N 2.74Å
35R97.1Very high92.3Very high104 Ų10470.9 Ų70.939%0.39237%0.37SS..Hα-helixtrans-66.1-34.3178.1-63.9170.8-73.6-168.3-4112.4D33 R39 D79D33-R35 PolarHBondContact O-N 2.74Å; D33-R35 WeakPolarHBondContact OD1-CB 3.42Å; D33-R35 WeakPolarHBondContact OD1-CG 3.21Å; D33-R35 IonicContact OD1-CZ 3.76Å; D33-R35 PolarHBondContact OD1-N 2.7Å; D33-R35 IonicContact OD1-NE 3.31Å; D33-R35 PolarHBondContact OD1-NE 2.76Å; D33-R35 IonicContact OD1-NH2 3.4Å; D33-R35 IonicContact OD2-CZ 2.67Å; D33-R35 VanDerWaalsContact OD2-CZ 3.31Å; D33-R35 IonicContact OD2-NE 3.16Å; D33-R35 PolarHBondContact OD2-NE 3.06Å; D33-R35 VanDerWaalsContact OD2-NE 3.16Å; D33-R35 IonicContact OD2-NH2 2.78Å; D33-R35 PolarHBondContact OD2-NH2 3.28Å; R35-R39 VanDerWaalsContact O-CB 3.23Å; R35-R39 WeakPolarHBondContact O-CB 3.49Å; R35-R39 PolarHBondContact O-N 3.42Å; R35-D79 IonicContact CZ-OD1 3.19Å; R35-D79 IonicContact CZ-OD2 2.75Å; R35-D79 IonicContact NH1-OD1 2.73Å; R35-D79 PolarHBondContact NH1-OD1 2.65Å; R35-D79 IonicContact NH1-OD2 3.84Å; R35-D79 VanDerWaalsContact NH2-CG 3.29Å; R35-D79 IonicContact NH2-OD1 3.81Å; R35-D79 PolarHBondContact NH2-OD1 3.49Å; R35-D79 VanDerWaalsContact NH2-OD1 3.16Å; R35-D79 IonicContact NH2-OD2 2.73Å; R35-D79 PolarHBondContact NH2-OD2 3.33Å
36D96.9Very high92.2Very high1 Ų171.1 Ų71.11%0.00537%0.369CS..Hα-helixtrans-74.3-39.1176.6-67.9-35.8000111.1D33 A34 R39 L40 W46 F69 R72 N78D33-D36 PolarHBondContact O-N 3.41Å; D33-D36 VanDerWaalsContact O-N 3.1Å; A34-D36 VanDerWaalsContact C-N 3.33Å; A34-D36 PolarHBondContact O-N 2.97Å; D36-R39 PolarHBondContact O-N 2.79Å; D36-L40 WeakPolarHBondContact O-CB 3.39Å; D36-L40 PolarHBondContact O-N 2.93Å; D36-W46 HydrophobicContact CB-CH2 4.18Å; D36-W46 WeakPolarHBondContact O-CZ3 3.41Å; D36-F69 HydrophobicContact CB-CD1 4.49Å; D36-F69 HydrophobicContact CB-CD2 4.02Å; D36-F69 HydrophobicContact CB-CE1 4.41Å; D36-F69 HydrophobicContact CB-CE2 3.93Å; D36-F69 HydrophobicContact CB-CG 4.3Å; D36-F69 HydrophobicContact CB-CZ 4.11Å; D36-F69 WeakPolarHBondContact O-CE2 3.4Å; D36-F69 WeakPolarHBondContact O-CZ 3.47Å; D36-R72 VanDerWaalsContact CG-NE 3.3Å; D36-R72 IonicContact OD1-CZ 3.55Å; D36-R72 IonicContact OD1-NE 2.78Å; D36-R72 PolarHBondContact OD1-NE 3.07Å; D36-R72 IonicContact OD1-NH2 3.4Å; D36-R72 PolarHBondContact OD1-NH2 2.93Å; D36-R72 WeakPolarHBondContact OD2-CB 3.33Å; D36-R72 IonicContact OD2-NE 3.28Å; D36-R72 PolarHBondContact OD2-NE 3.47Å; D36-N78 PolarHBondContact OD1-ND2 2.69Å; D36-N78 PolarHBondContact OD1-OD1 2.86Å; D36-N78 PolarHBondContact OD2-ND2 3.06Å
37V96.3Very high92.6Very high21 Ų2167.9 Ų67.913%0.12735%0.349CS..Hα-helixtrans-64.1-46.5174.6-178.80000110.8V25 Y32 D33 A34 L40 Q41 F69V25-V37 HydrophobicContact CG1-CG1 4.24Å; V25-V37 HydrophobicContact CG2-CG1 3.99Å; V25-V37 HydrophobicContact CG2-CG2 4.36Å; Y32-V37 HydrophobicContact CD2-CG2 3.94Å; Y32-V37 HydrophobicContact CG-CG2 4.28Å; D33-V37 PolarHBondContact O-N 3.24Å; A34-V37 PolarHBondContact O-N 3.43Å; V37-L40 WeakPolarHBondContact O-CB 3.35Å; V37-L40 PolarHBondContact O-N 3.21Å; V37-Q41 PolarHBondContact O-N 2.76Å; V37-F69 HydrophobicContact CG2-CD2 4.39Å; V37-F69 HydrophobicContact CG2-CE2 4.49Å
38E96.2Very high93.2Very high112 Ų11262.6 Ų62.652%0.52332%0.32SS..Hα-helixtrans-60-48.9175.3179.3175.4-163.100111.5A34 L40 Q41 Q42A34-E38 WeakPolarHBondContact O-CB 3.29Å; A34-E38 PolarHBondContact O-N 2.74Å; E38-L40 VanDerWaalsContact C-N 3.27Å; E38-L40 PolarHBondContact O-N 3.18Å; E38-Q41 WeakPolarHBondContact O-CB 3.44Å; E38-Q41 PolarHBondContact O-N 3.01Å; E38-Q42 PolarHBondContact O-N 2.88Å; E38-Q42 PolarHBondContact OE1-NE2 3.4Å
39R95.5Very high93.6Very high82 Ų8259.1 Ų59.131%0.30931%0.307SS..Hα-helixtrans-58.2-39.4177.5-177-176.1174.2-170.2-0.5111.8R35 D36 Q41 Q42 D43 W46R35-R39 VanDerWaalsContact O-CB 3.23Å; R35-R39 WeakPolarHBondContact O-CB 3.49Å; R35-R39 PolarHBondContact O-N 3.42Å; D36-R39 PolarHBondContact O-N 2.79Å; R39-Q41 PolarHBondContact O-N 3.3Å; R39-Q42 PolarHBondContact O-N 3.01Å; R39-D43 HydrophobicContact CG-CB 3.91Å; R39-D43 IonicContact CZ-OD2 3.23Å; R39-D43 VanDerWaalsContact CZ-OD2 3.28Å; R39-D43 IonicContact NE-OD2 2.73Å; R39-D43 PolarHBondContact NE-OD2 3.04Å; R39-D43 IonicContact NH2-OD2 3.82Å; R39-D43 PolarHBondContact NH2-OD2 3.43Å; R39-D43 WeakPolarHBondContact O-CB 3.38Å; R39-D43 PolarHBondContact O-N 3.26Å; R39-W46 HydrophobicContact CB-CE3 4.24Å; R39-W46 HydrophobicContact CB-CZ3 3.86Å; R39-W46 HydrophobicContact CG-CE3 3.7Å; R39-W46 HydrophobicContact CG-CZ3 3.78Å
40L96.3Very high94.6Very high0 Ų053.9 Ų53.90%027%0.27CS..Hα-helixtrans-57.3-36.2177.4-167.570.6000111.9R17 F20 D36 V37 E38 W46 V47 L65 F69R17-L40 PolarHBondContact NE-O 3.43Å; R17-L40 PolarHBondContact NH2-O 3.47Å; F20-L40 HydrophobicContact CB-CD2 4.15Å; F20-L40 HydrophobicContact CD1-CD2 3.45Å; F20-L40 VanDerWaalsContact CD1-CD2 3.45Å; F20-L40 HydrophobicContact CE1-CD2 3.95Å; F20-L40 HydrophobicContact CG-CD2 3.8Å; D36-L40 WeakPolarHBondContact O-CB 3.39Å; D36-L40 PolarHBondContact O-N 2.93Å; V37-L40 WeakPolarHBondContact O-CB 3.35Å; V37-L40 PolarHBondContact O-N 3.21Å; E38-L40 VanDerWaalsContact C-N 3.27Å; E38-L40 PolarHBondContact O-N 3.18Å; L40-W46 HydrophobicContact CB-CZ3 4.43Å; L40-W46 HydrophobicContact CD1-CE3 4.35Å; L40-V47 HydrophobicContact CD1-CG2 3.72Å; L40-V47 HydrophobicContact CG-CG2 4.19Å; L40-V47 VanDerWaalsContact O-CG2 3.3Å; L40-V47 WeakPolarHBondContact O-CG2 3.26Å; L40-L65 HydrophobicContact CD1-CD1 4.14Å; L40-L65 HydrophobicContact CD1-CD2 3.69Å; L40-L65 HydrophobicContact CD2-CD1 4.28Å; L40-F69 HydrophobicContact CB-CE2 4.15Å; L40-F69 HydrophobicContact CB-CZ 3.97Å; L40-F69 HydrophobicContact CD1-CZ 3.95Å; L40-F69 HydrophobicContact CD2-CE2 4.12Å; L40-F69 HydrophobicContact CD2-CZ 4.2Å; L40-F69 HydrophobicContact CG-CZ 4.26Å
41Q96.4Very high95Very high72 Ų7247.7 Ų47.734%0.33624%0.237SC..Hα-helixtrans-75-22.7178.6-57.3-61.4-11.100113.4R17 E21 V37 E38 R39R17-Q41 VanDerWaalsContact CZ-O 3.25Å; R17-Q41 PolarHBondContact NE-O 3.44Å; E21-Q41 PolarHBondContact OE2-NE2 2.71Å; V37-Q41 PolarHBondContact O-N 2.76Å; E38-Q41 WeakPolarHBondContact O-CB 3.44Å; E38-Q41 PolarHBondContact O-N 3.01Å; R39-Q41 PolarHBondContact O-N 3.3Å
42Q96.1Very high94.8Very high132 Ų13247 Ų4762%0.61724%0.24SC*.Hα-helixtrans-104-29.9-173.7-63174.87.800114E38 R39E38-Q42 PolarHBondContact O-N 2.88Å; E38-Q42 PolarHBondContact OE1-NE2 3.4Å; R39-Q42 PolarHBondContact O-N 3.01Å
43D93.4Very high94.6Very high37 Ų3750.2 Ų50.220%0.19825%0.252CS..  trans-103.592.8-170.2-171.9-18.1000111.7R17 R39 N45 W46 V47R17-D43 VanDerWaalsContact NH2-C 3.29Å; R17-D43 PolarHBondContact NH2-O 3.21Å; R39-D43 HydrophobicContact CG-CB 3.91Å; R39-D43 IonicContact CZ-OD2 3.23Å; R39-D43 VanDerWaalsContact CZ-OD2 3.28Å; R39-D43 IonicContact NE-OD2 2.73Å; R39-D43 PolarHBondContact NE-OD2 3.04Å; R39-D43 IonicContact NH2-OD2 3.82Å; R39-D43 PolarHBondContact NH2-OD2 3.43Å; R39-D43 WeakPolarHBondContact O-CB 3.38Å; R39-D43 PolarHBondContact O-N 3.26Å; D43-N45 VanDerWaalsContact C-N 3.3Å; D43-N45 PolarHBondContact O-N 2.9Å; D43-N45 PolarHBondContact OD1-N 3.42Å; D43-W46 HydrophobicContact CB-CB 3.93Å; D43-W46 PolarHBondContact O-N 3.29Å; D43-W46 PolarHBondContact OD1-N 3.38Å; D43-W46 WeakPolarHBondContact OD2-CB 3.3Å; D43-V47 WeakPolarHBondContact O-CG2 3.25Å; D43-V47 PolarHBondContact O-N 2.8Å
44D94.1Very high94.5Very high73 Ų7351.9 Ų51.939%0.3926%0.257SS..Hα-helixtrans-60.5-36.9178.7-86.530.7000112.9I13 R17 W46 V47 E48I13-D44 HydrophobicContact CD1-CB 4.23Å; R17-D44 IonicContact CZ-OD1 2.7Å; R17-D44 IonicContact NH1-OD1 3.84Å; R17-D44 PolarHBondContact NH1-OD1 3.47Å; R17-D44 IonicContact NH2-OD1 3.8Å; R17-D44 PolarHBondContact NH2-OD1 3.1Å; D44-W46 VanDerWaalsContact C-N 3.34Å; D44-V47 PolarHBondContact O-N 2.88Å; D44-E48 WeakPolarHBondContact O-CB 3.38Å; D44-E48 PolarHBondContact O-N 3.25Å
45N90Very high94.3Very high101 Ų10154.9 Ų54.954%0.5426%0.257SS..Hα-helixtrans-68-37.9-179.1-66.2-35000110.8D43 E48 S49D43-N45 VanDerWaalsContact C-N 3.3Å; D43-N45 PolarHBondContact O-N 2.9Å; D43-N45 PolarHBondContact OD1-N 3.42Å; N45-E48 PolarHBondContact O-N 3.23Å; N45-S49 PolarHBondContact O-N 2.91Å
46W91.1Very high94.3Very high24 Ų2453.6 Ų53.69%0.09126%0.258CS..Hα-helixtrans-66.4-46.7175.3-161.342.5000111.2D36 R39 L40 D43 D44 E48 S49 Y50 F69D36-W46 HydrophobicContact CB-CH2 4.18Å; D36-W46 WeakPolarHBondContact O-CZ3 3.41Å; R39-W46 HydrophobicContact CB-CE3 4.24Å; R39-W46 HydrophobicContact CB-CZ3 3.86Å; R39-W46 HydrophobicContact CG-CE3 3.7Å; R39-W46 HydrophobicContact CG-CZ3 3.78Å; L40-W46 HydrophobicContact CB-CZ3 4.43Å; L40-W46 HydrophobicContact CD1-CE3 4.35Å; D43-W46 HydrophobicContact CB-CB 3.93Å; D43-W46 PolarHBondContact O-N 3.29Å; D43-W46 PolarHBondContact OD1-N 3.38Å; D43-W46 WeakPolarHBondContact OD2-CB 3.3Å; D44-W46 VanDerWaalsContact C-N 3.34Å; W46-E48 VanDerWaalsContact C-N 3.34Å; W46-E48 PolarHBondContact O-N 3.2Å; W46-S49 WeakPolarHBondContact O-CB 3.17Å; W46-S49 PolarHBondContact O-N 3.36Å; W46-S49 VanDerWaalsContact O-N 3.11Å; W46-S49 PolarHBondContact O-OG 3.17Å; W46-Y50 AromaticContact CD1-CE2 3.86Å; W46-Y50 HydrophobicContact CD2-CE2 4.24Å; W46-Y50 AromaticContact CE2-CE2 3.86Å; W46-Y50 HydrophobicContact CG-CE2 4.27Å; W46-Y50 HydrophobicContact CZ2-CE2 4.44Å; W46-Y50 AromaticContact NE1-CE2 3.59Å; W46-Y50 VanDerWaalsContact O-CD2 3.27Å; W46-Y50 WeakPolarHBondContact O-CD2 3.17Å; W46-Y50 PolarHBondContact O-N 2.77Å; W46-F69 HydrophobicContact CE3-CZ 4.48Å; W46-F69 HydrophobicContact CH2-CD1 4.4Å; W46-F69 AromaticContact CH2-CE1 3.37Å; W46-F69 HydrophobicContact CH2-CE1 3.37Å; W46-F69 AromaticContact CH2-CZ 3.51Å; W46-F69 HydrophobicContact CH2-CZ 3.51Å; W46-F69 AromaticContact CZ2-CE1 3.9Å; W46-F69 HydrophobicContact CZ2-CE1 3.9Å; W46-F69 HydrophobicContact CZ2-CZ 4.42Å; W46-F69 AromaticContact CZ3-CE1 3.86Å; W46-F69 HydrophobicContact CZ3-CE1 3.86Å; W46-F69 AromaticContact CZ3-CZ 3.54Å; W46-F69 HydrophobicContact CZ3-CZ 3.54Å
47V94.9Very high94.2Very high0 Ų057.7 Ų57.70%028%0.279CS..Hα-helixtrans-59.5-43.5174.9-175.60000111.4I13 T16 R17 L40 D43 D44 S49 Y50 L51I13-V47 HydrophobicContact CB-CG1 4.24Å; I13-V47 HydrophobicContact CG1-CB 4.35Å; I13-V47 HydrophobicContact CG1-CG1 4.09Å; I13-V47 HydrophobicContact CG2-CB 4.13Å; I13-V47 HydrophobicContact CG2-CG1 4.03Å; I13-V47 HydrophobicContact CG2-CG2 4.4Å; T16-V47 HydrophobicContact CG2-CG1 4.13Å; R17-V47 HydrophobicContact CG-CG2 4.44Å; L40-V47 HydrophobicContact CD1-CG2 3.72Å; L40-V47 HydrophobicContact CG-CG2 4.19Å; L40-V47 VanDerWaalsContact O-CG2 3.3Å; L40-V47 WeakPolarHBondContact O-CG2 3.26Å; D43-V47 WeakPolarHBondContact O-CG2 3.25Å; D43-V47 PolarHBondContact O-N 2.8Å; D44-V47 PolarHBondContact O-N 2.88Å; V47-S49 VanDerWaalsContact C-N 3.3Å; V47-S49 PolarHBondContact O-N 3.45Å; V47-Y50 PolarHBondContact O-N 2.99Å; V47-L51 HydrophobicContact CG1-CD1 3.98Å; V47-L51 HydrophobicContact CG1-CG 4.47Å; V47-L51 PolarHBondContact O-N 3.03Å
48E92.4Very high94.3Very high53 Ų5357.7 Ų57.725%0.24828%0.279CS..Hα-helixtrans-60-38.2175.2175.7175-137.700112.5K9 D44 N45 W46 Y50 L51 S52K9-E48 WeakPolarHBondContact CD-OE1 3.48Å; K9-E48 WeakPolarHBondContact CE-OE1 3.34Å; K9-E48 WeakPolarHBondContact CE-OE2 3.3Å; K9-E48 IonicContact NZ-OE1 3.6Å; K9-E48 PolarHBondContact NZ-OE1 3.32Å; K9-E48 IonicContact NZ-OE2 2.75Å; K9-E48 PolarHBondContact NZ-OE2 3.09Å; D44-E48 WeakPolarHBondContact O-CB 3.38Å; D44-E48 PolarHBondContact O-N 3.25Å; N45-E48 PolarHBondContact O-N 3.23Å; W46-E48 VanDerWaalsContact C-N 3.34Å; W46-E48 PolarHBondContact O-N 3.2Å; E48-Y50 VanDerWaalsContact C-N 3.32Å; E48-Y50 PolarHBondContact O-N 3.17Å; E48-L51 PolarHBondContact O-N 2.88Å; E48-S52 VanDerWaalsContact O-CB 3.25Å; E48-S52 WeakPolarHBondContact O-CB 3.48Å; E48-S52 PolarHBondContact O-N 3.36Å
49S91.6Very high94.4Very high19 Ų1956 Ų5613%0.13327%0.274CS..Hα-helixtrans-58.8-44.4-179.476.40000111.6N45 W46 V47 W53N45-S49 PolarHBondContact O-N 2.91Å; W46-S49 WeakPolarHBondContact O-CB 3.17Å; W46-S49 PolarHBondContact O-N 3.36Å; W46-S49 VanDerWaalsContact O-N 3.11Å; W46-S49 PolarHBondContact O-OG 3.17Å; V47-S49 VanDerWaalsContact C-N 3.3Å; V47-S49 PolarHBondContact O-N 3.45Å; S49-W53 WeakPolarHBondContact O-CB 3.4Å; S49-W53 PolarHBondContact O-N 2.82Å
50Y95.1Very high94.5Very high0 Ų055.9 Ų55.90%028%0.277CS..Hα-helixtrans-69-48.2174.2-69.5-87.1000112.3W46 V47 E48 S52 W53 R54 M64 L65 S68 P176W46-Y50 AromaticContact CD1-CE2 3.86Å; W46-Y50 HydrophobicContact CD2-CE2 4.24Å; W46-Y50 AromaticContact CE2-CE2 3.86Å; W46-Y50 HydrophobicContact CG-CE2 4.27Å; W46-Y50 HydrophobicContact CZ2-CE2 4.44Å; W46-Y50 AromaticContact NE1-CE2 3.59Å; W46-Y50 VanDerWaalsContact O-CD2 3.27Å; W46-Y50 WeakPolarHBondContact O-CD2 3.17Å; W46-Y50 PolarHBondContact O-N 2.77Å; V47-Y50 PolarHBondContact O-N 2.99Å; E48-Y50 VanDerWaalsContact C-N 3.32Å; E48-Y50 PolarHBondContact O-N 3.17Å; Y50-S52 PolarHBondContact O-N 2.9Å; Y50-W53 PolarHBondContact O-N 2.87Å; Y50-R54 PolarHBondContact O-N 2.92Å; Y50-M64 HydrophobicContact CD1-CE 3.55Å; Y50-M64 HydrophobicContact CD1-CG 3.82Å; Y50-M64 HydrophobicContact CD1-SD 3.72Å; Y50-M64 HydrophobicContact CE1-CE 3.84Å; Y50-M64 HydrophobicContact CE1-CG 4.17Å; Y50-M64 HydrophobicContact CE1-SD 4.43Å; Y50-L65 HydrophobicContact CD1-CD2 3.93Å; Y50-L65 HydrophobicContact CD1-CG 4.25Å; Y50-L65 HydrophobicContact CD2-CD2 3.48Å; Y50-L65 VanDerWaalsContact CD2-CD2 3.48Å; Y50-L65 HydrophobicContact CD2-CG 4.42Å; Y50-L65 HydrophobicContact CE1-CD2 4.04Å; Y50-L65 HydrophobicContact CE2-CD2 3.6Å; Y50-L65 HydrophobicContact CG-CD2 3.67Å; Y50-L65 HydrophobicContact CG-CG 4.15Å; Y50-S68 PolarHBondContact OH-OG 2.94Å; Y50-P176 HydrophobicContact CD1-CG 3.91Å; Y50-P176 HydrophobicContact CD2-CG 4.29Å; Y50-P176 HydrophobicContact CE1-CG 3.98Å; Y50-P176 HydrophobicContact CE2-CG 4.37Å; Y50-P176 HydrophobicContact CG-CG 4.05Å
51L95.6Very high94.6Very high3 Ų355.9 Ų55.92%0.01628%0.277CS..Hα-helixtrans-54.4-53.9179.5-88.8169000111.4L12 I13 V47 E48 W53 R54 H55 N56 V58 T61L12-L51 HydrophobicContact CB-CD1 3.89Å; L12-L51 HydrophobicContact CB-CD2 4.28Å; I13-L51 HydrophobicContact CG1-CD1 3.83Å; V47-L51 HydrophobicContact CG1-CD1 3.98Å; V47-L51 HydrophobicContact CG1-CG 4.47Å; V47-L51 PolarHBondContact O-N 3.03Å; E48-L51 PolarHBondContact O-N 2.88Å; L51-W53 VanDerWaalsContact C-N 3.32Å; L51-W53 PolarHBondContact O-N 3.13Å; L51-R54 CarbonylContact O-C 3.58Å; L51-R54 WeakPolarHBondContact O-CA 3.5Å; L51-R54 PolarHBondContact O-N 2.7Å; L51-H55 PolarHBondContact O-N 2.59Å; L51-H55 VanDerWaalsContact O-N 3.11Å; L51-N56 WeakPolarHBondContact O-CA 3.33Å; L51-N56 PolarHBondContact O-N 2.89Å; L51-V58 HydrophobicContact CD2-CG2 4.33Å; L51-T61 HydrophobicContact CD2-CG2 4.11Å; L51-T61 HydrophobicContact CG-CG2 4.03Å
52S92.3Very high94.7Very high47 Ų4752.5 Ų52.533%0.32926%0.261SS..Hα-helixtrans-66.8-33.7-177.4168.70000112.1E48 Y50 R54 H55 K177E48-S52 VanDerWaalsContact O-CB 3.25Å; E48-S52 WeakPolarHBondContact O-CB 3.48Å; E48-S52 PolarHBondContact O-N 3.36Å; Y50-S52 PolarHBondContact O-N 2.9Å; S52-R54 PolarHBondContact O-N 2.77Å; S52-H55 PolarHBondContact O-N 2.82Å; S52-H55 VanDerWaalsContact O-N 3.15Å; S52-K177 VanDerWaalsContact CB-CE 3.44Å; S52-K177 WeakPolarHBondContact OG-CE 3.46Å; S52-K177 PolarHBondContact OG-NZ 2.63Å
53W92.6Very high94.7Very high73 Ų7351.2 Ų51.228%0.27725%0.253SS..Hα-helixtrans-71-12.4172.2-169-104.2000113.9S49 Y50 L51 M64 F171 K172 P176 K177S49-W53 WeakPolarHBondContact O-CB 3.4Å; S49-W53 PolarHBondContact O-N 2.82Å; Y50-W53 PolarHBondContact O-N 2.87Å; L51-W53 VanDerWaalsContact C-N 3.32Å; L51-W53 PolarHBondContact O-N 3.13Å; W53-M64 HydrophobicContact CG-CE 4.25Å; W53-F171 VanDerWaalsContact CZ2-O 3.29Å; W53-F171 WeakPolarHBondContact CZ2-O 3.22Å; W53-K172 PolarHBondContact NE1-O 3.05Å; W53-P176 HydrophobicContact CB-CB 3.71Å; W53-P176 HydrophobicContact CD2-CB 4.05Å; W53-P176 HydrophobicContact CG-CB 3.67Å; W53-K177 HydrophobicContact CE3-CG 4.04Å
54R94.1Very high94.9Very high57 Ų5749.6 Ų49.622%0.21525%0.245CC..THydrogen-bonded Turntrans-114.125.3170.8-66-66.1179.9-101.3-2.2112Y50 L51 S52 N56 I57 E60 M64 K172Y50-R54 PolarHBondContact O-N 2.92Å; L51-R54 CarbonylContact O-C 3.58Å; L51-R54 WeakPolarHBondContact O-CA 3.5Å; L51-R54 PolarHBondContact O-N 2.7Å; S52-R54 PolarHBondContact O-N 2.77Å; R54-N56 PolarHBondContact O-N 2.99Å; R54-N56 VanDerWaalsContact O-N 3.16Å; R54-I57 VanDerWaalsContact O-CB 3.3Å; R54-I57 WeakPolarHBondContact O-CB 3.11Å; R54-I57 WeakPolarHBondContact O-CG1 3.37Å; R54-I57 PolarHBondContact O-N 3.24Å; R54-E60 HydrophobicContact CB-CB 4.28Å; R54-E60 HydrophobicContact CG-CB 4.31Å; R54-M64 HydrophobicContact CG-SD 3.84Å; R54-M64 PolarHBondContact NE-SD 3.48Å; R54-M64 VanDerWaalsContact NE-SD 3.44Å; R54-M64 PolarHBondContact NH2-SD 2.84Å; R54-K172 PolarHBondContact NH2-O 2.9Å
55H93.3Very high95.1Very high142 Ų14246.1 Ų46.166%0.65723%0.226SC*.THydrogen-bonded Turntrans54.533.9175.4-53.296.7000113.7L51 S52 I57L51-H55 PolarHBondContact O-N 2.59Å; L51-H55 VanDerWaalsContact O-N 3.11Å; S52-H55 PolarHBondContact O-N 2.82Å; S52-H55 VanDerWaalsContact O-N 3.15Å; H55-I57 PolarHBondContact O-N 2.93Å
56N95.1Very high95.5Very high76 Ų7642.5 Ų42.541%0.40621%0.207SC..THydrogen-bonded Turntrans62.619.2-175.1-58.1-41.2000114.9L12 L51 R54 V58L12-N56 HydrophobicContact CD1-CB 3.84Å; L51-N56 WeakPolarHBondContact O-CA 3.33Å; L51-N56 PolarHBondContact O-N 2.89Å; R54-N56 PolarHBondContact O-N 2.99Å; R54-N56 VanDerWaalsContact O-N 3.16Å; N56-V58 PolarHBondContact O-N 2.94Å
57I96.5Very high95.8Very high88 Ų8845.5 Ų45.545%0.45122%0.221SC..  trans-83.8105.9175.5-55.6172.9000108.9R54 H55 D59 E60 T61R54-I57 VanDerWaalsContact O-CB 3.3Å; R54-I57 WeakPolarHBondContact O-CB 3.11Å; R54-I57 WeakPolarHBondContact O-CG1 3.37Å; R54-I57 PolarHBondContact O-N 3.24Å; H55-I57 PolarHBondContact O-N 2.93Å; I57-D59 PolarHBondContact O-N 3.37Å; I57-E60 HydrophobicContact CB-CB 4.45Å; I57-E60 HydrophobicContact CG2-CB 4.25Å; I57-E60 HydrophobicContact CG2-CG 3.93Å; I57-E60 PolarHBondContact O-N 2.88Å; I57-T61 WeakPolarHBondContact O-CB 3.42Å; I57-T61 PolarHBondContact O-N 3.05Å; I57-T61 PolarHBondContact O-OG1 2.63Å
58V97.8Very high95.9Very high20 Ų2045.5 Ų45.512%0.12122%0.221CC..Hα-helixtrans-58.8-45.1-174.61790000112.2L12 L51 N56 E60 T61 L62L12-V58 HydrophobicContact CD2-CG2 3.9Å; L51-V58 HydrophobicContact CD2-CG2 4.33Å; N56-V58 PolarHBondContact O-N 2.94Å; V58-E60 VanDerWaalsContact C-N 3.35Å; V58-E60 PolarHBondContact O-N 3.14Å; V58-T61 WeakPolarHBondContact O-CA 3.25Å; V58-T61 VanDerWaalsContact O-CB 3.28Å; V58-T61 WeakPolarHBondContact O-CB 3.49Å; V58-T61 PolarHBondContact O-N 3.34Å; V58-T61 VanDerWaalsContact O-N 3.07Å; V58-L62 HydrophobicContact CG1-CD1 3.97Å; V58-L62 HydrophobicContact CG1-CG 4.15Å; V58-L62 WeakPolarHBondContact O-CG 3.3Å; V58-L62 PolarHBondContact O-N 3.26Å
59D98.1Very high96.2Very high78 Ų7843 Ų4342%0.41721%0.21SC..Hα-helixtrans-60.2-40.7-178.4-65.3-59.3000113.6R19 I57 T61 K63R19-D59 IonicContact CZ-OD1 2.74Å; R19-D59 IonicContact NH1-OD1 2.93Å; R19-D59 PolarHBondContact NH1-OD1 3.39Å; R19-D59 IonicContact NH1-OD2 3.83Å; R19-D59 IonicContact NH2-OD1 3.42Å; R19-D59 PolarHBondContact NH2-OD1 3.38Å; I57-D59 PolarHBondContact O-N 3.37Å; D59-T61 VanDerWaalsContact C-N 3.35Å; D59-K63 WeakPolarHBondContact O-CG 3.43Å; D59-K63 PolarHBondContact O-N 2.97Å
60E97.5Very high96.5Very high79 Ų7945.9 Ų45.937%0.36922%0.221SC..Hα-helixtrans-76.8-25177-59.9-54.2131.100112.4R54 I57 V58 K63 M64R54-E60 HydrophobicContact CB-CB 4.28Å; R54-E60 HydrophobicContact CG-CB 4.31Å; I57-E60 HydrophobicContact CB-CB 4.45Å; I57-E60 HydrophobicContact CG2-CB 4.25Å; I57-E60 HydrophobicContact CG2-CG 3.93Å; I57-E60 PolarHBondContact O-N 2.88Å; V58-E60 VanDerWaalsContact C-N 3.35Å; V58-E60 PolarHBondContact O-N 3.14Å; E60-K63 IonicContact OE1-NZ 2.68Å; E60-K63 PolarHBondContact OE1-NZ 3.34Å; E60-K63 IonicContact OE2-NZ 2.71Å; E60-M64 WeakPolarHBondContact O-CB 3.16Å; E60-M64 PolarHBondContact O-N 3.31Å
61T98Very high96.6Very high0 Ų046.3 Ų46.30%022%0.223CC..Hα-helixtrans-67.7-46.2171.3-54.30000110.6T16 L51 I57 V58 D59 K63 M64 L65T16-T61 HydrophobicContact CG2-CG2 3.91Å; L51-T61 HydrophobicContact CD2-CG2 4.11Å; L51-T61 HydrophobicContact CG-CG2 4.03Å; I57-T61 WeakPolarHBondContact O-CB 3.42Å; I57-T61 PolarHBondContact O-N 3.05Å; I57-T61 PolarHBondContact O-OG1 2.63Å; V58-T61 WeakPolarHBondContact O-CA 3.25Å; V58-T61 VanDerWaalsContact O-CB 3.28Å; V58-T61 WeakPolarHBondContact O-CB 3.49Å; V58-T61 PolarHBondContact O-N 3.34Å; V58-T61 VanDerWaalsContact O-N 3.07Å; D59-T61 VanDerWaalsContact C-N 3.35Å; T61-K63 PolarHBondContact O-N 3.24Å; T61-M64 PolarHBondContact O-N 3.14Å; T61-L65 HydrophobicContact CG2-CD1 4.15Å; T61-L65 WeakPolarHBondContact O-CG 3.06Å; T61-L65 PolarHBondContact O-N 3.47Å
62L98.3Very high96.7Very high0 Ų046.3 Ų46.30%022%0.223CC..Hα-helixtrans-61.3-44.7178.6-68171.2000112.1T16 R19 F20 Y24 V58 M64 L65 D66T16-L62 HydrophobicContact CG2-CD2 4.14Å; R19-L62 HydrophobicContact CB-CD1 3.72Å; R19-L62 HydrophobicContact CB-CD2 4.19Å; F20-L62 HydrophobicContact CB-CD2 3.65Å; F20-L62 HydrophobicContact CD2-CD2 4Å; F20-L62 HydrophobicContact CG-CD2 4.34Å; Y24-L62 HydrophobicContact CD2-CB 4.49Å; Y24-L62 HydrophobicContact CE2-CB 3.76Å; Y24-L62 HydrophobicContact CE2-CD1 4.37Å; Y24-L62 HydrophobicContact CE2-CG 4.46Å; V58-L62 HydrophobicContact CG1-CD1 3.97Å; V58-L62 HydrophobicContact CG1-CG 4.15Å; V58-L62 WeakPolarHBondContact O-CG 3.3Å; V58-L62 PolarHBondContact O-N 3.26Å; L62-M64 VanDerWaalsContact C-N 3.3Å; L62-M64 PolarHBondContact O-N 2.75Å; L62-L65 PolarHBondContact O-N 3.46Å; L62-D66 WeakPolarHBondContact O-CB 3.22Å; L62-D66 PolarHBondContact O-N 3.33Å
63K97.9Very high97Very high106 Ų10647.3 Ų47.346%0.46122%0.221SC..Hα-helixtrans-60-39.8174.9-67.8168.3-170.4171.50112.5D59 E60 T61 D66 E67D59-K63 WeakPolarHBondContact O-CG 3.43Å; D59-K63 PolarHBondContact O-N 2.97Å; E60-K63 IonicContact OE1-NZ 2.68Å; E60-K63 PolarHBondContact OE1-NZ 3.34Å; E60-K63 IonicContact OE2-NZ 2.71Å; T61-K63 PolarHBondContact O-N 3.24Å; K63-D66 PolarHBondContact O-N 2.95Å; K63-E67 PolarHBondContact O-N 3.48Å; K63-E67 VanDerWaalsContact O-N 3.09Å
64M97.8Very high97.1Very high3 Ų350.6 Ų50.62%0.01524%0.24CC..Hα-helixtrans-71.7-39.5179.5-176.2-176.5169.900112.4Y50 W53 R54 E60 T61 L62 D66 S68 V173 P176Y50-M64 HydrophobicContact CD1-CE 3.55Å; Y50-M64 HydrophobicContact CD1-CG 3.82Å; Y50-M64 HydrophobicContact CD1-SD 3.72Å; Y50-M64 HydrophobicContact CE1-CE 3.84Å; Y50-M64 HydrophobicContact CE1-CG 4.17Å; Y50-M64 HydrophobicContact CE1-SD 4.43Å; W53-M64 HydrophobicContact CG-CE 4.25Å; R54-M64 HydrophobicContact CG-SD 3.84Å; R54-M64 PolarHBondContact NE-SD 3.48Å; R54-M64 VanDerWaalsContact NE-SD 3.44Å; R54-M64 PolarHBondContact NH2-SD 2.84Å; E60-M64 WeakPolarHBondContact O-CB 3.16Å; E60-M64 PolarHBondContact O-N 3.31Å; T61-M64 PolarHBondContact O-N 3.14Å; L62-M64 VanDerWaalsContact C-N 3.3Å; L62-M64 PolarHBondContact O-N 2.75Å; M64-D66 VanDerWaalsContact C-N 3.32Å; M64-S68 VanDerWaalsContact O-CB 3.29Å; M64-S68 WeakPolarHBondContact O-CB 3.33Å; M64-S68 PolarHBondContact O-N 2.91Å; M64-V173 WeakPolarHBondContact CE-O 3.41Å; M64-V173 HydrophobicContact CG-CG1 4.27Å; M64-P176 HydrophobicContact CE-CB 3.82Å; M64-P176 HydrophobicContact CE-CG 3.85Å
65L97.9Very high97.2Very high0 Ų048.2 Ų48.20%023%0.231CC..Hα-helixtrans-60.6-43.2171.1-75.8168.7000110.8T16 F20 L40 Y50 T61 L62 S68 F69T16-L65 HydrophobicContact CG2-CD1 3.79Å; F20-L65 HydrophobicContact CD2-CB 3.97Å; F20-L65 HydrophobicContact CD2-CD1 4.28Å; F20-L65 HydrophobicContact CE2-CB 3.64Å; F20-L65 HydrophobicContact CZ-CB 4.39Å; L40-L65 HydrophobicContact CD1-CD1 4.14Å; L40-L65 HydrophobicContact CD1-CD2 3.69Å; L40-L65 HydrophobicContact CD2-CD1 4.28Å; Y50-L65 HydrophobicContact CD1-CD2 3.93Å; Y50-L65 HydrophobicContact CD1-CG 4.25Å; Y50-L65 HydrophobicContact CD2-CD2 3.48Å; Y50-L65 VanDerWaalsContact CD2-CD2 3.48Å; Y50-L65 HydrophobicContact CD2-CG 4.42Å; Y50-L65 HydrophobicContact CE1-CD2 4.04Å; Y50-L65 HydrophobicContact CE2-CD2 3.6Å; Y50-L65 HydrophobicContact CG-CD2 3.67Å; Y50-L65 HydrophobicContact CG-CG 4.15Å; T61-L65 HydrophobicContact CG2-CD1 4.15Å; T61-L65 WeakPolarHBondContact O-CG 3.06Å; T61-L65 PolarHBondContact O-N 3.47Å; L62-L65 PolarHBondContact O-N 3.46Å; L65-S68 PolarHBondContact O-N 3.4Å; L65-F69 HydrophobicContact CD2-CE1 3.92Å; L65-F69 HydrophobicContact CD2-CZ 4.24Å; L65-F69 WeakPolarHBondContact O-CB 3.38Å; L65-F69 WeakPolarHBondContact O-CD1 3.41Å; L65-F69 WeakPolarHBondContact O-CG 3.33Å; L65-F69 PolarHBondContact O-N 3.42Å
66D97.6Very high97.4Very high25 Ų2544 Ų4413%0.13422%0.217CC..Hα-helixtrans-60.3-48.8177.9-173.727.9000113Y24 K31 Y32 L62 K63 M64 S68 Q70Y24-D66 HydrophobicContact CD1-CB 3.62Å; Y24-D66 VanDerWaalsContact CD1-CG 3.48Å; Y24-D66 HydrophobicContact CE1-CB 3.52Å; Y24-D66 WeakPolarHBondContact CE1-OD2 3.47Å; K31-D66 WeakPolarHBondContact CE-OD1 3.45Å; K31-D66 IonicContact NZ-OD1 2.96Å; K31-D66 PolarHBondContact NZ-OD1 3.15Å; K31-D66 IonicContact NZ-OD2 2.65Å; K31-D66 PolarHBondContact NZ-OD2 2.85Å; Y32-D66 VanDerWaalsContact CE1-OD1 3.3Å; Y32-D66 WeakPolarHBondContact CE1-OD1 3.49Å; Y32-D66 PolarHBondContact OH-OD1 2.8Å; L62-D66 WeakPolarHBondContact O-CB 3.22Å; L62-D66 PolarHBondContact O-N 3.33Å; K63-D66 PolarHBondContact O-N 2.95Å; M64-D66 VanDerWaalsContact C-N 3.32Å; D66-S68 VanDerWaalsContact C-N 3.35Å; D66-Q70 WeakPolarHBondContact O-CB 3.4Å; D66-Q70 WeakPolarHBondContact O-CG 3.45Å; D66-Q70 PolarHBondContact O-N 3.33Å; D66-Q70 VanDerWaalsContact O-N 3.17Å; D66-Q70 PolarHBondContact O-NE2 3.05Å; D66-Q70 PolarHBondContact OD1-NE2 3.4Å; D66-Q70 PolarHBondContact OD2-NE2 3.25Å
67E97.9Very high97.4Very high86 Ų8640.4 Ų40.440%0.40220%0.198SC..Hα-helixtrans-62.9-41.6176.3-169.5-174.816100111.4K63 W71 V173K63-E67 PolarHBondContact O-N 3.48Å; K63-E67 VanDerWaalsContact O-N 3.09Å; E67-W71 WeakPolarHBondContact O-CB 3.11Å; E67-W71 PolarHBondContact O-N 3.37Å; E67-V173 HydrophobicContact CB-CG1 3.95Å; E67-V173 HydrophobicContact CG-CG1 3.89Å
68S97.8Very high97.4Very high0 Ų038 Ų380%019%0.186CC..Hα-helixtrans-66.8-44.2179.4-175.90000112.6Y50 M64 L65 D66 W71 R72Y50-S68 PolarHBondContact OH-OG 2.94Å; M64-S68 VanDerWaalsContact O-CB 3.29Å; M64-S68 WeakPolarHBondContact O-CB 3.33Å; M64-S68 PolarHBondContact O-N 2.91Å; L65-S68 PolarHBondContact O-N 3.4Å; D66-S68 VanDerWaalsContact C-N 3.35Å; S68-W71 WeakPolarHBondContact O-CB 3.27Å; S68-W71 PolarHBondContact O-N 3.49Å; S68-R72 WeakPolarHBondContact O-CG 3.29Å; S68-R72 PolarHBondContact O-N 2.98Å
69F97.8Very high97.3Very high0 Ų040.7 Ų40.70%020%0.2CC..Hα-helixtrans-74.1-34.1-175.1-77.824.8000111.9F20 Y32 D36 V37 L40 W46 L65 R72 K73F20-F69 AromaticContact CE1-CD2 3.85Å; F20-F69 HydrophobicContact CE1-CD2 3.85Å; F20-F69 AromaticContact CE1-CE2 3.93Å; F20-F69 HydrophobicContact CE1-CE2 3.93Å; F20-F69 AromaticContact CZ-CD2 3.7Å; F20-F69 HydrophobicContact CZ-CD2 3.7Å; F20-F69 HydrophobicContact CZ-CE2 4.12Å; F20-F69 HydrophobicContact CZ-CG 4.31Å; Y32-F69 HydrophobicContact CD1-CB 3.42Å; Y32-F69 VanDerWaalsContact CD1-CB 3.42Å; Y32-F69 HydrophobicContact CE1-CB 4.01Å; Y32-F69 HydrophobicContact CG-CB 4Å; Y32-F69 HydrophobicContact CG-CD2 4.35Å; D36-F69 HydrophobicContact CB-CD1 4.49Å; D36-F69 HydrophobicContact CB-CD2 4.02Å; D36-F69 HydrophobicContact CB-CE1 4.41Å; D36-F69 HydrophobicContact CB-CE2 3.93Å; D36-F69 HydrophobicContact CB-CG 4.3Å; D36-F69 HydrophobicContact CB-CZ 4.11Å; D36-F69 WeakPolarHBondContact O-CE2 3.4Å; D36-F69 WeakPolarHBondContact O-CZ 3.47Å; V37-F69 HydrophobicContact CG2-CD2 4.39Å; V37-F69 HydrophobicContact CG2-CE2 4.49Å; L40-F69 HydrophobicContact CB-CE2 4.15Å; L40-F69 HydrophobicContact CB-CZ 3.97Å; L40-F69 HydrophobicContact CD1-CZ 3.95Å; L40-F69 HydrophobicContact CD2-CE2 4.12Å; L40-F69 HydrophobicContact CD2-CZ 4.2Å; L40-F69 HydrophobicContact CG-CZ 4.26Å; W46-F69 HydrophobicContact CE3-CZ 4.48Å; W46-F69 HydrophobicContact CH2-CD1 4.4Å; W46-F69 AromaticContact CH2-CE1 3.37Å; W46-F69 HydrophobicContact CH2-CE1 3.37Å; W46-F69 AromaticContact CH2-CZ 3.51Å; W46-F69 HydrophobicContact CH2-CZ 3.51Å; W46-F69 AromaticContact CZ2-CE1 3.9Å; W46-F69 HydrophobicContact CZ2-CE1 3.9Å; W46-F69 HydrophobicContact CZ2-CZ 4.42Å; W46-F69 AromaticContact CZ3-CE1 3.86Å; W46-F69 HydrophobicContact CZ3-CE1 3.86Å; W46-F69 AromaticContact CZ3-CZ 3.54Å; W46-F69 HydrophobicContact CZ3-CZ 3.54Å; L65-F69 HydrophobicContact CD2-CE1 3.92Å; L65-F69 HydrophobicContact CD2-CZ 4.24Å; L65-F69 WeakPolarHBondContact O-CB 3.38Å; L65-F69 WeakPolarHBondContact O-CD1 3.41Å; L65-F69 WeakPolarHBondContact O-CG 3.33Å; L65-F69 PolarHBondContact O-N 3.42Å; F69-R72 PolarHBondContact O-N 3.16Å; F69-K73 PolarHBondContact O-N 3.01Å; F69-K73 VanDerWaalsContact O-N 3.09Å
70Q97.6Very high97.2Very high81 Ų8138.3 Ų38.338%0.37919%0.187SC..Hα-helixtrans-59.8-46.5168.2-77.8171.792.300111.1K31 Y32 D66 K73 E74K31-Q70 HydrophobicContact CG-CG 4.08Å; Y32-Q70 HydrophobicContact CD1-CG 4.41Å; Y32-Q70 HydrophobicContact CE1-CG 4.09Å; D66-Q70 WeakPolarHBondContact O-CB 3.4Å; D66-Q70 WeakPolarHBondContact O-CG 3.45Å; D66-Q70 PolarHBondContact O-N 3.33Å; D66-Q70 VanDerWaalsContact O-N 3.17Å; D66-Q70 PolarHBondContact O-NE2 3.05Å; D66-Q70 PolarHBondContact OD1-NE2 3.4Å; D66-Q70 PolarHBondContact OD2-NE2 3.25Å; Q70-K73 PolarHBondContact O-N 3.26Å; Q70-E74 WeakPolarHBondContact O-CB 3.28Å; Q70-E74 PolarHBondContact O-N 3.48Å
71W97.7Very high96.9Very high9 Ų937.9 Ų37.93%0.03419%0.188CC..Hα-helixtrans-63.9-42.5176.9169.971.9000113E67 S68 K73 E74 I75 V77 A130 F166 Y174 Y175E67-W71 WeakPolarHBondContact O-CB 3.11Å; E67-W71 PolarHBondContact O-N 3.37Å; S68-W71 WeakPolarHBondContact O-CB 3.27Å; S68-W71 PolarHBondContact O-N 3.49Å; W71-K73 VanDerWaalsContact C-N 3.27Å; W71-K73 PolarHBondContact O-N 3.04Å; W71-E74 PolarHBondContact O-N 2.92Å; W71-E74 VanDerWaalsContact O-N 3.17Å; W71-I75 HydrophobicContact CH2-CD1 4.02Å; W71-I75 HydrophobicContact CZ2-CD1 3.27Å; W71-I75 HydrophobicContact CZ2-CG1 4.11Å; W71-I75 PolarHBondContact O-N 3.28Å; W71-V77 HydrophobicContact CE3-CG2 4.42Å; W71-V77 HydrophobicContact CH2-CG2 3.83Å; W71-V77 HydrophobicContact CZ2-CG2 4.33Å; W71-V77 HydrophobicContact CZ3-CG2 3.86Å; W71-A130 HydrophobicContact CH2-CB 4.1Å; W71-A130 HydrophobicContact CZ2-CB 4.04Å; W71-F166 HydrophobicContact CZ2-CE2 4.1Å; W71-F166 HydrophobicContact CZ2-CZ 4.09Å; W71-F166 AromaticContact NE1-CE2 3.52Å; W71-Y174 HydrophobicContact CB-CD1 4.06Å; W71-Y174 HydrophobicContact CB-CE1 3.61Å; W71-Y174 AromaticContact CD1-CE2 3.82Å; W71-Y174 AromaticContact CD1-CZ 3.83Å; W71-Y174 AromaticContact CD2-CD1 3.79Å; W71-Y174 HydrophobicContact CD2-CD1 3.79Å; W71-Y174 AromaticContact CD2-CD2 3.46Å; W71-Y174 HydrophobicContact CD2-CD2 3.46Å; W71-Y174 VanDerWaalsContact CD2-CD2 3.46Å; W71-Y174 AromaticContact CD2-CE1 3.98Å; W71-Y174 HydrophobicContact CD2-CE1 3.98Å; W71-Y174 AromaticContact CD2-CE2 3.68Å; W71-Y174 HydrophobicContact CD2-CE2 3.68Å; W71-Y174 AromaticContact CD2-CG 3.57Å; W71-Y174 HydrophobicContact CD2-CG 3.57Å; W71-Y174 AromaticContact CD2-CZ 3.94Å; W71-Y174 AromaticContact CE2-CD2 3.53Å; W71-Y174 AromaticContact CE2-CE2 3.7Å; W71-Y174 AromaticContact CE3-CD1 3.66Å; W71-Y174 HydrophobicContact CE3-CD1 3.66Å; W71-Y174 AromaticContact CE3-CD2 3.69Å; W71-Y174 HydrophobicContact CE3-CD2 3.69Å; W71-Y174 HydrophobicContact CE3-CE1 4.3Å; W71-Y174 HydrophobicContact CE3-CE2 4.34Å; W71-Y174 AromaticContact CE3-CG 3.35Å; W71-Y174 HydrophobicContact CE3-CG 3.35Å; W71-Y174 AromaticContact CG-CD1 3.96Å; W71-Y174 HydrophobicContact CG-CD1 3.96Å; W71-Y174 HydrophobicContact CG-CD2 4.01Å; W71-Y174 AromaticContact CG-CE1 3.65Å; W71-Y174 HydrophobicContact CG-CE1 3.65Å; W71-Y174 AromaticContact CG-CE2 3.72Å; W71-Y174 HydrophobicContact CG-CE2 3.72Å; W71-Y174 HydrophobicContact CG-CG 4.17Å; W71-Y174 AromaticContact CG-CZ 3.55Å; W71-Y174 HydrophobicContact CH2-CD2 4.02Å; W71-Y174 HydrophobicContact CH2-CG 4.22Å; W71-Y174 AromaticContact CZ2-CD2 3.79Å; W71-Y174 HydrophobicContact CZ2-CD2 3.79Å; W71-Y174 HydrophobicContact CZ2-CE2 4.33Å; W71-Y174 HydrophobicContact CZ2-CG 4.38Å; W71-Y174 VanDerWaalsContact CZ3-CB 3.49Å; W71-Y174 HydrophobicContact CZ3-CD1 4.45Å; W71-Y174 AromaticContact CZ3-CD2 3.99Å; W71-Y174 HydrophobicContact CZ3-CD2 3.99Å; W71-Y174 AromaticContact CZ3-CG 3.73Å; W71-Y174 HydrophobicContact CZ3-CG 3.73Å; W71-Y174 AromaticContact NE1-CE2 3.82Å; W71-Y175 AromaticContact CH2-CE2 3.71Å; W71-Y175 HydrophobicContact CH2-CE2 3.71Å; W71-Y175 HydrophobicContact CZ3-CE2 4.12Å
72R97.8Very high96.6Very high3 Ų342.4 Ų42.41%0.01121%0.208CC..Hα-helixtrans-59.5-39.3177.4-74.6-175.872.785.6-0.5111.3D36 S68 F69 S76 V77 N78 E134D36-R72 VanDerWaalsContact CG-NE 3.3Å; D36-R72 IonicContact OD1-CZ 3.55Å; D36-R72 IonicContact OD1-NE 2.78Å; D36-R72 PolarHBondContact OD1-NE 3.07Å; D36-R72 IonicContact OD1-NH2 3.4Å; D36-R72 PolarHBondContact OD1-NH2 2.93Å; D36-R72 WeakPolarHBondContact OD2-CB 3.33Å; D36-R72 IonicContact OD2-NE 3.28Å; D36-R72 PolarHBondContact OD2-NE 3.47Å; S68-R72 WeakPolarHBondContact O-CG 3.29Å; S68-R72 PolarHBondContact O-N 2.98Å; F69-R72 PolarHBondContact O-N 3.16Å; R72-S76 PolarHBondContact O-N 2.78Å; R72-V77 HydrophobicContact CB-CB 4.26Å; R72-V77 HydrophobicContact CB-CG2 4.17Å; R72-V77 HydrophobicContact CG-CB 4.31Å; R72-V77 HydrophobicContact CG-CG2 4.12Å; R72-V77 PolarHBondContact O-N 2.64Å; R72-N78 PolarHBondContact NH2-OD1 2.86Å; R72-E134 IonicContact CZ-OE1 3.14Å; R72-E134 IonicContact CZ-OE2 2.71Å; R72-E134 IonicContact NH1-OE1 3.64Å; R72-E134 IonicContact NH1-OE2 3.93Å; R72-E134 PolarHBondContact NH1-OE2 3.39Å; R72-E134 IonicContact NH2-OE1 3.55Å; R72-E134 PolarHBondContact NH2-OE1 2.95Å; R72-E134 IonicContact NH2-OE2 3.49Å; R72-E134 PolarHBondContact NH2-OE2 3.25Å
73K97.2Very high96.4Very high67 Ų6747.5 Ų47.529%0.29124%0.244SC..Hα-helixtrans-67.1-48.8171.2-170.4178.5-167.4155.40112.5D30 Y32 F69 Q70 W71 I75 S76D30-K73 VanDerWaalsContact C-NZ 3.33Å; D30-K73 PolarHBondContact O-NZ 3.17Å; D30-K73 IonicContact OD1-NZ 2.63Å; D30-K73 PolarHBondContact OD1-NZ 3.42Å; Y32-K73 PolarHBondContact O-NZ 3.27Å; F69-K73 PolarHBondContact O-N 3.01Å; F69-K73 VanDerWaalsContact O-N 3.09Å; Q70-K73 PolarHBondContact O-N 3.26Å; W71-K73 VanDerWaalsContact C-N 3.27Å; W71-K73 PolarHBondContact O-N 3.04Å; K73-I75 VanDerWaalsContact C-N 3.29Å; K73-I75 PolarHBondContact O-N 3.41Å; K73-S76 PolarHBondContact O-N 2.84Å
74E96Very high96.1Very high143 Ų14344.2 Ų44.267%0.66824%0.235SC*.Hα-helixtrans-51.5-45.1-175.7-173.2-16415400112.5Q70 W71Q70-E74 WeakPolarHBondContact O-CB 3.28Å; Q70-E74 PolarHBondContact O-N 3.48Å; W71-E74 PolarHBondContact O-N 2.92Å; W71-E74 VanDerWaalsContact O-N 3.17Å
75I95.7Very high96Very high6 Ų644.4 Ų44.43%0.03124%0.236CC..THydrogen-bonded Turntrans-99.43.7-179.375.8164.2000114.1W71 K73 V77 L80 K127 A130W71-I75 HydrophobicContact CH2-CD1 4.02Å; W71-I75 HydrophobicContact CZ2-CD1 3.27Å; W71-I75 HydrophobicContact CZ2-CG1 4.11Å; W71-I75 PolarHBondContact O-N 3.28Å; K73-I75 VanDerWaalsContact C-N 3.29Å; K73-I75 PolarHBondContact O-N 3.41Å; I75-V77 HydrophobicContact CD1-CG2 3.73Å; I75-V77 HydrophobicContact CG1-CG2 3.45Å; I75-V77 VanDerWaalsContact CG1-CG2 3.45Å; I75-L80 HydrophobicContact CD1-CD1 4.41Å; I75-K127 HydrophobicContact CB-CG 4.37Å; I75-A130 HydrophobicContact CD1-CB 3.43Å; I75-A130 VanDerWaalsContact CD1-CB 3.43Å
76S96.8Very high95.8Very high53 Ų5346.1 Ų46.137%0.37125%0.247SC..THydrogen-bonded Turntrans5751.6-178.3-42.50000113.4R72 K73 N78 D79 L80R72-S76 PolarHBondContact O-N 2.78Å; K73-S76 PolarHBondContact O-N 2.84Å; S76-N78 VanDerWaalsContact C-N 3.27Å; S76-N78 PolarHBondContact O-N 3.44Å; S76-D79 CarbonylContact O-C 3.55Å; S76-D79 PolarHBondContact O-N 3.44Å; S76-L80 PolarHBondContact O-N 3.25Å
77V96.9Very high95.6Very high1 Ų152.3 Ų52.31%0.00627%0.268CS..G310 helixtrans-54.9-41.2-172.6176.30000112.8W71 R72 I75 D79 L80 E134W71-V77 HydrophobicContact CE3-CG2 4.42Å; W71-V77 HydrophobicContact CH2-CG2 3.83Å; W71-V77 HydrophobicContact CZ2-CG2 4.33Å; W71-V77 HydrophobicContact CZ3-CG2 3.86Å; R72-V77 HydrophobicContact CB-CB 4.26Å; R72-V77 HydrophobicContact CB-CG2 4.17Å; R72-V77 HydrophobicContact CG-CB 4.31Å; R72-V77 HydrophobicContact CG-CG2 4.12Å; R72-V77 PolarHBondContact O-N 2.64Å; I75-V77 HydrophobicContact CD1-CG2 3.73Å; I75-V77 HydrophobicContact CG1-CG2 3.45Å; I75-V77 VanDerWaalsContact CG1-CG2 3.45Å; V77-D79 PolarHBondContact O-N 3.01Å; V77-L80 HydrophobicContact CB-CD1 4.49Å; V77-L80 HydrophobicContact CG1-CD1 4.49Å; V77-L80 HydrophobicContact CG2-CD1 4.41Å; V77-L80 WeakPolarHBondContact O-CB 3.37Å; V77-L80 PolarHBondContact O-N 3.38Å; V77-E134 HydrophobicContact CG1-CB 4.36Å; V77-E134 HydrophobicContact CG1-CG 3.96Å
78N96.3Very high95.4Very high37 Ų3753.7 Ų53.720%0.19827%0.27CS..G310 helixtrans-69.4-12.9-179.2-64.3-45.1000113.7D33 D36 R72 S76D33-N78 PolarHBondContact OD2-ND2 2.92Å; D33-N78 VanDerWaalsContact OD2-ND2 3.07Å; D36-N78 PolarHBondContact OD1-ND2 2.69Å; D36-N78 PolarHBondContact OD1-OD1 2.86Å; D36-N78 PolarHBondContact OD2-ND2 3.06Å; R72-N78 PolarHBondContact NH2-OD1 2.86Å; S76-N78 VanDerWaalsContact C-N 3.27Å; S76-N78 PolarHBondContact O-N 3.44Å
79D95.9Very high95.2Very high78 Ų7853.9 Ų53.942%0.41727%0.271SS..G310 helixtrans-1094.8176.8-53.2-58.4000112.7R35 S76 V77 N81 S84R35-D79 IonicContact CZ-OD1 3.19Å; R35-D79 IonicContact CZ-OD2 2.75Å; R35-D79 IonicContact NH1-OD1 2.73Å; R35-D79 PolarHBondContact NH1-OD1 2.65Å; R35-D79 IonicContact NH1-OD2 3.84Å; R35-D79 VanDerWaalsContact NH2-CG 3.29Å; R35-D79 IonicContact NH2-OD1 3.81Å; R35-D79 PolarHBondContact NH2-OD1 3.49Å; R35-D79 VanDerWaalsContact NH2-OD1 3.16Å; R35-D79 IonicContact NH2-OD2 2.73Å; R35-D79 PolarHBondContact NH2-OD2 3.33Å; S76-D79 CarbonylContact O-C 3.55Å; S76-D79 PolarHBondContact O-N 3.44Å; V77-D79 PolarHBondContact O-N 3.01Å; D79-N81 PolarHBondContact O-N 3.07Å; D79-N81 PolarHBondContact O-ND2 3.35Å; D79-S84 PolarHBondContact O-OG 3.44Å
80L94.6Very high94.9Very high27 Ų2754 Ų5414%0.14127%0.272CS..  trans-68.1118.5175.7-70.2177.9000110.8I75 S76 V77 K127 A130I75-L80 HydrophobicContact CD1-CD1 4.41Å; S76-L80 PolarHBondContact O-N 3.25Å; V77-L80 HydrophobicContact CB-CD1 4.49Å; V77-L80 HydrophobicContact CG1-CD1 4.49Å; V77-L80 HydrophobicContact CG2-CD1 4.41Å; V77-L80 WeakPolarHBondContact O-CB 3.37Å; V77-L80 PolarHBondContact O-N 3.38Å; L80-K127 HydrophobicContact CD2-CB 3.97Å; L80-K127 HydrophobicContact CD2-CD 4.14Å; L80-K127 HydrophobicContact CD2-CG 3.99Å; L80-A130 HydrophobicContact CD1-CB 3.59Å
81N92.1Very high94.7Very high71 Ų7154.1 Ų54.138%0.3827%0.272SS..  trans-144.7178.9173.267.481.2000108.5D79 S83 S84D79-N81 PolarHBondContact O-N 3.07Å; D79-N81 PolarHBondContact O-ND2 3.35Å; N81-S83 VanDerWaalsContact C-N 3.27Å; N81-S83 PolarHBondContact O-N 3.2Å; N81-S83 WeakPolarHBondContact OD1-CB 3.42Å; N81-S83 PolarHBondContact OD1-N 3.49Å; N81-S83 PolarHBondContact OD1-OG 3.38Å; N81-S84 PolarHBondContact N-OG 3.48Å; N81-S84 PolarHBondContact ND2-OG 2.87Å; N81-S84 VanDerWaalsContact O-CB 3.29Å; N81-S84 WeakPolarHBondContact O-CB 3.29Å; N81-S84 PolarHBondContact O-N 2.92Å
82E91.6Very high94.5Very high94 Ų9456.6 Ų56.644%0.43929%0.285SS..G310 helixtrans-59-35.2-175.4-54-170.6149.300113.3S84 I85 F131 Y241E82-S84 VanDerWaalsContact C-N 3.27Å; E82-S84 PolarHBondContact O-N 2.89Å; E82-I85 PolarHBondContact O-N 3.36Å; E82-I85 VanDerWaalsContact O-O 3.12Å; E82-F131 HydrophobicContact CG-CE2 4.27Å; E82-F131 HydrophobicContact CG-CZ 4.02Å; E82-Y241 WeakPolarHBondContact CG-OH 3.28Å; E82-Y241 PolarHBondContact OE1-OH 3.25Å; E82-Y241 PolarHBondContact OE2-OH 2.92Å
83S93Very high94.1Very high107 Ų10756.6 Ų56.675%0.74829%0.287SS*.G310 helixtrans-73.2-18.1177.274.80000113.7N81 I85N81-S83 VanDerWaalsContact C-N 3.27Å; N81-S83 PolarHBondContact O-N 3.2Å; N81-S83 WeakPolarHBondContact OD1-CB 3.42Å; N81-S83 PolarHBondContact OD1-N 3.49Å; N81-S83 PolarHBondContact OD1-OG 3.38Å; S83-I85 PolarHBondContact O-N 2.73Å
84S92.8Very high93.9Very high38 Ų3853.8 Ų53.827%0.26628%0.275SS..G310 helixtrans-77.7-5.4174.4-50.70000112.9D79 N81 E82D79-S84 PolarHBondContact O-OG 3.44Å; N81-S84 PolarHBondContact N-OG 3.48Å; N81-S84 PolarHBondContact ND2-OG 2.87Å; N81-S84 VanDerWaalsContact O-CB 3.29Å; N81-S84 WeakPolarHBondContact O-CB 3.29Å; N81-S84 PolarHBondContact O-N 2.92Å; E82-S84 VanDerWaalsContact C-N 3.27Å; E82-S84 PolarHBondContact O-N 2.89Å
85I94.4Very high93.7Very high7 Ų747 Ų474%0.03624%0.243CC..SBendtrans-119.5133.3-179.5-50.2-61.3000109.8E82 S83 R87 L89 L90 K127 L128 F131E82-I85 PolarHBondContact O-N 3.36Å; E82-I85 VanDerWaalsContact O-O 3.12Å; S83-I85 PolarHBondContact O-N 2.73Å; I85-R87 PolarHBondContact O-N 3.09Å; I85-L89 HydrophobicContact CG2-CB 4.14Å; I85-L90 HydrophobicContact CB-CD1 4.04Å; I85-L90 HydrophobicContact CB-CD2 4.43Å; I85-L90 HydrophobicContact CB-CG 4.17Å; I85-L90 HydrophobicContact CG2-CD1 4.18Å; I85-L90 HydrophobicContact CG2-CD2 4.14Å; I85-L90 HydrophobicContact CG2-CG 3.79Å; I85-K127 HydrophobicContact CD1-CB 3.57Å; I85-L128 HydrophobicContact CG2-CB 4.46Å; I85-L128 HydrophobicContact CG2-CD1 4.2Å; I85-F131 HydrophobicContact CD1-CB 4.3Å; I85-F131 HydrophobicContact CG1-CB 4.43Å; I85-F131 HydrophobicContact CG1-CG 4.42Å
86P94.5Very high93.6Very high35 Ų3547.5 Ų47.523%0.22725%0.245CC..  trans-56.4125.4171.6-25.334.1000111.9W88 L89 D124P86-W88 PolarHBondContact O-N 3.24Å; P86-L89 HydrophobicContact CB-CD1 4.41Å; P86-L89 HydrophobicContact CG-CD1 4.19Å; P86-L89 WeakPolarHBondContact O-CB 3.46Å; P86-L89 PolarHBondContact O-N 2.84Å; P86-D124 HydrophobicContact CG-CB 3.88Å
87R93.4Very high93.3Very high155 Ų15545.8 Ų45.859%0.58523%0.231SC*.Hα-helixtrans-51.2-39.4-173.5-158.6-174.2-157.3-117.14.1114I85 L89 L90 E91I85-R87 PolarHBondContact O-N 3.09Å; R87-L89 VanDerWaalsContact C-N 3.25Å; R87-L89 PolarHBondContact O-N 3.42Å; R87-L90 WeakPolarHBondContact O-CB 3.14Å; R87-L90 PolarHBondContact O-N 3.15Å; R87-E91 VanDerWaalsContact CD-OE1 3.26Å; R87-E91 WeakPolarHBondContact CD-OE1 3.28Å; R87-E91 HydrophobicContact CG-CG 4.4Å; R87-E91 WeakPolarHBondContact CG-OE1 3.45Å; R87-E91 IonicContact CZ-OE1 3.01Å; R87-E91 IonicContact NE-OE1 3.61Å; R87-E91 IonicContact NH1-OE1 2.83Å; R87-E91 PolarHBondContact NH1-OE1 3.43Å; R87-E91 WeakPolarHBondContact O-CG 3.47Å; R87-E91 PolarHBondContact O-N 3.31Å
88W94.1Very high93.1Very high115 Ų11546.4 Ų46.444%0.43623%0.234SC..Hα-helixtrans-62.1-28.4178.572.2-93.6000113.7P86 E91 I92 T121P86-W88 PolarHBondContact O-N 3.24Å; W88-E91 PolarHBondContact O-N 2.98Å; W88-I92 HydrophobicContact CZ3-CD1 4.42Å; W88-I92 WeakPolarHBondContact O-CB 3.43Å; W88-I92 PolarHBondContact O-N 3.18Å; W88-T121 HydrophobicContact CH2-CG2 4.23Å; W88-T121 HydrophobicContact CZ2-CG2 3.77Å
89L93.1Very high92.9Very high5 Ų544.7 Ų44.73%0.02623%0.225CC..Hα-helixtrans-74.5-30.1174.5-85.2172.8000112.3I85 P86 R87 D124 K125 L128I85-L89 HydrophobicContact CG2-CB 4.14Å; P86-L89 HydrophobicContact CB-CD1 4.41Å; P86-L89 HydrophobicContact CG-CD1 4.19Å; P86-L89 WeakPolarHBondContact O-CB 3.46Å; P86-L89 PolarHBondContact O-N 2.84Å; R87-L89 VanDerWaalsContact C-N 3.25Å; R87-L89 PolarHBondContact O-N 3.42Å; L89-D124 HydrophobicContact CD1-CB 3.47Å; L89-D124 VanDerWaalsContact CD1-CB 3.47Å; L89-K125 HydrophobicContact CD1-CG 4.29Å; L89-K125 HydrophobicContact CD2-CG 3.9Å; L89-L128 HydrophobicContact CB-CD2 4.25Å; L89-L128 WeakPolarHBondContact O-CD2 3.5Å
90L91.6Very high92.8Very high3 Ų342.4 Ų42.42%0.01621%0.211CC..Hα-helixtrans-73.7-38.1170.7-64.4161.1000110.2I85 R87 L128 F131 Y239 Y241I85-L90 HydrophobicContact CB-CD1 4.04Å; I85-L90 HydrophobicContact CB-CD2 4.43Å; I85-L90 HydrophobicContact CB-CG 4.17Å; I85-L90 HydrophobicContact CG2-CD1 4.18Å; I85-L90 HydrophobicContact CG2-CD2 4.14Å; I85-L90 HydrophobicContact CG2-CG 3.79Å; R87-L90 WeakPolarHBondContact O-CB 3.14Å; R87-L90 PolarHBondContact O-N 3.15Å; L90-L128 HydrophobicContact CD2-CD1 3.78Å; L90-F131 HydrophobicContact CD2-CD1 4.48Å; L90-F131 HydrophobicContact CD2-CE1 4.17Å; L90-Y239 WeakPolarHBondContact O-CE1 3.45Å; L90-Y239 VanDerWaalsContact O-CZ 3.26Å; L90-Y239 PolarHBondContact O-OH 3.16Å; L90-Y241 HydrophobicContact CB-CD1 3.53Å; L90-Y241 HydrophobicContact CB-CD2 4.09Å; L90-Y241 HydrophobicContact CB-CE1 3.57Å; L90-Y241 HydrophobicContact CB-CE2 4.15Å; L90-Y241 HydrophobicContact CB-CG 3.8Å; L90-Y241 HydrophobicContact CD1-CD1 4.5Å; L90-Y241 HydrophobicContact CD1-CE1 3.7Å; L90-Y241 HydrophobicContact CD2-CE2 4.17Å; L90-Y241 HydrophobicContact CG-CE1 4.13Å; L90-Y241 WeakPolarHBondContact O-CB 3.47Å
91E92.6Very high92.9Very high82 Ų8241.4 Ų41.438%0.38321%0.206SC..Hα-helixtrans-74.3-32.1-178.6-69.2164.5170.500114.5R87 W88 G93 Y241R87-E91 VanDerWaalsContact CD-OE1 3.26Å; R87-E91 WeakPolarHBondContact CD-OE1 3.28Å; R87-E91 HydrophobicContact CG-CG 4.4Å; R87-E91 WeakPolarHBondContact CG-OE1 3.45Å; R87-E91 IonicContact CZ-OE1 3.01Å; R87-E91 IonicContact NE-OE1 3.61Å; R87-E91 IonicContact NH1-OE1 2.83Å; R87-E91 PolarHBondContact NH1-OE1 3.43Å; R87-E91 WeakPolarHBondContact O-CG 3.47Å; R87-E91 PolarHBondContact O-N 3.31Å; W88-E91 PolarHBondContact O-N 2.98Å; E91-G93 VanDerWaalsContact C-N 3.26Å; E91-G93 PolarHBondContact O-N 3.09Å; E91-Y241 HydrophobicContact CG-CD1 4.48Å
92I93.2Very high93Very high61 Ų6142.5 Ų42.531%0.31321%0.207SC..THydrogen-bonded Turntrans-69.9-15.4-171.4-160.6173.3000114.7W88 V94W88-I92 HydrophobicContact CZ3-CD1 4.42Å; W88-I92 WeakPolarHBondContact O-CB 3.43Å; W88-I92 PolarHBondContact O-N 3.18Å; I92-V94 VanDerWaalsContact C-N 3.32Å; I92-V94 HydrophobicContact CG2-CB 3.98Å; I92-V94 HydrophobicContact CG2-CG1 3.8Å; I92-V94 PolarHBondContact O-N 2.98Å
93G89.9Confident93.1Very high4 Ų444.4 Ų44.44%0.04122%0.216CC..  trans67.228.5178.200000114.9E91 Y239E91-G93 VanDerWaalsContact C-N 3.26Å; E91-G93 PolarHBondContact O-N 3.09Å; G93-Y239 VanDerWaalsContact CA-CE1 3.41Å
94V92.9Very high93Very high7 Ų741.4 Ų41.44%0.04220%0.202CC..SBendtrans-69-34.7175.564.20000112I92 I110 R111 H115 L128I92-V94 VanDerWaalsContact C-N 3.32Å; I92-V94 HydrophobicContact CG2-CB 3.98Å; I92-V94 HydrophobicContact CG2-CG1 3.8Å; I92-V94 PolarHBondContact O-N 2.98Å; V94-I110 CarbonylContact O-C 3.19Å; V94-I110 WeakPolarHBondContact O-CA 3.45Å; V94-R111 PolarHBondContact O-N 2.62Å; V94-H115 HydrophobicContact CG2-CB 4.34Å; V94-L128 HydrophobicContact CG1-CD2 3.66Å
95I93.1Very high93.1Very high2 Ų240.5 Ų40.51%0.0119%0.194CC..EExtended strand (participates in β ladder)trans-138.1132.1-179.7-63.8150.4000109.2F108 W109 I110 L128 I129 W132 F163I95-F108 HydrophobicContact CG2-CE1 3.72Å; I95-F108 HydrophobicContact CG2-CE2 4.21Å; I95-F108 HydrophobicContact CG2-CZ 3.49Å; I95-F108 VanDerWaalsContact CG2-CZ 3.49Å; I95-W109 VanDerWaalsContact CA-O 3.3Å; I95-W109 WeakPolarHBondContact CA-O 3.41Å; I95-I110 HydrophobicContact CG1-CG1 4.41Å; I95-L128 HydrophobicContact CB-CD2 4.32Å; I95-L128 HydrophobicContact CB-CG 4.47Å; I95-L128 HydrophobicContact CD1-CD2 3.85Å; I95-L128 HydrophobicContact CD1-CG 4.04Å; I95-I129 HydrophobicContact CD1-CD1 4.15Å; I95-I129 HydrophobicContact CD1-CG1 3.37Å; I95-I129 HydrophobicContact CG1-CG1 4.4Å; I95-W132 HydrophobicContact CG2-CB 4.5Å; I95-W132 HydrophobicContact CG2-CG 4.25Å; I95-W132 PolarHBondContact O-NE1 3.24Å; I95-F163 HydrophobicContact CD1-CZ 4.43Å
96Y92.2Very high93.1Very high15 Ų1540.2 Ų40.26%0.05919%0.193CC..EExtended strand (participates in β ladder)trans-161.5166.6176.458.7-90.6000111.5H98 W109 R111 F237 Y239Y96-H98 HydrophobicContact CD2-CB 3.93Å; Y96-H98 HydrophobicContact CE2-CB 4Å; Y96-W109 HydrophobicContact CD1-CB 4.1Å; Y96-W109 HydrophobicContact CD2-CB 3.9Å; Y96-W109 AromaticContact CD2-CD1 3.73Å; Y96-W109 AromaticContact CD2-CG 3.98Å; Y96-W109 HydrophobicContact CD2-CG 3.98Å; Y96-W109 HydrophobicContact CE1-CB 3.82Å; Y96-W109 HydrophobicContact CE1-CG 4.38Å; Y96-W109 HydrophobicContact CE2-CB 3.59Å; Y96-W109 AromaticContact CE2-CD1 3.3Å; Y96-W109 HydrophobicContact CE2-CD2 4.1Å; Y96-W109 AromaticContact CE2-CG 3.37Å; Y96-W109 HydrophobicContact CE2-CG 3.37Å; Y96-W109 AromaticContact CE2-NE1 3.95Å; Y96-W109 HydrophobicContact CG-CB 4.13Å; Y96-W109 AromaticContact CZ-CG 3.59Å; Y96-W109 PolarHBondContact N-O 3.45Å; Y96-W109 PolarHBondContact O-N 2.96Å; Y96-R111 HydrophobicContact CE1-CG 3.78Å; Y96-F237 AromaticContact CD2-CE1 3.87Å; Y96-F237 HydrophobicContact CD2-CE1 3.87Å; Y96-F237 HydrophobicContact CD2-CZ 4.43Å; Y96-F237 HydrophobicContact CE2-CD1 4.28Å; Y96-F237 AromaticContact CE2-CE1 3.66Å; Y96-F237 HydrophobicContact CE2-CE1 3.66Å; Y96-Y239 VanDerWaalsContact CB-CD2 3.42Å; Y96-Y239 VanDerWaalsContact CB-CE2 3.42Å; Y96-Y239 AromaticContact CD1-CD2 3.78Å; Y96-Y239 HydrophobicContact CD1-CD2 3.78Å; Y96-Y239 HydrophobicContact CD1-CE2 4.42Å; Y96-Y239 HydrophobicContact CD1-CG 4.11Å; Y96-Y239 HydrophobicContact CD2-CD2 4.29Å; Y96-Y239 AromaticContact CG-CD2 3.59Å; Y96-Y239 HydrophobicContact CG-CD2 3.59Å; Y96-Y239 HydrophobicContact CG-CE2 4.12Å; Y96-Y239 HydrophobicContact CG-CG 4.35Å
97L91.7Very high93.2Very high17 Ų1738.6 Ų38.69%0.08918%0.182CC..EExtended strand (participates in β ladder)trans-110.6130.4169.8-62.897.5000110.1K106 L107 F108 W132 Y136 V145 F249L97-K106 HydrophobicContact CB-CG 4.26Å; L97-K106 HydrophobicContact CD2-CG 3.98Å; L97-L107 VanDerWaalsContact CA-O 3.31Å; L97-L107 WeakPolarHBondContact CA-O 3.49Å; L97-F108 HydrophobicContact CD1-CD2 4.14Å; L97-F108 HydrophobicContact CD1-CE2 4.34Å; L97-F108 HydrophobicContact CD2-CD2 4.09Å; L97-F108 HydrophobicContact CG-CD2 3.89Å; L97-W132 HydrophobicContact CD1-CB 4Å; L97-W132 HydrophobicContact CD1-CD2 4.09Å; L97-W132 HydrophobicContact CD1-CE3 3.63Å; L97-W132 HydrophobicContact CD1-CG 4.29Å; L97-W132 HydrophobicContact CD1-CZ3 4.42Å; L97-Y136 HydrophobicContact CD2-CD1 4.46Å; L97-Y136 HydrophobicContact CD2-CD2 3.53Å; L97-Y136 HydrophobicContact CD2-CE2 4.1Å; L97-Y136 HydrophobicContact CD2-CG 3.72Å; L97-V145 HydrophobicContact CD2-CG1 4.5Å; L97-F249 HydrophobicContact CD1-CE1 4.34Å; L97-F249 HydrophobicContact CD2-CE1 4.36Å
98H92.3Very high93.3Very high15 Ų1531.2 Ų31.27%0.06915%0.154CC..EExtended strand (participates in β ladder)trans-164.9132.4177.6177.760.5000111.9Y96 L107 W109 D235 F237 T251Y96-H98 HydrophobicContact CD2-CB 3.93Å; Y96-H98 HydrophobicContact CE2-CB 4Å; H98-L107 PolarHBondContact N-O 2.92Å; H98-L107 WeakPolarHBondContact O-CB 3.45Å; H98-W109 PolarHBondContact O-NE1 3.28Å; H98-D235 IonicContact CD2-OD2 2.73Å; H98-D235 PolarHBondContact CD2-OD2 3.19Å; H98-D235 VanDerWaalsContact CD2-OD2 3.23Å; H98-D235 IonicContact CE1-OD2 3.29Å; H98-D235 IonicContact NE2-OD1 3.43Å; H98-D235 PolarHBondContact NE2-OD1 3.28Å; H98-D235 IonicContact NE2-OD2 3.52Å; H98-D235 PolarHBondContact NE2-OD2 3.41Å; H98-F237 HydrophobicContact CB-CD1 4.25Å; H98-F237 HydrophobicContact CB-CE1 3.99Å; H98-F237 HydrophobicContact CB-CZ 4.18Å; H98-F237 AromaticContact CD2-CD1 3.57Å; H98-F237 AromaticContact CD2-CG 3.53Å; H98-F237 AromaticContact CE1-CD2 3.69Å; H98-F237 AromaticContact CE1-CG 3.76Å; H98-F237 AromaticContact CG-CD1 3.79Å; H98-F237 AromaticContact CG-CD2 3.99Å; H98-F237 AromaticContact CG-CE1 3.98Å; H98-F237 AromaticContact CG-CG 3.8Å; H98-F237 AromaticContact ND1-CD2 3.78Å; H98-F237 VanDerWaalsContact NE2-CB 3.3Å; H98-F237 WeakPolarHBondContact NE2-CB 3.45Å; H98-F237 AromaticContact NE2-CD2 3.93Å; H98-F237 AromaticContact NE2-CG 3.49Å; H98-F237 WeakPolarHBondContact NE2-CG 3.44Å; H98-T251 PolarHBondContact ND1-OG1 3.24Å
99G92.1Very high93.5Very high0 Ų025.9 Ų25.90%013%0.134CC..EExtended strand (participates in β ladder)trans73.3-178.4-177.800000114.6K106 L107 T251G99-K106 WeakPolarHBondContact O-CD 3.11Å; G99-L107 PolarHBondContact O-N 3.2Å; G99-T251 PolarHBondContact N-OG1 2.93Å
100Y93.5Very high93.6Very high31 Ų3125.8 Ų25.812%0.12213%0.133CC..EExtended strand (participates in β ladder)trans-134.3152.2-176.6-62.3-91.8000111.6G104 N105 K106 Y226 T251 L253Y100-G104 WeakPolarHBondContact CD1-O 3.32Å; Y100-N105 CarbonylContact C-O 3.59Å; Y100-N105 VanDerWaalsContact CA-O 3.32Å; Y100-N105 WeakPolarHBondContact CA-O 3.48Å; Y100-K106 HydrophobicContact CD1-CB 4.34Å; Y100-K106 HydrophobicContact CD1-CD 4.09Å; Y100-K106 HydrophobicContact CE1-CB 4.14Å; Y100-K106 HydrophobicContact CE1-CD 3.48Å; Y100-K106 VanDerWaalsContact CE1-CD 3.48Å; Y100-K106 HydrophobicContact CE1-CG 4.44Å; Y100-K106 HydrophobicContact CE2-CD 4.09Å; Y100-K106 VanDerWaalsContact CZ-CD 3.46Å; Y100-K106 PolarHBondContact OH-NZ 3.33Å; Y100-Y226 HydrophobicContact CD2-CE1 4.37Å; Y100-Y226 VanDerWaalsContact O-CD2 3.23Å; Y100-Y226 WeakPolarHBondContact O-CD2 3.43Å; Y100-T251 WeakPolarHBondContact CE2-O 3.2Å; Y100-L253 HydrophobicContact CD1-CD2 3.89Å; Y100-L253 HydrophobicContact CD2-CD2 3.58Å; Y100-L253 HydrophobicContact CD2-CG 4.39Å; Y100-L253 HydrophobicContact CE1-CD2 4.18Å; Y100-L253 HydrophobicContact CE2-CD2 3.92Å; Y100-L253 HydrophobicContact CE2-CG 4.27Å; Y100-L253 HydrophobicContact CG-CD2 3.59Å
101D95.7Very high93.8Very high6 Ų626.9 Ų26.93%0.03214%0.137CC..  trans-77.6172165.682.7-2.7000111.2E103 G104 N105 L107 T146 K181 Y221 V222D101-E103 PolarHBondContact O-N 2.95Å; D101-E103 VanDerWaalsContact O-N 3.07Å; D101-E103 WeakPolarHBondContact OD1-CA 3.31Å; D101-E103 WeakPolarHBondContact OD1-CB 3.43Å; D101-E103 PolarHBondContact OD1-N 2.88Å; D101-G104 PolarHBondContact O-N 2.91Å; D101-G104 PolarHBondContact OD1-N 2.7Å; D101-N105 PolarHBondContact N-O 2.77Å; D101-N105 WeakPolarHBondContact OD1-CB 3.28Å; D101-N105 PolarHBondContact OD1-N 2.9Å; D101-N105 PolarHBondContact OD1-ND2 2.95Å; D101-N105 PolarHBondContact OD2-ND2 2.73Å; D101-L107 HydrophobicContact CB-CD2 3.79Å; D101-T146 HydrophobicContact CB-CG2 4.2Å; D101-T146 WeakPolarHBondContact OD2-CB 3.38Å; D101-T146 PolarHBondContact OD2-OG1 2.87Å; D101-K181 IonicContact OD2-NZ 3.8Å; D101-K181 PolarHBondContact OD2-NZ 3.33Å; D101-Y221 WeakPolarHBondContact CB-O 3.39Å; D101-V222 HydrophobicContact CB-CG2 4.36Å
102K94.8Very high93.8Very high94 Ų9423.6 Ų23.641%0.40912%0.123SC..THydrogen-bonded Turntrans-65-8.8-179.2-73.7-172.4-179175.70115.3Q219 Y221K102-Q219 WeakPolarHBondContact CE-O 3.43Å; K102-Q219 PolarHBondContact NZ-O 3.32Å; K102-Y221 PolarHBondContact N-O 3.31Å
103E94.2Very high93.7Very high134 Ų13423.4 Ų23.463%0.62612%0.12SC*.THydrogen-bonded Turntrans-103.37.3176.7-70158.8-137.500111.4D101 N105 K181D101-E103 PolarHBondContact O-N 2.95Å; D101-E103 VanDerWaalsContact O-N 3.07Å; D101-E103 WeakPolarHBondContact OD1-CA 3.31Å; D101-E103 WeakPolarHBondContact OD1-CB 3.43Å; D101-E103 PolarHBondContact OD1-N 2.88Å; E103-N105 WeakPolarHBondContact CB-ND2 3.31Å; E103-K181 IonicContact OE1-NZ 3.75Å; E103-K181 PolarHBondContact OE1-NZ 2.75Å; E103-K181 IonicContact OE2-NZ 3.41Å; E103-K181 PolarHBondContact OE2-NZ 3.21Å
104G91.6Very high93.8Very high44 Ų4427.9 Ų27.945%0.45414%0.136SC..SBendtrans819.7178.400000114.8Y100 D101Y100-G104 WeakPolarHBondContact CD1-O 3.32Å; D101-G104 PolarHBondContact O-N 2.91Å; D101-G104 PolarHBondContact OD1-N 2.7Å
105N94.5Very high93.7Very high18 Ų1828.2 Ų28.210%0.09614%0.137CC..PPolyproline II helixtrans-79.8132.8176.7-50.3-71.4000109.9Y100 D101 E103 L107 P144 S180Y100-N105 CarbonylContact C-O 3.59Å; Y100-N105 VanDerWaalsContact CA-O 3.32Å; Y100-N105 WeakPolarHBondContact CA-O 3.48Å; D101-N105 PolarHBondContact N-O 2.77Å; D101-N105 WeakPolarHBondContact OD1-CB 3.28Å; D101-N105 PolarHBondContact OD1-N 2.9Å; D101-N105 PolarHBondContact OD1-ND2 2.95Å; D101-N105 PolarHBondContact OD2-ND2 2.73Å; E103-N105 WeakPolarHBondContact CB-ND2 3.31Å; N105-L107 PolarHBondContact O-N 3.12Å; N105-P144 WeakPolarHBondContact OD1-CG 3.34Å; N105-S180 PolarHBondContact ND2-OG 3.04Å
106K93.9Very high93.4Very high2 Ų233.9 Ų33.91%0.00917%0.166CC..EExtended strand (participates in β ladder)trans-61.7136.8177.3-165.179.9-172.1-174.50110.1L97 G99 Y100 Y136 V145 T146 F249 T251L97-K106 HydrophobicContact CB-CG 4.26Å; L97-K106 HydrophobicContact CD2-CG 3.98Å; G99-K106 WeakPolarHBondContact O-CD 3.11Å; Y100-K106 HydrophobicContact CD1-CB 4.34Å; Y100-K106 HydrophobicContact CD1-CD 4.09Å; Y100-K106 HydrophobicContact CE1-CB 4.14Å; Y100-K106 HydrophobicContact CE1-CD 3.48Å; Y100-K106 VanDerWaalsContact CE1-CD 3.48Å; Y100-K106 HydrophobicContact CE1-CG 4.44Å; Y100-K106 HydrophobicContact CE2-CD 4.09Å; Y100-K106 VanDerWaalsContact CZ-CD 3.46Å; Y100-K106 PolarHBondContact OH-NZ 3.33Å; K106-Y136 HydrophobicContact CB-CE2 3.56Å; K106-Y136 VanDerWaalsContact CB-OH 3.31Å; K106-Y136 WeakPolarHBondContact CB-OH 3.49Å; K106-Y136 HydrophobicContact CG-CE2 3.82Å; K106-V145 VanDerWaalsContact O-CA 3.31Å; K106-V145 WeakPolarHBondContact O-CA 3.1Å; K106-V145 WeakPolarHBondContact O-CB 3.36Å; K106-T146 PolarHBondContact O-N 3.12Å; K106-F249 PolarHBondContact NZ-O 3.43Å; K106-T251 PolarHBondContact NZ-OG1 3.32Å
107L96.3Very high93.3Very high0 Ų037.9 Ų37.90%018%0.184CC..EExtended strand (participates in β ladder)trans-80.1123.3176.3-52.7174.3000110.4L97 H98 G99 D101 N105 W109 T146 M148 V222L97-L107 VanDerWaalsContact CA-O 3.31Å; L97-L107 WeakPolarHBondContact CA-O 3.49Å; H98-L107 PolarHBondContact N-O 2.92Å; H98-L107 WeakPolarHBondContact O-CB 3.45Å; G99-L107 PolarHBondContact O-N 3.2Å; D101-L107 HydrophobicContact CB-CD2 3.79Å; N105-L107 PolarHBondContact O-N 3.12Å; L107-W109 HydrophobicContact CD1-CZ2 3.78Å; L107-T146 CarbonylContact C-O 3.56Å; L107-T146 WeakPolarHBondContact CA-O 3.39Å; L107-T146 HydrophobicContact CD2-CG2 3.93Å; L107-M148 HydrophobicContact CB-CG 4.02Å; L107-M148 HydrophobicContact CD1-CG 4.28Å; L107-M148 HydrophobicContact CD2-CG 3.89Å; L107-M148 HydrophobicContact CD2-SD 4.27Å; L107-M148 HydrophobicContact CG-CG 4.28Å; L107-V222 HydrophobicContact CD1-CG1 3.71Å; L107-V222 HydrophobicContact CD1-CG2 4.28Å; L107-V222 HydrophobicContact CD2-CG2 3.92Å
108F96.8Very high93.3Very high1 Ų139.9 Ų39.90%0.00419%0.194CC..EExtended strand (participates in β ladder)trans-100.6101.1171.7-172.8-84.3000108.6I95 L97 I110 I129 W132 L133 V145 T146 V147 M148I95-F108 HydrophobicContact CG2-CE1 3.72Å; I95-F108 HydrophobicContact CG2-CE2 4.21Å; I95-F108 HydrophobicContact CG2-CZ 3.49Å; I95-F108 VanDerWaalsContact CG2-CZ 3.49Å; L97-F108 HydrophobicContact CD1-CD2 4.14Å; L97-F108 HydrophobicContact CD1-CE2 4.34Å; L97-F108 HydrophobicContact CD2-CD2 4.09Å; L97-F108 HydrophobicContact CG-CD2 3.89Å; F108-I110 HydrophobicContact CD1-CD1 4.28Å; F108-I110 HydrophobicContact CD1-CG1 4.05Å; F108-I110 HydrophobicContact CE1-CD1 4.04Å; F108-I110 HydrophobicContact CE1-CG1 3.98Å; F108-I129 HydrophobicContact CZ-CG2 4.27Å; F108-W132 HydrophobicContact CE2-CB 3.74Å; F108-W132 HydrophobicContact CZ-CB 4.23Å; F108-L133 HydrophobicContact CD2-CD2 3.89Å; F108-L133 HydrophobicContact CE2-CD2 3.59Å; F108-L133 HydrophobicContact CE2-CG 3.89Å; F108-L133 HydrophobicContact CZ-CD2 4.09Å; F108-L133 HydrophobicContact CZ-CG 4.1Å; F108-V145 HydrophobicContact CB-CB 4.13Å; F108-V145 HydrophobicContact CB-CG2 4.1Å; F108-T146 PolarHBondContact N-O 3.35Å; F108-V147 HydrophobicContact CB-CG2 4.42Å; F108-V147 HydrophobicContact CD1-CG1 4.42Å; F108-V147 HydrophobicContact CD1-CG2 4.45Å; F108-V147 CarbonylContact O-C 3.42Å; F108-V147 WeakPolarHBondContact O-CA 3.48Å; F108-M148 PolarHBondContact O-N 3.15Å
109W96.6Very high93.2Very high2 Ų245.8 Ų45.81%0.00822%0.222CC..EExtended strand (participates in β ladder)trans-81.9138.5-173.5-69.288.5000112.1I95 Y96 H98 L107 M148 L227 P228 M231I95-W109 VanDerWaalsContact CA-O 3.3Å; I95-W109 WeakPolarHBondContact CA-O 3.41Å; Y96-W109 HydrophobicContact CD1-CB 4.1Å; Y96-W109 HydrophobicContact CD2-CB 3.9Å; Y96-W109 AromaticContact CD2-CD1 3.73Å; Y96-W109 AromaticContact CD2-CG 3.98Å; Y96-W109 HydrophobicContact CD2-CG 3.98Å; Y96-W109 HydrophobicContact CE1-CB 3.82Å; Y96-W109 HydrophobicContact CE1-CG 4.38Å; Y96-W109 HydrophobicContact CE2-CB 3.59Å; Y96-W109 AromaticContact CE2-CD1 3.3Å; Y96-W109 HydrophobicContact CE2-CD2 4.1Å; Y96-W109 AromaticContact CE2-CG 3.37Å; Y96-W109 HydrophobicContact CE2-CG 3.37Å; Y96-W109 AromaticContact CE2-NE1 3.95Å; Y96-W109 HydrophobicContact CG-CB 4.13Å; Y96-W109 AromaticContact CZ-CG 3.59Å; Y96-W109 PolarHBondContact N-O 3.45Å; Y96-W109 PolarHBondContact O-N 2.96Å; H98-W109 PolarHBondContact O-NE1 3.28Å; L107-W109 HydrophobicContact CD1-CZ2 3.78Å; W109-M148 HydrophobicContact CD2-CB 3.66Å; W109-M148 HydrophobicContact CD2-CG 4.12Å; W109-M148 HydrophobicContact CE3-CB 3.43Å; W109-M148 VanDerWaalsContact CE3-CB 3.43Å; W109-M148 HydrophobicContact CE3-CG 4.14Å; W109-M148 HydrophobicContact CG-CB 4.23Å; W109-M148 HydrophobicContact CH2-CB 4.23Å; W109-M148 HydrophobicContact CH2-CE 3.8Å; W109-M148 HydrophobicContact CH2-CG 4.11Å; W109-M148 HydrophobicContact CZ2-CB 4.43Å; W109-M148 HydrophobicContact CZ2-CG 4.08Å; W109-M148 HydrophobicContact CZ3-CB 3.74Å; W109-M148 HydrophobicContact CZ3-CE 3.9Å; W109-M148 HydrophobicContact CZ3-CG 4.13Å; W109-L227 HydrophobicContact CH2-CD2 4.28Å; W109-P228 HydrophobicContact CH2-CG 4.17Å; W109-M231 HydrophobicContact CH2-CE 4.35Å; W109-M231 HydrophobicContact CH2-SD 3.9Å; W109-M231 HydrophobicContact CZ3-CE 3.68Å; W109-M231 HydrophobicContact CZ3-SD 3.85Å
110I96.8Very high93.2Very high4 Ų454.7 Ų54.72%0.02126%0.261CS..EExtended strand (participates in β ladder)trans-130.5101.3169.6-53.9-175.9000107.8V94 I95 F108 V112 V147 M148 F149 D150 I167V94-I110 CarbonylContact O-C 3.19Å; V94-I110 WeakPolarHBondContact O-CA 3.45Å; I95-I110 HydrophobicContact CG1-CG1 4.41Å; F108-I110 HydrophobicContact CD1-CD1 4.28Å; F108-I110 HydrophobicContact CD1-CG1 4.05Å; F108-I110 HydrophobicContact CE1-CD1 4.04Å; F108-I110 HydrophobicContact CE1-CG1 3.98Å; I110-V112 HydrophobicContact CG2-CG2 4.43Å; I110-V112 PolarHBondContact O-N 2.86Å; I110-V147 HydrophobicContact CD1-CG1 3.88Å; I110-V147 HydrophobicContact CG1-CG1 4.24Å; I110-M148 PolarHBondContact N-O 3.04Å; I110-F149 HydrophobicContact CB-CD1 4.45Å; I110-F149 HydrophobicContact CD1-CD2 4.28Å; I110-F149 HydrophobicContact CD1-CE2 3.84Å; I110-F149 HydrophobicContact CD1-CZ 4.06Å; I110-F149 HydrophobicContact CG2-CD1 4.37Å; I110-F149 HydrophobicContact CG2-CE1 4.1Å; I110-F149 HydrophobicContact CG2-CZ 4.44Å; I110-D150 PolarHBondContact O-N 3.04Å; I110-I167 HydrophobicContact CD1-CD1 3.97Å; I110-I167 HydrophobicContact CD1-CG1 4.5Å; I110-I167 HydrophobicContact CD1-CG2 4.36Å
111R94.8Very high93.2Very high26 Ų2654.2 Ų54.210%0.09826%0.261CS..EExtended strand (participates in β ladder)trans-8590.4-179.9-62.1-60.4-55.1-110.712.4110V94 Y96 K113 Y114 D150 H230V94-R111 PolarHBondContact O-N 2.62Å; Y96-R111 HydrophobicContact CE1-CG 3.78Å; R111-K113 PolarHBondContact O-N 3.34Å; R111-K113 VanDerWaalsContact O-N 3.13Å; R111-Y114 HydrophobicContact CB-CD2 3.59Å; R111-Y114 HydrophobicContact CB-CE2 4.02Å; R111-Y114 HydrophobicContact CG-CD2 4.26Å; R111-Y114 HydrophobicContact CG-CE2 4.29Å; R111-Y114 PolarHBondContact O-N 2.9Å; R111-D150 IonicContact CZ-OD2 2.71Å; R111-D150 IonicContact NE-OD2 3.28Å; R111-D150 PolarHBondContact NE-OD2 2.85Å; R111-D150 IonicContact NH1-OD2 2.89Å; R111-D150 IonicContact NH2-OD2 3.33Å; R111-D150 PolarHBondContact NH2-OD2 3.33Å; R111-H230 PolarHBondContact NH2-CE1 3.39Å; R111-H230 VanDerWaalsContact NH2-CE1 3.3Å; R111-H230 PolarHBondContact NH2-NE2 3.11Å
112V93.3Very high93.1Very high12 Ų1255.2 Ų55.27%0.07327%0.266CS..G310 helixtrans-64-25-170.4-170.60000112.8I110 Y114 H115 F149 D150 L151 T154I110-V112 HydrophobicContact CG2-CG2 4.43Å; I110-V112 PolarHBondContact O-N 2.86Å; V112-Y114 PolarHBondContact O-N 3.22Å; V112-H115 WeakPolarHBondContact O-CB 3.25Å; V112-H115 PolarHBondContact O-N 2.77Å; V112-F149 HydrophobicContact CG2-CD1 3.59Å; V112-F149 HydrophobicContact CG2-CE1 3.88Å; V112-D150 WeakPolarHBondContact CB-O 3.3Å; V112-D150 WeakPolarHBondContact CG2-O 3.34Å; V112-D150 PolarHBondContact N-O 2.85Å; V112-L151 HydrophobicContact CB-CG 4.49Å; V112-L151 HydrophobicContact CG2-CD1 4.19Å; V112-L151 HydrophobicContact CG2-CG 4.12Å; V112-T154 HydrophobicContact CB-CG2 4.19Å; V112-T154 HydrophobicContact CG1-CG2 3.66Å
113K91.2Very high93.1Very high58 Ų5853.6 Ų53.625%0.25227%0.267SS..G310 helixtrans-60.9-21.9174.375.5179-169.5172.70114.8R111 E153 T154R111-K113 PolarHBondContact O-N 3.34Å; R111-K113 VanDerWaalsContact O-N 3.13Å; K113-E153 HydrophobicContact CB-CB 4.31Å; K113-E153 HydrophobicContact CD-CB 3.85Å; K113-E153 HydrophobicContact CD-CG 4.35Å; K113-E153 WeakPolarHBondContact CD-OE2 3.1Å; K113-E153 IonicContact NZ-OE1 3.3Å; K113-E153 PolarHBondContact NZ-OE1 3.4Å; K113-E153 IonicContact NZ-OE2 2.8Å; K113-E153 PolarHBondContact NZ-OE2 3.22Å; K113-T154 PolarHBondContact N-OG1 3.33Å
114Y91.4Very high93.1Very high97 Ų9749.2 Ų49.238%0.3825%0.248SC..G310 helixtrans-93.8-6.1174.2-57-46.9000113.1R111 V112R111-Y114 HydrophobicContact CB-CD2 3.59Å; R111-Y114 HydrophobicContact CB-CE2 4.02Å; R111-Y114 HydrophobicContact CG-CD2 4.26Å; R111-Y114 HydrophobicContact CG-CE2 4.29Å; R111-Y114 PolarHBondContact O-N 2.9Å; V112-Y114 PolarHBondContact O-N 3.22Å
115H90.5Very high93.3Very high15 Ų1547.7 Ų47.77%0.06923%0.229CC..  trans-83.5119.9175.1-178.759000111.4V94 V112 S158 D160 F163V94-H115 HydrophobicContact CG2-CB 4.34Å; V112-H115 WeakPolarHBondContact O-CB 3.25Å; V112-H115 PolarHBondContact O-N 2.77Å; H115-S158 PolarHBondContact CD2-O 3.44Å; H115-S158 WeakPolarHBondContact O-CB 3.42Å; H115-D160 IonicContact CE1-OD2 3.54Å; H115-D160 VanDerWaalsContact NE2-CB 3.26Å; H115-D160 WeakPolarHBondContact NE2-CB 3.37Å; H115-D160 IonicContact NE2-OD2 2.87Å; H115-D160 PolarHBondContact NE2-OD2 3.14Å; H115-D160 VanDerWaalsContact NE2-OD2 3.14Å; H115-F163 AromaticContact CE1-CD1 3.85Å; H115-F163 AromaticContact NE2-CD1 3.99Å
116I87.9Confident93.4Very high120 Ų12049.4 Ų49.462%0.61524%0.235SC*.  trans-107.6125170.4-59.8174.9000107.5D118 K125I116-D118 PolarHBondContact O-N 3.04Å; I116-K125 PolarHBondContact O-NZ 2.89Å
117K90.5Very high93.5Very high100 Ų10051.7 Ų51.744%0.43525%0.245SC..  trans-67115.7173.6-177.5173.7-170.2176.60110.1N157 D160K117-N157 WeakPolarHBondContact CB-O 3.49Å; K117-D160 HydrophobicContact CB-CB 4.32Å; K117-D160 HydrophobicContact CD-CB 4.23Å; K117-D160 HydrophobicContact CG-CB 4.19Å
118D90.5Very high93.5Very high58 Ų5851.8 Ų51.831%0.3125%0.245SC..  trans-153.1125.6176.5163.241.1000110.1I116 K120 T121 I122I116-D118 PolarHBondContact O-N 3.04Å; D118-K120 VanDerWaalsContact C-N 3.27Å; D118-K120 PolarHBondContact O-N 3.2Å; D118-K120 PolarHBondContact OD1-N 2.78Å; D118-T121 WeakPolarHBondContact CB-OG1 3.49Å; D118-T121 PolarHBondContact O-N 3.11Å; D118-T121 WeakPolarHBondContact OD2-CB 3.3Å; D118-T121 VanDerWaalsContact OD2-CG2 3.28Å; D118-T121 WeakPolarHBondContact OD2-CG2 3.42Å; D118-T121 PolarHBondContact OD2-N 2.99Å; D118-T121 VanDerWaalsContact OD2-N 3.14Å; D118-T121 PolarHBondContact OD2-OG1 3.41Å; D118-I122 PolarHBondContact O-N 3.26Å
119Q90.6Very high93.4Very high139 Ų13951.8 Ų51.865%0.6525%0.246SC*.SBendtrans-63.7-29.3179-77.6-80.2-1500112.7I122Q119-I122 WeakPolarHBondContact O-CG2 3.2Å
120K92.3Very high93.4Very high187 Ų18751.7 Ų51.781%0.81325%0.245SC*.SBendtrans-71.6-33-178.8-62-179.8179.2-179.20112.5D118D118-K120 VanDerWaalsContact C-N 3.27Å; D118-K120 PolarHBondContact O-N 3.2Å; D118-K120 PolarHBondContact OD1-N 2.78Å
121T92.8Very high93.3Very high22 Ų2252.1 Ų52.114%0.13525%0.247CC..SBendtrans-103.93.5-175.851.70000114W88 D118 S123 D124 K125W88-T121 HydrophobicContact CH2-CG2 4.23Å; W88-T121 HydrophobicContact CZ2-CG2 3.77Å; D118-T121 WeakPolarHBondContact CB-OG1 3.49Å; D118-T121 PolarHBondContact O-N 3.11Å; D118-T121 WeakPolarHBondContact OD2-CB 3.3Å; D118-T121 VanDerWaalsContact OD2-CG2 3.28Å; D118-T121 WeakPolarHBondContact OD2-CG2 3.42Å; D118-T121 PolarHBondContact OD2-N 2.99Å; D118-T121 VanDerWaalsContact OD2-N 3.14Å; D118-T121 PolarHBondContact OD2-OG1 3.41Å; T121-S123 VanDerWaalsContact C-N 3.35Å; T121-S123 PolarHBondContact O-N 3.39Å; T121-D124 PolarHBondContact O-N 3.21Å; T121-K125 WeakPolarHBondContact O-CD 3.48Å; T121-K125 WeakPolarHBondContact O-CG 3.38Å; T121-K125 PolarHBondContact O-N 2.94Å; T121-K125 VanDerWaalsContact O-N 3.09Å; T121-K125 PolarHBondContact OG1-NZ 3.36Å
122I93.4Very high93.3Very high27 Ų2751.5 Ų51.514%0.13825%0.245CC..Hα-helixtrans-64.1-37.4-177.9-163.2172.7000112.5D118 Q119 K125 K126 D162D118-I122 PolarHBondContact O-N 3.26Å; Q119-I122 WeakPolarHBondContact O-CG2 3.2Å; I122-K125 PolarHBondContact O-N 3.42Å; I122-K126 WeakPolarHBondContact O-CG 3.49Å; I122-K126 PolarHBondContact O-N 3.33Å; I122-D162 HydrophobicContact CD1-CB 4.16Å
123S94.9Very high93.3Very high59 Ų5951 Ų5141%0.41324%0.241SC..Hα-helixtrans-63.4-47.7178.1-1690000111.2T121 K125 K126 K127T121-S123 VanDerWaalsContact C-N 3.35Å; T121-S123 PolarHBondContact O-N 3.39Å; S123-K125 VanDerWaalsContact C-N 3.32Å; S123-K125 PolarHBondContact O-N 3.27Å; S123-K126 WeakPolarHBondContact O-CB 3.4Å; S123-K126 PolarHBondContact O-N 3.3Å; S123-K126 VanDerWaalsContact O-N 3.15Å; S123-K127 WeakPolarHBondContact O-CG 3.41Å; S123-K127 PolarHBondContact O-N 3.44Å
124D95.3Very high93.4Very high43 Ų4348.7 Ų48.723%0.2323%0.231CC..Hα-helixtrans-64.4-36.7179.5-54.7-36.5000112.2P86 L89 T121 K127 L128P86-D124 HydrophobicContact CG-CB 3.88Å; L89-D124 HydrophobicContact CD1-CB 3.47Å; L89-D124 VanDerWaalsContact CD1-CB 3.47Å; T121-D124 PolarHBondContact O-N 3.21Å; D124-K127 PolarHBondContact O-N 3.33Å; D124-L128 PolarHBondContact O-N 3.07Å
125K95Very high93.2Very high12 Ų1248.1 Ų48.15%0.05223%0.229CC..Hα-helixtrans-66.6-37.9173.9-70.9164.8-179.4154.60112.5L89 I116 T121 I122 S123 L128 I129 F163L89-K125 HydrophobicContact CD1-CG 4.29Å; L89-K125 HydrophobicContact CD2-CG 3.9Å; I116-K125 PolarHBondContact O-NZ 2.89Å; T121-K125 WeakPolarHBondContact O-CD 3.48Å; T121-K125 WeakPolarHBondContact O-CG 3.38Å; T121-K125 PolarHBondContact O-N 2.94Å; T121-K125 VanDerWaalsContact O-N 3.09Å; T121-K125 PolarHBondContact OG1-NZ 3.36Å; I122-K125 PolarHBondContact O-N 3.42Å; S123-K125 VanDerWaalsContact C-N 3.32Å; S123-K125 PolarHBondContact O-N 3.27Å; K125-L128 PolarHBondContact O-N 3.02Å; K125-I129 PolarHBondContact O-N 3.2Å; K125-F163 HydrophobicContact CB-CD2 4.41Å; K125-F163 HydrophobicContact CB-CE2 3.64Å; K125-F163 HydrophobicContact CB-CZ 4Å
126K96.1Very high93.2Very high54 Ų5447.6 Ų47.624%0.23523%0.226CC..Hα-helixtrans-64.1-43.8172-71.2-178.1176.8-177.70111.1I122 S123 L128 I129 A130 F166I122-K126 WeakPolarHBondContact O-CG 3.49Å; I122-K126 PolarHBondContact O-N 3.33Å; S123-K126 WeakPolarHBondContact O-CB 3.4Å; S123-K126 PolarHBondContact O-N 3.3Å; S123-K126 VanDerWaalsContact O-N 3.15Å; K126-L128 PolarHBondContact O-N 3.33Å; K126-I129 PolarHBondContact O-N 3.25Å; K126-A130 PolarHBondContact O-N 3.35Å; K126-A130 VanDerWaalsContact O-N 3.07Å; K126-F166 HydrophobicContact CB-CD1 4.16Å; K126-F166 HydrophobicContact CB-CD2 4.46Å; K126-F166 HydrophobicContact CB-CE1 3.72Å; K126-F166 HydrophobicContact CB-CE2 4.06Å; K126-F166 HydrophobicContact CB-CG 4.5Å; K126-F166 HydrophobicContact CB-CZ 3.66Å; K126-F166 HydrophobicContact CD-CD1 4.41Å; K126-F166 HydrophobicContact CD-CD2 3.77Å; K126-F166 HydrophobicContact CD-CE2 4.02Å; K126-F166 HydrophobicContact CD-CG 3.97Å; K126-F166 HydrophobicContact CD-CZ 4.43Å; K126-F166 HydrophobicContact CG-CB 4.47Å; K126-F166 HydrophobicContact CG-CD1 3.66Å; K126-F166 HydrophobicContact CG-CD2 3.91Å; K126-F166 HydrophobicContact CG-CE1 3.77Å; K126-F166 HydrophobicContact CG-CE2 4.02Å; K126-F166 HydrophobicContact CG-CG 3.71Å; K126-F166 HydrophobicContact CG-CZ 3.94Å
127K96.7Very high93.2Very high50 Ų5042.5 Ų42.522%0.21720%0.202CC..Hα-helixtrans-62-38.5175-71.1-179174.3-1770112.5I75 L80 I85 S123 D124 I129 A130 F131I75-K127 HydrophobicContact CB-CG 4.37Å; L80-K127 HydrophobicContact CD2-CB 3.97Å; L80-K127 HydrophobicContact CD2-CD 4.14Å; L80-K127 HydrophobicContact CD2-CG 3.99Å; I85-K127 HydrophobicContact CD1-CB 3.57Å; S123-K127 WeakPolarHBondContact O-CG 3.41Å; S123-K127 PolarHBondContact O-N 3.44Å; D124-K127 PolarHBondContact O-N 3.33Å; K127-I129 PolarHBondContact O-N 2.72Å; K127-A130 PolarHBondContact O-N 3.4Å; K127-F131 VanDerWaalsContact O-CB 3.28Å; K127-F131 WeakPolarHBondContact O-CB 3.28Å; K127-F131 PolarHBondContact O-N 2.78Å
128L95.9Very high92.9Very high1 Ų144.1 Ų44.11%0.00521%0.209CC..Hα-helixtrans-60.8-43.3176177.164.4000112.2I85 L89 L90 V94 I95 D124 K125 K126 W132I85-L128 HydrophobicContact CG2-CB 4.46Å; I85-L128 HydrophobicContact CG2-CD1 4.2Å; L89-L128 HydrophobicContact CB-CD2 4.25Å; L89-L128 WeakPolarHBondContact O-CD2 3.5Å; L90-L128 HydrophobicContact CD2-CD1 3.78Å; V94-L128 HydrophobicContact CG1-CD2 3.66Å; I95-L128 HydrophobicContact CB-CD2 4.32Å; I95-L128 HydrophobicContact CB-CG 4.47Å; I95-L128 HydrophobicContact CD1-CD2 3.85Å; I95-L128 HydrophobicContact CD1-CG 4.04Å; D124-L128 PolarHBondContact O-N 3.07Å; K125-L128 PolarHBondContact O-N 3.02Å; K126-L128 PolarHBondContact O-N 3.33Å; L128-W132 VanDerWaalsContact O-CD1 3.23Å; L128-W132 PolarHBondContact O-N 2.87Å
129I96.1Very high92.7Very high2 Ų246.9 Ų46.91%0.0122%0.215CC..Hα-helixtrans-61.8-49.6173.5-68170.5000110.4I95 F108 K125 K126 K127 F131 W132 L133 F163 F166 I167I95-I129 HydrophobicContact CD1-CD1 4.15Å; I95-I129 HydrophobicContact CD1-CG1 3.37Å; I95-I129 HydrophobicContact CG1-CG1 4.4Å; F108-I129 HydrophobicContact CZ-CG2 4.27Å; K125-I129 PolarHBondContact O-N 3.2Å; K126-I129 PolarHBondContact O-N 3.25Å; K127-I129 PolarHBondContact O-N 2.72Å; I129-F131 VanDerWaalsContact C-N 3.32Å; I129-F131 PolarHBondContact O-N 2.72Å; I129-W132 PolarHBondContact O-N 2.66Å; I129-L133 HydrophobicContact CG2-CD1 3.69Å; I129-L133 HydrophobicContact CG2-CG 4.19Å; I129-L133 WeakPolarHBondContact O-CB 3.11Å; I129-L133 WeakPolarHBondContact O-CG 3.4Å; I129-L133 PolarHBondContact O-N 3.14Å; I129-F163 HydrophobicContact CD1-CE1 4.2Å; I129-F163 HydrophobicContact CD1-CE2 3.57Å; I129-F163 HydrophobicContact CD1-CZ 3.35Å; I129-F163 HydrophobicContact CG1-CZ 4.22Å; I129-F166 HydrophobicContact CB-CE1 4.03Å; I129-F166 HydrophobicContact CD1-CD1 4.02Å; I129-F166 HydrophobicContact CD1-CE1 3.86Å; I129-F166 HydrophobicContact CG2-CE1 4.15Å; I129-I167 HydrophobicContact CD1-CD1 4.06Å; I129-I167 HydrophobicContact CD1-CG1 3.55Å
130A96.4Very high92.4Very high0 Ų042.4 Ų42.40%019%0.194CC..Hα-helixtrans-62.4-38.8-178.100000112.2W71 I75 L80 K126 K127 L133 E134W71-A130 HydrophobicContact CH2-CB 4.1Å; W71-A130 HydrophobicContact CZ2-CB 4.04Å; I75-A130 HydrophobicContact CD1-CB 3.43Å; I75-A130 VanDerWaalsContact CD1-CB 3.43Å; L80-A130 HydrophobicContact CD1-CB 3.59Å; K126-A130 PolarHBondContact O-N 3.35Å; K126-A130 VanDerWaalsContact O-N 3.07Å; K127-A130 PolarHBondContact O-N 3.4Å; A130-L133 PolarHBondContact O-N 3.42Å; A130-E134 WeakPolarHBondContact O-CB 3.46Å; A130-E134 PolarHBondContact O-N 2.94Å
131F94.8Very high91.8Very high12 Ų1240.2 Ų40.25%0.05319%0.191CC..Hα-helixtrans-58.3-50.5174168.6-97.3000111.6E82 I85 L90 K127 I129 R135E82-F131 HydrophobicContact CG-CE2 4.27Å; E82-F131 HydrophobicContact CG-CZ 4.02Å; I85-F131 HydrophobicContact CD1-CB 4.3Å; I85-F131 HydrophobicContact CG1-CB 4.43Å; I85-F131 HydrophobicContact CG1-CG 4.42Å; L90-F131 HydrophobicContact CD2-CD1 4.48Å; L90-F131 HydrophobicContact CD2-CE1 4.17Å; K127-F131 VanDerWaalsContact O-CB 3.28Å; K127-F131 WeakPolarHBondContact O-CB 3.28Å; K127-F131 PolarHBondContact O-N 2.78Å; I129-F131 VanDerWaalsContact C-N 3.32Å; I129-F131 PolarHBondContact O-N 2.72Å; F131-R135 VanDerWaalsContact O-CB 3.25Å; F131-R135 WeakPolarHBondContact O-CB 3.33Å; F131-R135 PolarHBondContact O-N 3.35Å
132W93.3Very high90.9Very high14 Ų1440.1 Ų40.15%0.05320%0.195CC..Hα-helixtrans-66.9-41.7179.1-77.1122.9000113I95 L97 F108 L128 I129 Y136I95-W132 HydrophobicContact CG2-CB 4.5Å; I95-W132 HydrophobicContact CG2-CG 4.25Å; I95-W132 PolarHBondContact O-NE1 3.24Å; L97-W132 HydrophobicContact CD1-CB 4Å; L97-W132 HydrophobicContact CD1-CD2 4.09Å; L97-W132 HydrophobicContact CD1-CE3 3.63Å; L97-W132 HydrophobicContact CD1-CG 4.29Å; L97-W132 HydrophobicContact CD1-CZ3 4.42Å; F108-W132 HydrophobicContact CE2-CB 3.74Å; F108-W132 HydrophobicContact CZ-CB 4.23Å; L128-W132 VanDerWaalsContact O-CD1 3.23Å; L128-W132 PolarHBondContact O-N 2.87Å; I129-W132 PolarHBondContact O-N 2.66Å; W132-Y136 WeakPolarHBondContact O-CB 3.48Å; W132-Y136 PolarHBondContact O-N 3.02Å
133L94.2Very high90.7Very high0 Ų044.5 Ų44.50%021%0.213CC..Hα-helixtrans-65.4-45.7176.8-71.1178.4000112F108 I129 A130 Y136 A137 C170 F171 Y175F108-L133 HydrophobicContact CD2-CD2 3.89Å; F108-L133 HydrophobicContact CE2-CD2 3.59Å; F108-L133 HydrophobicContact CE2-CG 3.89Å; F108-L133 HydrophobicContact CZ-CD2 4.09Å; F108-L133 HydrophobicContact CZ-CG 4.1Å; I129-L133 HydrophobicContact CG2-CD1 3.69Å; I129-L133 HydrophobicContact CG2-CG 4.19Å; I129-L133 WeakPolarHBondContact O-CB 3.11Å; I129-L133 WeakPolarHBondContact O-CG 3.4Å; I129-L133 PolarHBondContact O-N 3.14Å; A130-L133 PolarHBondContact O-N 3.42Å; L133-Y136 PolarHBondContact O-N 2.92Å; L133-A137 WeakPolarHBondContact O-CB 3.32Å; L133-A137 PolarHBondContact O-N 2.9Å; L133-C170 HydrophobicContact CD1-CB 3.98Å; L133-F171 HydrophobicContact CD1-CE1 4.43Å; L133-F171 HydrophobicContact CD1-CZ 4.28Å; L133-F171 HydrophobicContact CD2-CE1 4Å; L133-F171 HydrophobicContact CD2-CZ 3.98Å; L133-Y175 HydrophobicContact CB-CD2 4.41Å; L133-Y175 HydrophobicContact CB-CE1 4.29Å; L133-Y175 HydrophobicContact CB-CE2 3.96Å; L133-Y175 HydrophobicContact CD1-CD2 3.78Å; L133-Y175 HydrophobicContact CD1-CE2 3.73Å
134E92.3Very high90.5Very high10 Ų1043.8 Ų43.85%0.04721%0.207CC..Hα-helixtrans-68.3-35179.6-17478-175.800111.8R72 V77 A130 A137 K138R72-E134 IonicContact CZ-OE1 3.14Å; R72-E134 IonicContact CZ-OE2 2.71Å; R72-E134 IonicContact NH1-OE1 3.64Å; R72-E134 IonicContact NH1-OE2 3.93Å; R72-E134 PolarHBondContact NH1-OE2 3.39Å; R72-E134 IonicContact NH2-OE1 3.55Å; R72-E134 PolarHBondContact NH2-OE1 2.95Å; R72-E134 IonicContact NH2-OE2 3.49Å; R72-E134 PolarHBondContact NH2-OE2 3.25Å; V77-E134 HydrophobicContact CG1-CB 4.36Å; V77-E134 HydrophobicContact CG1-CG 3.96Å; A130-E134 WeakPolarHBondContact O-CB 3.46Å; A130-E134 PolarHBondContact O-N 2.94Å; E134-A137 WeakPolarHBondContact O-CB 3.35Å; E134-K138 HydrophobicContact CG-CD 4.22Å; E134-K138 WeakPolarHBondContact O-CB 3.38Å; E134-K138 WeakPolarHBondContact O-CG 3.34Å; E134-K138 PolarHBondContact O-N 3.42Å; E134-K138 VanDerWaalsContact O-N 3.15Å; E134-K138 WeakPolarHBondContact OE1-CE 3.1Å; E134-K138 IonicContact OE1-NZ 2.86Å; E134-K138 PolarHBondContact OE1-NZ 3.03Å
135R88.8Confident90.6Very high85 Ų8541.7 Ų41.732%0.32120%0.196SC..Hα-helixtrans-65.4-45.7173.6-169.2-175.8178.580-3.9111.3F131 R139 D248 F249F131-R135 VanDerWaalsContact O-CB 3.25Å; F131-R135 WeakPolarHBondContact O-CB 3.33Å; F131-R135 PolarHBondContact O-N 3.35Å; R135-R139 PolarHBondContact O-N 3.33Å; R135-D248 IonicContact CZ-OD1 2.7Å; R135-D248 IonicContact CZ-OD2 2.77Å; R135-D248 IonicContact NE-OD1 3.16Å; R135-D248 IonicContact NH2-OD1 3.78Å; R135-D248 PolarHBondContact NH2-OD1 3.2Å; R135-D248 IonicContact NH2-OD2 2.95Å; R135-D248 PolarHBondContact NH2-OD2 2.65Å; R135-F249 HydrophobicContact CB-CZ 4.38Å; R135-F249 HydrophobicContact CG-CE2 3.95Å; R135-F249 HydrophobicContact CG-CZ 3.8Å
136Y89.4Confident90.7Very high5 Ų541.1 Ų41.12%0.0219%0.193CC..Hα-helixtrans-66.7-43.1175.9-180-102.4000111.9L97 K106 W132 L133 K138 R139 E140 K143 P144 V145 F249L97-Y136 HydrophobicContact CD2-CD1 4.46Å; L97-Y136 HydrophobicContact CD2-CD2 3.53Å; L97-Y136 HydrophobicContact CD2-CE2 4.1Å; L97-Y136 HydrophobicContact CD2-CG 3.72Å; K106-Y136 HydrophobicContact CB-CE2 3.56Å; K106-Y136 VanDerWaalsContact CB-OH 3.31Å; K106-Y136 WeakPolarHBondContact CB-OH 3.49Å; K106-Y136 HydrophobicContact CG-CE2 3.82Å; W132-Y136 WeakPolarHBondContact O-CB 3.48Å; W132-Y136 PolarHBondContact O-N 3.02Å; L133-Y136 PolarHBondContact O-N 2.92Å; Y136-K138 VanDerWaalsContact C-N 3.33Å; Y136-K138 PolarHBondContact O-N 3.18Å; Y136-R139 PolarHBondContact O-N 2.71Å; Y136-R139 VanDerWaalsContact O-N 3.14Å; Y136-E140 HydrophobicContact CD2-CB 4.29Å; Y136-E140 HydrophobicContact CD2-CG 3.85Å; Y136-E140 HydrophobicContact CE1-CB 4.37Å; Y136-E140 HydrophobicContact CE2-CB 3.92Å; Y136-E140 HydrophobicContact CE2-CG 3.47Å; Y136-E140 VanDerWaalsContact CE2-CG 3.47Å; Y136-E140 PolarHBondContact O-N 2.9Å; Y136-K143 VanDerWaalsContact CE1-O 3.28Å; Y136-K143 WeakPolarHBondContact CE1-O 3.48Å; Y136-P144 PolarHBondContact OH-O 3.41Å; Y136-V145 HydrophobicContact CD1-CG1 3.62Å; Y136-V145 HydrophobicContact CE1-CG1 3.19Å; Y136-V145 HydrophobicContact CE2-CG1 4.49Å; Y136-V145 HydrophobicContact CG-CG1 4.42Å; Y136-F249 HydrophobicContact CD2-CD1 4.05Å; Y136-F249 AromaticContact CD2-CE1 3.75Å; Y136-F249 HydrophobicContact CD2-CE1 3.75Å; Y136-F249 HydrophobicContact CG-CE1 4.39Å
137A88.3Confident90.8Very high12 Ų1238.6 Ų38.610%0.09918%0.182CC..Hα-helixtrans-50.5-50.4176.100000112.8L133 E134 N141 G142 Y178L133-A137 WeakPolarHBondContact O-CB 3.32Å; L133-A137 PolarHBondContact O-N 2.9Å; E134-A137 WeakPolarHBondContact O-CB 3.35Å; A137-N141 WeakPolarHBondContact O-CA 3.3Å; A137-N141 PolarHBondContact O-N 2.98Å; A137-G142 PolarHBondContact O-N 3.46Å; A137-Y178 VanDerWaalsContact CA-OH 3.22Å; A137-Y178 WeakPolarHBondContact CA-OH 3.41Å; A137-Y178 HydrophobicContact CB-CE1 3.51Å; A137-Y178 WeakPolarHBondContact CB-OH 3.43Å
138K85.1Confident90.9Very high134 Ų13436.2 Ų36.258%0.58317%0.172SC*.Hα-helixtrans-69.9-32.3-179.1-76166.5167.51520112.9E134 Y136E134-K138 HydrophobicContact CG-CD 4.22Å; E134-K138 WeakPolarHBondContact O-CB 3.38Å; E134-K138 WeakPolarHBondContact O-CG 3.34Å; E134-K138 PolarHBondContact O-N 3.42Å; E134-K138 VanDerWaalsContact O-N 3.15Å; E134-K138 WeakPolarHBondContact OE1-CE 3.1Å; E134-K138 IonicContact OE1-NZ 2.86Å; E134-K138 PolarHBondContact OE1-NZ 3.03Å; Y136-K138 VanDerWaalsContact C-N 3.33Å; Y136-K138 PolarHBondContact O-N 3.18Å
139R84.9Confident90.9Very high117 Ų11737.5 Ų37.544%0.44218%0.177SC..Hα-helixtrans-84.3-44.4-176.9-172.5175.1178.7139.8-6.3113.4R135 Y136 D248 F249R135-R139 PolarHBondContact O-N 3.33Å; Y136-R139 PolarHBondContact O-N 2.71Å; Y136-R139 VanDerWaalsContact O-N 3.14Å; R139-D248 IonicContact NH1-OD2 3.84Å; R139-D248 PolarHBondContact NH1-OD2 3.49Å; R139-F249 VanDerWaalsContact NH1-CD2 3.29Å
140E84Confident90.9Very high45 Ų4537.5 Ų37.521%0.2118%0.177CC..THydrogen-bonded Turntrans-100.615.4-175.2-67-59141.600113.2Y136 G142 K143Y136-E140 HydrophobicContact CD2-CB 4.29Å; Y136-E140 HydrophobicContact CD2-CG 3.85Å; Y136-E140 HydrophobicContact CE1-CB 4.37Å; Y136-E140 HydrophobicContact CE2-CB 3.92Å; Y136-E140 HydrophobicContact CE2-CG 3.47Å; Y136-E140 VanDerWaalsContact CE2-CG 3.47Å; Y136-E140 PolarHBondContact O-N 2.9Å; E140-G142 PolarHBondContact O-N 2.95Å; E140-K143 HydrophobicContact CB-CB 4.37Å; E140-K143 HydrophobicContact CB-CD 4.26Å; E140-K143 WeakPolarHBondContact O-CG 3.36Å; E140-K143 PolarHBondContact O-N 2.88Å; E140-K143 VanDerWaalsContact O-N 3.14Å; E140-K143 IonicContact OE2-NZ 2.76Å; E140-K143 PolarHBondContact OE2-NZ 3.19Å
141N81.2Confident90.8Very high140 Ų14037.9 Ų37.975%0.74918%0.179SC*.THydrogen-bonded Turntrans48.935.6176.7-158.654.3000114.2A137A137-N141 WeakPolarHBondContact O-CA 3.3Å; A137-N141 PolarHBondContact O-N 2.98Å
142G74Confident90.7Very high21 Ų2137.6 Ų37.622%0.21618%0.179CC..THydrogen-bonded Turntrans74.426.6178.200000117.8A137 E140 Y178A137-G142 PolarHBondContact O-N 3.46Å; E140-G142 PolarHBondContact O-N 2.95Å; G142-Y178 WeakPolarHBondContact CA-OH 3.49Å
143K87.4Confident90.4Very high119 Ų11943.4 Ų43.452%0.51721%0.207SC..  trans-51.9144.9156.8-69.1172.8-163.5164.90110.4Y136 E140Y136-K143 VanDerWaalsContact CE1-O 3.28Å; Y136-K143 WeakPolarHBondContact CE1-O 3.48Å; E140-K143 HydrophobicContact CB-CB 4.37Å; E140-K143 HydrophobicContact CB-CD 4.26Å; E140-K143 WeakPolarHBondContact O-CG 3.36Å; E140-K143 PolarHBondContact O-N 2.88Å; E140-K143 VanDerWaalsContact O-N 3.14Å; E140-K143 IonicContact OE2-NZ 2.76Å; E140-K143 PolarHBondContact OE2-NZ 3.19Å
144P92.5Very high89.9Confident43 Ų4344.4 Ų44.428%0.27921%0.212SC..  trans-68.3163.2176.225.3-32.1000113.6N105 Y136 Y178N105-P144 WeakPolarHBondContact OD1-CG 3.34Å; Y136-P144 PolarHBondContact OH-O 3.41Å; P144-Y178 CarbonylContact C-O 3.58Å; P144-Y178 VanDerWaalsContact CA-O 3.3Å; P144-Y178 WeakPolarHBondContact CA-O 3.38Å
145V96Very high89.1Confident0 Ų046.3 Ų46.30%024%0.235CC..EExtended strand (participates in β ladder)trans-116.1155169.9-61.10000111L97 K106 F108 Y136 V147 F171 Y178 S180L97-V145 HydrophobicContact CD2-CG1 4.5Å; K106-V145 VanDerWaalsContact O-CA 3.31Å; K106-V145 WeakPolarHBondContact O-CA 3.1Å; K106-V145 WeakPolarHBondContact O-CB 3.36Å; F108-V145 HydrophobicContact CB-CB 4.13Å; F108-V145 HydrophobicContact CB-CG2 4.1Å; Y136-V145 HydrophobicContact CD1-CG1 3.62Å; Y136-V145 HydrophobicContact CE1-CG1 3.19Å; Y136-V145 HydrophobicContact CE2-CG1 4.49Å; Y136-V145 HydrophobicContact CG-CG1 4.42Å; V145-V147 HydrophobicContact CG2-CG2 4.28Å; V145-F171 HydrophobicContact CG2-CE1 3.88Å; V145-F171 HydrophobicContact CG2-CZ 4.17Å; V145-Y178 WeakPolarHBondContact CG2-O 3.31Å; V145-Y178 PolarHBondContact N-O 2.8Å; V145-S180 WeakPolarHBondContact O-CB 3.41Å; V145-S180 PolarHBondContact O-N 2.83Å
146T98Very high88.3Confident0 Ų047.4 Ų47.40%025%0.246CC..EExtended strand (participates in β ladder)trans-104119.2163.8-79.70000108.6D101 K106 L107 F108 M148 K181 V183D101-T146 HydrophobicContact CB-CG2 4.2Å; D101-T146 WeakPolarHBondContact OD2-CB 3.38Å; D101-T146 PolarHBondContact OD2-OG1 2.87Å; K106-T146 PolarHBondContact O-N 3.12Å; L107-T146 CarbonylContact C-O 3.56Å; L107-T146 WeakPolarHBondContact CA-O 3.39Å; L107-T146 HydrophobicContact CD2-CG2 3.93Å; F108-T146 PolarHBondContact N-O 3.35Å; T146-M148 PolarHBondContact O-N 3.31Å; T146-K181 WeakPolarHBondContact CA-O 3.47Å; T146-K181 HydrophobicContact CG2-CD 4.21Å; T146-K181 HydrophobicContact CG2-CG 3.73Å; T146-V183 HydrophobicContact CG2-CG2 3.85Å
147V98.3Very high87.7Confident0 Ų054.2 Ų54.20%028%0.283CS..EExtended strand (participates in β ladder)trans-82.9116.5-177.9179.90000109.4F108 I110 V145 F149 F171 L179 K181 I182 V183F108-V147 HydrophobicContact CB-CG2 4.42Å; F108-V147 HydrophobicContact CD1-CG1 4.42Å; F108-V147 HydrophobicContact CD1-CG2 4.45Å; F108-V147 CarbonylContact O-C 3.42Å; F108-V147 WeakPolarHBondContact O-CA 3.48Å; I110-V147 HydrophobicContact CD1-CG1 3.88Å; I110-V147 HydrophobicContact CG1-CG1 4.24Å; V145-V147 HydrophobicContact CG2-CG2 4.28Å; V147-F149 HydrophobicContact CG1-CD2 3.77Å; V147-F149 HydrophobicContact CG1-CE2 4.2Å; V147-F149 PolarHBondContact O-N 2.89Å; V147-F171 HydrophobicContact CG2-CE1 4.46Å; V147-F171 HydrophobicContact CG2-CE2 3.65Å; V147-F171 HydrophobicContact CG2-CZ 3.57Å; V147-L179 HydrophobicContact CB-CD1 4.48Å; V147-L179 HydrophobicContact CG2-CD1 3.72Å; V147-K181 PolarHBondContact N-O 2.68Å; V147-I182 HydrophobicContact CB-CB 4.45Å; V147-I182 HydrophobicContact CB-CG1 4.16Å; V147-I182 HydrophobicContact CB-CG2 4.2Å; V147-I182 HydrophobicContact CG1-CG2 4.27Å; V147-I182 CarbonylContact O-C 3.59Å; V147-I182 WeakPolarHBondContact O-CA 3.4Å; V147-V183 PolarHBondContact O-N 2.79Å
148M98.1Very high87.3Confident0 Ų054.1 Ų54.10%028%0.282CS..EExtended strand (participates in β ladder)trans-91.993.5174.4-70.4-61.6-61.100109.8L107 F108 W109 I110 T146 D150 V183 V218 V222 L227 M231L107-M148 HydrophobicContact CB-CG 4.02Å; L107-M148 HydrophobicContact CD1-CG 4.28Å; L107-M148 HydrophobicContact CD2-CG 3.89Å; L107-M148 HydrophobicContact CD2-SD 4.27Å; L107-M148 HydrophobicContact CG-CG 4.28Å; F108-M148 PolarHBondContact O-N 3.15Å; W109-M148 HydrophobicContact CD2-CB 3.66Å; W109-M148 HydrophobicContact CD2-CG 4.12Å; W109-M148 HydrophobicContact CE3-CB 3.43Å; W109-M148 VanDerWaalsContact CE3-CB 3.43Å; W109-M148 HydrophobicContact CE3-CG 4.14Å; W109-M148 HydrophobicContact CG-CB 4.23Å; W109-M148 HydrophobicContact CH2-CB 4.23Å; W109-M148 HydrophobicContact CH2-CE 3.8Å; W109-M148 HydrophobicContact CH2-CG 4.11Å; W109-M148 HydrophobicContact CZ2-CB 4.43Å; W109-M148 HydrophobicContact CZ2-CG 4.08Å; W109-M148 HydrophobicContact CZ3-CB 3.74Å; W109-M148 HydrophobicContact CZ3-CE 3.9Å; W109-M148 HydrophobicContact CZ3-CG 4.13Å; I110-M148 PolarHBondContact N-O 3.04Å; T146-M148 PolarHBondContact O-N 3.31Å; M148-D150 PolarHBondContact O-N 3.4Å; M148-V183 HydrophobicContact CE-CB 4.34Å; M148-V183 HydrophobicContact CE-CG1 4.03Å; M148-V183 HydrophobicContact SD-CB 3.59Å; M148-V183 VanDerWaalsContact SD-CB 3.59Å; M148-V183 HydrophobicContact SD-CG1 3.89Å; M148-V183 HydrophobicContact SD-CG2 4.02Å; M148-V218 HydrophobicContact CE-CG2 4.2Å; M148-V222 HydrophobicContact CE-CG2 4.42Å; M148-V222 HydrophobicContact SD-CG2 3.87Å; M148-L227 HydrophobicContact CE-CD2 4.38Å; M148-M231 HydrophobicContact CE-SD 4.18Å
149F96.6Very high87.3Confident29 Ų2949.9 Ų49.913%0.12727%0.265CS..EExtended strand (participates in β ladder)trans-80.3102170.6-109.4-80.5000109.4I110 V112 V147 L151 I167 I182 V183 I184 F185I110-F149 HydrophobicContact CB-CD1 4.45Å; I110-F149 HydrophobicContact CD1-CD2 4.28Å; I110-F149 HydrophobicContact CD1-CE2 3.84Å; I110-F149 HydrophobicContact CD1-CZ 4.06Å; I110-F149 HydrophobicContact CG2-CD1 4.37Å; I110-F149 HydrophobicContact CG2-CE1 4.1Å; I110-F149 HydrophobicContact CG2-CZ 4.44Å; V112-F149 HydrophobicContact CG2-CD1 3.59Å; V112-F149 HydrophobicContact CG2-CE1 3.88Å; V147-F149 HydrophobicContact CG1-CD2 3.77Å; V147-F149 HydrophobicContact CG1-CE2 4.2Å; V147-F149 PolarHBondContact O-N 2.89Å; F149-L151 HydrophobicContact CB-CD1 3.85Å; F149-L151 HydrophobicContact CD1-CD1 3.96Å; F149-L151 HydrophobicContact CG-CD1 4.37Å; F149-L151 WeakPolarHBondContact O-CD1 3.4Å; F149-I167 HydrophobicContact CE2-CD1 4.31Å; F149-I167 HydrophobicContact CE2-CG2 4.02Å; F149-I167 HydrophobicContact CZ-CD1 3.67Å; F149-I167 HydrophobicContact CZ-CG2 4.41Å; F149-I182 HydrophobicContact CB-CG2 4.44Å; F149-I182 HydrophobicContact CD2-CG2 3.69Å; F149-I182 HydrophobicContact CE2-CG2 4.47Å; F149-V183 PolarHBondContact N-O 3.37Å; F149-I184 HydrophobicContact CB-CG1 4.28Å; F149-F185 PolarHBondContact O-N 3.16Å
150D96.1Very high87.6Confident1 Ų144.7 Ų44.71%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-93.2105.7175.8-17711.1000110.7I110 R111 V112 M148 S152 F185 H230 M231I110-D150 PolarHBondContact O-N 3.04Å; R111-D150 IonicContact CZ-OD2 2.71Å; R111-D150 IonicContact NE-OD2 3.28Å; R111-D150 PolarHBondContact NE-OD2 2.85Å; R111-D150 IonicContact NH1-OD2 2.89Å; R111-D150 IonicContact NH2-OD2 3.33Å; R111-D150 PolarHBondContact NH2-OD2 3.33Å; V112-D150 WeakPolarHBondContact CB-O 3.3Å; V112-D150 WeakPolarHBondContact CG2-O 3.34Å; V112-D150 PolarHBondContact N-O 2.85Å; M148-D150 PolarHBondContact O-N 3.4Å; D150-S152 VanDerWaalsContact CG-OG 3.25Å; D150-S152 VanDerWaalsContact OD1-CB 3.23Å; D150-S152 WeakPolarHBondContact OD1-CB 3.32Å; D150-S152 PolarHBondContact OD1-N 3.32Å; D150-S152 PolarHBondContact OD1-OG 2.95Å; D150-S152 PolarHBondContact OD2-OG 3.15Å; D150-F185 WeakPolarHBondContact OD1-CD1 3.46Å; D150-H230 IonicContact OD1-NE2 2.77Å; D150-H230 IonicContact OD2-CE1 2.76Å; D150-H230 IonicContact OD2-NE2 2.76Å; D150-H230 PolarHBondContact OD2-NE2 3.16Å; D150-M231 HydrophobicContact CB-CE 3.63Å; D150-M231 WeakPolarHBondContact OD1-CE 3.33Å; D150-M231 WeakPolarHBondContact OD2-CE 3.4Å
151L93.9Very high87.9Confident9 Ų944.2 Ų44.25%0.04724%0.244CC..  trans-98.25.5176.7-67.774.8000112.7V112 F149 T154 I184 F185 M187 M191V112-L151 HydrophobicContact CB-CG 4.49Å; V112-L151 HydrophobicContact CG2-CD1 4.19Å; V112-L151 HydrophobicContact CG2-CG 4.12Å; F149-L151 HydrophobicContact CB-CD1 3.85Å; F149-L151 HydrophobicContact CD1-CD1 3.96Å; F149-L151 HydrophobicContact CG-CD1 4.37Å; F149-L151 WeakPolarHBondContact O-CD1 3.4Å; L151-T154 VanDerWaalsContact C-OG1 3.28Å; L151-T154 WeakPolarHBondContact CA-OG1 3.49Å; L151-T154 WeakPolarHBondContact O-CB 3.29Å; L151-T154 PolarHBondContact O-N 3.4Å; L151-T154 PolarHBondContact O-OG1 3.06Å; L151-I184 HydrophobicContact CD1-CG2 3.76Å; L151-I184 HydrophobicContact CD2-CG2 4.46Å; L151-F185 WeakPolarHBondContact CB-O 3.37Å; L151-F185 PolarHBondContact N-O 3.25Å; L151-M187 HydrophobicContact CD2-CB 4.41Å; L151-M187 HydrophobicContact CD2-CG 4.14Å; L151-M191 HydrophobicContact CD2-CE 3.65Å; L151-M191 HydrophobicContact CD2-SD 3.75Å
152S91.8Very high88.5Confident6 Ų641.3 Ų41.34%0.04223%0.228CC..THydrogen-bonded Turntrans-58146.2172.564.80000111.1D150 T154 H230D150-S152 VanDerWaalsContact CG-OG 3.25Å; D150-S152 VanDerWaalsContact OD1-CB 3.23Å; D150-S152 WeakPolarHBondContact OD1-CB 3.32Å; D150-S152 PolarHBondContact OD1-N 3.32Å; D150-S152 PolarHBondContact OD1-OG 2.95Å; D150-S152 PolarHBondContact OD2-OG 3.15Å; S152-T154 PolarHBondContact O-N 2.95Å; S152-T154 PolarHBondContact O-OG1 3.14Å; S152-H230 PolarHBondContact OG-CD2 2.93Å; S152-H230 VanDerWaalsContact OG-CD2 3.29Å; S152-H230 PolarHBondContact OG-NE2 2.97Å
153E88.1Confident89.4Confident136 Ų13640.7 Ų40.764%0.63622%0.22SC*.THydrogen-bonded Turntrans58.310.8-176.6-54.4162.9-120.200115.1K113K113-E153 HydrophobicContact CB-CB 4.31Å; K113-E153 HydrophobicContact CD-CB 3.85Å; K113-E153 HydrophobicContact CD-CG 4.35Å; K113-E153 WeakPolarHBondContact CD-OE2 3.1Å; K113-E153 IonicContact NZ-OE1 3.3Å; K113-E153 PolarHBondContact NZ-OE1 3.4Å; K113-E153 IonicContact NZ-OE2 2.8Å; K113-E153 PolarHBondContact NZ-OE2 3.22Å
154T84.1Confident89.8Confident20 Ų2036.8 Ų36.812%0.12321%0.206CC..  trans-82.3123.3-171.4-63.80000112.8V112 K113 L151 S152 S158V112-T154 HydrophobicContact CB-CG2 4.19Å; V112-T154 HydrophobicContact CG1-CG2 3.66Å; K113-T154 PolarHBondContact N-OG1 3.33Å; L151-T154 VanDerWaalsContact C-OG1 3.28Å; L151-T154 WeakPolarHBondContact CA-OG1 3.49Å; L151-T154 WeakPolarHBondContact O-CB 3.29Å; L151-T154 PolarHBondContact O-N 3.4Å; L151-T154 PolarHBondContact O-OG1 3.06Å; S152-T154 PolarHBondContact O-N 2.95Å; S152-T154 PolarHBondContact O-OG1 3.14Å; T154-S158 WeakPolarHBondContact CG2-OG 3.45Å
155G75.5Confident89.9Confident50 Ų5040.1 Ų40.152%0.51521%0.213SC..  trans-86162.1173.900000113.9N157 S158G155-N157 PolarHBondContact O-N 3.31Å; G155-N157 VanDerWaalsContact O-N 3.08Å; G155-S158 PolarHBondContact O-N 3.31Å; G155-S158 PolarHBondContact O-OG 2.93Å
156I71Confident89.9Confident109 Ų10940.6 Ų40.656%0.55922%0.215SC*.G310 helixtrans-58-28.8-175.8-57.2169.2000112.9S158 I159 L190I156-S158 PolarHBondContact O-N 3Å; I156-I159 HydrophobicContact CG2-CD1 4.14Å; I156-I159 WeakPolarHBondContact O-CG1 3.15Å; I156-I159 PolarHBondContact O-N 3.31Å; I156-L190 HydrophobicContact CD1-CD2 3.5Å; I156-L190 HydrophobicContact CG1-CD2 3.85Å
157N76.2Confident89.9Confident147 Ų14740.8 Ų40.879%0.78622%0.216SC*.G310 helixtrans-70.6-10.3-175.3-62.9-11.4000114.4K117 G155K117-N157 WeakPolarHBondContact CB-O 3.49Å; G155-N157 PolarHBondContact O-N 3.31Å; G155-N157 VanDerWaalsContact O-N 3.08Å
158S80.7Confident89.7Confident11 Ų1141.5 Ų41.58%0.07722%0.22CC..G310 helixtrans-87-6.1174.568.30000113.5H115 T154 G155 I156 D160H115-S158 PolarHBondContact CD2-O 3.44Å; H115-S158 WeakPolarHBondContact O-CB 3.42Å; T154-S158 WeakPolarHBondContact CG2-OG 3.45Å; G155-S158 PolarHBondContact O-N 3.31Å; G155-S158 PolarHBondContact O-OG 2.93Å; I156-S158 PolarHBondContact O-N 3Å; S158-D160 PolarHBondContact O-N 3.37Å
159I84.3Confident89.6Confident45 Ų4543.2 Ų43.223%0.23123%0.229CC..  trans-69.697.5-176.1-59174.5000109.9I156 M161 M191 A194I156-I159 HydrophobicContact CG2-CD1 4.14Å; I156-I159 WeakPolarHBondContact O-CG1 3.15Å; I156-I159 PolarHBondContact O-N 3.31Å; I159-M161 HydrophobicContact CG2-SD 4.02Å; I159-M191 HydrophobicContact CD1-CG 3.78Å; I159-M191 HydrophobicContact CD1-SD 4.38Å; I159-M191 HydrophobicContact CG1-CE 4.12Å; I159-M191 HydrophobicContact CG1-CG 4.22Å; I159-M191 HydrophobicContact CG1-SD 4.2Å; I159-A194 HydrophobicContact CG2-CB 4.14Å
160D91Very high89.6Confident7 Ų741.9 Ų41.94%0.03722%0.223CC..  trans-118.888-174.9-166-14.8000110.8H115 K117 S158 D162 F163 V164H115-D160 IonicContact CE1-OD2 3.54Å; H115-D160 VanDerWaalsContact NE2-CB 3.26Å; H115-D160 WeakPolarHBondContact NE2-CB 3.37Å; H115-D160 IonicContact NE2-OD2 2.87Å; H115-D160 PolarHBondContact NE2-OD2 3.14Å; H115-D160 VanDerWaalsContact NE2-OD2 3.14Å; K117-D160 HydrophobicContact CB-CB 4.32Å; K117-D160 HydrophobicContact CD-CB 4.23Å; K117-D160 HydrophobicContact CG-CB 4.19Å; S158-D160 PolarHBondContact O-N 3.37Å; D160-D162 PolarHBondContact O-N 3.03Å; D160-D162 PolarHBondContact OD1-N 3.2Å; D160-F163 HydrophobicContact CB-CB 3.92Å; D160-F163 PolarHBondContact O-N 2.94Å; D160-F163 PolarHBondContact OD1-N 3.23Å; D160-V164 WeakPolarHBondContact O-CG2 3.26Å; D160-V164 PolarHBondContact O-N 3.29Å
161M91.4Very high89.5Confident36 Ų3642.1 Ų42.118%0.17722%0.224CC..Hα-helixtrans-60.7-29.9-177.9-60.5-51.2-56.400112.8I159 R165 A194 I197 V198 W201I159-M161 HydrophobicContact CG2-SD 4.02Å; M161-R165 VanDerWaalsContact O-CB 3.32Å; M161-R165 WeakPolarHBondContact O-CB 3.32Å; M161-R165 PolarHBondContact O-N 3.04Å; M161-A194 HydrophobicContact CE-CB 4.33Å; M161-A194 HydrophobicContact SD-CB 3.71Å; M161-I197 HydrophobicContact CE-CB 3.91Å; M161-I197 HydrophobicContact CE-CG2 3.88Å; M161-V198 HydrophobicContact CE-CG2 4Å; M161-W201 HydrophobicContact CB-CH2 4.03Å; M161-W201 HydrophobicContact CE-CH2 3.38Å; M161-W201 HydrophobicContact CE-CZ2 3.92Å; M161-W201 HydrophobicContact CE-CZ3 4.05Å; M161-W201 VanDerWaalsContact O-CH2 3.25Å; M161-W201 WeakPolarHBondContact O-CH2 3.3Å
162D93.6Very high89.4Confident78 Ų7846 Ų4642%0.41724%0.24SC..Hα-helixtrans-74.9-38.6-179.6-58.1-41.1000110.7I122 D160 F166I122-D162 HydrophobicContact CD1-CB 4.16Å; D160-D162 PolarHBondContact O-N 3.03Å; D160-D162 PolarHBondContact OD1-N 3.2Å; D162-F166 PolarHBondContact O-N 3.32Å
163F93.9Very high89.6Confident9 Ų945.9 Ų45.94%0.03924%0.239CC..Hα-helixtrans-68.9-41.1172.9-165.8-121.5000112.5I95 H115 K125 I129 D160 R165 F166 I167I95-F163 HydrophobicContact CD1-CZ 4.43Å; H115-F163 AromaticContact CE1-CD1 3.85Å; H115-F163 AromaticContact NE2-CD1 3.99Å; K125-F163 HydrophobicContact CB-CD2 4.41Å; K125-F163 HydrophobicContact CB-CE2 3.64Å; K125-F163 HydrophobicContact CB-CZ 4Å; I129-F163 HydrophobicContact CD1-CE1 4.2Å; I129-F163 HydrophobicContact CD1-CE2 3.57Å; I129-F163 HydrophobicContact CD1-CZ 3.35Å; I129-F163 HydrophobicContact CG1-CZ 4.22Å; D160-F163 HydrophobicContact CB-CB 3.92Å; D160-F163 PolarHBondContact O-N 2.94Å; D160-F163 PolarHBondContact OD1-N 3.23Å; F163-R165 PolarHBondContact O-N 3.5Å; F163-F166 WeakPolarHBondContact O-CB 3.47Å; F163-F166 PolarHBondContact O-N 3.24Å; F163-I167 HydrophobicContact CD1-CD1 3.95Å; F163-I167 HydrophobicContact CE1-CD1 3.9Å; F163-I167 HydrophobicContact CZ-CD1 4.43Å; F163-I167 WeakPolarHBondContact O-CG1 3.49Å; F163-I167 PolarHBondContact O-N 2.94Å
164V94.1Very high89.9Confident37 Ų3740.4 Ų40.422%0.22421%0.213CC..Hα-helixtrans-64-40.8174.4175.20000111.5D160 F166 I167 I168 V198 W201D160-V164 WeakPolarHBondContact O-CG2 3.26Å; D160-V164 PolarHBondContact O-N 3.29Å; V164-F166 VanDerWaalsContact C-N 3.31Å; V164-F166 PolarHBondContact O-N 3.46Å; V164-I167 PolarHBondContact O-N 2.65Å; V164-I168 HydrophobicContact CG1-CD1 4.05Å; V164-I168 WeakPolarHBondContact O-CG1 3.36Å; V164-I168 PolarHBondContact O-N 3.38Å; V164-V198 HydrophobicContact CG1-CG2 3.77Å; V164-W201 HydrophobicContact CB-CZ3 4.47Å; V164-W201 HydrophobicContact CG1-CZ3 4.18Å
165R95.7Very high90.3Very high113 Ų11339.9 Ų39.943%0.42621%0.209SC..Hα-helixtrans-60.4-42.2173.6-176.3-171.8-66.1-965.1111.4M161 F163 I168 N169 W201M161-R165 VanDerWaalsContact O-CB 3.32Å; M161-R165 WeakPolarHBondContact O-CB 3.32Å; M161-R165 PolarHBondContact O-N 3.04Å; F163-R165 PolarHBondContact O-N 3.5Å; R165-I168 PolarHBondContact O-N 2.84Å; R165-N169 PolarHBondContact O-N 3.3Å; R165-W201 HydrophobicContact CB-CE3 4.11Å; R165-W201 HydrophobicContact CB-CH2 3.97Å; R165-W201 HydrophobicContact CB-CZ3 3.68Å; R165-W201 HydrophobicContact CG-CE3 4.42Å; R165-W201 HydrophobicContact CG-CZ3 4.44Å
166F96.7Very high90.9Very high10 Ų1037.7 Ų37.74%0.04419%0.185CC..Hα-helixtrans-61.5-44.5176.3171.7-99.8000112.5W71 K126 I129 D162 F163 V164 I168 N169 C170 Y174W71-F166 HydrophobicContact CZ2-CE2 4.1Å; W71-F166 HydrophobicContact CZ2-CZ 4.09Å; W71-F166 AromaticContact NE1-CE2 3.52Å; K126-F166 HydrophobicContact CB-CD1 4.16Å; K126-F166 HydrophobicContact CB-CD2 4.46Å; K126-F166 HydrophobicContact CB-CE1 3.72Å; K126-F166 HydrophobicContact CB-CE2 4.06Å; K126-F166 HydrophobicContact CB-CG 4.5Å; K126-F166 HydrophobicContact CB-CZ 3.66Å; K126-F166 HydrophobicContact CD-CD1 4.41Å; K126-F166 HydrophobicContact CD-CD2 3.77Å; K126-F166 HydrophobicContact CD-CE2 4.02Å; K126-F166 HydrophobicContact CD-CG 3.97Å; K126-F166 HydrophobicContact CD-CZ 4.43Å; K126-F166 HydrophobicContact CG-CB 4.47Å; K126-F166 HydrophobicContact CG-CD1 3.66Å; K126-F166 HydrophobicContact CG-CD2 3.91Å; K126-F166 HydrophobicContact CG-CE1 3.77Å; K126-F166 HydrophobicContact CG-CE2 4.02Å; K126-F166 HydrophobicContact CG-CG 3.71Å; K126-F166 HydrophobicContact CG-CZ 3.94Å; I129-F166 HydrophobicContact CB-CE1 4.03Å; I129-F166 HydrophobicContact CD1-CD1 4.02Å; I129-F166 HydrophobicContact CD1-CE1 3.86Å; I129-F166 HydrophobicContact CG2-CE1 4.15Å; D162-F166 PolarHBondContact O-N 3.32Å; F163-F166 WeakPolarHBondContact O-CB 3.47Å; F163-F166 PolarHBondContact O-N 3.24Å; V164-F166 VanDerWaalsContact C-N 3.31Å; V164-F166 PolarHBondContact O-N 3.46Å; F166-I168 VanDerWaalsContact C-N 3.3Å; F166-I168 PolarHBondContact O-N 3.34Å; F166-N169 PolarHBondContact O-N 3.26Å; F166-N169 VanDerWaalsContact O-N 3.14Å; F166-C170 VanDerWaalsContact CE1-SG 3.56Å; F166-C170 VanDerWaalsContact CZ-SG 3.55Å; F166-C170 PolarHBondContact O-N 3.04Å; F166-C170 PolarHBondContact O-SG 3.23Å; F166-Y174 HydrophobicContact CD2-CE2 4.46Å; F166-Y174 HydrophobicContact CE2-CE2 4.2Å
167I96Very high91.7Very high4 Ų436.5 Ų36.52%0.02118%0.176CC..Hα-helixtrans-60.5-40.7176.2-67.6160.8000111.1I110 I129 F149 F163 V164 C170 F171I110-I167 HydrophobicContact CD1-CD1 3.97Å; I110-I167 HydrophobicContact CD1-CG1 4.5Å; I110-I167 HydrophobicContact CD1-CG2 4.36Å; I129-I167 HydrophobicContact CD1-CD1 4.06Å; I129-I167 HydrophobicContact CD1-CG1 3.55Å; F149-I167 HydrophobicContact CE2-CD1 4.31Å; F149-I167 HydrophobicContact CE2-CG2 4.02Å; F149-I167 HydrophobicContact CZ-CD1 3.67Å; F149-I167 HydrophobicContact CZ-CG2 4.41Å; F163-I167 HydrophobicContact CD1-CD1 3.95Å; F163-I167 HydrophobicContact CE1-CD1 3.9Å; F163-I167 HydrophobicContact CZ-CD1 4.43Å; F163-I167 WeakPolarHBondContact O-CG1 3.49Å; F163-I167 PolarHBondContact O-N 2.94Å; V164-I167 PolarHBondContact O-N 2.65Å; I167-C170 WeakPolarHBondContact O-CB 3.42Å; I167-C170 PolarHBondContact O-N 3.23Å; I167-F171 HydrophobicContact CG2-CE2 4.23Å; I167-F171 VanDerWaalsContact O-CD2 3.32Å; I167-F171 WeakPolarHBondContact O-CD2 3.37Å
168I94.9Very high92.4Very high15 Ų1531.1 Ų31.18%0.07715%0.145CC..Hα-helixtrans-62.9-43.9174.5-72.9161.5000111.2V164 R165 F166 C170 F171 K172 V198 W201 L202V164-I168 HydrophobicContact CG1-CD1 4.05Å; V164-I168 WeakPolarHBondContact O-CG1 3.36Å; V164-I168 PolarHBondContact O-N 3.38Å; R165-I168 PolarHBondContact O-N 2.84Å; F166-I168 VanDerWaalsContact C-N 3.3Å; F166-I168 PolarHBondContact O-N 3.34Å; I168-C170 VanDerWaalsContact C-N 3.31Å; I168-C170 PolarHBondContact O-N 3.05Å; I168-F171 PolarHBondContact O-N 3.42Å; I168-K172 HydrophobicContact CG2-CD 4.37Å; I168-K172 WeakPolarHBondContact O-CB 3.23Å; I168-K172 PolarHBondContact O-N 3.37Å; I168-V198 HydrophobicContact CD1-CG1 3.84Å; I168-W201 HydrophobicContact CD1-CE3 3.75Å; I168-W201 HydrophobicContact CD1-CZ3 4.25Å; I168-L202 HydrophobicContact CD1-CD2 4.3Å; I168-L202 HydrophobicContact CD1-CG 4.5Å; I168-L202 HydrophobicContact CG1-CD2 4.25Å; I168-L202 HydrophobicContact CG2-CD2 3.55Å
169N96.1Very high93.1Very high36 Ų3631.8 Ų31.819%0.19315%0.148CC..Hα-helixtrans-65.1-32.1177.7-80.114.6000112.9R165 F166 F171 K172 V173 Y174R165-N169 PolarHBondContact O-N 3.3Å; F166-N169 PolarHBondContact O-N 3.26Å; F166-N169 VanDerWaalsContact O-N 3.14Å; N169-F171 VanDerWaalsContact C-N 3.3Å; N169-F171 PolarHBondContact O-N 3.31Å; N169-K172 PolarHBondContact O-N 3.46Å; N169-V173 WeakPolarHBondContact O-CB 3.32Å; N169-V173 PolarHBondContact O-N 3.01Å; N169-Y174 HydrophobicContact CB-CE2 3.74Å; N169-Y174 PolarHBondContact O-N 3.18Å
170C96.3Very high93.6Very high0 Ų030.9 Ų30.90%015%0.145CC..Iπ-helixtrans-52.4-48.8173.3-66.40000111.4L133 F166 I167 I168 Y174 Y175L133-C170 HydrophobicContact CD1-CB 3.98Å; F166-C170 VanDerWaalsContact CE1-SG 3.56Å; F166-C170 VanDerWaalsContact CZ-SG 3.55Å; F166-C170 PolarHBondContact O-N 3.04Å; F166-C170 PolarHBondContact O-SG 3.23Å; I167-C170 WeakPolarHBondContact O-CB 3.42Å; I167-C170 PolarHBondContact O-N 3.23Å; I168-C170 VanDerWaalsContact C-N 3.31Å; I168-C170 PolarHBondContact O-N 3.05Å; C170-Y174 PolarHBondContact O-N 3.07Å; C170-Y175 HydrophobicContact CB-CD2 4.33Å; C170-Y175 WeakPolarHBondContact O-CB 3.4Å; C170-Y175 PolarHBondContact O-N 2.97Å
171F94.6Very high93.9Very high7 Ų731 Ų313%0.03115%0.146CC..Iπ-helixtrans-89.7-20.5-178.2-58.4-69.3000114.3W53 L133 V145 V147 I167 I168 N169 L179W53-F171 VanDerWaalsContact CZ2-O 3.29Å; W53-F171 WeakPolarHBondContact CZ2-O 3.22Å; L133-F171 HydrophobicContact CD1-CE1 4.43Å; L133-F171 HydrophobicContact CD1-CZ 4.28Å; L133-F171 HydrophobicContact CD2-CE1 4Å; L133-F171 HydrophobicContact CD2-CZ 3.98Å; V145-F171 HydrophobicContact CG2-CE1 3.88Å; V145-F171 HydrophobicContact CG2-CZ 4.17Å; V147-F171 HydrophobicContact CG2-CE1 4.46Å; V147-F171 HydrophobicContact CG2-CE2 3.65Å; V147-F171 HydrophobicContact CG2-CZ 3.57Å; I167-F171 HydrophobicContact CG2-CE2 4.23Å; I167-F171 VanDerWaalsContact O-CD2 3.32Å; I167-F171 WeakPolarHBondContact O-CD2 3.37Å; I168-F171 PolarHBondContact O-N 3.42Å; N169-F171 VanDerWaalsContact C-N 3.3Å; N169-F171 PolarHBondContact O-N 3.31Å; F171-L179 HydrophobicContact CB-CB 3.83Å; F171-L179 HydrophobicContact CB-CD2 3.86Å; F171-L179 HydrophobicContact CB-CG 4.39Å; F171-L179 HydrophobicContact CD1-CB 3.73Å; F171-L179 HydrophobicContact CD1-CD1 4.33Å; F171-L179 HydrophobicContact CD1-CG 4.49Å; F171-L179 HydrophobicContact CD2-CD1 4.35Å; F171-L179 HydrophobicContact CD2-CD2 4.38Å; F171-L179 HydrophobicContact CE1-CB 4.49Å; F171-L179 HydrophobicContact CE1-CD1 4.49Å; F171-L179 HydrophobicContact CG-CB 3.85Å; F171-L179 HydrophobicContact CG-CD1 4.25Å; F171-L179 HydrophobicContact CG-CD2 4.1Å; F171-L179 HydrophobicContact CG-CG 4.3Å
172K92.3Very high94.2Very high90 Ų9029.9 Ų29.939%0.39114%0.14SC..Iπ-helixtrans-84.2-30.4179.7-175.1179.7179-177.30113.5W53 R54 I168 N169 W201W53-K172 PolarHBondContact NE1-O 3.05Å; R54-K172 PolarHBondContact NH2-O 2.9Å; I168-K172 HydrophobicContact CG2-CD 4.37Å; I168-K172 WeakPolarHBondContact O-CB 3.23Å; I168-K172 PolarHBondContact O-N 3.37Å; N169-K172 PolarHBondContact O-N 3.46Å; K172-W201 PolarHBondContact NZ-O 3.37Å
173V94.4Very high94.4Very high4 Ų426.1 Ų26.12%0.02412%0.12CC..Iπ-helixtrans-129.9-50.4-169.9-172.90000112.6M64 E67 N169M64-V173 WeakPolarHBondContact CE-O 3.41Å; M64-V173 HydrophobicContact CG-CG1 4.27Å; E67-V173 HydrophobicContact CB-CG1 3.95Å; E67-V173 HydrophobicContact CG-CG1 3.89Å; N169-V173 WeakPolarHBondContact O-CB 3.32Å; N169-V173 PolarHBondContact O-N 3.01Å
174Y95.1Very high94.6Very high20 Ų2026.7 Ų26.78%0.07812%0.123CC..Iπ-helixtrans-87.2-32.6-164.9-48.2-34.8000114.3W71 F166 N169 C170W71-Y174 HydrophobicContact CB-CD1 4.06Å; W71-Y174 HydrophobicContact CB-CE1 3.61Å; W71-Y174 AromaticContact CD1-CE2 3.82Å; W71-Y174 AromaticContact CD1-CZ 3.83Å; W71-Y174 AromaticContact CD2-CD1 3.79Å; W71-Y174 HydrophobicContact CD2-CD1 3.79Å; W71-Y174 AromaticContact CD2-CD2 3.46Å; W71-Y174 HydrophobicContact CD2-CD2 3.46Å; W71-Y174 VanDerWaalsContact CD2-CD2 3.46Å; W71-Y174 AromaticContact CD2-CE1 3.98Å; W71-Y174 HydrophobicContact CD2-CE1 3.98Å; W71-Y174 AromaticContact CD2-CE2 3.68Å; W71-Y174 HydrophobicContact CD2-CE2 3.68Å; W71-Y174 AromaticContact CD2-CG 3.57Å; W71-Y174 HydrophobicContact CD2-CG 3.57Å; W71-Y174 AromaticContact CD2-CZ 3.94Å; W71-Y174 AromaticContact CE2-CD2 3.53Å; W71-Y174 AromaticContact CE2-CE2 3.7Å; W71-Y174 AromaticContact CE3-CD1 3.66Å; W71-Y174 HydrophobicContact CE3-CD1 3.66Å; W71-Y174 AromaticContact CE3-CD2 3.69Å; W71-Y174 HydrophobicContact CE3-CD2 3.69Å; W71-Y174 HydrophobicContact CE3-CE1 4.3Å; W71-Y174 HydrophobicContact CE3-CE2 4.34Å; W71-Y174 AromaticContact CE3-CG 3.35Å; W71-Y174 HydrophobicContact CE3-CG 3.35Å; W71-Y174 AromaticContact CG-CD1 3.96Å; W71-Y174 HydrophobicContact CG-CD1 3.96Å; W71-Y174 HydrophobicContact CG-CD2 4.01Å; W71-Y174 AromaticContact CG-CE1 3.65Å; W71-Y174 HydrophobicContact CG-CE1 3.65Å; W71-Y174 AromaticContact CG-CE2 3.72Å; W71-Y174 HydrophobicContact CG-CE2 3.72Å; W71-Y174 HydrophobicContact CG-CG 4.17Å; W71-Y174 AromaticContact CG-CZ 3.55Å; W71-Y174 HydrophobicContact CH2-CD2 4.02Å; W71-Y174 HydrophobicContact CH2-CG 4.22Å; W71-Y174 AromaticContact CZ2-CD2 3.79Å; W71-Y174 HydrophobicContact CZ2-CD2 3.79Å; W71-Y174 HydrophobicContact CZ2-CE2 4.33Å; W71-Y174 HydrophobicContact CZ2-CG 4.38Å; W71-Y174 VanDerWaalsContact CZ3-CB 3.49Å; W71-Y174 HydrophobicContact CZ3-CD1 4.45Å; W71-Y174 AromaticContact CZ3-CD2 3.99Å; W71-Y174 HydrophobicContact CZ3-CD2 3.99Å; W71-Y174 AromaticContact CZ3-CG 3.73Å; W71-Y174 HydrophobicContact CZ3-CG 3.73Å; W71-Y174 AromaticContact NE1-CE2 3.82Å; F166-Y174 HydrophobicContact CD2-CE2 4.46Å; F166-Y174 HydrophobicContact CE2-CE2 4.2Å; N169-Y174 HydrophobicContact CB-CE2 3.74Å; N169-Y174 PolarHBondContact O-N 3.18Å; C170-Y174 PolarHBondContact O-N 3.07Å
175Y92.6Very high94.8Very high10 Ų1025.2 Ų25.24%0.03911%0.114CC..SBendtrans-130.371.2179.7-57.4-83.9000109.4W71 L133 C170 Y178W71-Y175 AromaticContact CH2-CE2 3.71Å; W71-Y175 HydrophobicContact CH2-CE2 3.71Å; W71-Y175 HydrophobicContact CZ3-CE2 4.12Å; L133-Y175 HydrophobicContact CB-CD2 4.41Å; L133-Y175 HydrophobicContact CB-CE1 4.29Å; L133-Y175 HydrophobicContact CB-CE2 3.96Å; L133-Y175 HydrophobicContact CD1-CD2 3.78Å; L133-Y175 HydrophobicContact CD1-CE2 3.73Å; C170-Y175 HydrophobicContact CB-CD2 4.33Å; C170-Y175 WeakPolarHBondContact O-CB 3.4Å; C170-Y175 PolarHBondContact O-N 2.97Å; Y175-Y178 HydrophobicContact CD1-CD1 4.49Å; Y175-Y178 HydrophobicContact CD1-CE1 4.45Å; Y175-Y178 WeakPolarHBondContact O-CB 3.31Å; Y175-Y178 PolarHBondContact O-N 2.81Å
176P88.1Confident94.7Very high3 Ų323.9 Ų23.92%0.01912%0.115CC..THydrogen-bonded Turntrans-52.7145.8173.615.2-26.8000112.3Y50 W53 M64 Y178Y50-P176 HydrophobicContact CD1-CG 3.91Å; Y50-P176 HydrophobicContact CD2-CG 4.29Å; Y50-P176 HydrophobicContact CE1-CG 3.98Å; Y50-P176 HydrophobicContact CE2-CG 4.37Å; Y50-P176 HydrophobicContact CG-CG 4.05Å; W53-P176 HydrophobicContact CB-CB 3.71Å; W53-P176 HydrophobicContact CD2-CB 4.05Å; W53-P176 HydrophobicContact CG-CB 3.67Å; M64-P176 HydrophobicContact CE-CB 3.82Å; M64-P176 HydrophobicContact CE-CG 3.85Å; P176-Y178 WeakPolarHBondContact O-CD2 3.46Å; P176-Y178 PolarHBondContact O-N 2.99Å
177K86.9Confident94.4Very high85 Ų8525.5 Ų25.537%0.3712%0.124SC..THydrogen-bonded Turntrans62.7-3.6-179.9-53.9-176.7173.8-172.30116.6S52 W53 L179S52-K177 VanDerWaalsContact CB-CE 3.44Å; S52-K177 WeakPolarHBondContact OG-CE 3.46Å; S52-K177 PolarHBondContact OG-NZ 2.63Å; W53-K177 HydrophobicContact CE3-CG 4.04Å; K177-L179 PolarHBondContact O-N 2.96Å
178Y91.7Very high94Very high34 Ų3427.2 Ų27.213%0.13314%0.135CC..  trans-75.6-8.7-179.1-89.1-126.7000114.2A137 G142 P144 V145 Y175 P176A137-Y178 VanDerWaalsContact CA-OH 3.22Å; A137-Y178 WeakPolarHBondContact CA-OH 3.41Å; A137-Y178 HydrophobicContact CB-CE1 3.51Å; A137-Y178 WeakPolarHBondContact CB-OH 3.43Å; G142-Y178 WeakPolarHBondContact CA-OH 3.49Å; P144-Y178 CarbonylContact C-O 3.58Å; P144-Y178 VanDerWaalsContact CA-O 3.3Å; P144-Y178 WeakPolarHBondContact CA-O 3.38Å; V145-Y178 WeakPolarHBondContact CG2-O 3.31Å; V145-Y178 PolarHBondContact N-O 2.8Å; Y175-Y178 HydrophobicContact CD1-CD1 4.49Å; Y175-Y178 HydrophobicContact CD1-CE1 4.45Å; Y175-Y178 WeakPolarHBondContact O-CB 3.31Å; Y175-Y178 PolarHBondContact O-N 2.81Å; P176-Y178 WeakPolarHBondContact O-CD2 3.46Å; P176-Y178 PolarHBondContact O-N 2.99Å
179L94.6Very high93.3Very high25 Ų2535.7 Ų35.713%0.13117%0.166CC..EExtended strand (participates in β ladder)trans-105.2118.1-178-175.864.6000111.1V147 F171 K177 K181 I182 L209V147-L179 HydrophobicContact CB-CD1 4.48Å; V147-L179 HydrophobicContact CG2-CD1 3.72Å; F171-L179 HydrophobicContact CB-CB 3.83Å; F171-L179 HydrophobicContact CB-CD2 3.86Å; F171-L179 HydrophobicContact CB-CG 4.39Å; F171-L179 HydrophobicContact CD1-CB 3.73Å; F171-L179 HydrophobicContact CD1-CD1 4.33Å; F171-L179 HydrophobicContact CD1-CG 4.49Å; F171-L179 HydrophobicContact CD2-CD1 4.35Å; F171-L179 HydrophobicContact CD2-CD2 4.38Å; F171-L179 HydrophobicContact CE1-CB 4.49Å; F171-L179 HydrophobicContact CE1-CD1 4.49Å; F171-L179 HydrophobicContact CG-CB 3.85Å; F171-L179 HydrophobicContact CG-CD1 4.25Å; F171-L179 HydrophobicContact CG-CD2 4.1Å; F171-L179 HydrophobicContact CG-CG 4.3Å; K177-L179 PolarHBondContact O-N 2.96Å; L179-K181 WeakPolarHBondContact CD1-O 3.45Å; L179-I182 HydrophobicContact CD1-CG1 3.8Å; L179-I182 HydrophobicContact CD2-CD1 4.13Å; L179-I182 HydrophobicContact CD2-CG1 3.95Å; L179-I182 HydrophobicContact CG-CG1 4.43Å; L179-L209 HydrophobicContact CD2-CD1 4.25Å
180S96.1Very high92.4Very high26 Ų2638 Ų3818%0.18218%0.178CC..EExtended strand (participates in β ladder)trans-79.3-60.5166173.70000110.1N105 V145N105-S180 PolarHBondContact ND2-OG 3.04Å; V145-S180 WeakPolarHBondContact O-CB 3.41Å; V145-S180 PolarHBondContact O-N 2.83Å
181K97.3Very high91.8Very high9 Ų939.5 Ų39.54%0.03919%0.185CC..EExtended strand (participates in β ladder)trans-156.2167.6174.671.3-146.563149.70112D101 E103 T146 V147 L179 V183 L209 K211 Y221D101-K181 IonicContact OD2-NZ 3.8Å; D101-K181 PolarHBondContact OD2-NZ 3.33Å; E103-K181 IonicContact OE1-NZ 3.75Å; E103-K181 PolarHBondContact OE1-NZ 2.75Å; E103-K181 IonicContact OE2-NZ 3.41Å; E103-K181 PolarHBondContact OE2-NZ 3.21Å; T146-K181 WeakPolarHBondContact CA-O 3.47Å; T146-K181 HydrophobicContact CG2-CD 4.21Å; T146-K181 HydrophobicContact CG2-CG 3.73Å; V147-K181 PolarHBondContact N-O 2.68Å; L179-K181 WeakPolarHBondContact CD1-O 3.45Å; K181-V183 HydrophobicContact CD-CG2 4.36Å; K181-V183 HydrophobicContact CG-CG2 4.04Å; K181-L209 WeakPolarHBondContact CB-O 3.43Å; K181-K211 HydrophobicContact CB-CG 4.32Å; K181-K211 HydrophobicContact CD-CG 4.5Å; K181-K211 HydrophobicContact CG-CG 4.42Å; K181-Y221 HydrophobicContact CD-CD1 4.41Å
182I97.9Very high91.3Very high12 Ų1243 Ų436%0.06221%0.205CC..EExtended strand (participates in β ladder)trans-113.3111.9168.5-53.2-176.1000108.2V147 F149 L179 I184 L209 L210 K211V147-I182 HydrophobicContact CB-CB 4.45Å; V147-I182 HydrophobicContact CB-CG1 4.16Å; V147-I182 HydrophobicContact CB-CG2 4.2Å; V147-I182 HydrophobicContact CG1-CG2 4.27Å; V147-I182 CarbonylContact O-C 3.59Å; V147-I182 WeakPolarHBondContact O-CA 3.4Å; F149-I182 HydrophobicContact CB-CG2 4.44Å; F149-I182 HydrophobicContact CD2-CG2 3.69Å; F149-I182 HydrophobicContact CE2-CG2 4.47Å; L179-I182 HydrophobicContact CD1-CG1 3.8Å; L179-I182 HydrophobicContact CD2-CD1 4.13Å; L179-I182 HydrophobicContact CD2-CG1 3.95Å; L179-I182 HydrophobicContact CG-CG1 4.43Å; I182-I184 HydrophobicContact CG2-CD1 4.44Å; I182-I184 HydrophobicContact CG2-CG1 3.92Å; I182-L209 PolarHBondContact N-O 2.76Å; I182-L210 HydrophobicContact CB-CD2 3.83Å; I182-L210 HydrophobicContact CD1-CD2 3.83Å; I182-L210 HydrophobicContact CG1-CD2 4.13Å; I182-L210 HydrophobicContact CG2-CD2 4.45Å; I182-K211 PolarHBondContact O-N 2.73Å
183V98.3Very high91Very high0 Ų041.8 Ų41.80%021%0.211CC..EExtended strand (participates in β ladder)trans-89.5122.8173-1780000108.4T146 V147 M148 F149 K181 K211 T213 Y221T146-V183 HydrophobicContact CG2-CG2 3.85Å; V147-V183 PolarHBondContact O-N 2.79Å; M148-V183 HydrophobicContact CE-CB 4.34Å; M148-V183 HydrophobicContact CE-CG1 4.03Å; M148-V183 HydrophobicContact SD-CB 3.59Å; M148-V183 VanDerWaalsContact SD-CB 3.59Å; M148-V183 HydrophobicContact SD-CG1 3.89Å; M148-V183 HydrophobicContact SD-CG2 4.02Å; F149-V183 PolarHBondContact N-O 3.37Å; K181-V183 HydrophobicContact CD-CG2 4.36Å; K181-V183 HydrophobicContact CG-CG2 4.04Å; V183-K211 CarbonylContact C-O 3.49Å; V183-K211 WeakPolarHBondContact CA-O 3.46Å; V183-K211 HydrophobicContact CG2-CB 4.4Å; V183-T213 HydrophobicContact CG1-CG2 3.48Å; V183-T213 VanDerWaalsContact CG1-CG2 3.48Å; V183-Y221 HydrophobicContact CG1-CD2 4.2Å; V183-Y221 HydrophobicContact CG2-CD2 4.4Å; V183-Y221 HydrophobicContact CG2-CG 4.08Å
184I97.2Very high90.6Very high20 Ų2042.2 Ų42.210%0.10322%0.215CC..EExtended strand (participates in β ladder)trans-112.899-174.7-57.4173.5000107.6F149 L151 I182 M187 L210 K211 F212 T213F149-I184 HydrophobicContact CB-CG1 4.28Å; L151-I184 HydrophobicContact CD1-CG2 3.76Å; L151-I184 HydrophobicContact CD2-CG2 4.46Å; I182-I184 HydrophobicContact CG2-CD1 4.44Å; I182-I184 HydrophobicContact CG2-CG1 3.92Å; I184-M187 HydrophobicContact CG2-CB 4.08Å; I184-M187 HydrophobicContact CG2-CG 4.49Å; I184-L210 HydrophobicContact CD1-CB 4.26Å; I184-L210 HydrophobicContact CD1-CD2 4.41Å; I184-K211 PolarHBondContact N-O 2.87Å; I184-F212 HydrophobicContact CB-CD1 3.94Å; I184-F212 HydrophobicContact CB-CE1 4.11Å; I184-F212 HydrophobicContact CD1-CD1 4.11Å; I184-F212 HydrophobicContact CD1-CE1 3.45Å; I184-F212 VanDerWaalsContact CD1-CE1 3.45Å; I184-F212 HydrophobicContact CD1-CE2 4.35Å; I184-F212 HydrophobicContact CD1-CZ 3.58Å; I184-F212 HydrophobicContact CG1-CE1 4.36Å; I184-F212 HydrophobicContact CG2-CD1 3.92Å; I184-F212 HydrophobicContact CG2-CE1 3.94Å; I184-T213 PolarHBondContact O-N 3.29Å
185F97.4Very high90.3Very high6 Ų642.9 Ų42.93%0.02622%0.219CC..EExtended strand (participates in β ladder)trans-88.5133.3-175.4-177.3-91.6000112.1F149 D150 L151 M187 T213 K215 V218 M231F149-F185 PolarHBondContact O-N 3.16Å; D150-F185 WeakPolarHBondContact OD1-CD1 3.46Å; L151-F185 WeakPolarHBondContact CB-O 3.37Å; L151-F185 PolarHBondContact N-O 3.25Å; F185-M187 PolarHBondContact O-N 3.3Å; F185-T213 WeakPolarHBondContact CA-O 3.48Å; F185-T213 HydrophobicContact CB-CG2 4.28Å; F185-T213 HydrophobicContact CD2-CG2 4.11Å; F185-K215 HydrophobicContact CE2-CB 4.46Å; F185-K215 HydrophobicContact CZ-CB 4.26Å; F185-V218 HydrophobicContact CD2-CB 3.89Å; F185-V218 HydrophobicContact CD2-CG1 4.27Å; F185-V218 HydrophobicContact CD2-CG2 3.88Å; F185-V218 HydrophobicContact CE2-CB 4Å; F185-V218 HydrophobicContact CE2-CG1 3.9Å; F185-V218 HydrophobicContact CE2-CG2 4.34Å; F185-M231 HydrophobicContact CB-CE 3.93Å; F185-M231 HydrophobicContact CD1-CE 3.54Å; F185-M231 HydrophobicContact CD1-CG 4.14Å; F185-M231 HydrophobicContact CD1-SD 4.27Å; F185-M231 HydrophobicContact CD2-CE 4.23Å; F185-M231 HydrophobicContact CD2-CG 4.09Å; F185-M231 HydrophobicContact CD2-SD 3.98Å; F185-M231 HydrophobicContact CE1-CE 4.1Å; F185-M231 HydrophobicContact CE1-CG 3.81Å; F185-M231 HydrophobicContact CE2-CB 4Å; F185-M231 HydrophobicContact CE2-CG 3.76Å; F185-M231 HydrophobicContact CE2-SD 4.27Å; F185-M231 HydrophobicContact CG-CE 3.62Å; F185-M231 HydrophobicContact CG-CG 4.27Å; F185-M231 HydrophobicContact CG-SD 4Å; F185-M231 HydrophobicContact CZ-CB 4.05Å; F185-M231 HydrophobicContact CZ-CG 3.63Å
186D93.6Very high90.2Very high85 Ų8549.5 Ų49.546%0.45525%0.247SC..SBendtrans52.945.8172.5-165.432.5000113.8P188 T213D186-P188 WeakPolarHBondContact O-CD 3.43Å; D186-T213 PolarHBondContact N-O 2.59Å
187M91.1Very high90.5Very high45 Ų4553.1 Ų53.122%0.22227%0.266CS..  trans-61.5118.2-180-175.6-169.5169.300111.6L151 I184 F185 W189 M191 F195 F212L151-M187 HydrophobicContact CD2-CB 4.41Å; L151-M187 HydrophobicContact CD2-CG 4.14Å; I184-M187 HydrophobicContact CG2-CB 4.08Å; I184-M187 HydrophobicContact CG2-CG 4.49Å; F185-M187 PolarHBondContact O-N 3.3Å; M187-W189 PolarHBondContact O-N 3.44Å; M187-M191 HydrophobicContact CE-CB 3.7Å; M187-M191 VanDerWaalsContact CE-O 3.28Å; M187-M191 WeakPolarHBondContact CE-O 3.43Å; M187-M191 HydrophobicContact CG-CB 4.45Å; M187-F195 HydrophobicContact CE-CB 3.62Å; M187-F195 HydrophobicContact CE-CG 4.37Å; M187-F212 HydrophobicContact CB-CD1 4.43Å; M187-F212 HydrophobicContact SD-CD1 3.67Å; M187-F212 HydrophobicContact SD-CE1 3.41Å; M187-F212 WeakPolarHBondContact SD-CE1 3.48Å
188P87.1Confident90.8Very high40 Ų4050 Ų5026%0.2625%0.254SS..  trans-64133.2177.3-22.934.6000111.5D186 L190 M191D186-P188 WeakPolarHBondContact O-CD 3.43Å; P188-L190 PolarHBondContact O-N 2.83Å; P188-M191 HydrophobicContact CB-CG 4.45Å; P188-M191 HydrophobicContact CG-SD 4.18Å; P188-M191 WeakPolarHBondContact O-CB 3.46Å; P188-M191 PolarHBondContact O-N 3.46Å
189W80Confident90.8Very high192 Ų19252.8 Ų52.873%0.72727%0.266SS*.G310 helixtrans-53.8-28-177.670.5-87.9000114.3M187 M191 N192M187-W189 PolarHBondContact O-N 3.44Å; W189-M191 VanDerWaalsContact C-N 3.28Å; W189-M191 PolarHBondContact O-N 2.68Å; W189-N192 VanDerWaalsContact O-CB 3.31Å; W189-N192 WeakPolarHBondContact O-CB 3.22Å; W189-N192 PolarHBondContact O-N 3.05Å; W189-N192 PolarHBondContact O-ND2 2.92Å
190L77.7Confident90.7Very high86 Ų8656.8 Ų56.845%0.4529%0.292SS..G310 helixtrans-69.4-25177.6-174.658.3000112.5I156 P188 N192I156-L190 HydrophobicContact CD1-CD2 3.5Å; I156-L190 HydrophobicContact CG1-CD2 3.85Å; P188-L190 PolarHBondContact O-N 2.83Å; L190-N192 PolarHBondContact O-N 2.71Å
191M83.3Confident90.6Very high30 Ų3057.1 Ų57.115%0.14829%0.289CS..G310 helixtrans-75.7-2.3175.7-66.6-175.361.300113.4L151 I159 M187 P188 W189 A193 A194 F195L151-M191 HydrophobicContact CD2-CE 3.65Å; L151-M191 HydrophobicContact CD2-SD 3.75Å; I159-M191 HydrophobicContact CD1-CG 3.78Å; I159-M191 HydrophobicContact CD1-SD 4.38Å; I159-M191 HydrophobicContact CG1-CE 4.12Å; I159-M191 HydrophobicContact CG1-CG 4.22Å; I159-M191 HydrophobicContact CG1-SD 4.2Å; M187-M191 HydrophobicContact CE-CB 3.7Å; M187-M191 VanDerWaalsContact CE-O 3.28Å; M187-M191 WeakPolarHBondContact CE-O 3.43Å; M187-M191 HydrophobicContact CG-CB 4.45Å; P188-M191 HydrophobicContact CB-CG 4.45Å; P188-M191 HydrophobicContact CG-SD 4.18Å; P188-M191 WeakPolarHBondContact O-CB 3.46Å; P188-M191 PolarHBondContact O-N 3.46Å; W189-M191 VanDerWaalsContact C-N 3.28Å; W189-M191 PolarHBondContact O-N 2.68Å; M191-A193 PolarHBondContact O-N 2.95Å; M191-A194 WeakPolarHBondContact O-CB 3.25Å; M191-A194 PolarHBondContact O-N 3.28Å; M191-F195 PolarHBondContact O-N 2.92Å
192N84Confident90.3Very high82 Ų8257.9 Ų57.944%0.43929%0.294SS..Hα-helixtrans-56.2-30.7172.6-83.6-50000113W189 L190 K196W189-N192 VanDerWaalsContact O-CB 3.31Å; W189-N192 WeakPolarHBondContact O-CB 3.22Å; W189-N192 PolarHBondContact O-N 3.05Å; W189-N192 PolarHBondContact O-ND2 2.92Å; L190-N192 PolarHBondContact O-N 2.71Å; N192-K196 WeakPolarHBondContact O-CG 3.38Å; N192-K196 PolarHBondContact O-N 3.13Å
193A86.6Confident89.8Confident64 Ų6459.2 Ų59.253%0.52931%0.311SS..Hα-helixtrans-67.1-45.9173.400000111.9M191 F195 K196 I197M191-A193 PolarHBondContact O-N 2.95Å; A193-F195 VanDerWaalsContact C-N 3.34Å; A193-F195 PolarHBondContact O-N 3.17Å; A193-K196 PolarHBondContact O-N 3.2Å; A193-I197 PolarHBondContact O-N 2.96Å
194A87.3Confident89.4Confident13 Ų1365.1 Ų65.111%0.10735%0.349CS..Hα-helixtrans-61.1-42173.800000111.4I159 M161 M191 K196 I197 V198I159-A194 HydrophobicContact CG2-CB 4.14Å; M161-A194 HydrophobicContact CE-CB 4.33Å; M161-A194 HydrophobicContact SD-CB 3.71Å; M191-A194 WeakPolarHBondContact O-CB 3.25Å; M191-A194 PolarHBondContact O-N 3.28Å; A194-K196 PolarHBondContact O-N 3.34Å; A194-I197 WeakPolarHBondContact O-CA 3.36Å; A194-I197 WeakPolarHBondContact O-CB 3.48Å; A194-I197 PolarHBondContact O-N 2.95Å; A194-V198 PolarHBondContact O-N 2.83Å
195F88.7Confident88.9Confident34 Ų3471.1 Ų71.115%0.14938%0.376CS..Hα-helixtrans-65.6-35.2177.2177.1-129.1000113.5M187 M191 A193 I197 V198 K199 L210 F212M187-F195 HydrophobicContact CE-CB 3.62Å; M187-F195 HydrophobicContact CE-CG 4.37Å; M191-F195 PolarHBondContact O-N 2.92Å; A193-F195 VanDerWaalsContact C-N 3.34Å; A193-F195 PolarHBondContact O-N 3.17Å; F195-I197 PolarHBondContact O-N 3.39Å; F195-V198 HydrophobicContact CD2-CB 4.24Å; F195-V198 HydrophobicContact CD2-CG1 4.36Å; F195-V198 PolarHBondContact O-N 3.2Å; F195-K199 HydrophobicContact CD2-CG 4.13Å; F195-K199 HydrophobicContact CE1-CD 3.83Å; F195-K199 HydrophobicContact CE1-CG 4.28Å; F195-K199 HydrophobicContact CE2-CD 3.94Å; F195-K199 HydrophobicContact CE2-CG 3.5Å; F195-K199 VanDerWaalsContact CE2-CG 3.5Å; F195-K199 HydrophobicContact CZ-CD 3.47Å; F195-K199 VanDerWaalsContact CZ-CD 3.47Å; F195-K199 HydrophobicContact CZ-CG 3.6Å; F195-K199 PolarHBondContact O-N 2.92Å; F195-L210 HydrophobicContact CE2-CD1 3.64Å; F195-L210 HydrophobicContact CZ-CD1 4.35Å; F195-F212 HydrophobicContact CD1-CZ 4.07Å; F195-F212 AromaticContact CD2-CZ 3.82Å; F195-F212 HydrophobicContact CD2-CZ 3.82Å; F195-F212 AromaticContact CE1-CE2 3.92Å; F195-F212 HydrophobicContact CE1-CE2 3.92Å; F195-F212 AromaticContact CE1-CZ 3.7Å; F195-F212 HydrophobicContact CE1-CZ 3.7Å; F195-F212 HydrophobicContact CE2-CE2 4.02Å; F195-F212 AromaticContact CE2-CZ 3.48Å; F195-F212 HydrophobicContact CE2-CZ 3.48Å; F195-F212 VanDerWaalsContact CE2-CZ 3.48Å; F195-F212 HydrophobicContact CG-CZ 4.12Å; F195-F212 AromaticContact CZ-CE2 3.54Å; F195-F212 HydrophobicContact CZ-CE2 3.54Å; F195-F212 AromaticContact CZ-CZ 3.39Å; F195-F212 HydrophobicContact CZ-CZ 3.39Å
196K90.4Very high88.5Confident148 Ų14872.5 Ų72.564%0.64339%0.389SS*.Hα-helixtrans-57.9-36.4170.5-77176.7-179.1-175.90111.9N192 A193 A194N192-K196 WeakPolarHBondContact O-CG 3.38Å; N192-K196 PolarHBondContact O-N 3.13Å; A193-K196 PolarHBondContact O-N 3.2Å; A194-K196 PolarHBondContact O-N 3.34Å
197I92.9Very high88.5Confident80 Ų8070.5 Ų70.541%0.4138%0.38SS..Hα-helixtrans-72.1-45.1174.8-57.6168.2000110.7M161 A193 A194 F195 K199 T200 W201M161-I197 HydrophobicContact CE-CB 3.91Å; M161-I197 HydrophobicContact CE-CG2 3.88Å; A193-I197 PolarHBondContact O-N 2.96Å; A194-I197 WeakPolarHBondContact O-CA 3.36Å; A194-I197 WeakPolarHBondContact O-CB 3.48Å; A194-I197 PolarHBondContact O-N 2.95Å; F195-I197 PolarHBondContact O-N 3.39Å; I197-K199 PolarHBondContact O-N 3.05Å; I197-T200 PolarHBondContact O-N 3.24Å; I197-T200 PolarHBondContact O-OG1 3.25Å; I197-W201 HydrophobicContact CG2-CH2 4.35Å; I197-W201 HydrophobicContact CG2-CZ2 3.49Å; I197-W201 VanDerWaalsContact CG2-CZ2 3.49Å
198V92.9Very high88.7Confident18 Ų1871.5 Ų71.511%0.10939%0.391CS..Hα-helixtrans-54.5-40.5176.1167.80000111.7M161 V164 I168 A194 F195 T200 W201 L202M161-V198 HydrophobicContact CE-CG2 4Å; V164-V198 HydrophobicContact CG1-CG2 3.77Å; I168-V198 HydrophobicContact CD1-CG1 3.84Å; A194-V198 PolarHBondContact O-N 2.83Å; F195-V198 HydrophobicContact CD2-CB 4.24Å; F195-V198 HydrophobicContact CD2-CG1 4.36Å; F195-V198 PolarHBondContact O-N 3.2Å; V198-T200 PolarHBondContact O-N 2.87Å; V198-W201 HydrophobicContact CG2-CE3 4.32Å; V198-W201 HydrophobicContact CG2-CZ3 4.07Å; V198-W201 PolarHBondContact O-N 3.26Å; V198-L202 HydrophobicContact CG1-CD1 3.76Å; V198-L202 HydrophobicContact CG1-CG 4.45Å
199K92Very high89.1Confident93 Ų9371.9 Ų71.940%0.40439%0.391SS..THydrogen-bonded Turntrans-63.6-18.1176.3-75.8-168.3-71.5-176.10114.9F195 I197 W201 V207F195-K199 HydrophobicContact CD2-CG 4.13Å; F195-K199 HydrophobicContact CE1-CD 3.83Å; F195-K199 HydrophobicContact CE1-CG 4.28Å; F195-K199 HydrophobicContact CE2-CD 3.94Å; F195-K199 HydrophobicContact CE2-CG 3.5Å; F195-K199 VanDerWaalsContact CE2-CG 3.5Å; F195-K199 HydrophobicContact CZ-CD 3.47Å; F195-K199 VanDerWaalsContact CZ-CD 3.47Å; F195-K199 HydrophobicContact CZ-CG 3.6Å; F195-K199 PolarHBondContact O-N 2.92Å; I197-K199 PolarHBondContact O-N 3.05Å; K199-W201 VanDerWaalsContact C-N 3.31Å; K199-V207 HydrophobicContact CD-CG1 4.31Å; K199-V207 HydrophobicContact CG-CG1 4.47Å; K199-V207 HydrophobicContact CG-CG2 4.18Å
200T93.5Very high89.8Confident109 Ų10963.8 Ų63.867%0.66936%0.362SS*.THydrogen-bonded Turntrans-82.8-9.9173.9730000112.9I197 V198I197-T200 PolarHBondContact O-N 3.24Å; I197-T200 PolarHBondContact O-OG1 3.25Å; V198-T200 PolarHBondContact O-N 2.87Å
201W92.9Very high90.8Very high33 Ų3362.9 Ų62.913%0.12535%0.354CS..THydrogen-bonded Turntrans-97.1-14.2177.8-49-20.2000113M161 V164 R165 I168 K172 I197 V198 K199M161-W201 HydrophobicContact CB-CH2 4.03Å; M161-W201 HydrophobicContact CE-CH2 3.38Å; M161-W201 HydrophobicContact CE-CZ2 3.92Å; M161-W201 HydrophobicContact CE-CZ3 4.05Å; M161-W201 VanDerWaalsContact O-CH2 3.25Å; M161-W201 WeakPolarHBondContact O-CH2 3.3Å; V164-W201 HydrophobicContact CB-CZ3 4.47Å; V164-W201 HydrophobicContact CG1-CZ3 4.18Å; R165-W201 HydrophobicContact CB-CE3 4.11Å; R165-W201 HydrophobicContact CB-CH2 3.97Å; R165-W201 HydrophobicContact CB-CZ3 3.68Å; R165-W201 HydrophobicContact CG-CE3 4.42Å; R165-W201 HydrophobicContact CG-CZ3 4.44Å; I168-W201 HydrophobicContact CD1-CE3 3.75Å; I168-W201 HydrophobicContact CD1-CZ3 4.25Å; K172-W201 PolarHBondContact NZ-O 3.37Å; I197-W201 HydrophobicContact CG2-CH2 4.35Å; I197-W201 HydrophobicContact CG2-CZ2 3.49Å; I197-W201 VanDerWaalsContact CG2-CZ2 3.49Å; V198-W201 HydrophobicContact CG2-CE3 4.32Å; V198-W201 HydrophobicContact CG2-CZ3 4.07Å; V198-W201 PolarHBondContact O-N 3.26Å; K199-W201 VanDerWaalsContact C-N 3.31Å
202L91.3Very high91.4Very high26 Ų2665.2 Ų65.214%0.13636%0.363CS..SBendtrans-112.5136.6-173.9-61.4177.8000110.5I168 V198 A206 V207 L210I168-L202 HydrophobicContact CD1-CD2 4.3Å; I168-L202 HydrophobicContact CD1-CG 4.5Å; I168-L202 HydrophobicContact CG1-CD2 4.25Å; I168-L202 HydrophobicContact CG2-CD2 3.55Å; V198-L202 HydrophobicContact CG1-CD1 3.76Å; V198-L202 HydrophobicContact CG1-CG 4.45Å; L202-A206 HydrophobicContact CB-CB 4.18Å; L202-A206 HydrophobicContact CD2-CB 4.06Å; L202-V207 HydrophobicContact CB-CG2 3.68Å; L202-V207 HydrophobicContact CD1-CG2 4.32Å; L202-L210 HydrophobicContact CD1-CD1 3.74Å; L202-L210 HydrophobicContact CD1-CG 4.4Å
203G87.9Confident92Very high40 Ų4061.8 Ų61.841%0.41235%0.345SS..  trans-73.2165.8167.300000111.7E205 A206 V207G203-E205 VanDerWaalsContact C-N 3.26Å; G203-E205 PolarHBondContact O-N 3.1Å; G203-A206 PolarHBondContact O-N 2.82Å; G203-A206 VanDerWaalsContact O-N 3.07Å; G203-V207 WeakPolarHBondContact O-CG2 3.37Å; G203-V207 PolarHBondContact O-N 3.33Å
204P88.8Confident92.4Very high123 Ų12360.4 Ų60.480%0.79933%0.332SS*.Hα-helixtrans-53.7-40.6-178.1-27.135.3000113.9V207 S208P204-V207 PolarHBondContact O-N 2.94Å; P204-S208 PolarHBondContact O-N 3.13Å; P204-S208 VanDerWaalsContact O-N 3.1Å
205E87.4Confident92.7Very high146 Ų14664.6 Ų64.668%0.68235%0.348SS*.Hα-helixtrans-59-52174.8-177.3-179.9-165.300111.9G203 V207 S208G203-E205 VanDerWaalsContact C-N 3.26Å; G203-E205 PolarHBondContact O-N 3.1Å; E205-V207 VanDerWaalsContact C-N 3.3Å; E205-V207 PolarHBondContact O-N 3.2Å; E205-S208 WeakPolarHBondContact O-CA 3.16Å; E205-S208 VanDerWaalsContact O-CB 3.3Å; E205-S208 WeakPolarHBondContact O-CB 3.21Å; E205-S208 PolarHBondContact O-N 3.43Å; E205-S208 PolarHBondContact O-OG 3.09Å
206A89.7Confident92.9Very high36 Ų3670.1 Ų70.130%0.29838%0.379SS..Hα-helixtrans-66.2-29.5178.500000113.1L202 G203 S208 L209L202-A206 HydrophobicContact CB-CB 4.18Å; L202-A206 HydrophobicContact CD2-CB 4.06Å; G203-A206 PolarHBondContact O-N 2.82Å; G203-A206 VanDerWaalsContact O-N 3.07Å; A206-S208 VanDerWaalsContact C-N 3.29Å; A206-L209 PolarHBondContact O-N 3.46Å
207V93.4Very high93.2Very high42 Ų4267.7 Ų67.726%0.25537%0.37SS..Hα-helixtrans-65.5-33.6170.6173.80000111.2K199 L202 G203 P204 E205 L209 L210K199-V207 HydrophobicContact CD-CG1 4.31Å; K199-V207 HydrophobicContact CG-CG1 4.47Å; K199-V207 HydrophobicContact CG-CG2 4.18Å; L202-V207 HydrophobicContact CB-CG2 3.68Å; L202-V207 HydrophobicContact CD1-CG2 4.32Å; G203-V207 WeakPolarHBondContact O-CG2 3.37Å; G203-V207 PolarHBondContact O-N 3.33Å; P204-V207 PolarHBondContact O-N 2.94Å; E205-V207 VanDerWaalsContact C-N 3.3Å; E205-V207 PolarHBondContact O-N 3.2Å; V207-L209 PolarHBondContact O-N 2.97Å; V207-L210 WeakPolarHBondContact O-CB 3.4Å; V207-L210 PolarHBondContact O-N 3.36Å; V207-L210 VanDerWaalsContact O-N 3.14Å
208S94.4Very high93.4Very high66 Ų6663.9 Ų63.946%0.46235%0.35SS..Hα-helixtrans-67.2-21.9177.984.40000113.8P204 E205 A206 L210 K211P204-S208 PolarHBondContact O-N 3.13Å; P204-S208 VanDerWaalsContact O-N 3.1Å; E205-S208 WeakPolarHBondContact O-CA 3.16Å; E205-S208 VanDerWaalsContact O-CB 3.3Å; E205-S208 WeakPolarHBondContact O-CB 3.21Å; E205-S208 PolarHBondContact O-N 3.43Å; E205-S208 PolarHBondContact O-OG 3.09Å; A206-S208 VanDerWaalsContact C-N 3.29Å; S208-L210 PolarHBondContact O-N 3.18Å; S208-K211 WeakPolarHBondContact O-CE 3Å; S208-K211 PolarHBondContact O-NZ 3.29Å
209L95.3Very high93.5Very high49 Ų4966.6 Ų66.626%0.25736%0.362SS..THydrogen-bonded Turntrans-75.1-11.5174.8-55.4-177.1000113.1L179 K181 I182 A206 V207L179-L209 HydrophobicContact CD2-CD1 4.25Å; K181-L209 WeakPolarHBondContact CB-O 3.43Å; I182-L209 PolarHBondContact N-O 2.76Å; A206-L209 PolarHBondContact O-N 3.46Å; V207-L209 PolarHBondContact O-N 2.97Å
210L96.4Very high93.8Very high21 Ų2167.3 Ų67.311%0.1137%0.37CS..EExtended strand (participates in β ladder)trans-85.5116.3177.7-52.6-176.5000110.4I182 I184 F195 L202 V207 S208 F212I182-L210 HydrophobicContact CB-CD2 3.83Å; I182-L210 HydrophobicContact CD1-CD2 3.83Å; I182-L210 HydrophobicContact CG1-CD2 4.13Å; I182-L210 HydrophobicContact CG2-CD2 4.45Å; I184-L210 HydrophobicContact CD1-CB 4.26Å; I184-L210 HydrophobicContact CD1-CD2 4.41Å; F195-L210 HydrophobicContact CE2-CD1 3.64Å; F195-L210 HydrophobicContact CZ-CD1 4.35Å; L202-L210 HydrophobicContact CD1-CD1 3.74Å; L202-L210 HydrophobicContact CD1-CG 4.4Å; V207-L210 WeakPolarHBondContact O-CB 3.4Å; V207-L210 PolarHBondContact O-N 3.36Å; V207-L210 VanDerWaalsContact O-N 3.14Å; S208-L210 PolarHBondContact O-N 3.18Å; L210-F212 HydrophobicContact CB-CE2 3.92Å; L210-F212 HydrophobicContact CB-CZ 4.34Å; L210-F212 HydrophobicContact CD1-CZ 4.49Å
211K97.2Very high94Very high67 Ų6765 Ų6529%0.29135%0.35SS..EExtended strand (participates in β ladder)trans-11196.6-178.1-53.4-53-176-168.40109.8K181 I182 V183 I184 S208 Y221K181-K211 HydrophobicContact CB-CG 4.32Å; K181-K211 HydrophobicContact CD-CG 4.5Å; K181-K211 HydrophobicContact CG-CG 4.42Å; I182-K211 PolarHBondContact O-N 2.73Å; V183-K211 CarbonylContact C-O 3.49Å; V183-K211 WeakPolarHBondContact CA-O 3.46Å; V183-K211 HydrophobicContact CG2-CB 4.4Å; I184-K211 PolarHBondContact N-O 2.87Å; S208-K211 WeakPolarHBondContact O-CE 3Å; S208-K211 PolarHBondContact O-NZ 3.29Å; K211-Y221 HydrophobicContact CB-CD1 4.47Å; K211-Y221 HydrophobicContact CB-CE1 3.9Å; K211-Y221 HydrophobicContact CB-CE2 4Å; K211-Y221 HydrophobicContact CD-CE1 4.07Å; K211-Y221 HydrophobicContact CG-CD1 4.32Å; K211-Y221 HydrophobicContact CG-CE1 3.73Å
212F95.8Very high94.2Very high79 Ų7963.4 Ų63.435%0.34634%0.344SS..EExtended strand (participates in β ladder)trans-74.4135.2174.6-62.6-85.4000109.9I184 M187 F195 L210I184-F212 HydrophobicContact CB-CD1 3.94Å; I184-F212 HydrophobicContact CB-CE1 4.11Å; I184-F212 HydrophobicContact CD1-CD1 4.11Å; I184-F212 HydrophobicContact CD1-CE1 3.45Å; I184-F212 VanDerWaalsContact CD1-CE1 3.45Å; I184-F212 HydrophobicContact CD1-CE2 4.35Å; I184-F212 HydrophobicContact CD1-CZ 3.58Å; I184-F212 HydrophobicContact CG1-CE1 4.36Å; I184-F212 HydrophobicContact CG2-CD1 3.92Å; I184-F212 HydrophobicContact CG2-CE1 3.94Å; M187-F212 HydrophobicContact CB-CD1 4.43Å; M187-F212 HydrophobicContact SD-CD1 3.67Å; M187-F212 HydrophobicContact SD-CE1 3.41Å; M187-F212 WeakPolarHBondContact SD-CE1 3.48Å; F195-F212 HydrophobicContact CD1-CZ 4.07Å; F195-F212 AromaticContact CD2-CZ 3.82Å; F195-F212 HydrophobicContact CD2-CZ 3.82Å; F195-F212 AromaticContact CE1-CE2 3.92Å; F195-F212 HydrophobicContact CE1-CE2 3.92Å; F195-F212 AromaticContact CE1-CZ 3.7Å; F195-F212 HydrophobicContact CE1-CZ 3.7Å; F195-F212 HydrophobicContact CE2-CE2 4.02Å; F195-F212 AromaticContact CE2-CZ 3.48Å; F195-F212 HydrophobicContact CE2-CZ 3.48Å; F195-F212 VanDerWaalsContact CE2-CZ 3.48Å; F195-F212 HydrophobicContact CG-CZ 4.12Å; F195-F212 AromaticContact CZ-CE2 3.54Å; F195-F212 HydrophobicContact CZ-CE2 3.54Å; F195-F212 AromaticContact CZ-CZ 3.39Å; F195-F212 HydrophobicContact CZ-CZ 3.39Å; L210-F212 HydrophobicContact CB-CE2 3.92Å; L210-F212 HydrophobicContact CB-CZ 4.34Å; L210-F212 HydrophobicContact CD1-CZ 4.49Å
213T96.9Very high94.4Very high10 Ų1063.8 Ų63.86%0.06135%0.349CS..EExtended strand (participates in β ladder)trans-152.7152.7-172.6-166.40000113V183 I184 F185 D186 E217 V218V183-T213 HydrophobicContact CG1-CG2 3.48Å; V183-T213 VanDerWaalsContact CG1-CG2 3.48Å; I184-T213 PolarHBondContact O-N 3.29Å; F185-T213 WeakPolarHBondContact CA-O 3.48Å; F185-T213 HydrophobicContact CB-CG2 4.28Å; F185-T213 HydrophobicContact CD2-CG2 4.11Å; D186-T213 PolarHBondContact N-O 2.59Å; T213-E217 VanDerWaalsContact OG1-CB 3.32Å; T213-E217 WeakPolarHBondContact OG1-CB 3.49Å; T213-E217 PolarHBondContact OG1-O 2.82Å; T213-V218 HydrophobicContact CG2-CB 3.99Å; T213-V218 HydrophobicContact CG2-CG2 4.09Å; T213-V218 WeakPolarHBondContact OG1-CA 3.43Å; T213-V218 PolarHBondContact OG1-N 2.79Å
214S95.2Very high94.7Very high36 Ų3664.5 Ų64.525%0.25235%0.345SS..  trans-113.2177.8173.1710000111.6N216 E217 V218S214-N216 PolarHBondContact O-N 3.05Å; S214-N216 PolarHBondContact OG-N 3.35Å; S214-E217 VanDerWaalsContact CB-OE2 3.28Å; S214-E217 WeakPolarHBondContact CB-OE2 3.47Å; S214-E217 PolarHBondContact N-OE2 3.28Å; S214-E217 PolarHBondContact O-N 2.87Å; S214-E217 PolarHBondContact OG-OE2 2.98Å; S214-V218 WeakPolarHBondContact O-CB 3.47Å; S214-V218 PolarHBondContact O-N 3.44Å
215K93.9Very high95Very high101 Ų10161.7 Ų61.744%0.43932%0.321SS..THydrogen-bonded Turntrans-52.9-26.6174.6-174.3167.2-174.8146.30114.3F185 P229 H230F185-K215 HydrophobicContact CE2-CB 4.46Å; F185-K215 HydrophobicContact CZ-CB 4.26Å; K215-P229 PolarHBondContact NZ-O 3.21Å; K215-H230 WeakPolarHBondContact CD-O 3.3Å; K215-H230 WeakPolarHBondContact CE-O 3.5Å; K215-H230 PolarHBondContact NZ-O 2.93Å
216N91.9Very high95.2Very high149 Ų14955.4 Ų55.480%0.79729%0.291SS*.THydrogen-bonded Turntrans-86.7-18.4-178.6-60.7-21.2000113.2S214S214-N216 PolarHBondContact O-N 3.05Å; S214-N216 PolarHBondContact OG-N 3.35Å
217E96.6Very high95.5Very high97 Ų9753.7 Ų53.745%0.45328%0.277SS..THydrogen-bonded Turntrans-118.5-16.7-168.4-62.3153.4147.500112T213 S214 Q219 D220T213-E217 VanDerWaalsContact OG1-CB 3.32Å; T213-E217 WeakPolarHBondContact OG1-CB 3.49Å; T213-E217 PolarHBondContact OG1-O 2.82Å; S214-E217 VanDerWaalsContact CB-OE2 3.28Å; S214-E217 WeakPolarHBondContact CB-OE2 3.47Å; S214-E217 PolarHBondContact N-OE2 3.28Å; S214-E217 PolarHBondContact O-N 2.87Å; S214-E217 PolarHBondContact OG-OE2 2.98Å; E217-Q219 PolarHBondContact O-N 3.14Å; E217-Q219 VanDerWaalsContact O-N 3.14Å; E217-D220 VanDerWaalsContact O-CB 3.28Å; E217-D220 WeakPolarHBondContact O-CB 3.48Å; E217-D220 PolarHBondContact O-N 3.36Å
218V97.5Very high95.6Very high0 Ų052.5 Ų52.50%027%0.27CS..G310 helixtrans-62.7-26.3-176.263.60000112M148 F185 T213 S214 D220 Y221 V222 L227 M231M148-V218 HydrophobicContact CE-CG2 4.2Å; F185-V218 HydrophobicContact CD2-CB 3.89Å; F185-V218 HydrophobicContact CD2-CG1 4.27Å; F185-V218 HydrophobicContact CD2-CG2 3.88Å; F185-V218 HydrophobicContact CE2-CB 4Å; F185-V218 HydrophobicContact CE2-CG1 3.9Å; F185-V218 HydrophobicContact CE2-CG2 4.34Å; T213-V218 HydrophobicContact CG2-CB 3.99Å; T213-V218 HydrophobicContact CG2-CG2 4.09Å; T213-V218 WeakPolarHBondContact OG1-CA 3.43Å; T213-V218 PolarHBondContact OG1-N 2.79Å; S214-V218 WeakPolarHBondContact O-CB 3.47Å; S214-V218 PolarHBondContact O-N 3.44Å; V218-D220 PolarHBondContact O-N 3.1Å; V218-Y221 PolarHBondContact O-N 2.98Å; V218-Y221 VanDerWaalsContact O-N 3.14Å; V218-V222 PolarHBondContact O-N 2.63Å; V218-L227 HydrophobicContact CG1-CD1 3.89Å; V218-L227 HydrophobicContact CG2-CD1 4.18Å; V218-L227 HydrophobicContact CG2-CD2 3.83Å; V218-M231 HydrophobicContact CG1-CB 4.33Å; V218-M231 WeakPolarHBondContact CG1-O 3.47Å; V218-M231 HydrophobicContact CG2-SD 4.48Å
219Q96.4Very high95.6Very high76 Ų7653.3 Ų53.336%0.35527%0.274SS..G310 helixtrans-68-10.8174.4-62.7-17426.600113.6K102 E217 Y221 V222 V224 L227 G232K102-Q219 WeakPolarHBondContact CE-O 3.43Å; K102-Q219 PolarHBondContact NZ-O 3.32Å; E217-Q219 PolarHBondContact O-N 3.14Å; E217-Q219 VanDerWaalsContact O-N 3.14Å; Q219-Y221 VanDerWaalsContact C-N 3.27Å; Q219-V222 WeakPolarHBondContact CA-O 3.23Å; Q219-V224 HydrophobicContact CG-CG1 4.01Å; Q219-L227 HydrophobicContact CG-CD1 3.99Å; Q219-G232 PolarHBondContact NE2-O 3.21Å
220D96.9Very high95.5Very high108 Ų10853.7 Ų53.758%0.57827%0.274SS*.G310 helixtrans-69.6-29.2171-66.8-24.9000111.3E217 V218E217-D220 VanDerWaalsContact O-CB 3.28Å; E217-D220 WeakPolarHBondContact O-CB 3.48Å; E217-D220 PolarHBondContact O-N 3.36Å; V218-D220 PolarHBondContact O-N 3.1Å
221Y97.7Very high95.5Very high60 Ų6052.7 Ų52.724%0.23527%0.269CS..THydrogen-bonded Turntrans-101.8-36.2-176.2-54-69000113.5D101 K102 K181 V183 K211 V218 Q219D101-Y221 WeakPolarHBondContact CB-O 3.39Å; K102-Y221 PolarHBondContact N-O 3.31Å; K181-Y221 HydrophobicContact CD-CD1 4.41Å; V183-Y221 HydrophobicContact CG1-CD2 4.2Å; V183-Y221 HydrophobicContact CG2-CD2 4.4Å; V183-Y221 HydrophobicContact CG2-CG 4.08Å; K211-Y221 HydrophobicContact CB-CD1 4.47Å; K211-Y221 HydrophobicContact CB-CE1 3.9Å; K211-Y221 HydrophobicContact CB-CE2 4Å; K211-Y221 HydrophobicContact CD-CE1 4.07Å; K211-Y221 HydrophobicContact CG-CD1 4.32Å; K211-Y221 HydrophobicContact CG-CE1 3.73Å; V218-Y221 PolarHBondContact O-N 2.98Å; V218-Y221 VanDerWaalsContact O-N 3.14Å; Q219-Y221 VanDerWaalsContact C-N 3.27Å
222V97.3Very high95.3Very high0 Ų050.8 Ų50.80%027%0.268CS..SBendtrans-131133.6-173.1-173.30000110.3D101 L107 M148 V218 Q219 L227D101-V222 HydrophobicContact CB-CG2 4.36Å; L107-V222 HydrophobicContact CD1-CG1 3.71Å; L107-V222 HydrophobicContact CD1-CG2 4.28Å; L107-V222 HydrophobicContact CD2-CG2 3.92Å; M148-V222 HydrophobicContact CE-CG2 4.42Å; M148-V222 HydrophobicContact SD-CG2 3.87Å; V218-V222 PolarHBondContact O-N 2.63Å; Q219-V222 WeakPolarHBondContact CA-O 3.23Å; V222-L227 HydrophobicContact CB-CD1 4.16Å; V222-L227 HydrophobicContact CB-CD2 3.88Å; V222-L227 HydrophobicContact CB-CG 3.85Å; V222-L227 HydrophobicContact CG1-CD1 4.48Å; V222-L227 HydrophobicContact CG1-CD2 3.9Å; V222-L227 HydrophobicContact CG1-CG 3.72Å; V222-L227 HydrophobicContact CG2-CD2 4.47Å; V222-L227 WeakPolarHBondContact O-CD1 3.44Å
223S95.3Very high95.3Very high34 Ų3447.5 Ų47.524%0.23826%0.257CS..  trans-64.6149.3175.8-670000112E225 Y226 L227S223-E225 WeakPolarHBondContact CB-OE1 3.4Å; S223-E225 PolarHBondContact O-N 3.35Å; S223-E225 VanDerWaalsContact O-N 3.1Å; S223-Y226 PolarHBondContact O-N 2.93Å; S223-L227 PolarHBondContact O-N 3.34Å
224V95.4Very high95.2Very high55 Ų5551.9 Ų51.933%0.33328%0.284SS..G310 helixtrans-56.1-30.4-178.2-69.20000113.6Q219 Y226 L227 G233 T234Q219-V224 HydrophobicContact CG-CG1 4.01Å; V224-Y226 VanDerWaalsContact C-N 3.28Å; V224-Y226 PolarHBondContact O-N 3.19Å; V224-L227 PolarHBondContact O-N 2.95Å; V224-G233 CarbonylContact O-C 3.56Å; V224-G233 WeakPolarHBondContact O-CA 3.39Å; V224-T234 PolarHBondContact O-N 2.95Å; V224-T234 PolarHBondContact O-OG1 3.34Å
225E93.6Very high95.1Very high64 Ų6450.9 Ų50.930%0.29928%0.275SS..G310 helixtrans-67.3-20.8178.967.8-147.5171.700114.8S223 D235S223-E225 WeakPolarHBondContact CB-OE1 3.4Å; S223-E225 PolarHBondContact O-N 3.35Å; S223-E225 VanDerWaalsContact O-N 3.1Å; E225-D235 WeakPolarHBondContact O-CB 3.44Å
226Y93.2Very high94.9Very high13 Ų1351.4 Ų51.45%0.05129%0.289CS..G310 helixtrans-110.810.2174.4-50.6-63.2000113Y100 S223 V224 T251 P252 C254Y100-Y226 HydrophobicContact CD2-CE1 4.37Å; Y100-Y226 VanDerWaalsContact O-CD2 3.23Å; Y100-Y226 WeakPolarHBondContact O-CD2 3.43Å; S223-Y226 PolarHBondContact O-N 2.93Å; V224-Y226 VanDerWaalsContact C-N 3.28Å; V224-Y226 PolarHBondContact O-N 3.19Å; Y226-T251 HydrophobicContact CD1-CG2 4.01Å; Y226-T251 HydrophobicContact CE1-CG2 3.86Å; Y226-P252 PolarHBondContact OH-O 3.14Å; Y226-C254 PolarHBondContact OH-N 2.94Å; Y226-C254 PolarHBondContact OH-SG 3Å
227L95.9Very high94.8Very high0 Ų046.6 Ų46.60%026%0.261CS..SBendtrans-106.2133.2177.6-79.5175.8000110.8W109 M148 V218 Q219 V222 S223 V224 M231 G233 T234 D235W109-L227 HydrophobicContact CH2-CD2 4.28Å; M148-L227 HydrophobicContact CE-CD2 4.38Å; V218-L227 HydrophobicContact CG1-CD1 3.89Å; V218-L227 HydrophobicContact CG2-CD1 4.18Å; V218-L227 HydrophobicContact CG2-CD2 3.83Å; Q219-L227 HydrophobicContact CG-CD1 3.99Å; V222-L227 HydrophobicContact CB-CD1 4.16Å; V222-L227 HydrophobicContact CB-CD2 3.88Å; V222-L227 HydrophobicContact CB-CG 3.85Å; V222-L227 HydrophobicContact CG1-CD1 4.48Å; V222-L227 HydrophobicContact CG1-CD2 3.9Å; V222-L227 HydrophobicContact CG1-CG 3.72Å; V222-L227 HydrophobicContact CG2-CD2 4.47Å; V222-L227 WeakPolarHBondContact O-CD1 3.44Å; S223-L227 PolarHBondContact O-N 3.34Å; V224-L227 PolarHBondContact O-N 2.95Å; L227-M231 HydrophobicContact CD2-CB 4.2Å; L227-M231 HydrophobicContact CD2-SD 3.94Å; L227-G233 CarbonylContact O-C 3.58Å; L227-G233 VanDerWaalsContact O-C 3.23Å; L227-G233 WeakPolarHBondContact O-CA 3.48Å; L227-T234 PolarHBondContact O-N 2.94Å; L227-D235 VanDerWaalsContact O-CB 3.22Å; L227-D235 WeakPolarHBondContact O-CB 3.27Å; L227-D235 PolarHBondContact O-N 2.85Å
228P94.7Very high94.4Very high17 Ų1750.4 Ų50.411%0.1128%0.276CS..  trans-69.8158.3176.928.8-35.2000111.7W109 H230 M231 G232 G233W109-P228 HydrophobicContact CH2-CG 4.17Å; P228-H230 VanDerWaalsContact C-N 3.27Å; P228-H230 WeakPolarHBondContact CG-CE1 3.42Å; P228-H230 PolarHBondContact O-N 3.06Å; P228-H230 VanDerWaalsContact O-N 3.13Å; P228-M231 HydrophobicContact CG-CB 4.28Å; P228-M231 HydrophobicContact CG-CG 3.93Å; P228-M231 HydrophobicContact CG-SD 4.05Å; P228-M231 WeakPolarHBondContact O-CA 2.95Å; P228-M231 WeakPolarHBondContact O-CB 3.05Å; P228-M231 PolarHBondContact O-N 3.23Å; P228-G232 PolarHBondContact O-N 3.07Å; P228-G233 PolarHBondContact O-N 3.22Å
229P94.3Very high94Very high84 Ų8452.8 Ų52.855%0.54529%0.286SS..G310 helixtrans-62.4-26.7-172.2-27.136.9000115.1K215 M231 G232 D235K215-P229 PolarHBondContact NZ-O 3.21Å; P229-M231 VanDerWaalsContact C-N 3.29Å; P229-M231 PolarHBondContact O-N 3.08Å; P229-G232 PolarHBondContact O-N 3.45Å; P229-G232 VanDerWaalsContact O-N 3.09Å; P229-D235 WeakPolarHBondContact CD-O 3.35Å
230H93.6Very high93.6Very high57 Ų5751.6 Ų51.626%0.26429%0.285SS..G310 helixtrans-66.3-34.7175.573.6-71.2000111.5R111 D150 S152 K215 P228 G232R111-H230 PolarHBondContact NH2-CE1 3.39Å; R111-H230 VanDerWaalsContact NH2-CE1 3.3Å; R111-H230 PolarHBondContact NH2-NE2 3.11Å; D150-H230 IonicContact OD1-NE2 2.77Å; D150-H230 IonicContact OD2-CE1 2.76Å; D150-H230 IonicContact OD2-NE2 2.76Å; D150-H230 PolarHBondContact OD2-NE2 3.16Å; S152-H230 PolarHBondContact OG-CD2 2.93Å; S152-H230 VanDerWaalsContact OG-CD2 3.29Å; S152-H230 PolarHBondContact OG-NE2 2.97Å; K215-H230 WeakPolarHBondContact CD-O 3.3Å; K215-H230 WeakPolarHBondContact CE-O 3.5Å; K215-H230 PolarHBondContact NZ-O 2.93Å; P228-H230 VanDerWaalsContact C-N 3.27Å; P228-H230 WeakPolarHBondContact CG-CE1 3.42Å; P228-H230 PolarHBondContact O-N 3.06Å; P228-H230 VanDerWaalsContact O-N 3.13Å; H230-G232 VanDerWaalsContact C-N 3.26Å; H230-G232 PolarHBondContact O-N 3.05Å
231M96.2Very high93.1Very high0 Ų047.9 Ų47.90%026%0.264CS..G310 helixtrans-79.6-1.3172.5-59.5-167.4177.300113.9W109 M148 D150 F185 V218 L227 P228 P229W109-M231 HydrophobicContact CH2-CE 4.35Å; W109-M231 HydrophobicContact CH2-SD 3.9Å; W109-M231 HydrophobicContact CZ3-CE 3.68Å; W109-M231 HydrophobicContact CZ3-SD 3.85Å; M148-M231 HydrophobicContact CE-SD 4.18Å; D150-M231 HydrophobicContact CB-CE 3.63Å; D150-M231 WeakPolarHBondContact OD1-CE 3.33Å; D150-M231 WeakPolarHBondContact OD2-CE 3.4Å; F185-M231 HydrophobicContact CB-CE 3.93Å; F185-M231 HydrophobicContact CD1-CE 3.54Å; F185-M231 HydrophobicContact CD1-CG 4.14Å; F185-M231 HydrophobicContact CD1-SD 4.27Å; F185-M231 HydrophobicContact CD2-CE 4.23Å; F185-M231 HydrophobicContact CD2-CG 4.09Å; F185-M231 HydrophobicContact CD2-SD 3.98Å; F185-M231 HydrophobicContact CE1-CE 4.1Å; F185-M231 HydrophobicContact CE1-CG 3.81Å; F185-M231 HydrophobicContact CE2-CB 4Å; F185-M231 HydrophobicContact CE2-CG 3.76Å; F185-M231 HydrophobicContact CE2-SD 4.27Å; F185-M231 HydrophobicContact CG-CE 3.62Å; F185-M231 HydrophobicContact CG-CG 4.27Å; F185-M231 HydrophobicContact CG-SD 4Å; F185-M231 HydrophobicContact CZ-CB 4.05Å; F185-M231 HydrophobicContact CZ-CG 3.63Å; V218-M231 HydrophobicContact CG1-CB 4.33Å; V218-M231 WeakPolarHBondContact CG1-O 3.47Å; V218-M231 HydrophobicContact CG2-SD 4.48Å; L227-M231 HydrophobicContact CD2-CB 4.2Å; L227-M231 HydrophobicContact CD2-SD 3.94Å; P228-M231 HydrophobicContact CG-CB 4.28Å; P228-M231 HydrophobicContact CG-CG 3.93Å; P228-M231 HydrophobicContact CG-SD 4.05Å; P228-M231 WeakPolarHBondContact O-CA 2.95Å; P228-M231 WeakPolarHBondContact O-CB 3.05Å; P228-M231 PolarHBondContact O-N 3.23Å; P229-M231 VanDerWaalsContact C-N 3.29Å; P229-M231 PolarHBondContact O-N 3.08Å
232G93.7Very high92.3Very high27 Ų2748.8 Ų48.828%0.27828%0.277SS..THydrogen-bonded Turntrans85.714.9178.400000115Q219 P228 P229 H230Q219-G232 PolarHBondContact NE2-O 3.21Å; P228-G232 PolarHBondContact O-N 3.07Å; P229-G232 PolarHBondContact O-N 3.45Å; P229-G232 VanDerWaalsContact O-N 3.09Å; H230-G232 VanDerWaalsContact C-N 3.26Å; H230-G232 PolarHBondContact O-N 3.05Å
233G95.4Very high91.1Very high10 Ų1050.6 Ų50.610%0.10329%0.289CS..  trans-92.3-169.5168.400000113.7V224 L227 P228V224-G233 CarbonylContact O-C 3.56Å; V224-G233 WeakPolarHBondContact O-CA 3.39Å; L227-G233 CarbonylContact O-C 3.58Å; L227-G233 VanDerWaalsContact O-C 3.23Å; L227-G233 WeakPolarHBondContact O-CA 3.48Å; P228-G233 PolarHBondContact O-N 3.22Å
234T94.9Very high89.1Confident102 Ų10254.1 Ų54.163%0.62630%0.304SS*.  trans-1191.2-173.955.50000113.4V224 L227 P236V224-T234 PolarHBondContact O-N 2.95Å; V224-T234 PolarHBondContact O-OG1 3.34Å; L227-T234 PolarHBondContact O-N 2.94Å; T234-P236 WeakPolarHBondContact O-CD 3.4Å
235D92.9Very high86.9Confident14 Ų1458.4 Ų58.48%0.07533%0.33CS..  trans-65.1117.9-176.5-168.2-15.9000111.3H98 E225 L227 P229 F237H98-D235 IonicContact CD2-OD2 2.73Å; H98-D235 PolarHBondContact CD2-OD2 3.19Å; H98-D235 VanDerWaalsContact CD2-OD2 3.23Å; H98-D235 IonicContact CE1-OD2 3.29Å; H98-D235 IonicContact NE2-OD1 3.43Å; H98-D235 PolarHBondContact NE2-OD1 3.28Å; H98-D235 IonicContact NE2-OD2 3.52Å; H98-D235 PolarHBondContact NE2-OD2 3.41Å; E225-D235 WeakPolarHBondContact O-CB 3.44Å; L227-D235 VanDerWaalsContact O-CB 3.22Å; L227-D235 WeakPolarHBondContact O-CB 3.27Å; L227-D235 PolarHBondContact O-N 2.85Å; P229-D235 WeakPolarHBondContact CD-O 3.35Å; D235-F237 PolarHBondContact O-N 3.25Å; D235-F237 WeakPolarHBondContact OD1-CB 3.43Å; D235-F237 PolarHBondContact OD1-N 3.49Å
236P88.9Confident84.7Confident113 Ų11360.5 Ų60.573%0.73434%0.343SS*.  trans-79.4-3.9178.634.6-36.3000113.3T234 K238T234-P236 WeakPolarHBondContact O-CD 3.4Å; P236-K238 PolarHBondContact O-N 3.24Å
237F90.2Very high82.8Confident47 Ų4761.8 Ų61.821%0.20635%0.351CS..  trans-52.5132.2-173.6178.4-99.1000112.9Y96 H98 D235 Y239Y96-F237 AromaticContact CD2-CE1 3.87Å; Y96-F237 HydrophobicContact CD2-CE1 3.87Å; Y96-F237 HydrophobicContact CD2-CZ 4.43Å; Y96-F237 HydrophobicContact CE2-CD1 4.28Å; Y96-F237 AromaticContact CE2-CE1 3.66Å; Y96-F237 HydrophobicContact CE2-CE1 3.66Å; H98-F237 HydrophobicContact CB-CD1 4.25Å; H98-F237 HydrophobicContact CB-CE1 3.99Å; H98-F237 HydrophobicContact CB-CZ 4.18Å; H98-F237 AromaticContact CD2-CD1 3.57Å; H98-F237 AromaticContact CD2-CG 3.53Å; H98-F237 AromaticContact CE1-CD2 3.69Å; H98-F237 AromaticContact CE1-CG 3.76Å; H98-F237 AromaticContact CG-CD1 3.79Å; H98-F237 AromaticContact CG-CD2 3.99Å; H98-F237 AromaticContact CG-CE1 3.98Å; H98-F237 AromaticContact CG-CG 3.8Å; H98-F237 AromaticContact ND1-CD2 3.78Å; H98-F237 VanDerWaalsContact NE2-CB 3.3Å; H98-F237 WeakPolarHBondContact NE2-CB 3.45Å; H98-F237 AromaticContact NE2-CD2 3.93Å; H98-F237 AromaticContact NE2-CG 3.49Å; H98-F237 WeakPolarHBondContact NE2-CG 3.44Å; D235-F237 PolarHBondContact O-N 3.25Å; D235-F237 WeakPolarHBondContact OD1-CB 3.43Å; D235-F237 PolarHBondContact OD1-N 3.49Å; F237-Y239 HydrophobicContact CZ-CD2 4.32Å
238K88.1Confident80.6Confident178 Ų17863.9 Ų63.977%0.77436%0.362SS*.  trans-128.8114.5172.6-69.2178-174.5173.40107.4P236 S240P236-K238 PolarHBondContact O-N 3.24Å; K238-S240 PolarHBondContact O-N 3.46Å
239Y90Very high78.7Confident50 Ų5063.5 Ų63.520%0.19636%0.359CS..  trans-53.6132.8176.4-178.2-90.5000111.3L90 G93 Y96 F237L90-Y239 WeakPolarHBondContact O-CE1 3.45Å; L90-Y239 VanDerWaalsContact O-CZ 3.26Å; L90-Y239 PolarHBondContact O-OH 3.16Å; G93-Y239 VanDerWaalsContact CA-CE1 3.41Å; Y96-Y239 VanDerWaalsContact CB-CD2 3.42Å; Y96-Y239 VanDerWaalsContact CB-CE2 3.42Å; Y96-Y239 AromaticContact CD1-CD2 3.78Å; Y96-Y239 HydrophobicContact CD1-CD2 3.78Å; Y96-Y239 HydrophobicContact CD1-CE2 4.42Å; Y96-Y239 HydrophobicContact CD1-CG 4.11Å; Y96-Y239 HydrophobicContact CD2-CD2 4.29Å; Y96-Y239 AromaticContact CG-CD2 3.59Å; Y96-Y239 HydrophobicContact CG-CD2 3.59Å; Y96-Y239 HydrophobicContact CG-CE2 4.12Å; Y96-Y239 HydrophobicContact CG-CG 4.35Å; F237-Y239 HydrophobicContact CZ-CD2 4.32Å
240S87.6Confident76.7Confident50 Ų5065.6 Ų65.635%0.3536%0.362SS..  trans-143.8157.2172.166.10000109.5K238K238-S240 PolarHBondContact O-N 3.46Å
241Y86.1Confident75Confident30 Ų3064 Ų6412%0.11836%0.356CS..SBendtrans-138.6134.8-179.7-166.2-95000111.4E82 L90 E91E82-Y241 WeakPolarHBondContact CG-OH 3.28Å; E82-Y241 PolarHBondContact OE1-OH 3.25Å; E82-Y241 PolarHBondContact OE2-OH 2.92Å; L90-Y241 HydrophobicContact CB-CD1 3.53Å; L90-Y241 HydrophobicContact CB-CD2 4.09Å; L90-Y241 HydrophobicContact CB-CE1 3.57Å; L90-Y241 HydrophobicContact CB-CE2 4.15Å; L90-Y241 HydrophobicContact CB-CG 3.8Å; L90-Y241 HydrophobicContact CD1-CD1 4.5Å; L90-Y241 HydrophobicContact CD1-CE1 3.7Å; L90-Y241 HydrophobicContact CD2-CE2 4.17Å; L90-Y241 HydrophobicContact CG-CE1 4.13Å; L90-Y241 WeakPolarHBondContact O-CB 3.47Å; E91-Y241 HydrophobicContact CG-CD1 4.48Å
242P81.5Confident72.9Confident79 Ų7968.8 Ų68.851%0.51339%0.387SS..SBendcis-59.5154.4-429-36.9000111.9
243P71.8Confident70.8Confident38 Ų3872.8 Ų72.825%0.24740%0.401CS..PPolyproline II helixtrans-57.5151.6177.925.2-34.1000110.4D247P243-D247 HydrophobicContact CB-CB 3.99Å
244L54.1Low68.3Low108 Ų10874.7 Ų74.757%0.56541%0.413SS*.PPolyproline II helixtrans-61.2158.3171-59.2175.2000109.7D246 D247L244-D246 PolarHBondContact O-N 2.97Å; L244-D247 HydrophobicContact CB-CB 4.09Å; L244-D247 PolarHBondContact O-N 3.32Å
245V48.9Very low65.7Low145 Ų14579.2 Ų79.288%0.87943%0.427SS*.THydrogen-bonded Turntrans-57-27-171.4-174.30000112.6
246D46.4Very low62.9Low108 Ų10885.8 Ų85.858%0.57846%0.462SS*.THydrogen-bonded Turntrans-96.7-23.4177.8-48-52.4000113.2L244 D248 Q250L244-D246 PolarHBondContact O-N 2.97Å; D246-D248 VanDerWaalsContact C-N 3.31Å; D246-D248 PolarHBondContact O-N 3.42Å; D246-Q250 WeakPolarHBondContact O-CB 3.5Å; D246-Q250 WeakPolarHBondContact O-CG 3.32Å; D246-Q250 PolarHBondContact O-N 3.29Å
247D52.8Low60.3Low40 Ų4082.5 Ų82.521%0.21445%0.448CS..THydrogen-bonded Turntrans-69.6-22.1-169.3-98.8-24.3000114.4P243 L244 F249P243-D247 HydrophobicContact CB-CB 3.99Å; L244-D247 HydrophobicContact CB-CB 4.09Å; L244-D247 PolarHBondContact O-N 3.32Å; D247-F249 WeakPolarHBondContact O-CA 3.18Å; D247-F249 PolarHBondContact O-N 2.9Å
248D50.1Low57.4Low44 Ų4485.2 Ų85.224%0.23547%0.471CS..THydrogen-bonded Turntrans-50.5-40.2-161.2-166.346.8000112.2R135 R139 D246R135-D248 IonicContact CZ-OD1 2.7Å; R135-D248 IonicContact CZ-OD2 2.77Å; R135-D248 IonicContact NE-OD1 3.16Å; R135-D248 IonicContact NH2-OD1 3.78Å; R135-D248 PolarHBondContact NH2-OD1 3.2Å; R135-D248 IonicContact NH2-OD2 2.95Å; R135-D248 PolarHBondContact NH2-OD2 2.65Å; R139-D248 IonicContact NH1-OD2 3.84Å; R139-D248 PolarHBondContact NH1-OD2 3.49Å; D246-D248 VanDerWaalsContact C-N 3.31Å; D246-D248 PolarHBondContact O-N 3.42Å
249F54.6Low54.8Low10 Ų1084.5 Ų84.54%0.04447%0.474CS..THydrogen-bonded Turntrans-146.4-2.2158.1-69.3-92.9000114.6L97 K106 R135 Y136 R139 D247 T251L97-F249 HydrophobicContact CD1-CE1 4.34Å; L97-F249 HydrophobicContact CD2-CE1 4.36Å; K106-F249 PolarHBondContact NZ-O 3.43Å; R135-F249 HydrophobicContact CB-CZ 4.38Å; R135-F249 HydrophobicContact CG-CE2 3.95Å; R135-F249 HydrophobicContact CG-CZ 3.8Å; Y136-F249 HydrophobicContact CD2-CD1 4.05Å; Y136-F249 AromaticContact CD2-CE1 3.75Å; Y136-F249 HydrophobicContact CD2-CE1 3.75Å; Y136-F249 HydrophobicContact CG-CE1 4.39Å; R139-F249 VanDerWaalsContact NH1-CD2 3.29Å; D247-F249 WeakPolarHBondContact O-CA 3.18Å; D247-F249 PolarHBondContact O-N 2.9Å; F249-T251 PolarHBondContact O-N 3.14Å
250Q52.5Low51.9Low128 Ų12888.4 Ų88.460%0.59850%0.503SS*.  trans-82.373.8-170.6-45-175.27.300112.8D246 P252D246-Q250 WeakPolarHBondContact O-CB 3.5Å; D246-Q250 WeakPolarHBondContact O-CG 3.32Å; D246-Q250 PolarHBondContact O-N 3.29Å; Q250-P252 WeakPolarHBondContact O-CD 3.39Å
251T58.6Low49.3Very low22 Ų2290.7 Ų90.714%0.13552%0.519CS..  trans-84.2119.8148.8-25.30000105.9H98 G99 Y100 K106 Y226 F249H98-T251 PolarHBondContact ND1-OG1 3.24Å; G99-T251 PolarHBondContact N-OG1 2.93Å; Y100-T251 WeakPolarHBondContact CE2-O 3.2Å; K106-T251 PolarHBondContact NZ-OG1 3.32Å; Y226-T251 HydrophobicContact CD1-CG2 4.01Å; Y226-T251 HydrophobicContact CE1-CG2 3.86Å; F249-T251 PolarHBondContact O-N 3.14Å
252P51.8Low46.9Very low101 Ų10197.6 Ų97.666%0.65655%0.552SS**  trans-62.8141.7173.9-21.933.9000110Y226 Q250 C254Y226-P252 PolarHBondContact OH-O 3.14Å; Q250-P252 WeakPolarHBondContact O-CD 3.39Å; P252-C254 PolarHBondContact O-N 3.4Å
253L50.8Low44.5Very low112 Ų112101.9 Ų101.959%0.58657%0.571SS**  trans-70.9108.3164.8-73.3168.9000107.8Y100 E255Y100-L253 HydrophobicContact CD1-CD2 3.89Å; Y100-L253 HydrophobicContact CD2-CD2 3.58Å; Y100-L253 HydrophobicContact CD2-CG 4.39Å; Y100-L253 HydrophobicContact CE1-CD2 4.18Å; Y100-L253 HydrophobicContact CE2-CD2 3.92Å; Y100-L253 HydrophobicContact CE2-CG 4.27Å; Y100-L253 HydrophobicContact CG-CD2 3.59Å; L253-E255 PolarHBondContact O-N 2.93Å
254C42.2Very low42.9Very low50 Ų50108.8 Ų108.834%0.33860%0.6SS.*  trans-55.2128.2171.7-62.80000110.3Y226 P252 N256 G257Y226-C254 PolarHBondContact OH-N 2.94Å; Y226-C254 PolarHBondContact OH-SG 3Å; P252-C254 PolarHBondContact O-N 3.4Å; C254-N256 PolarHBondContact O-N 2.75Å; C254-G257 PolarHBondContact O-N 3Å
255E39.3Very low41.8Very low197 Ų197110.1 Ų110.192%0.92161%0.612SS**THydrogen-bonded Turntrans-59.3-4.1-173.2-80-178.7126.300115.8L253L253-E255 PolarHBondContact O-N 2.93Å
256N35.8Very low40.9Very low152 Ų152108.6 Ų108.681%0.81361%0.608SS**THydrogen-bonded Turntrans-95.411-177.9-60.5-58.6000114C254C254-N256 PolarHBondContact O-N 2.75Å
257G32.6Very low40.1Very low44 Ų44108.5 Ų108.545%0.45462%0.616SS.*SBendtrans-70.8156.8171.300000112.8C254 I259C254-G257 PolarHBondContact O-N 3Å; G257-I259 PolarHBondContact O-N 2.97Å
258P30.1Very low39.1Very low104 Ų104115.8 Ų115.868%0.67565%0.646SS**  trans-65126.5178.7-14.928.7000110.8T260P258-T260 PolarHBondContact O-N 2.84Å
259I32.8Very low38.2Very low162 Ų162122.5 Ų122.583%0.83168%0.676SS**  trans-62109.4170.7-60.8167.4000108G257 S261G257-I259 PolarHBondContact O-N 2.97Å; I259-S261 PolarHBondContact O-N 2.98Å
260T30.2Very low36.9Very low132 Ų132128.7 Ų128.781%0.8171%0.71SS**  trans-67.9114.7161.249.10000107.5P258 E262P258-T260 PolarHBondContact O-N 2.84Å; T260-E262 PolarHBondContact O-N 3.4Å
261S31.8Very low35.8Very low99 Ų99130.6 Ų130.669%0.69272%0.722SS**  trans-59.2123.417951.50000111.6I259I259-S261 PolarHBondContact O-N 2.98Å
262E36.8Very low34.4Very low175 Ų175138.6 Ų138.682%0.81876%0.758SS**  trans47.8106.2144.4-61.8175.2-167.700118.1T260T260-E262 PolarHBondContact O-N 3.4Å
263D30.1Very low33.2Very low168 Ų168139.4 Ų139.490%0.89877%0.766SS**  trans-13293.7132.2-106.2-31.4000107.7T265D263-T265 PolarHBondContact O-N 2.91Å
264E37.8Very low32.1Very low184 Ų184141.6 Ų141.686%0.8678%0.778SS**  trans-69.9112.2167.2-84.3-122.7155.200109.1
265T32.8Very low31.4Very low135 Ų135142.6 Ų142.683%0.82880%0.797SS**  trans-176.196.1143.619.40000112D263D263-T265 PolarHBondContact O-N 2.91Å
266S28.5Very low30.9Very low113 Ų113141.3 Ų141.379%0.7979%0.788SS**  trans-154.4104.3143.536.30000111.3
267S29.3Very low30.5Very low107 Ų107141.7 Ų141.775%0.74879%0.785SS**  trans22.5111.4145.7510000118.6
268K31.8Very low30.2Very low192 Ų192145.8 Ų145.884%0.83580%0.801SS**  trans-51.3134141-69.7178.1171.3-173.70109.5
269E31.1Very low30Very low185 Ų185148 Ų14886%0.86481%0.807SS**  trans-132132.1142.7-73.2-164158.100108.5
270D27.8Very low29.7Very low141 Ų141149.1 Ų149.175%0.75481%0.809SS**  trans-85.2135.1-176.2-52.6-72.9000110.5
271I30Very low29.3Very low168 Ų168148.1 Ų148.186%0.86280%0.802SS**  trans-133.299.6153.5-59.7-176000108.5
272E28.9Very low29Very low190 Ų190150.5 Ų150.589%0.88881%0.806SS**  trans-70.3130.8158-68.3-178.3131.200109.5
273S27.6Very low28.3Very low118 Ų118146.7 Ų146.783%0.82580%0.799SS**  trans-151.4103.5145.7-146.70000111.1
274D27.4Very low28Very low158 Ų158144 Ų14485%0.84579%0.785SS**  trans-27.4150.4161.9-167.313.8000116.4
275G27Very low27.4Very low70 Ų70143.2 Ų143.272%0.72278%0.781SS**  trans-176.52.5-172.400000120.8
276K28.5Very low27Very low170 Ų170143.9 Ų143.974%0.73977%0.774SS**  trans56.4116.8154.5-153169-169.4176.40121.6
277E26.5Very low26.9Very low160 Ų160146.1 Ų146.175%0.74877%0.772SS**  trans17.7131.3138.8-49.3169.3128.800120.3
278T26.4Very low26.4Very low130 Ų130146 Ų14680%0.79877%0.768SS**  -153.5123.4111.4-65.90000109.3E280T278-E280 HydrophobicContact CG2-CG 4.26Å
279L26.7Very low26.3Very low152 Ų152142.7 Ų142.780%0.79677%0.765SS**  trans-122.3104.7173.4-153.8166.1000105.9
280E25.9Very low25.9Very low185 Ų185140.6 Ų140.686%0.86476%0.759SS**  trans-110.1139168.8-76.9-159.8153.600110.7T278T278-E280 HydrophobicContact CG2-CG 4.26Å
281T22.7Very low25.7Very low110 Ų110140.9 Ų140.968%0.67577%0.766SS**  trans-111.2-174.8-166.5-57.50000109.4
282I24.7Very low25.3Very low149 Ų149141.6 Ų141.676%0.76476%0.763SS**  trans94.596.2162.9-54.9173.4000111.9
283S22.6Very low25Very low96 Ų96142 Ų14267%0.67176%0.762SS**  81150.479.3-70.40000112.6
284N24.1Very low24.8Very low112 Ų112144.1 Ų144.160%0.59976%0.762SS**  cis-160.1165.22.1-120.422.2000109.8
285E25.9Very low24.5Very low167 Ų167143.3 Ų143.378%0.7876%0.757SS**  trans58.6145.9149-68.9150.7-169.500119
286E24.2Very low24.5Very low148 Ų148146.2 Ų146.269%0.69276%0.764SS**  cis-143.5-169.1-1.6-128.8-147.914000107.5
287Q25.8Very low24.2Very low160 Ų160144.3 Ų144.375%0.74877%0.766SS**  cis-146.9173.312.3-164.1160.89000109.6
288T19.9Very low23.9Very low106 Ų106146.1 Ų146.165%0.6578%0.775SS**  trans-108.9170.8171.520.50000110.4
289P28.1Very low23.7Very low121 Ų121144.8 Ų144.879%0.78677%0.771SS**  cis-148.6170.640.540.2-17.4000120.2
290L23.6Very low23.4Very low142 Ų142143.5 Ų143.574%0.74377%0.769SS**  trans-74154.9168.7-69.988.4000113
291V23.3Very low23.2Very low147 Ų147140.5 Ų140.589%0.89177%0.769SS**  trans-132147.7145.7-179.50000110.2
292K22.5Very low23.2Very low182 Ų182145.2 Ų145.279%0.79178%0.78SS**  trans-100.1146.4-167.9-67.2167.8176.9169.50113.9
293K22.3Very low23.1Very low200 Ų200142.5 Ų142.587%0.8778%0.78SS**  trans6.3133.3132.4-160.8-177.6-165.2178.80118
294I22.6Very low23.1Very low161 Ų161146.8 Ų146.883%0.82679%0.789SS**  trans-164.3144.9152.4-101.1148.6000111.2
295N22.2Very low23.1Very low141 Ų141149.1 Ų149.175%0.75480%0.797SS**  trans-88.2167.8168.6-84.51.1000110.6
296P26.1Very low22.9Very low131 Ų131147.2 Ų147.285%0.85179%0.792SS**  trans-132.1155135.720.1-0.5000114.8
297T21.1Very low22.9Very low130 Ų130149.2 Ų149.280%0.79880%0.801SS**  trans-125.5137.5171.5-29.40000107.2
298E21.8Very low22.9Very low198 Ų198149.6 Ų149.693%0.92580%0.8SS**  trans-158.4168.4165.6-128.7171.6-148.600113.5
299S21.5Very low23.2Very low102 Ų102151.6 Ų151.671%0.71381%0.812SS**  trans-151.9179.7-170.261.10000110.3
300T20.8Very low23Very low125 Ų125152 Ų15277%0.76781%0.808SS**  cis-166.1149.732.4-36.20000111
301S22.1Very low23.2Very low122 Ų122150.8 Ų150.885%0.85381%0.811SS**  trans-152.1130158.162.50000114.4
302K22.1Very low23.3Very low209 Ų209152.6 Ų152.691%0.90981%0.807SS**  trans-132.4143.3171.7-89-174.4172.3-175.30109.5
303A22.8Very low23.5Very low92 Ų92152.2 Ų152.276%0.7681%0.81SS**  trans173.7148.515000000107.4
304E23.4Very low23.9Very low186 Ų186152.4 Ų152.487%0.86981%0.811SS**  cis-157.3174-22-123.1163.8-158.400108.2
305E23.8Very low24.2Very low162 Ų162149.1 Ų149.176%0.75781%0.807SS**  trans-58.9175.5-173.3-45.7176.7145.900115.8
306N21.8Very low24.7Very low126 Ų126151 Ų15167%0.67481%0.809SS**  cis-146.1172.319.1-98.5-61.5000108.7
307E23.9Very low25.2Very low190 Ų190154.7 Ų154.789%0.88881%0.812SS**  cis-142.7165.337-75.2-174.412200114.3
308K24.4Very low25.8Very low168 Ų168157.7 Ų157.773%0.7381%0.814SS**  trans-90.9141.3174.8-69.3173.5174.9174.10112.9
309V26.9Very low26.5Very low148 Ų148154.2 Ų154.290%0.89781%0.809SS**  trans-131.2118.8133.51790000108.1
310D24.4Very low28.3Very low130 Ų130155.2 Ų155.270%0.69581%0.805SS**  trans-79.2130.3-178.7-101.8-60.3000112
311S27Very low31.2Very low116 Ų116152.1 Ų152.181%0.81179%0.789SS**  trans-154.5132.5138.342.70000112.4
312K26.3Very low34.3Very low186 Ų186149.8 Ų149.881%0.80977%0.769SS**  trans-58155.3175.4-64.4163.8179.2171.70110.7
313M27Very low37.5Very low174 Ų174143 Ų14386%0.85774%0.74SS**  cis-156.9157.411-132150.360.500110.5
314K30.7Very low40.8Very low204 Ų204146.4 Ų146.489%0.88774%0.738SS**  trans-79.8138.9176-67.3167.1175.6168.10111.4
315A27.4Very low43.9Very low91 Ų91137.8 Ų137.875%0.75270%0.699SS**  171.589.1120.200000114.4
316F32.9Very low47.1Very low180 Ų180135.1 Ų135.179%0.78970%0.695SS**  trans-112.599.6152.6-85.7-83000109.1
317K37.7Very low50.5Low209 Ų209130.1 Ų130.191%0.90967%0.669SS**  trans-137.379.4170.5-84.3-164174-172.30111.4
318K34.1Very low53.9Low193 Ų193121.1 Ų121.184%0.83963%0.626SS**SBendtrans-112.2145.7132.7-74.5-176.3177-179.50106.4L320K318-L320 PolarHBondContact O-N 3.39Å
319P34.9Very low57.3Low126 Ų126115.8 Ų115.882%0.81860%0.604SS**PPolyproline II helixtrans-60.4122.2166.126.9-31.8000107.6S321P319-S321 PolarHBondContact O-N 3.21Å; P319-S321 VanDerWaalsContact O-N 3.14Å
320L60.4Low60.5Low122 Ų122108.8 Ų108.864%0.63956%0.562SS**PPolyproline II helixtrans-60.2119.2165.1-71.2166.2000106.1K318 V322 S331K318-L320 PolarHBondContact O-N 3.39Å; L320-V322 PolarHBondContact O-N 3.45Å; L320-S331 WeakPolarHBondContact CB-OG 3.41Å
321S80.4Confident63.7Low61 Ų61103.4 Ų103.443%0.42753%0.534SS..PPolyproline II helixtrans-61.4139.6179.150.30000108.9P319 P332 A333P319-S321 PolarHBondContact O-N 3.21Å; P319-S321 VanDerWaalsContact O-N 3.14Å; S321-P332 CarbonylContact O-C 3.54Å; S321-P332 VanDerWaalsContact O-C 3.32Å; S321-P332 VanDerWaalsContact O-CA 3.28Å; S321-P332 WeakPolarHBondContact O-CA 3.36Å; S321-A333 PolarHBondContact O-N 3.32Å; S321-A333 WeakPolarHBondContact OG-CB 3.28Å; S321-A333 PolarHBondContact OG-N 3.12Å
322V88.2Confident66.7Low73 Ų7398.4 Ų98.444%0.44250%0.499SS..  trans-117.1115.4180-173.30000109.4L320 K324 H329 I330L320-V322 PolarHBondContact O-N 3.45Å; V322-K324 PolarHBondContact O-N 2.89Å; V322-H329 HydrophobicContact CG1-CB 3.89Å; V322-I330 CarbonylContact C-O 3.53Å; V322-I330 WeakPolarHBondContact CA-O 3.34Å
323F88.8Confident69.3Low67 Ų6790 Ų9029%0.29447%0.465SS..EExtended strand (participates in β ladder)trans-72.5124.1167.6170.4-98.2000108.3G325 H329 I330 A333 M436 H438F323-G325 PolarHBondContact O-N 3.29Å; F323-H329 CarbonylContact O-C 3.44Å; F323-H329 VanDerWaalsContact O-CA 3.28Å; F323-H329 WeakPolarHBondContact O-CA 3.49Å; F323-I330 HydrophobicContact CB-CB 4.31Å; F323-I330 HydrophobicContact CD1-CB 4.38Å; F323-I330 HydrophobicContact CD1-CD1 4.11Å; F323-I330 HydrophobicContact CD1-CG1 4.27Å; F323-I330 PolarHBondContact N-O 3.17Å; F323-I330 PolarHBondContact O-N 3.03Å; F323-A333 HydrophobicContact CB-CB 3.95Å; F323-A333 VanDerWaalsContact N-CB 3.33Å; F323-M436 HydrophobicContact CD1-CE 4.44Å; F323-M436 HydrophobicContact CE1-CE 3.86Å; F323-H438 HydrophobicContact CD1-CB 4.48Å; F323-H438 AromaticContact CD1-CE1 3.98Å; F323-H438 AromaticContact CD1-CG 3.86Å; F323-H438 AromaticContact CD1-ND1 3.83Å; F323-H438 AromaticContact CD2-CE1 3.59Å; F323-H438 AromaticContact CD2-ND1 3.81Å; F323-H438 HydrophobicContact CE1-CB 4.29Å; F323-H438 AromaticContact CE1-ND1 3.91Å; F323-H438 AromaticContact CE2-ND1 3.9Å; F323-H438 AromaticContact CG-CE1 3.51Å; F323-H438 AromaticContact CG-ND1 3.78Å; F323-H438 AromaticContact CG-NE2 3.81Å; F323-H438 AromaticContact CZ-ND1 3.95Å
324K92.5Very high71.9Confident162 Ų16286.5 Ų86.570%0.70445%0.446SS*.EExtended strand (participates in β ladder)trans-96.884.9178.8-65.3-171.1179.3-178.90110.5V322V322-K324 PolarHBondContact O-N 2.89Å
325G88.8Confident74.6Confident5 Ų578.7 Ų78.75%0.05241%0.413CS..  trans-80.3159.8173.900000112.7F323 L327 L328F323-G325 PolarHBondContact O-N 3.29Å; G325-L327 VanDerWaalsContact C-N 3.28Å; G325-L327 PolarHBondContact O-N 3.01Å; G325-L328 VanDerWaalsContact CA-O 3.23Å; G325-L328 WeakPolarHBondContact CA-O 3.28Å; G325-L328 PolarHBondContact N-O 3.47Å
326P90Very high77.4Confident106 Ų10674.4 Ų74.469%0.68838%0.377SS*.SBendtrans-67.3-24.5179.327-35.9000114M436P326-M436 HydrophobicContact CG-SD 4.21Å
327L94.1Very high79.6Confident22 Ų2271.2 Ų71.212%0.11536%0.361CS..SBendtrans-106.7-40.9177.9-55.9-178.2000112.6G325 N354 V355 T356 V360 E411 M436G325-L327 VanDerWaalsContact C-N 3.28Å; G325-L327 PolarHBondContact O-N 3.01Å; L327-N354 PolarHBondContact O-OD1 2.61Å; L327-V355 PolarHBondContact O-N 3.19Å; L327-T356 HydrophobicContact CB-CG2 4.28Å; L327-T356 HydrophobicContact CD2-CG2 3.73Å; L327-V360 HydrophobicContact CB-CG1 4.36Å; L327-V360 HydrophobicContact CB-CG2 4.38Å; L327-E411 HydrophobicContact CD2-CB 4.35Å; L327-M436 HydrophobicContact CB-SD 3.97Å; L327-M436 HydrophobicContact CD1-CB 3.96Å; L327-M436 HydrophobicContact CG-CB 4.34Å; L327-M436 HydrophobicContact CG-SD 4.46Å
328L95.2Very high81.5Confident0 Ų062.1 Ų62.10%032%0.321CS..EExtended strand (participates in β ladder)trans-132.1137.8-178.3-60175000111.2G325 I330 L352 T353 N354 V360 F362 A409 M436G325-L328 VanDerWaalsContact CA-O 3.23Å; G325-L328 WeakPolarHBondContact CA-O 3.28Å; G325-L328 PolarHBondContact N-O 3.47Å; L328-I330 HydrophobicContact CB-CG1 4.19Å; L328-L352 HydrophobicContact CD1-CB 4.27Å; L328-L352 HydrophobicContact CD1-CD1 3.97Å; L328-L352 HydrophobicContact CD1-CD2 4.32Å; L328-L352 HydrophobicContact CD1-CG 4.42Å; L328-T353 CarbonylContact C-O 3.58Å; L328-T353 VanDerWaalsContact CA-O 3.3Å; L328-T353 WeakPolarHBondContact CA-O 3.31Å; L328-N354 HydrophobicContact CD2-CB 4.04Å; L328-V360 HydrophobicContact CD1-CG1 4.26Å; L328-V360 HydrophobicContact CD2-CB 4.17Å; L328-V360 HydrophobicContact CD2-CG1 3.83Å; L328-V360 HydrophobicContact CG-CG1 3.97Å; L328-F362 HydrophobicContact CD1-CB 4.28Å; L328-A409 HydrophobicContact CD1-CB 3.49Å; L328-A409 VanDerWaalsContact CD1-CB 3.49Å; L328-A409 HydrophobicContact CG-CB 4.03Å; L328-M436 HydrophobicContact CB-CE 3.95Å
329H95.4Very high82.7Confident57 Ų5754.9 Ų54.926%0.26430%0.301SS..EExtended strand (participates in β ladder)trans-81.1136.8155.1-71.4178.6000109.5V322 F323 L352 T353 V355V322-H329 HydrophobicContact CG1-CB 3.89Å; F323-H329 CarbonylContact O-C 3.44Å; F323-H329 VanDerWaalsContact O-CA 3.28Å; F323-H329 WeakPolarHBondContact O-CA 3.49Å; H329-L352 CarbonylContact O-C 3.58Å; H329-L352 WeakPolarHBondContact O-CA 3.39Å; H329-T353 PolarHBondContact N-O 3.37Å; H329-T353 PolarHBondContact O-N 3.3Å; H329-V355 HydrophobicContact CB-CG1 4.4Å
330I95.4Very high83.4Confident0 Ų051.5 Ų51.50%028%0.276CS..EExtended strand (participates in β ladder)trans-127.7126.1-173.8-54.3177.6000109.8V322 F323 L328 I350 V351 L352 I407 M436 H438V322-I330 CarbonylContact C-O 3.53Å; V322-I330 WeakPolarHBondContact CA-O 3.34Å; F323-I330 HydrophobicContact CB-CB 4.31Å; F323-I330 HydrophobicContact CD1-CB 4.38Å; F323-I330 HydrophobicContact CD1-CD1 4.11Å; F323-I330 HydrophobicContact CD1-CG1 4.27Å; F323-I330 PolarHBondContact N-O 3.17Å; F323-I330 PolarHBondContact O-N 3.03Å; L328-I330 HydrophobicContact CB-CG1 4.19Å; I330-I350 HydrophobicContact CG2-CG2 4.01Å; I330-V351 WeakPolarHBondContact CA-O 3.48Å; I330-L352 HydrophobicContact CB-CD2 4.34Å; I330-L352 HydrophobicContact CD1-CD2 4.22Å; I330-L352 HydrophobicContact CG1-CD2 3.78Å; I330-L352 HydrophobicContact CG2-CD2 3.99Å; I330-I407 HydrophobicContact CD1-CB 4.32Å; I330-I407 HydrophobicContact CD1-CD1 4Å; I330-I407 HydrophobicContact CD1-CG2 3.99Å; I330-I407 HydrophobicContact CG2-CD1 3.64Å; I330-M436 HydrophobicContact CD1-CE 3.6Å; I330-M436 HydrophobicContact CG1-CE 4.33Å; I330-H438 HydrophobicContact CD1-CB 3.61Å
331S90.2Very high82.8Confident18 Ų1852.7 Ų52.713%0.12629%0.289CS..EExtended strand (participates in β ladder)trans-127.7125.3178.5170.40000110L320 I350 V351L320-S331 WeakPolarHBondContact CB-OG 3.41Å; S331-I350 CarbonylContact O-C 3.23Å; S331-I350 WeakPolarHBondContact O-CA 3.2Å; S331-V351 PolarHBondContact N-O 2.92Å; S331-V351 PolarHBondContact O-N 3.3Å
332P91Very high81.1Confident10 Ų1058.4 Ų58.47%0.06531%0.309CS..SBendcis-71.2159-1.330.1-35.3000113.1S321 E335 L336 L349 L440S321-P332 CarbonylContact O-C 3.54Å; S321-P332 VanDerWaalsContact O-C 3.32Å; S321-P332 VanDerWaalsContact O-CA 3.28Å; S321-P332 WeakPolarHBondContact O-CA 3.36Å; P332-E335 WeakPolarHBondContact CB-O 3.42Å; P332-E335 WeakPolarHBondContact CG-O 3.37Å; P332-L336 HydrophobicContact CG-CD2 3.78Å; P332-L349 VanDerWaalsContact CD-O 3.31Å; P332-L349 WeakPolarHBondContact CD-O 3.36Å; P332-L440 WeakPolarHBondContact O-CD2 3.35Å
333A80.4Confident79.3Confident11 Ų1158.2 Ų58.29%0.09131%0.31CS..SBendtrans-74.5-30.5-17300000113.9S321 F323 H438 L440S321-A333 PolarHBondContact O-N 3.32Å; S321-A333 WeakPolarHBondContact OG-CB 3.28Å; S321-A333 PolarHBondContact OG-N 3.12Å; F323-A333 HydrophobicContact CB-CB 3.95Å; F323-A333 VanDerWaalsContact N-CB 3.33Å; A333-H438 PolarHBondContact O-CE1 2.92Å; A333-H438 PolarHBondContact O-NE2 3.44Å; A333-L440 WeakPolarHBondContact O-CD2 3.23Å
334E81.7Confident77.5Confident99 Ų9958.2 Ų58.246%0.46333%0.33SS..SBendtrans-139.6-33.9-171.4-71.8-168.3-134.600114.5L440 R441E334-L440 CarbonylContact O-C 3.58Å; E334-L440 VanDerWaalsContact O-CA 3.29Å; E334-L440 WeakPolarHBondContact O-CA 3.34Å; E334-R441 PolarHBondContact O-N 3.01Å; E334-R441 IonicContact OE2-CZ 3.26Å; E334-R441 VanDerWaalsContact OE2-CZ 3.28Å; E334-R441 IonicContact OE2-NH1 3.43Å; E334-R441 PolarHBondContact OE2-NH1 2.93Å; E334-R441 IonicContact OE2-NH2 3.83Å; E334-R441 PolarHBondContact OE2-NH2 3.45Å
335E86.6Confident75.7Confident41 Ų4155.6 Ų55.619%0.19232%0.32CS..EExtended strand (participates in β ladder)trans-132.5134-164.8-57.3-163.1157.600112.8P332 Y337 R441 H443P332-E335 WeakPolarHBondContact CB-O 3.42Å; P332-E335 WeakPolarHBondContact CG-O 3.37Å; E335-Y337 HydrophobicContact CB-CE1 4.41Å; E335-Y337 HydrophobicContact CB-CE2 4.02Å; E335-Y337 PolarHBondContact OE2-OH 3.35Å; E335-R441 CarbonylContact C-O 3.59Å; E335-R441 WeakPolarHBondContact CA-O 3.38Å; E335-R441 IonicContact OE1-CZ 3.18Å; E335-R441 IonicContact OE1-NE 2.73Å; E335-R441 PolarHBondContact OE1-NE 3.48Å; E335-R441 IonicContact OE1-NH2 3.13Å; E335-R441 PolarHBondContact OE1-NH2 2.97Å; E335-H443 IonicContact OE2-ND1 2.7Å
336L86.3Confident74.9Confident0 Ų061.2 Ų61.20%034%0.343CS..EExtended strand (participates in β ladder)trans-101.9112173.9-67.3179.2000109.5P332 F338 T348 I350 F405 L440 R441 H443P332-L336 HydrophobicContact CG-CD2 3.78Å; L336-F338 HydrophobicContact CB-CD2 4.36Å; L336-F338 HydrophobicContact CB-CE2 3.62Å; L336-F338 HydrophobicContact CB-CZ 4.2Å; L336-F338 HydrophobicContact CD1-CZ 4.42Å; L336-F338 WeakPolarHBondContact O-CD2 3.39Å; L336-T348 HydrophobicContact CB-CG2 4.16Å; L336-T348 HydrophobicContact CD1-CG2 4.47Å; L336-T348 HydrophobicContact CD2-CG2 4.04Å; L336-T348 HydrophobicContact CG-CG2 4.46Å; L336-I350 HydrophobicContact CD1-CD1 4.15Å; L336-I350 HydrophobicContact CD1-CG1 4.45Å; L336-I350 HydrophobicContact CD2-CD1 4.27Å; L336-I350 HydrophobicContact CD2-CG1 3.67Å; L336-F405 HydrophobicContact CD1-CB 4.46Å; L336-F405 HydrophobicContact CD1-CD2 3.51Å; L336-F405 HydrophobicContact CD1-CE2 3.83Å; L336-F405 HydrophobicContact CD1-CG 3.96Å; L336-L440 HydrophobicContact CD1-CB 4.37Å; L336-L440 HydrophobicContact CD1-CD1 4.26Å; L336-L440 HydrophobicContact CD2-CD1 4.05Å; L336-L440 HydrophobicContact CG-CB 4.22Å; L336-L440 HydrophobicContact CG-CD1 4.1Å; L336-R441 PolarHBondContact N-O 2.82Å; L336-H443 PolarHBondContact O-N 2.92Å
337Y80.2Confident74.5Confident114 Ų11460.9 Ų60.945%0.44733%0.331SS..EExtended strand (participates in β ladder)trans-88.9131.8174.1-55.9-77.4000109.7E335 T348 H443E335-Y337 HydrophobicContact CB-CE1 4.41Å; E335-Y337 HydrophobicContact CB-CE2 4.02Å; E335-Y337 PolarHBondContact OE2-OH 3.35Å; Y337-T348 WeakPolarHBondContact O-CB 3.39Å; Y337-T348 PolarHBondContact O-OG1 2.95Å; Y337-H443 HydrophobicContact CD1-CB 3.72Å; Y337-H443 AromaticContact CD1-CD2 3.92Å; Y337-H443 HydrophobicContact CE1-CB 3.61Å; Y337-H443 AromaticContact CE1-CD2 3.76Å; Y337-H443 AromaticContact CE1-CG 3.67Å
338F76.4Confident74.2Confident18 Ų1861 Ų618%0.07933%0.332CS..  trans-117.2110.6179.9-68.7-94.7000110.5L336 K346 T348 Y372 V391 P393 V399 F405 C442L336-F338 HydrophobicContact CB-CD2 4.36Å; L336-F338 HydrophobicContact CB-CE2 3.62Å; L336-F338 HydrophobicContact CB-CZ 4.2Å; L336-F338 HydrophobicContact CD1-CZ 4.42Å; L336-F338 WeakPolarHBondContact O-CD2 3.39Å; F338-K346 WeakPolarHBondContact CD1-O 3.45Å; F338-T348 HydrophobicContact CD1-CG2 4.01Å; F338-T348 HydrophobicContact CE1-CG2 3.5Å; F338-T348 VanDerWaalsContact CE1-CG2 3.5Å; F338-T348 HydrophobicContact CE2-CG2 4.1Å; F338-T348 HydrophobicContact CZ-CG2 3.56Å; F338-Y372 HydrophobicContact CE1-CD1 4.05Å; F338-Y372 AromaticContact CE1-CE1 3.93Å; F338-Y372 HydrophobicContact CE1-CE1 3.93Å; F338-Y372 HydrophobicContact CE2-CE1 4.22Å; F338-Y372 HydrophobicContact CZ-CD1 4Å; F338-Y372 AromaticContact CZ-CE1 3.71Å; F338-Y372 HydrophobicContact CZ-CE1 3.71Å; F338-V391 HydrophobicContact CE1-CB 4.48Å; F338-V391 HydrophobicContact CE1-CG1 3.9Å; F338-V391 HydrophobicContact CZ-CG1 3.8Å; F338-P393 HydrophobicContact CD1-CG 3.95Å; F338-P393 HydrophobicContact CE1-CG 4.32Å; F338-V399 HydrophobicContact CB-CB 4.45Å; F338-V399 HydrophobicContact CB-CG1 4.2Å; F338-V399 HydrophobicContact CB-CG2 3.85Å; F338-V399 HydrophobicContact CD1-CG2 4.12Å; F338-V399 HydrophobicContact CD2-CG1 3.64Å; F338-V399 HydrophobicContact CD2-CG2 4.28Å; F338-V399 HydrophobicContact CE2-CG1 4.22Å; F338-V399 HydrophobicContact CG-CG1 4.02Å; F338-V399 HydrophobicContact CG-CG2 3.84Å; F338-F405 HydrophobicContact CZ-CE2 4.29Å; F338-F405 HydrophobicContact CZ-CZ 4.48Å; F338-C442 HydrophobicContact CE2-CB 4.31Å; F338-C442 VanDerWaalsContact CE2-SG 3.57Å
339G59.3Low73.9Confident40 Ų4064.5 Ų64.541%0.41235%0.351SS..  trans111.3131.8176.900000113.4
340N50Low73.9Confident56 Ų5661.8 Ų61.830%0.29934%0.338SS..  trans-117.9138.1162.6-177.630.8000108.5E342 S343N340-E342 PolarHBondContact O-N 3.43Å; N340-S343 PolarHBondContact O-N 3.37Å
341T47.2Very low73.8Confident147 Ų14763.3 Ų63.390%0.90235%0.347SS*.THydrogen-bonded Turntrans-68.2-8.1-169.8-19.80000114.3
342E46.3Very low74.1Confident181 Ų18162.4 Ų62.485%0.84634%0.341SS*.THydrogen-bonded Turntrans-111.9-14.2-173.4-61.4-177154.900114.7N340N340-E342 PolarHBondContact O-N 3.43Å
343S49.1Very low74.3Confident68 Ų6863.9 Ų63.948%0.47635%0.35SS..THydrogen-bonded Turntrans-121.3-13.3-170.265.40000116.1N340 E345N340-S343 PolarHBondContact O-N 3.37Å; S343-E345 PolarHBondContact O-N 2.88Å
344G52.3Low75Confident68 Ų6863.4 Ų63.470%0.70135%0.346SS*.  trans67.9-11.2-177.800000115.8K346G344-K346 PolarHBondContact O-N 3.42Å
345E55Low75.6Confident106 Ų10661.9 Ų61.950%0.49534%0.343SS..  trans-72.2110.8176.4-69.8-121.7121.100110.9S343 K347S343-E345 PolarHBondContact O-N 2.88Å; E345-K347 PolarHBondContact O-N 3.24Å; E345-K347 WeakPolarHBondContact OE1-CE 3.46Å; E345-K347 IonicContact OE1-NZ 2.59Å; E345-K347 PolarHBondContact OE1-NZ 3.31Å; E345-K347 IonicContact OE2-NZ 2.75Å; E345-K347 PolarHBondContact OE2-NZ 2.97Å
346K71.6Confident75.9Confident123 Ų12361 Ų6154%0.53534%0.34SS..  trans-80.825.1173.2-57-172.9-179.8-177.60113.2F338 G344 P393F338-K346 WeakPolarHBondContact CD1-O 3.45Å; G344-K346 PolarHBondContact O-N 3.42Å; K346-P393 HydrophobicContact CB-CG 4.11Å; K346-P393 WeakPolarHBondContact O-CD 3.34Å
347K81.5Confident76.2Confident100 Ų10069.7 Ų69.744%0.43538%0.378SS..  trans-93.6156.4-178.4-51.7-169.8-157.8119.90111E345 V390 V391E345-K347 PolarHBondContact O-N 3.24Å; E345-K347 WeakPolarHBondContact OE1-CE 3.46Å; E345-K347 IonicContact OE1-NZ 2.59Å; E345-K347 PolarHBondContact OE1-NZ 3.31Å; E345-K347 IonicContact OE2-NZ 2.75Å; E345-K347 PolarHBondContact OE2-NZ 2.97Å; K347-V390 HydrophobicContact CB-CG1 4.42Å; K347-V390 HydrophobicContact CD-CG1 4.04Å; K347-V391 WeakPolarHBondContact CA-O 3.2Å
348T87.3Confident76.8Confident25 Ų2566.2 Ų66.215%0.15337%0.367CS..EExtended strand (participates in β ladder)trans-141.8160.6174.7-161.30000110.3L336 Y337 F338 V391L336-T348 HydrophobicContact CB-CG2 4.16Å; L336-T348 HydrophobicContact CD1-CG2 4.47Å; L336-T348 HydrophobicContact CD2-CG2 4.04Å; L336-T348 HydrophobicContact CG-CG2 4.46Å; Y337-T348 WeakPolarHBondContact O-CB 3.39Å; Y337-T348 PolarHBondContact O-OG1 2.95Å; F338-T348 HydrophobicContact CD1-CG2 4.01Å; F338-T348 HydrophobicContact CE1-CG2 3.5Å; F338-T348 VanDerWaalsContact CE1-CG2 3.5Å; F338-T348 HydrophobicContact CE2-CG2 4.1Å; F338-T348 HydrophobicContact CZ-CG2 3.56Å; T348-V391 HydrophobicContact CG2-CB 3.83Å; T348-V391 HydrophobicContact CG2-CG1 4.42Å; T348-V391 PolarHBondContact N-O 2.97Å; T348-V391 PolarHBondContact O-N 2.97Å
349L89.8Confident77.6Confident73 Ų7366.7 Ų66.738%0.38237%0.37SS..EExtended strand (participates in β ladder)trans-120.6132.5-171-167.372.5000110.6P332 V351 D388 V390P332-L349 VanDerWaalsContact CD-O 3.31Å; P332-L349 WeakPolarHBondContact CD-O 3.36Å; L349-V351 HydrophobicContact CD2-CG2 3.8Å; L349-V351 HydrophobicContact CG-CG2 4.15Å; L349-D388 HydrophobicContact CD1-CB 3.99Å; L349-V390 HydrophobicContact CD1-CG2 4.14Å
350I93.6Very high79.4Confident0 Ų064.8 Ų64.80%035%0.351CS..EExtended strand (participates in β ladder)trans-109.2123.3163.3-60159.8000107I330 S331 L336 L352 I389 V391 I407 L440I330-I350 HydrophobicContact CG2-CG2 4.01Å; S331-I350 CarbonylContact O-C 3.23Å; S331-I350 WeakPolarHBondContact O-CA 3.2Å; L336-I350 HydrophobicContact CD1-CD1 4.15Å; L336-I350 HydrophobicContact CD1-CG1 4.45Å; L336-I350 HydrophobicContact CD2-CD1 4.27Å; L336-I350 HydrophobicContact CD2-CG1 3.67Å; I350-L352 HydrophobicContact CG2-CD2 3.8Å; I350-L352 HydrophobicContact CG2-CG 4.39Å; I350-I389 HydrophobicContact CB-CB 4.15Å; I350-I389 PolarHBondContact N-O 2.94Å; I350-I389 PolarHBondContact O-N 3.34Å; I350-V391 HydrophobicContact CD1-CG2 3.8Å; I350-V391 HydrophobicContact CG1-CG2 4.44Å; I350-I407 HydrophobicContact CD1-CD1 4.5Å; I350-I407 HydrophobicContact CG2-CD1 3.92Å; I350-L440 HydrophobicContact CD1-CD1 3.8Å; I350-L440 HydrophobicContact CG1-CD1 3.83Å; I350-L440 HydrophobicContact CG2-CD1 4.49Å
351V94Very high81.6Confident31 Ų3162.1 Ų62.119%0.18834%0.336CS..EExtended strand (participates in β ladder)trans-101.2119171.4-172.20000107.9I330 S331 L349I330-V351 WeakPolarHBondContact CA-O 3.48Å; S331-V351 PolarHBondContact N-O 2.92Å; S331-V351 PolarHBondContact O-N 3.3Å; L349-V351 HydrophobicContact CD2-CG2 3.8Å; L349-V351 HydrophobicContact CG-CG2 4.15Å
352L96Very high83.9Confident0 Ų055.1 Ų55.10%029%0.293CS..EExtended strand (participates in β ladder)trans-97135.5168.6-55.6-175.1000108.3L328 H329 I330 I350 F362 S386 V387 I389 I407L328-L352 HydrophobicContact CD1-CB 4.27Å; L328-L352 HydrophobicContact CD1-CD1 3.97Å; L328-L352 HydrophobicContact CD1-CD2 4.32Å; L328-L352 HydrophobicContact CD1-CG 4.42Å; H329-L352 CarbonylContact O-C 3.58Å; H329-L352 WeakPolarHBondContact O-CA 3.39Å; I330-L352 HydrophobicContact CB-CD2 4.34Å; I330-L352 HydrophobicContact CD1-CD2 4.22Å; I330-L352 HydrophobicContact CG1-CD2 3.78Å; I330-L352 HydrophobicContact CG2-CD2 3.99Å; I350-L352 HydrophobicContact CG2-CD2 3.8Å; I350-L352 HydrophobicContact CG2-CG 4.39Å; L352-F362 HydrophobicContact CD1-CB 3.9Å; L352-F362 HydrophobicContact CD1-CD1 3.79Å; L352-F362 HydrophobicContact CD1-CD2 3.55Å; L352-F362 HydrophobicContact CD1-CE1 4.14Å; L352-F362 HydrophobicContact CD1-CE2 3.95Å; L352-F362 HydrophobicContact CD1-CG 3.46Å; L352-F362 VanDerWaalsContact CD1-CG 3.46Å; L352-F362 HydrophobicContact CD1-CZ 4.2Å; L352-S386 CarbonylContact O-C 3.5Å; L352-S386 WeakPolarHBondContact O-CA 3.47Å; L352-V387 PolarHBondContact N-O 3.37Å; L352-V387 PolarHBondContact O-N 2.92Å; L352-I389 HydrophobicContact CD1-CD1 3.47Å; L352-I389 VanDerWaalsContact CD1-CD1 3.47Å; L352-I389 HydrophobicContact CG-CD1 3.82Å; L352-I407 HydrophobicContact CD1-CG2 4.43Å; L352-I407 HydrophobicContact CD2-CD1 4.13Å; L352-I407 HydrophobicContact CD2-CG2 4.07Å
353T95Very high86.3Confident40 Ų4049.4 Ų49.425%0.24527%0.266CS..EExtended strand (participates in β ladder)trans-128.4122173.8-58.10000109.7L328 H329 A385 S386L328-T353 CarbonylContact C-O 3.58Å; L328-T353 VanDerWaalsContact CA-O 3.3Å; L328-T353 WeakPolarHBondContact CA-O 3.31Å; H329-T353 PolarHBondContact N-O 3.37Å; H329-T353 PolarHBondContact O-N 3.3Å; T353-A385 WeakPolarHBondContact CA-O 3.45Å; T353-S386 WeakPolarHBondContact CG2-OG 3.48Å; T353-S386 PolarHBondContact OG1-OG 3.47Å
354N96.5Very high88.5Confident2 Ų246.6 Ų46.61%0.01125%0.246CC..EExtended strand (participates in β ladder)trans-77.1123.3-179.7-177.61000110.8L327 L328 T356 N358 V360 C381 D382 G384 A385L327-N354 PolarHBondContact O-OD1 2.61Å; L328-N354 HydrophobicContact CD2-CB 4.04Å; N354-T356 PolarHBondContact OD1-N 2.96Å; N354-T356 PolarHBondContact OD1-OG1 3.05Å; N354-T356 VanDerWaalsContact OD1-OG1 3.05Å; N354-N358 PolarHBondContact ND2-O 3.46Å; N354-V360 WeakPolarHBondContact OD1-CG2 3.43Å; N354-C381 HydrophobicContact CB-CB 4.38Å; N354-C381 PolarHBondContact ND2-O 3.04Å; N354-D382 VanDerWaalsContact CB-O 3.29Å; N354-D382 WeakPolarHBondContact CB-O 3.43Å; N354-D382 VanDerWaalsContact ND2-C 3.33Å; N354-D382 PolarHBondContact ND2-O 3.49Å; N354-G384 VanDerWaalsContact O-CA 3.23Å; N354-G384 WeakPolarHBondContact O-CA 3.5Å; N354-G384 PolarHBondContact O-N 3.31Å; N354-G384 VanDerWaalsContact O-N 3.15Å; N354-A385 PolarHBondContact N-O 3.02Å
355V94.4Very high90.4Very high67 Ų6749.6 Ų49.641%0.40624%0.236SC..  trans-107.74-178.9-640000113.3L327 H329L327-V355 PolarHBondContact O-N 3.19Å; H329-V355 HydrophobicContact CB-CG1 4.4Å
356T93.3Very high92.1Very high21 Ų2145.8 Ų45.813%0.12922%0.22CC..SBendtrans-93.5177.5176.783.80000111.6L327 N354 N358 V360L327-T356 HydrophobicContact CB-CG2 4.28Å; L327-T356 HydrophobicContact CD2-CG2 3.73Å; N354-T356 PolarHBondContact OD1-N 2.96Å; N354-T356 PolarHBondContact OD1-OG1 3.05Å; N354-T356 VanDerWaalsContact OD1-OG1 3.05Å; T356-N358 PolarHBondContact OG1-N 3.37Å; T356-N358 PolarHBondContact OG1-O 2.9Å; T356-V360 HydrophobicContact CG2-CG2 4.1Å
357K91.7Very high93Very high183 Ų18344.5 Ų44.580%0.79622%0.222SC*.SBendtrans-92.9-2.6175.6-62.9-176.9-179.6179.90113.4P383K357-P383 WeakPolarHBondContact O-CG 3.44Å
358N92.2Very high93.2Very high41 Ų4139.8 Ų39.822%0.21920%0.202CC..SBendtrans-123.3167.8-176.4-64.2-50.8000110.7N354 T356 E411 Q414N354-N358 PolarHBondContact ND2-O 3.46Å; T356-N358 PolarHBondContact OG1-N 3.37Å; T356-N358 PolarHBondContact OG1-O 2.9Å; N358-E411 HydrophobicContact CB-CG 3.72Å; N358-E411 WeakPolarHBondContact CB-OE1 3.39Å; N358-E411 PolarHBondContact ND2-OE1 2.85Å; N358-Q414 WeakPolarHBondContact OD1-CG 3.45Å; N358-Q414 PolarHBondContact OD1-NE2 3.09Å
359I93.9Very high93.2Very high28 Ų2842.9 Ų42.914%0.14422%0.223CC..  trans-67.2136.1176.9-61.5174.2000108.6M412 T418I359-M412 HydrophobicContact CB-CB 4.35Å; I359-M412 HydrophobicContact CG2-SD 3.97Å; I359-M412 WeakPolarHBondContact O-CB 3.44Å; I359-M412 PolarHBondContact O-N 3.05Å; I359-T418 HydrophobicContact CD1-CG2 4Å; I359-T418 HydrophobicContact CG2-CG2 4.15Å
360V96.1Very high92.8Very high0 Ų044.4 Ų44.40%023%0.228CC..EExtended strand (participates in β ladder)trans-110.8117.2175.71740000109.5L327 L328 N354 T356 S380 C381 A409 A410L327-V360 HydrophobicContact CB-CG1 4.36Å; L327-V360 HydrophobicContact CB-CG2 4.38Å; L328-V360 HydrophobicContact CD1-CG1 4.26Å; L328-V360 HydrophobicContact CD2-CB 4.17Å; L328-V360 HydrophobicContact CD2-CG1 3.83Å; L328-V360 HydrophobicContact CG-CG1 3.97Å; N354-V360 WeakPolarHBondContact OD1-CG2 3.43Å; T356-V360 HydrophobicContact CG2-CG2 4.1Å; V360-S380 CarbonylContact O-C 3.58Å; V360-S380 WeakPolarHBondContact O-CA 3.5Å; V360-C381 PolarHBondContact N-O 2.84Å; V360-C381 PolarHBondContact O-N 2.93Å; V360-A409 HydrophobicContact CG1-CB 3.92Å; V360-A410 CarbonylContact C-O 3.58Å; V360-A410 WeakPolarHBondContact CA-O 3.34Å
361A96.5Very high92.4Very high0 Ų046.7 Ų46.70%024%0.238CC..EExtended strand (participates in β ladder)trans-71.2137.8166.400000109.4A409 A410 M412 L423 F426 W427A361-A409 CarbonylContact O-C 3.48Å; A361-A409 VanDerWaalsContact O-CA 3.25Å; A361-A409 WeakPolarHBondContact O-CA 3.46Å; A361-A410 PolarHBondContact N-O 2.86Å; A361-A410 PolarHBondContact O-N 2.92Å; A361-M412 HydrophobicContact CB-CG 3.9Å; A361-M412 HydrophobicContact CB-SD 3.7Å; A361-L423 HydrophobicContact CB-CD2 3.82Å; A361-F426 HydrophobicContact CB-CD1 3.81Å; A361-F426 HydrophobicContact CB-CE1 3.51Å; A361-F426 HydrophobicContact CB-CZ 4.28Å; A361-W427 HydrophobicContact CB-CZ2 4.02Å
362F96.6Very high92.1Very high0 Ų045.7 Ų45.70%023%0.231CC..EExtended strand (participates in β ladder)trans-131.3153.3172.372.3-97.4000112.6L328 L352 V364 P376 N378 S379 C381 V387 I389 M408L328-F362 HydrophobicContact CD1-CB 4.28Å; L352-F362 HydrophobicContact CD1-CB 3.9Å; L352-F362 HydrophobicContact CD1-CD1 3.79Å; L352-F362 HydrophobicContact CD1-CD2 3.55Å; L352-F362 HydrophobicContact CD1-CE1 4.14Å; L352-F362 HydrophobicContact CD1-CE2 3.95Å; L352-F362 HydrophobicContact CD1-CG 3.46Å; L352-F362 VanDerWaalsContact CD1-CG 3.46Å; L352-F362 HydrophobicContact CD1-CZ 4.2Å; F362-V364 HydrophobicContact CD2-CG2 4.3Å; F362-P376 HydrophobicContact CE2-CG 4.19Å; F362-P376 HydrophobicContact CZ-CG 3.83Å; F362-N378 WeakPolarHBondContact O-CA 3.49Å; F362-S379 WeakPolarHBondContact CD1-O 3.23Å; F362-S379 PolarHBondContact N-O 3.2Å; F362-S379 PolarHBondContact O-N 2.75Å; F362-S379 VanDerWaalsContact O-N 3.11Å; F362-S379 VanDerWaalsContact O-O 3.12Å; F362-C381 HydrophobicContact CD1-CB 4.25Å; F362-C381 HydrophobicContact CE1-CB 4.34Å; F362-V387 HydrophobicContact CE1-CB 4.17Å; F362-V387 HydrophobicContact CE1-CG1 3.92Å; F362-V387 HydrophobicContact CE1-CG2 4.34Å; F362-V387 HydrophobicContact CZ-CB 4.39Å; F362-V387 HydrophobicContact CZ-CG1 3.7Å; F362-I389 HydrophobicContact CD2-CD1 3.91Å; F362-I389 HydrophobicContact CE2-CD1 3.36Å; F362-I389 HydrophobicContact CE2-CG1 4.09Å; F362-I389 HydrophobicContact CZ-CD1 3.94Å; F362-I389 HydrophobicContact CZ-CG1 4.3Å; F362-M408 CarbonylContact C-O 3.57Å; F362-M408 WeakPolarHBondContact CA-O 3.4Å
363K95.8Very high91.8Very high62 Ų6251.1 Ų51.127%0.2725%0.251SS..EExtended strand (participates in β ladder)trans-143.2127.6176.8-173.6168-168.6153.90110.5S377 N378 M408 W427K363-S377 CarbonylContact C-O 3.58Å; K363-S377 WeakPolarHBondContact CA-O 3.28Å; K363-N378 HydrophobicContact CG-CB 4.41Å; K363-M408 HydrophobicContact CB-CB 4.41Å; K363-M408 PolarHBondContact N-O 2.83Å; K363-M408 PolarHBondContact O-N 3.19Å; K363-W427 HydrophobicContact CB-CZ2 3.83Å
364V95.9Very high91.7Very high8 Ų850.1 Ų50.15%0.04825%0.245CC..EExtended strand (participates in β ladder)trans-108.2125.8178.6-172.80000109.6F362 V374 S377 I389 F405 L406 I407F362-V364 HydrophobicContact CD2-CG2 4.3Å; V364-V374 HydrophobicContact CB-CG1 3.97Å; V364-V374 HydrophobicContact CG1-CG1 3.91Å; V364-S377 PolarHBondContact N-O 2.84Å; V364-I389 HydrophobicContact CG2-CD1 3.69Å; V364-F405 HydrophobicContact CG1-CD1 4.2Å; V364-L406 CarbonylContact C-O 3.6Å; V364-L406 WeakPolarHBondContact CA-O 3.38Å; V364-I407 HydrophobicContact CG1-CG1 4.4Å; V364-I407 HydrophobicContact CG2-CG1 4.07Å
365R92.8Very high91.5Very high131 Ų13156.3 Ų56.349%0.49427%0.272SS..EExtended strand (participates in β ladder)trans-118.5159173.8-53.6-169.7-167.2-152.25.7109.9F405 L406R365-F405 CarbonylContact O-C 3.57Å; R365-F405 VanDerWaalsContact O-CA 3.28Å; R365-F405 WeakPolarHBondContact O-CA 3.36Å; R365-L406 PolarHBondContact N-O 2.93Å; R365-L406 PolarHBondContact O-N 3.44Å
366T90.9Very high91.5Very high27 Ų2755.3 Ų55.317%0.16627%0.267CS..EExtended strand (participates in β ladder)trans-130.4154.3173.1175.20000110.1A368 P369 R404 F405T366-A368 PolarHBondContact OG1-N 2.79Å; T366-P369 HydrophobicContact CG2-CB 4.13Å; T366-R404 CarbonylContact C-O 3.51Å; T366-R404 VanDerWaalsContact CA-O 3.27Å; T366-R404 WeakPolarHBondContact CA-O 3.36Å; T366-R404 PolarHBondContact OG1-O 3.26Å; T366-F405 HydrophobicContact CG2-CE1 4.29Å
367T88.8Confident91.5Very high95 Ų9557 Ų5758%0.58328%0.279SS*.SBendtrans-74.6-11.3171.953.70000113.6R404T367-R404 HydrophobicContact CG2-CB 3.9Å; T367-R404 PolarHBondContact N-O 3.24Å; T367-R404 PolarHBondContact OG1-N 2.76Å
368A86.9Confident91.6Very high1 Ų150.4 Ų50.41%0.00825%0.253CS..  trans-133.565.1-179.300000111.2T366 E370 K371 Y372 D403T366-A368 PolarHBondContact OG1-N 2.79Å; A368-E370 VanDerWaalsContact C-OE2 3.3Å; A368-E370 WeakPolarHBondContact CA-OE1 3.34Å; A368-E370 WeakPolarHBondContact CB-OE1 3.38Å; A368-E370 PolarHBondContact O-N 2.71Å; A368-E370 VanDerWaalsContact O-N 3.16Å; A368-K371 HydrophobicContact CB-CB 4.09Å; A368-K371 HydrophobicContact CB-CD 3.67Å; A368-K371 HydrophobicContact CB-CG 3.96Å; A368-K371 PolarHBondContact O-N 3.33Å; A368-Y372 HydrophobicContact CB-CD2 4.13Å; A368-Y372 HydrophobicContact CB-CE2 4Å; A368-Y372 WeakPolarHBondContact O-CD2 3.42Å; A368-Y372 PolarHBondContact O-N 2.84Å; A368-D403 WeakPolarHBondContact CB-OD1 3.4Å
369P85.8Confident91.7Very high90 Ų9050.2 Ų50.258%0.58426%0.255SS*.THydrogen-bonded Turntrans-60.8-22.6-175.426.7-36.1000114.2T366T366-P369 HydrophobicContact CG2-CB 4.13Å
370E82.7Confident91.7Very high106 Ų10649.7 Ų49.750%0.49525%0.253SS..THydrogen-bonded Turntrans-71-29.8172.370.8-64.1153.300113.4A368A368-E370 VanDerWaalsContact C-OE2 3.3Å; A368-E370 WeakPolarHBondContact CA-OE1 3.34Å; A368-E370 WeakPolarHBondContact CB-OE1 3.38Å; A368-E370 PolarHBondContact O-N 2.71Å; A368-E370 VanDerWaalsContact O-N 3.16Å
371K84.1Confident91.6Very high48 Ų4849.7 Ų49.721%0.20925%0.254CS..THydrogen-bonded Turntrans-87.6-28.1-179.1-60.9179.6-152.1167.20113.7A368 P393 H394 L397 D403A368-K371 HydrophobicContact CB-CB 4.09Å; A368-K371 HydrophobicContact CB-CD 3.67Å; A368-K371 HydrophobicContact CB-CG 3.96Å; A368-K371 PolarHBondContact O-N 3.33Å; K371-P393 CarbonylContact O-C 3.47Å; K371-P393 VanDerWaalsContact O-CA 3.29Å; K371-P393 WeakPolarHBondContact O-CA 3.39Å; K371-H394 PolarHBondContact O-N 2.91Å; K371-L397 HydrophobicContact CG-CB 4.32Å; K371-L397 HydrophobicContact CG-CD1 4.19Å; K371-D403 IonicContact NZ-OD1 2.58Å; K371-D403 PolarHBondContact NZ-OD1 2.89Å; K371-D403 IonicContact NZ-OD2 2.85Å; K371-D403 PolarHBondContact NZ-OD2 2.76Å
372Y88.9Confident91.5Very high10 Ų1053.7 Ų53.74%0.03928%0.275CS..EExtended strand (participates in β ladder)trans-125.6132.9-170.6-56.1-85.9000113.6F338 A368 V391 V399 D403 F405 C442F338-Y372 HydrophobicContact CE1-CD1 4.05Å; F338-Y372 AromaticContact CE1-CE1 3.93Å; F338-Y372 HydrophobicContact CE1-CE1 3.93Å; F338-Y372 HydrophobicContact CE2-CE1 4.22Å; F338-Y372 HydrophobicContact CZ-CD1 4Å; F338-Y372 AromaticContact CZ-CE1 3.71Å; F338-Y372 HydrophobicContact CZ-CE1 3.71Å; A368-Y372 HydrophobicContact CB-CD2 4.13Å; A368-Y372 HydrophobicContact CB-CE2 4Å; A368-Y372 WeakPolarHBondContact O-CD2 3.42Å; A368-Y372 PolarHBondContact O-N 2.84Å; Y372-V391 HydrophobicContact CD1-CG1 4.23Å; Y372-V399 HydrophobicContact CE1-CG1 4.47Å; Y372-V399 HydrophobicContact CE1-CG2 4.07Å; Y372-V399 WeakPolarHBondContact OH-CA 3.3Å; Y372-V399 WeakPolarHBondContact OH-CG1 3.15Å; Y372-D403 HydrophobicContact CE2-CB 3.67Å; Y372-D403 VanDerWaalsContact CE2-OD2 3.28Å; Y372-D403 WeakPolarHBondContact CE2-OD2 3.29Å; Y372-D403 PolarHBondContact OH-OD2 3.24Å; Y372-F405 HydrophobicContact CD1-CE2 4.38Å; Y372-F405 AromaticContact CD1-CZ 3.75Å; Y372-F405 HydrophobicContact CD1-CZ 3.75Å; Y372-F405 HydrophobicContact CD2-CE2 4.42Å; Y372-F405 AromaticContact CD2-CZ 3.85Å; Y372-F405 HydrophobicContact CD2-CZ 3.85Å; Y372-F405 HydrophobicContact CE1-CE2 4.46Å; Y372-F405 HydrophobicContact CE1-CZ 4.27Å; Y372-F405 HydrophobicContact CE2-CZ 4.39Å; Y372-F405 HydrophobicContact CG-CE1 4.35Å; Y372-F405 HydrophobicContact CG-CE2 4.36Å; Y372-F405 AromaticContact CG-CZ 3.53Å; Y372-F405 HydrophobicContact CG-CZ 3.53Å; Y372-C442 PolarHBondContact OH-SG 2.71Å
373R89.6Confident91.4Very high113 Ų11356.8 Ų56.843%0.42630%0.295SS..EExtended strand (participates in β ladder)trans-98.2122.6168-175.6176.5-60.3-95-4.9109K375 V391 S392 H394R373-K375 HydrophobicContact CG-CG 4.45Å; R373-V391 WeakPolarHBondContact O-CA 3.45Å; R373-S392 PolarHBondContact N-O 3.5Å; R373-S392 PolarHBondContact O-N 3.28Å; R373-H394 PolarHBondContact NH2-CE1 3.35Å; R373-H394 PolarHBondContact NH2-ND1 2.74Å; R373-H394 PolarHBondContact NH2-NE2 3.46Å
374V93.3Very high91.2Very high19 Ų1956.7 Ų56.712%0.11531%0.312CS..EExtended strand (participates in β ladder)trans-113.2127.8179.2-176.20000109V364 I389 V391 F405V364-V374 HydrophobicContact CB-CG1 3.97Å; V364-V374 HydrophobicContact CG1-CG1 3.91Å; V374-I389 HydrophobicContact CG1-CG2 3.54Å; V374-V391 HydrophobicContact CG1-CG2 4.33Å; V374-V391 HydrophobicContact CG2-CG1 4.37Å; V374-V391 HydrophobicContact CG2-CG2 4.33Å; V374-F405 HydrophobicContact CG2-CD1 4.22Å; V374-F405 HydrophobicContact CG2-CE1 3.65Å
375K92.6Very high91Very high132 Ų13258 Ų5857%0.57432%0.323SS*.EExtended strand (participates in β ladder)trans-141.8121.4-178.8-76-172.5169.3-171.30112.1R373 I389 V390R373-K375 HydrophobicContact CG-CG 4.45Å; K375-I389 CarbonylContact O-C 3.6Å; K375-I389 WeakPolarHBondContact O-CA 3.31Å; K375-V390 PolarHBondContact N-O 3.48Å; K375-V390 PolarHBondContact O-N 3.36Å
376P94.2Very high91Very high46 Ų4655.1 Ų55.130%0.29932%0.323SS..SBendcis-69.1146.8-15.430.2-35.9000112F362 V387 D388 I389F362-P376 HydrophobicContact CE2-CG 4.19Å; F362-P376 HydrophobicContact CZ-CG 3.83Å; P376-V387 HydrophobicContact CG-CG1 4.15Å; P376-D388 WeakPolarHBondContact CD-O 3.25Å; P376-I389 HydrophobicContact CG-CG1 4.18Å; P376-I389 WeakPolarHBondContact O-CG2 3.47Å
377S92.4Very high91.1Very high57 Ų5755.3 Ų55.340%0.39933%0.325SS..SBendtrans-97.5-12.2174.359.20000113.8K363 V364K363-S377 CarbonylContact C-O 3.58Å; K363-S377 WeakPolarHBondContact CA-O 3.28Å; V364-S377 PolarHBondContact N-O 2.84Å
378N93.2Very high91.3Very high45 Ų4555.2 Ų55.224%0.24132%0.32CS..EExtended strand (participates in β ladder)trans-157.7117.4177.3-178.594.4000108.6F362 K363 W427F362-N378 WeakPolarHBondContact O-CA 3.49Å; K363-N378 HydrophobicContact CG-CB 4.41Å; N378-W427 PolarHBondContact OD1-NE1 3.25Å; N378-W427 VanDerWaalsContact OD1-NE1 3.1Å
379S95Very high91.6Very high37 Ų3755.2 Ų55.226%0.25932%0.32SS..EExtended strand (participates in β ladder)trans-161.6180-178.2-168.30000110F362F362-S379 WeakPolarHBondContact CD1-O 3.23Å; F362-S379 PolarHBondContact N-O 3.2Å; F362-S379 PolarHBondContact O-N 2.75Å; F362-S379 VanDerWaalsContact O-N 3.11Å; F362-S379 VanDerWaalsContact O-O 3.12Å
380S93.9Very high91.9Very high16 Ų1653.7 Ų53.711%0.11231%0.309CS..EExtended strand (participates in β ladder)trans-101.516716458.30000112.3V360 T418V360-S380 CarbonylContact O-C 3.58Å; V360-S380 WeakPolarHBondContact O-CA 3.5Å; S380-T418 WeakPolarHBondContact OG-CB 3.14Å; S380-T418 VanDerWaalsContact OG-CG2 3.32Å; S380-T418 WeakPolarHBondContact OG-CG2 3.41Å
381C94.4Very high92.3Very high1 Ų148.7 Ų48.71%0.00729%0.286CS..EExtended strand (participates in β ladder)trans-138123.5172.1-177.30000109.3N354 V360 F362 A385 V387N354-C381 HydrophobicContact CB-CB 4.38Å; N354-C381 PolarHBondContact ND2-O 3.04Å; V360-C381 PolarHBondContact N-O 2.84Å; V360-C381 PolarHBondContact O-N 2.93Å; F362-C381 HydrophobicContact CD1-CB 4.25Å; F362-C381 HydrophobicContact CE1-CB 4.34Å; C381-A385 PolarHBondContact SG-O 3.48Å; C381-A385 VanDerWaalsContact SG-O 3.36Å; C381-V387 HydrophobicContact CB-CG2 3.9Å
382D93.8Very high92.5Very high84 Ų8447.6 Ų47.645%0.44928%0.284SS..  trans-71.8158.5-176.1-63.2-66.8000113.2N354 G384 A385N354-D382 VanDerWaalsContact CB-O 3.29Å; N354-D382 WeakPolarHBondContact CB-O 3.43Å; N354-D382 VanDerWaalsContact ND2-C 3.33Å; N354-D382 PolarHBondContact ND2-O 3.49Å; D382-G384 PolarHBondContact O-N 2.98Å; D382-A385 HydrophobicContact CB-CB 4.06Å; D382-A385 WeakPolarHBondContact O-CB 3.49Å; D382-A385 PolarHBondContact O-N 2.99Å
383P94.5Very high92.3Very high64 Ų6448.5 Ų48.542%0.41629%0.291SS..THydrogen-bonded Turntrans-52.5124.2179.4-25.733.3000112.8K357 A385K357-P383 WeakPolarHBondContact O-CG 3.44Å; P383-A385 PolarHBondContact O-N 3.45Å
384G90.8Very high91.5Very high61 Ų6147.3 Ų47.363%0.62929%0.29SS*.THydrogen-bonded Turntrans72.2-2.2-179.100000115.8N354 D382N354-G384 VanDerWaalsContact O-CA 3.23Å; N354-G384 WeakPolarHBondContact O-CA 3.5Å; N354-G384 PolarHBondContact O-N 3.31Å; N354-G384 VanDerWaalsContact O-N 3.15Å; D382-G384 PolarHBondContact O-N 2.98Å
385A92.6Very high90Very high34 Ų3449.7 Ų49.728%0.28132%0.319SS..  trans-82.3163.3178.100000112.2T353 N354 C381 D382 P383T353-A385 WeakPolarHBondContact CA-O 3.45Å; N354-A385 PolarHBondContact N-O 3.02Å; C381-A385 PolarHBondContact SG-O 3.48Å; C381-A385 VanDerWaalsContact SG-O 3.36Å; D382-A385 HydrophobicContact CB-CB 4.06Å; D382-A385 WeakPolarHBondContact O-CB 3.49Å; D382-A385 PolarHBondContact O-N 2.99Å; P383-A385 PolarHBondContact O-N 3.45Å
386S93.8Very high88.3Confident72 Ų7246.7 Ų46.750%0.50333%0.326SS..EExtended strand (participates in β ladder)trans-117.8144.4169.9-56.50000110.8L352 T353L352-S386 CarbonylContact O-C 3.5Å; L352-S386 WeakPolarHBondContact O-CA 3.47Å; T353-S386 WeakPolarHBondContact CG2-OG 3.48Å; T353-S386 PolarHBondContact OG1-OG 3.47Å
387V92.4Very high86.7Confident31 Ų3148.4 Ų48.419%0.18833%0.332CS..EExtended strand (participates in β ladder)trans-126.2126.2175.8176.70000110.1L352 F362 P376 C381L352-V387 PolarHBondContact N-O 3.37Å; L352-V387 PolarHBondContact O-N 2.92Å; F362-V387 HydrophobicContact CE1-CB 4.17Å; F362-V387 HydrophobicContact CE1-CG1 3.92Å; F362-V387 HydrophobicContact CE1-CG2 4.34Å; F362-V387 HydrophobicContact CZ-CB 4.39Å; F362-V387 HydrophobicContact CZ-CG1 3.7Å; P376-V387 HydrophobicContact CG-CG1 4.15Å; C381-V387 HydrophobicContact CB-CG2 3.9Å
388D92Very high85.4Confident93 Ų9351.2 Ų51.250%0.49735%0.347SS..EExtended strand (participates in β ladder)trans-88.4125.3178.3-83.37.9000111L349 P376L349-D388 HydrophobicContact CD1-CB 3.99Å; P376-D388 WeakPolarHBondContact CD-O 3.25Å
389I94.5Very high84.4Confident0 Ų050.4 Ų50.40%034%0.343CS..EExtended strand (participates in β ladder)trans-116.8112.5178.9-58.7175.1000108.9I350 L352 F362 V364 V374 K375 P376 V391I350-I389 HydrophobicContact CB-CB 4.15Å; I350-I389 PolarHBondContact N-O 2.94Å; I350-I389 PolarHBondContact O-N 3.34Å; L352-I389 HydrophobicContact CD1-CD1 3.47Å; L352-I389 VanDerWaalsContact CD1-CD1 3.47Å; L352-I389 HydrophobicContact CG-CD1 3.82Å; F362-I389 HydrophobicContact CD2-CD1 3.91Å; F362-I389 HydrophobicContact CE2-CD1 3.36Å; F362-I389 HydrophobicContact CE2-CG1 4.09Å; F362-I389 HydrophobicContact CZ-CD1 3.94Å; F362-I389 HydrophobicContact CZ-CG1 4.3Å; V364-I389 HydrophobicContact CG2-CD1 3.69Å; V374-I389 HydrophobicContact CG1-CG2 3.54Å; K375-I389 CarbonylContact O-C 3.6Å; K375-I389 WeakPolarHBondContact O-CA 3.31Å; P376-I389 HydrophobicContact CG-CG1 4.18Å; P376-I389 WeakPolarHBondContact O-CG2 3.47Å; I389-V391 HydrophobicContact CG2-CG2 4.41Å
390V91.7Very high83.4Confident59 Ų5950.3 Ų50.336%0.35834%0.343SS..EExtended strand (participates in β ladder)trans-84.9125.4176.6-1770000109.3K347 L349 K375K347-V390 HydrophobicContact CB-CG1 4.42Å; K347-V390 HydrophobicContact CD-CG1 4.04Å; L349-V390 HydrophobicContact CD1-CG2 4.14Å; K375-V390 PolarHBondContact N-O 3.48Å; K375-V390 PolarHBondContact O-N 3.36Å
391V91.4Very high82.5Confident0 Ų052.6 Ų52.60%036%0.363CS..EExtended strand (participates in β ladder)trans-112.7124.5172.5-175.50000108.6F338 K347 T348 I350 Y372 R373 V374 I389 F405F338-V391 HydrophobicContact CE1-CB 4.48Å; F338-V391 HydrophobicContact CE1-CG1 3.9Å; F338-V391 HydrophobicContact CZ-CG1 3.8Å; K347-V391 WeakPolarHBondContact CA-O 3.2Å; T348-V391 HydrophobicContact CG2-CB 3.83Å; T348-V391 HydrophobicContact CG2-CG1 4.42Å; T348-V391 PolarHBondContact N-O 2.97Å; T348-V391 PolarHBondContact O-N 2.97Å; I350-V391 HydrophobicContact CD1-CG2 3.8Å; I350-V391 HydrophobicContact CG1-CG2 4.44Å; Y372-V391 HydrophobicContact CD1-CG1 4.23Å; R373-V391 WeakPolarHBondContact O-CA 3.45Å; V374-V391 HydrophobicContact CG1-CG2 4.33Å; V374-V391 HydrophobicContact CG2-CG1 4.37Å; V374-V391 HydrophobicContact CG2-CG2 4.33Å; I389-V391 HydrophobicContact CG2-CG2 4.41Å; V391-F405 HydrophobicContact CG1-CE1 3.61Å; V391-F405 HydrophobicContact CG1-CE2 4.27Å; V391-F405 HydrophobicContact CG1-CZ 3.41Å; V391-F405 VanDerWaalsContact CG1-CZ 3.41Å; V391-F405 HydrophobicContact CG2-CE1 4.42Å
392S88.1Confident81.7Confident25 Ų2560.4 Ų60.418%0.17540%0.399CS..EExtended strand (participates in β ladder)trans-137133.5-177.463.60000111.6R373R373-S392 PolarHBondContact N-O 3.5Å; R373-S392 PolarHBondContact O-N 3.28Å
393P83.4Confident81.5Confident29 Ų2956.8 Ų56.819%0.18838%0.38CS..EExtended strand (participates in β ladder)trans-57.2146.2170.3-25.335.7000112.2F338 K346 K371 V399F338-P393 HydrophobicContact CD1-CG 3.95Å; F338-P393 HydrophobicContact CE1-CG 4.32Å; K346-P393 HydrophobicContact CB-CG 4.11Å; K346-P393 WeakPolarHBondContact O-CD 3.34Å; K371-P393 CarbonylContact O-C 3.47Å; K371-P393 VanDerWaalsContact O-CA 3.29Å; K371-P393 WeakPolarHBondContact O-CA 3.39Å; P393-V399 HydrophobicContact CB-CG2 4.5Å; P393-V399 HydrophobicContact CG-CG2 3.68Å
394H73.7Confident81.2Confident88 Ų8858.6 Ų58.641%0.40738%0.378SS..  trans-116.4151.1-178.6-170.541.5000110.7K371 R373 G396 L397K371-H394 PolarHBondContact O-N 2.91Å; R373-H394 PolarHBondContact NH2-CE1 3.35Å; R373-H394 PolarHBondContact NH2-ND1 2.74Å; R373-H394 PolarHBondContact NH2-NE2 3.46Å; H394-G396 PolarHBondContact O-N 3.25Å; H394-L397 PolarHBondContact O-N 3.15Å
395G61.9Low81.4Confident69 Ų6955.8 Ų55.871%0.71135%0.349SS*.THydrogen-bonded Turntrans64.911.9171.800000116.9L397G395-L397 PolarHBondContact O-N 2.83Å
396G56.8Low81.5Confident70 Ų7055.7 Ų55.772%0.72234%0.343SS*.THydrogen-bonded Turntrans76.23.3-175.200000114.6H394H394-G396 PolarHBondContact O-N 3.25Å
397L59.7Low81.6Confident81 Ų8152.3 Ų52.342%0.42432%0.319SS..PPolyproline II helixtrans-60.4146.6178.1-71.8156.3000111.7K371 H394 G395K371-L397 HydrophobicContact CG-CB 4.32Å; K371-L397 HydrophobicContact CG-CD1 4.19Å; H394-L397 PolarHBondContact O-N 3.15Å; G395-L397 PolarHBondContact O-N 2.83Å
398T66.8Low81.8Confident116 Ų11652 Ų5271%0.71232%0.317SS*.PPolyproline II helixtrans-78.4141.8178.445.60000111.6
399V70.7Confident82.1Confident28 Ų2847.6 Ų47.617%0.1729%0.293CS..PPolyproline II helixtrans-73.1124.6172.9174.10000108.3F338 Y372 P393 C442 T444F338-V399 HydrophobicContact CB-CB 4.45Å; F338-V399 HydrophobicContact CB-CG1 4.2Å; F338-V399 HydrophobicContact CB-CG2 3.85Å; F338-V399 HydrophobicContact CD1-CG2 4.12Å; F338-V399 HydrophobicContact CD2-CG1 3.64Å; F338-V399 HydrophobicContact CD2-CG2 4.28Å; F338-V399 HydrophobicContact CE2-CG1 4.22Å; F338-V399 HydrophobicContact CG-CG1 4.02Å; F338-V399 HydrophobicContact CG-CG2 3.84Å; Y372-V399 HydrophobicContact CE1-CG1 4.47Å; Y372-V399 HydrophobicContact CE1-CG2 4.07Å; Y372-V399 WeakPolarHBondContact OH-CA 3.3Å; Y372-V399 WeakPolarHBondContact OH-CG1 3.15Å; P393-V399 HydrophobicContact CB-CG2 4.5Å; P393-V399 HydrophobicContact CG-CG2 3.68Å; V399-C442 HydrophobicContact CG1-CB 3.99Å; V399-T444 PolarHBondContact O-OG1 2.8Å
400S75.6Confident82.1Confident36 Ų3647.6 Ų47.625%0.25229%0.293SS..PPolyproline II helixtrans-101.3135.9173.8177.90000110.5Q402 D403 C442S400-Q402 PolarHBondContact O-N 3.46Å; S400-Q402 VanDerWaalsContact O-N 3.09Å; S400-Q402 WeakPolarHBondContact OG-CB 3.49Å; S400-Q402 PolarHBondContact OG-N 3.2Å; S400-D403 WeakPolarHBondContact CB-OD2 3.35Å; S400-D403 PolarHBondContact N-OD2 2.9Å; S400-D403 VanDerWaalsContact N-OD2 3.17Å; S400-D403 WeakPolarHBondContact O-CB 3.46Å; S400-D403 PolarHBondContact O-N 2.79Å; S400-C442 VanDerWaalsContact O-CB 3.23Å; S400-C442 WeakPolarHBondContact O-CB 3.49Å
401A74.8Confident82.3Confident64 Ų6448.9 Ų48.953%0.52930%0.295SS..THydrogen-bonded Turntrans-62.7-11.7171.300000113.5C442A401-C442 WeakPolarHBondContact CA-O 3.38Å
402Q77.4Confident82.2Confident164 Ų16449 Ų4977%0.76630%0.296SS*.THydrogen-bonded Turntrans-81.7-18.4172.8-58.8178.81.300112.8S400S400-Q402 PolarHBondContact O-N 3.46Å; S400-Q402 VanDerWaalsContact O-N 3.09Å; S400-Q402 WeakPolarHBondContact OG-CB 3.49Å; S400-Q402 PolarHBondContact OG-N 3.2Å
403D88.1Confident81.9Confident9 Ų955 Ų555%0.04832%0.321CS..  trans-71.6139-178.9-59.9-38.6000110.6A368 K371 Y372 S400 C442A368-D403 WeakPolarHBondContact CB-OD1 3.4Å; K371-D403 IonicContact NZ-OD1 2.58Å; K371-D403 PolarHBondContact NZ-OD1 2.89Å; K371-D403 IonicContact NZ-OD2 2.85Å; K371-D403 PolarHBondContact NZ-OD2 2.76Å; Y372-D403 HydrophobicContact CE2-CB 3.67Å; Y372-D403 VanDerWaalsContact CE2-OD2 3.28Å; Y372-D403 WeakPolarHBondContact CE2-OD2 3.29Å; Y372-D403 PolarHBondContact OH-OD2 3.24Å; S400-D403 WeakPolarHBondContact CB-OD2 3.35Å; S400-D403 PolarHBondContact N-OD2 2.9Å; S400-D403 VanDerWaalsContact N-OD2 3.17Å; S400-D403 WeakPolarHBondContact O-CB 3.46Å; S400-D403 PolarHBondContact O-N 2.79Å; D403-C442 HydrophobicContact CB-CB 4.35Å; D403-C442 PolarHBondContact O-N 2.79Å
404R89.7Confident81.1Confident102 Ų10260.8 Ų60.839%0.38535%0.345SS..EExtended strand (participates in β ladder)trans-127.6148.5-175-61.9-85.6-178.8137.10.9110.3T366 T367 L440T366-R404 CarbonylContact C-O 3.51Å; T366-R404 VanDerWaalsContact CA-O 3.27Å; T366-R404 WeakPolarHBondContact CA-O 3.36Å; T366-R404 PolarHBondContact OG1-O 3.26Å; T367-R404 HydrophobicContact CG2-CB 3.9Å; T367-R404 PolarHBondContact N-O 3.24Å; T367-R404 PolarHBondContact OG1-N 2.76Å; R404-L440 WeakPolarHBondContact CA-O 3.46Å
405F93.7Very high80.5Confident1 Ų162 Ų620%0.00436%0.364CS..EExtended strand (participates in β ladder)trans-114.7142.7168.8-67.9-99.1000110.3L336 F338 V364 R365 T366 Y372 V374 V391 R439 L440L336-F405 HydrophobicContact CD1-CB 4.46Å; L336-F405 HydrophobicContact CD1-CD2 3.51Å; L336-F405 HydrophobicContact CD1-CE2 3.83Å; L336-F405 HydrophobicContact CD1-CG 3.96Å; F338-F405 HydrophobicContact CZ-CE2 4.29Å; F338-F405 HydrophobicContact CZ-CZ 4.48Å; V364-F405 HydrophobicContact CG1-CD1 4.2Å; R365-F405 CarbonylContact O-C 3.57Å; R365-F405 VanDerWaalsContact O-CA 3.28Å; R365-F405 WeakPolarHBondContact O-CA 3.36Å; T366-F405 HydrophobicContact CG2-CE1 4.29Å; Y372-F405 HydrophobicContact CD1-CE2 4.38Å; Y372-F405 AromaticContact CD1-CZ 3.75Å; Y372-F405 HydrophobicContact CD1-CZ 3.75Å; Y372-F405 HydrophobicContact CD2-CE2 4.42Å; Y372-F405 AromaticContact CD2-CZ 3.85Å; Y372-F405 HydrophobicContact CD2-CZ 3.85Å; Y372-F405 HydrophobicContact CE1-CE2 4.46Å; Y372-F405 HydrophobicContact CE1-CZ 4.27Å; Y372-F405 HydrophobicContact CE2-CZ 4.39Å; Y372-F405 HydrophobicContact CG-CE1 4.35Å; Y372-F405 HydrophobicContact CG-CE2 4.36Å; Y372-F405 AromaticContact CG-CZ 3.53Å; Y372-F405 HydrophobicContact CG-CZ 3.53Å; V374-F405 HydrophobicContact CG2-CD1 4.22Å; V374-F405 HydrophobicContact CG2-CE1 3.65Å; V391-F405 HydrophobicContact CG1-CE1 3.61Å; V391-F405 HydrophobicContact CG1-CE2 4.27Å; V391-F405 HydrophobicContact CG1-CZ 3.41Å; V391-F405 VanDerWaalsContact CG1-CZ 3.41Å; V391-F405 HydrophobicContact CG2-CE1 4.42Å; F405-R439 CarbonylContact O-C 3.52Å; F405-R439 VanDerWaalsContact O-CA 3.31Å; F405-R439 WeakPolarHBondContact O-CA 3.11Å; F405-L440 HydrophobicContact CB-CB 4.32Å; F405-L440 PolarHBondContact N-O 3.2Å; F405-L440 PolarHBondContact O-N 3.16Å
406L95.7Very high80.7Confident33 Ų3360.9 Ų60.917%0.17335%0.345CS..EExtended strand (participates in β ladder)trans-120.7117.2175.8176.267.9000108.4V364 R365 M408 E437 H438 R439V364-L406 CarbonylContact C-O 3.6Å; V364-L406 WeakPolarHBondContact CA-O 3.38Å; R365-L406 PolarHBondContact N-O 2.93Å; R365-L406 PolarHBondContact O-N 3.44Å; L406-M408 HydrophobicContact CD2-CG 4.12Å; L406-M408 HydrophobicContact CD2-SD 4.39Å; L406-M408 HydrophobicContact CG-CG 4.07Å; L406-E437 HydrophobicContact CD1-CB 4.01Å; L406-E437 HydrophobicContact CD1-CG 4.17Å; L406-H438 WeakPolarHBondContact CA-O 3.4Å; L406-R439 HydrophobicContact CD1-CG 3.71Å
407I96.3Very high81.3Confident0 Ų059.3 Ų59.30%033%0.329CS..EExtended strand (participates in β ladder)trans-95.4119.7170.4-61158.3000106.6I330 I350 L352 V364 E437 H438 L440I330-I407 HydrophobicContact CD1-CB 4.32Å; I330-I407 HydrophobicContact CD1-CD1 4Å; I330-I407 HydrophobicContact CD1-CG2 3.99Å; I330-I407 HydrophobicContact CG2-CD1 3.64Å; I350-I407 HydrophobicContact CD1-CD1 4.5Å; I350-I407 HydrophobicContact CG2-CD1 3.92Å; L352-I407 HydrophobicContact CD1-CG2 4.43Å; L352-I407 HydrophobicContact CD2-CD1 4.13Å; L352-I407 HydrophobicContact CD2-CG2 4.07Å; V364-I407 HydrophobicContact CG1-CG1 4.4Å; V364-I407 HydrophobicContact CG2-CG1 4.07Å; I407-E437 CarbonylContact O-C 3.55Å; I407-E437 WeakPolarHBondContact O-CA 3.36Å; I407-H438 HydrophobicContact CB-CB 4.46Å; I407-H438 PolarHBondContact N-O 3.44Å; I407-H438 PolarHBondContact O-N 2.92Å; I407-L440 HydrophobicContact CD1-CD1 3.77Å; I407-L440 HydrophobicContact CD1-CG 4.23Å
408M96.6Very high82Confident26 Ų2658.8 Ų58.813%0.12833%0.329CS..EExtended strand (participates in β ladder)trans-104.7137.4171.2-55.1175.968.600107.8F362 K363 L406 W427 V435 M436F362-M408 CarbonylContact C-O 3.57Å; F362-M408 WeakPolarHBondContact CA-O 3.4Å; K363-M408 HydrophobicContact CB-CB 4.41Å; K363-M408 PolarHBondContact N-O 2.83Å; K363-M408 PolarHBondContact O-N 3.19Å; L406-M408 HydrophobicContact CD2-CG 4.12Å; L406-M408 HydrophobicContact CD2-SD 4.39Å; L406-M408 HydrophobicContact CG-CG 4.07Å; M408-W427 HydrophobicContact CB-CH2 4.04Å; M408-W427 HydrophobicContact CB-CZ3 4.4Å; M408-W427 HydrophobicContact CE-CZ3 4.48Å; M408-V435 HydrophobicContact CB-CG1 4.05Å; M408-V435 HydrophobicContact CE-CG1 3.93Å; M408-M436 CarbonylContact C-O 3.51Å; M408-M436 WeakPolarHBondContact CA-O 3.39Å
409A96.8Very high82.8Confident0 Ų054.3 Ų54.30%031%0.306CS..EExtended strand (participates in β ladder)trans-140.9142.817700000111.5L328 V360 A361 V435 M436L328-A409 HydrophobicContact CD1-CB 3.49Å; L328-A409 VanDerWaalsContact CD1-CB 3.49Å; L328-A409 HydrophobicContact CG-CB 4.03Å; V360-A409 HydrophobicContact CG1-CB 3.92Å; A361-A409 CarbonylContact O-C 3.48Å; A361-A409 VanDerWaalsContact O-CA 3.25Å; A361-A409 WeakPolarHBondContact O-CA 3.46Å; A409-V435 CarbonylContact O-C 3.32Å; A409-V435 WeakPolarHBondContact O-CA 3.38Å; A409-M436 HydrophobicContact CB-CB 4.35Å; A409-M436 PolarHBondContact N-O 3.24Å; A409-M436 PolarHBondContact O-N 2.92Å
410A96.2Very high83.4Confident0 Ų058.1 Ų58.10%033%0.331CS..EExtended strand (participates in β ladder)trans-150.6146.9174.800000111.1V360 A361 F426 W427 V430 V435V360-A410 CarbonylContact C-O 3.58Å; V360-A410 WeakPolarHBondContact CA-O 3.34Å; A361-A410 PolarHBondContact N-O 2.86Å; A361-A410 PolarHBondContact O-N 2.92Å; A410-F426 HydrophobicContact CB-CE1 3.87Å; A410-F426 HydrophobicContact CB-CZ 3.68Å; A410-W427 HydrophobicContact CB-CH2 4.26Å; A410-W427 HydrophobicContact CB-CZ3 4.29Å; A410-V430 HydrophobicContact CB-CG2 3.86Å; A410-V435 HydrophobicContact CB-CG2 4.32Å
411E94.5Very high83.8Confident85 Ų8559.7 Ų59.740%0.39735%0.347SS..EExtended strand (participates in β ladder)trans-75.9135.9-178.6-162.8173-166.900111.2L327 N358 F426L327-E411 HydrophobicContact CD2-CB 4.35Å; N358-E411 HydrophobicContact CB-CG 3.72Å; N358-E411 WeakPolarHBondContact CB-OE1 3.39Å; N358-E411 PolarHBondContact ND2-OE1 2.85Å; E411-F426 WeakPolarHBondContact O-CE2 3.42Å; E411-F426 WeakPolarHBondContact O-CZ 3.37Å
412M90.6Very high84.5Confident3 Ų360.9 Ų60.92%0.01534%0.341CS..  trans-106146.2178.3-60.8178.670.600110.5I359 A361 S416 L423 F426I359-M412 HydrophobicContact CB-CB 4.35Å; I359-M412 HydrophobicContact CG2-SD 3.97Å; I359-M412 WeakPolarHBondContact O-CB 3.44Å; I359-M412 PolarHBondContact O-N 3.05Å; A361-M412 HydrophobicContact CB-CG 3.9Å; A361-M412 HydrophobicContact CB-SD 3.7Å; M412-S416 WeakPolarHBondContact CE-OG 3.48Å; M412-L423 HydrophobicContact CE-CD2 4.22Å; M412-L423 HydrophobicContact SD-CD2 3.96Å; M412-F426 HydrophobicContact CB-CE2 4.38Å; M412-F426 HydrophobicContact CG-CD2 4.07Å; M412-F426 HydrophobicContact CG-CE1 4.31Å; M412-F426 HydrophobicContact CG-CE2 3.77Å; M412-F426 HydrophobicContact CG-CG 4.44Å; M412-F426 HydrophobicContact CG-CZ 3.9Å
413E81.4Confident85.1Confident151 Ų15153.2 Ų53.271%0.70631%0.306SS*.  trans-78142.7174.3-65.1-177.8-178.500111S415 S416E413-S415 PolarHBondContact O-N 2.79Å; E413-S416 PolarHBondContact O-N 2.95Å; E413-S416 PolarHBondContact O-OG 2.7Å
414Q66.5Low85.1Confident150 Ų15056.5 Ų56.570%0.70133%0.326SS*.THydrogen-bonded Turntrans-61.8-13.6-166.3-65-179300115.7N358N358-Q414 WeakPolarHBondContact OD1-CG 3.45Å; N358-Q414 PolarHBondContact OD1-NE2 3.09Å
415S61.7Low85.1Confident115 Ų11556.9 Ų56.980%0.80433%0.332SS*.THydrogen-bonded Turntrans-89.5-1.5177.851.60000114.2E413E413-S415 PolarHBondContact O-N 2.79Å
416S64.3Low85Confident45 Ų4558.4 Ų58.432%0.31534%0.339SS..SBendtrans-94.3136.5-177.358.80000112.9M412 E413M412-S416 WeakPolarHBondContact CE-OG 3.48Å; E413-S416 PolarHBondContact O-N 2.95Å; E413-S416 PolarHBondContact O-OG 2.7Å
417G70.1Confident84.9Confident37 Ų3758.9 Ų58.938%0.38134%0.338SS..  trans-69.8152.2176.300000112.4E422G417-E422 WeakPolarHBondContact O-CB 3.39Å
418T75.6Confident84.6Confident69 Ų6967 Ų6742%0.42337%0.373SS..  trans-969.8-177.650.70000114I359 S380I359-T418 HydrophobicContact CD1-CG2 4Å; I359-T418 HydrophobicContact CG2-CG2 4.15Å; S380-T418 WeakPolarHBondContact OG-CB 3.14Å; S380-T418 VanDerWaalsContact OG-CG2 3.32Å; S380-T418 WeakPolarHBondContact OG-CG2 3.41Å
419G82.8Confident84.3Confident23 Ų2371.9 Ų71.924%0.23740%0.396CS..SBendtrans-72.5167.3-177.400000114.1A421 E422 L423G419-A421 VanDerWaalsContact C-N 3.26Å; G419-A421 PolarHBondContact O-N 2.84Å; G419-E422 WeakPolarHBondContact CA-OE2 3.31Å; G419-E422 PolarHBondContact N-OE2 2.7Å; G419-E422 PolarHBondContact O-N 2.88Å; G419-L423 WeakPolarHBondContact O-CB 3.06Å; G419-L423 WeakPolarHBondContact O-CG 3.36Å; G419-L423 PolarHBondContact O-N 2.88Å
420P82.8Confident84.2Confident107 Ų10773.1 Ų73.170%0.69540%0.404SS*.Hα-helixtrans-63.3-28.2-177.6-24.135000114.4T424P420-T424 WeakPolarHBondContact O-CB 3.5Å; P420-T424 PolarHBondContact O-N 2.94Å; P420-T424 PolarHBondContact O-OG1 2.82Å
421A85.4Confident83.8Confident69 Ų6976.2 Ų76.257%0.5742%0.424SS*.Hα-helixtrans-75.1-45.7179.300000110.8G419 T424 Q425G419-A421 VanDerWaalsContact C-N 3.26Å; G419-A421 PolarHBondContact O-N 2.84Å; A421-T424 WeakPolarHBondContact O-CA 3.41Å; A421-T424 WeakPolarHBondContact O-CB 3.28Å; A421-T424 PolarHBondContact O-N 2.84Å; A421-T424 VanDerWaalsContact O-N 3.11Å; A421-Q425 PolarHBondContact O-N 3.1Å
422E88.1Confident83.4Confident89 Ų8983.3 Ų83.342%0.41645%0.447SS..Hα-helixtrans-63.2-46.9178.4-60.978.4-178.200110.7G417 G419 T424 Q425 F426G417-E422 WeakPolarHBondContact O-CB 3.39Å; G419-E422 WeakPolarHBondContact CA-OE2 3.31Å; G419-E422 PolarHBondContact N-OE2 2.7Å; G419-E422 PolarHBondContact O-N 2.88Å; E422-T424 VanDerWaalsContact C-N 3.26Å; E422-T424 PolarHBondContact O-N 2.81Å; E422-Q425 PolarHBondContact O-N 3.03Å; E422-Q425 VanDerWaalsContact O-N 3.16Å; E422-F426 WeakPolarHBondContact O-CB 3.38Å; E422-F426 PolarHBondContact O-N 2.95Å
423L89.9Confident83.3Confident4 Ų490.1 Ų90.12%0.02148%0.483CS..Hα-helixtrans-59.8-36.6172.2-71.2171.2000112A361 M412 G419 W427A361-L423 HydrophobicContact CB-CD2 3.82Å; M412-L423 HydrophobicContact CE-CD2 4.22Å; M412-L423 HydrophobicContact SD-CD2 3.96Å; G419-L423 WeakPolarHBondContact O-CB 3.06Å; G419-L423 WeakPolarHBondContact O-CG 3.36Å; G419-L423 PolarHBondContact O-N 2.88Å; L423-W427 PolarHBondContact O-N 2.79Å; L423-W427 VanDerWaalsContact O-N 3.1Å
424T88.1Confident83.7Confident77 Ų7789.4 Ų89.447%0.47248%0.478SS..Hα-helixtrans-69.8-33.2177.5-63.30000112.2P420 A421 E422 K428P420-T424 WeakPolarHBondContact O-CB 3.5Å; P420-T424 PolarHBondContact O-N 2.94Å; P420-T424 PolarHBondContact O-OG1 2.82Å; A421-T424 WeakPolarHBondContact O-CA 3.41Å; A421-T424 WeakPolarHBondContact O-CB 3.28Å; A421-T424 PolarHBondContact O-N 2.84Å; A421-T424 VanDerWaalsContact O-N 3.11Å; E422-T424 VanDerWaalsContact C-N 3.26Å; E422-T424 PolarHBondContact O-N 2.81Å; T424-K428 WeakPolarHBondContact O-CG 3.46Å
425Q89.5Confident85Confident111 Ų11183.6 Ų83.652%0.51945%0.452SS..Hα-helixtrans-72.6-49.5173-178.8169.8-800111.3A421 E422 W427 K428 E429A421-Q425 PolarHBondContact O-N 3.1Å; E422-Q425 PolarHBondContact O-N 3.03Å; E422-Q425 VanDerWaalsContact O-N 3.16Å; Q425-W427 VanDerWaalsContact C-N 3.31Å; Q425-W427 PolarHBondContact O-N 2.89Å; Q425-K428 WeakPolarHBondContact O-CA 3.33Å; Q425-K428 WeakPolarHBondContact O-CB 3.29Å; Q425-K428 PolarHBondContact O-N 3.26Å; Q425-E429 WeakPolarHBondContact CG-OE1 3.36Å; Q425-E429 PolarHBondContact NE2-OE1 3.47Å; Q425-E429 PolarHBondContact O-N 2.91Å
426F92.3Very high86.5Confident33 Ų3379 Ų7915%0.14542%0.419CS..Hα-helixtrans-51.1-47176.9173.5-95000112.5A361 A410 E411 M412 E422 K428 E429 V430A361-F426 HydrophobicContact CB-CD1 3.81Å; A361-F426 HydrophobicContact CB-CE1 3.51Å; A361-F426 HydrophobicContact CB-CZ 4.28Å; A410-F426 HydrophobicContact CB-CE1 3.87Å; A410-F426 HydrophobicContact CB-CZ 3.68Å; E411-F426 WeakPolarHBondContact O-CE2 3.42Å; E411-F426 WeakPolarHBondContact O-CZ 3.37Å; M412-F426 HydrophobicContact CB-CE2 4.38Å; M412-F426 HydrophobicContact CG-CD2 4.07Å; M412-F426 HydrophobicContact CG-CE1 4.31Å; M412-F426 HydrophobicContact CG-CE2 3.77Å; M412-F426 HydrophobicContact CG-CG 4.44Å; M412-F426 HydrophobicContact CG-CZ 3.9Å; E422-F426 WeakPolarHBondContact O-CB 3.38Å; E422-F426 PolarHBondContact O-N 2.95Å; F426-K428 PolarHBondContact O-N 3.11Å; F426-K428 VanDerWaalsContact O-N 3.15Å; F426-E429 PolarHBondContact O-N 3.15Å; F426-E429 VanDerWaalsContact O-N 3.11Å; F426-V430 HydrophobicContact CE1-CB 4.23Å; F426-V430 HydrophobicContact CE1-CG1 4.28Å; F426-V430 HydrophobicContact CE1-CG2 4.37Å; F426-V430 HydrophobicContact CE2-CB 4.38Å; F426-V430 HydrophobicContact CE2-CG2 4.43Å; F426-V430 HydrophobicContact CZ-CB 4.11Å; F426-V430 HydrophobicContact CZ-CG2 3.96Å; F426-V430 WeakPolarHBondContact O-CB 3.47Å; F426-V430 WeakPolarHBondContact O-CG1 3.28Å; F426-V430 PolarHBondContact O-N 3.46Å
427W92.6Very high87.9Confident43 Ų4381.1 Ų81.116%0.16342%0.424CS..Hα-helixtrans-67.8-10178.1-76.4122.1000115.2A361 K363 N378 M408 A410 L423 Q425 V430 V435A361-W427 HydrophobicContact CB-CZ2 4.02Å; K363-W427 HydrophobicContact CB-CZ2 3.83Å; N378-W427 PolarHBondContact OD1-NE1 3.25Å; N378-W427 VanDerWaalsContact OD1-NE1 3.1Å; M408-W427 HydrophobicContact CB-CH2 4.04Å; M408-W427 HydrophobicContact CB-CZ3 4.4Å; M408-W427 HydrophobicContact CE-CZ3 4.48Å; A410-W427 HydrophobicContact CB-CH2 4.26Å; A410-W427 HydrophobicContact CB-CZ3 4.29Å; L423-W427 PolarHBondContact O-N 2.79Å; L423-W427 VanDerWaalsContact O-N 3.1Å; Q425-W427 VanDerWaalsContact C-N 3.31Å; Q425-W427 PolarHBondContact O-N 2.89Å; W427-V430 HydrophobicContact CE3-CG1 3.72Å; W427-V430 HydrophobicContact CZ3-CG1 4.13Å; W427-V435 HydrophobicContact CZ3-CG1 4.08Å; W427-V435 HydrophobicContact CZ3-CG2 4.14Å
428K91.1Very high89Confident169 Ų16980.3 Ų80.374%0.73541%0.41SS*.Hα-helixtrans-89.5-32.8170-65.6170.8-177.71770112.3T424 Q425 F426T424-K428 WeakPolarHBondContact O-CG 3.46Å; Q425-K428 WeakPolarHBondContact O-CA 3.33Å; Q425-K428 WeakPolarHBondContact O-CB 3.29Å; Q425-K428 PolarHBondContact O-N 3.26Å; F426-K428 PolarHBondContact O-N 3.11Å; F426-K428 VanDerWaalsContact O-N 3.15Å
429E90.7Very high89.8Confident130 Ų13083.5 Ų83.561%0.60741%0.414SS*.Hα-helixtrans-92.6-28.7-172.4-67.3172-171.800112.7Q425 F426 P431Q425-E429 WeakPolarHBondContact CG-OE1 3.36Å; Q425-E429 PolarHBondContact NE2-OE1 3.47Å; Q425-E429 PolarHBondContact O-N 2.91Å; F426-E429 PolarHBondContact O-N 3.15Å; F426-E429 VanDerWaalsContact O-N 3.11Å; E429-P431 WeakPolarHBondContact O-CD 3.43Å
430V93.1Very high90.2Very high25 Ų2582.4 Ų82.415%0.15240%0.403CS..SBendtrans-63.3122.6-175.367.50000112.7A410 F426 W427 K434 V435A410-V430 HydrophobicContact CB-CG2 3.86Å; F426-V430 HydrophobicContact CE1-CB 4.23Å; F426-V430 HydrophobicContact CE1-CG1 4.28Å; F426-V430 HydrophobicContact CE1-CG2 4.37Å; F426-V430 HydrophobicContact CE2-CB 4.38Å; F426-V430 HydrophobicContact CE2-CG2 4.43Å; F426-V430 HydrophobicContact CZ-CB 4.11Å; F426-V430 HydrophobicContact CZ-CG2 3.96Å; F426-V430 WeakPolarHBondContact O-CB 3.47Å; F426-V430 WeakPolarHBondContact O-CG1 3.28Å; F426-V430 PolarHBondContact O-N 3.46Å; W427-V430 HydrophobicContact CE3-CG1 3.72Å; W427-V430 HydrophobicContact CZ3-CG1 4.13Å; V430-K434 HydrophobicContact CG2-CB 4.39Å; V430-V435 HydrophobicContact CG1-CG2 4.1Å; V430-V435 HydrophobicContact CG2-CG2 4.15Å
431P89.8Confident90.3Very high65 Ų6581 Ų8142%0.42238%0.383SS..  trans-62.3135.5175.6-26.336.6000112.2E429 N433 K434E429-P431 WeakPolarHBondContact O-CD 3.43Å; P431-N433 WeakPolarHBondContact CB-OD1 3.48Å; P431-N433 PolarHBondContact O-N 3.33Å; P431-N433 VanDerWaalsContact O-N 3.12Å; P431-K434 WeakPolarHBondContact O-CB 3.32Å; P431-K434 PolarHBondContact O-N 2.94Å
432R85.4Confident90.3Very high234 Ų23477.9 Ų77.988%0.88336%0.358SS*.G310 helixtrans-57.9-30.3-176-67.1-170.8-176.8-172.23.2114.2K434 V435R432-K434 PolarHBondContact O-N 3.4Å; R432-V435 PolarHBondContact O-N 2.9Å
433N87.9Confident89.3Confident146 Ų14677.5 Ų77.578%0.78136%0.356SS*.G310 helixtrans-73-11.8176.866-33.3000114P431P431-N433 WeakPolarHBondContact CB-OD1 3.48Å; P431-N433 PolarHBondContact O-N 3.33Å; P431-N433 VanDerWaalsContact O-N 3.12Å
434K90.3Very high87.9Confident137 Ų13779.7 Ų79.760%0.59637%0.369SS*.G310 helixtrans-94.3-0.3170.8-65.9-168.9174.9-172.20113.2V430 P431 R432V430-K434 HydrophobicContact CG2-CB 4.39Å; P431-K434 WeakPolarHBondContact O-CB 3.32Å; P431-K434 PolarHBondContact O-N 2.94Å; R432-K434 PolarHBondContact O-N 3.4Å
435V93.7Very high86.2Confident27 Ų2780.7 Ų80.716%0.16438%0.375CS..  trans-95.8115.9-179.7-176.10000109.8M408 A409 A410 W427 V430 R432M408-V435 HydrophobicContact CB-CG1 4.05Å; M408-V435 HydrophobicContact CE-CG1 3.93Å; A409-V435 CarbonylContact O-C 3.32Å; A409-V435 WeakPolarHBondContact O-CA 3.38Å; A410-V435 HydrophobicContact CB-CG2 4.32Å; W427-V435 HydrophobicContact CZ3-CG1 4.08Å; W427-V435 HydrophobicContact CZ3-CG2 4.14Å; V430-V435 HydrophobicContact CG1-CG2 4.1Å; V430-V435 HydrophobicContact CG2-CG2 4.15Å; R432-V435 PolarHBondContact O-N 2.9Å
436M92.5Very high83.9Confident19 Ų1983.2 Ų83.29%0.09439%0.387CS..EExtended strand (participates in β ladder)trans-71.2128165.8174.9-178.4130.100109.1F323 P326 L327 L328 I330 M408 A409F323-M436 HydrophobicContact CD1-CE 4.44Å; F323-M436 HydrophobicContact CE1-CE 3.86Å; P326-M436 HydrophobicContact CG-SD 4.21Å; L327-M436 HydrophobicContact CB-SD 3.97Å; L327-M436 HydrophobicContact CD1-CB 3.96Å; L327-M436 HydrophobicContact CG-CB 4.34Å; L327-M436 HydrophobicContact CG-SD 4.46Å; L328-M436 HydrophobicContact CB-CE 3.95Å; I330-M436 HydrophobicContact CD1-CE 3.6Å; I330-M436 HydrophobicContact CG1-CE 4.33Å; M408-M436 CarbonylContact C-O 3.51Å; M408-M436 WeakPolarHBondContact CA-O 3.39Å; A409-M436 HydrophobicContact CB-CB 4.35Å; A409-M436 PolarHBondContact N-O 3.24Å; A409-M436 PolarHBondContact O-N 2.92Å
437E94.4Very high81.2Confident90 Ų9087.6 Ų87.642%0.42142%0.422SS..EExtended strand (participates in β ladder)trans-113.2135.6171-73.7-165.8172.400110.7L406 I407 R439L406-E437 HydrophobicContact CD1-CB 4.01Å; L406-E437 HydrophobicContact CD1-CG 4.17Å; I407-E437 CarbonylContact O-C 3.55Å; I407-E437 WeakPolarHBondContact O-CA 3.36Å; E437-R439 IonicContact OE2-CZ 3.98Å; E437-R439 IonicContact OE2-NH1 3.33Å; E437-R439 PolarHBondContact OE2-NH1 2.95Å; E437-R439 IonicContact OE2-NH2 2.99Å; E437-R439 PolarHBondContact OE2-NH2 3.14Å
438H92.8Very high78.4Confident20 Ų2090.3 Ų90.39%0.09345%0.447CS..EExtended strand (participates in β ladder)trans-135.2139.1172.4-172.851.3000111.3F323 I330 A333 L406 I407 L440F323-H438 HydrophobicContact CD1-CB 4.48Å; F323-H438 AromaticContact CD1-CE1 3.98Å; F323-H438 AromaticContact CD1-CG 3.86Å; F323-H438 AromaticContact CD1-ND1 3.83Å; F323-H438 AromaticContact CD2-CE1 3.59Å; F323-H438 AromaticContact CD2-ND1 3.81Å; F323-H438 HydrophobicContact CE1-CB 4.29Å; F323-H438 AromaticContact CE1-ND1 3.91Å; F323-H438 AromaticContact CE2-ND1 3.9Å; F323-H438 AromaticContact CG-CE1 3.51Å; F323-H438 AromaticContact CG-ND1 3.78Å; F323-H438 AromaticContact CG-NE2 3.81Å; F323-H438 AromaticContact CZ-ND1 3.95Å; I330-H438 HydrophobicContact CD1-CB 3.61Å; A333-H438 PolarHBondContact O-CE1 2.92Å; A333-H438 PolarHBondContact O-NE2 3.44Å; L406-H438 WeakPolarHBondContact CA-O 3.4Å; I407-H438 HydrophobicContact CB-CB 4.46Å; I407-H438 PolarHBondContact N-O 3.44Å; I407-H438 PolarHBondContact O-N 2.92Å; H438-L440 WeakPolarHBondContact NE2-CD2 3.27Å
439R92.1Very high75.4Confident136 Ų13692 Ų9251%0.51346%0.455SS..EExtended strand (participates in β ladder)trans-118.5127.6-173.6-71.5179.3178.676.712.3111.6F405 L406 E437F405-R439 CarbonylContact O-C 3.52Å; F405-R439 VanDerWaalsContact O-CA 3.31Å; F405-R439 WeakPolarHBondContact O-CA 3.11Å; L406-R439 HydrophobicContact CD1-CG 3.71Å; E437-R439 IonicContact OE2-CZ 3.98Å; E437-R439 IonicContact OE2-NH1 3.33Å; E437-R439 PolarHBondContact OE2-NH1 2.95Å; E437-R439 IonicContact OE2-NH2 2.99Å; E437-R439 PolarHBondContact OE2-NH2 3.14Å
440L90.8Very high72.7Confident0 Ų091.3 Ų91.30%046%0.461CS..EExtended strand (participates in β ladder)trans-108.8147.7173.3-54.8176000110.7P332 A333 E334 L336 I350 R404 F405 I407 H438P332-L440 WeakPolarHBondContact O-CD2 3.35Å; A333-L440 WeakPolarHBondContact O-CD2 3.23Å; E334-L440 CarbonylContact O-C 3.58Å; E334-L440 VanDerWaalsContact O-CA 3.29Å; E334-L440 WeakPolarHBondContact O-CA 3.34Å; L336-L440 HydrophobicContact CD1-CB 4.37Å; L336-L440 HydrophobicContact CD1-CD1 4.26Å; L336-L440 HydrophobicContact CD2-CD1 4.05Å; L336-L440 HydrophobicContact CG-CB 4.22Å; L336-L440 HydrophobicContact CG-CD1 4.1Å; I350-L440 HydrophobicContact CD1-CD1 3.8Å; I350-L440 HydrophobicContact CG1-CD1 3.83Å; I350-L440 HydrophobicContact CG2-CD1 4.49Å; R404-L440 WeakPolarHBondContact CA-O 3.46Å; F405-L440 HydrophobicContact CB-CB 4.32Å; F405-L440 PolarHBondContact N-O 3.2Å; F405-L440 PolarHBondContact O-N 3.16Å; I407-L440 HydrophobicContact CD1-CD1 3.77Å; I407-L440 HydrophobicContact CD1-CG 4.23Å; H438-L440 WeakPolarHBondContact NE2-CD2 3.27Å
441R86.7Confident69.7Low76 Ų7698.1 Ų98.129%0.28750%0.497SS..EExtended strand (participates in β ladder)trans-104.1145.3176.2-56.2-175.9-68.3-92.22.3110.1E334 E335 L336E334-R441 PolarHBondContact O-N 3.01Å; E334-R441 IonicContact OE2-CZ 3.26Å; E334-R441 VanDerWaalsContact OE2-CZ 3.28Å; E334-R441 IonicContact OE2-NH1 3.43Å; E334-R441 PolarHBondContact OE2-NH1 2.93Å; E334-R441 IonicContact OE2-NH2 3.83Å; E334-R441 PolarHBondContact OE2-NH2 3.45Å; E335-R441 CarbonylContact C-O 3.59Å; E335-R441 WeakPolarHBondContact CA-O 3.38Å; E335-R441 IonicContact OE1-CZ 3.18Å; E335-R441 IonicContact OE1-NE 2.73Å; E335-R441 PolarHBondContact OE1-NE 3.48Å; E335-R441 IonicContact OE1-NH2 3.13Å; E335-R441 PolarHBondContact OE1-NH2 2.97Å; L336-R441 PolarHBondContact N-O 2.82Å
442C83.9Confident66.8Low4 Ų4101 Ų1013%0.02751%0.513CS..EExtended strand (participates in β ladder)trans-75.2142.2163.4-71.70000110.7F338 Y372 V399 S400 A401 D403F338-C442 HydrophobicContact CE2-CB 4.31Å; F338-C442 VanDerWaalsContact CE2-SG 3.57Å; Y372-C442 PolarHBondContact OH-SG 2.71Å; V399-C442 HydrophobicContact CG1-CB 3.99Å; S400-C442 VanDerWaalsContact O-CB 3.23Å; S400-C442 WeakPolarHBondContact O-CB 3.49Å; A401-C442 WeakPolarHBondContact CA-O 3.38Å; D403-C442 HydrophobicContact CB-CB 4.35Å; D403-C442 PolarHBondContact O-N 2.79Å
443H68.7Low64.1Low81 Ų8198.2 Ų98.238%0.37552%0.515SS..EExtended strand (participates in β ladder)trans-128.4128.7167.8-166.3101.4000110E335 L336 Y337E335-H443 IonicContact OE2-ND1 2.7Å; L336-H443 PolarHBondContact O-N 2.92Å; Y337-H443 HydrophobicContact CD1-CB 3.72Å; Y337-H443 AromaticContact CD1-CD2 3.92Å; Y337-H443 HydrophobicContact CE1-CB 3.61Å; Y337-H443 AromaticContact CE1-CD2 3.76Å; Y337-H443 AromaticContact CE1-CG 3.67Å
444T59.7Low61.2Low50 Ų5097 Ų9731%0.30751%0.513SS..  trans-98.4123.9176.1-580000108.3V399 E446V399-T444 PolarHBondContact O-OG1 2.8Å; T444-E446 HydrophobicContact CG2-CG 4.35Å; T444-E446 PolarHBondContact O-N 3.36Å
445V51.3Low58.5Low98 Ų9898.9 Ų98.959%0.59453%0.529SS*.  trans-76.591.3176-177.40000108.7
446E42.3Very low55.4Low165 Ų165107 Ų10777%0.77156%0.562SS**  trans-78.6129171.4-71.1-173170.300110.8T444 S448T444-E446 HydrophobicContact CG2-CG 4.35Å; T444-E446 PolarHBondContact O-N 3.36Å; E446-S448 PolarHBondContact O-N 2.95Å
447S36Very low52.8Low125 Ų125113.4 Ų113.487%0.87460%0.597SS**  trans-72.887175.8163.90000110.4
448S32.3Very low49.6Very low100 Ų100117.1 Ų117.170%0.69962%0.619SS**  trans-73132.9178.163.30000113.3E446E446-S448 PolarHBondContact O-N 2.95Å
449K28.3Very low46.9Very low205 Ų205120.1 Ų120.189%0.89165%0.647SS**  trans-133.5120.4134.8-80.6-164176.3-176.40109.2
450P35.1Very low44.2Very low114 Ų114122.6 Ų122.674%0.7466%0.662SS**  trans-83.4149.9175.434.5-33.1000110.3
451N29.8Very low41.7Very low169 Ų169130.3 Ų130.390%0.90470%0.703SS**  trans-129.3129.4160.1-100.9-4.6000109.6
452T28.3Very low39.2Very low125 Ų125133.9 Ų133.977%0.76773%0.725SS**  trans-64.8137-175.1-490000112.1T454T452-T454 HydrophobicContact CG2-CG2 4.47Å; T452-T454 PolarHBondContact O-N 3.07Å; T452-T454 VanDerWaalsContact O-N 3.16Å
453L28.8Very low37.7Very low175 Ų175137.4 Ų137.492%0.91675%0.75SS**  trans-75.997.7168.9-76.6166.9000110.4
454T27.7Very low36.6Very low121 Ų121139.9 Ų139.974%0.74277%0.766SS**  trans-114.1111.1157.853.30000109T452 K456T452-T454 HydrophobicContact CG2-CG2 4.47Å; T452-T454 PolarHBondContact O-N 3.07Å; T452-T454 VanDerWaalsContact O-N 3.16Å; T454-K456 PolarHBondContact O-N 2.81Å
455L33Very low35.9Very low177 Ų177145 Ų14593%0.92778%0.784SS**  trans-66.3113.4170-85.7158.8000109.8
456K28.8Very low35.8Very low198 Ų198143.8 Ų143.886%0.86178%0.777SS**  trans-139.2133.4153-96.8-171.8175179.70108.7T454 N458T454-K456 PolarHBondContact O-N 2.81Å; K456-N458 PolarHBondContact O-N 2.82Å
457D37.9Very low36.1Very low153 Ų153139.2 Ų139.282%0.81876%0.763SS**  trans-62.1129.6-177.6-57.7-74.3000112
458N28.2Very low37.1Very low168 Ų168139.5 Ų139.590%0.89875%0.75SS**  trans-163.3129.2139.9-94.2-36.2000108.5K456K456-N458 PolarHBondContact O-N 2.82Å
459A35.3Very low38.5Very low82 Ų82139.4 Ų139.468%0.67874%0.742SS**  trans-88.4163.2-172.400000113.1
460F35.7Very low40.2Very low188 Ų188134.4 Ų134.483%0.82572%0.724SS**  trans67.391.2168.4-61.7-79.1000118
461N38.6Very low41.5Very low163 Ų163132.8 Ų132.887%0.87272%0.715SS**  -176.791.2105.3-87.7-25.9000110.6
462M33.5Very low43.4Very low150 Ų150130 Ų13074%0.73970%0.699SS**  trans-89.2136.4167.6-16579.394.100108.5
463S52.3Low45.2Very low79 Ų79130.3 Ų130.355%0.55269%0.692SS**  trans-73.2133.2173.5-175.80000110.4K465 T466S463-K465 PolarHBondContact O-N 2.9Å; S463-T466 PolarHBondContact O-N 2.96Å
464D45.7Very low46.9Very low133 Ų133127 Ų12771%0.71167%0.674SS**Hα-helixtrans-49-38.3-177.2-66.2-55.5000113.3T466 S467 E468D464-T466 VanDerWaalsContact C-N 3.28Å; D464-T466 PolarHBondContact O-N 3.18Å; D464-S467 WeakPolarHBondContact O-CB 3.41Å; D464-S467 PolarHBondContact O-N 2.82Å; D464-E468 PolarHBondContact O-N 2.84Å
465K45.6Very low49Very low158 Ų158124.1 Ų124.169%0.68766%0.66SS**Hα-helixtrans-56.7-36.3179.6-75.3-174.7172.3-178.40114.1S463 D469S463-K465 PolarHBondContact O-N 2.9Å; K465-D469 PolarHBondContact O-N 2.98Å; K465-D469 VanDerWaalsContact O-N 3.17Å
466T47.8Very low51.3Low71 Ų71122.3 Ų122.344%0.43665%0.646SS.*Hα-helixtrans-75.9-28.5-179.1-45.90000111.4S463 D464 I470S463-T466 PolarHBondContact O-N 2.96Å; D464-T466 VanDerWaalsContact C-N 3.28Å; D464-T466 PolarHBondContact O-N 3.18Å; T466-I470 HydrophobicContact CG2-CD1 4.35Å; T466-I470 WeakPolarHBondContact O-CD1 3.42Å; T466-I470 VanDerWaalsContact O-CG1 3.26Å; T466-I470 WeakPolarHBondContact O-CG1 3.46Å; T466-I470 PolarHBondContact O-N 3.09Å
467S50.6Low53.6Low70 Ų70117.7 Ų117.749%0.4963%0.63SS.*Hα-helixtrans-73.1-41.3174.6-163.40000111.5D464 I470 C471D464-S467 WeakPolarHBondContact O-CB 3.41Å; D464-S467 PolarHBondContact O-N 2.82Å; S467-I470 PolarHBondContact O-N 2.84Å; S467-C471 PolarHBondContact O-N 3.11Å
468E56.5Low55.6Low130 Ų130115.6 Ų115.661%0.60762%0.619SS**Hα-helixtrans-62.7-46.4175.5-71.9-172.4132.400112.4D464 I470 C471 L472D464-E468 PolarHBondContact O-N 2.84Å; E468-I470 VanDerWaalsContact C-N 3.32Å; E468-I470 PolarHBondContact O-N 3.01Å; E468-C471 PolarHBondContact O-N 2.96Å; E468-L472 WeakPolarHBondContact O-CB 3.36Å; E468-L472 WeakPolarHBondContact O-CG 3.43Å; E468-L472 PolarHBondContact O-N 3.11Å
469D61.3Low58.3Low99 Ų99111.5 Ų111.553%0.52959%0.594SS.*Hα-helixtrans-60.3-39.6177.9-104.1-18.6000112.2K465 L472 Q473K465-D469 PolarHBondContact O-N 2.98Å; K465-D469 VanDerWaalsContact O-N 3.17Å; D469-L472 PolarHBondContact O-N 2.81Å; D469-Q473 WeakPolarHBondContact O-CB 3.35Å; D469-Q473 WeakPolarHBondContact O-CG 3.45Å; D469-Q473 PolarHBondContact O-N 2.86Å
470I64Low60.4Low99 Ų99110.6 Ų110.651%0.50858%0.583SS.*Hα-helixtrans-67.6-42176.9-68.6169000110.9T466 S467 E468 L472 Q473 L474T466-I470 HydrophobicContact CG2-CD1 4.35Å; T466-I470 WeakPolarHBondContact O-CD1 3.42Å; T466-I470 VanDerWaalsContact O-CG1 3.26Å; T466-I470 WeakPolarHBondContact O-CG1 3.46Å; T466-I470 PolarHBondContact O-N 3.09Å; S467-I470 PolarHBondContact O-N 2.84Å; E468-I470 VanDerWaalsContact C-N 3.32Å; E468-I470 PolarHBondContact O-N 3.01Å; I470-L472 VanDerWaalsContact C-N 3.35Å; I470-L472 PolarHBondContact O-N 3.33Å; I470-Q473 PolarHBondContact O-N 3.33Å; I470-L474 VanDerWaalsContact O-CB 3.32Å; I470-L474 WeakPolarHBondContact O-CB 3.43Å; I470-L474 PolarHBondContact O-N 3.19Å
471C61.8Low62.3Low80 Ų80105.5 Ų105.554%0.54156%0.564SS.*Hα-helixtrans-62.8-38.6173.6-90.20000112.7S467 E468 L474 S475S467-C471 PolarHBondContact O-N 3.11Å; E468-C471 PolarHBondContact O-N 2.96Å; C471-L474 PolarHBondContact O-N 2.86Å; C471-S475 WeakPolarHBondContact O-CB 3.37Å; C471-S475 PolarHBondContact O-N 3.43Å; C471-S475 PolarHBondContact O-OG 3.16Å
472L70.1Confident64.6Low111 Ų111105.1 Ų105.158%0.58155%0.551SS**Hα-helixtrans-66.5-44.1175.4-74168.8000111.7E468 D469 I470 S475 H476E468-L472 WeakPolarHBondContact O-CB 3.36Å; E468-L472 WeakPolarHBondContact O-CG 3.43Å; E468-L472 PolarHBondContact O-N 3.11Å; D469-L472 PolarHBondContact O-N 2.81Å; I470-L472 VanDerWaalsContact C-N 3.35Å; I470-L472 PolarHBondContact O-N 3.33Å; L472-S475 WeakPolarHBondContact CA-OG 3.42Å; L472-S475 PolarHBondContact O-N 2.99Å; L472-S475 PolarHBondContact O-OG 2.83Å; L472-H476 WeakPolarHBondContact O-CB 3.23Å; L472-H476 PolarHBondContact O-N 3.1Å
473Q65.9Low67.1Low132 Ų132103.3 Ų103.362%0.61754%0.539SS*.Hα-helixtrans-63.3-41.9174.6-72.8179.66.300112.3D469 I470 H476 L477D469-Q473 WeakPolarHBondContact O-CB 3.35Å; D469-Q473 WeakPolarHBondContact O-CG 3.45Å; D469-Q473 PolarHBondContact O-N 2.86Å; I470-Q473 PolarHBondContact O-N 3.33Å; Q473-H476 PolarHBondContact O-N 2.94Å; Q473-L477 WeakPolarHBondContact O-CB 3.28Å; Q473-L477 PolarHBondContact O-N 3.2Å
474L65.7Low68.5Low104 Ų104104.5 Ų104.555%0.54554%0.538SS..Hα-helixtrans-63.8-45.7177.9-169.476.5000111.8I470 C471 L477 L478I470-L474 VanDerWaalsContact O-CB 3.32Å; I470-L474 WeakPolarHBondContact O-CB 3.43Å; I470-L474 PolarHBondContact O-N 3.19Å; C471-L474 PolarHBondContact O-N 2.86Å; L474-L477 WeakPolarHBondContact O-CB 3.39Å; L474-L477 PolarHBondContact O-N 2.84Å; L474-L478 HydrophobicContact CG-CD1 4.38Å; L474-L478 WeakPolarHBondContact O-CG 3.46Å; L474-L478 PolarHBondContact O-N 3.48Å
475S71.8Confident70.4Confident62 Ų62104.6 Ų104.643%0.43453%0.534SS..Hα-helixtrans-65.1-38.2177.859.20000112.4C471 L472 L478 E479C471-S475 WeakPolarHBondContact O-CB 3.37Å; C471-S475 PolarHBondContact O-N 3.43Å; C471-S475 PolarHBondContact O-OG 3.16Å; L472-S475 WeakPolarHBondContact CA-OG 3.42Å; L472-S475 PolarHBondContact O-N 2.99Å; L472-S475 PolarHBondContact O-OG 2.83Å; S475-L478 PolarHBondContact O-N 3.07Å; S475-E479 WeakPolarHBondContact O-CB 3.37Å; S475-E479 PolarHBondContact O-N 2.96Å
476H80.3Confident72.5Confident139 Ų139100.7 Ų100.764%0.64452%0.521SS*.Hα-helixtrans-64.3-38.3172.4-172.5-87.1000112.5L472 Q473 S480L472-H476 WeakPolarHBondContact O-CB 3.23Å; L472-H476 PolarHBondContact O-N 3.1Å; Q473-H476 PolarHBondContact O-N 2.94Å; H476-S480 WeakPolarHBondContact O-CB 3.39Å; H476-S480 PolarHBondContact O-N 3.33Å
477L76.7Confident74.3Confident100 Ų100103 Ų10352%0.52453%0.527SS..Hα-helixtrans-64.7-44.9174.9-113.5164.9000112.2Q473 L474 S480 N481Q473-L477 WeakPolarHBondContact O-CB 3.28Å; Q473-L477 PolarHBondContact O-N 3.2Å; L474-L477 WeakPolarHBondContact O-CB 3.39Å; L474-L477 PolarHBondContact O-N 2.84Å; L477-S480 PolarHBondContact O-N 3.13Å; L477-N481 WeakPolarHBondContact O-CB 3.43Å; L477-N481 PolarHBondContact O-N 3.5Å
478L79.9Confident76.1Confident110 Ų110103.4 Ų103.458%0.57653%0.526SS*.Hα-helixtrans-61.3-45.2176.4-72.8167.9000111.7L474 S475 S480 N481 R482L474-L478 HydrophobicContact CG-CD1 4.38Å; L474-L478 WeakPolarHBondContact O-CG 3.46Å; L474-L478 PolarHBondContact O-N 3.48Å; S475-L478 PolarHBondContact O-N 3.07Å; L478-S480 VanDerWaalsContact C-N 3.35Å; L478-S480 PolarHBondContact O-N 3.48Å; L478-N481 PolarHBondContact O-N 3.14Å; L478-R482 WeakPolarHBondContact O-CB 3.33Å; L478-R482 PolarHBondContact O-N 3.19Å
479E85.4Confident77.6Confident81 Ų81103.2 Ų103.238%0.37953%0.525SS..Hα-helixtrans-65.5-36.2176.8178.761.1-166.900112.3S475 K483S475-E479 WeakPolarHBondContact O-CB 3.37Å; S475-E479 PolarHBondContact O-N 2.96Å; E479-K483 WeakPolarHBondContact O-CG 3.04Å; E479-K483 PolarHBondContact O-N 3.22Å; E479-K483 VanDerWaalsContact O-N 3.12Å; E479-K483 WeakPolarHBondContact OE1-CE 3.34Å; E479-K483 IonicContact OE1-NZ 2.82Å; E479-K483 PolarHBondContact OE1-NZ 3.01Å
480S78.8Confident78.9Confident64 Ų64105.5 Ų105.545%0.44853%0.526SS..Hα-helixtrans-69.7-39174.3-168.30000112.5H476 L477 L478 K483 L484H476-S480 WeakPolarHBondContact O-CB 3.39Å; H476-S480 PolarHBondContact O-N 3.33Å; L477-S480 PolarHBondContact O-N 3.13Å; L478-S480 VanDerWaalsContact C-N 3.35Å; L478-S480 PolarHBondContact O-N 3.48Å; S480-K483 PolarHBondContact O-N 3.45Å; S480-L484 PolarHBondContact O-N 2.88Å; S480-L484 VanDerWaalsContact O-N 3.09Å
481N76.3Confident80.1Confident81 Ų81104.4 Ų104.443%0.43353%0.527SS..Hα-helixtrans-64.5-45.9175.4-78.2-16.2000111.2L477 L478 K483 L484 E485L477-N481 WeakPolarHBondContact O-CB 3.43Å; L477-N481 PolarHBondContact O-N 3.5Å; L478-N481 PolarHBondContact O-N 3.14Å; N481-K483 VanDerWaalsContact C-N 3.33Å; N481-K483 PolarHBondContact O-N 3.45Å; N481-L484 CarbonylContact O-C 3.57Å; N481-L484 WeakPolarHBondContact O-CA 3.48Å; N481-L484 VanDerWaalsContact O-CB 3.29Å; N481-L484 WeakPolarHBondContact O-CB 3.29Å; N481-L484 PolarHBondContact O-N 2.78Å; N481-E485 PolarHBondContact O-N 2.99Å
482R87.3Confident81.4Confident155 Ų155103.7 Ų103.759%0.58552%0.517SS*.Hα-helixtrans-57.8-42.5175.5179.5-179.4164.2179.5-4.8112.4L478 L484 E485 D486L478-R482 WeakPolarHBondContact O-CB 3.33Å; L478-R482 PolarHBondContact O-N 3.19Å; R482-L484 VanDerWaalsContact C-N 3.27Å; R482-L484 PolarHBondContact O-N 2.93Å; R482-E485 PolarHBondContact O-N 3.17Å; R482-D486 PolarHBondContact O-N 2.95Å
483K86.6Confident82.6Confident112 Ų112106.2 Ų106.249%0.48752%0.519SS..Hα-helixtrans-63.2-33173.9-78.5169.2179.9145.50112.9E479 S480 N481 Q487E479-K483 WeakPolarHBondContact O-CG 3.04Å; E479-K483 PolarHBondContact O-N 3.22Å; E479-K483 VanDerWaalsContact O-N 3.12Å; E479-K483 WeakPolarHBondContact OE1-CE 3.34Å; E479-K483 IonicContact OE1-NZ 2.82Å; E479-K483 PolarHBondContact OE1-NZ 3.01Å; S480-K483 PolarHBondContact O-N 3.45Å; N481-K483 VanDerWaalsContact C-N 3.33Å; N481-K483 PolarHBondContact O-N 3.45Å; K483-Q487 WeakPolarHBondContact O-CG 3.36Å; K483-Q487 PolarHBondContact O-N 3.16Å; K483-Q487 VanDerWaalsContact O-N 3.1Å
484L80Confident83.9Confident103 Ų103106.1 Ų106.154%0.53952%0.516SS..Hα-helixtrans-71.9-43.3176.4-158.474.7000111.2S480 N481 R482 D486 Q487 V488S480-L484 PolarHBondContact O-N 2.88Å; S480-L484 VanDerWaalsContact O-N 3.09Å; N481-L484 CarbonylContact O-C 3.57Å; N481-L484 WeakPolarHBondContact O-CA 3.48Å; N481-L484 VanDerWaalsContact O-CB 3.29Å; N481-L484 WeakPolarHBondContact O-CB 3.29Å; N481-L484 PolarHBondContact O-N 2.78Å; R482-L484 VanDerWaalsContact C-N 3.27Å; R482-L484 PolarHBondContact O-N 2.93Å; L484-D486 PolarHBondContact O-N 3.18Å; L484-Q487 PolarHBondContact O-N 3.49Å; L484-Q487 VanDerWaalsContact O-N 3.13Å; L484-V488 WeakPolarHBondContact O-CG2 3.5Å; L484-V488 PolarHBondContact O-N 2.73Å
485E85.9Confident85.2Confident136 Ų136107.3 Ų107.364%0.63652%0.519SS*.Hα-helixtrans-58-46.7172.7-70.2177.3160.300111.4N481 R482 Q487 V488 Q489N481-E485 PolarHBondContact O-N 2.99Å; R482-E485 PolarHBondContact O-N 3.17Å; E485-Q487 VanDerWaalsContact C-N 3.29Å; E485-Q487 PolarHBondContact O-N 2.63Å; E485-V488 PolarHBondContact O-N 3.42Å; E485-Q489 WeakPolarHBondContact O-CB 3.43Å; E485-Q489 PolarHBondContact O-N 3.32Å
486D89.8Confident86.1Confident75 Ų75110.1 Ų110.140%0.40153%0.526SS..Hα-helixtrans-58.9-37.3173.8-85.4-16.3000112.7R482 L484 R490R482-D486 PolarHBondContact O-N 2.95Å; L484-D486 PolarHBondContact O-N 3.18Å; D486-R490 WeakPolarHBondContact O-CB 3.41Å; D486-R490 WeakPolarHBondContact O-CG 3.46Å; D486-R490 VanDerWaalsContact O-CZ 3.27Å; D486-R490 PolarHBondContact O-N 3.28Å; D486-R490 VanDerWaalsContact O-N 3.14Å; D486-R490 PolarHBondContact O-NE 3.09Å
487Q86.2Confident86.8Confident120 Ų120106.9 Ų106.956%0.56151%0.513SS*.Hα-helixtrans-70.9-42175.3-78.4-172.73.400112.3K483 L484 E485 R490 C491K483-Q487 WeakPolarHBondContact O-CG 3.36Å; K483-Q487 PolarHBondContact O-N 3.16Å; K483-Q487 VanDerWaalsContact O-N 3.1Å; L484-Q487 PolarHBondContact O-N 3.49Å; L484-Q487 VanDerWaalsContact O-N 3.13Å; E485-Q487 VanDerWaalsContact C-N 3.29Å; E485-Q487 PolarHBondContact O-N 2.63Å; Q487-R490 VanDerWaalsContact CG-NH2 3.31Å; Q487-R490 PolarHBondContact O-N 3.22Å; Q487-C491 WeakPolarHBondContact O-CB 3.42Å; Q487-C491 PolarHBondContact O-N 3.18Å
488V87.5Confident87.7Confident79 Ų79106.7 Ų106.748%0.47951%0.512SS..Hα-helixtrans-62.2-45.5175.9169.90000110.4L484 E485 R490 C491 I492L484-V488 WeakPolarHBondContact O-CG2 3.5Å; L484-V488 PolarHBondContact O-N 2.73Å; E485-V488 PolarHBondContact O-N 3.42Å; V488-R490 PolarHBondContact O-N 2.7Å; V488-C491 WeakPolarHBondContact O-CB 2.91Å; V488-C491 PolarHBondContact O-N 3.4Å; V488-C491 VanDerWaalsContact O-N 3.07Å; V488-I492 HydrophobicContact CG1-CD1 3.84Å; V488-I492 HydrophobicContact CG1-CG1 4.45Å; V488-I492 WeakPolarHBondContact O-CG1 3.38Å; V488-I492 PolarHBondContact O-N 2.96Å
489Q88.1Confident88.4Confident126 Ų126106.9 Ų106.959%0.58951%0.513SS*.Hα-helixtrans-64.3-39.9179.6-166.866.3000112.2E485 C491 I492 W493E485-Q489 WeakPolarHBondContact O-CB 3.43Å; E485-Q489 PolarHBondContact O-N 3.32Å; Q489-C491 VanDerWaalsContact C-N 3.32Å; Q489-C491 PolarHBondContact O-N 2.99Å; Q489-I492 PolarHBondContact O-N 2.89Å; Q489-W493 WeakPolarHBondContact O-CB 3.22Å; Q489-W493 PolarHBondContact O-N 3.38Å
490R89.8Confident88.9Confident146 Ų146106.6 Ų106.655%0.55152%0.519SS*.Hα-helixtrans-61.8-38.5170.7-78-174.6-68.2-94.3-3.1112.5D486 Q487 V488 W493 F494D486-R490 WeakPolarHBondContact O-CB 3.41Å; D486-R490 WeakPolarHBondContact O-CG 3.46Å; D486-R490 VanDerWaalsContact O-CZ 3.27Å; D486-R490 PolarHBondContact O-N 3.28Å; D486-R490 VanDerWaalsContact O-N 3.14Å; D486-R490 PolarHBondContact O-NE 3.09Å; Q487-R490 VanDerWaalsContact CG-NH2 3.31Å; Q487-R490 PolarHBondContact O-N 3.22Å; V488-R490 PolarHBondContact O-N 2.7Å; R490-W493 PolarHBondContact O-N 3.31Å; R490-F494 WeakPolarHBondContact O-CB 3.46Å; R490-F494 PolarHBondContact O-N 2.89Å
491C87.6Confident89.7Confident76 Ų76108.2 Ų108.251%0.51452%0.523SS..Hα-helixtrans-67.1-44.6178.3-161.60000111.8Q487 V488 Q489 W493 F494 Q495Q487-C491 WeakPolarHBondContact O-CB 3.42Å; Q487-C491 PolarHBondContact O-N 3.18Å; V488-C491 WeakPolarHBondContact O-CB 2.91Å; V488-C491 PolarHBondContact O-N 3.4Å; V488-C491 VanDerWaalsContact O-N 3.07Å; Q489-C491 VanDerWaalsContact C-N 3.32Å; Q489-C491 PolarHBondContact O-N 2.99Å; C491-W493 VanDerWaalsContact C-N 3.35Å; C491-W493 PolarHBondContact O-N 3.44Å; C491-F494 PolarHBondContact O-N 3.37Å; C491-Q495 PolarHBondContact O-N 3.12Å
492I90.1Very high90.6Very high65 Ų65108 Ų10833%0.33352%0.524SS..Hα-helixtrans-59-46.5174.2-68.2167.2000110.5V488 Q489 F494 Q495 Q496V488-I492 HydrophobicContact CG1-CD1 3.84Å; V488-I492 HydrophobicContact CG1-CG1 4.45Å; V488-I492 WeakPolarHBondContact O-CG1 3.38Å; V488-I492 PolarHBondContact O-N 2.96Å; Q489-I492 PolarHBondContact O-N 2.89Å; I492-F494 VanDerWaalsContact C-N 3.34Å; I492-F494 PolarHBondContact O-N 3.33Å; I492-Q495 PolarHBondContact O-N 3.39Å; I492-Q496 WeakPolarHBondContact O-CG 3.32Å; I492-Q496 PolarHBondContact O-N 2.84Å
493W95Very high91Very high165 Ų165106 Ų10663%0.62552%0.523SS*.Hα-helixtrans-62.3-40.8178.1-165.986.9000112.1Q489 R490 C491 Q496 L497Q489-W493 WeakPolarHBondContact O-CB 3.22Å; Q489-W493 PolarHBondContact O-N 3.38Å; R490-W493 PolarHBondContact O-N 3.31Å; C491-W493 VanDerWaalsContact C-N 3.35Å; C491-W493 PolarHBondContact O-N 3.44Å; W493-Q496 PolarHBondContact O-N 2.9Å; W493-L497 HydrophobicContact CH2-CD2 4.21Å; W493-L497 HydrophobicContact CZ3-CD2 3.81Å; W493-L497 WeakPolarHBondContact O-CB 3.46Å; W493-L497 PolarHBondContact O-N 3.1Å
494F93.5Very high91.4Very high129 Ų129106 Ų10657%0.56653%0.528SS*.Hα-helixtrans-65.3-39.3175.1-168.7-95.3000112.5R490 C491 I492 L497 L498R490-F494 WeakPolarHBondContact O-CB 3.46Å; R490-F494 PolarHBondContact O-N 2.89Å; C491-F494 PolarHBondContact O-N 3.37Å; I492-F494 VanDerWaalsContact C-N 3.34Å; I492-F494 PolarHBondContact O-N 3.33Å; F494-L497 PolarHBondContact O-N 2.98Å; F494-L498 WeakPolarHBondContact O-CB 3.46Å; F494-L498 PolarHBondContact O-N 3.35Å
495Q92.1Very high92.1Very high129 Ų129106.6 Ų106.660%0.60353%0.531SS*.Hα-helixtrans-63.4-42.3173-74.2-173.3-62.700112.1C491 I492 L498 L499C491-Q495 PolarHBondContact O-N 3.12Å; I492-Q495 PolarHBondContact O-N 3.39Å; Q495-L498 PolarHBondContact O-N 2.97Å; Q495-L499 WeakPolarHBondContact O-CB 3.49Å; Q495-L499 PolarHBondContact O-N 2.92Å
496Q91.9Very high92.6Very high122 Ų122104.7 Ų104.757%0.5752%0.524SS*.Hα-helixtrans-63.7-42.6176.3-72.9175.8-19.100111.9I492 W493 L499 S500I492-Q496 WeakPolarHBondContact O-CG 3.32Å; I492-Q496 PolarHBondContact O-N 2.84Å; W493-Q496 PolarHBondContact O-N 2.9Å; Q496-L499 PolarHBondContact O-N 2.84Å; Q496-S500 WeakPolarHBondContact O-CB 3.39Å; Q496-S500 PolarHBondContact O-N 2.89Å
497L95.4Very high92.7Very high70 Ų70103.6 Ų103.637%0.36653%0.526SS..Hα-helixtrans-61.6-47.3174.5178.764.1000111.5W493 F494 L499 S500 L501W493-L497 HydrophobicContact CH2-CD2 4.21Å; W493-L497 HydrophobicContact CZ3-CD2 3.81Å; W493-L497 WeakPolarHBondContact O-CB 3.46Å; W493-L497 PolarHBondContact O-N 3.1Å; F494-L497 PolarHBondContact O-N 2.98Å; L497-L499 PolarHBondContact O-N 2.93Å; L497-S500 PolarHBondContact O-N 2.76Å; L497-L501 HydrophobicContact CD1-CD1 4.34Å; L497-L501 HydrophobicContact CD1-CG 4.47Å; L497-L501 HydrophobicContact CG-CD1 4.14Å; L497-L501 WeakPolarHBondContact O-CG 3.48Å; L497-L501 PolarHBondContact O-N 2.9Å
498L94.3Very high93.2Very high97 Ų97105.3 Ų105.351%0.50853%0.532SS..Hα-helixtrans-61.9-43.6179.2-169.770.8000111.3F494 Q495 L501 T502F494-L498 WeakPolarHBondContact O-CB 3.46Å; F494-L498 PolarHBondContact O-N 3.35Å; Q495-L498 PolarHBondContact O-N 2.97Å; L498-L501 PolarHBondContact O-N 2.92Å; L498-T502 WeakPolarHBondContact O-CG2 3.38Å; L498-T502 PolarHBondContact O-N 2.97Å; L498-T502 PolarHBondContact O-OG1 3.42Å
499L95.9Very high93.5Very high113 Ų113104.4 Ų104.459%0.59253%0.527SS*.Hα-helixtrans-60.8-46.8176.3-174.566000111.3Q495 Q496 L497 L501 T502 M503Q495-L499 WeakPolarHBondContact O-CB 3.49Å; Q495-L499 PolarHBondContact O-N 2.92Å; Q496-L499 PolarHBondContact O-N 2.84Å; L497-L499 PolarHBondContact O-N 2.93Å; L499-L501 PolarHBondContact O-N 3.49Å; L499-T502 WeakPolarHBondContact CA-OG1 2.99Å; L499-T502 PolarHBondContact O-N 2.95Å; L499-T502 PolarHBondContact O-OG1 2.95Å; L499-M503 WeakPolarHBondContact O-CG 3.38Å; L499-M503 PolarHBondContact O-N 3.39Å
500S95.1Very high93.6Very high75 Ų75102.3 Ų102.352%0.52452%0.522SS..Hα-helixtrans-57.9-46.2176.1-1740000112.1Q496 L497 T502 M503 L504Q496-S500 WeakPolarHBondContact O-CB 3.39Å; Q496-S500 PolarHBondContact O-N 2.89Å; L497-S500 PolarHBondContact O-N 2.76Å; S500-T502 PolarHBondContact O-N 3.48Å; S500-M503 PolarHBondContact O-N 3.22Å; S500-L504 WeakPolarHBondContact O-CB 3.45Å; S500-L504 PolarHBondContact O-N 3.49Å
501L95.5Very high93.6Very high99 Ų9998.3 Ų98.352%0.51852%0.517SS..Hα-helixtrans-61-42.8175.6-71.9169.3000112.1L497 L498 L499 M503 L504 L505L497-L501 HydrophobicContact CD1-CD1 4.34Å; L497-L501 HydrophobicContact CD1-CG 4.47Å; L497-L501 HydrophobicContact CG-CD1 4.14Å; L497-L501 WeakPolarHBondContact O-CG 3.48Å; L497-L501 PolarHBondContact O-N 2.9Å; L498-L501 PolarHBondContact O-N 2.92Å; L499-L501 PolarHBondContact O-N 3.49Å; L501-M503 PolarHBondContact O-N 3.49Å; L501-L504 PolarHBondContact O-N 3.43Å; L501-L505 WeakPolarHBondContact O-CB 3.47Å; L501-L505 PolarHBondContact O-N 3.05Å
502T95.3Very high93.8Very high76 Ų76100.8 Ų100.847%0.46652%0.519SS..Hα-helixtrans-64.4-38.2176.9550000112.9L498 L499 S500 L505 L506L498-T502 WeakPolarHBondContact O-CG2 3.38Å; L498-T502 PolarHBondContact O-N 2.97Å; L498-T502 PolarHBondContact O-OG1 3.42Å; L499-T502 WeakPolarHBondContact CA-OG1 2.99Å; L499-T502 PolarHBondContact O-N 2.95Å; L499-T502 PolarHBondContact O-OG1 2.95Å; S500-T502 PolarHBondContact O-N 3.48Å; T502-L505 PolarHBondContact O-N 3Å; T502-L506 WeakPolarHBondContact O-CB 3.26Å; T502-L506 PolarHBondContact O-N 2.85Å
503M94.9Very high93.8Very high114 Ų114103 Ų10356%0.56253%0.527SS*.Hα-helixtrans-67.9-39.4176.1-70-59.4-62.800112.1L499 S500 L501 L506 A507L499-M503 WeakPolarHBondContact O-CG 3.38Å; L499-M503 PolarHBondContact O-N 3.39Å; S500-M503 PolarHBondContact O-N 3.22Å; L501-M503 PolarHBondContact O-N 3.49Å; M503-L506 PolarHBondContact O-N 3.17Å; M503-A507 WeakPolarHBondContact O-CB 3.4Å; M503-A507 PolarHBondContact O-N 2.95Å
504L95.8Very high93.5Very high112 Ų112103.5 Ų103.559%0.58653%0.53SS*.Hα-helixtrans-67.3-39.7176.8-167.7148.7000111.5S500 L501 A507 F508S500-L504 WeakPolarHBondContact O-CB 3.45Å; S500-L504 PolarHBondContact O-N 3.49Å; L501-L504 PolarHBondContact O-N 3.43Å; L504-A507 PolarHBondContact O-N 2.58Å; L504-F508 PolarHBondContact O-N 3.06Å
505L94.9Very high93.2Very high114 Ų114103 Ų10360%0.59753%0.533SS*.Hα-helixtrans-67-41.4176.2-152.8158000111L501 T502 F508 V509L501-L505 WeakPolarHBondContact O-CB 3.47Å; L501-L505 PolarHBondContact O-N 3.05Å; T502-L505 PolarHBondContact O-N 3Å; L505-F508 PolarHBondContact O-N 3.35Å; L505-V509 HydrophobicContact CD2-CG2 4.11Å; L505-V509 WeakPolarHBondContact O-CG2 3.29Å; L505-V509 PolarHBondContact O-N 3.38Å
506L95Very high92.8Very high96 Ų96101.9 Ų101.950%0.50353%0.53SS..Hα-helixtrans-59.9-46.4172.3-176.965.4000111.6T502 M503 F508 V509 T510T502-L506 WeakPolarHBondContact O-CB 3.26Å; T502-L506 PolarHBondContact O-N 2.85Å; M503-L506 PolarHBondContact O-N 3.17Å; L506-F508 VanDerWaalsContact C-N 3.32Å; L506-F508 PolarHBondContact O-N 2.91Å; L506-V509 PolarHBondContact O-N 3.22Å; L506-T510 PolarHBondContact O-N 2.87Å; L506-T510 PolarHBondContact O-OG1 3.14Å
507A93.8Very high92.1Very high53 Ų53105.5 Ų105.544%0.43854%0.54SS..Hα-helixtrans-59.7-42.3176.800000112M503 L504 T510 S511M503-A507 WeakPolarHBondContact O-CB 3.4Å; M503-A507 PolarHBondContact O-N 2.95Å; L504-A507 PolarHBondContact O-N 2.58Å; A507-T510 WeakPolarHBondContact CA-OG1 3.33Å; A507-T510 PolarHBondContact O-N 3.39Å; A507-T510 PolarHBondContact O-OG1 3.45Å; A507-S511 WeakPolarHBondContact O-CB 3.44Å; A507-S511 PolarHBondContact O-N 3.24Å
508F95.1Very high90.6Very high155 Ų155108.1 Ų108.168%0.6856%0.564SS**Hα-helixtrans-61.8-45.1176-132.7-81.7000111.8L504 L505 L506 S511 F512L504-F508 PolarHBondContact O-N 3.06Å; L505-F508 PolarHBondContact O-N 3.35Å; L506-F508 VanDerWaalsContact C-N 3.32Å; L506-F508 PolarHBondContact O-N 2.91Å; F508-S511 PolarHBondContact O-N 3.22Å; F508-F512 WeakPolarHBondContact O-CB 3.37Å; F508-F512 PolarHBondContact O-N 3.36Å
509V93.7Very high90.5Very high61 Ų61108.7 Ų108.737%0.3757%0.566SS.*Hα-helixtrans-61.9-46.4175.8169.60000110.9L505 L506 S511 F512 F513L505-V509 HydrophobicContact CD2-CG2 4.11Å; L505-V509 WeakPolarHBondContact O-CG2 3.29Å; L505-V509 PolarHBondContact O-N 3.38Å; L506-V509 PolarHBondContact O-N 3.22Å; V509-S511 VanDerWaalsContact C-N 3.34Å; V509-S511 PolarHBondContact O-N 3.03Å; V509-F512 PolarHBondContact O-N 3.38Å; V509-F513 HydrophobicContact CG1-CD2 3.66Å; V509-F513 HydrophobicContact CG1-CE2 3.64Å; V509-F513 VanDerWaalsContact O-CD2 3.27Å; V509-F513 WeakPolarHBondContact O-CD2 3.49Å; V509-F513 PolarHBondContact O-N 3.43Å
510T91.2Very high90.2Very high81 Ų81108.4 Ų108.450%0.49757%0.565SS.*Hα-helixtrans-64-37.2177.851.60000112.9L506 A507 Y514L506-T510 PolarHBondContact O-N 2.87Å; L506-T510 PolarHBondContact O-OG1 3.14Å; A507-T510 WeakPolarHBondContact CA-OG1 3.33Å; A507-T510 PolarHBondContact O-N 3.39Å; A507-T510 PolarHBondContact O-OG1 3.45Å; T510-Y514 WeakPolarHBondContact O-CB 3.41Å; T510-Y514 PolarHBondContact O-N 2.93Å
511S89.9Confident89.9Confident63 Ų63110.3 Ų110.344%0.44157%0.567SS.*Hα-helixtrans-68.8-41.3176.9-172.60000111.8A507 F508 V509 Y514 L515A507-S511 WeakPolarHBondContact O-CB 3.44Å; A507-S511 PolarHBondContact O-N 3.24Å; F508-S511 PolarHBondContact O-N 3.22Å; V509-S511 VanDerWaalsContact C-N 3.34Å; V509-S511 PolarHBondContact O-N 3.03Å; S511-Y514 PolarHBondContact O-N 3.23Å; S511-L515 PolarHBondContact O-N 3.06Å
512F92Very high89.6Confident128 Ų128110.9 Ų110.956%0.56157%0.57SS**Hα-helixtrans-63.3-42.9174.8-176.2-106000112.1F508 V509 L515 L516F508-F512 WeakPolarHBondContact O-CB 3.37Å; F508-F512 PolarHBondContact O-N 3.36Å; V509-F512 PolarHBondContact O-N 3.38Å; F512-L515 PolarHBondContact O-N 3.01Å; F512-L516 HydrophobicContact CD1-CD1 3.75Å; F512-L516 HydrophobicContact CE1-CD1 3.29Å; F512-L516 HydrophobicContact CE2-CD1 4.18Å; F512-L516 HydrophobicContact CG-CD1 4.37Å; F512-L516 HydrophobicContact CZ-CD1 3.53Å; F512-L516 PolarHBondContact O-N 2.96Å; F512-L516 VanDerWaalsContact O-N 3.16Å
513F89.4Confident89.2Confident112 Ų112113.1 Ų113.149%0.49158%0.577SS.*Hα-helixtrans-64.4-39.8172.4-84.6-66.3000112.4V509 L515 L516 Y517V509-F513 HydrophobicContact CG1-CD2 3.66Å; V509-F513 HydrophobicContact CG1-CE2 3.64Å; V509-F513 VanDerWaalsContact O-CD2 3.27Å; V509-F513 WeakPolarHBondContact O-CD2 3.49Å; V509-F513 PolarHBondContact O-N 3.43Å; F513-L515 PolarHBondContact O-N 3.01Å; F513-L516 PolarHBondContact O-N 2.75Å; F513-Y517 HydrophobicContact CD1-CD2 4.37Å; F513-Y517 HydrophobicContact CD1-CE2 4.02Å; F513-Y517 WeakPolarHBondContact O-CD2 3.5Å; F513-Y517 PolarHBondContact O-N 3.49Å
514Y88.7Confident88.8Confident174 Ų174113.1 Ų113.168%0.68258%0.578SS**Hα-helixtrans-59.9-46.9175.9-173-91000111.7T510 S511 L516 Y517 S518T510-Y514 WeakPolarHBondContact O-CB 3.41Å; T510-Y514 PolarHBondContact O-N 2.93Å; S511-Y514 PolarHBondContact O-N 3.23Å; Y514-L516 VanDerWaalsContact C-N 3.25Å; Y514-L516 PolarHBondContact O-N 3Å; Y514-Y517 PolarHBondContact O-N 3.17Å; Y514-S518 WeakPolarHBondContact O-CB 3.42Å; Y514-S518 PolarHBondContact O-N 3.05Å; Y514-S518 PolarHBondContact O-OG 3.06Å
515L87.3Confident88.3Confident120 Ų120113.1 Ų113.163%0.62858%0.577SS**Hα-helixtrans-66.5-18.9177.2-79.2161.1000115S511 F512 F513S511-L515 PolarHBondContact O-N 3.06Å; F512-L515 PolarHBondContact O-N 3.01Å; F513-L515 PolarHBondContact O-N 3.01Å
516L83.8Confident87.8Confident104 Ų104113.1 Ų113.155%0.54558%0.576SS.*Hα-helixtrans-90.2-16.3177-98.9157.3000113.6F512 F513 Y514F512-L516 HydrophobicContact CD1-CD1 3.75Å; F512-L516 HydrophobicContact CE1-CD1 3.29Å; F512-L516 HydrophobicContact CE2-CD1 4.18Å; F512-L516 HydrophobicContact CG-CD1 4.37Å; F512-L516 HydrophobicContact CZ-CD1 3.53Å; F512-L516 PolarHBondContact O-N 2.96Å; F512-L516 VanDerWaalsContact O-N 3.16Å; F513-L516 PolarHBondContact O-N 2.75Å; Y514-L516 VanDerWaalsContact C-N 3.25Å; Y514-L516 PolarHBondContact O-N 3Å
517Y78.2Confident87.2Confident199 Ų199114.5 Ų114.578%0.7858%0.582SS**Hα-helixtrans-123.46.1-174.3-75.8-91.4000113.4F513 Y514F513-Y517 HydrophobicContact CD1-CD2 4.37Å; F513-Y517 HydrophobicContact CD1-CE2 4.02Å; F513-Y517 WeakPolarHBondContact O-CD2 3.5Å; F513-Y517 PolarHBondContact O-N 3.49Å; Y514-Y517 PolarHBondContact O-N 3.17Å
518S64Low86.6Confident124 Ų124120.1 Ų120.187%0.86760%0.595SS**  trans-104.80165.974.80000111.3Y514Y514-S518 WeakPolarHBondContact O-CB 3.42Å; Y514-S518 PolarHBondContact O-N 3.05Å; Y514-S518 PolarHBondContact O-OG 3.06Å

Retrieved 518 of 518 residues in 98.1 ms (Link to these results)

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