A0A077ZGB9_TRITR Loading...

DNA polymerase subunit gamma-2, mitochondrial

AlphaFold DB , UniProt , Accession A0A077ZGB9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 337 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
1M35.4Very low43.8Very low106 Ų10644 Ų4452%0.52222%0.215SC..  0-46.90-118.917795.300113.1F3 I4 C5 Y206 H241M1-F3 PolarHBondContact O-N 3.42Å; M1-F3 VanDerWaalsContact O-N 3.15Å; M1-I4 PolarHBondContact O-N 3Å; M1-C5 PolarHBondContact O-N 3.1Å; M1-Y206 HydrophobicContact CE-CD1 3.85Å; M1-Y206 HydrophobicContact CE-CE1 3.24Å; M1-Y206 HydrophobicContact SD-CE1 3.71Å; M1-Y206 PolarHBondContact SD-OH 3.39Å; M1-H241 HydrophobicContact CE-CB 4.08Å
2V39.6Very low44.4Very low20 Ų2046.5 Ų46.512%0.12123%0.23CC..Hα-helixtrans-51.1-38174-169.80000112.5I4 C5 V6 V175 P205V2-I4 VanDerWaalsContact C-N 3.31Å; V2-I4 PolarHBondContact O-N 3.02Å; V2-C5 PolarHBondContact O-N 3.03Å; V2-C5 VanDerWaalsContact O-N 3.13Å; V2-V6 HydrophobicContact CG1-CG2 4.23Å; V2-V6 PolarHBondContact O-N 3.48Å; V2-V175 HydrophobicContact CB-CG1 3.9Å; V2-V175 HydrophobicContact CB-CG2 4.32Å; V2-V175 HydrophobicContact CG1-CB 4.4Å; V2-V175 HydrophobicContact CG1-CG1 3.84Å; V2-V175 HydrophobicContact CG1-CG2 3.96Å; V2-P205 HydrophobicContact CG2-CB 3.75Å; V2-P205 HydrophobicContact CG2-CG 4.05Å
3F33.8Very low45Very low62 Ų6243.5 Ų43.527%0.27221%0.214SC..Hα-helixtrans-46.7-49.9172.6-96.6-96.4000113.7M1 L7 V171 D172 V175M1-F3 PolarHBondContact O-N 3.42Å; M1-F3 VanDerWaalsContact O-N 3.15Å; F3-L7 WeakPolarHBondContact O-CB 3.48Å; F3-L7 PolarHBondContact O-N 2.84Å; F3-V171 HydrophobicContact CD1-CB 4.28Å; F3-V171 HydrophobicContact CD1-CG1 3.54Å; F3-V171 HydrophobicContact CE1-CB 4.08Å; F3-V171 HydrophobicContact CE1-CG1 3.8Å; F3-V171 HydrophobicContact CG-CG1 4.33Å; F3-D172 HydrophobicContact CE1-CB 4.47Å; F3-D172 HydrophobicContact CZ-CB 3.89Å; F3-D172 WeakPolarHBondContact CZ-OD1 3.43Å; F3-V175 HydrophobicContact CD2-CG1 4.46Å; F3-V175 HydrophobicContact CD2-CG2 4.03Å; F3-V175 HydrophobicContact CE2-CB 4.37Å; F3-V175 HydrophobicContact CE2-CG1 4.4Å; F3-V175 HydrophobicContact CE2-CG2 4.21Å; F3-V175 HydrophobicContact CG-CG2 4.36Å
4I37.1Very low45.1Very low106 Ų10640.6 Ų40.654%0.54420%0.2SC..Hα-helixtrans-68.4-39.3-176.3-63.9169000109.6M1 V2 L7 F8M1-I4 PolarHBondContact O-N 3Å; V2-I4 VanDerWaalsContact C-N 3.31Å; V2-I4 PolarHBondContact O-N 3.02Å; I4-L7 PolarHBondContact O-N 3.31Å; I4-F8 WeakPolarHBondContact O-CB 3.23Å; I4-F8 PolarHBondContact O-N 2.84Å
5C41.9Very low45.1Very low7 Ų741.3 Ų41.35%0.04721%0.205CC..Hα-helixtrans-65.8-46.3-179.5-54.50000112.1M1 V2 K9 H241M1-C5 PolarHBondContact O-N 3.1Å; V2-C5 PolarHBondContact O-N 3.03Å; V2-C5 VanDerWaalsContact O-N 3.13Å; C5-K9 WeakPolarHBondContact O-CB 3.42Å; C5-K9 WeakPolarHBondContact O-CG 3.49Å; C5-K9 PolarHBondContact O-N 3.18Å; C5-H241 PolarHBondContact SG-CD2 3.13Å; C5-H241 PolarHBondContact SG-NE2 3.48Å
6V47.4Very low45.1Very low0 Ų043.4 Ų43.40%023%0.225CC..Hα-helixtrans-62.7-45.5178.1175.10000110V2 Y10 L169 A174 V175 I178V2-V6 HydrophobicContact CG1-CG2 4.23Å; V2-V6 PolarHBondContact O-N 3.48Å; V6-Y10 VanDerWaalsContact O-CB 3.23Å; V6-Y10 WeakPolarHBondContact O-CB 3.3Å; V6-Y10 PolarHBondContact O-N 3.33Å; V6-L169 HydrophobicContact CG1-CD2 4.28Å; V6-A174 HydrophobicContact CG1-CB 4.14Å; V6-V175 HydrophobicContact CG2-CG2 4.14Å; V6-I178 HydrophobicContact CG2-CD1 4.29Å
7L47.8Very low45.1Very low25 Ų2540.9 Ų40.913%0.13121%0.212CC..Hα-helixtrans-65.3-49.7-179.9-150.999.9000111.9F3 I4 K9 Y10 V11 E47 C73 V171F3-L7 WeakPolarHBondContact O-CB 3.48Å; F3-L7 PolarHBondContact O-N 2.84Å; I4-L7 PolarHBondContact O-N 3.31Å; L7-K9 VanDerWaalsContact C-N 3.33Å; L7-K9 PolarHBondContact O-N 3.47Å; L7-Y10 WeakPolarHBondContact O-CB 3.44Å; L7-Y10 PolarHBondContact O-N 3.21Å; L7-Y10 VanDerWaalsContact O-N 3.13Å; L7-V11 WeakPolarHBondContact O-CG2 3.2Å; L7-V11 PolarHBondContact O-N 2.92Å; L7-E47 HydrophobicContact CD1-CG 4.35Å; L7-E47 VanDerWaalsContact CD2-CD 3.49Å; L7-E47 HydrophobicContact CD2-CG 4.28Å; L7-E47 VanDerWaalsContact CD2-OE2 3.23Å; L7-E47 WeakPolarHBondContact CD2-OE2 3.43Å; L7-C73 HydrophobicContact CD1-CB 3.92Å; L7-V171 HydrophobicContact CD1-CB 4.35Å; L7-V171 HydrophobicContact CD1-CG1 4.07Å; L7-V171 HydrophobicContact CD1-CG2 3.41Å; L7-V171 VanDerWaalsContact CD1-CG2 3.41Å
8F48Very low45.2Very low105 Ų10540.9 Ų40.946%0.46121%0.212SC..Hα-helixtrans-66.2-36.1-177.5-151.8-95.4000111.8I4 N12I4-F8 WeakPolarHBondContact O-CB 3.23Å; I4-F8 PolarHBondContact O-N 2.84Å; F8-N12 WeakPolarHBondContact CD1-ND2 3.34Å; F8-N12 WeakPolarHBondContact CE1-ND2 3.24Å; F8-N12 VanDerWaalsContact O-CB 3.29Å; F8-N12 WeakPolarHBondContact O-CB 3.44Å; F8-N12 PolarHBondContact O-N 2.91Å; F8-N12 PolarHBondContact O-ND2 3.01Å
9K52.4Low44.8Very low33 Ų3342.9 Ų42.914%0.14324%0.243CC..Hα-helixtrans-70.9-36.6172.3-72.3-112.6-176.8179.60112C5 L7 W13 L202 M325C5-K9 WeakPolarHBondContact O-CB 3.42Å; C5-K9 WeakPolarHBondContact O-CG 3.49Å; C5-K9 PolarHBondContact O-N 3.18Å; L7-K9 VanDerWaalsContact C-N 3.33Å; L7-K9 PolarHBondContact O-N 3.47Å; K9-W13 WeakPolarHBondContact O-CB 3.48Å; K9-W13 PolarHBondContact O-N 3.34Å; K9-L202 HydrophobicContact CD-CB 4.43Å; K9-L202 HydrophobicContact CD-CD2 4.14Å; K9-L202 VanDerWaalsContact CD-O 3.3Å; K9-L202 WeakPolarHBondContact CD-O 3.37Å; K9-L202 WeakPolarHBondContact CE-O 3.35Å; K9-M325 VanDerWaalsContact NZ-CE 3.32Å
10Y50Low44.8Very low0 Ų041.8 Ų41.80%024%0.237CC..Hα-helixtrans-60.1-51.2173.5-172.4-95.6000110.3V6 L7 W13 C14 C73 L75 R95 E152 C167 L169V6-Y10 VanDerWaalsContact O-CB 3.23Å; V6-Y10 WeakPolarHBondContact O-CB 3.3Å; V6-Y10 PolarHBondContact O-N 3.33Å; L7-Y10 WeakPolarHBondContact O-CB 3.44Å; L7-Y10 PolarHBondContact O-N 3.21Å; L7-Y10 VanDerWaalsContact O-N 3.13Å; Y10-W13 PolarHBondContact O-N 3Å; Y10-C14 WeakPolarHBondContact O-CB 3.39Å; Y10-C14 PolarHBondContact O-N 2.92Å; Y10-C14 PolarHBondContact O-SG 2.95Å; Y10-C73 HydrophobicContact CD1-CB 4.15Å; Y10-C73 VanDerWaalsContact CD1-SG 3.52Å; Y10-C73 HydrophobicContact CE1-CB 4.23Å; Y10-L75 HydrophobicContact CE1-CB 4.44Å; Y10-R95 VanDerWaalsContact CE2-NH2 3.31Å; Y10-E152 VanDerWaalsContact CE2-OE1 3.27Å; Y10-E152 WeakPolarHBondContact CE2-OE1 3.45Å; Y10-E152 PolarHBondContact OH-OE1 3.12Å; Y10-C167 VanDerWaalsContact OH-CB 3.3Å; Y10-C167 WeakPolarHBondContact OH-CB 3.45Å; Y10-L169 HydrophobicContact CD1-CD2 4.41Å; Y10-L169 HydrophobicContact CD2-CB 4.46Å; Y10-L169 HydrophobicContact CD2-CD2 3.4Å; Y10-L169 HydrophobicContact CD2-CG 4.49Å; Y10-L169 HydrophobicContact CE2-CB 3.92Å; Y10-L169 HydrophobicContact CE2-CD2 3.72Å; Y10-L169 HydrophobicContact CE2-CG 4.38Å; Y10-L169 HydrophobicContact CG-CD2 3.76Å
11V48.2Very low44.5Very low20 Ų2049.3 Ų49.312%0.12127%0.268CS..Hα-helixtrans-61.4-49.6177.8-1790000111.4L7 W13 C14 L15 V45L7-V11 WeakPolarHBondContact O-CG2 3.2Å; L7-V11 PolarHBondContact O-N 2.92Å; V11-W13 VanDerWaalsContact C-N 3.29Å; V11-W13 PolarHBondContact O-N 2.96Å; V11-C14 WeakPolarHBondContact O-CB 3.48Å; V11-C14 PolarHBondContact O-N 3.42Å; V11-L15 HydrophobicContact CG1-CD1 4.01Å; V11-L15 HydrophobicContact CG1-CG 4.5Å; V11-L15 WeakPolarHBondContact O-CG 3.32Å; V11-L15 PolarHBondContact O-N 3.15Å; V11-V45 HydrophobicContact CG2-CG1 4.11Å
12N50.7Low44.7Very low74 Ų7445.7 Ų45.740%0.39625%0.251SS..Hα-helixtrans-63-32.9177.4-83.6-29.9000113.8F8 L15 S16F8-N12 WeakPolarHBondContact CD1-ND2 3.34Å; F8-N12 WeakPolarHBondContact CE1-ND2 3.24Å; F8-N12 VanDerWaalsContact O-CB 3.29Å; F8-N12 WeakPolarHBondContact O-CB 3.44Å; F8-N12 PolarHBondContact O-N 2.91Å; F8-N12 PolarHBondContact O-ND2 3.01Å; N12-L15 WeakPolarHBondContact O-CB 3.46Å; N12-L15 PolarHBondContact O-N 3.32Å; N12-L15 WeakPolarHBondContact OD1-CD1 3.42Å; N12-S16 PolarHBondContact O-N 3.19Å; N12-S16 PolarHBondContact O-OG 2.08Å
13W52.8Low44.7Very low7 Ų750 Ų503%0.02727%0.269CS..Hα-helixtrans-68.6-47.4173.2-178.174.8000110.9K9 Y10 V11 L15 S16 T17 L91 R94 R95 W98 M328 I330K9-W13 WeakPolarHBondContact O-CB 3.48Å; K9-W13 PolarHBondContact O-N 3.34Å; Y10-W13 PolarHBondContact O-N 3Å; V11-W13 VanDerWaalsContact C-N 3.29Å; V11-W13 PolarHBondContact O-N 2.96Å; W13-L15 PolarHBondContact O-N 3.37Å; W13-S16 PolarHBondContact O-N 3.29Å; W13-S16 VanDerWaalsContact O-N 3.1Å; W13-S16 PolarHBondContact O-OG 3.24Å; W13-T17 VanDerWaalsContact CD2-OG1 3.28Å; W13-T17 HydrophobicContact CH2-CG2 4.01Å; W13-T17 HydrophobicContact CZ2-CG2 3.81Å; W13-T17 PolarHBondContact NE1-OG1 3.12Å; W13-T17 VanDerWaalsContact O-CB 3.27Å; W13-T17 WeakPolarHBondContact O-CB 3.43Å; W13-T17 PolarHBondContact O-N 3.08Å; W13-T17 PolarHBondContact O-OG1 2.61Å; W13-L91 HydrophobicContact CH2-CD1 4.32Å; W13-L91 HydrophobicContact CZ3-CD1 4.19Å; W13-R94 HydrophobicContact CH2-CB 3.7Å; W13-R94 HydrophobicContact CZ2-CB 3.63Å; W13-R95 HydrophobicContact CH2-CG 3.94Å; W13-R95 HydrophobicContact CZ3-CG 4.06Å; W13-W98 AromaticContact CD1-CD1 3.79Å; W13-W98 AromaticContact CG-CD1 3.93Å; W13-W98 AromaticContact NE1-CD1 3.86Å; W13-M328 HydrophobicContact CG-SD 4.23Å; W13-M328 PolarHBondContact NE1-SD 2.85Å; W13-M328 VanDerWaalsContact NE1-SD 3.44Å; W13-I330 HydrophobicContact CZ2-CD1 4.36Å; W13-I330 VanDerWaalsContact NE1-CD1 3.32Å
14C46.2Very low44.8Very low3 Ų352.5 Ų52.52%0.0228%0.281CS..Hα-helixtrans-55.4-37.9174.8-65.50000111.7Y10 V11 L75Y10-C14 WeakPolarHBondContact O-CB 3.39Å; Y10-C14 PolarHBondContact O-N 2.92Å; Y10-C14 PolarHBondContact O-SG 2.95Å; V11-C14 WeakPolarHBondContact O-CB 3.48Å; V11-C14 PolarHBondContact O-N 3.42Å; C14-L75 HydrophobicContact CB-CD1 3.42Å; C14-L75 VanDerWaalsContact CB-CD1 3.42Å; C14-L75 WeakPolarHBondContact SG-CD1 3.43Å
15L44.5Very low44.6Very low52 Ų5250.2 Ų50.227%0.27227%0.274SS..Hα-helixtrans-64-48.2173.9-71.1164.4000112.9V11 N12 W13 V22V11-L15 HydrophobicContact CG1-CD1 4.01Å; V11-L15 HydrophobicContact CG1-CG 4.5Å; V11-L15 WeakPolarHBondContact O-CG 3.32Å; V11-L15 PolarHBondContact O-N 3.15Å; N12-L15 WeakPolarHBondContact O-CB 3.46Å; N12-L15 PolarHBondContact O-N 3.32Å; N12-L15 WeakPolarHBondContact OD1-CD1 3.42Å; W13-L15 PolarHBondContact O-N 3.37Å; L15-V22 HydrophobicContact CD2-CB 3.24Å; L15-V22 HydrophobicContact CD2-CG1 3.93Å; L15-V22 HydrophobicContact CD2-CG2 3.31Å; L15-V22 HydrophobicContact CG-CB 4.36Å; L15-V22 HydrophobicContact CG-CG2 4.1Å
16S46.2Very low44Very low74 Ų7457 Ų5752%0.51731%0.31SS..Hα-helixtrans-77.9-29-173.368.60000113.7N12 W13 L18N12-S16 PolarHBondContact O-N 3.19Å; N12-S16 PolarHBondContact O-OG 2.08Å; W13-S16 PolarHBondContact O-N 3.29Å; W13-S16 VanDerWaalsContact O-N 3.1Å; W13-S16 PolarHBondContact O-OG 3.24Å; S16-L18 PolarHBondContact O-N 3.39Å
17T44.6Very low43Very low2 Ų261.2 Ų61.21%0.01234%0.339CS..Hα-helixtrans-77.9-26.1-163.3-53.50000113.5W13 R94 I330W13-T17 VanDerWaalsContact CD2-OG1 3.28Å; W13-T17 HydrophobicContact CH2-CG2 4.01Å; W13-T17 HydrophobicContact CZ2-CG2 3.81Å; W13-T17 PolarHBondContact NE1-OG1 3.12Å; W13-T17 VanDerWaalsContact O-CB 3.27Å; W13-T17 WeakPolarHBondContact O-CB 3.43Å; W13-T17 PolarHBondContact O-N 3.08Å; W13-T17 PolarHBondContact O-OG1 2.61Å; T17-R94 HydrophobicContact CG2-CB 4.47Å; T17-R94 HydrophobicContact CG2-CG 4.42Å; T17-R94 PolarHBondContact O-NH1 2.95Å; T17-I330 HydrophobicContact CG2-CD1 3.31Å; T17-I330 HydrophobicContact CG2-CG2 4.32Å; T17-I330 WeakPolarHBondContact OG1-CD1 3.42Å
18L46.3Very low42.1Very low41 Ų4165.5 Ų65.522%0.21537%0.366CS..SBendtrans-123.76.6-168.2-78159.4000114S16 V20 M43 L91S16-L18 PolarHBondContact O-N 3.39Å; L18-V20 HydrophobicContact CB-CG2 4.04Å; L18-V20 VanDerWaalsContact O-CG2 3.29Å; L18-V20 WeakPolarHBondContact O-CG2 3.45Å; L18-V20 PolarHBondContact O-N 3.25Å; L18-V20 VanDerWaalsContact O-N 3.12Å; L18-M43 HydrophobicContact CB-CE 3.57Å; L18-M43 HydrophobicContact CD1-CE 3.12Å; L18-M43 HydrophobicContact CD1-SD 4.47Å; L18-M43 HydrophobicContact CG-CE 3.87Å; L18-L91 HydrophobicContact CD1-CD1 3.86Å
19G38.6Very low41Very low78 Ų7865.8 Ų65.880%0.80438%0.38SS*.  trans63.217178.200000114.2
20V43.7Very low39.8Very low20 Ų2071.7 Ų71.712%0.12141%0.408CS..  trans-96.7133.6-173.1-178.30000110.7L18 V22 M43L18-V20 HydrophobicContact CB-CG2 4.04Å; L18-V20 VanDerWaalsContact O-CG2 3.29Å; L18-V20 WeakPolarHBondContact O-CG2 3.45Å; L18-V20 PolarHBondContact O-N 3.25Å; L18-V20 VanDerWaalsContact O-N 3.12Å; V20-V22 PolarHBondContact O-N 3.46Å; V20-V22 VanDerWaalsContact O-N 3.09Å; V20-M43 HydrophobicContact CG2-CE 4.18Å
21K40.3Very low39Very low201 Ų20181.3 Ų81.387%0.87445%0.446SS*.  trans-63.9107.3167.1-73.8179.7-179.7173.70109.5
22V38.8Very low38.2Very low29 Ų2984.8 Ų84.818%0.17646%0.463CS..  trans-86136.9172172.40000109.2L15 V20 M43L15-V22 HydrophobicContact CD2-CB 3.24Å; L15-V22 HydrophobicContact CD2-CG1 3.93Å; L15-V22 HydrophobicContact CD2-CG2 3.31Å; L15-V22 HydrophobicContact CG-CB 4.36Å; L15-V22 HydrophobicContact CG-CG2 4.1Å; V20-V22 PolarHBondContact O-N 3.46Å; V20-V22 VanDerWaalsContact O-N 3.09Å; V22-M43 HydrophobicContact CG2-CB 4.46Å
23K40Very low37.3Very low112 Ų11290.9 Ų90.949%0.48749%0.486SS..  trans-99.8102.5169-160.3169.2-178170.70108.1S25 L32 S34K23-S25 PolarHBondContact O-N 3.24Å; K23-L32 HydrophobicContact CD-CD1 3.82Å; K23-L32 HydrophobicContact CG-CD1 3.88Å; K23-S34 PolarHBondContact NZ-OG 2.87Å
24E35Very low36.7Very low114 Ų11492.2 Ų92.253%0.53350%0.496SS..  trans-65.2121174.2-77.3-173.8154.800109.9
25S34Very low36.1Very low58 Ų5897.6 Ų97.641%0.40653%0.534SS..  trans-106.276.4172.3170.70000108.8K23 S27K23-S25 PolarHBondContact O-N 3.24Å; S25-S27 PolarHBondContact O-N 2.9Å
26L28.5Very low36.1Very low150 Ų150102.6 Ų102.679%0.78556%0.555SS**  trans-74.876.2168.7-83.6154.9000109.7
27S27.2Very low36.4Very low88 Ų88103.8 Ų103.862%0.61557%0.57SS**SBendtrans155.4136.8148.462.90000111S25S25-S27 PolarHBondContact O-N 2.9Å
28T27.2Very low37.3Very low115 Ų115107.8 Ų107.871%0.70659%0.594SS**SBendtrans40.2103.615634.50000118.3Q30T28-Q30 PolarHBondContact O-N 2.97Å
29C26.5Very low38.5Very low110 Ų110113.9 Ų113.974%0.74362%0.622SS**SBendtrans27.745.2143.1-70.60000118.3R46C29-R46 PolarHBondContact SG-NH2 3.17Å
30Q26.7Very low40.3Very low158 Ų158112.8 Ų112.874%0.73860%0.599SS**  trans-131.1104.8167.3-75-171.7-13.800105.4T28 L32T28-Q30 PolarHBondContact O-N 2.97Å; Q30-L32 PolarHBondContact O-N 2.93Å
31Y33.1Very low42.1Very low202 Ų202114.7 Ų114.779%0.79261%0.612SS**  trans-39.5118.5155.3-81.9-97.6000106.5K33Y31-K33 PolarHBondContact O-N 2.8Å
32L32.4Very low44Very low92 Ų92107.4 Ų107.448%0.48258%0.579SS.*  trans-62.483.2170.4-85.5157.2000107.1K23 Q30 S34K23-L32 HydrophobicContact CD-CD1 3.82Å; K23-L32 HydrophobicContact CG-CD1 3.88Å; Q30-L32 PolarHBondContact O-N 2.93Å; L32-S34 PolarHBondContact O-N 3.05Å
33K31.6Very low46Very low203 Ų203106.3 Ų106.388%0.88357%0.572SS**  trans-68.846.3159.5-84.6-170.6172.7-177.10109.1Y31 S35Y31-K33 PolarHBondContact O-N 2.8Å; K33-S35 VanDerWaalsContact C-N 3.33Å; K33-S35 PolarHBondContact O-N 2.87Å
34S39.4Very low48Very low34 Ų34103.9 Ų103.924%0.23856%0.564CS.*  trans-83.889.1163.262.90000106.7K23 L32 H36K23-S34 PolarHBondContact NZ-OG 2.87Å; L32-S34 PolarHBondContact O-N 3.05Å; S34-H36 PolarHBondContact O-N 2.59Å
35S34.3Very low50.2Low116 Ų11699.5 Ų99.581%0.81155%0.545SS*.SBendtrans26.313.2131.547.10000122.7K33K33-S35 VanDerWaalsContact C-N 3.33Å; K33-S35 PolarHBondContact O-N 2.87Å
36H43.3Very low52.5Low157 Ų157102.5 Ų102.573%0.72755%0.548SS*.SBendtrans-127.2118.6166.4-68.5-13.5000106S34 V38S34-H36 PolarHBondContact O-N 2.59Å; H36-V38 PolarHBondContact O-N 2.74Å
37A52.8Low55.2Low100 Ų100100.7 Ų100.783%0.82654%0.535SS*.  trans-55.9107.9172.200000107.3E39A37-E39 PolarHBondContact O-N 3.06Å; A37-E39 VanDerWaalsContact O-N 3.1Å
38V62.9Low58Low85 Ų8597.5 Ų97.552%0.51552%0.516SS..  trans-71.5108.3173.7-173.80000105.1H36 V40 Y42H36-V38 PolarHBondContact O-N 2.74Å; V38-V40 PolarHBondContact O-N 2.91Å; V38-Y42 HydrophobicContact CB-CD1 4.12Å; V38-Y42 HydrophobicContact CB-CG 4.21Å; V38-Y42 VanDerWaalsContact CG1-CB 3.41Å; V38-Y42 HydrophobicContact CG1-CD1 3.79Å; V38-Y42 HydrophobicContact CG1-CD2 4.18Å; V38-Y42 HydrophobicContact CG1-CG 3.54Å
39E73.2Confident60.9Low169 Ų16996.7 Ų96.779%0.7951%0.511SS*.PPolyproline II helixtrans-63.1136.3177.2-73.1-176.3169.700109.5A37A37-E39 PolarHBondContact O-N 3.06Å; A37-E39 VanDerWaalsContact O-N 3.1Å
40V76.1Confident64Low55 Ų5595.9 Ų95.933%0.33349%0.492SS..SBendtrans-70.9136173.7174.20000108.6V38 Y42 R80V38-V40 PolarHBondContact O-N 2.91Å; V40-Y42 HydrophobicContact CG2-CD1 3.99Å; V40-Y42 HydrophobicContact CG2-CE1 3.85Å; V40-R80 HydrophobicContact CG1-CG 4Å; V40-R80 VanDerWaalsContact CG1-N 3.31Å
41P81Confident67.2Low61 Ų6199 Ų9940%0.39650%0.497SS..SBendcis-87141.89.933.1-34.6000115Y77 F78P41-Y77 HydrophobicContact CB-CE2 3.75Å; P41-Y77 WeakPolarHBondContact CB-OH 3.32Å; P41-F78 CarbonylContact C-O 3.56Å; P41-F78 VanDerWaalsContact CA-O 3.25Å; P41-F78 WeakPolarHBondContact CA-O 3.25Å
42Y79.8Confident69.8Low47 Ų4790.3 Ų90.318%0.18446%0.464CS..EExtended strand (participates in β ladder)trans-144.7164.1175.372.6-93.6000113.8V38 V40 I44 Y77 F78V38-Y42 HydrophobicContact CB-CD1 4.12Å; V38-Y42 HydrophobicContact CB-CG 4.21Å; V38-Y42 VanDerWaalsContact CG1-CB 3.41Å; V38-Y42 HydrophobicContact CG1-CD1 3.79Å; V38-Y42 HydrophobicContact CG1-CD2 4.18Å; V38-Y42 HydrophobicContact CG1-CG 3.54Å; V40-Y42 HydrophobicContact CG2-CD1 3.99Å; V40-Y42 HydrophobicContact CG2-CE1 3.85Å; Y42-I44 HydrophobicContact CD2-CG1 4.34Å; Y42-I44 HydrophobicContact CE2-CD1 4.12Å; Y42-I44 HydrophobicContact CE2-CG1 4.12Å; Y42-Y77 WeakPolarHBondContact O-CD2 3.31Å; Y42-F78 HydrophobicContact CD1-CB 4.06Å; Y42-F78 HydrophobicContact CD2-CB 4.35Å; Y42-F78 AromaticContact CD2-CD2 3.97Å; Y42-F78 HydrophobicContact CD2-CD2 3.97Å; Y42-F78 HydrophobicContact CD2-CG 4.48Å; Y42-F78 HydrophobicContact CE1-CB 3.67Å; Y42-F78 HydrophobicContact CE1-CG 4.14Å; Y42-F78 HydrophobicContact CE2-CB 4Å; Y42-F78 AromaticContact CE2-CD2 3.32Å; Y42-F78 HydrophobicContact CE2-CD2 3.32Å; Y42-F78 AromaticContact CE2-CE2 3.95Å; Y42-F78 HydrophobicContact CE2-CE2 3.95Å; Y42-F78 AromaticContact CE2-CG 3.77Å; Y42-F78 HydrophobicContact CE2-CG 3.77Å; Y42-F78 HydrophobicContact CG-CB 4.37Å; Y42-F78 AromaticContact CZ-CD2 3.64Å; Y42-F78 AromaticContact CZ-CG 3.56Å; Y42-F78 PolarHBondContact N-O 3.35Å; Y42-F78 PolarHBondContact O-N 2.82Å
43M80.6Confident72.4Confident6 Ų688 Ų883%0.0346%0.456CS..EExtended strand (participates in β ladder)trans-127.8147.6179.6-69.2175.9-163.300113.6L18 V20 V22 L75 Y76 Y77L18-M43 HydrophobicContact CB-CE 3.57Å; L18-M43 HydrophobicContact CD1-CE 3.12Å; L18-M43 HydrophobicContact CD1-SD 4.47Å; L18-M43 HydrophobicContact CG-CE 3.87Å; V20-M43 HydrophobicContact CG2-CE 4.18Å; V22-M43 HydrophobicContact CG2-CB 4.46Å; M43-L75 HydrophobicContact SD-CD1 3.86Å; M43-L75 HydrophobicContact SD-CD2 4.4Å; M43-L75 HydrophobicContact SD-CG 4.4Å; M43-Y76 CarbonylContact C-O 3.48Å; M43-Y76 VanDerWaalsContact CA-O 3.25Å; M43-Y76 WeakPolarHBondContact CA-O 3.41Å; M43-Y77 HydrophobicContact CE-CD1 4.43Å; M43-Y77 HydrophobicContact CE-CD2 3.32Å; M43-Y77 HydrophobicContact CE-CE2 3.5Å; M43-Y77 VanDerWaalsContact CE-CE2 3.5Å; M43-Y77 HydrophobicContact CE-CG 3.83Å; M43-Y77 HydrophobicContact CG-CD2 3.48Å; M43-Y77 VanDerWaalsContact CG-CD2 3.48Å; M43-Y77 HydrophobicContact CG-CE2 4.23Å; M43-Y77 HydrophobicContact CG-CG 4.2Å; M43-Y77 HydrophobicContact SD-CD2 4.3Å
44I82.2Confident75Confident61 Ų6187.8 Ų87.831%0.31346%0.455SS..EExtended strand (participates in β ladder)trans-121.1126.4168.3-56.7177.7000107.7Y42 L75 Y76 F78Y42-I44 HydrophobicContact CD2-CG1 4.34Å; Y42-I44 HydrophobicContact CE2-CD1 4.12Å; Y42-I44 HydrophobicContact CE2-CG1 4.12Å; I44-L75 WeakPolarHBondContact O-CA 3.24Å; I44-Y76 PolarHBondContact N-O 3.24Å; I44-Y76 PolarHBondContact O-N 2.96Å; I44-F78 HydrophobicContact CD1-CE2 3.95Å; I44-F78 HydrophobicContact CG1-CE2 4.28Å
45V81.7Confident77.1Confident23 Ų2389.4 Ų89.414%0.13947%0.466CS..EExtended strand (participates in β ladder)trans-109.9135.1173.4-174.90000109V11 D74 L75V11-V45 HydrophobicContact CG2-CG1 4.11Å; V45-D74 CarbonylContact C-O 3.53Å; V45-D74 VanDerWaalsContact CA-O 3.32Å; V45-D74 WeakPolarHBondContact CA-O 3.41Å; V45-L75 HydrophobicContact CG2-CD1 4.19Å; V45-L75 HydrophobicContact CG2-CG 4.4Å
46R83Confident79.6Confident120 Ų12084 Ų8445%0.45343%0.428SS..EExtended strand (participates in β ladder)trans-136130.7-178.8-179-178.6178.9-176.82110.4C29 C73 D74 Y76C29-R46 PolarHBondContact SG-NH2 3.17Å; R46-C73 WeakPolarHBondContact O-CA 3.34Å; R46-D74 PolarHBondContact N-O 3.03Å; R46-D74 PolarHBondContact O-N 3.2Å; R46-Y76 HydrophobicContact CB-CE2 4.46Å
47E83.5Confident81.8Confident113 Ų11381.6 Ų81.653%0.52842%0.415SS..EExtended strand (participates in β ladder)trans-94.2141.6164-167.9179.5177.300109.9L7 T71 Y72L7-E47 HydrophobicContact CD1-CG 4.35Å; L7-E47 VanDerWaalsContact CD2-CD 3.49Å; L7-E47 HydrophobicContact CD2-CG 4.28Å; L7-E47 VanDerWaalsContact CD2-OE2 3.23Å; L7-E47 WeakPolarHBondContact CD2-OE2 3.43Å; E47-T71 HydrophobicContact CG-CG2 3.86Å; E47-T71 WeakPolarHBondContact OE1-CG2 3.4Å; E47-Y72 WeakPolarHBondContact CA-O 3.3Å
48G86.4Confident83.5Confident20 Ų2082.6 Ų82.621%0.20641%0.411CS..EExtended strand (participates in β ladder)trans-161.3168.1176.800000112.7T71 Y72G48-T71 CarbonylContact O-C 3.48Å; G48-T71 WeakPolarHBondContact O-CA 3.5Å; G48-Y72 PolarHBondContact N-O 3.39Å; G48-Y72 PolarHBondContact O-N 3.38Å
49V89.5Confident84.6Confident99 Ų9979.5 Ų79.560%0.639%0.394SS*.EExtended strand (participates in β ladder)trans-111.6132.4177.9-179.80000109.1T69 C70V49-T69 HydrophobicContact CG1-CG2 4.05Å; V49-C70 WeakPolarHBondContact CA-O 3.33Å
50R91.6Very high85.4Confident92 Ų9271.5 Ų71.535%0.34736%0.357SS..EExtended strand (participates in β ladder)trans-130.3159.5-180-56.5176.4-178169.3-10110.7I52 T69 C70 Y72 D74 S168R50-I52 PolarHBondContact O-N 2.74Å; R50-T69 CarbonylContact O-C 3.55Å; R50-T69 WeakPolarHBondContact O-CA 3.34Å; R50-T69 WeakPolarHBondContact O-CB 3.44Å; R50-C70 PolarHBondContact N-O 2.92Å; R50-C70 PolarHBondContact O-N 2.86Å; R50-Y72 HydrophobicContact CB-CD2 3.71Å; R50-Y72 HydrophobicContact CB-CE2 3.77Å; R50-Y72 HydrophobicContact CG-CD2 3.84Å; R50-Y72 HydrophobicContact CG-CE2 4.33Å; R50-Y72 HydrophobicContact CG-CG 4.35Å; R50-D74 IonicContact CZ-OD1 3.47Å; R50-D74 VanDerWaalsContact CZ-OD1 3.22Å; R50-D74 IonicContact CZ-OD2 3.5Å; R50-D74 IonicContact NE-OD2 3.15Å; R50-D74 IonicContact NH1-OD1 2.83Å; R50-D74 PolarHBondContact NH1-OD1 3.43Å; R50-D74 IonicContact NH2-OD1 3.39Å; R50-D74 PolarHBondContact NH2-OD1 3.43Å; R50-D74 IonicContact NH2-OD2 2.72Å; R50-D74 PolarHBondContact NH2-OD2 3.43Å; R50-S168 PolarHBondContact NH1-OG 2.94Å
51R92.8Very high86.1Confident224 Ų22470.5 Ų70.585%0.84535%0.352SS*.EExtended strand (participates in β ladder)trans-63.3136.4171.6-74.3-176.5178.8172.30.4110.2
52I88.3Confident86.4Confident20 Ų2071.8 Ų71.810%0.10337%0.368CS..PPolyproline II helixtrans-64.4140.3177.7-168.5166.4000111R50 L56 K57 L60 V67 S68R50-I52 PolarHBondContact O-N 2.74Å; I52-L56 HydrophobicContact CD1-CB 4.27Å; I52-L56 HydrophobicContact CG1-CB 4.01Å; I52-K57 HydrophobicContact CD1-CB 4.27Å; I52-K57 HydrophobicContact CG1-CB 4.39Å; I52-K57 HydrophobicContact CG2-CB 4.05Å; I52-K57 HydrophobicContact CG2-CD 4.15Å; I52-K57 HydrophobicContact CG2-CG 3.93Å; I52-L60 HydrophobicContact CD1-CB 3.77Å; I52-L60 HydrophobicContact CD1-CD1 3.56Å; I52-L60 HydrophobicContact CD1-CG 4.03Å; I52-L60 HydrophobicContact CG1-CD1 4.32Å; I52-V67 HydrophobicContact CD1-CG2 4Å; I52-S68 WeakPolarHBondContact CG2-O 3.47Å; I52-S68 PolarHBondContact N-O 2.83Å; I52-S68 VanDerWaalsContact N-O 3.09Å
53S86.4Confident86.7Confident43 Ų4373.1 Ų73.130%0.30138%0.375SS..PPolyproline II helixtrans-67.6150.7173.972.10000110.8S55 L56 K57S53-S55 PolarHBondContact O-N 3.15Å; S53-S55 PolarHBondContact OG-OG 3.23Å; S53-L56 PolarHBondContact O-N 3.07Å; S53-L56 WeakPolarHBondContact OG-CB 3.32Å; S53-L56 WeakPolarHBondContact OG-CG 3.43Å; S53-L56 PolarHBondContact OG-N 3.14Å; S53-K57 PolarHBondContact O-N 3.13Å
54K85.8Confident87.1Confident198 Ų19876.8 Ų76.886%0.86139%0.389SS*.Hα-helixtrans-58.7-35.6178.3-71-176.4-180178.90112.3
55S82.9Confident87.5Confident68 Ų6875.2 Ų75.248%0.47639%0.388SS..Hα-helixtrans-68.1-37.9179.349.40000112.7S53S53-S55 PolarHBondContact O-N 3.15Å; S53-S55 PolarHBondContact OG-OG 3.23Å
56L87.8Confident87.9Confident4 Ų480.8 Ų80.82%0.02143%0.425CS..Hα-helixtrans-83-24179.3-71.3171.4000113.2I52 S53 V58 A59 L60 L149 A173 F177I52-L56 HydrophobicContact CD1-CB 4.27Å; I52-L56 HydrophobicContact CG1-CB 4.01Å; S53-L56 PolarHBondContact O-N 3.07Å; S53-L56 WeakPolarHBondContact OG-CB 3.32Å; S53-L56 WeakPolarHBondContact OG-CG 3.43Å; S53-L56 PolarHBondContact OG-N 3.14Å; L56-V58 VanDerWaalsContact C-N 3.32Å; L56-V58 PolarHBondContact O-N 3.4Å; L56-A59 PolarHBondContact O-N 3.32Å; L56-A59 VanDerWaalsContact O-N 3.17Å; L56-L60 HydrophobicContact CB-CD1 4.15Å; L56-L60 HydrophobicContact CB-CG 4.27Å; L56-L60 WeakPolarHBondContact O-CG 3.43Å; L56-L60 PolarHBondContact O-N 3.3Å; L56-L149 HydrophobicContact CD2-CB 3.91Å; L56-L149 HydrophobicContact CD2-CD2 4.28Å; L56-A173 HydrophobicContact CD1-CB 4.36Å; L56-A173 HydrophobicContact CD2-CB 4.36Å; L56-F177 HydrophobicContact CD2-CE2 3.99Å; L56-F177 HydrophobicContact CD2-CZ 3.85Å
57K89.8Confident88.2Confident105 Ų10576.6 Ų76.646%0.45741%0.413SS..Hα-helixtrans-54.4-45.3-171.7-168.6174.8-177.6-177.60113.5I52 S53 S61I52-K57 HydrophobicContact CD1-CB 4.27Å; I52-K57 HydrophobicContact CG1-CB 4.39Å; I52-K57 HydrophobicContact CG2-CB 4.05Å; I52-K57 HydrophobicContact CG2-CD 4.15Å; I52-K57 HydrophobicContact CG2-CG 3.93Å; S53-K57 PolarHBondContact O-N 3.13Å; K57-S61 WeakPolarHBondContact O-CB 3.33Å; K57-S61 PolarHBondContact O-N 3.43Å; K57-S61 PolarHBondContact O-OG 3.23Å
58V87.4Confident88.6Confident121 Ų12175 Ų7573%0.73341%0.414SS*.Hα-helixtrans-65.1-49.3-179.4179.40000110.5L56 S61 A62L56-V58 VanDerWaalsContact C-N 3.32Å; L56-V58 PolarHBondContact O-N 3.4Å; V58-S61 PolarHBondContact O-N 3.16Å; V58-A62 PolarHBondContact O-N 2.9Å
59A87.2Confident88.9Confident20 Ų2077.1 Ų77.117%0.16542%0.423CS..Hα-helixtrans-61.6-53.4-179.300000111.4L56 S61 A62 F63 L149 F177L56-A59 PolarHBondContact O-N 3.32Å; L56-A59 VanDerWaalsContact O-N 3.17Å; A59-S61 VanDerWaalsContact C-N 3.28Å; A59-S61 PolarHBondContact O-N 3.48Å; A59-A62 WeakPolarHBondContact O-CB 3.29Å; A59-A62 PolarHBondContact O-N 3.42Å; A59-F63 VanDerWaalsContact O-CD2 3.31Å; A59-F63 WeakPolarHBondContact O-CD2 3.37Å; A59-F63 PolarHBondContact O-N 3.18Å; A59-L149 HydrophobicContact CB-CD1 3.74Å; A59-F177 HydrophobicContact CB-CE1 4.39Å
60L89.9Confident89Confident1 Ų172.5 Ų72.51%0.00540%0.395CS..Hα-helixtrans-67.6-29.2-177.9-59.2-171.6000112.7I52 L56 A62 F63 Y64 V67 C70 D172 A173 A176 F177I52-L60 HydrophobicContact CD1-CB 3.77Å; I52-L60 HydrophobicContact CD1-CD1 3.56Å; I52-L60 HydrophobicContact CD1-CG 4.03Å; I52-L60 HydrophobicContact CG1-CD1 4.32Å; L56-L60 HydrophobicContact CB-CD1 4.15Å; L56-L60 HydrophobicContact CB-CG 4.27Å; L56-L60 WeakPolarHBondContact O-CG 3.43Å; L56-L60 PolarHBondContact O-N 3.3Å; L60-A62 PolarHBondContact O-N 3.44Å; L60-F63 PolarHBondContact O-N 3.18Å; L60-F63 VanDerWaalsContact O-N 3.16Å; L60-Y64 HydrophobicContact CB-CD2 4.3Å; L60-Y64 HydrophobicContact CD2-CE2 4.32Å; L60-Y64 WeakPolarHBondContact O-CD2 3.48Å; L60-Y64 PolarHBondContact O-N 3.49Å; L60-V67 HydrophobicContact CB-CG2 4.11Å; L60-C70 VanDerWaalsContact CD1-SG 3.5Å; L60-D172 HydrophobicContact CD1-CB 4.15Å; L60-A173 HydrophobicContact CD1-CB 4.31Å; L60-A173 HydrophobicContact CD2-CB 4.31Å; L60-A176 HydrophobicContact CD2-CB 3.74Å; L60-F177 HydrophobicContact CD2-CZ 4.32Å
61S90.3Very high89Confident34 Ų3469.3 Ų69.324%0.23839%0.386CS..Hα-helixtrans-68.1-25.2174-57.50000113.1K57 V58 A59 G65K57-S61 WeakPolarHBondContact O-CB 3.33Å; K57-S61 PolarHBondContact O-N 3.43Å; K57-S61 PolarHBondContact O-OG 3.23Å; V58-S61 PolarHBondContact O-N 3.16Å; A59-S61 VanDerWaalsContact C-N 3.28Å; A59-S61 PolarHBondContact O-N 3.48Å; S61-G65 WeakPolarHBondContact CA-O 3.32Å; S61-G65 CarbonylContact O-C 3.53Å; S61-G65 WeakPolarHBondContact O-CA 3.37Å; S61-G65 PolarHBondContact O-N 2.86Å
62A88Confident88.9Confident88 Ų8860 Ų6073%0.72735%0.351SS*.Hα-helixtrans-71.5-30.5172.800000112.3V58 A59 L60V58-A62 PolarHBondContact O-N 2.9Å; A59-A62 WeakPolarHBondContact O-CB 3.29Å; A59-A62 PolarHBondContact O-N 3.42Å; L60-A62 PolarHBondContact O-N 3.44Å
63F85.9Confident88.9Confident75 Ų7559.1 Ų59.133%0.32935%0.346SS..Hα-helixtrans-82.3-43.1177.7-76.6-87.4000113.2A59 L60 A176 L180A59-F63 VanDerWaalsContact O-CD2 3.31Å; A59-F63 WeakPolarHBondContact O-CD2 3.37Å; A59-F63 PolarHBondContact O-N 3.18Å; L60-F63 PolarHBondContact O-N 3.18Å; L60-F63 VanDerWaalsContact O-N 3.16Å; F63-A176 HydrophobicContact CB-CB 4.33Å; F63-A176 HydrophobicContact CD1-CB 4.08Å; F63-A176 HydrophobicContact CD2-CB 3.84Å; F63-A176 HydrophobicContact CE1-CB 4.39Å; F63-A176 WeakPolarHBondContact CE1-O 3.28Å; F63-A176 HydrophobicContact CE2-CB 4.19Å; F63-A176 HydrophobicContact CG-CB 3.81Å; F63-A176 HydrophobicContact CZ-CB 4.46Å; F63-L180 HydrophobicContact CE1-CB 4.27Å; F63-L180 HydrophobicContact CZ-CB 3.85Å; F63-L180 HydrophobicContact CZ-CD1 4.13Å; F63-L180 HydrophobicContact CZ-CD2 4.14Å; F63-L180 HydrophobicContact CZ-CG 4.26Å
64Y88.5Confident89Confident83 Ų8357.1 Ų57.133%0.32533%0.332SS..Hα-helixtrans-114.32-167.1-55.2-56.8000113.7L60 D172 V175 A176L60-Y64 HydrophobicContact CB-CD2 4.3Å; L60-Y64 HydrophobicContact CD2-CE2 4.32Å; L60-Y64 WeakPolarHBondContact O-CD2 3.48Å; L60-Y64 PolarHBondContact O-N 3.49Å; Y64-D172 HydrophobicContact CE2-CB 4.09Å; Y64-D172 PolarHBondContact OH-O 3.11Å; Y64-D172 VanDerWaalsContact OH-O 3.1Å; Y64-V175 WeakPolarHBondContact OH-CG1 3.31Å; Y64-A176 HydrophobicContact CE2-CB 4.05Å; Y64-A176 PolarHBondContact OH-N 3.18Å
65G90Very high89.2Confident28 Ų2847.8 Ų47.829%0.28929%0.292SS..SBendtrans73.9-170.3-166.900000111.8S61 V67S61-G65 WeakPolarHBondContact CA-O 3.32Å; S61-G65 CarbonylContact O-C 3.53Å; S61-G65 WeakPolarHBondContact O-CA 3.37Å; S61-G65 PolarHBondContact O-N 2.86Å; G65-V67 PolarHBondContact O-N 2.82Å
66P90.9Very high89.4Confident141 Ų14147.2 Ų47.292%0.91628%0.28SS*.SBendtrans-56.5110.1-176.7-24.934.4000112.9
67V89Confident89.3Confident32 Ų3247.7 Ų47.719%0.19428%0.281CS..  trans-120.8140.9179.4-70.50000112.1I52 L60 G65I52-V67 HydrophobicContact CD1-CG2 4Å; L60-V67 HydrophobicContact CB-CG2 4.11Å; G65-V67 PolarHBondContact O-N 2.82Å
68S91.3Very high89.1Confident80 Ų8044.4 Ų44.456%0.55927%0.267SS*.  trans-113.1-16.9177.953.30000114I52I52-S68 WeakPolarHBondContact CG2-O 3.47Å; I52-S68 PolarHBondContact N-O 2.83Å; I52-S68 VanDerWaalsContact N-O 3.09Å
69T93.9Very high89.1Confident63 Ų6339.2 Ų39.239%0.38724%0.236SC..EExtended strand (participates in β ladder)trans-138.8153.5-172.949.70000110.7V49 R50V49-T69 HydrophobicContact CG1-CG2 4.05Å; R50-T69 CarbonylContact O-C 3.55Å; R50-T69 WeakPolarHBondContact O-CA 3.34Å; R50-T69 WeakPolarHBondContact O-CB 3.44Å
70C91.9Very high89Confident2 Ų244.7 Ų44.71%0.01425%0.252CS..EExtended strand (participates in β ladder)trans-128.1149.7170.7-62.70000109.4V49 R50 L60 Y72 D172V49-C70 WeakPolarHBondContact CA-O 3.33Å; R50-C70 PolarHBondContact N-O 2.92Å; R50-C70 PolarHBondContact O-N 2.86Å; L60-C70 VanDerWaalsContact CD1-SG 3.5Å; C70-Y72 HydrophobicContact CB-CD2 4.24Å; C70-Y72 HydrophobicContact CB-CE2 3.75Å; C70-Y72 WeakPolarHBondContact O-CD2 3.35Å; C70-D172 WeakPolarHBondContact CA-OD2 3.47Å; C70-D172 HydrophobicContact CB-CB 4.21Å; C70-D172 WeakPolarHBondContact CB-OD2 3.43Å
71T91.3Very high88.9Confident26 Ų2649.5 Ų49.516%0.1628%0.283CS..EExtended strand (participates in β ladder)trans-75.3131.9164.8-57.50000109.6E47 G48 V171 D172E47-T71 HydrophobicContact CG-CG2 3.86Å; E47-T71 WeakPolarHBondContact OE1-CG2 3.4Å; G48-T71 CarbonylContact O-C 3.48Å; G48-T71 WeakPolarHBondContact O-CA 3.5Å; T71-V171 HydrophobicContact CG2-CB 4.39Å; T71-V171 HydrophobicContact CG2-CG2 4.16Å; T71-V171 PolarHBondContact O-N 2.96Å; T71-D172 PolarHBondContact N-OD2 2.96Å
72Y89.8Confident88.8Confident28 Ų2854.2 Ų54.211%0.1130%0.302CS..EExtended strand (participates in β ladder)trans-119.1141.8175.1-76.6-100.2000109.7E47 G48 R50 C70 L169 N170E47-Y72 WeakPolarHBondContact CA-O 3.3Å; G48-Y72 PolarHBondContact N-O 3.39Å; G48-Y72 PolarHBondContact O-N 3.38Å; R50-Y72 HydrophobicContact CB-CD2 3.71Å; R50-Y72 HydrophobicContact CB-CE2 3.77Å; R50-Y72 HydrophobicContact CG-CD2 3.84Å; R50-Y72 HydrophobicContact CG-CE2 4.33Å; R50-Y72 HydrophobicContact CG-CG 4.35Å; C70-Y72 HydrophobicContact CB-CD2 4.24Å; C70-Y72 HydrophobicContact CB-CE2 3.75Å; C70-Y72 WeakPolarHBondContact O-CD2 3.35Å; Y72-L169 CarbonylContact C-O 3.48Å; Y72-L169 WeakPolarHBondContact CA-O 3.45Å; Y72-N170 HydrophobicContact CD1-CB 4.08Å; Y72-N170 HydrophobicContact CE1-CB 3.57Å; Y72-N170 VanDerWaalsContact CZ-ND2 3.34Å; Y72-N170 PolarHBondContact OH-ND2 3.27Å
73C89.6Confident88.8Confident1 Ų152.9 Ų52.91%0.00728%0.282CS..EExtended strand (participates in β ladder)trans-110117.8164.7-167.70000107.9L7 Y10 R46 L169 V171L7-C73 HydrophobicContact CD1-CB 3.92Å; Y10-C73 HydrophobicContact CD1-CB 4.15Å; Y10-C73 VanDerWaalsContact CD1-SG 3.52Å; Y10-C73 HydrophobicContact CE1-CB 4.23Å; R46-C73 WeakPolarHBondContact O-CA 3.34Å; C73-L169 HydrophobicContact CB-CB 4.37Å; C73-L169 PolarHBondContact N-O 3.4Å; C73-L169 PolarHBondContact O-N 3.47Å; C73-V171 HydrophobicContact CB-CG2 4.2Å
74D88Confident88.9Confident2 Ų249.8 Ų49.81%0.01127%0.27CS..EExtended strand (participates in β ladder)trans-106.8132.2179.7-56.5-59.3000109.7V45 R46 R50 Y76 C167 S168V45-D74 CarbonylContact C-O 3.53Å; V45-D74 VanDerWaalsContact CA-O 3.32Å; V45-D74 WeakPolarHBondContact CA-O 3.41Å; R46-D74 PolarHBondContact N-O 3.03Å; R46-D74 PolarHBondContact O-N 3.2Å; R50-D74 IonicContact CZ-OD1 3.47Å; R50-D74 VanDerWaalsContact CZ-OD1 3.22Å; R50-D74 IonicContact CZ-OD2 3.5Å; R50-D74 IonicContact NE-OD2 3.15Å; R50-D74 IonicContact NH1-OD1 2.83Å; R50-D74 PolarHBondContact NH1-OD1 3.43Å; R50-D74 IonicContact NH2-OD1 3.39Å; R50-D74 PolarHBondContact NH2-OD1 3.43Å; R50-D74 IonicContact NH2-OD2 2.72Å; R50-D74 PolarHBondContact NH2-OD2 3.43Å; D74-Y76 HydrophobicContact CB-CD2 4.42Å; D74-Y76 HydrophobicContact CB-CE2 3.64Å; D74-C167 CarbonylContact C-O 3.56Å; D74-C167 VanDerWaalsContact CA-O 3.31Å; D74-C167 WeakPolarHBondContact CA-O 3.38Å; D74-S168 VanDerWaalsContact OD1-CB 3.31Å; D74-S168 WeakPolarHBondContact OD1-CB 3.15Å; D74-S168 PolarHBondContact OD1-OG 2.95Å
75L89.2Confident88.9Confident2 Ų248 Ų481%0.0128%0.276CS..EExtended strand (participates in β ladder)trans-116.3125.5169.8175151.3000108.6Y10 C14 M43 I44 V45 L91 C166 C167Y10-L75 HydrophobicContact CE1-CB 4.44Å; C14-L75 HydrophobicContact CB-CD1 3.42Å; C14-L75 VanDerWaalsContact CB-CD1 3.42Å; C14-L75 WeakPolarHBondContact SG-CD1 3.43Å; M43-L75 HydrophobicContact SD-CD1 3.86Å; M43-L75 HydrophobicContact SD-CD2 4.4Å; M43-L75 HydrophobicContact SD-CG 4.4Å; I44-L75 WeakPolarHBondContact O-CA 3.24Å; V45-L75 HydrophobicContact CG2-CD1 4.19Å; V45-L75 HydrophobicContact CG2-CG 4.4Å; L75-L91 HydrophobicContact CD2-CD2 4.29Å; L75-C166 CarbonylContact O-C 3.56Å; L75-C166 VanDerWaalsContact O-CA 3.28Å; L75-C166 WeakPolarHBondContact O-CA 3.42Å; L75-C167 HydrophobicContact CB-CB 4.23Å; L75-C167 HydrophobicContact CD2-CB 4.49Å; L75-C167 PolarHBondContact N-O 2.96Å; L75-C167 PolarHBondContact O-N 3.26Å
76Y86.8Confident88.8Confident56 Ų5651 Ų5122%0.2229%0.289CS..EExtended strand (participates in β ladder)trans-108.5117173.8-57.1-90.3000107.9M43 I44 R46 D74 F164 I165 C166M43-Y76 CarbonylContact C-O 3.48Å; M43-Y76 VanDerWaalsContact CA-O 3.25Å; M43-Y76 WeakPolarHBondContact CA-O 3.41Å; I44-Y76 PolarHBondContact N-O 3.24Å; I44-Y76 PolarHBondContact O-N 2.96Å; R46-Y76 HydrophobicContact CB-CE2 4.46Å; D74-Y76 HydrophobicContact CB-CD2 4.42Å; D74-Y76 HydrophobicContact CB-CE2 3.64Å; Y76-F164 HydrophobicContact CD1-CD2 4.1Å; Y76-F164 AromaticContact CD1-CE2 3.62Å; Y76-F164 HydrophobicContact CD1-CE2 3.62Å; Y76-F164 HydrophobicContact CD1-CZ 4.46Å; Y76-F164 HydrophobicContact CE1-CE2 4.15Å; Y76-I165 CarbonylContact C-O 3.53Å; Y76-I165 WeakPolarHBondContact CA-O 3.33Å; Y76-C166 HydrophobicContact CD1-CB 4.28Å; Y76-C166 HydrophobicContact CE1-CB 4.43Å
77Y86.6Confident88.6Confident13 Ų1345.2 Ų45.25%0.05125%0.252CS..EExtended strand (participates in β ladder)trans-109.2113.7178.7-179.2-140.2000110P41 Y42 M43 T79 F164 I165P41-Y77 HydrophobicContact CB-CE2 3.75Å; P41-Y77 WeakPolarHBondContact CB-OH 3.32Å; Y42-Y77 WeakPolarHBondContact O-CD2 3.31Å; M43-Y77 HydrophobicContact CE-CD1 4.43Å; M43-Y77 HydrophobicContact CE-CD2 3.32Å; M43-Y77 HydrophobicContact CE-CE2 3.5Å; M43-Y77 VanDerWaalsContact CE-CE2 3.5Å; M43-Y77 HydrophobicContact CE-CG 3.83Å; M43-Y77 HydrophobicContact CG-CD2 3.48Å; M43-Y77 VanDerWaalsContact CG-CD2 3.48Å; M43-Y77 HydrophobicContact CG-CE2 4.23Å; M43-Y77 HydrophobicContact CG-CG 4.2Å; M43-Y77 HydrophobicContact SD-CD2 4.3Å; Y77-T79 HydrophobicContact CE1-CG2 4.44Å; Y77-F164 WeakPolarHBondContact O-CB 3.4Å; Y77-I165 HydrophobicContact CD1-CD1 3.8Å; Y77-I165 HydrophobicContact CE1-CD1 4.42Å; Y77-I165 PolarHBondContact N-O 3.3Å; Y77-I165 PolarHBondContact O-N 3Å
78F86.5Confident88.6Confident36 Ų3644 Ų4416%0.15824%0.244CC..EExtended strand (participates in β ladder)trans-98.4117.2176.7-62.6-92.6000107.4P41 Y42 I44 F164P41-F78 CarbonylContact C-O 3.56Å; P41-F78 VanDerWaalsContact CA-O 3.25Å; P41-F78 WeakPolarHBondContact CA-O 3.25Å; Y42-F78 HydrophobicContact CD1-CB 4.06Å; Y42-F78 HydrophobicContact CD2-CB 4.35Å; Y42-F78 AromaticContact CD2-CD2 3.97Å; Y42-F78 HydrophobicContact CD2-CD2 3.97Å; Y42-F78 HydrophobicContact CD2-CG 4.48Å; Y42-F78 HydrophobicContact CE1-CB 3.67Å; Y42-F78 HydrophobicContact CE1-CG 4.14Å; Y42-F78 HydrophobicContact CE2-CB 4Å; Y42-F78 AromaticContact CE2-CD2 3.32Å; Y42-F78 HydrophobicContact CE2-CD2 3.32Å; Y42-F78 AromaticContact CE2-CE2 3.95Å; Y42-F78 HydrophobicContact CE2-CE2 3.95Å; Y42-F78 AromaticContact CE2-CG 3.77Å; Y42-F78 HydrophobicContact CE2-CG 3.77Å; Y42-F78 HydrophobicContact CG-CB 4.37Å; Y42-F78 AromaticContact CZ-CD2 3.64Å; Y42-F78 AromaticContact CZ-CG 3.56Å; Y42-F78 PolarHBondContact N-O 3.35Å; Y42-F78 PolarHBondContact O-N 2.82Å; I44-F78 HydrophobicContact CD1-CE2 3.95Å; I44-F78 HydrophobicContact CG1-CE2 4.28Å; F78-F164 HydrophobicContact CD1-CB 3.69Å; F78-F164 HydrophobicContact CD1-CG 4.29Å; F78-F164 HydrophobicContact CE1-CB 3.78Å; F78-F164 AromaticContact CE1-CD1 3.87Å; F78-F164 HydrophobicContact CE1-CD1 3.87Å; F78-F164 AromaticContact CE1-CG 3.85Å; F78-F164 HydrophobicContact CE1-CG 3.85Å; F78-F164 HydrophobicContact CG-CB 4.25Å; F78-F164 HydrophobicContact CZ-CB 4.41Å; F78-F164 HydrophobicContact CZ-CD1 4.46Å; F78-F164 HydrophobicContact CZ-CG 4.26Å
79T86.1Confident88.3Confident13 Ų1344.9 Ų44.98%0.0824%0.242CC..  trans-128.1173.5180-168.60000109.6Y77 D83 V84 I165Y77-T79 HydrophobicContact CE1-CG2 4.44Å; T79-D83 HydrophobicContact CG2-CB 4.44Å; T79-V84 HydrophobicContact CG2-CB 4.3Å; T79-V84 HydrophobicContact CG2-CG2 3.73Å; T79-I165 HydrophobicContact CG2-CD1 4.49Å
80R86.1Confident87.8Confident135 Ų13543 Ų4351%0.50923%0.231SC..  trans-66.6144.6177.8-60.4-178-178.2-177.72.6109.6V40 E82 D83 V84V40-R80 HydrophobicContact CG1-CG 4Å; V40-R80 VanDerWaalsContact CG1-N 3.31Å; R80-E82 HydrophobicContact CB-CG 4.15Å; R80-E82 PolarHBondContact O-N 2.65Å; R80-E82 VanDerWaalsContact O-N 3.15Å; R80-D83 HydrophobicContact CB-CB 4.48Å; R80-D83 PolarHBondContact O-N 3.41Å; R80-V84 PolarHBondContact O-N 3.47Å
81P86.9Confident87.4Confident101 Ų10143 Ų4366%0.65623%0.232SC*.G310 helixtrans-51.8-39.6-177.5-28.435.6000114D83P81-D83 VanDerWaalsContact C-N 3.26Å; P81-D83 PolarHBondContact O-N 3.34Å
82E88.8Confident87.2Confident133 Ų13343.2 Ų43.262%0.62123%0.23SC*.G310 helixtrans-64.8-26.2177.256.7-90.7-151.800113.9R80R80-E82 HydrophobicContact CB-CG 4.15Å; R80-E82 PolarHBondContact O-N 2.65Å; R80-E82 VanDerWaalsContact O-N 3.15Å
83D88.6Confident86.9Confident61 Ų6149.5 Ų49.533%0.32625%0.254SS..G310 helixtrans-99.8-2.9-174.1-63.1-35.9000113.3T79 R80 P81 G85 T86 S87T79-D83 HydrophobicContact CG2-CB 4.44Å; R80-D83 HydrophobicContact CB-CB 4.48Å; R80-D83 PolarHBondContact O-N 3.41Å; P81-D83 VanDerWaalsContact C-N 3.26Å; P81-D83 PolarHBondContact O-N 3.34Å; D83-G85 VanDerWaalsContact C-N 3.31Å; D83-G85 PolarHBondContact O-N 3.33Å; D83-T86 PolarHBondContact O-N 2.92Å; D83-T86 PolarHBondContact O-OG1 3.3Å; D83-S87 WeakPolarHBondContact O-CB 3.27Å; D83-S87 PolarHBondContact O-N 3.31Å; D83-S87 PolarHBondContact O-OG 3.04Å
84V87.7Confident86.6Confident10 Ų1050.5 Ų50.56%0.06126%0.257CS..Hα-helixtrans-59.4-41.9-174.4175.90000111.5T79 R80 Y88 V156 D163 I165T79-V84 HydrophobicContact CG2-CB 4.3Å; T79-V84 HydrophobicContact CG2-CG2 3.73Å; R80-V84 PolarHBondContact O-N 3.47Å; V84-Y88 WeakPolarHBondContact O-CB 3.31Å; V84-Y88 PolarHBondContact O-N 2.99Å; V84-V156 HydrophobicContact CG1-CG1 3.62Å; V84-V156 HydrophobicContact CG1-CG2 4.25Å; V84-D163 HydrophobicContact CG1-CB 4.27Å; V84-D163 HydrophobicContact CG2-CB 4.14Å; V84-I165 HydrophobicContact CG1-CG1 4.29Å
85G87.1Confident86.4Confident44 Ų4450.4 Ų50.445%0.45426%0.257SS..Hα-helixtrans-65.4-52.2-18000000112.9D83 S87 Y88 D89D83-G85 VanDerWaalsContact C-N 3.31Å; D83-G85 PolarHBondContact O-N 3.33Å; G85-S87 PolarHBondContact O-N 2.92Å; G85-Y88 WeakPolarHBondContact O-CB 3.32Å; G85-Y88 PolarHBondContact O-N 3.49Å; G85-D89 PolarHBondContact O-N 3.42Å
86T87.8Confident86.3Confident93 Ų9352 Ų5257%0.57127%0.265SS*.Hα-helixtrans-64.3-40.9179.750.30000111.6D83 D89 S90D83-T86 PolarHBondContact O-N 2.92Å; D83-T86 PolarHBondContact O-OG1 3.3Å; T86-D89 PolarHBondContact O-N 2.96Å; T86-S90 VanDerWaalsContact O-CB 3.25Å; T86-S90 WeakPolarHBondContact O-CB 3.35Å; T86-S90 PolarHBondContact O-N 3.02Å
87S87.8Confident86.2Confident18 Ų1852.7 Ų52.713%0.12627%0.272CS..Hα-helixtrans-61.9-41.5174.4-710000112.4D83 G85 L91 I165D83-S87 WeakPolarHBondContact O-CB 3.27Å; D83-S87 PolarHBondContact O-N 3.31Å; D83-S87 PolarHBondContact O-OG 3.04Å; G85-S87 PolarHBondContact O-N 2.92Å; S87-L91 WeakPolarHBondContact O-CB 3.22Å; S87-L91 PolarHBondContact O-N 2.94Å; S87-I165 VanDerWaalsContact CB-CD1 3.47Å
88Y88.4Confident86.1Confident7 Ų752.1 Ų52.13%0.02727%0.27CS..Hα-helixtrans-63.3-50.3178.1165.7-94000111.1V84 G85 S90 L91 F92 A120 V154 V156 I165V84-Y88 WeakPolarHBondContact O-CB 3.31Å; V84-Y88 PolarHBondContact O-N 2.99Å; G85-Y88 WeakPolarHBondContact O-CB 3.32Å; G85-Y88 PolarHBondContact O-N 3.49Å; Y88-S90 PolarHBondContact O-N 2.85Å; Y88-L91 PolarHBondContact O-N 3.41Å; Y88-F92 WeakPolarHBondContact O-CB 3.2Å; Y88-F92 PolarHBondContact O-N 2.66Å; Y88-A120 WeakPolarHBondContact OH-CB 3.31Å; Y88-A120 PolarHBondContact OH-N 2.86Å; Y88-V154 HydrophobicContact CD2-CG1 3.81Å; Y88-V154 HydrophobicContact CE2-CB 4.26Å; Y88-V154 HydrophobicContact CE2-CG1 3.76Å; Y88-V156 HydrophobicContact CD2-CG2 3.48Å; Y88-V156 VanDerWaalsContact CD2-CG2 3.48Å; Y88-V156 HydrophobicContact CE2-CG2 4.09Å; Y88-V156 HydrophobicContact CG-CG2 3.78Å; Y88-I165 HydrophobicContact CD2-CG2 4.28Å; Y88-I165 VanDerWaalsContact N-CD1 3.32Å
89D85.4Confident86.1Confident99 Ų9950.5 Ų50.553%0.52926%0.263SS..Hα-helixtrans-63.4-43.3-179.4-74.1-23.9000111.3G85 T86 F92 R93G85-D89 PolarHBondContact O-N 3.42Å; T86-D89 PolarHBondContact O-N 2.96Å; D89-F92 PolarHBondContact O-N 3.05Å; D89-R93 WeakPolarHBondContact O-CB 3.46Å; D89-R93 PolarHBondContact O-N 3.49Å
90S84.1Confident86.1Confident23 Ų2351 Ų5116%0.16126%0.263CS..Hα-helixtrans-60-50.8176178.40000111.6T86 Y88 F92 R93 R94T86-S90 VanDerWaalsContact O-CB 3.25Å; T86-S90 WeakPolarHBondContact O-CB 3.35Å; T86-S90 PolarHBondContact O-N 3.02Å; Y88-S90 PolarHBondContact O-N 2.85Å; S90-F92 PolarHBondContact O-N 3.26Å; S90-R93 PolarHBondContact O-N 3.16Å; S90-R94 VanDerWaalsContact O-CB 3.24Å; S90-R94 WeakPolarHBondContact O-CB 3.11Å; S90-R94 WeakPolarHBondContact O-CD 3.4Å; S90-R94 VanDerWaalsContact O-CG 3.23Å; S90-R94 WeakPolarHBondContact O-CG 3.15Å; S90-R94 PolarHBondContact O-N 3.42Å
91L83.8Confident86Confident3 Ų346.2 Ų46.22%0.01625%0.247CC..Hα-helixtrans-62.2-45.2-179.6-174.463.9000111.2W13 L18 L75 S87 Y88 R94 R95 I165 C167W13-L91 HydrophobicContact CH2-CD1 4.32Å; W13-L91 HydrophobicContact CZ3-CD1 4.19Å; L18-L91 HydrophobicContact CD1-CD1 3.86Å; L75-L91 HydrophobicContact CD2-CD2 4.29Å; S87-L91 WeakPolarHBondContact O-CB 3.22Å; S87-L91 PolarHBondContact O-N 2.94Å; Y88-L91 PolarHBondContact O-N 3.41Å; L91-R94 PolarHBondContact O-N 2.98Å; L91-R95 WeakPolarHBondContact O-CG 3.16Å; L91-R95 PolarHBondContact O-N 3.34Å; L91-I165 HydrophobicContact CD2-CG2 3.73Å; L91-C167 WeakPolarHBondContact CD2-SG 3.23Å
92F86.3Confident85.9Confident29 Ų2941.4 Ų41.413%0.12722%0.216CC..Hα-helixtrans-61.1-48.1177.7173.5-117.4000112.3Y88 D89 S90 R94 R95 L96 M113 A120 L122 V154Y88-F92 WeakPolarHBondContact O-CB 3.2Å; Y88-F92 PolarHBondContact O-N 2.66Å; D89-F92 PolarHBondContact O-N 3.05Å; S90-F92 PolarHBondContact O-N 3.26Å; F92-R94 VanDerWaalsContact C-N 3.31Å; F92-R94 PolarHBondContact O-N 3.37Å; F92-R95 PolarHBondContact O-N 3Å; F92-L96 PolarHBondContact O-N 3.14Å; F92-M113 HydrophobicContact CE1-SD 4.32Å; F92-A120 HydrophobicContact CD1-CB 4.13Å; F92-A120 HydrophobicContact CD2-CB 3.38Å; F92-A120 HydrophobicContact CE1-CB 4.06Å; F92-A120 HydrophobicContact CE2-CB 3.3Å; F92-A120 HydrophobicContact CG-CB 3.81Å; F92-A120 HydrophobicContact CZ-CB 3.65Å; F92-L122 HydrophobicContact CD2-CD2 4.32Å; F92-L122 HydrophobicContact CD2-CG 4.46Å; F92-L122 HydrophobicContact CE2-CD2 3.62Å; F92-L122 HydrophobicContact CE2-CG 3.98Å; F92-L122 HydrophobicContact CZ-CD2 4.37Å; F92-V154 HydrophobicContact CB-CG1 4.47Å; F92-V154 HydrophobicContact CD2-CB 4.44Å; F92-V154 HydrophobicContact CD2-CG2 4.06Å
93R84.2Confident85.8Confident161 Ų16135.3 Ų35.361%0.60819%0.188SC*.Hα-helixtrans-59.8-43.7178.4-175.6176.8-177.9162.2-0.4111.5D89 S90 L96 I97D89-R93 WeakPolarHBondContact O-CB 3.46Å; D89-R93 PolarHBondContact O-N 3.49Å; S90-R93 PolarHBondContact O-N 3.16Å; R93-L96 WeakPolarHBondContact O-CB 3.35Å; R93-L96 PolarHBondContact O-N 2.79Å; R93-I97 HydrophobicContact CG-CD1 4.17Å; R93-I97 WeakPolarHBondContact O-CG1 3.47Å; R93-I97 PolarHBondContact O-N 2.94Å
94R82.1Confident85.6Confident21 Ų2135.7 Ų35.78%0.07919%0.19CC..Hα-helixtrans-63.2-42.5177.5-78171.5159.3-155.9-13.7111.6W13 T17 S90 L91 F92 I97 W98 I330W13-R94 HydrophobicContact CH2-CB 3.7Å; W13-R94 HydrophobicContact CZ2-CB 3.63Å; T17-R94 HydrophobicContact CG2-CB 4.47Å; T17-R94 HydrophobicContact CG2-CG 4.42Å; T17-R94 PolarHBondContact O-NH1 2.95Å; S90-R94 VanDerWaalsContact O-CB 3.24Å; S90-R94 WeakPolarHBondContact O-CB 3.11Å; S90-R94 WeakPolarHBondContact O-CD 3.4Å; S90-R94 VanDerWaalsContact O-CG 3.23Å; S90-R94 WeakPolarHBondContact O-CG 3.15Å; S90-R94 PolarHBondContact O-N 3.42Å; L91-R94 PolarHBondContact O-N 2.98Å; F92-R94 VanDerWaalsContact C-N 3.31Å; F92-R94 PolarHBondContact O-N 3.37Å; R94-I97 PolarHBondContact O-N 3.22Å; R94-W98 PolarHBondContact O-N 2.83Å; R94-I330 HydrophobicContact CG-CG2 4.31Å; R94-I330 VanDerWaalsContact CZ-CG2 3.46Å
95R85.1Confident85.5Confident1 Ų143.4 Ų43.40%0.00422%0.218CC..Hα-helixtrans-64-40.8173-68.6-55.1-58.7144.19.4112.3Y10 W13 L91 F92 W98 W99 L122 E152Y10-R95 VanDerWaalsContact CE2-NH2 3.31Å; W13-R95 HydrophobicContact CH2-CG 3.94Å; W13-R95 HydrophobicContact CZ3-CG 4.06Å; L91-R95 WeakPolarHBondContact O-CG 3.16Å; L91-R95 PolarHBondContact O-N 3.34Å; F92-R95 PolarHBondContact O-N 3Å; R95-W98 VanDerWaalsContact NH2-CE3 3.35Å; R95-W98 WeakPolarHBondContact O-CB 3.18Å; R95-W98 PolarHBondContact O-N 2.94Å; R95-W99 VanDerWaalsContact O-CD1 3.23Å; R95-W99 PolarHBondContact O-N 3.34Å; R95-L122 HydrophobicContact CB-CD1 3.44Å; R95-L122 VanDerWaalsContact CB-CD1 3.44Å; R95-L122 HydrophobicContact CG-CD1 4.45Å; R95-E152 IonicContact CZ-OE1 3.76Å; R95-E152 IonicContact CZ-OE2 3.37Å; R95-E152 IonicContact NE-OE1 2.91Å; R95-E152 PolarHBondContact NE-OE1 3.03Å; R95-E152 IonicContact NE-OE2 3.04Å; R95-E152 PolarHBondContact NE-OE2 3.5Å; R95-E152 IonicContact NH2-OE1 3.33Å; R95-E152 IonicContact NH2-OE2 3.18Å; R95-E152 PolarHBondContact NH2-OE2 3.29Å
96L85.5Confident85.4Confident35 Ų3542.2 Ų42.218%0.18320%0.202CC..Hα-helixtrans-61.1-46.4176.9179.460.4000111.7F92 R93 W98 W99 K100 L122F92-L96 PolarHBondContact O-N 3.14Å; R93-L96 WeakPolarHBondContact O-CB 3.35Å; R93-L96 PolarHBondContact O-N 2.79Å; L96-W98 VanDerWaalsContact C-N 3.34Å; L96-W98 PolarHBondContact O-N 3.09Å; L96-W99 PolarHBondContact O-N 3.18Å; L96-K100 WeakPolarHBondContact O-CG 3.28Å; L96-K100 PolarHBondContact O-N 3.35Å; L96-L122 HydrophobicContact CB-CD2 3.86Å; L96-L122 HydrophobicContact CD1-CD2 3.67Å; L96-L122 HydrophobicContact CG-CD2 4.36Å
97I84.5Confident85.3Confident71 Ų7140 Ų4036%0.36419%0.19SC..Hα-helixtrans-59.7-46.4176.4-68.3165.3000110.4R93 R94 W99 K100 E101R93-I97 HydrophobicContact CG-CD1 4.17Å; R93-I97 WeakPolarHBondContact O-CG1 3.47Å; R93-I97 PolarHBondContact O-N 2.94Å; R94-I97 PolarHBondContact O-N 3.22Å; I97-W99 VanDerWaalsContact C-N 3.28Å; I97-W99 PolarHBondContact O-N 2.66Å; I97-K100 PolarHBondContact O-N 3.48Å; I97-E101 PolarHBondContact O-N 2.85Å
98W84.8Confident85.3Confident1 Ų141 Ų410%0.00419%0.194CC..Hα-helixtrans-55.8-44.2176.8-175.896000111.9W13 R94 R95 L96 E101 A102 V203 M328W13-W98 AromaticContact CD1-CD1 3.79Å; W13-W98 AromaticContact CG-CD1 3.93Å; W13-W98 AromaticContact NE1-CD1 3.86Å; R94-W98 PolarHBondContact O-N 2.83Å; R95-W98 VanDerWaalsContact NH2-CE3 3.35Å; R95-W98 WeakPolarHBondContact O-CB 3.18Å; R95-W98 PolarHBondContact O-N 2.94Å; L96-W98 VanDerWaalsContact C-N 3.34Å; L96-W98 PolarHBondContact O-N 3.09Å; W98-E101 PolarHBondContact O-N 2.81Å; W98-A102 HydrophobicContact CD2-CB 4.45Å; W98-A102 HydrophobicContact CE3-CB 4.22Å; W98-A102 HydrophobicContact CH2-CB 4.15Å; W98-A102 HydrophobicContact CZ2-CB 4.4Å; W98-A102 HydrophobicContact CZ3-CB 4.06Å; W98-A102 VanDerWaalsContact O-CB 3.22Å; W98-A102 WeakPolarHBondContact O-CB 3.34Å; W98-A102 PolarHBondContact O-N 2.83Å; W98-V203 HydrophobicContact CH2-CG1 4.38Å; W98-M328 HydrophobicContact CB-CE 4.45Å; W98-M328 VanDerWaalsContact CD1-SD 3.55Å
99W86.6Confident85.3Confident2 Ų240.7 Ų40.71%0.00819%0.193CC..Hα-helixtrans-66.6-40.5178.3-87.4110000113.4R95 L96 I97 S103 F109 L122 V151 E152 L169 A174 I178R95-W99 VanDerWaalsContact O-CD1 3.23Å; R95-W99 PolarHBondContact O-N 3.34Å; L96-W99 PolarHBondContact O-N 3.18Å; I97-W99 VanDerWaalsContact C-N 3.28Å; I97-W99 PolarHBondContact O-N 2.66Å; W99-S103 WeakPolarHBondContact O-CB 3.39Å; W99-S103 PolarHBondContact O-N 3.02Å; W99-S103 VanDerWaalsContact O-N 3.17Å; W99-S103 PolarHBondContact O-OG 3.1Å; W99-F109 HydrophobicContact CD2-CD1 4.31Å; W99-F109 AromaticContact CE3-CD1 3.64Å; W99-F109 HydrophobicContact CE3-CD1 3.64Å; W99-F109 AromaticContact CE3-CE1 3.66Å; W99-F109 HydrophobicContact CE3-CE1 3.66Å; W99-F109 HydrophobicContact CE3-CG 4.39Å; W99-F109 HydrophobicContact CE3-CZ 4.43Å; W99-F109 HydrophobicContact CZ3-CD1 4.1Å; W99-F109 AromaticContact CZ3-CE1 3.61Å; W99-F109 HydrophobicContact CZ3-CE1 3.61Å; W99-F109 HydrophobicContact CZ3-CZ 4.22Å; W99-L122 VanDerWaalsContact CD1-CD1 3.4Å; W99-V151 HydrophobicContact CH2-CG1 3.55Å; W99-V151 HydrophobicContact CZ2-CB 4.45Å; W99-V151 HydrophobicContact CZ2-CG1 3.52Å; W99-V151 HydrophobicContact CZ3-CG1 4.38Å; W99-E152 PolarHBondContact NE1-OE2 3.13Å; W99-L169 HydrophobicContact CH2-CD1 4.39Å; W99-L169 HydrophobicContact CZ2-CD1 3.59Å; W99-A174 HydrophobicContact CH2-CB 3.47Å; W99-A174 VanDerWaalsContact CH2-CB 3.47Å; W99-A174 HydrophobicContact CZ2-CB 4.11Å; W99-I178 HydrophobicContact CH2-CD1 4.26Å; W99-I178 HydrophobicContact CZ3-CD1 3.8Å; W99-I178 HydrophobicContact CZ3-CG1 3.96Å
100K86.6Confident85.5Confident22 Ų2236.4 Ų36.410%0.09617%0.17CC..Hα-helixtrans-61.3-49.7173.1-68.7-70.6-169.6-178.10109.6L96 I97 S103 N104 W105 F109 D110L96-K100 WeakPolarHBondContact O-CG 3.28Å; L96-K100 PolarHBondContact O-N 3.35Å; I97-K100 PolarHBondContact O-N 3.48Å; K100-S103 CarbonylContact O-C 3.53Å; K100-S103 PolarHBondContact O-N 3.24Å; K100-S103 PolarHBondContact O-OG 3.36Å; K100-N104 PolarHBondContact O-N 3.04Å; K100-W105 HydrophobicContact CB-CD2 4.15Å; K100-W105 HydrophobicContact CB-CE3 3.63Å; K100-W105 HydrophobicContact CB-CZ3 3.85Å; K100-W105 HydrophobicContact CG-CE3 4.31Å; K100-W105 HydrophobicContact CG-CZ3 4.4Å; K100-W105 WeakPolarHBondContact O-CA 3.45Å; K100-W105 PolarHBondContact O-N 2.87Å; K100-F109 WeakPolarHBondContact CD-O 3.46Å; K100-F109 WeakPolarHBondContact CE-O 3.17Å; K100-F109 PolarHBondContact NZ-O 2.95Å; K100-D110 IonicContact NZ-OD1 3.97Å; K100-D110 IonicContact NZ-OD2 2.86Å; K100-D110 PolarHBondContact NZ-OD2 3.21Å
101E84.5Confident85.7Confident36 Ų3635.5 Ų35.517%0.16817%0.165CC..Hα-helixtrans-62.5-48.5-179.5-167.7-174.7160.700112.7I97 W98 S103 N104 H200 L202I97-E101 PolarHBondContact O-N 2.85Å; W98-E101 PolarHBondContact O-N 2.81Å; E101-S103 PolarHBondContact O-N 3.18Å; E101-S103 VanDerWaalsContact O-N 3.12Å; E101-N104 PolarHBondContact O-N 3.46Å; E101-H200 PolarHBondContact O-CD2 3.24Å; E101-H200 IonicContact OE1-CE1 3.83Å; E101-H200 PolarHBondContact OE1-CE1 3.35Å; E101-H200 IonicContact OE1-NE2 3.93Å; E101-L202 HydrophobicContact CG-CD1 4.17Å
102A85Confident85.8Confident0 Ų035.8 Ų35.80%017%0.167CC..Hα-helixtrans-60.4-24.5178.700000113.5W98 H200 V203W98-A102 HydrophobicContact CD2-CB 4.45Å; W98-A102 HydrophobicContact CE3-CB 4.22Å; W98-A102 HydrophobicContact CH2-CB 4.15Å; W98-A102 HydrophobicContact CZ2-CB 4.4Å; W98-A102 HydrophobicContact CZ3-CB 4.06Å; W98-A102 VanDerWaalsContact O-CB 3.22Å; W98-A102 WeakPolarHBondContact O-CB 3.34Å; W98-A102 PolarHBondContact O-N 2.83Å; A102-H200 WeakPolarHBondContact O-CB 3.37Å; A102-V203 HydrophobicContact CB-CG1 3.85Å; A102-V203 WeakPolarHBondContact O-CG2 3.29Å
103S85.7Confident85.5Confident4 Ų435.3 Ų35.33%0.02817%0.165CC..THydrogen-bonded Turntrans-99.319.8175.563.10000113.6W99 K100 E101 W105 S106W99-S103 WeakPolarHBondContact O-CB 3.39Å; W99-S103 PolarHBondContact O-N 3.02Å; W99-S103 VanDerWaalsContact O-N 3.17Å; W99-S103 PolarHBondContact O-OG 3.1Å; K100-S103 CarbonylContact O-C 3.53Å; K100-S103 PolarHBondContact O-N 3.24Å; K100-S103 PolarHBondContact O-OG 3.36Å; E101-S103 PolarHBondContact O-N 3.18Å; E101-S103 VanDerWaalsContact O-N 3.12Å; S103-W105 VanDerWaalsContact C-N 3.26Å; S103-W105 PolarHBondContact O-N 2.85Å; S103-S106 WeakPolarHBondContact O-CB 3.49Å; S103-S106 PolarHBondContact O-N 2.83Å; S103-S106 VanDerWaalsContact O-N 3.09Å
104N85.4Confident84.9Confident69 Ų6929.3 Ų29.337%0.36915%0.15SC..THydrogen-bonded Turntrans53.542.4-176.6-65.1-48000112.9K100 E101 S106 S198 H200K100-N104 PolarHBondContact O-N 3.04Å; E101-N104 PolarHBondContact O-N 3.46Å; N104-S106 PolarHBondContact O-N 2.9Å; N104-S198 PolarHBondContact ND2-O 3.41Å; N104-H200 WeakPolarHBondContact OD1-CB 3.47Å; N104-H200 PolarHBondContact OD1-CD2 3.24Å
105W85.8Confident83.7Confident173 Ų17338.6 Ų38.666%0.65519%0.191SC*.THydrogen-bonded Turntrans58.831.8-177.2-64.888.9000114.3K100 S103 S107K100-W105 HydrophobicContact CB-CD2 4.15Å; K100-W105 HydrophobicContact CB-CE3 3.63Å; K100-W105 HydrophobicContact CB-CZ3 3.85Å; K100-W105 HydrophobicContact CG-CE3 4.31Å; K100-W105 HydrophobicContact CG-CZ3 4.4Å; K100-W105 WeakPolarHBondContact O-CA 3.45Å; K100-W105 PolarHBondContact O-N 2.87Å; S103-W105 VanDerWaalsContact C-N 3.26Å; S103-W105 PolarHBondContact O-N 2.85Å; W105-S107 PolarHBondContact O-N 3.24Å
106S85.1Confident82.6Confident18 Ų1841.3 Ų41.313%0.12622%0.219CC..  trans-59.2135.1176.7-179.10000112S103 N104 N108 F109 D181S103-S106 WeakPolarHBondContact O-CB 3.49Å; S103-S106 PolarHBondContact O-N 2.83Å; S103-S106 VanDerWaalsContact O-N 3.09Å; N104-S106 PolarHBondContact O-N 2.9Å; S106-N108 PolarHBondContact O-N 2.94Å; S106-N108 WeakPolarHBondContact OG-CB 3.32Å; S106-N108 PolarHBondContact OG-N 3.43Å; S106-N108 VanDerWaalsContact OG-N 3.1Å; S106-F109 PolarHBondContact O-N 3.19Å; S106-D181 WeakPolarHBondContact CB-OD2 3.44Å; S106-D181 VanDerWaalsContact OG-CG 3.27Å; S106-D181 PolarHBondContact OG-OD1 2.74Å; S106-D181 PolarHBondContact OG-OD2 2.75Å
107S84.8Confident81.5Confident46 Ų4645.1 Ų45.132%0.32224%0.24SC..THydrogen-bonded Turntrans-73.3-5.717162.30000112.5W105 R135W105-S107 PolarHBondContact O-N 3.24Å; S107-R135 VanDerWaalsContact O-CD 3.31Å; S107-R135 WeakPolarHBondContact O-CD 3.42Å
108N88Confident80.8Confident39 Ų3947.7 Ų47.721%0.20925%0.248CC..THydrogen-bonded Turntrans-78.9-19175.6-65.4-35.2000113S106 Y124 L125 R135 D181S106-N108 PolarHBondContact O-N 2.94Å; S106-N108 WeakPolarHBondContact OG-CB 3.32Å; S106-N108 PolarHBondContact OG-N 3.43Å; S106-N108 VanDerWaalsContact OG-N 3.1Å; N108-Y124 HydrophobicContact CB-CD2 4.06Å; N108-Y124 HydrophobicContact CB-CE2 3.57Å; N108-Y124 CarbonylContact O-C 3.58Å; N108-Y124 WeakPolarHBondContact O-CA 3.48Å; N108-L125 WeakPolarHBondContact O-CB 3.47Å; N108-L125 PolarHBondContact O-N 3.17Å; N108-R135 PolarHBondContact OD1-NH1 3.49Å; N108-D181 WeakPolarHBondContact CB-OD1 3.32Å; N108-D181 PolarHBondContact ND2-OD1 2.9Å
109F88.3Confident80.8Confident2 Ų251.1 Ų51.11%0.00926%0.264CS..EExtended strand (participates in β ladder)trans-101125.7173.3-75-89.9000109.9W99 K100 S106 C123 Y124 V151 F177 I178 D181W99-F109 HydrophobicContact CD2-CD1 4.31Å; W99-F109 AromaticContact CE3-CD1 3.64Å; W99-F109 HydrophobicContact CE3-CD1 3.64Å; W99-F109 AromaticContact CE3-CE1 3.66Å; W99-F109 HydrophobicContact CE3-CE1 3.66Å; W99-F109 HydrophobicContact CE3-CG 4.39Å; W99-F109 HydrophobicContact CE3-CZ 4.43Å; W99-F109 HydrophobicContact CZ3-CD1 4.1Å; W99-F109 AromaticContact CZ3-CE1 3.61Å; W99-F109 HydrophobicContact CZ3-CE1 3.61Å; W99-F109 HydrophobicContact CZ3-CZ 4.22Å; K100-F109 WeakPolarHBondContact CD-O 3.46Å; K100-F109 WeakPolarHBondContact CE-O 3.17Å; K100-F109 PolarHBondContact NZ-O 2.95Å; S106-F109 PolarHBondContact O-N 3.19Å; F109-C123 WeakPolarHBondContact CA-O 3.39Å; F109-Y124 HydrophobicContact CD1-CD2 4.43Å; F109-Y124 HydrophobicContact CD2-CD2 4.13Å; F109-Y124 HydrophobicContact CD2-CE2 4.47Å; F109-Y124 HydrophobicContact CE1-CD2 4.05Å; F109-Y124 AromaticContact CE2-CD2 3.72Å; F109-Y124 HydrophobicContact CE2-CD2 3.72Å; F109-Y124 AromaticContact CE2-CE2 3.95Å; F109-Y124 HydrophobicContact CE2-CE2 3.95Å; F109-Y124 HydrophobicContact CG-CD2 4.48Å; F109-Y124 AromaticContact CZ-CD2 3.68Å; F109-Y124 HydrophobicContact CZ-CD2 3.68Å; F109-Y124 HydrophobicContact CZ-CE2 4.25Å; F109-V151 HydrophobicContact CE1-CG2 4.32Å; F109-F177 HydrophobicContact CE1-CB 4.14Å; F109-F177 HydrophobicContact CZ-CB 3.69Å; F109-I178 HydrophobicContact CZ-CG1 4.37Å; F109-D181 HydrophobicContact CE2-CB 3.98Å
110D89.3Confident80.8Confident8 Ų851 Ų514%0.04326%0.264CS..EExtended strand (participates in β ladder)trans-155.3167.3177.1-133.8-43.6000114.4K100 C123 L125 I141K100-D110 IonicContact NZ-OD1 3.97Å; K100-D110 IonicContact NZ-OD2 2.86Å; K100-D110 PolarHBondContact NZ-OD2 3.21Å; D110-C123 PolarHBondContact N-O 2.89Å; D110-C123 PolarHBondContact O-N 3.24Å; D110-L125 HydrophobicContact CB-CD1 3.6Å; D110-L125 HydrophobicContact CB-CG 4.4Å; D110-I141 HydrophobicContact CB-CD1 3.83Å
111G87.9Confident81Confident5 Ų551 Ų515%0.05227%0.265CS..EExtended strand (participates in β ladder)trans-87.6128.6175.600000112.6N121G111-N121 CarbonylContact C-O 3.6Å; G111-N121 WeakPolarHBondContact CA-O 3.44Å
112V86.2Confident81.3Confident8 Ų849.5 Ų49.55%0.04826%0.258CS..EExtended strand (participates in β ladder)trans-121.3120.9175.5-175.50000109N121 C123 L125 I141 I148V112-N121 PolarHBondContact N-O 3.39Å; V112-N121 PolarHBondContact O-N 2.75Å; V112-C123 HydrophobicContact CG2-CB 4.17Å; V112-L125 HydrophobicContact CG2-CD2 4.32Å; V112-I141 WeakPolarHBondContact CA-O 3.48Å; V112-I141 WeakPolarHBondContact CG1-O 3.48Å; V112-I141 HydrophobicContact CG2-CB 4.23Å; V112-I141 HydrophobicContact CG2-CG2 4.17Å; V112-I148 HydrophobicContact CG2-CD1 4.47Å; V112-I148 HydrophobicContact CG2-CG2 4.31Å
113M81.3Confident81.5Confident19 Ų1949.7 Ų49.79%0.09426%0.26CS..EExtended strand (participates in β ladder)trans-91.7127.5179.9-70.3-69.4-80.400110.7F92 A120 I140 I141 H142F92-M113 HydrophobicContact CE1-SD 4.32Å; M113-A120 HydrophobicContact SD-CB 3.33Å; M113-A120 WeakPolarHBondContact SD-CB 3.44Å; M113-I140 HydrophobicContact CB-CG2 3.67Å; M113-I140 HydrophobicContact CG-CG2 3.48Å; M113-I140 VanDerWaalsContact CG-CG2 3.48Å; M113-I141 PolarHBondContact N-O 2.89Å; M113-H142 PolarHBondContact O-ND1 3.29Å
114A69.6Low81.7Confident35 Ų3550.1 Ų50.129%0.28926%0.26SS..  trans-72.9148.6172.100000110.7G116 N117 Q119A114-G116 PolarHBondContact O-N 2.96Å; A114-N117 PolarHBondContact O-N 3.23Å; A114-Q119 HydrophobicContact CB-CB 4.24Å; A114-Q119 HydrophobicContact CB-CG 4.45Å; A114-Q119 PolarHBondContact N-O 2.99Å
115K57Low81.9Confident216 Ų21646.8 Ų46.894%0.93924%0.243SC*.THydrogen-bonded Turntrans-57.1114.9176.5-83.7-174.4174-177.30109.6
116G62.7Low81.7Confident58 Ų5840.1 Ų40.160%0.59823%0.228SC*.THydrogen-bonded Turntrans126.30.4179.800000115.6A114 K118A114-G116 PolarHBondContact O-N 2.96Å; G116-K118 PolarHBondContact O-N 3.33Å
117N62.3Low81.3Confident115 Ų11544.8 Ų44.862%0.61525%0.246SC*.SBendtrans57.47.2175.5-73.24000117.1A114A114-N117 PolarHBondContact O-N 3.23Å
118K69.6Low81Confident126 Ų12643.1 Ų43.155%0.54823%0.234SC..SBendtrans-104-0.5-179-65.9-174.8-176.2-173.30114.8G116 V156G116-K118 PolarHBondContact O-N 3.33Å; K118-V156 PolarHBondContact O-N 3.33Å
119Q84.6Confident80.6Confident72 Ų7250.8 Ų50.834%0.33627%0.266SS..EExtended strand (participates in β ladder)trans-144.2124.6178.1175.3173.71.400110.1A114 N121 V154 T155A114-Q119 HydrophobicContact CB-CB 4.24Å; A114-Q119 HydrophobicContact CB-CG 4.45Å; A114-Q119 PolarHBondContact N-O 2.99Å; Q119-N121 PolarHBondContact NE2-OD1 3.42Å; Q119-V154 WeakPolarHBondContact CA-O 3.45Å; Q119-T155 HydrophobicContact CB-CG2 4Å; Q119-T155 HydrophobicContact CG-CG2 3.64Å
120A87.9Confident80.1Confident0 Ų051.6 Ų51.60%027%0.271CS..EExtended strand (participates in β ladder)trans-110.5142.1168.300000109.2Y88 F92 M113 S153 V154Y88-A120 WeakPolarHBondContact OH-CB 3.31Å; Y88-A120 PolarHBondContact OH-N 2.86Å; F92-A120 HydrophobicContact CD1-CB 4.13Å; F92-A120 HydrophobicContact CD2-CB 3.38Å; F92-A120 HydrophobicContact CE1-CB 4.06Å; F92-A120 HydrophobicContact CE2-CB 3.3Å; F92-A120 HydrophobicContact CG-CB 3.81Å; F92-A120 HydrophobicContact CZ-CB 3.65Å; M113-A120 HydrophobicContact SD-CB 3.33Å; M113-A120 WeakPolarHBondContact SD-CB 3.44Å; A120-S153 CarbonylContact O-C 3.5Å; A120-S153 WeakPolarHBondContact O-CA 3.22Å; A120-V154 PolarHBondContact N-O 3.17Å; A120-V154 PolarHBondContact O-N 3.2Å
121N89.7Confident79.1Confident23 Ų2354.3 Ų54.312%0.12329%0.29CS..EExtended strand (participates in β ladder)trans-119.1130.5174.1-61.7-44.8000108.5G111 V112 Q119 C123 Q150 E152 S153G111-N121 CarbonylContact C-O 3.6Å; G111-N121 WeakPolarHBondContact CA-O 3.44Å; V112-N121 PolarHBondContact N-O 3.39Å; V112-N121 PolarHBondContact O-N 2.75Å; Q119-N121 PolarHBondContact NE2-OD1 3.42Å; N121-C123 VanDerWaalsContact CB-SG 3.6Å; N121-Q150 HydrophobicContact CB-CG 4.16Å; N121-E152 CarbonylContact C-O 3.53Å; N121-E152 WeakPolarHBondContact CA-O 3.16Å; N121-S153 WeakPolarHBondContact OD1-CB 3.17Å
122L90.5Very high78.3Confident4 Ų460.1 Ų60.12%0.02132%0.319CS..EExtended strand (participates in β ladder)trans-90.9122.8166.7-63.5163.7000107F92 R95 L96 W99 V151 E152F92-L122 HydrophobicContact CD2-CD2 4.32Å; F92-L122 HydrophobicContact CD2-CG 4.46Å; F92-L122 HydrophobicContact CE2-CD2 3.62Å; F92-L122 HydrophobicContact CE2-CG 3.98Å; F92-L122 HydrophobicContact CZ-CD2 4.37Å; R95-L122 HydrophobicContact CB-CD1 3.44Å; R95-L122 VanDerWaalsContact CB-CD1 3.44Å; R95-L122 HydrophobicContact CG-CD1 4.45Å; L96-L122 HydrophobicContact CB-CD2 3.86Å; L96-L122 HydrophobicContact CD1-CD2 3.67Å; L96-L122 HydrophobicContact CG-CD2 4.36Å; W99-L122 VanDerWaalsContact CD1-CD1 3.4Å; L122-V151 PolarHBondContact O-N 3.26Å; L122-E152 HydrophobicContact CB-CB 4.14Å; L122-E152 HydrophobicContact CD1-CB 4.24Å; L122-E152 HydrophobicContact CD1-CG 4.19Å; L122-E152 PolarHBondContact N-O 3.29Å; L122-E152 PolarHBondContact O-N 3.49Å
123C91Very high77.4Confident4 Ų466.7 Ų66.73%0.02735%0.35CS..EExtended strand (participates in β ladder)trans-130.3153.2-164.1-63.20000111.6F109 D110 V112 N121 L125 I148 L149F109-C123 WeakPolarHBondContact CA-O 3.39Å; D110-C123 PolarHBondContact N-O 2.89Å; D110-C123 PolarHBondContact O-N 3.24Å; V112-C123 HydrophobicContact CG2-CB 4.17Å; N121-C123 VanDerWaalsContact CB-SG 3.6Å; C123-L125 HydrophobicContact CB-CD2 4.09Å; C123-I148 HydrophobicContact CB-CG2 3.43Å; C123-I148 VanDerWaalsContact CB-CG2 3.43Å; C123-I148 VanDerWaalsContact SG-CG2 3.54Å; C123-L149 CarbonylContact C-O 3.5Å; C123-L149 WeakPolarHBondContact CA-O 3.46Å
124Y89.9Confident76.8Confident12 Ų1267 Ų675%0.04735%0.354CS..EExtended strand (participates in β ladder)trans-92.3123.5162.7-172.8-102.5000110N108 F109 F127 L149 F177 L180 D181N108-Y124 HydrophobicContact CB-CD2 4.06Å; N108-Y124 HydrophobicContact CB-CE2 3.57Å; N108-Y124 CarbonylContact O-C 3.58Å; N108-Y124 WeakPolarHBondContact O-CA 3.48Å; F109-Y124 HydrophobicContact CD1-CD2 4.43Å; F109-Y124 HydrophobicContact CD2-CD2 4.13Å; F109-Y124 HydrophobicContact CD2-CE2 4.47Å; F109-Y124 HydrophobicContact CE1-CD2 4.05Å; F109-Y124 AromaticContact CE2-CD2 3.72Å; F109-Y124 HydrophobicContact CE2-CD2 3.72Å; F109-Y124 AromaticContact CE2-CE2 3.95Å; F109-Y124 HydrophobicContact CE2-CE2 3.95Å; F109-Y124 HydrophobicContact CG-CD2 4.48Å; F109-Y124 AromaticContact CZ-CD2 3.68Å; F109-Y124 HydrophobicContact CZ-CD2 3.68Å; F109-Y124 HydrophobicContact CZ-CE2 4.25Å; Y124-F127 HydrophobicContact CD1-CD2 4.01Å; Y124-F127 AromaticContact CD1-CE2 3.99Å; Y124-F127 HydrophobicContact CD1-CE2 3.99Å; Y124-F127 AromaticContact CE1-CD2 3.85Å; Y124-F127 HydrophobicContact CE1-CD2 3.85Å; Y124-F127 AromaticContact CE1-CE2 3.62Å; Y124-F127 HydrophobicContact CE1-CE2 3.62Å; Y124-F127 HydrophobicContact CE1-CZ 4.32Å; Y124-L149 PolarHBondContact N-O 3.44Å; Y124-L149 PolarHBondContact O-N 2.83Å; Y124-F177 HydrophobicContact CD1-CB 4.47Å; Y124-F177 HydrophobicContact CD1-CD1 4.06Å; Y124-F177 HydrophobicContact CD1-CG 4.13Å; Y124-F177 HydrophobicContact CD2-CB 3.79Å; Y124-F177 HydrophobicContact CD2-CG 4.26Å; Y124-F177 HydrophobicContact CE2-CB 4.28Å; Y124-F177 HydrophobicContact CG-CB 3.88Å; Y124-F177 HydrophobicContact CG-CD1 4.23Å; Y124-F177 HydrophobicContact CG-CD2 4.11Å; Y124-F177 AromaticContact CG-CG 3.82Å; Y124-F177 HydrophobicContact CG-CG 3.82Å; Y124-L180 HydrophobicContact CE1-CD2 3.75Å; Y124-L180 WeakPolarHBondContact OH-CD2 3.45Å; Y124-D181 HydrophobicContact CE2-CB 4.24Å
125L88.3Confident76.9Confident0 Ų066.4 Ų66.40%034%0.344CS..  trans-109.33-173.5-54.4-175.4000113N108 D110 V112 C123 F127 S128 R135 I141 I148N108-L125 WeakPolarHBondContact O-CB 3.47Å; N108-L125 PolarHBondContact O-N 3.17Å; D110-L125 HydrophobicContact CB-CD1 3.6Å; D110-L125 HydrophobicContact CB-CG 4.4Å; V112-L125 HydrophobicContact CG2-CD2 4.32Å; C123-L125 HydrophobicContact CB-CD2 4.09Å; L125-F127 PolarHBondContact O-N 3.22Å; L125-F127 VanDerWaalsContact O-N 3.07Å; L125-S128 WeakPolarHBondContact O-CB 3.47Å; L125-S128 PolarHBondContact O-N 3.39Å; L125-R135 HydrophobicContact CD1-CG 4.11Å; L125-R135 PolarHBondContact O-NH1 2.65Å; L125-R135 PolarHBondContact O-NH2 3.1Å; L125-I141 HydrophobicContact CD1-CD1 3.8Å; L125-I148 HydrophobicContact CD2-CB 4.26Å; L125-I148 HydrophobicContact CD2-CD1 4.04Å; L125-I148 HydrophobicContact CD2-CG1 3.75Å; L125-I148 HydrophobicContact CD2-CG2 3.75Å
126G81.8Confident77Confident33 Ų3360.9 Ų60.934%0.3432%0.324SS..THydrogen-bonded Turntrans-58.7-24.1-175.200000114.4
127F76.2Confident76.7Confident115 Ų11563 Ų6350%0.50433%0.328SS..THydrogen-bonded Turntrans-98.1-3.9176.2-55.4-66.7000113.9Y124 L125 S147 L149 L180Y124-F127 HydrophobicContact CD1-CD2 4.01Å; Y124-F127 AromaticContact CD1-CE2 3.99Å; Y124-F127 HydrophobicContact CD1-CE2 3.99Å; Y124-F127 AromaticContact CE1-CD2 3.85Å; Y124-F127 HydrophobicContact CE1-CD2 3.85Å; Y124-F127 AromaticContact CE1-CE2 3.62Å; Y124-F127 HydrophobicContact CE1-CE2 3.62Å; Y124-F127 HydrophobicContact CE1-CZ 4.32Å; L125-F127 PolarHBondContact O-N 3.22Å; L125-F127 VanDerWaalsContact O-N 3.07Å; F127-S147 PolarHBondContact O-OG 3.21Å; F127-L149 HydrophobicContact CD2-CD1 3.76Å; F127-L149 HydrophobicContact CE2-CD1 3.95Å; F127-L180 HydrophobicContact CE1-CD2 4.43Å; F127-L180 HydrophobicContact CE2-CD2 3.88Å; F127-L180 HydrophobicContact CZ-CD2 3.47Å; F127-L180 VanDerWaalsContact CZ-CD2 3.47Å
128S79.8Confident76.3Confident11 Ų1164.8 Ų64.88%0.07734%0.337CS..  trans-88.5144.5-170.9177.40000113.2L125 V130 R135 D145 S147L125-S128 WeakPolarHBondContact O-CB 3.47Å; L125-S128 PolarHBondContact O-N 3.39Å; S128-V130 PolarHBondContact O-N 3.42Å; S128-V130 WeakPolarHBondContact OG-CB 3.35Å; S128-V130 WeakPolarHBondContact OG-CG2 3.48Å; S128-V130 PolarHBondContact OG-N 3.39Å; S128-V130 VanDerWaalsContact OG-N 3.15Å; S128-R135 PolarHBondContact O-NH2 3.38Å; S128-D145 PolarHBondContact OG-OD2 3.15Å; S128-S147 VanDerWaalsContact CA-OG 3.25Å; S128-S147 WeakPolarHBondContact CA-OG 3.41Å
129K79.3Confident76Confident201 Ų20164.3 Ų64.387%0.87434%0.335SS*.  trans-76.30.1173.3-63.2-173.7179.8-175.90113.2S131 D145K129-S131 PolarHBondContact O-N 2.95Å; K129-D145 PolarHBondContact N-OD2 2.91Å
130V77.8Confident75.1Confident19 Ų1965.9 Ų65.912%0.11534%0.344CS..  trans-57.2122.1174.71690000109.3S128 S134 R135 I141 I148S128-V130 PolarHBondContact O-N 3.42Å; S128-V130 WeakPolarHBondContact OG-CB 3.35Å; S128-V130 WeakPolarHBondContact OG-CG2 3.48Å; S128-V130 PolarHBondContact OG-N 3.39Å; S128-V130 VanDerWaalsContact OG-N 3.15Å; V130-S134 WeakPolarHBondContact CG1-OG 3.36Å; V130-R135 HydrophobicContact CG1-CG 4.19Å; V130-R135 PolarHBondContact O-NE 2.96Å; V130-R135 PolarHBondContact O-NH2 3.45Å; V130-I141 HydrophobicContact CG1-CG2 4.28Å; V130-I148 HydrophobicContact CG2-CD1 4.11Å
131S68.3Low74.4Confident64 Ų6466.2 Ų66.245%0.44835%0.346SS..  trans-62.8147.1-173.569.30000111.8K129 E133 S134K129-S131 PolarHBondContact O-N 2.95Å; S131-E133 PolarHBondContact O-N 2.66Å; S131-S134 PolarHBondContact N-OG 3.1Å; S131-S134 PolarHBondContact O-N 3.03Å; S131-S134 PolarHBondContact O-OG 3.4Å; S131-S134 PolarHBondContact OG-N 2.87Å; S131-S134 PolarHBondContact OG-OG 3.09Å
132L70.6Confident73.3Confident127 Ų12770.8 Ų70.867%0.66537%0.366SS*.G310 helixtrans-57.6-35.5177.2-96.7114.4000113S134 R135L132-S134 PolarHBondContact O-N 3.5Å; L132-R135 WeakPolarHBondContact O-CA 3.47Å; L132-R135 WeakPolarHBondContact O-CB 3.31Å; L132-R135 PolarHBondContact O-N 3.18Å
133E68.2Low72.3Confident146 Ų14672.6 Ų72.668%0.68238%0.379SS*.G310 helixtrans-61.4-27.7175.5-66.8-179.5176.800113.3S131 R135 L136S131-E133 PolarHBondContact O-N 2.66Å; E133-R135 VanDerWaalsContact C-N 3.31Å; E133-L136 WeakPolarHBondContact O-CD1 3.47Å; E133-L136 WeakPolarHBondContact O-CG 3.33Å
134S68Low71.2Confident25 Ų2579 Ų7918%0.17542%0.418CS..G310 helixtrans-79.7-14174.464.20000113.5V130 S131 L132 L136 I141V130-S134 WeakPolarHBondContact CG1-OG 3.36Å; S131-S134 PolarHBondContact N-OG 3.1Å; S131-S134 PolarHBondContact O-N 3.03Å; S131-S134 PolarHBondContact O-OG 3.4Å; S131-S134 PolarHBondContact OG-N 2.87Å; S131-S134 PolarHBondContact OG-OG 3.09Å; L132-S134 PolarHBondContact O-N 3.5Å; S134-L136 VanDerWaalsContact C-N 3.34Å; S134-I141 WeakPolarHBondContact O-CG1 3.33Å
135R70.6Confident70.3Confident24 Ų2480.7 Ų80.79%0.09143%0.428CS..G310 helixtrans-93.714.4178.6-50.7179.8-166.3-162.9-2.6113.3S107 N108 L125 S128 V130 L132 E133 I141S107-R135 VanDerWaalsContact O-CD 3.31Å; S107-R135 WeakPolarHBondContact O-CD 3.42Å; N108-R135 PolarHBondContact OD1-NH1 3.49Å; L125-R135 HydrophobicContact CD1-CG 4.11Å; L125-R135 PolarHBondContact O-NH1 2.65Å; L125-R135 PolarHBondContact O-NH2 3.1Å; S128-R135 PolarHBondContact O-NH2 3.38Å; V130-R135 HydrophobicContact CG1-CG 4.19Å; V130-R135 PolarHBondContact O-NE 2.96Å; V130-R135 PolarHBondContact O-NH2 3.45Å; L132-R135 WeakPolarHBondContact O-CA 3.47Å; L132-R135 WeakPolarHBondContact O-CB 3.31Å; L132-R135 PolarHBondContact O-N 3.18Å; E133-R135 VanDerWaalsContact C-N 3.31Å; R135-I141 HydrophobicContact CG-CD1 4.47Å
136L60.6Low69.6Low100 Ų10089.8 Ų89.852%0.52447%0.468SS..SBendtrans-68.4146.1178.5-75.6170.8000110.9E133 S134 N138 K139E133-L136 WeakPolarHBondContact O-CD1 3.47Å; E133-L136 WeakPolarHBondContact O-CG 3.33Å; S134-L136 VanDerWaalsContact C-N 3.34Å; L136-N138 PolarHBondContact O-N 2.77Å; L136-K139 PolarHBondContact O-N 2.98Å
137P55.7Low69.4Low103 Ų10390 Ų9067%0.66946%0.464SS*.THydrogen-bonded Turntrans-52.5133.7177.1-20.429.8000110.8K139P137-K139 VanDerWaalsContact C-N 3.35Å; P137-K139 PolarHBondContact O-N 3.13Å
138N54.6Low69.8Low151 Ų15185.6 Ų85.681%0.80745%0.446SS*.THydrogen-bonded Turntrans74.85.1178.3-45.4-43.7000116.9L136L136-N138 PolarHBondContact O-N 2.77Å
139K62.9Low70.2Confident117 Ų11785.5 Ų85.551%0.50944%0.444SS..PPolyproline II helixtrans-91.4121.1172.1-157.3173.6-177.5177.60110.2L136 P137 I141L136-K139 PolarHBondContact O-N 2.98Å; P137-K139 VanDerWaalsContact C-N 3.35Å; P137-K139 PolarHBondContact O-N 3.13Å; K139-I141 PolarHBondContact O-N 3Å
140I65.2Low70.7Confident104 Ų10479.3 Ų79.353%0.53342%0.419SS..PPolyproline II helixtrans-69.6117.7176.5-60.3176.2000108.9M113 H142M113-I140 HydrophobicContact CB-CG2 3.67Å; M113-I140 HydrophobicContact CG-CG2 3.48Å; M113-I140 VanDerWaalsContact CG-CG2 3.48Å; I140-H142 WeakPolarHBondContact CG2-NE2 3.41Å; I140-H142 PolarHBondContact O-N 2.88Å
141I74Confident71.4Confident8 Ų878.5 Ų78.54%0.04141%0.414CS..BIsolated β-bridgetrans-82.9117.5175.3-54.4178.6000108.4D110 V112 M113 L125 V130 S134 R135 K139D110-I141 HydrophobicContact CB-CD1 3.83Å; V112-I141 WeakPolarHBondContact CA-O 3.48Å; V112-I141 WeakPolarHBondContact CG1-O 3.48Å; V112-I141 HydrophobicContact CG2-CB 4.23Å; V112-I141 HydrophobicContact CG2-CG2 4.17Å; M113-I141 PolarHBondContact N-O 2.89Å; L125-I141 HydrophobicContact CD1-CD1 3.8Å; V130-I141 HydrophobicContact CG1-CG2 4.28Å; S134-I141 WeakPolarHBondContact O-CG1 3.33Å; R135-I141 HydrophobicContact CG-CD1 4.47Å; K139-I141 PolarHBondContact O-N 3Å
142H67.1Low72.5Confident118 Ų11875.5 Ų75.555%0.54639%0.392SS..  trans-107.7105.8167.2-66.1-69.5000108.7M113 I140M113-H142 PolarHBondContact O-ND1 3.29Å; I140-H142 WeakPolarHBondContact CG2-NE2 3.41Å; I140-H142 PolarHBondContact O-N 2.88Å
143S68.8Low73.5Confident42 Ų4270.1 Ų70.129%0.29437%0.365SS..  trans-142.2150.4-179.5-176.70000111.5D145 I148S143-D145 WeakPolarHBondContact OG-CB 3.49Å; S143-D145 PolarHBondContact OG-N 2.99Å; S143-D145 VanDerWaalsContact OG-N 3.14Å; S143-I148 WeakPolarHBondContact OG-CD1 3.22Å
144T66.8Low74.6Confident138 Ų13863.1 Ų63.185%0.84733%0.333SS*.  trans-114.112.8172.154.80000111.9K146T144-K146 PolarHBondContact O-N 3.05Å
145D72Confident75.7Confident48 Ų4863 Ų6326%0.25733%0.331SS..  trans-60.8117.1179.7-177.7-3.6000110.5S128 K129 S143 S147 I148S128-D145 PolarHBondContact OG-OD2 3.15Å; K129-D145 PolarHBondContact N-OD2 2.91Å; S143-D145 WeakPolarHBondContact OG-CB 3.49Å; S143-D145 PolarHBondContact OG-N 2.99Å; S143-D145 VanDerWaalsContact OG-N 3.14Å; D145-S147 PolarHBondContact O-N 3.13Å; D145-S147 WeakPolarHBondContact OD1-CB 3.12Å; D145-S147 PolarHBondContact OD1-N 3.49Å; D145-S147 PolarHBondContact OD1-OG 3.39Å; D145-S147 PolarHBondContact OD2-OG 2.78Å; D145-I148 HydrophobicContact CB-CD1 3.93Å; D145-I148 HydrophobicContact CB-CG1 4Å; D145-I148 VanDerWaalsContact O-CB 3.27Å; D145-I148 WeakPolarHBondContact O-CB 3.45Å; D145-I148 WeakPolarHBondContact O-CG1 3.37Å; D145-I148 PolarHBondContact O-N 3.07Å; D145-I148 VanDerWaalsContact O-N 3.09Å
146K73Confident76.7Confident192 Ų19263.3 Ų63.384%0.83534%0.336SS*.THydrogen-bonded Turntrans-69.2-13.6-177.1-65.5-176.9179.5176.90113.6T144 I148T144-K146 PolarHBondContact O-N 3.05Å; K146-I148 VanDerWaalsContact C-N 3.26Å
147S78Confident78Confident36 Ų3661.4 Ų61.425%0.25233%0.326SS..THydrogen-bonded Turntrans-79.3-10173.566.10000113F127 S128 D145 L149F127-S147 PolarHBondContact O-OG 3.21Å; S128-S147 VanDerWaalsContact CA-OG 3.25Å; S128-S147 WeakPolarHBondContact CA-OG 3.41Å; D145-S147 PolarHBondContact O-N 3.13Å; D145-S147 WeakPolarHBondContact OD1-CB 3.12Å; D145-S147 PolarHBondContact OD1-N 3.49Å; D145-S147 PolarHBondContact OD1-OG 3.39Å; D145-S147 PolarHBondContact OD2-OG 2.78Å; S147-L149 PolarHBondContact O-N 3.46Å
148I83.7Confident79.3Confident23 Ų2363.6 Ų63.612%0.11833%0.325CS..  trans-70.1120.1170.6-63.8177.7000108.3V112 C123 L125 V130 S143 D145 K146V112-I148 HydrophobicContact CG2-CD1 4.47Å; V112-I148 HydrophobicContact CG2-CG2 4.31Å; C123-I148 HydrophobicContact CB-CG2 3.43Å; C123-I148 VanDerWaalsContact CB-CG2 3.43Å; C123-I148 VanDerWaalsContact SG-CG2 3.54Å; L125-I148 HydrophobicContact CD2-CB 4.26Å; L125-I148 HydrophobicContact CD2-CD1 4.04Å; L125-I148 HydrophobicContact CD2-CG1 3.75Å; L125-I148 HydrophobicContact CD2-CG2 3.75Å; V130-I148 HydrophobicContact CG2-CD1 4.11Å; S143-I148 WeakPolarHBondContact OG-CD1 3.22Å; D145-I148 HydrophobicContact CB-CD1 3.93Å; D145-I148 HydrophobicContact CB-CG1 4Å; D145-I148 VanDerWaalsContact O-CB 3.27Å; D145-I148 WeakPolarHBondContact O-CB 3.45Å; D145-I148 WeakPolarHBondContact O-CG1 3.37Å; D145-I148 PolarHBondContact O-N 3.07Å; D145-I148 VanDerWaalsContact O-N 3.09Å; K146-I148 VanDerWaalsContact C-N 3.26Å
149L88.6Confident80.4Confident10 Ų1058.6 Ų58.65%0.05230%0.302CS..EExtended strand (participates in β ladder)trans-102.9107.7-176.9-58.8-179.7000109.3L56 A59 C123 Y124 F127 S147 V151 F177L56-L149 HydrophobicContact CD2-CB 3.91Å; L56-L149 HydrophobicContact CD2-CD2 4.28Å; A59-L149 HydrophobicContact CB-CD1 3.74Å; C123-L149 CarbonylContact C-O 3.5Å; C123-L149 WeakPolarHBondContact CA-O 3.46Å; Y124-L149 PolarHBondContact N-O 3.44Å; Y124-L149 PolarHBondContact O-N 2.83Å; F127-L149 HydrophobicContact CD2-CD1 3.76Å; F127-L149 HydrophobicContact CE2-CD1 3.95Å; S147-L149 PolarHBondContact O-N 3.46Å; L149-V151 PolarHBondContact O-N 2.91Å; L149-F177 HydrophobicContact CB-CE2 3.76Å; L149-F177 HydrophobicContact CB-CZ 3.68Å; L149-F177 HydrophobicContact CD1-CE1 3.65Å; L149-F177 HydrophobicContact CD1-CE2 4.31Å; L149-F177 HydrophobicContact CD1-CZ 3.41Å; L149-F177 VanDerWaalsContact CD1-CZ 3.41Å; L149-F177 HydrophobicContact CG-CZ 4.16Å
150Q90.2Very high80.9Confident71 Ų7162.9 Ų62.933%0.33232%0.324SS..EExtended strand (participates in β ladder)trans-65.1130.9177.1179-173.3-20.100110.8N121 S153N121-Q150 HydrophobicContact CB-CG 4.16Å; Q150-S153 PolarHBondContact NE2-OG 3.27Å
151V91.5Very high81.1Confident2 Ų266.5 Ų66.51%0.01234%0.338CS..EExtended strand (participates in β ladder)trans-106.7-42.7177.1-171.60000110.5W99 F109 L122 L149 L169 N170 A173 A174 F177W99-V151 HydrophobicContact CH2-CG1 3.55Å; W99-V151 HydrophobicContact CZ2-CB 4.45Å; W99-V151 HydrophobicContact CZ2-CG1 3.52Å; W99-V151 HydrophobicContact CZ3-CG1 4.38Å; F109-V151 HydrophobicContact CE1-CG2 4.32Å; L122-V151 PolarHBondContact O-N 3.26Å; L149-V151 PolarHBondContact O-N 2.91Å; V151-L169 HydrophobicContact CG1-CD1 4.2Å; V151-N170 WeakPolarHBondContact O-CB 3.24Å; V151-N170 PolarHBondContact O-N 3.5Å; V151-A173 HydrophobicContact CG1-CB 4.46Å; V151-A174 HydrophobicContact CG1-CB 3.86Å; V151-F177 HydrophobicContact CG2-CD2 3.54Å; V151-F177 HydrophobicContact CG2-CE2 3.93Å
152E92.3Very high81.2Confident0 Ų067.4 Ų67.40%035%0.349CS..EExtended strand (participates in β ladder)trans-140.4147.1179.1177173.5-169.500109.5Y10 R95 W99 N121 L122 S168 L169Y10-E152 VanDerWaalsContact CE2-OE1 3.27Å; Y10-E152 WeakPolarHBondContact CE2-OE1 3.45Å; Y10-E152 PolarHBondContact OH-OE1 3.12Å; R95-E152 IonicContact CZ-OE1 3.76Å; R95-E152 IonicContact CZ-OE2 3.37Å; R95-E152 IonicContact NE-OE1 2.91Å; R95-E152 PolarHBondContact NE-OE1 3.03Å; R95-E152 IonicContact NE-OE2 3.04Å; R95-E152 PolarHBondContact NE-OE2 3.5Å; R95-E152 IonicContact NH2-OE1 3.33Å; R95-E152 IonicContact NH2-OE2 3.18Å; R95-E152 PolarHBondContact NH2-OE2 3.29Å; W99-E152 PolarHBondContact NE1-OE2 3.13Å; N121-E152 CarbonylContact C-O 3.53Å; N121-E152 WeakPolarHBondContact CA-O 3.16Å; L122-E152 HydrophobicContact CB-CB 4.14Å; L122-E152 HydrophobicContact CD1-CB 4.24Å; L122-E152 HydrophobicContact CD1-CG 4.19Å; L122-E152 PolarHBondContact N-O 3.29Å; L122-E152 PolarHBondContact O-N 3.49Å; E152-S168 CarbonylContact C-O 3.58Å; E152-S168 VanDerWaalsContact CA-O 3.24Å; E152-S168 WeakPolarHBondContact CA-O 3.41Å; E152-L169 HydrophobicContact CB-CD1 4.04Å; E152-L169 HydrophobicContact CG-CB 4.3Å
153S91.6Very high82.1Confident14 Ų1464.3 Ų64.310%0.09834%0.337CS..EExtended strand (participates in β ladder)trans-119.5143.1168.945.50000110.7A120 N121 Q150 C167 S168A120-S153 CarbonylContact O-C 3.5Å; A120-S153 WeakPolarHBondContact O-CA 3.22Å; N121-S153 WeakPolarHBondContact OD1-CB 3.17Å; Q150-S153 PolarHBondContact NE2-OG 3.27Å; S153-C167 CarbonylContact O-C 3.58Å; S153-C167 VanDerWaalsContact O-CA 3.23Å; S153-C167 WeakPolarHBondContact O-CA 3.28Å; S153-S168 PolarHBondContact N-O 3.08Å; S153-S168 PolarHBondContact O-N 3.43Å
154V91.4Very high83Confident0 Ų063.7 Ų63.70%033%0.329CS..EExtended strand (participates in β ladder)trans-116123167.9-171.10000107.2Y88 F92 Q119 A120 I165 C166Y88-V154 HydrophobicContact CD2-CG1 3.81Å; Y88-V154 HydrophobicContact CE2-CB 4.26Å; Y88-V154 HydrophobicContact CE2-CG1 3.76Å; F92-V154 HydrophobicContact CB-CG1 4.47Å; F92-V154 HydrophobicContact CD2-CB 4.44Å; F92-V154 HydrophobicContact CD2-CG2 4.06Å; Q119-V154 WeakPolarHBondContact CA-O 3.45Å; A120-V154 PolarHBondContact N-O 3.17Å; A120-V154 PolarHBondContact O-N 3.2Å; V154-I165 HydrophobicContact CG1-CG2 3.84Å; V154-C166 CarbonylContact C-O 3.58Å; V154-C166 WeakPolarHBondContact CA-O 3.35Å
155T91.7Very high84.1Confident22 Ų2257.1 Ų57.114%0.13529%0.289CS..EExtended strand (participates in β ladder)trans-134.7142.6-172.849.70000110.7Q119 N157 I165 C166Q119-T155 HydrophobicContact CB-CG2 4Å; Q119-T155 HydrophobicContact CG-CG2 3.64Å; T155-N157 PolarHBondContact OG1-ND2 3.16Å; T155-I165 CarbonylContact O-C 3.53Å; T155-I165 WeakPolarHBondContact O-CA 3.19Å; T155-C166 PolarHBondContact N-O 3.22Å; T155-C166 PolarHBondContact O-N 3.25Å; T155-C166 PolarHBondContact OG1-O 3.16Å; T155-C166 VanDerWaalsContact OG1-O 3.11Å
156V90.8Very high85Confident31 Ų3155.3 Ų55.319%0.18828%0.28CS..EExtended strand (participates in β ladder)trans-93.1116.1165.3-178.10000108.1V84 Y88 K118 D163 I165V84-V156 HydrophobicContact CG1-CG1 3.62Å; V84-V156 HydrophobicContact CG1-CG2 4.25Å; Y88-V156 HydrophobicContact CD2-CG2 3.48Å; Y88-V156 VanDerWaalsContact CD2-CG2 3.48Å; Y88-V156 HydrophobicContact CE2-CG2 4.09Å; Y88-V156 HydrophobicContact CG-CG2 3.78Å; K118-V156 PolarHBondContact O-N 3.33Å; V156-D163 HydrophobicContact CG1-CB 4.37Å; V156-I165 HydrophobicContact CG2-CG1 4.4Å
157N88.2Confident85.9Confident59 Ų5946.2 Ų46.232%0.31624%0.24SC..EExtended strand (participates in β ladder)trans-103.7139.3176.9-68.1-50.2000109.9T155 D163 F164 C166T155-N157 PolarHBondContact OG1-ND2 3.16Å; N157-D163 CarbonylContact O-C 3.58Å; N157-D163 WeakPolarHBondContact O-CA 3.27Å; N157-F164 HydrophobicContact CB-CD1 4.41Å; N157-F164 HydrophobicContact CB-CD2 4.17Å; N157-F164 HydrophobicContact CB-CE1 3.91Å; N157-F164 HydrophobicContact CB-CE2 3.61Å; N157-F164 HydrophobicContact CB-CZ 3.48Å; N157-F164 VanDerWaalsContact CB-CZ 3.48Å; N157-F164 PolarHBondContact N-O 3.33Å; N157-F164 PolarHBondContact O-N 3.47Å; N157-C166 WeakPolarHBondContact ND2-CB 3.42Å
158K83.9Confident86.6Confident149 Ų14944.9 Ų44.965%0.64823%0.231SC*.PPolyproline II helixtrans-93.5135174.4-57.3-158.7162.2-161.20109.9D163K158-D163 WeakPolarHBondContact CA-OD1 3.34Å; K158-D163 WeakPolarHBondContact CB-OD1 3.16Å; K158-D163 VanDerWaalsContact CG-OD1 3.3Å; K158-D163 WeakPolarHBondContact CG-OD1 3.42Å
159S77.7Confident87Confident46 Ų4643.8 Ų43.832%0.32223%0.225SC..  trans-136.7165171.282.60000111.1E161 G162S159-E161 PolarHBondContact O-N 3.39Å; S159-E161 PolarHBondContact OG-N 3.35Å; S159-G162 WeakPolarHBondContact CB-O 3.47Å; S159-G162 PolarHBondContact N-O 2.68Å; S159-G162 PolarHBondContact O-N 2.99Å; S159-G162 VanDerWaalsContact O-N 3.13Å; S159-G162 PolarHBondContact OG-N 2.81Å; S159-G162 PolarHBondContact OG-O 2.96Å
160E71.9Confident87.2Confident208 Ų20843.4 Ų43.497%0.97222%0.223SC*.THydrogen-bonded Turntrans-61-27.7175.3-64-176.9172.400112.4G162E160-G162 VanDerWaalsContact C-N 3.33Å
161E69.5Low87.3Confident179 Ų17940 Ų4084%0.83621%0.208SC*.THydrogen-bonded Turntrans-86.9-2.1179.7-62.1-179.216900113.1S159S159-E161 PolarHBondContact O-N 3.39Å; S159-E161 PolarHBondContact OG-N 3.35Å
162G76.2Confident87.2Confident27 Ų2740.9 Ų40.928%0.27821%0.212SC..  trans126.9163.6-176.900000113.1S159 E160S159-G162 WeakPolarHBondContact CB-O 3.47Å; S159-G162 PolarHBondContact N-O 2.68Å; S159-G162 PolarHBondContact O-N 2.99Å; S159-G162 VanDerWaalsContact O-N 3.13Å; S159-G162 PolarHBondContact OG-N 2.81Å; S159-G162 PolarHBondContact OG-O 2.96Å; E160-G162 VanDerWaalsContact C-N 3.33Å
163D86.5Confident87.2Confident53 Ų5340.9 Ų40.928%0.28321%0.212SC..  trans-75.4137.4173.6-72.34.1000109.2V84 V156 N157 K158V84-D163 HydrophobicContact CG1-CB 4.27Å; V84-D163 HydrophobicContact CG2-CB 4.14Å; V156-D163 HydrophobicContact CG1-CB 4.37Å; N157-D163 CarbonylContact O-C 3.58Å; N157-D163 WeakPolarHBondContact O-CA 3.27Å; K158-D163 WeakPolarHBondContact CA-OD1 3.34Å; K158-D163 WeakPolarHBondContact CB-OD1 3.16Å; K158-D163 VanDerWaalsContact CG-OD1 3.3Å; K158-D163 WeakPolarHBondContact CG-OD1 3.42Å
164F87.9Confident87.2Confident30 Ų3040.2 Ų40.213%0.13221%0.208CC..EExtended strand (participates in β ladder)trans-134.9156.117866.1-94.6000111Y76 Y77 F78 N157 C166Y76-F164 HydrophobicContact CD1-CD2 4.1Å; Y76-F164 AromaticContact CD1-CE2 3.62Å; Y76-F164 HydrophobicContact CD1-CE2 3.62Å; Y76-F164 HydrophobicContact CD1-CZ 4.46Å; Y76-F164 HydrophobicContact CE1-CE2 4.15Å; Y77-F164 WeakPolarHBondContact O-CB 3.4Å; F78-F164 HydrophobicContact CD1-CB 3.69Å; F78-F164 HydrophobicContact CD1-CG 4.29Å; F78-F164 HydrophobicContact CE1-CB 3.78Å; F78-F164 AromaticContact CE1-CD1 3.87Å; F78-F164 HydrophobicContact CE1-CD1 3.87Å; F78-F164 AromaticContact CE1-CG 3.85Å; F78-F164 HydrophobicContact CE1-CG 3.85Å; F78-F164 HydrophobicContact CG-CB 4.25Å; F78-F164 HydrophobicContact CZ-CB 4.41Å; F78-F164 HydrophobicContact CZ-CD1 4.46Å; F78-F164 HydrophobicContact CZ-CG 4.26Å; N157-F164 HydrophobicContact CB-CD1 4.41Å; N157-F164 HydrophobicContact CB-CD2 4.17Å; N157-F164 HydrophobicContact CB-CE1 3.91Å; N157-F164 HydrophobicContact CB-CE2 3.61Å; N157-F164 HydrophobicContact CB-CZ 3.48Å; N157-F164 VanDerWaalsContact CB-CZ 3.48Å; N157-F164 PolarHBondContact N-O 3.33Å; N157-F164 PolarHBondContact O-N 3.47Å; F164-C166 HydrophobicContact CD2-CB 4.45Å; F164-C166 HydrophobicContact CE2-CB 4.15Å
165I90.1Very high87.2Confident0 Ų040.5 Ų40.50%021%0.209CC..EExtended strand (participates in β ladder)trans-96.6131.7178.2-58152.8000108.5Y76 Y77 T79 V84 S87 Y88 L91 V154 T155 V156Y76-I165 CarbonylContact C-O 3.53Å; Y76-I165 WeakPolarHBondContact CA-O 3.33Å; Y77-I165 HydrophobicContact CD1-CD1 3.8Å; Y77-I165 HydrophobicContact CE1-CD1 4.42Å; Y77-I165 PolarHBondContact N-O 3.3Å; Y77-I165 PolarHBondContact O-N 3Å; T79-I165 HydrophobicContact CG2-CD1 4.49Å; V84-I165 HydrophobicContact CG1-CG1 4.29Å; S87-I165 VanDerWaalsContact CB-CD1 3.47Å; Y88-I165 HydrophobicContact CD2-CG2 4.28Å; Y88-I165 VanDerWaalsContact N-CD1 3.32Å; L91-I165 HydrophobicContact CD2-CG2 3.73Å; V154-I165 HydrophobicContact CG1-CG2 3.84Å; T155-I165 CarbonylContact O-C 3.53Å; T155-I165 WeakPolarHBondContact O-CA 3.19Å; V156-I165 HydrophobicContact CG2-CG1 4.4Å
166C91.1Very high87.1Confident10 Ų1039.4 Ų39.47%0.06820%0.203CC..EExtended strand (participates in β ladder)trans-117.8118.7175.4179.60000109.9L75 Y76 V154 T155 N157 F164L75-C166 CarbonylContact O-C 3.56Å; L75-C166 VanDerWaalsContact O-CA 3.28Å; L75-C166 WeakPolarHBondContact O-CA 3.42Å; Y76-C166 HydrophobicContact CD1-CB 4.28Å; Y76-C166 HydrophobicContact CE1-CB 4.43Å; V154-C166 CarbonylContact C-O 3.58Å; V154-C166 WeakPolarHBondContact CA-O 3.35Å; T155-C166 PolarHBondContact N-O 3.22Å; T155-C166 PolarHBondContact O-N 3.25Å; T155-C166 PolarHBondContact OG1-O 3.16Å; T155-C166 VanDerWaalsContact OG1-O 3.11Å; N157-C166 WeakPolarHBondContact ND2-CB 3.42Å; F164-C166 HydrophobicContact CD2-CB 4.45Å; F164-C166 HydrophobicContact CE2-CB 4.15Å
167C91.1Very high87.1Confident1 Ų138 Ų381%0.00719%0.194CC..EExtended strand (participates in β ladder)trans-96.1132.3163.9-63.30000108.8Y10 D74 L75 L91 S153Y10-C167 VanDerWaalsContact OH-CB 3.3Å; Y10-C167 WeakPolarHBondContact OH-CB 3.45Å; D74-C167 CarbonylContact C-O 3.56Å; D74-C167 VanDerWaalsContact CA-O 3.31Å; D74-C167 WeakPolarHBondContact CA-O 3.38Å; L75-C167 HydrophobicContact CB-CB 4.23Å; L75-C167 HydrophobicContact CD2-CB 4.49Å; L75-C167 PolarHBondContact N-O 2.96Å; L75-C167 PolarHBondContact O-N 3.26Å; L91-C167 WeakPolarHBondContact CD2-SG 3.23Å; S153-C167 CarbonylContact O-C 3.58Å; S153-C167 VanDerWaalsContact O-CA 3.23Å; S153-C167 WeakPolarHBondContact O-CA 3.28Å
168S92Very high87.1Confident8 Ų835.2 Ų35.26%0.05618%0.179CC..EExtended strand (participates in β ladder)trans-131.7105.5178.2-1680000109.4R50 D74 E152 S153R50-S168 PolarHBondContact NH1-OG 2.94Å; D74-S168 VanDerWaalsContact OD1-CB 3.31Å; D74-S168 WeakPolarHBondContact OD1-CB 3.15Å; D74-S168 PolarHBondContact OD1-OG 2.95Å; E152-S168 CarbonylContact C-O 3.58Å; E152-S168 VanDerWaalsContact CA-O 3.24Å; E152-S168 WeakPolarHBondContact CA-O 3.41Å; S153-S168 PolarHBondContact N-O 3.08Å; S153-S168 PolarHBondContact O-N 3.43Å
169L92.6Very high87.3Confident0 Ų030.1 Ų30.10%016%0.158CC..EExtended strand (participates in β ladder)trans-92.1123178.917162.4000109.8V6 Y10 Y72 C73 W99 V151 E152 V171 A174V6-L169 HydrophobicContact CG1-CD2 4.28Å; Y10-L169 HydrophobicContact CD1-CD2 4.41Å; Y10-L169 HydrophobicContact CD2-CB 4.46Å; Y10-L169 HydrophobicContact CD2-CD2 3.4Å; Y10-L169 HydrophobicContact CD2-CG 4.49Å; Y10-L169 HydrophobicContact CE2-CB 3.92Å; Y10-L169 HydrophobicContact CE2-CD2 3.72Å; Y10-L169 HydrophobicContact CE2-CG 4.38Å; Y10-L169 HydrophobicContact CG-CD2 3.76Å; Y72-L169 CarbonylContact C-O 3.48Å; Y72-L169 WeakPolarHBondContact CA-O 3.45Å; C73-L169 HydrophobicContact CB-CB 4.37Å; C73-L169 PolarHBondContact N-O 3.4Å; C73-L169 PolarHBondContact O-N 3.47Å; W99-L169 HydrophobicContact CH2-CD1 4.39Å; W99-L169 HydrophobicContact CZ2-CD1 3.59Å; V151-L169 HydrophobicContact CG1-CD1 4.2Å; E152-L169 HydrophobicContact CB-CD1 4.04Å; E152-L169 HydrophobicContact CG-CB 4.3Å; L169-V171 HydrophobicContact CG-CG2 4.41Å; L169-V171 PolarHBondContact O-N 2.81Å; L169-A174 HydrophobicContact CD1-CB 3.98Å
170N93Very high87.8Confident2 Ų230.4 Ų30.41%0.01116%0.156CC..EExtended strand (participates in β ladder)trans-81.9109.2163.9-176-37.9000109Y72 V151 D172 A173 A174Y72-N170 HydrophobicContact CD1-CB 4.08Å; Y72-N170 HydrophobicContact CE1-CB 3.57Å; Y72-N170 VanDerWaalsContact CZ-ND2 3.34Å; Y72-N170 PolarHBondContact OH-ND2 3.27Å; V151-N170 WeakPolarHBondContact O-CB 3.24Å; V151-N170 PolarHBondContact O-N 3.5Å; N170-D172 PolarHBondContact OD1-N 2.94Å; N170-A173 HydrophobicContact CB-CB 3.89Å; N170-A173 PolarHBondContact O-N 2.98Å; N170-A173 WeakPolarHBondContact OD1-CB 3.49Å; N170-A173 PolarHBondContact OD1-N 3.42Å; N170-A174 VanDerWaalsContact O-CB 3.3Å; N170-A174 WeakPolarHBondContact O-CB 3.47Å; N170-A174 PolarHBondContact O-N 3.03Å
171V91.4Very high88.6Confident0 Ų021.2 Ų21.20%011%0.114CC..Hα-helixtrans-72.2-39-172.6-172.70000111F3 L7 T71 C73 L169 A174 V175F3-V171 HydrophobicContact CD1-CB 4.28Å; F3-V171 HydrophobicContact CD1-CG1 3.54Å; F3-V171 HydrophobicContact CE1-CB 4.08Å; F3-V171 HydrophobicContact CE1-CG1 3.8Å; F3-V171 HydrophobicContact CG-CG1 4.33Å; L7-V171 HydrophobicContact CD1-CB 4.35Å; L7-V171 HydrophobicContact CD1-CG1 4.07Å; L7-V171 HydrophobicContact CD1-CG2 3.41Å; L7-V171 VanDerWaalsContact CD1-CG2 3.41Å; T71-V171 HydrophobicContact CG2-CB 4.39Å; T71-V171 HydrophobicContact CG2-CG2 4.16Å; T71-V171 PolarHBondContact O-N 2.96Å; C73-V171 HydrophobicContact CB-CG2 4.2Å; L169-V171 HydrophobicContact CG-CG2 4.41Å; L169-V171 PolarHBondContact O-N 2.81Å; V171-A174 WeakPolarHBondContact O-CB 3.28Å; V171-A174 PolarHBondContact O-N 3.11Å; V171-V175 HydrophobicContact CG1-CG2 4.49Å; V171-V175 VanDerWaalsContact O-CG2 3.27Å; V171-V175 WeakPolarHBondContact O-CG2 3.43Å; V171-V175 PolarHBondContact O-N 3.16Å
172D90.8Very high89.5Confident20 Ų2012.9 Ų12.911%0.1078%0.075CC..Hα-helixtrans-62.2-45.8176-53.8-112.1000111.2F3 L60 Y64 C70 T71 N170 A174 V175 A176F3-D172 HydrophobicContact CE1-CB 4.47Å; F3-D172 HydrophobicContact CZ-CB 3.89Å; F3-D172 WeakPolarHBondContact CZ-OD1 3.43Å; L60-D172 HydrophobicContact CD1-CB 4.15Å; Y64-D172 HydrophobicContact CE2-CB 4.09Å; Y64-D172 PolarHBondContact OH-O 3.11Å; Y64-D172 VanDerWaalsContact OH-O 3.1Å; C70-D172 WeakPolarHBondContact CA-OD2 3.47Å; C70-D172 HydrophobicContact CB-CB 4.21Å; C70-D172 WeakPolarHBondContact CB-OD2 3.43Å; T71-D172 PolarHBondContact N-OD2 2.96Å; N170-D172 PolarHBondContact OD1-N 2.94Å; D172-A174 VanDerWaalsContact C-N 3.35Å; D172-V175 PolarHBondContact O-N 3.48Å; D172-A176 WeakPolarHBondContact O-CB 3.43Å; D172-A176 PolarHBondContact O-N 2.9Å
173A92.5Very high89.9Confident0 Ų014.5 Ų14.50%08%0.077CC..Hα-helixtrans-63.3-43.5177.300000111.4L56 L60 V151 N170 V175 A176 F177L56-A173 HydrophobicContact CD1-CB 4.36Å; L56-A173 HydrophobicContact CD2-CB 4.36Å; L60-A173 HydrophobicContact CD1-CB 4.31Å; L60-A173 HydrophobicContact CD2-CB 4.31Å; V151-A173 HydrophobicContact CG1-CB 4.46Å; N170-A173 HydrophobicContact CB-CB 3.89Å; N170-A173 PolarHBondContact O-N 2.98Å; N170-A173 WeakPolarHBondContact OD1-CB 3.49Å; N170-A173 PolarHBondContact OD1-N 3.42Å; A173-V175 PolarHBondContact O-N 2.66Å; A173-A176 PolarHBondContact O-N 3.17Å; A173-F177 HydrophobicContact CB-CD2 4.23Å; A173-F177 HydrophobicContact CB-CE2 3.8Å; A173-F177 HydrophobicContact CB-CZ 4.48Å; A173-F177 WeakPolarHBondContact O-CB 3.38Å; A173-F177 WeakPolarHBondContact O-CD2 3.26Å; A173-F177 VanDerWaalsContact O-CG 3.26Å; A173-F177 WeakPolarHBondContact O-CG 3.07Å; A173-F177 PolarHBondContact O-N 3.06Å
174A91.8Very high89.7Confident0 Ų017.5 Ų17.50%09%0.088CC..Hα-helixtrans-54.2-52.9174.700000112V6 W99 V151 L169 N170 V171 D172 I178V6-A174 HydrophobicContact CG1-CB 4.14Å; W99-A174 HydrophobicContact CH2-CB 3.47Å; W99-A174 VanDerWaalsContact CH2-CB 3.47Å; W99-A174 HydrophobicContact CZ2-CB 4.11Å; V151-A174 HydrophobicContact CG1-CB 3.86Å; L169-A174 HydrophobicContact CD1-CB 3.98Å; N170-A174 VanDerWaalsContact O-CB 3.3Å; N170-A174 WeakPolarHBondContact O-CB 3.47Å; N170-A174 PolarHBondContact O-N 3.03Å; V171-A174 WeakPolarHBondContact O-CB 3.28Å; V171-A174 PolarHBondContact O-N 3.11Å; D172-A174 VanDerWaalsContact C-N 3.35Å; A174-I178 WeakPolarHBondContact O-CB 3.46Å; A174-I178 WeakPolarHBondContact O-CD1 3.35Å; A174-I178 VanDerWaalsContact O-CG1 3.22Å; A174-I178 WeakPolarHBondContact O-CG1 3.48Å; A174-I178 PolarHBondContact O-N 2.97Å
175V89.9Confident88.9Confident5 Ų521.6 Ų21.63%0.0311%0.106CC..Hα-helixtrans-61.3-50.5179.2172.30000110.6V2 F3 V6 Y64 V171 D172 A173 F177 I178 L179V2-V175 HydrophobicContact CB-CG1 3.9Å; V2-V175 HydrophobicContact CB-CG2 4.32Å; V2-V175 HydrophobicContact CG1-CB 4.4Å; V2-V175 HydrophobicContact CG1-CG1 3.84Å; V2-V175 HydrophobicContact CG1-CG2 3.96Å; F3-V175 HydrophobicContact CD2-CG1 4.46Å; F3-V175 HydrophobicContact CD2-CG2 4.03Å; F3-V175 HydrophobicContact CE2-CB 4.37Å; F3-V175 HydrophobicContact CE2-CG1 4.4Å; F3-V175 HydrophobicContact CE2-CG2 4.21Å; F3-V175 HydrophobicContact CG-CG2 4.36Å; V6-V175 HydrophobicContact CG2-CG2 4.14Å; Y64-V175 WeakPolarHBondContact OH-CG1 3.31Å; V171-V175 HydrophobicContact CG1-CG2 4.49Å; V171-V175 VanDerWaalsContact O-CG2 3.27Å; V171-V175 WeakPolarHBondContact O-CG2 3.43Å; V171-V175 PolarHBondContact O-N 3.16Å; D172-V175 PolarHBondContact O-N 3.48Å; A173-V175 PolarHBondContact O-N 2.66Å; V175-F177 VanDerWaalsContact C-N 3.35Å; V175-F177 PolarHBondContact O-N 3.18Å; V175-I178 PolarHBondContact O-N 3.22Å; V175-L179 HydrophobicContact CG1-CD1 3.88Å; V175-L179 HydrophobicContact CG1-CG 4.37Å; V175-L179 WeakPolarHBondContact O-CB 3.19Å; V175-L179 VanDerWaalsContact O-CG 3.22Å; V175-L179 WeakPolarHBondContact O-CG 3.36Å; V175-L179 PolarHBondContact O-N 3.04Å
176A89.8Confident87.5Confident0 Ų023.6 Ų23.60%012%0.12CC..Hα-helixtrans-57.7-46.3-177.700000112.2L60 F63 Y64 D172 A173 L179 L180L60-A176 HydrophobicContact CD2-CB 3.74Å; F63-A176 HydrophobicContact CB-CB 4.33Å; F63-A176 HydrophobicContact CD1-CB 4.08Å; F63-A176 HydrophobicContact CD2-CB 3.84Å; F63-A176 HydrophobicContact CE1-CB 4.39Å; F63-A176 WeakPolarHBondContact CE1-O 3.28Å; F63-A176 HydrophobicContact CE2-CB 4.19Å; F63-A176 HydrophobicContact CG-CB 3.81Å; F63-A176 HydrophobicContact CZ-CB 4.46Å; Y64-A176 HydrophobicContact CE2-CB 4.05Å; Y64-A176 PolarHBondContact OH-N 3.18Å; D172-A176 WeakPolarHBondContact O-CB 3.43Å; D172-A176 PolarHBondContact O-N 2.9Å; A173-A176 PolarHBondContact O-N 3.17Å; A176-L179 WeakPolarHBondContact O-CB 3.46Å; A176-L179 PolarHBondContact O-N 3.35Å; A176-L180 WeakPolarHBondContact O-CB 3.3Å; A176-L180 PolarHBondContact O-N 2.91Å
177F91Very high86.1Confident0 Ų030.1 Ų30.10%015%0.153CC..Hα-helixtrans-79-30.7-175.8-56.6-35.2000113L56 A59 L60 F109 Y124 L149 V151 A173 V175 L179 L180 D181L56-F177 HydrophobicContact CD2-CE2 3.99Å; L56-F177 HydrophobicContact CD2-CZ 3.85Å; A59-F177 HydrophobicContact CB-CE1 4.39Å; L60-F177 HydrophobicContact CD2-CZ 4.32Å; F109-F177 HydrophobicContact CE1-CB 4.14Å; F109-F177 HydrophobicContact CZ-CB 3.69Å; Y124-F177 HydrophobicContact CD1-CB 4.47Å; Y124-F177 HydrophobicContact CD1-CD1 4.06Å; Y124-F177 HydrophobicContact CD1-CG 4.13Å; Y124-F177 HydrophobicContact CD2-CB 3.79Å; Y124-F177 HydrophobicContact CD2-CG 4.26Å; Y124-F177 HydrophobicContact CE2-CB 4.28Å; Y124-F177 HydrophobicContact CG-CB 3.88Å; Y124-F177 HydrophobicContact CG-CD1 4.23Å; Y124-F177 HydrophobicContact CG-CD2 4.11Å; Y124-F177 AromaticContact CG-CG 3.82Å; Y124-F177 HydrophobicContact CG-CG 3.82Å; L149-F177 HydrophobicContact CB-CE2 3.76Å; L149-F177 HydrophobicContact CB-CZ 3.68Å; L149-F177 HydrophobicContact CD1-CE1 3.65Å; L149-F177 HydrophobicContact CD1-CE2 4.31Å; L149-F177 HydrophobicContact CD1-CZ 3.41Å; L149-F177 VanDerWaalsContact CD1-CZ 3.41Å; L149-F177 HydrophobicContact CG-CZ 4.16Å; V151-F177 HydrophobicContact CG2-CD2 3.54Å; V151-F177 HydrophobicContact CG2-CE2 3.93Å; A173-F177 HydrophobicContact CB-CD2 4.23Å; A173-F177 HydrophobicContact CB-CE2 3.8Å; A173-F177 HydrophobicContact CB-CZ 4.48Å; A173-F177 WeakPolarHBondContact O-CB 3.38Å; A173-F177 WeakPolarHBondContact O-CD2 3.26Å; A173-F177 VanDerWaalsContact O-CG 3.26Å; A173-F177 WeakPolarHBondContact O-CG 3.07Å; A173-F177 PolarHBondContact O-N 3.06Å; V175-F177 VanDerWaalsContact C-N 3.35Å; V175-F177 PolarHBondContact O-N 3.18Å; F177-L179 VanDerWaalsContact C-N 3.34Å; F177-L180 PolarHBondContact O-N 3.07Å; F177-D181 VanDerWaalsContact O-CB 3.28Å; F177-D181 WeakPolarHBondContact O-CB 3.22Å; F177-D181 PolarHBondContact O-N 2.97Å
178I89.7Confident84.5Confident2 Ų239 Ų391%0.0120%0.195CC..Hα-helixtrans-61.9-45.7168.1-73.1166.9000109.8V6 W99 F109 A174 V175 L180 D181 S182 F199 V203V6-I178 HydrophobicContact CG2-CD1 4.29Å; W99-I178 HydrophobicContact CH2-CD1 4.26Å; W99-I178 HydrophobicContact CZ3-CD1 3.8Å; W99-I178 HydrophobicContact CZ3-CG1 3.96Å; F109-I178 HydrophobicContact CZ-CG1 4.37Å; A174-I178 WeakPolarHBondContact O-CB 3.46Å; A174-I178 WeakPolarHBondContact O-CD1 3.35Å; A174-I178 VanDerWaalsContact O-CG1 3.22Å; A174-I178 WeakPolarHBondContact O-CG1 3.48Å; A174-I178 PolarHBondContact O-N 2.97Å; V175-I178 PolarHBondContact O-N 3.22Å; I178-L180 VanDerWaalsContact C-N 3.35Å; I178-L180 PolarHBondContact O-N 2.96Å; I178-D181 PolarHBondContact O-N 2.61Å; I178-S182 WeakPolarHBondContact O-CB 3.18Å; I178-S182 PolarHBondContact O-N 3.47Å; I178-S182 PolarHBondContact O-OG 2.87Å; I178-F199 HydrophobicContact CG2-CD1 4.12Å; I178-F199 HydrophobicContact CG2-CE1 4.22Å; I178-V203 HydrophobicContact CD1-CB 4.31Å; I178-V203 HydrophobicContact CD1-CG1 4.03Å; I178-V203 HydrophobicContact CG2-CB 4.32Å; I178-V203 HydrophobicContact CG2-CG2 3.77Å
179L87.9Confident82.9Confident41 Ų4143.5 Ų43.522%0.21522%0.215CC..Hα-helixtrans-58.7-47.6176.8-72.2172.3000111.1V175 A176 F177 D181 S182 L183 F197 F199V175-L179 HydrophobicContact CG1-CD1 3.88Å; V175-L179 HydrophobicContact CG1-CG 4.37Å; V175-L179 WeakPolarHBondContact O-CB 3.19Å; V175-L179 VanDerWaalsContact O-CG 3.22Å; V175-L179 WeakPolarHBondContact O-CG 3.36Å; V175-L179 PolarHBondContact O-N 3.04Å; A176-L179 WeakPolarHBondContact O-CB 3.46Å; A176-L179 PolarHBondContact O-N 3.35Å; F177-L179 VanDerWaalsContact C-N 3.34Å; L179-D181 PolarHBondContact O-N 3.49Å; L179-S182 PolarHBondContact O-N 2.94Å; L179-L183 PolarHBondContact O-N 3.45Å; L179-F197 HydrophobicContact CD2-CE1 4.38Å; L179-F197 WeakPolarHBondContact O-CE1 3.2Å; L179-F199 HydrophobicContact CD2-CE1 3.84Å; L179-F199 HydrophobicContact CD2-CZ 3.57Å
180L87.9Confident81Confident53 Ų5350.3 Ų50.328%0.27726%0.259SS..Hα-helixtrans-59.7-47.6179.8-174.761.3000112.2F63 Y124 F127 A176 F177 I178 S182 L183F63-L180 HydrophobicContact CE1-CB 4.27Å; F63-L180 HydrophobicContact CZ-CB 3.85Å; F63-L180 HydrophobicContact CZ-CD1 4.13Å; F63-L180 HydrophobicContact CZ-CD2 4.14Å; F63-L180 HydrophobicContact CZ-CG 4.26Å; Y124-L180 HydrophobicContact CE1-CD2 3.75Å; Y124-L180 WeakPolarHBondContact OH-CD2 3.45Å; F127-L180 HydrophobicContact CE1-CD2 4.43Å; F127-L180 HydrophobicContact CE2-CD2 3.88Å; F127-L180 HydrophobicContact CZ-CD2 3.47Å; F127-L180 VanDerWaalsContact CZ-CD2 3.47Å; A176-L180 WeakPolarHBondContact O-CB 3.3Å; A176-L180 PolarHBondContact O-N 2.91Å; F177-L180 PolarHBondContact O-N 3.07Å; I178-L180 VanDerWaalsContact C-N 3.35Å; I178-L180 PolarHBondContact O-N 2.96Å; L180-S182 VanDerWaalsContact C-N 3.32Å; L180-S182 PolarHBondContact O-N 2.86Å; L180-L183 PolarHBondContact O-N 3.47Å
181D87.8Confident79.2Confident15 Ų1558.7 Ų58.78%0.0830%0.295CS..Hα-helixtrans-72.6-28.2-176.5-161.277000112.7S106 N108 F109 Y124 F177 I178 L179S106-D181 WeakPolarHBondContact CB-OD2 3.44Å; S106-D181 VanDerWaalsContact OG-CG 3.27Å; S106-D181 PolarHBondContact OG-OD1 2.74Å; S106-D181 PolarHBondContact OG-OD2 2.75Å; N108-D181 WeakPolarHBondContact CB-OD1 3.32Å; N108-D181 PolarHBondContact ND2-OD1 2.9Å; F109-D181 HydrophobicContact CE2-CB 3.98Å; Y124-D181 HydrophobicContact CE2-CB 4.24Å; F177-D181 VanDerWaalsContact O-CB 3.28Å; F177-D181 WeakPolarHBondContact O-CB 3.22Å; F177-D181 PolarHBondContact O-N 2.97Å; I178-D181 PolarHBondContact O-N 2.61Å; L179-D181 PolarHBondContact O-N 3.49Å
182S87.8Confident77.4Confident4 Ų464.4 Ų64.43%0.02833%0.33CS..Hα-helixtrans-77.2-20.8177.4-58.10000112.9I178 L179 L180 K184 F197 S198 F199I178-S182 WeakPolarHBondContact O-CB 3.18Å; I178-S182 PolarHBondContact O-N 3.47Å; I178-S182 PolarHBondContact O-OG 2.87Å; L179-S182 PolarHBondContact O-N 2.94Å; L180-S182 VanDerWaalsContact C-N 3.32Å; L180-S182 PolarHBondContact O-N 2.86Å; S182-K184 PolarHBondContact O-N 2.72Å; S182-F197 CarbonylContact O-C 3.59Å; S182-F197 WeakPolarHBondContact O-CA 3.19Å; S182-S198 PolarHBondContact O-N 2.96Å; S182-F199 VanDerWaalsContact CB-CE1 3.41Å; S182-F199 WeakPolarHBondContact OG-CD1 3.49Å; S182-F199 WeakPolarHBondContact OG-CE1 3.43Å
183L86.4Confident75.9Confident61 Ų6165.4 Ų65.432%0.31934%0.339SS..EExtended strand (participates in β ladder)trans-72.2109.3-179.1-172.965.1000110.3L179 L180 F185 F197L179-L183 PolarHBondContact O-N 3.45Å; L180-L183 PolarHBondContact O-N 3.47Å; L183-F185 HydrophobicContact CG-CD1 4.42Å; L183-F197 HydrophobicContact CB-CD1 4.1Å; L183-F197 HydrophobicContact CB-CE1 3.84Å; L183-F197 HydrophobicContact CD1-CD1 4.08Å; L183-F197 HydrophobicContact CD1-CE1 3.78Å; L183-F197 HydrophobicContact CD1-CE2 4.32Å; L183-F197 HydrophobicContact CD1-CG 4.49Å; L183-F197 HydrophobicContact CD1-CZ 3.9Å; L183-F197 HydrophobicContact CG-CE1 4.33Å
184K80.9Confident74.5Confident116 Ų11670.7 Ų70.750%0.50437%0.371SS..EExtended strand (participates in β ladder)trans-97125.7174.6-56.8-58.5-178.5-166.10109.5S182 G195 K196S182-K184 PolarHBondContact O-N 2.72Å; K184-G195 CarbonylContact O-C 3.4Å; K184-G195 WeakPolarHBondContact O-CA 3.1Å; K184-K196 PolarHBondContact N-O 2.9Å; K184-K196 PolarHBondContact O-N 2.83Å
185F72.2Confident73.4Confident115 Ų11571.7 Ų71.750%0.50438%0.38SS..  trans-132.7141170.953.5-87.4000108.7L183 L187L183-F185 HydrophobicContact CG-CD1 4.42Å; F185-L187 HydrophobicContact CD2-CD2 3.98Å; F185-L187 HydrophobicContact CD2-CG 4Å; F185-L187 HydrophobicContact CE2-CD1 4.21Å; F185-L187 HydrophobicContact CE2-CD2 3.82Å; F185-L187 HydrophobicContact CE2-CG 3.85Å
186S60.9Low73.1Confident42 Ų4276 Ų7629%0.29440%0.399SS..  trans-87.5122.9171.9-174.90000108.9E188S186-E188 VanDerWaalsContact C-N 3.29Å; S186-E188 PolarHBondContact OG-N 3.18Å
187L60.9Low73Confident148 Ų14879 Ų7978%0.77541%0.412SS*.SBendtrans-81.9-12.7170.4-71.3172.2000112.2F185F185-L187 HydrophobicContact CD2-CD2 3.98Å; F185-L187 HydrophobicContact CD2-CG 4Å; F185-L187 HydrophobicContact CE2-CD1 4.21Å; F185-L187 HydrophobicContact CE2-CD2 3.82Å; F185-L187 HydrophobicContact CE2-CG 3.85Å
188E57.3Low72.9Confident188 Ų18881.7 Ų81.788%0.87943%0.431SS*.SBendtrans-89.7-12.7-174.9-61.8-172.2172.200112.9S186S186-E188 VanDerWaalsContact C-N 3.29Å; S186-E188 PolarHBondContact OG-N 3.18Å
189E58.5Low72.8Confident101 Ų10182.1 Ų82.147%0.47243%0.433SS..SBendtrans-83.1136178-71.9-178.7159.400111.4K191 S193E189-K191 WeakPolarHBondContact CB-O 3.23Å; E189-K191 CarbonylContact O-C 3.52Å; E189-K191 PolarHBondContact O-N 3.33Å; E189-S193 WeakPolarHBondContact OE2-CB 3.3Å; E189-S193 PolarHBondContact OE2-OG 2.77Å
190P53.2Low72.7Confident143 Ų14381.6 Ų81.693%0.92943%0.429SS*.SBendtrans-64.8-13.9-175.924.5-33.3000113.7
191K55.7Low72.6Confident179 Ų17980.5 Ų80.578%0.77843%0.425SS*.SBendtrans-119.8126.1162.9-79.3179.4175.4176.90106.9E189 S193E189-K191 WeakPolarHBondContact CB-O 3.23Å; E189-K191 CarbonylContact O-C 3.52Å; E189-K191 PolarHBondContact O-N 3.33Å; K191-S193 PolarHBondContact O-N 2.92Å
192V53.5Low72.2Confident119 Ų11980 Ų8072%0.72142%0.423SS*.  trans-52.1105.9169.9-179.30000107.3
193S58.2Low72Confident42 Ų4279.9 Ų79.929%0.29442%0.422SS..  trans-63.2140.3176.434.80000108.5E189 K191 G195E189-S193 WeakPolarHBondContact OE2-CB 3.3Å; E189-S193 PolarHBondContact OE2-OG 2.77Å; K191-S193 PolarHBondContact O-N 2.92Å; S193-G195 PolarHBondContact O-N 3.44Å
194V63.3Low72Confident111 Ų11177.1 Ų77.167%0.67341%0.407SS*.  trans-56.9112.9174.5-177.30000106.7K196 M279V194-K196 PolarHBondContact O-N 2.91Å; V194-M279 HydrophobicContact CB-SD 4.06Å; V194-M279 HydrophobicContact CG1-SD 3.71Å
195G68.9Low72.1Confident20 Ų2072.2 Ų72.221%0.20639%0.387CS..PPolyproline II helixtrans-57.1136-170.600000111.1K184 S193K184-G195 CarbonylContact O-C 3.4Å; K184-G195 WeakPolarHBondContact O-CA 3.1Å; S193-G195 PolarHBondContact O-N 3.44Å
196K83.4Confident72.7Confident97 Ų9770.2 Ų70.242%0.42238%0.377SS..EExtended strand (participates in β ladder)trans-98.1135.5176.3-66.8-173.1178.3-172.70109.1K184 V194 M279K184-K196 PolarHBondContact N-O 2.9Å; K184-K196 PolarHBondContact O-N 2.83Å; V194-K196 PolarHBondContact O-N 2.91Å; K196-M279 HydrophobicContact CG-CG 4.19Å
197F87.9Confident74Confident62 Ų6268.7 Ų68.727%0.27237%0.365SS..EExtended strand (participates in β ladder)trans-77.7130.7171.1-69.1-73.4000111L179 S182 L183 F199 M279 G281L179-F197 HydrophobicContact CD2-CE1 4.38Å; L179-F197 WeakPolarHBondContact O-CE1 3.2Å; S182-F197 CarbonylContact O-C 3.59Å; S182-F197 WeakPolarHBondContact O-CA 3.19Å; L183-F197 HydrophobicContact CB-CD1 4.1Å; L183-F197 HydrophobicContact CB-CE1 3.84Å; L183-F197 HydrophobicContact CD1-CD1 4.08Å; L183-F197 HydrophobicContact CD1-CE1 3.78Å; L183-F197 HydrophobicContact CD1-CE2 4.32Å; L183-F197 HydrophobicContact CD1-CG 4.49Å; L183-F197 HydrophobicContact CD1-CZ 3.9Å; L183-F197 HydrophobicContact CG-CE1 4.33Å; F197-F199 HydrophobicContact CB-CD2 3.94Å; F197-F199 HydrophobicContact CB-CE1 4.44Å; F197-F199 HydrophobicContact CB-CE2 3.34Å; F197-F199 HydrophobicContact CB-CZ 3.61Å; F197-F199 HydrophobicContact CD1-CE1 4.24Å; F197-F199 HydrophobicContact CD1-CE2 4.27Å; F197-F199 AromaticContact CD1-CZ 3.64Å; F197-F199 HydrophobicContact CD1-CZ 3.64Å; F197-F199 HydrophobicContact CD2-CE2 4.43Å; F197-F199 HydrophobicContact CD2-CZ 4.4Å; F197-F199 HydrophobicContact CE1-CZ 4.41Å; F197-F199 AromaticContact CG-CE2 3.8Å; F197-F199 HydrophobicContact CG-CE2 3.8Å; F197-F199 AromaticContact CG-CZ 3.63Å; F197-F199 HydrophobicContact CG-CZ 3.63Å; F197-M279 VanDerWaalsContact CD2-O 3.28Å; F197-M279 WeakPolarHBondContact CD2-O 3.16Å; F197-M279 PolarHBondContact N-O 3.13Å; F197-G281 WeakPolarHBondContact O-CA 3Å
198S88.5Confident75.5Confident57 Ų5761.6 Ų61.640%0.39933%0.328SS..  trans-115.285.2173.3-175.30000109.1N104 S182N104-S198 PolarHBondContact ND2-O 3.41Å; S182-S198 PolarHBondContact O-N 2.96Å
199F87.3Confident77.2Confident11 Ų1152.7 Ų52.75%0.04829%0.286CS..  trans-85.7145.3178.8-64.1-63.1000111.9I178 L179 S182 F197 A204 P205I178-F199 HydrophobicContact CG2-CD1 4.12Å; I178-F199 HydrophobicContact CG2-CE1 4.22Å; L179-F199 HydrophobicContact CD2-CE1 3.84Å; L179-F199 HydrophobicContact CD2-CZ 3.57Å; S182-F199 VanDerWaalsContact CB-CE1 3.41Å; S182-F199 WeakPolarHBondContact OG-CD1 3.49Å; S182-F199 WeakPolarHBondContact OG-CE1 3.43Å; F197-F199 HydrophobicContact CB-CD2 3.94Å; F197-F199 HydrophobicContact CB-CE1 4.44Å; F197-F199 HydrophobicContact CB-CE2 3.34Å; F197-F199 HydrophobicContact CB-CZ 3.61Å; F197-F199 HydrophobicContact CD1-CE1 4.24Å; F197-F199 HydrophobicContact CD1-CE2 4.27Å; F197-F199 AromaticContact CD1-CZ 3.64Å; F197-F199 HydrophobicContact CD1-CZ 3.64Å; F197-F199 HydrophobicContact CD2-CE2 4.43Å; F197-F199 HydrophobicContact CD2-CZ 4.4Å; F197-F199 HydrophobicContact CE1-CZ 4.41Å; F197-F199 AromaticContact CG-CE2 3.8Å; F197-F199 HydrophobicContact CG-CE2 3.8Å; F197-F199 AromaticContact CG-CZ 3.63Å; F197-F199 HydrophobicContact CG-CZ 3.63Å; F199-A204 HydrophobicContact CB-CB 3.76Å; F199-A204 HydrophobicContact CG-CB 4.42Å; F199-P205 HydrophobicContact CE2-CG 4.26Å
200H86.7Confident78.9Confident30 Ų3047.9 Ų47.914%0.13926%0.264CS..  trans-66.9143.4161.7-167.4-105.3000110.1E101 A102 N104 L202 V203 A204E101-H200 PolarHBondContact O-CD2 3.24Å; E101-H200 IonicContact OE1-CE1 3.83Å; E101-H200 PolarHBondContact OE1-CE1 3.35Å; E101-H200 IonicContact OE1-NE2 3.93Å; A102-H200 WeakPolarHBondContact O-CB 3.37Å; N104-H200 WeakPolarHBondContact OD1-CB 3.47Å; N104-H200 PolarHBondContact OD1-CD2 3.24Å; H200-L202 VanDerWaalsContact CE1-CG 3.45Å; H200-L202 WeakPolarHBondContact CE1-CG 3.29Å; H200-L202 WeakPolarHBondContact ND1-CB 3.34Å; H200-L202 WeakPolarHBondContact ND1-CD1 3.41Å; H200-L202 WeakPolarHBondContact ND1-CG 3.49Å; H200-L202 PolarHBondContact ND1-N 2.94Å; H200-L202 PolarHBondContact O-N 3.47Å; H200-V203 HydrophobicContact CB-CG2 4.31Å; H200-V203 PolarHBondContact O-N 2.99Å; H200-A204 PolarHBondContact O-N 3.47Å
201P84.8Confident80.9Confident29 Ų2941 Ų4119%0.18822%0.219CC..THydrogen-bonded Turntrans-55.4-22.1178.2-25.733.4000115.2V203 K207 L283 L324P201-V203 VanDerWaalsContact C-N 3.33Å; P201-K207 WeakPolarHBondContact O-CE 3.42Å; P201-L283 HydrophobicContact CB-CD1 3.86Å; P201-L283 HydrophobicContact CG-CD1 4.02Å; P201-L324 HydrophobicContact CB-CD2 4.34Å; P201-L324 HydrophobicContact CG-CD2 4.34Å
202L80.3Confident82.8Confident6 Ų632.6 Ų32.63%0.03118%0.183CC..THydrogen-bonded Turntrans-66.1-32.9175.5-67.4175.1000113.5K9 E101 H200 P326K9-L202 HydrophobicContact CD-CB 4.43Å; K9-L202 HydrophobicContact CD-CD2 4.14Å; K9-L202 VanDerWaalsContact CD-O 3.3Å; K9-L202 WeakPolarHBondContact CD-O 3.37Å; K9-L202 WeakPolarHBondContact CE-O 3.35Å; E101-L202 HydrophobicContact CG-CD1 4.17Å; H200-L202 VanDerWaalsContact CE1-CG 3.45Å; H200-L202 WeakPolarHBondContact CE1-CG 3.29Å; H200-L202 WeakPolarHBondContact ND1-CB 3.34Å; H200-L202 WeakPolarHBondContact ND1-CD1 3.41Å; H200-L202 WeakPolarHBondContact ND1-CG 3.49Å; H200-L202 PolarHBondContact ND1-N 2.94Å; H200-L202 PolarHBondContact O-N 3.47Å; L202-P326 HydrophobicContact CD2-CG 4.06Å; L202-P326 HydrophobicContact CG-CG 4.44Å
203V84.1Confident84.7Confident1 Ų127 Ų271%0.00615%0.148CC..THydrogen-bonded Turntrans-122.4-3.7-169.6-61.80000113.9W98 A102 I178 H200 P201W98-V203 HydrophobicContact CH2-CG1 4.38Å; A102-V203 HydrophobicContact CB-CG1 3.85Å; A102-V203 WeakPolarHBondContact O-CG2 3.29Å; I178-V203 HydrophobicContact CD1-CB 4.31Å; I178-V203 HydrophobicContact CD1-CG1 4.03Å; I178-V203 HydrophobicContact CG2-CB 4.32Å; I178-V203 HydrophobicContact CG2-CG2 3.77Å; H200-V203 HydrophobicContact CB-CG2 4.31Å; H200-V203 PolarHBondContact O-N 2.99Å; P201-V203 VanDerWaalsContact C-N 3.33Å
204A84.9Confident86.4Confident2 Ų225.1 Ų25.12%0.01714%0.136CC..  trans-57.5127.6175.700000111.1F199 H200 Y206 L283F199-A204 HydrophobicContact CB-CB 3.76Å; F199-A204 HydrophobicContact CG-CB 4.42Å; H200-A204 PolarHBondContact O-N 3.47Å; A204-Y206 VanDerWaalsContact C-N 3.29Å; A204-Y206 PolarHBondContact O-N 3.31Å; A204-L283 HydrophobicContact CB-CD1 3.8Å; A204-L283 HydrophobicContact CB-CD2 4.22Å; A204-L283 HydrophobicContact CB-CG 4.04Å
205P82.7Confident87.7Confident13 Ų1321 Ų218%0.08411%0.111CC..SBendtrans-63.7-36.7-179.319.2-28000112.8V2 F199 H241V2-P205 HydrophobicContact CG2-CB 3.75Å; V2-P205 HydrophobicContact CG2-CG 4.05Å; F199-P205 HydrophobicContact CE2-CG 4.26Å; P205-H241 VanDerWaalsContact O-CB 3.28Å; P205-H241 WeakPolarHBondContact O-CB 3.36Å
206Y86.3Confident88.5Confident73 Ų7325.4 Ų25.429%0.28613%0.126SC..  trans-131.7118.3177.4-61.4-76.3000107.6M1 A204 C243 V282M1-Y206 HydrophobicContact CE-CD1 3.85Å; M1-Y206 HydrophobicContact CE-CE1 3.24Å; M1-Y206 HydrophobicContact SD-CE1 3.71Å; M1-Y206 PolarHBondContact SD-OH 3.39Å; A204-Y206 VanDerWaalsContact C-N 3.29Å; A204-Y206 PolarHBondContact O-N 3.31Å; Y206-C243 WeakPolarHBondContact CD1-SG 3.21Å; Y206-V282 WeakPolarHBondContact O-CA 3.48Å
207K88.1Confident88.5Confident10 Ų1027.5 Ų27.54%0.04314%0.142CC..SBendtrans-81.4-36178.7-68.3170.6-174.7159.40110.7P201 N239 F240 H241 L283 R284 L324 M325P201-K207 WeakPolarHBondContact O-CE 3.42Å; K207-N239 PolarHBondContact NZ-O 3.35Å; K207-F240 HydrophobicContact CB-CD1 4.13Å; K207-F240 HydrophobicContact CD-CD1 3.52Å; K207-F240 HydrophobicContact CD-CE1 3.76Å; K207-F240 HydrophobicContact CG-CD1 4.5Å; K207-H241 PolarHBondContact N-O 2.81Å; K207-L283 HydrophobicContact CB-CD1 4.4Å; K207-L283 HydrophobicContact CG-CD1 4.23Å; K207-L283 WeakPolarHBondContact O-CB 3.49Å; K207-L283 PolarHBondContact O-N 3.32Å; K207-R284 PolarHBondContact O-N 2.62Å; K207-L324 HydrophobicContact CB-CD1 4.22Å; K207-M325 PolarHBondContact NZ-SD 3.31Å
208L92Very high88.4Confident0 Ų025.5 Ų25.50%014%0.136CC..EExtended strand (participates in β ladder)trans-126.3145.2-170.8-49.1175.3000111.9F235 F240 H241 H242 C243 R284 L320 L324L208-F235 HydrophobicContact CD1-CD1 4.09Å; L208-F235 HydrophobicContact CD1-CD2 3.91Å; L208-F235 HydrophobicContact CD1-CE1 4.17Å; L208-F235 HydrophobicContact CD1-CE2 3.98Å; L208-F235 HydrophobicContact CD1-CG 3.98Å; L208-F235 HydrophobicContact CD1-CZ 4.11Å; L208-F240 HydrophobicContact CD1-CB 3.89Å; L208-F240 HydrophobicContact CD1-CD1 4.13Å; L208-F240 HydrophobicContact CD1-CD2 4.48Å; L208-F240 HydrophobicContact CD1-CG 3.94Å; L208-F240 HydrophobicContact CG-CD1 4.36Å; L208-H241 PolarHBondContact N-O 2.92Å; L208-H242 HydrophobicContact CB-CB 3.89Å; L208-H242 CarbonylContact O-C 3.58Å; L208-H242 WeakPolarHBondContact O-CA 3.42Å; L208-C243 PolarHBondContact O-N 2.66Å; L208-R284 CarbonylContact C-O 3.53Å; L208-R284 WeakPolarHBondContact CA-O 3.43Å; L208-R284 HydrophobicContact CD2-CB 3.73Å; L208-R284 HydrophobicContact CD2-CG 4.27Å; L208-L320 HydrophobicContact CD1-CD1 3.82Å; L208-L320 HydrophobicContact CD2-CD1 3.86Å; L208-L320 HydrophobicContact CD2-CD2 4Å; L208-L320 HydrophobicContact CD2-CG 4.47Å; L208-L324 HydrophobicContact CD2-CD1 3.63Å
209L92.9Very high88.4Confident0 Ų030.4 Ų30.40%016%0.157CC..EExtended strand (participates in β ladder)trans-105117.7156.717164.1000108C243 R245 V273 W274 F277 V282 R284 I285 V286L209-C243 HydrophobicContact CD1-CB 3.94Å; L209-R245 HydrophobicContact CD1-CB 4.25Å; L209-V273 HydrophobicContact CD2-CG1 4.19Å; L209-W274 HydrophobicContact CD2-CE3 4.17Å; L209-F277 HydrophobicContact CD1-CD1 4.34Å; L209-F277 HydrophobicContact CD1-CD2 3.88Å; L209-F277 HydrophobicContact CD1-CE1 4.29Å; L209-F277 HydrophobicContact CD1-CE2 3.83Å; L209-F277 HydrophobicContact CD1-CG 4.14Å; L209-F277 HydrophobicContact CD1-CZ 4.04Å; L209-F277 HydrophobicContact CD2-CB 4.06Å; L209-F277 HydrophobicContact CD2-CD2 3.64Å; L209-F277 HydrophobicContact CD2-CE2 4.33Å; L209-F277 HydrophobicContact CD2-CG 3.95Å; L209-F277 HydrophobicContact CG-CD2 4.35Å; L209-F277 HydrophobicContact CG-CG 4.48Å; L209-V282 HydrophobicContact CB-CG1 3.99Å; L209-R284 PolarHBondContact N-O 2.94Å; L209-I285 HydrophobicContact CB-CG1 4.24Å; L209-I285 HydrophobicContact CD2-CD1 3.94Å; L209-I285 HydrophobicContact CD2-CG1 4.08Å; L209-I285 HydrophobicContact CG-CG1 4.15Å; L209-I285 CarbonylContact O-C 3.55Å; L209-I285 VanDerWaalsContact O-CA 3.32Å; L209-I285 WeakPolarHBondContact O-CA 3.37Å; L209-I285 WeakPolarHBondContact O-CG1 3.43Å; L209-V286 PolarHBondContact O-N 3.24Å
210V95.3Very high88.6Confident0 Ų031.1 Ų31.10%016%0.164CC..EExtended strand (participates in β ladder)trans-89.2113.7168.1-174.10000108T228 L231 R232 F235 H242 C243 Y244 R245 V286V210-T228 HydrophobicContact CG1-CG2 3.83Å; V210-L231 HydrophobicContact CG1-CD2 4.47Å; V210-R232 HydrophobicContact CB-CG 4.25Å; V210-R232 HydrophobicContact CG1-CG 4.13Å; V210-R232 HydrophobicContact CG2-CG 4.19Å; V210-F235 HydrophobicContact CG2-CD2 3.8Å; V210-F235 HydrophobicContact CG2-CE2 3.75Å; V210-H242 HydrophobicContact CG2-CB 4.35Å; V210-C243 PolarHBondContact N-O 2.87Å; V210-Y244 WeakPolarHBondContact O-CA 3.4Å; V210-R245 PolarHBondContact O-N 2.67Å; V210-V286 CarbonylContact C-O 3.5Å; V210-V286 WeakPolarHBondContact CA-O 3.2Å
211L94.9Very high88.9Confident0 Ų034.6 Ų34.60%018%0.178CC..EExtended strand (participates in β ladder)trans-106.7116.5-177.6-165.669000110.1I213 R245 I247 V270 V273 I285 V286 I287 V288L211-I213 HydrophobicContact CD2-CD1 3.98Å; L211-I213 HydrophobicContact CD2-CG1 4.04Å; L211-I213 HydrophobicContact CG-CG1 4.08Å; L211-R245 WeakPolarHBondContact CA-O 3.27Å; L211-R245 HydrophobicContact CD1-CB 3.96Å; L211-R245 HydrophobicContact CD1-CG 4.5Å; L211-I247 HydrophobicContact CD1-CD1 3.72Å; L211-I247 HydrophobicContact CD1-CG1 3.89Å; L211-I247 HydrophobicContact CD2-CD1 3.98Å; L211-I247 HydrophobicContact CG-CD1 4.25Å; L211-V270 HydrophobicContact CD2-CB 4.41Å; L211-V270 HydrophobicContact CD2-CG1 3.71Å; L211-V270 HydrophobicContact CD2-CG2 4.22Å; L211-V273 HydrophobicContact CD1-CG1 3.99Å; L211-I285 HydrophobicContact CB-CD1 4Å; L211-I285 HydrophobicContact CB-CG1 4.13Å; L211-I285 HydrophobicContact CD2-CD1 3.81Å; L211-I285 HydrophobicContact CG-CD1 4.48Å; L211-V286 PolarHBondContact N-O 3.05Å; L211-I287 HydrophobicContact CB-CG1 4.34Å; L211-I287 WeakPolarHBondContact O-CA 3.33Å; L211-V288 PolarHBondContact O-N 2.98Å
212E95.4Very high89.3Confident2 Ų237.9 Ų37.91%0.00920%0.198CC..EExtended strand (participates in β ladder)trans-95.1116.5174-171.7-168.2134.600109.1V214 I224 T228 Y244 R245 R246 I247E212-V214 HydrophobicContact CG-CG2 4Å; E212-V214 WeakPolarHBondContact OE1-CG2 3.24Å; E212-I224 HydrophobicContact CG-CG2 3.52Å; E212-T228 HydrophobicContact CB-CG2 4.18Å; E212-T228 HydrophobicContact CG-CG2 4.47Å; E212-Y244 HydrophobicContact CB-CE2 3.87Å; E212-Y244 WeakPolarHBondContact OE2-CE2 3.4Å; E212-Y244 PolarHBondContact OE2-OH 3.21Å; E212-R245 PolarHBondContact N-O 3.26Å; E212-R246 HydrophobicContact CB-CB 4.35Å; E212-R246 HydrophobicContact CB-CG 4.31Å; E212-R246 HydrophobicContact CG-CG 4.33Å; E212-R246 CarbonylContact O-C 3.56Å; E212-R246 WeakPolarHBondContact O-CA 3.34Å; E212-R246 WeakPolarHBondContact OE1-CD 3.13Å; E212-R246 IonicContact OE1-CZ 3.01Å; E212-R246 IonicContact OE1-NE 3Å; E212-R246 PolarHBondContact OE1-NE 3.26Å; E212-R246 IonicContact OE1-NH1 3.65Å; E212-R246 IonicContact OE1-NH2 3.52Å; E212-R246 PolarHBondContact OE1-NH2 2.66Å; E212-R246 VanDerWaalsContact OE1-NH2 3.12Å; E212-I247 PolarHBondContact O-N 3.09Å
213I93.4Very high90Very high0 Ų041.9 Ų41.90%022%0.216CC..EExtended strand (participates in β ladder)trans-108.9120.5-178.7-59.4-175.7000108.9L211 L249 F264 V270 I287 V288L211-I213 HydrophobicContact CD2-CD1 3.98Å; L211-I213 HydrophobicContact CD2-CG1 4.04Å; L211-I213 HydrophobicContact CG-CG1 4.08Å; I213-L249 HydrophobicContact CG2-CD1 3.34Å; I213-L249 HydrophobicContact CG2-CD2 4.3Å; I213-L249 HydrophobicContact CG2-CG 3.64Å; I213-F264 HydrophobicContact CB-CE1 4.42Å; I213-F264 HydrophobicContact CD1-CB 4.11Å; I213-F264 HydrophobicContact CD1-CD1 3.45Å; I213-F264 VanDerWaalsContact CD1-CD1 3.45Å; I213-F264 HydrophobicContact CD1-CD2 3.72Å; I213-F264 HydrophobicContact CD1-CE1 3.74Å; I213-F264 HydrophobicContact CD1-CE2 3.97Å; I213-F264 HydrophobicContact CD1-CG 3.45Å; I213-F264 VanDerWaalsContact CD1-CG 3.45Å; I213-F264 HydrophobicContact CD1-CZ 3.99Å; I213-F264 HydrophobicContact CG2-CD1 4.24Å; I213-F264 HydrophobicContact CG2-CE1 3.73Å; I213-F264 HydrophobicContact CG2-CZ 4.24Å; I213-V270 HydrophobicContact CD1-CG2 3.7Å; I213-V270 HydrophobicContact CG1-CG2 4.45Å; I213-I287 HydrophobicContact CD1-CG2 3.4Å; I213-I287 HydrophobicContact CG1-CG2 3.93Å; I213-V288 PolarHBondContact N-O 3.37Å
214V92.8Very high90.5Very high4 Ų441.9 Ų41.92%0.02422%0.216CC..EExtended strand (participates in β ladder)trans-130.4113.7-176.7-175.40000109.6E212 C218 K221 I224 I247 I248 L249E212-V214 HydrophobicContact CG-CG2 4Å; E212-V214 WeakPolarHBondContact OE1-CG2 3.24Å; V214-C218 HydrophobicContact CG1-CB 4.42Å; V214-K221 HydrophobicContact CG1-CB 4.27Å; V214-K221 HydrophobicContact CG1-CD 4.22Å; V214-K221 HydrophobicContact CG1-CG 3.97Å; V214-I224 HydrophobicContact CG2-CD1 4.41Å; V214-I224 HydrophobicContact CG2-CG2 4.03Å; V214-I247 PolarHBondContact N-O 3.14Å; V214-I248 CarbonylContact O-C 3.51Å; V214-I248 WeakPolarHBondContact O-CA 3.41Å; V214-L249 PolarHBondContact O-N 2.94Å
215P90.3Very high91Very high24 Ų2446.1 Ų46.116%0.15624%0.236CC..EExtended strand (participates in β ladder)trans-59.6145168.2-21.332.1000111.4N217 C218 P290P215-N217 PolarHBondContact O-N 3.02Å; P215-C218 HydrophobicContact CB-CB 4.11Å; P215-C218 HydrophobicContact CG-CB 4.1Å; P215-C218 PolarHBondContact O-N 3.29Å; P215-C218 VanDerWaalsContact O-N 3.1Å; P215-P290 HydrophobicContact CG-CG 3.83Å
216E86.9Confident91.6Very high113 Ų11348.1 Ų48.153%0.52825%0.246SC..THydrogen-bonded Turntrans-49.2-35.8-178.2-81.5175.2164.400113.9I248 L249E216-I248 HydrophobicContact CB-CG2 4.4Å; E216-I248 HydrophobicContact CG-CG2 3.48Å; E216-I248 VanDerWaalsContact CG-CG2 3.48Å; E216-L249 PolarHBondContact N-O 3.06Å
217N83.6Confident92Very high141 Ų14146.8 Ų46.875%0.75424%0.243SC*.THydrogen-bonded Turntrans-117.138-178.3-58.1-35.5000112.8P215P215-N217 PolarHBondContact O-N 3.02Å
218C85.6Confident92.4Very high20 Ų2046.3 Ų46.314%0.13524%0.241CC..  trans-79.9122.1175.3148.90000111.4V214 P215 C220 K221 I224V214-C218 HydrophobicContact CG1-CB 4.42Å; P215-C218 HydrophobicContact CB-CB 4.11Å; P215-C218 HydrophobicContact CG-CB 4.1Å; P215-C218 PolarHBondContact O-N 3.29Å; P215-C218 VanDerWaalsContact O-N 3.1Å; C218-C220 WeakPolarHBondContact CB-SG 3.41Å; C218-C220 PolarHBondContact O-N 3Å; C218-C220 WeakPolarHBondContact SG-CA 3.33Å; C218-C220 WeakPolarHBondContact SG-CB 3.25Å; C218-C220 PolarHBondContact SG-N 2.92Å; C218-C220 CovalentContact SG-SG 2.08Å; C218-C220 PolarHBondContact SG-SG 3.48Å; C218-K221 WeakPolarHBondContact O-CB 3.24Å; C218-K221 PolarHBondContact O-N 3.3Å; C218-K221 PolarHBondContact SG-N 3.36Å; C218-I224 VanDerWaalsContact SG-CD1 3.53Å
219D88.2Confident92.6Very high159 Ų15953.3 Ų53.385%0.8527%0.268SS*.THydrogen-bonded Turntrans-65-31173.7-60.7-34.4000111.7K221D219-K221 PolarHBondContact O-N 2.96Å
220C91.1Very high92.6Very high27 Ų2761 Ų6118%0.18230%0.297CS..THydrogen-bonded Turntrans-749.6179.343.40000116.3C218 T222 E223 I224C218-C220 WeakPolarHBondContact CB-SG 3.41Å; C218-C220 PolarHBondContact O-N 3Å; C218-C220 WeakPolarHBondContact SG-CA 3.33Å; C218-C220 WeakPolarHBondContact SG-CB 3.25Å; C218-C220 PolarHBondContact SG-N 2.92Å; C218-C220 CovalentContact SG-SG 2.08Å; C218-C220 PolarHBondContact SG-SG 3.48Å; C220-T222 VanDerWaalsContact C-N 3.31Å; C220-T222 PolarHBondContact O-N 2.89Å; C220-E223 VanDerWaalsContact C-OE2 3.22Å; C220-E223 WeakPolarHBondContact CA-OE2 2.97Å; C220-E223 PolarHBondContact O-N 3.03Å; C220-I224 HydrophobicContact CB-CD1 4.39Å; C220-I224 WeakPolarHBondContact O-CG1 3.35Å; C220-I224 PolarHBondContact O-N 2.63Å; C220-I224 VanDerWaalsContact O-N 3.08Å
221K93.1Very high92.6Very high102 Ų10261.7 Ų61.744%0.44330%0.3SS..Hα-helixtrans-61.6-39.2-166.5175.4173.7170.8-176.70112.6V214 C218 D219 E225 R246V214-K221 HydrophobicContact CG1-CB 4.27Å; V214-K221 HydrophobicContact CG1-CD 4.22Å; V214-K221 HydrophobicContact CG1-CG 3.97Å; C218-K221 WeakPolarHBondContact O-CB 3.24Å; C218-K221 PolarHBondContact O-N 3.3Å; C218-K221 PolarHBondContact SG-N 3.36Å; D219-K221 PolarHBondContact O-N 2.96Å; K221-E225 WeakPolarHBondContact O-CB 3.38Å; K221-E225 PolarHBondContact O-N 3.22Å; K221-E225 VanDerWaalsContact O-N 3.15Å; K221-R246 VanDerWaalsContact CG-NH2 3.31Å
222T93.8Very high92.5Very high98 Ų9865 Ų6560%0.60131%0.313SS*.Hα-helixtrans-67.3-38.6179.930.20000112.6C220 E225 D226C220-T222 VanDerWaalsContact C-N 3.31Å; C220-T222 PolarHBondContact O-N 2.89Å; T222-E225 PolarHBondContact O-N 3.07Å; T222-D226 PolarHBondContact O-N 3.31Å
223E95.2Very high92.3Very high91 Ų9172 Ų7243%0.42534%0.34SS..Hα-helixtrans-69.4-44.2-179.5-68.178.2177.700110.4C220 E225 D226 L227 V293C220-E223 VanDerWaalsContact C-OE2 3.22Å; C220-E223 WeakPolarHBondContact CA-OE2 2.97Å; C220-E223 PolarHBondContact O-N 3.03Å; E223-E225 VanDerWaalsContact C-N 3.29Å; E223-E225 PolarHBondContact O-N 2.99Å; E223-D226 PolarHBondContact O-N 3.1Å; E223-L227 VanDerWaalsContact O-CB 3.31Å; E223-L227 WeakPolarHBondContact O-CB 3.45Å; E223-L227 VanDerWaalsContact O-CG 3.28Å; E223-L227 WeakPolarHBondContact O-CG 3.38Å; E223-L227 PolarHBondContact O-N 2.84Å; E223-V293 HydrophobicContact CB-CG1 3.83Å; E223-V293 HydrophobicContact CB-CG2 4.04Å; E223-V293 HydrophobicContact CG-CG1 4.33Å
224I95Very high92.2Very high0 Ų073.6 Ų73.60%035%0.351CS..Hα-helixtrans-58.6-44.6173.6-65.9170000110.3E212 V214 C218 C220 T228 V288 P290 V293E212-I224 HydrophobicContact CG-CG2 3.52Å; V214-I224 HydrophobicContact CG2-CD1 4.41Å; V214-I224 HydrophobicContact CG2-CG2 4.03Å; C218-I224 VanDerWaalsContact SG-CD1 3.53Å; C220-I224 HydrophobicContact CB-CD1 4.39Å; C220-I224 WeakPolarHBondContact O-CG1 3.35Å; C220-I224 PolarHBondContact O-N 2.63Å; C220-I224 VanDerWaalsContact O-N 3.08Å; I224-T228 VanDerWaalsContact O-CB 3.29Å; I224-T228 WeakPolarHBondContact O-CB 3.22Å; I224-T228 PolarHBondContact O-N 2.7Å; I224-T228 PolarHBondContact O-OG1 2.79Å; I224-V288 HydrophobicContact CG2-CG1 4.22Å; I224-P290 HydrophobicContact CD1-CB 4.33Å; I224-P290 HydrophobicContact CD1-CG 3.77Å; I224-V293 HydrophobicContact CB-CG2 4.49Å; I224-V293 HydrophobicContact CG1-CG2 3.5Å; I224-V293 VanDerWaalsContact CG1-CG2 3.5Å
225E95.4Very high92.1Very high91 Ų9173.4 Ų73.443%0.42535%0.35SS..Hα-helixtrans-66.4-44.8-178.3-171.1166156.300111.7K221 T222 E223 T228 R229 R246K221-E225 WeakPolarHBondContact O-CB 3.38Å; K221-E225 PolarHBondContact O-N 3.22Å; K221-E225 VanDerWaalsContact O-N 3.15Å; T222-E225 PolarHBondContact O-N 3.07Å; E223-E225 VanDerWaalsContact C-N 3.29Å; E223-E225 PolarHBondContact O-N 2.99Å; E225-T228 PolarHBondContact O-N 2.78Å; E225-R229 WeakPolarHBondContact O-CB 3.45Å; E225-R229 PolarHBondContact O-N 2.85Å; E225-R246 IonicContact OE2-CZ 3.69Å; E225-R246 IonicContact OE2-NH1 2.95Å; E225-R246 PolarHBondContact OE2-NH1 3.19Å; E225-R246 IonicContact OE2-NH2 3.98Å
226D95.4Very high91.9Very high56 Ų5677.1 Ų77.130%0.29937%0.368SS..Hα-helixtrans-67.8-41.2177.9-166.353.2000112.3T222 E223 R229 R230T222-D226 PolarHBondContact O-N 3.31Å; E223-D226 PolarHBondContact O-N 3.1Å; D226-R229 PolarHBondContact O-N 3.03Å; D226-R229 IonicContact OD1-CZ 2.61Å; D226-R229 IonicContact OD1-NE 2.74Å; D226-R229 PolarHBondContact OD1-NE 3.09Å; D226-R229 IonicContact OD1-NH2 3.42Å; D226-R229 PolarHBondContact OD1-NH2 3.3Å; D226-R230 WeakPolarHBondContact O-CB 3.37Å; D226-R230 WeakPolarHBondContact O-CG 3.44Å; D226-R230 PolarHBondContact O-N 3.23Å; D226-R230 IonicContact OD2-CZ 3.45Å; D226-R230 IonicContact OD2-NE 3.33Å; D226-R230 PolarHBondContact OD2-NE 3.45Å; D226-R230 VanDerWaalsContact OD2-NE 3.15Å
227L94.9Very high91.8Very high45 Ų4577.3 Ų77.324%0.23637%0.372CS..Hα-helixtrans-60-47.5174.3-77.6171.6000111.3E223 R229 R230 L231 V288 V293 I313E223-L227 VanDerWaalsContact O-CB 3.31Å; E223-L227 WeakPolarHBondContact O-CB 3.45Å; E223-L227 VanDerWaalsContact O-CG 3.28Å; E223-L227 WeakPolarHBondContact O-CG 3.38Å; E223-L227 PolarHBondContact O-N 2.84Å; L227-R229 VanDerWaalsContact C-N 3.32Å; L227-R229 PolarHBondContact O-N 2.7Å; L227-R230 PolarHBondContact O-N 3.17Å; L227-L231 WeakPolarHBondContact O-CB 3.24Å; L227-L231 PolarHBondContact O-N 3.33Å; L227-V288 HydrophobicContact CB-CG1 4.29Å; L227-V293 HydrophobicContact CD1-CG2 3.9Å; L227-I313 HydrophobicContact CD2-CD1 4.04Å
228T95.7Very high91.7Very high0 Ų071.5 Ų71.50%034%0.344CS..Hα-helixtrans-60.7-44178-58.70000110.9V210 E212 I224 E225 R230 L231 R232 Y244 V288V210-T228 HydrophobicContact CG1-CG2 3.83Å; E212-T228 HydrophobicContact CB-CG2 4.18Å; E212-T228 HydrophobicContact CG-CG2 4.47Å; I224-T228 VanDerWaalsContact O-CB 3.29Å; I224-T228 WeakPolarHBondContact O-CB 3.22Å; I224-T228 PolarHBondContact O-N 2.7Å; I224-T228 PolarHBondContact O-OG1 2.79Å; E225-T228 PolarHBondContact O-N 2.78Å; T228-R230 PolarHBondContact O-N 3.12Å; T228-L231 PolarHBondContact O-N 2.95Å; T228-R232 HydrophobicContact CG2-CG 4.48Å; T228-R232 VanDerWaalsContact O-CG 3.31Å; T228-R232 WeakPolarHBondContact O-CG 3.46Å; T228-R232 PolarHBondContact O-N 3.36Å; T228-Y244 HydrophobicContact CG2-CD2 4.04Å; T228-Y244 HydrophobicContact CG2-CE2 3.75Å; T228-V288 WeakPolarHBondContact OG1-CB 3.47Å; T228-V288 WeakPolarHBondContact OG1-CG1 3.22Å
229R95.7Very high91.3Very high146 Ų14674.7 Ų74.755%0.55136%0.36SS*.Hα-helixtrans-60.3-46.8177.5-174-178.469.9121.5-2.1111.9E225 D226 L227 R232 Y233E225-R229 WeakPolarHBondContact O-CB 3.45Å; E225-R229 PolarHBondContact O-N 2.85Å; D226-R229 PolarHBondContact O-N 3.03Å; D226-R229 IonicContact OD1-CZ 2.61Å; D226-R229 IonicContact OD1-NE 2.74Å; D226-R229 PolarHBondContact OD1-NE 3.09Å; D226-R229 IonicContact OD1-NH2 3.42Å; D226-R229 PolarHBondContact OD1-NH2 3.3Å; L227-R229 VanDerWaalsContact C-N 3.32Å; L227-R229 PolarHBondContact O-N 2.7Å; R229-R232 PolarHBondContact O-N 2.84Å; R229-Y233 PolarHBondContact O-N 2.85Å
230R94.1Very high91.1Very high163 Ų16367.2 Ų67.262%0.61532%0.319SS*.Hα-helixtrans-61.3-43.2177-75.5172.9164.8-155.6-8111.9D226 L227 T228 Y233 S234D226-R230 WeakPolarHBondContact O-CB 3.37Å; D226-R230 WeakPolarHBondContact O-CG 3.44Å; D226-R230 PolarHBondContact O-N 3.23Å; D226-R230 IonicContact OD2-CZ 3.45Å; D226-R230 IonicContact OD2-NE 3.33Å; D226-R230 PolarHBondContact OD2-NE 3.45Å; D226-R230 VanDerWaalsContact OD2-NE 3.15Å; L227-R230 PolarHBondContact O-N 3.17Å; T228-R230 PolarHBondContact O-N 3.12Å; R230-Y233 PolarHBondContact O-N 3.45Å; R230-S234 WeakPolarHBondContact O-CB 3.39Å; R230-S234 PolarHBondContact O-N 3.48Å
231L93.6Very high90.7Very high13 Ų1368.5 Ų68.57%0.06832%0.323CS..Hα-helixtrans-63.6-47.1179.5-163.676.5000111.6V210 L227 T228 Y233 S234 F235 V286 V288 I313V210-L231 HydrophobicContact CG1-CD2 4.47Å; L227-L231 WeakPolarHBondContact O-CB 3.24Å; L227-L231 PolarHBondContact O-N 3.33Å; T228-L231 PolarHBondContact O-N 2.95Å; L231-Y233 VanDerWaalsContact C-N 3.33Å; L231-Y233 PolarHBondContact O-N 3.34Å; L231-S234 WeakPolarHBondContact O-CB 3.31Å; L231-S234 PolarHBondContact O-N 2.6Å; L231-F235 HydrophobicContact CD1-CE2 4.44Å; L231-F235 HydrophobicContact CD1-CZ 4.05Å; L231-F235 HydrophobicContact CD2-CE2 3.7Å; L231-F235 HydrophobicContact CD2-CZ 3.91Å; L231-F235 HydrophobicContact CG-CD2 4.28Å; L231-F235 HydrophobicContact CG-CE1 4.47Å; L231-F235 HydrophobicContact CG-CE2 3.58Å; L231-F235 HydrophobicContact CG-CZ 3.68Å; L231-F235 WeakPolarHBondContact O-CD2 3.27Å; L231-F235 WeakPolarHBondContact O-CG 3.3Å; L231-F235 PolarHBondContact O-N 2.81Å; L231-V286 HydrophobicContact CD2-CG1 3.64Å; L231-V288 HydrophobicContact CD2-CG2 3.96Å; L231-I313 HydrophobicContact CD1-CG2 4.1Å
232R93.8Very high90.5Very high70 Ų7065.6 Ų65.626%0.26431%0.31SS..Hα-helixtrans-58.7-43.4174.8-70.6-173.9-32.3-162.36.9112.4V210 T228 R229 S234 F235 L236 H242 Y244V210-R232 HydrophobicContact CB-CG 4.25Å; V210-R232 HydrophobicContact CG1-CG 4.13Å; V210-R232 HydrophobicContact CG2-CG 4.19Å; T228-R232 HydrophobicContact CG2-CG 4.48Å; T228-R232 VanDerWaalsContact O-CG 3.31Å; T228-R232 WeakPolarHBondContact O-CG 3.46Å; T228-R232 PolarHBondContact O-N 3.36Å; R229-R232 PolarHBondContact O-N 2.84Å; R232-S234 VanDerWaalsContact C-N 3.33Å; R232-S234 PolarHBondContact O-N 2.71Å; R232-F235 PolarHBondContact O-N 3.28Å; R232-L236 PolarHBondContact O-N 2.56Å; R232-H242 WeakPolarHBondContact CB-NE2 3.47Å; R232-H242 PolarHBondContact O-CE1 3.47Å; R232-Y244 VanDerWaalsContact NH1-CE1 3.31Å
233Y91.8Very high90.4Very high149 Ų14961.7 Ų61.758%0.58429%0.287SS*.Hα-helixtrans-62.7-42.2177.2-173.8-106.3000111.5R229 R230 L231 F235 L236 L237R229-Y233 PolarHBondContact O-N 2.85Å; R230-Y233 PolarHBondContact O-N 3.45Å; L231-Y233 VanDerWaalsContact C-N 3.33Å; L231-Y233 PolarHBondContact O-N 3.34Å; Y233-F235 VanDerWaalsContact C-N 3.33Å; Y233-F235 PolarHBondContact O-N 2.85Å; Y233-L236 WeakPolarHBondContact O-CB 3.32Å; Y233-L236 PolarHBondContact O-N 2.83Å; Y233-L237 HydrophobicContact CD1-CD1 3.98Å; Y233-L237 HydrophobicContact CD1-CG 4.44Å; Y233-L237 HydrophobicContact CE1-CD1 3.55Å; Y233-L237 HydrophobicContact CE1-CG 4.11Å; Y233-L237 WeakPolarHBondContact O-CG 3.23Å; Y233-L237 PolarHBondContact O-N 2.8Å
234S91.2Very high90.3Very high34 Ų3461.3 Ų61.324%0.23828%0.282CS..Hα-helixtrans-59.5-41.6173.7-171.50000112.3R230 L231 R232 L237 A238R230-S234 WeakPolarHBondContact O-CB 3.39Å; R230-S234 PolarHBondContact O-N 3.48Å; L231-S234 WeakPolarHBondContact O-CB 3.31Å; L231-S234 PolarHBondContact O-N 2.6Å; R232-S234 VanDerWaalsContact C-N 3.33Å; R232-S234 PolarHBondContact O-N 2.71Å; S234-L237 PolarHBondContact O-N 2.79Å; S234-A238 WeakPolarHBondContact O-CB 3.31Å; S234-A238 PolarHBondContact O-N 3.06Å; S234-A238 VanDerWaalsContact O-N 3.16Å
235F89.8Confident90.3Very high0 Ų068.2 Ų68.20%031%0.308CS..Hα-helixtrans-66.9-39.1175.3-67.2-29.7000113L208 V210 L231 R232 Y233 A238 N239 F240 V286 V316 K317 L320L208-F235 HydrophobicContact CD1-CD1 4.09Å; L208-F235 HydrophobicContact CD1-CD2 3.91Å; L208-F235 HydrophobicContact CD1-CE1 4.17Å; L208-F235 HydrophobicContact CD1-CE2 3.98Å; L208-F235 HydrophobicContact CD1-CG 3.98Å; L208-F235 HydrophobicContact CD1-CZ 4.11Å; V210-F235 HydrophobicContact CG2-CD2 3.8Å; V210-F235 HydrophobicContact CG2-CE2 3.75Å; L231-F235 HydrophobicContact CD1-CE2 4.44Å; L231-F235 HydrophobicContact CD1-CZ 4.05Å; L231-F235 HydrophobicContact CD2-CE2 3.7Å; L231-F235 HydrophobicContact CD2-CZ 3.91Å; L231-F235 HydrophobicContact CG-CD2 4.28Å; L231-F235 HydrophobicContact CG-CE1 4.47Å; L231-F235 HydrophobicContact CG-CE2 3.58Å; L231-F235 HydrophobicContact CG-CZ 3.68Å; L231-F235 WeakPolarHBondContact O-CD2 3.27Å; L231-F235 WeakPolarHBondContact O-CG 3.3Å; L231-F235 PolarHBondContact O-N 2.81Å; R232-F235 PolarHBondContact O-N 3.28Å; Y233-F235 VanDerWaalsContact C-N 3.33Å; Y233-F235 PolarHBondContact O-N 2.85Å; F235-A238 CarbonylContact O-C 3.56Å; F235-A238 PolarHBondContact O-N 2.88Å; F235-A238 VanDerWaalsContact O-N 3.16Å; F235-N239 PolarHBondContact O-N 3.29Å; F235-F240 HydrophobicContact CB-CB 3.87Å; F235-F240 HydrophobicContact CD1-CD2 4.22Å; F235-F240 HydrophobicContact CG-CB 4.42Å; F235-F240 WeakPolarHBondContact O-CB 3.47Å; F235-F240 PolarHBondContact O-N 3.14Å; F235-V286 HydrophobicContact CE2-CG1 4.41Å; F235-V286 HydrophobicContact CE2-CG2 4.35Å; F235-V286 HydrophobicContact CZ-CG1 4.32Å; F235-V286 HydrophobicContact CZ-CG2 4.24Å; F235-V316 HydrophobicContact CE1-CG1 4.11Å; F235-V316 HydrophobicContact CZ-CG1 3.77Å; F235-K317 HydrophobicContact CE1-CB 4.41Å; F235-L320 HydrophobicContact CE1-CD1 3.94Å; F235-L320 HydrophobicContact CZ-CD1 4.01Å
236L85.5Confident90.3Very high102 Ų10267 Ų6753%0.53430%0.3SS..Hα-helixtrans-59.3-47.8174.6-176.665.7000111.1R232 Y233 A238 N239R232-L236 PolarHBondContact O-N 2.56Å; Y233-L236 WeakPolarHBondContact O-CB 3.32Å; Y233-L236 PolarHBondContact O-N 2.83Å; L236-A238 PolarHBondContact O-N 2.82Å; L236-N239 PolarHBondContact O-N 2.81Å; L236-N239 VanDerWaalsContact O-N 3.08Å
237L84.9Confident90.2Very high117 Ų11765 Ų6561%0.61329%0.289SS*.Hα-helixtrans-61.9-27.8177-69178.7000113.1Y233 S234 N239Y233-L237 HydrophobicContact CD1-CD1 3.98Å; Y233-L237 HydrophobicContact CD1-CG 4.44Å; Y233-L237 HydrophobicContact CE1-CD1 3.55Å; Y233-L237 HydrophobicContact CE1-CG 4.11Å; Y233-L237 WeakPolarHBondContact O-CG 3.23Å; Y233-L237 PolarHBondContact O-N 2.8Å; S234-L237 PolarHBondContact O-N 2.79Å; L237-N239 VanDerWaalsContact C-N 3.34Å
238A82.4Confident90.1Very high19 Ų1967.4 Ų67.416%0.15730%0.301CS..THydrogen-bonded Turntrans-88.87.3177.900000113.9S234 F235 L236 F240 K317 L321S234-A238 WeakPolarHBondContact O-CB 3.31Å; S234-A238 PolarHBondContact O-N 3.06Å; S234-A238 VanDerWaalsContact O-N 3.16Å; F235-A238 CarbonylContact O-C 3.56Å; F235-A238 PolarHBondContact O-N 2.88Å; F235-A238 VanDerWaalsContact O-N 3.16Å; L236-A238 PolarHBondContact O-N 2.82Å; A238-F240 HydrophobicContact CB-CD2 3.89Å; A238-F240 HydrophobicContact CB-CE2 4.41Å; A238-F240 PolarHBondContact O-N 3.01Å; A238-K317 HydrophobicContact CB-CD 3.89Å; A238-K317 HydrophobicContact CB-CG 4.16Å; A238-L321 HydrophobicContact CB-CD2 4.44Å
239N77.2Confident89.9Confident87 Ų8767.5 Ų67.547%0.46530%0.301SS..THydrogen-bonded Turntrans56.432.8-174.4-68.2-38.1000114K207 F235 L236 L237 H241K207-N239 PolarHBondContact NZ-O 3.35Å; F235-N239 PolarHBondContact O-N 3.29Å; L236-N239 PolarHBondContact O-N 2.81Å; L236-N239 VanDerWaalsContact O-N 3.08Å; L237-N239 VanDerWaalsContact C-N 3.34Å; N239-H241 PolarHBondContact O-N 3.27Å
240F82.9Confident89.6Confident1 Ų163.6 Ų63.60%0.00429%0.292CS..  trans-87.397.2164.1-81.1-60000110K207 L208 F235 A238 H242 L320 L321 L324 M325K207-F240 HydrophobicContact CB-CD1 4.13Å; K207-F240 HydrophobicContact CD-CD1 3.52Å; K207-F240 HydrophobicContact CD-CE1 3.76Å; K207-F240 HydrophobicContact CG-CD1 4.5Å; L208-F240 HydrophobicContact CD1-CB 3.89Å; L208-F240 HydrophobicContact CD1-CD1 4.13Å; L208-F240 HydrophobicContact CD1-CD2 4.48Å; L208-F240 HydrophobicContact CD1-CG 3.94Å; L208-F240 HydrophobicContact CG-CD1 4.36Å; F235-F240 HydrophobicContact CB-CB 3.87Å; F235-F240 HydrophobicContact CD1-CD2 4.22Å; F235-F240 HydrophobicContact CG-CB 4.42Å; F235-F240 WeakPolarHBondContact O-CB 3.47Å; F235-F240 PolarHBondContact O-N 3.14Å; A238-F240 HydrophobicContact CB-CD2 3.89Å; A238-F240 HydrophobicContact CB-CE2 4.41Å; A238-F240 PolarHBondContact O-N 3.01Å; F240-H242 PolarHBondContact O-N 3.37Å; F240-H242 PolarHBondContact O-ND1 2.97Å; F240-L320 HydrophobicContact CE2-CB 3.99Å; F240-L320 VanDerWaalsContact CZ-C 3.42Å; F240-L320 HydrophobicContact CZ-CB 3.84Å; F240-L320 WeakPolarHBondContact CZ-O 3.06Å; F240-L321 HydrophobicContact CD2-CD2 4.39Å; F240-L321 HydrophobicContact CE2-CB 4.46Å; F240-L321 HydrophobicContact CE2-CD2 3.5Å; F240-L321 HydrophobicContact CE2-CG 3.69Å; F240-L321 HydrophobicContact CZ-CB 4.47Å; F240-L321 HydrophobicContact CZ-CD2 3.77Å; F240-L321 HydrophobicContact CZ-CG 4.11Å; F240-L324 HydrophobicContact CE1-CB 3.77Å; F240-L324 HydrophobicContact CE1-CD1 4.02Å; F240-L324 HydrophobicContact CZ-CB 4.34Å; F240-M325 HydrophobicContact CE1-CG 4.04Å; F240-M325 HydrophobicContact CZ-CG 3.99Å
241H83.4Confident89Confident55 Ų5559.5 Ų59.526%0.25529%0.288SS..  trans-62.4123.3166.1-58.3-38.2000109.4M1 C5 P205 K207 L208 N239M1-H241 HydrophobicContact CE-CB 4.08Å; C5-H241 PolarHBondContact SG-CD2 3.13Å; C5-H241 PolarHBondContact SG-NE2 3.48Å; P205-H241 VanDerWaalsContact O-CB 3.28Å; P205-H241 WeakPolarHBondContact O-CB 3.36Å; K207-H241 PolarHBondContact N-O 2.81Å; L208-H241 PolarHBondContact N-O 2.92Å; N239-H241 PolarHBondContact O-N 3.27Å
242H89.3Confident88.5Confident40 Ų4062 Ų6219%0.18531%0.311CS..EExtended strand (participates in β ladder)trans-137.6150.7-173.160.7-86.5000111.1L208 V210 R232 F240L208-H242 HydrophobicContact CB-CB 3.89Å; L208-H242 CarbonylContact O-C 3.58Å; L208-H242 WeakPolarHBondContact O-CA 3.42Å; V210-H242 HydrophobicContact CG2-CB 4.35Å; R232-H242 WeakPolarHBondContact CB-NE2 3.47Å; R232-H242 PolarHBondContact O-CE1 3.47Å; F240-H242 PolarHBondContact O-N 3.37Å; F240-H242 PolarHBondContact O-ND1 2.97Å
243C90.9Very high87.9Confident16 Ų1660.1 Ų60.111%0.10831%0.305CS..EExtended strand (participates in β ladder)trans-93.3157.2165.3-59.80000109.4Y206 L208 L209 V210 F277Y206-C243 WeakPolarHBondContact CD1-SG 3.21Å; L208-C243 PolarHBondContact O-N 2.66Å; L209-C243 HydrophobicContact CD1-CB 3.94Å; V210-C243 PolarHBondContact N-O 2.87Å; C243-F277 HydrophobicContact CB-CD1 4.04Å; C243-F277 HydrophobicContact CB-CE1 3.49Å; C243-F277 VanDerWaalsContact CB-CE1 3.49Å; C243-F277 HydrophobicContact CB-CZ 4.12Å; C243-F277 VanDerWaalsContact SG-CE1 3.58Å
244Y94.1Very high87.2Confident84 Ų8454.2 Ų54.233%0.32929%0.287SS..EExtended strand (participates in β ladder)trans-128.1135.9173161.8-104.9000109.6V210 E212 T228 R232V210-Y244 WeakPolarHBondContact O-CA 3.4Å; E212-Y244 HydrophobicContact CB-CE2 3.87Å; E212-Y244 WeakPolarHBondContact OE2-CE2 3.4Å; E212-Y244 PolarHBondContact OE2-OH 3.21Å; T228-Y244 HydrophobicContact CG2-CD2 4.04Å; T228-Y244 HydrophobicContact CG2-CE2 3.75Å; R232-Y244 VanDerWaalsContact NH1-CE1 3.31Å
245R95.4Very high86.3Confident145 Ų14559.6 Ų59.655%0.54731%0.312SS..EExtended strand (participates in β ladder)trans-142138.5170.2-164.866.3178.5175.30.9110.2L209 V210 L211 E212 V273 F277L209-R245 HydrophobicContact CD1-CB 4.25Å; V210-R245 PolarHBondContact O-N 2.67Å; L211-R245 WeakPolarHBondContact CA-O 3.27Å; L211-R245 HydrophobicContact CD1-CB 3.96Å; L211-R245 HydrophobicContact CD1-CG 4.5Å; E212-R245 PolarHBondContact N-O 3.26Å; R245-V273 HydrophobicContact CB-CG1 4.38Å; R245-V273 HydrophobicContact CG-CG1 4.14Å; R245-F277 HydrophobicContact CB-CE2 4.47Å
246R95.2Very high85.4Confident66 Ų6664.1 Ų64.125%0.24934%0.337CS..EExtended strand (participates in β ladder)trans-100.5134.9168.8-172.3178.1-169.4149.820.3109.4E212 K221 E225E212-R246 HydrophobicContact CB-CB 4.35Å; E212-R246 HydrophobicContact CB-CG 4.31Å; E212-R246 HydrophobicContact CG-CG 4.33Å; E212-R246 CarbonylContact O-C 3.56Å; E212-R246 WeakPolarHBondContact O-CA 3.34Å; E212-R246 WeakPolarHBondContact OE1-CD 3.13Å; E212-R246 IonicContact OE1-CZ 3.01Å; E212-R246 IonicContact OE1-NE 3Å; E212-R246 PolarHBondContact OE1-NE 3.26Å; E212-R246 IonicContact OE1-NH1 3.65Å; E212-R246 IonicContact OE1-NH2 3.52Å; E212-R246 PolarHBondContact OE1-NH2 2.66Å; E212-R246 VanDerWaalsContact OE1-NH2 3.12Å; K221-R246 VanDerWaalsContact CG-NH2 3.31Å; E225-R246 IonicContact OE2-CZ 3.69Å; E225-R246 IonicContact OE2-NH1 2.95Å; E225-R246 PolarHBondContact OE2-NH1 3.19Å; E225-R246 IonicContact OE2-NH2 3.98Å
247I93.5Very high84.4Confident12 Ų1262 Ų626%0.06232%0.323CS..EExtended strand (participates in β ladder)trans-119.1127.3172-61.3-176000107.6L211 E212 V214 L249 V270 V273L211-I247 HydrophobicContact CD1-CD1 3.72Å; L211-I247 HydrophobicContact CD1-CG1 3.89Å; L211-I247 HydrophobicContact CD2-CD1 3.98Å; L211-I247 HydrophobicContact CG-CD1 4.25Å; E212-I247 PolarHBondContact O-N 3.09Å; V214-I247 PolarHBondContact N-O 3.14Å; I247-L249 HydrophobicContact CG2-CD2 3.69Å; I247-V270 HydrophobicContact CD1-CB 4.44Å; I247-V270 HydrophobicContact CD1-CG2 3.99Å; I247-V273 HydrophobicContact CD1-CB 4Å; I247-V273 HydrophobicContact CD1-CG1 4.41Å; I247-V273 HydrophobicContact CD1-CG2 3.77Å; I247-V273 HydrophobicContact CG1-CG2 4.31Å
248I92.6Very high83Confident97 Ų9760.9 Ų60.950%0.49733%0.325SS..EExtended strand (participates in β ladder)trans-95.7117.2169.9-61.2179.9000107.3V214 E216V214-I248 CarbonylContact O-C 3.51Å; V214-I248 WeakPolarHBondContact O-CA 3.41Å; E216-I248 HydrophobicContact CB-CG2 4.4Å; E216-I248 HydrophobicContact CG-CG2 3.48Å; E216-I248 VanDerWaalsContact CG-CG2 3.48Å
249L90.7Very high81.6Confident1 Ų166.1 Ų66.11%0.00535%0.347CS..EExtended strand (participates in β ladder)trans-86.8125178.9-60.9-176000110I213 V214 E216 I247 E253 A254 F264 V267 S269I213-L249 HydrophobicContact CG2-CD1 3.34Å; I213-L249 HydrophobicContact CG2-CD2 4.3Å; I213-L249 HydrophobicContact CG2-CG 3.64Å; V214-L249 PolarHBondContact O-N 2.94Å; E216-L249 PolarHBondContact N-O 3.06Å; I247-L249 HydrophobicContact CG2-CD2 3.69Å; L249-E253 HydrophobicContact CB-CB 4.25Å; L249-E253 HydrophobicContact CD2-CB 4.12Å; L249-A254 HydrophobicContact CB-CB 4.44Å; L249-F264 HydrophobicContact CD1-CE1 4.23Å; L249-V267 HydrophobicContact CD2-CG1 3.56Å; L249-S269 WeakPolarHBondContact CD2-OG 3.2Å
250N89Confident80.6Confident65 Ų6567.6 Ų67.635%0.34836%0.364SS..PPolyproline II helixtrans-68.7167.3167.967.542.7000110.7A252 E253 A254N250-A252 VanDerWaalsContact C-N 3.26Å; N250-A252 PolarHBondContact O-N 3.32Å; N250-A252 PolarHBondContact OD1-N 3.15Å; N250-A252 VanDerWaalsContact OD1-N 3.13Å; N250-E253 PolarHBondContact O-N 3.17Å; N250-E253 WeakPolarHBondContact OD1-CB 3.49Å; N250-E253 WeakPolarHBondContact OD1-CG 3.39Å; N250-E253 PolarHBondContact OD1-N 3.5Å; N250-A254 WeakPolarHBondContact O-CB 3.4Å; N250-A254 PolarHBondContact O-N 2.83Å
251S81.8Confident79.7Confident76 Ų7669.7 Ų69.753%0.53139%0.385SS..Hα-helixtrans-58.3-35.3-176-42.80000113.5L255S251-L255 WeakPolarHBondContact O-CD1 3.31Å; S251-L255 VanDerWaalsContact O-CG 3.3Å; S251-L255 WeakPolarHBondContact O-CG 3.05Å; S251-L255 PolarHBondContact O-N 3.07Å
252A82.6Confident79Confident67 Ų6767.3 Ų67.355%0.55438%0.375SS*.Hα-helixtrans-71-39.9179.400000112.2N250 L255 N256N250-A252 VanDerWaalsContact C-N 3.26Å; N250-A252 PolarHBondContact O-N 3.32Å; N250-A252 PolarHBondContact OD1-N 3.15Å; N250-A252 VanDerWaalsContact OD1-N 3.13Å; A252-L255 PolarHBondContact O-N 2.75Å; A252-N256 PolarHBondContact O-N 3.06Å
253E82.7Confident78.3Confident29 Ų2968.2 Ų68.214%0.13638%0.38CS..Hα-helixtrans-70.3-36.7175.5-72.5-167.8138.600112.2L249 N250 L255 N256 V267 S269L249-E253 HydrophobicContact CB-CB 4.25Å; L249-E253 HydrophobicContact CD2-CB 4.12Å; N250-E253 PolarHBondContact O-N 3.17Å; N250-E253 WeakPolarHBondContact OD1-CB 3.49Å; N250-E253 WeakPolarHBondContact OD1-CG 3.39Å; N250-E253 PolarHBondContact OD1-N 3.5Å; E253-L255 PolarHBondContact O-N 2.69Å; E253-N256 PolarHBondContact O-N 3.49Å; E253-N256 VanDerWaalsContact O-N 3.17Å; E253-V267 HydrophobicContact CB-CG1 4.15Å; E253-V267 HydrophobicContact CG-CG1 4.39Å; E253-S269 VanDerWaalsContact OE1-CB 3.23Å; E253-S269 WeakPolarHBondContact OE1-CB 3.44Å; E253-S269 PolarHBondContact OE1-N 3.31Å; E253-S269 PolarHBondContact OE1-OG 3.43Å; E253-S269 PolarHBondContact OE2-OG 3Å
254A75.6Confident77.8Confident26 Ų2667.5 Ų67.522%0.21538%0.375CS..Hα-helixtrans-64-27.4177.500000112.9L249 N250 K257L249-A254 HydrophobicContact CB-CB 4.44Å; N250-A254 WeakPolarHBondContact O-CB 3.4Å; N250-A254 PolarHBondContact O-N 2.83Å; A254-K257 WeakPolarHBondContact O-CD 3.44Å; A254-K257 WeakPolarHBondContact O-CG 3.44Å
255L73Confident76.9Confident146 Ų14666.4 Ų66.476%0.76437%0.372SS*.Hα-helixtrans-83.2-18.7176.7-70.6166.8000113.4S251 A252 E253 K257S251-L255 WeakPolarHBondContact O-CD1 3.31Å; S251-L255 VanDerWaalsContact O-CG 3.3Å; S251-L255 WeakPolarHBondContact O-CG 3.05Å; S251-L255 PolarHBondContact O-N 3.07Å; A252-L255 PolarHBondContact O-N 2.75Å; E253-L255 PolarHBondContact O-N 2.69Å; L255-K257 PolarHBondContact O-N 3.33Å
256N70.8Confident76.1Confident96 Ų9662.2 Ų62.251%0.51336%0.36SS..  trans-78.834.9-179.9-94.6-24.5000113.5A252 E253A252-N256 PolarHBondContact O-N 3.06Å; E253-N256 PolarHBondContact O-N 3.49Å; E253-N256 VanDerWaalsContact O-N 3.17Å
257K64.1Low75.7Confident56 Ų5659 Ų5924%0.24335%0.348CS..  trans-96.391.6177.4-68.1177.4174.6-167.40109.8A254 L255 M263A254-K257 WeakPolarHBondContact O-CD 3.44Å; A254-K257 WeakPolarHBondContact O-CG 3.44Å; L255-K257 PolarHBondContact O-N 3.33Å; K257-M263 HydrophobicContact CB-CG 4.5Å; K257-M263 HydrophobicContact CB-SD 4.49Å; K257-M263 HydrophobicContact CD-CE 4.34Å; K257-M263 HydrophobicContact CD-SD 3.83Å; K257-M263 HydrophobicContact CG-SD 4.36Å
258S54.9Low75.4Confident95 Ų9561.3 Ų61.366%0.66437%0.369SS*.  trans167118.9149.253.80000113.6
259E53.1Low75.2Confident129 Ų12957.7 Ų57.760%0.60335%0.352SS*.SBendtrans-146.2166.4131.8-101.3-173.8174.700105.8G261 K265E259-G261 PolarHBondContact O-N 2.69Å; E259-K265 IonicContact OE2-NZ 3.23Å
260S57.3Low75.2Confident118 Ų11857.7 Ų57.783%0.82535%0.352SS*.SBendtrans-55.6131.3176.143.20000111.8
261G62.9Low75.2Confident44 Ų4459.3 Ų59.345%0.45435%0.353SS..SBendtrans127.6-77.6177.800000113.8E259E259-G261 PolarHBondContact O-N 2.69Å
262S68.9Low75.6Confident5 Ų560.7 Ų60.74%0.03535%0.351CS..  trans-136.8137.6178.7165.30000111.4F264 K265 E299S262-F264 PolarHBondContact O-N 2.99Å; S262-F264 PolarHBondContact OG-N 3.38Å; S262-F264 VanDerWaalsContact OG-N 3.11Å; S262-K265 PolarHBondContact O-N 2.97Å; S262-E299 WeakPolarHBondContact CB-OE2 3.38Å; S262-E299 PolarHBondContact OG-OE2 3.38Å
263M75.8Confident76Confident59 Ų5958.6 Ų58.629%0.29133%0.332SS..THydrogen-bonded Turntrans-59.7-26.1175.1-94.4-159.9168.300113K257 E299K257-M263 HydrophobicContact CB-CG 4.5Å; K257-M263 HydrophobicContact CB-SD 4.49Å; K257-M263 HydrophobicContact CD-CE 4.34Å; K257-M263 HydrophobicContact CD-SD 3.83Å; K257-M263 HydrophobicContact CG-SD 4.36Å; M263-E299 PolarHBondContact N-OE1 2.89Å; M263-E299 VanDerWaalsContact N-OE1 3.13Å
264F79.5Confident76.3Confident1 Ų157.6 Ų57.60%0.00433%0.327CS..THydrogen-bonded Turntrans-108.12.2-169.5-55.8-70.8000114.2I213 L249 S262 N266 V267 V270 I287 S289I213-F264 HydrophobicContact CB-CE1 4.42Å; I213-F264 HydrophobicContact CD1-CB 4.11Å; I213-F264 HydrophobicContact CD1-CD1 3.45Å; I213-F264 VanDerWaalsContact CD1-CD1 3.45Å; I213-F264 HydrophobicContact CD1-CD2 3.72Å; I213-F264 HydrophobicContact CD1-CE1 3.74Å; I213-F264 HydrophobicContact CD1-CE2 3.97Å; I213-F264 HydrophobicContact CD1-CG 3.45Å; I213-F264 VanDerWaalsContact CD1-CG 3.45Å; I213-F264 HydrophobicContact CD1-CZ 3.99Å; I213-F264 HydrophobicContact CG2-CD1 4.24Å; I213-F264 HydrophobicContact CG2-CE1 3.73Å; I213-F264 HydrophobicContact CG2-CZ 4.24Å; L249-F264 HydrophobicContact CD1-CE1 4.23Å; S262-F264 PolarHBondContact O-N 2.99Å; S262-F264 PolarHBondContact OG-N 3.38Å; S262-F264 VanDerWaalsContact OG-N 3.11Å; F264-N266 PolarHBondContact O-N 2.77Å; F264-V267 HydrophobicContact CD1-CG2 4.19Å; F264-V267 PolarHBondContact O-N 2.96Å; F264-V270 HydrophobicContact CB-CB 4.43Å; F264-V270 HydrophobicContact CB-CG1 4.02Å; F264-V270 HydrophobicContact CB-CG2 4.22Å; F264-I287 HydrophobicContact CB-CD1 4.44Å; F264-I287 HydrophobicContact CD2-CD1 4.22Å; F264-I287 HydrophobicContact CD2-CG2 3.78Å; F264-I287 HydrophobicContact CE2-CG2 3.87Å; F264-S289 VanDerWaalsContact CZ-CB 3.42Å
265K76.6Confident76.9Confident61 Ų6160.9 Ų60.927%0.26534%0.337SS..THydrogen-bonded Turntrans-54.6-35.9178.1-178-173.1171.5-163.20113.1E259 S262 R271 L305E259-K265 IonicContact OE2-NZ 3.23Å; S262-K265 PolarHBondContact O-N 2.97Å; K265-R271 PolarHBondContact O-NH2 3.32Å; K265-L305 HydrophobicContact CB-CB 4.41Å; K265-L305 HydrophobicContact CG-CB 4.37Å
266N78.5Confident77.7Confident57 Ų5758.9 Ų58.931%0.30532%0.323SS..THydrogen-bonded Turntrans-97.2-1.9-174.9-67.1-21.9000114.1F264 A268F264-N266 PolarHBondContact O-N 2.77Å; N266-A268 PolarHBondContact O-N 2.8Å
267V86.3Confident78.6Confident0 Ų056.1 Ų56.10%031%0.306CS..  trans-80.7117.7179.5178.80000109.6L249 E253 F264 S269 V270 R271L249-V267 HydrophobicContact CD2-CG1 3.56Å; E253-V267 HydrophobicContact CB-CG1 4.15Å; E253-V267 HydrophobicContact CG-CG1 4.39Å; F264-V267 HydrophobicContact CD1-CG2 4.19Å; F264-V267 PolarHBondContact O-N 2.96Å; V267-S269 WeakPolarHBondContact CG1-OG 3.44Å; V267-S269 PolarHBondContact O-N 3.33Å; V267-V270 HydrophobicContact CB-CB 4.05Å; V267-V270 HydrophobicContact CB-CG2 3.88Å; V267-V270 HydrophobicContact CG1-CB 4.14Å; V267-V270 HydrophobicContact CG1-CG2 3.65Å; V267-V270 PolarHBondContact O-N 2.87Å; V267-R271 PolarHBondContact O-N 3.22Å
268A86.5Confident79.7Confident59 Ų5955.7 Ų55.749%0.48831%0.305SS..Hα-helixtrans-60.4-47.3-173.100000112.2N266 V270 R271 E272N266-A268 PolarHBondContact O-N 2.8Å; A268-V270 VanDerWaalsContact C-N 3.33Å; A268-V270 PolarHBondContact O-N 3.19Å; A268-R271 PolarHBondContact O-N 3.48Å; A268-E272 WeakPolarHBondContact O-CB 3.42Å; A268-E272 PolarHBondContact O-N 3Å
269S89.2Confident81.1Confident22 Ų2254.1 Ų54.115%0.15429%0.288CS..Hα-helixtrans-59.4-40.3177.156.80000113.1L249 E253 V267 V273L249-S269 WeakPolarHBondContact CD2-OG 3.2Å; E253-S269 VanDerWaalsContact OE1-CB 3.23Å; E253-S269 WeakPolarHBondContact OE1-CB 3.44Å; E253-S269 PolarHBondContact OE1-N 3.31Å; E253-S269 PolarHBondContact OE1-OG 3.43Å; E253-S269 PolarHBondContact OE2-OG 3Å; V267-S269 WeakPolarHBondContact CG1-OG 3.44Å; V267-S269 PolarHBondContact O-N 3.33Å; S269-V273 VanDerWaalsContact O-CG2 3.32Å; S269-V273 WeakPolarHBondContact O-CG2 3.48Å; S269-V273 PolarHBondContact O-N 3.39Å; S269-V273 VanDerWaalsContact O-N 3.12Å
270V90.7Very high82.7Confident0 Ų052.6 Ų52.60%028%0.284CS..Hα-helixtrans-66.2-45176.7175.20000110.9L211 I213 I247 F264 V267 A268 V273 W274 L305L211-V270 HydrophobicContact CD2-CB 4.41Å; L211-V270 HydrophobicContact CD2-CG1 3.71Å; L211-V270 HydrophobicContact CD2-CG2 4.22Å; I213-V270 HydrophobicContact CD1-CG2 3.7Å; I213-V270 HydrophobicContact CG1-CG2 4.45Å; I247-V270 HydrophobicContact CD1-CB 4.44Å; I247-V270 HydrophobicContact CD1-CG2 3.99Å; F264-V270 HydrophobicContact CB-CB 4.43Å; F264-V270 HydrophobicContact CB-CG1 4.02Å; F264-V270 HydrophobicContact CB-CG2 4.22Å; V267-V270 HydrophobicContact CB-CB 4.05Å; V267-V270 HydrophobicContact CB-CG2 3.88Å; V267-V270 HydrophobicContact CG1-CB 4.14Å; V267-V270 HydrophobicContact CG1-CG2 3.65Å; V267-V270 PolarHBondContact O-N 2.87Å; A268-V270 VanDerWaalsContact C-N 3.33Å; A268-V270 PolarHBondContact O-N 3.19Å; V270-V273 PolarHBondContact O-N 3.04Å; V270-W274 WeakPolarHBondContact O-CB 3.23Å; V270-W274 PolarHBondContact O-N 3.11Å; V270-L305 HydrophobicContact CG1-CD1 4.12Å
271R88.2Confident84.1Confident99 Ų9947.2 Ų47.237%0.37425%0.246SC..Hα-helixtrans-62.2-47.4178.7-171.2-175.5-54.9151.34111.6K265 V267 A268 V273 W274 E275 L305K265-R271 PolarHBondContact O-NH2 3.32Å; V267-R271 PolarHBondContact O-N 3.22Å; A268-R271 PolarHBondContact O-N 3.48Å; R271-V273 VanDerWaalsContact C-N 3.33Å; R271-V273 PolarHBondContact O-N 3.48Å; R271-W274 PolarHBondContact O-N 2.82Å; R271-E275 HydrophobicContact CG-CG 4.35Å; R271-E275 WeakPolarHBondContact CG-OE1 3.32Å; R271-E275 WeakPolarHBondContact O-CB 3.41Å; R271-E275 WeakPolarHBondContact O-CG 3.32Å; R271-E275 PolarHBondContact O-N 2.84Å; R271-L305 HydrophobicContact CB-CD1 4.48Å
272E89.8Confident85.3Confident105 Ų10545.4 Ų45.449%0.49123%0.226SC..Hα-helixtrans-60.1-44.4179.7-170.4-164.6151.900111.4A268 K276A268-E272 WeakPolarHBondContact O-CB 3.42Å; A268-E272 PolarHBondContact O-N 3Å; E272-K276 WeakPolarHBondContact O-CG 3.28Å; E272-K276 PolarHBondContact O-N 2.83Å; E272-K276 VanDerWaalsContact O-N 3.16Å; E272-K276 WeakPolarHBondContact OE1-CE 3.44Å; E272-K276 IonicContact OE1-NZ 3.12Å; E272-K276 PolarHBondContact OE1-NZ 3.1Å
273V92.1Very high86.3Confident23 Ų2346.3 Ų46.314%0.13923%0.231CC..Hα-helixtrans-64-47.2176.4170.20000110.5L209 L211 R245 I247 S269 V270 R271 E275 K276 F277L209-V273 HydrophobicContact CD2-CG1 4.19Å; L211-V273 HydrophobicContact CD1-CG1 3.99Å; R245-V273 HydrophobicContact CB-CG1 4.38Å; R245-V273 HydrophobicContact CG-CG1 4.14Å; I247-V273 HydrophobicContact CD1-CB 4Å; I247-V273 HydrophobicContact CD1-CG1 4.41Å; I247-V273 HydrophobicContact CD1-CG2 3.77Å; I247-V273 HydrophobicContact CG1-CG2 4.31Å; S269-V273 VanDerWaalsContact O-CG2 3.32Å; S269-V273 WeakPolarHBondContact O-CG2 3.48Å; S269-V273 PolarHBondContact O-N 3.39Å; S269-V273 VanDerWaalsContact O-N 3.12Å; V270-V273 PolarHBondContact O-N 3.04Å; R271-V273 VanDerWaalsContact C-N 3.33Å; R271-V273 PolarHBondContact O-N 3.48Å; V273-E275 PolarHBondContact O-N 3.04Å; V273-K276 PolarHBondContact O-N 3.18Å; V273-F277 HydrophobicContact CG1-CD2 3.84Å; V273-F277 HydrophobicContact CG1-CE2 3.89Å; V273-F277 VanDerWaalsContact O-CD2 3.3Å; V273-F277 WeakPolarHBondContact O-CD2 3.42Å; V273-F277 PolarHBondContact O-N 2.56Å; V273-F277 VanDerWaalsContact O-N 3.13Å
274W89.6Confident87.1Confident9 Ų944.2 Ų44.23%0.03422%0.22CC..Hα-helixtrans-60.6-46.9179.6172.9-121.5000112.1L209 V270 R271 K276 F277 Q278 V282 I285 L305L209-W274 HydrophobicContact CD2-CE3 4.17Å; V270-W274 WeakPolarHBondContact O-CB 3.23Å; V270-W274 PolarHBondContact O-N 3.11Å; R271-W274 PolarHBondContact O-N 2.82Å; W274-K276 VanDerWaalsContact C-N 3.28Å; W274-K276 PolarHBondContact O-N 3.21Å; W274-F277 PolarHBondContact O-N 3.22Å; W274-F277 VanDerWaalsContact O-N 3.14Å; W274-Q278 HydrophobicContact CD2-CB 4.48Å; W274-Q278 HydrophobicContact CH2-CB 4.47Å; W274-Q278 HydrophobicContact CZ2-CB 4.17Å; W274-Q278 HydrophobicContact CZ2-CG 4.11Å; W274-Q278 WeakPolarHBondContact O-CB 3.27Å; W274-Q278 PolarHBondContact O-N 2.73Å; W274-V282 HydrophobicContact CZ3-CB 4.42Å; W274-V282 HydrophobicContact CZ3-CG1 4.17Å; W274-I285 HydrophobicContact CE3-CB 4Å; W274-I285 HydrophobicContact CE3-CD1 4.27Å; W274-I285 HydrophobicContact CZ3-CB 4.02Å; W274-L305 HydrophobicContact CB-CD1 4.12Å; W274-L305 HydrophobicContact CG-CD1 4.27Å; W274-L305 HydrophobicContact CG-CD2 4.49Å; W274-L305 HydrophobicContact CG-CG 4.18Å
275E87.7Confident87.7Confident94 Ų9444.2 Ų44.244%0.43922%0.219SC..Hα-helixtrans-59.1-40178.9-74.4173.7179.300111.8R271 V273 Q278 M279R271-E275 HydrophobicContact CG-CG 4.35Å; R271-E275 WeakPolarHBondContact CG-OE1 3.32Å; R271-E275 WeakPolarHBondContact O-CB 3.41Å; R271-E275 WeakPolarHBondContact O-CG 3.32Å; R271-E275 PolarHBondContact O-N 2.84Å; V273-E275 PolarHBondContact O-N 3.04Å; E275-Q278 PolarHBondContact O-N 2.91Å; E275-M279 WeakPolarHBondContact O-CG 3.25Å; E275-M279 PolarHBondContact O-N 3.44Å
276K89.4Confident88.6Confident104 Ų10441.3 Ų41.345%0.45221%0.207SC..Hα-helixtrans-60.3-47.1173.8-75.8171175.1170.50112.6E272 V273 W274 M279 L280E272-K276 WeakPolarHBondContact O-CG 3.28Å; E272-K276 PolarHBondContact O-N 2.83Å; E272-K276 VanDerWaalsContact O-N 3.16Å; E272-K276 WeakPolarHBondContact OE1-CE 3.44Å; E272-K276 IonicContact OE1-NZ 3.12Å; E272-K276 PolarHBondContact OE1-NZ 3.1Å; V273-K276 PolarHBondContact O-N 3.18Å; W274-K276 VanDerWaalsContact C-N 3.28Å; W274-K276 PolarHBondContact O-N 3.21Å; K276-M279 HydrophobicContact CB-CE 4.48Å; K276-M279 HydrophobicContact CG-CE 4.16Å; K276-M279 PolarHBondContact O-N 2.94Å; K276-L280 WeakPolarHBondContact O-CG 3.22Å; K276-L280 PolarHBondContact O-N 3.22Å
277F90Very high89.3Confident38 Ų3838.6 Ų38.617%0.16719%0.193CC..Hα-helixtrans-72.9-32.1179.1-80.8-77.7000112.8L209 C243 R245 V273 W274 M279 L280 G281 V282L209-F277 HydrophobicContact CD1-CD1 4.34Å; L209-F277 HydrophobicContact CD1-CD2 3.88Å; L209-F277 HydrophobicContact CD1-CE1 4.29Å; L209-F277 HydrophobicContact CD1-CE2 3.83Å; L209-F277 HydrophobicContact CD1-CG 4.14Å; L209-F277 HydrophobicContact CD1-CZ 4.04Å; L209-F277 HydrophobicContact CD2-CB 4.06Å; L209-F277 HydrophobicContact CD2-CD2 3.64Å; L209-F277 HydrophobicContact CD2-CE2 4.33Å; L209-F277 HydrophobicContact CD2-CG 3.95Å; L209-F277 HydrophobicContact CG-CD2 4.35Å; L209-F277 HydrophobicContact CG-CG 4.48Å; C243-F277 HydrophobicContact CB-CD1 4.04Å; C243-F277 HydrophobicContact CB-CE1 3.49Å; C243-F277 VanDerWaalsContact CB-CE1 3.49Å; C243-F277 HydrophobicContact CB-CZ 4.12Å; C243-F277 VanDerWaalsContact SG-CE1 3.58Å; R245-F277 HydrophobicContact CB-CE2 4.47Å; V273-F277 HydrophobicContact CG1-CD2 3.84Å; V273-F277 HydrophobicContact CG1-CE2 3.89Å; V273-F277 VanDerWaalsContact O-CD2 3.3Å; V273-F277 WeakPolarHBondContact O-CD2 3.42Å; V273-F277 PolarHBondContact O-N 2.56Å; V273-F277 VanDerWaalsContact O-N 3.13Å; W274-F277 PolarHBondContact O-N 3.22Å; W274-F277 VanDerWaalsContact O-N 3.14Å; F277-M279 VanDerWaalsContact C-N 3.34Å; F277-L280 HydrophobicContact CD1-CD1 4.34Å; F277-L280 CarbonylContact O-C 3.53Å; F277-L280 WeakPolarHBondContact O-CB 3.48Å; F277-L280 PolarHBondContact O-N 2.88Å; F277-L280 VanDerWaalsContact O-N 3.14Å; F277-G281 PolarHBondContact O-N 2.66Å; F277-V282 HydrophobicContact CB-CB 4.17Å; F277-V282 HydrophobicContact CB-CG2 3.89Å; F277-V282 HydrophobicContact CD1-CG2 3.87Å; F277-V282 HydrophobicContact CG-CG2 4.36Å; F277-V282 WeakPolarHBondContact O-CB 3.19Å; F277-V282 WeakPolarHBondContact O-CG2 3.43Å; F277-V282 PolarHBondContact O-N 2.89Å; F277-V282 VanDerWaalsContact O-N 3.09Å
278Q87.1Confident89.7Confident48 Ų4838.8 Ų38.822%0.22419%0.193CC..Hα-helixtrans-65.1-39.2173.4-166.2-173.152.600111.1W274 E275 L280 G281 H303W274-Q278 HydrophobicContact CD2-CB 4.48Å; W274-Q278 HydrophobicContact CH2-CB 4.47Å; W274-Q278 HydrophobicContact CZ2-CB 4.17Å; W274-Q278 HydrophobicContact CZ2-CG 4.11Å; W274-Q278 WeakPolarHBondContact O-CB 3.27Å; W274-Q278 PolarHBondContact O-N 2.73Å; E275-Q278 PolarHBondContact O-N 2.91Å; Q278-L280 PolarHBondContact O-N 3.09Å; Q278-G281 PolarHBondContact O-N 3.43Å; Q278-H303 PolarHBondContact NE2-O 2.9Å
279M84.9Confident90Very high61 Ų6136.1 Ų36.130%0.317%0.172SC..Hα-helixtrans-58.1-35172.4-75.2-171.3-65.500112.1V194 K196 F197 E275 K276 F277 G281V194-M279 HydrophobicContact CB-SD 4.06Å; V194-M279 HydrophobicContact CG1-SD 3.71Å; K196-M279 HydrophobicContact CG-CG 4.19Å; F197-M279 VanDerWaalsContact CD2-O 3.28Å; F197-M279 WeakPolarHBondContact CD2-O 3.16Å; F197-M279 PolarHBondContact N-O 3.13Å; E275-M279 WeakPolarHBondContact O-CG 3.25Å; E275-M279 PolarHBondContact O-N 3.44Å; K276-M279 HydrophobicContact CB-CE 4.48Å; K276-M279 HydrophobicContact CG-CE 4.16Å; K276-M279 PolarHBondContact O-N 2.94Å; F277-M279 VanDerWaalsContact C-N 3.34Å; M279-G281 PolarHBondContact O-N 3.43Å
280L85.6Confident90Very high98 Ų9835.6 Ų35.651%0.51317%0.168SC..THydrogen-bonded Turntrans-77.20.1175.4-60.2175.4000113.9K276 F277 Q278K276-L280 WeakPolarHBondContact O-CG 3.22Å; K276-L280 PolarHBondContact O-N 3.22Å; F277-L280 HydrophobicContact CD1-CD1 4.34Å; F277-L280 CarbonylContact O-C 3.53Å; F277-L280 WeakPolarHBondContact O-CB 3.48Å; F277-L280 PolarHBondContact O-N 2.88Å; F277-L280 VanDerWaalsContact O-N 3.14Å; Q278-L280 PolarHBondContact O-N 3.09Å
281G86.8Confident89.8Confident4 Ų438.8 Ų38.84%0.04118%0.183CC..THydrogen-bonded Turntrans7923.817900000114.7F197 F277 Q278 M279F197-G281 WeakPolarHBondContact O-CA 3Å; F277-G281 PolarHBondContact O-N 2.66Å; Q278-G281 PolarHBondContact O-N 3.43Å; M279-G281 PolarHBondContact O-N 3.43Å
282V88.9Confident90Very high6 Ų634.3 Ų34.34%0.03617%0.166CC..  trans-65.2132.8168.1179.60000109.6Y206 L209 W274 F277 R284Y206-V282 WeakPolarHBondContact O-CA 3.48Å; L209-V282 HydrophobicContact CB-CG1 3.99Å; W274-V282 HydrophobicContact CZ3-CB 4.42Å; W274-V282 HydrophobicContact CZ3-CG1 4.17Å; F277-V282 HydrophobicContact CB-CB 4.17Å; F277-V282 HydrophobicContact CB-CG2 3.89Å; F277-V282 HydrophobicContact CD1-CG2 3.87Å; F277-V282 HydrophobicContact CG-CG2 4.36Å; F277-V282 WeakPolarHBondContact O-CB 3.19Å; F277-V282 WeakPolarHBondContact O-CG2 3.43Å; F277-V282 PolarHBondContact O-N 2.89Å; F277-V282 VanDerWaalsContact O-N 3.09Å; V282-R284 WeakPolarHBondContact CG1-O 3.44Å
283L89.5Confident90Very high24 Ų2431.7 Ų31.713%0.12616%0.157CC..  trans-85.3-45.9-169.2-51.3174000112.6P201 A204 K207 L324P201-L283 HydrophobicContact CB-CD1 3.86Å; P201-L283 HydrophobicContact CG-CD1 4.02Å; A204-L283 HydrophobicContact CB-CD1 3.8Å; A204-L283 HydrophobicContact CB-CD2 4.22Å; A204-L283 HydrophobicContact CB-CG 4.04Å; K207-L283 HydrophobicContact CB-CD1 4.4Å; K207-L283 HydrophobicContact CG-CD1 4.23Å; K207-L283 WeakPolarHBondContact O-CB 3.49Å; K207-L283 PolarHBondContact O-N 3.32Å; L283-L324 HydrophobicContact CB-CD2 4.34Å; L283-L324 HydrophobicContact CD1-CD2 4Å
284R92.3Very high89.8Confident16 Ų1637.6 Ų37.66%0.0618%0.183CC..EExtended strand (participates in β ladder)trans-131.4157.4-175.4-55.6-69.7170.1-101.910.6111.3K207 L208 L209 V282 L302 H303 L320 E323 L324K207-R284 PolarHBondContact O-N 2.62Å; L208-R284 CarbonylContact C-O 3.53Å; L208-R284 WeakPolarHBondContact CA-O 3.43Å; L208-R284 HydrophobicContact CD2-CB 3.73Å; L208-R284 HydrophobicContact CD2-CG 4.27Å; L209-R284 PolarHBondContact N-O 2.94Å; V282-R284 WeakPolarHBondContact CG1-O 3.44Å; R284-L302 WeakPolarHBondContact CD-O 3.25Å; R284-L302 VanDerWaalsContact CZ-O 3.31Å; R284-L302 PolarHBondContact NH1-O 2.84Å; R284-H303 PolarHBondContact NH1-CE1 2.9Å; R284-H303 PolarHBondContact NH1-ND1 2.76Å; R284-H303 PolarHBondContact NH2-CE1 2.64Å; R284-H303 PolarHBondContact NH2-NE2 2.91Å; R284-L320 HydrophobicContact CG-CD2 4.22Å; R284-E323 IonicContact CZ-OE1 3.22Å; R284-E323 IonicContact NE-OE1 2.71Å; R284-E323 PolarHBondContact NE-OE1 2.93Å; R284-E323 IonicContact NE-OE2 3.68Å; R284-E323 IonicContact NH2-OE1 2.6Å; R284-E323 PolarHBondContact NH2-OE1 2.86Å; R284-L324 HydrophobicContact CG-CD1 3.85Å; R284-L324 HydrophobicContact CG-CD2 4.22Å; R284-L324 HydrophobicContact CG-CG 4.49Å
285I92.6Very high89.8Confident0 Ų039.7 Ų39.70%020%0.199CC..EExtended strand (participates in β ladder)trans-116.4142.7168.1-169.6176.3000109.5L209 L211 W274 I287 I300 A301 L305L209-I285 HydrophobicContact CB-CG1 4.24Å; L209-I285 HydrophobicContact CD2-CD1 3.94Å; L209-I285 HydrophobicContact CD2-CG1 4.08Å; L209-I285 HydrophobicContact CG-CG1 4.15Å; L209-I285 CarbonylContact O-C 3.55Å; L209-I285 VanDerWaalsContact O-CA 3.32Å; L209-I285 WeakPolarHBondContact O-CA 3.37Å; L209-I285 WeakPolarHBondContact O-CG1 3.43Å; L211-I285 HydrophobicContact CB-CD1 4Å; L211-I285 HydrophobicContact CB-CG1 4.13Å; L211-I285 HydrophobicContact CD2-CD1 3.81Å; L211-I285 HydrophobicContact CG-CD1 4.48Å; W274-I285 HydrophobicContact CE3-CB 4Å; W274-I285 HydrophobicContact CE3-CD1 4.27Å; W274-I285 HydrophobicContact CZ3-CB 4.02Å; I285-I287 HydrophobicContact CD1-CD1 4.2Å; I285-I287 HydrophobicContact CD1-CG1 3.94Å; I285-I287 HydrophobicContact CG1-CG1 3.94Å; I285-I287 HydrophobicContact CG2-CG1 4.5Å; I285-I300 CarbonylContact O-C 3.49Å; I285-I300 VanDerWaalsContact O-CA 3.31Å; I285-I300 WeakPolarHBondContact O-CA 3.34Å; I285-A301 HydrophobicContact CG2-CB 3.1Å; I285-A301 PolarHBondContact N-O 3.25Å; I285-A301 PolarHBondContact O-N 2.96Å; I285-L305 HydrophobicContact CD1-CD2 4.4Å; I285-L305 HydrophobicContact CG2-CD2 4.24Å
286V94.3Very high90Very high0 Ų036.6 Ų36.60%019%0.193CC..EExtended strand (participates in β ladder)trans-125.1115.5175.1-176.10000107.1L209 V210 L211 L231 F235 V298 E299 V316 L320L209-V286 PolarHBondContact O-N 3.24Å; V210-V286 CarbonylContact C-O 3.5Å; V210-V286 WeakPolarHBondContact CA-O 3.2Å; L211-V286 PolarHBondContact N-O 3.05Å; L231-V286 HydrophobicContact CD2-CG1 3.64Å; F235-V286 HydrophobicContact CE2-CG1 4.41Å; F235-V286 HydrophobicContact CE2-CG2 4.35Å; F235-V286 HydrophobicContact CZ-CG1 4.32Å; F235-V286 HydrophobicContact CZ-CG2 4.24Å; V286-V298 HydrophobicContact CG1-CG1 3.38Å; V286-E299 CarbonylContact C-O 3.59Å; V286-E299 WeakPolarHBondContact CA-O 3.46Å; V286-V316 HydrophobicContact CG1-CG1 4.19Å; V286-L320 HydrophobicContact CG2-CD1 4.03Å
287I94.1Very high90.1Very high1 Ų134.5 Ų34.51%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-106.1123.2-170.9-55.2175.3000109.6L211 I213 F264 I285 V298 E299 L305L211-I287 HydrophobicContact CB-CG1 4.34Å; L211-I287 WeakPolarHBondContact O-CA 3.33Å; I213-I287 HydrophobicContact CD1-CG2 3.4Å; I213-I287 HydrophobicContact CG1-CG2 3.93Å; F264-I287 HydrophobicContact CB-CD1 4.44Å; F264-I287 HydrophobicContact CD2-CD1 4.22Å; F264-I287 HydrophobicContact CD2-CG2 3.78Å; F264-I287 HydrophobicContact CE2-CG2 3.87Å; I285-I287 HydrophobicContact CD1-CD1 4.2Å; I285-I287 HydrophobicContact CD1-CG1 3.94Å; I285-I287 HydrophobicContact CG1-CG1 3.94Å; I285-I287 HydrophobicContact CG2-CG1 4.5Å; I287-V298 VanDerWaalsContact O-CG1 3.24Å; I287-V298 WeakPolarHBondContact O-CG1 3.38Å; I287-E299 HydrophobicContact CB-CB 4.09Å; I287-E299 HydrophobicContact CD1-CB 4.44Å; I287-E299 PolarHBondContact N-O 3.47Å; I287-L305 HydrophobicContact CD1-CD2 4.35Å
288V94.2Very high90.2Very high3 Ų332.7 Ų32.72%0.01818%0.178CC..EExtended strand (participates in β ladder)trans-109.8124.2172.6-171.70000107.9L211 I213 I224 L227 T228 L231 T292L211-V288 PolarHBondContact O-N 2.98Å; I213-V288 PolarHBondContact N-O 3.37Å; I224-V288 HydrophobicContact CG2-CG1 4.22Å; L227-V288 HydrophobicContact CB-CG1 4.29Å; T228-V288 WeakPolarHBondContact OG1-CB 3.47Å; T228-V288 WeakPolarHBondContact OG1-CG1 3.22Å; L231-V288 HydrophobicContact CD2-CG2 3.96Å; V288-T292 HydrophobicContact CG1-CG2 4.1Å
289S92Very high90.4Very high4 Ų431 Ų313%0.02817%0.17CC..  trans-142.8178-174.479.70000111.3F264 E291 T292 V293F264-S289 VanDerWaalsContact CZ-CB 3.42Å; S289-E291 PolarHBondContact O-N 3.07Å; S289-E291 PolarHBondContact OG-N 2.86Å; S289-T292 PolarHBondContact N-OG1 2.87Å; S289-T292 VanDerWaalsContact O-CB 3.25Å; S289-T292 WeakPolarHBondContact O-CB 3.23Å; S289-T292 PolarHBondContact O-N 2.92Å; S289-V293 PolarHBondContact O-N 3.22Å
290P89.5Confident90.7Very high11 Ų1128.1 Ų28.17%0.07116%0.156CC..Hα-helixtrans-52.5-40.1173.3-26.234.5000112.7P215 I224 T292 V293 E294P215-P290 HydrophobicContact CG-CG 3.83Å; I224-P290 HydrophobicContact CD1-CB 4.33Å; I224-P290 HydrophobicContact CD1-CG 3.77Å; P290-T292 PolarHBondContact O-N 3.02Å; P290-V293 WeakPolarHBondContact O-CA 3.5Å; P290-V293 WeakPolarHBondContact O-CB 3.35Å; P290-V293 PolarHBondContact O-N 2.84Å; P290-E294 PolarHBondContact O-N 2.81Å
291E87.9Confident90.7Very high67 Ų6723.5 Ų23.531%0.31313%0.132SC..Hα-helixtrans-59.6-33.1177.8-164.969.3-158.100111.9S289 V293 E294 S295S289-E291 PolarHBondContact O-N 3.07Å; S289-E291 PolarHBondContact OG-N 2.86Å; E291-V293 VanDerWaalsContact C-N 3.32Å; E291-E294 PolarHBondContact O-N 3.4Å; E291-S295 VanDerWaalsContact O-CB 3.31Å; E291-S295 WeakPolarHBondContact O-CB 3.37Å; E291-S295 PolarHBondContact O-N 3.46Å; E291-S295 PolarHBondContact O-OG 3.05Å
292T91.2Very high90.2Very high5 Ų524.9 Ų24.93%0.03114%0.138CC..Hα-helixtrans-69.1-33.6177-55.70000111.7V288 S289 P290 G296 L297 V298 I313V288-T292 HydrophobicContact CG1-CG2 4.1Å; S289-T292 PolarHBondContact N-OG1 2.87Å; S289-T292 VanDerWaalsContact O-CB 3.25Å; S289-T292 WeakPolarHBondContact O-CB 3.23Å; S289-T292 PolarHBondContact O-N 2.92Å; P290-T292 PolarHBondContact O-N 3.02Å; T292-G296 VanDerWaalsContact O-CA 3.22Å; T292-G296 WeakPolarHBondContact O-CA 3.32Å; T292-G296 PolarHBondContact O-N 3.27Å; T292-L297 VanDerWaalsContact CA-O 3.27Å; T292-L297 WeakPolarHBondContact CA-O 3.37Å; T292-L297 WeakPolarHBondContact CB-O 3.24Å; T292-L297 WeakPolarHBondContact CG2-O 3.47Å; T292-L297 PolarHBondContact OG1-O 2.97Å; T292-V298 HydrophobicContact CG2-CG2 3.88Å; T292-I313 HydrophobicContact CG2-CD1 4.1Å; T292-I313 HydrophobicContact CG2-CG1 4.29Å
293V90.3Very high89.4Confident49 Ų4930.5 Ų30.530%0.29716%0.164SC..Hα-helixtrans-68.3-42.7174-175.60000110E223 I224 L227 S289 P290 E291E223-V293 HydrophobicContact CB-CG1 3.83Å; E223-V293 HydrophobicContact CB-CG2 4.04Å; E223-V293 HydrophobicContact CG-CG1 4.33Å; I224-V293 HydrophobicContact CB-CG2 4.49Å; I224-V293 HydrophobicContact CG1-CG2 3.5Å; I224-V293 VanDerWaalsContact CG1-CG2 3.5Å; L227-V293 HydrophobicContact CD1-CG2 3.9Å; S289-V293 PolarHBondContact O-N 3.22Å; P290-V293 WeakPolarHBondContact O-CA 3.5Å; P290-V293 WeakPolarHBondContact O-CB 3.35Å; P290-V293 PolarHBondContact O-N 2.84Å; E291-V293 VanDerWaalsContact C-N 3.32Å
294E87.9Confident88.6Confident147 Ų14731 Ų3169%0.68717%0.17SC*.Hα-helixtrans-72.4-46.1-177-68176.4-160.300112.7P290 E291P290-E294 PolarHBondContact O-N 2.81Å; E291-E294 PolarHBondContact O-N 3.4Å
295S90.6Very high87.9Confident54 Ų5430.9 Ų30.938%0.37817%0.17SC..Hα-helixtrans-95.2-20.9-173.8680000114.5E291 L297E291-S295 VanDerWaalsContact O-CB 3.31Å; E291-S295 WeakPolarHBondContact O-CB 3.37Å; E291-S295 PolarHBondContact O-N 3.46Å; E291-S295 PolarHBondContact O-OG 3.05Å; S295-L297 PolarHBondContact O-N 3.18Å; S295-L297 WeakPolarHBondContact OG-CB 3.2Å; S295-L297 PolarHBondContact OG-N 2.78Å; S295-L297 VanDerWaalsContact OG-N 3.1Å
296G90Very high87.1Confident29 Ų2934.1 Ų34.130%0.29919%0.192SC..SBendtrans71.57.7-168.300000114.5T292 I313T292-G296 VanDerWaalsContact O-CA 3.22Å; T292-G296 WeakPolarHBondContact O-CA 3.32Å; T292-G296 PolarHBondContact O-N 3.27Å; G296-I313 WeakPolarHBondContact O-CG1 3.47Å; G296-I313 PolarHBondContact O-N 3.12Å
297L92Very high86.4Confident59 Ų5937.8 Ų37.831%0.30922%0.215SC..EExtended strand (participates in β ladder)trans-101.9138.2179.3-56.6179.2000111.4T292 S295 P312T292-L297 VanDerWaalsContact CA-O 3.27Å; T292-L297 WeakPolarHBondContact CA-O 3.37Å; T292-L297 WeakPolarHBondContact CB-O 3.24Å; T292-L297 WeakPolarHBondContact CG2-O 3.47Å; T292-L297 PolarHBondContact OG1-O 2.97Å; S295-L297 PolarHBondContact O-N 3.18Å; S295-L297 WeakPolarHBondContact OG-CB 3.2Å; S295-L297 PolarHBondContact OG-N 2.78Å; S295-L297 VanDerWaalsContact OG-N 3.1Å; L297-P312 HydrophobicContact CD2-CB 4.08Å; L297-P312 HydrophobicContact CD2-CG 3.88Å
298V92.5Very high86Confident1 Ų139 Ų391%0.00622%0.222CC..EExtended strand (participates in β ladder)trans-107.7136.7177.8-168.90000108.6V286 I287 T292 Q310 A311 I313 V316V286-V298 HydrophobicContact CG1-CG1 3.38Å; I287-V298 VanDerWaalsContact O-CG1 3.24Å; I287-V298 WeakPolarHBondContact O-CG1 3.38Å; T292-V298 HydrophobicContact CG2-CG2 3.88Å; V298-Q310 WeakPolarHBondContact O-CA 3.49Å; V298-A311 PolarHBondContact N-O 3.49Å; V298-A311 PolarHBondContact O-N 2.9Å; V298-I313 HydrophobicContact CG2-CB 4.14Å; V298-I313 HydrophobicContact CG2-CD1 4.45Å; V298-I313 HydrophobicContact CG2-CG1 3.28Å; V298-V316 HydrophobicContact CB-CG2 3.88Å; V298-V316 HydrophobicContact CG1-CG2 4.45Å; V298-V316 HydrophobicContact CG2-CG2 3.93Å
299E91.3Very high85.7Confident12 Ų1241.8 Ų41.86%0.05624%0.235CC..EExtended strand (participates in β ladder)trans-82127.8170.9-77.8-171-17500110.1S262 M263 V286 I287 V308 Q310S262-E299 WeakPolarHBondContact CB-OE2 3.38Å; S262-E299 PolarHBondContact OG-OE2 3.38Å; M263-E299 PolarHBondContact N-OE1 2.89Å; M263-E299 VanDerWaalsContact N-OE1 3.13Å; V286-E299 CarbonylContact C-O 3.59Å; V286-E299 WeakPolarHBondContact CA-O 3.46Å; I287-E299 HydrophobicContact CB-CB 4.09Å; I287-E299 HydrophobicContact CD1-CB 4.44Å; I287-E299 PolarHBondContact N-O 3.47Å; E299-V308 HydrophobicContact CB-CG1 3.62Å; E299-V308 HydrophobicContact CG-CG1 3.75Å; E299-Q310 HydrophobicContact CG-CG 4.03Å
300I91.4Very high85.6Confident1 Ų146.7 Ų46.71%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-116.5109.8173.7-51.5172.2000107.6I285 V308 E309 A311 V316 L320I285-I300 CarbonylContact O-C 3.49Å; I285-I300 VanDerWaalsContact O-CA 3.31Å; I285-I300 WeakPolarHBondContact O-CA 3.34Å; I300-V308 WeakPolarHBondContact O-CA 3.29Å; I300-E309 PolarHBondContact N-O 2.97Å; I300-E309 PolarHBondContact O-N 3.39Å; I300-A311 HydrophobicContact CD1-CB 4.07Å; I300-V316 HydrophobicContact CD1-CB 4.34Å; I300-V316 HydrophobicContact CD1-CG1 3.88Å; I300-V316 HydrophobicContact CD1-CG2 4.18Å; I300-V316 HydrophobicContact CG1-CG1 4.33Å; I300-L320 HydrophobicContact CG2-CD2 4.2Å
301A85.3Confident85.6Confident0 Ų046.4 Ų46.40%026%0.256CS..EExtended strand (participates in β ladder)trans-88128.4171.100000110.1I285 S304 L305 V308I285-A301 HydrophobicContact CG2-CB 3.1Å; I285-A301 PolarHBondContact N-O 3.25Å; I285-A301 PolarHBondContact O-N 2.96Å; A301-S304 WeakPolarHBondContact CB-O 3.42Å; A301-L305 HydrophobicContact CB-CD2 4.11Å; A301-V308 HydrophobicContact CB-CG2 3.67Å
302L77.4Confident85.8Confident33 Ų3346 Ų4617%0.17326%0.259CS..SBendtrans-77.5-75.5-173.9-63.1174.9000110.4R284 V307R284-L302 WeakPolarHBondContact CD-O 3.25Å; R284-L302 VanDerWaalsContact CZ-O 3.31Å; R284-L302 PolarHBondContact NH1-O 2.84Å; L302-V307 HydrophobicContact CD1-CG1 4.11Å; L302-V307 PolarHBondContact N-O 3.29Å; L302-V307 VanDerWaalsContact N-O 3.13Å
303H71.5Confident85.7Confident124 Ų12448.5 Ų48.557%0.57427%0.272SS*.SBendtrans-112.8-20.5-179.9-68.2-70.7000113Q278 R284Q278-H303 PolarHBondContact NE2-O 2.9Å; R284-H303 PolarHBondContact NH1-CE1 2.9Å; R284-H303 PolarHBondContact NH1-ND1 2.76Å; R284-H303 PolarHBondContact NH2-CE1 2.64Å; R284-H303 PolarHBondContact NH2-NE2 2.91Å
304S73.4Confident85.6Confident36 Ų3650 Ų5025%0.25229%0.289SS..SBendtrans-150.6157.4-178.160.30000109.2A301 S306 V307A301-S304 WeakPolarHBondContact CB-O 3.42Å; S304-S306 PolarHBondContact O-N 3.47Å; S304-S306 PolarHBondContact OG-N 3.23Å; S304-S306 PolarHBondContact OG-OG 3.4Å; S304-V307 PolarHBondContact O-N 2.68Å; S304-V307 VanDerWaalsContact O-N 3.1Å
305L76.3Confident85.7Confident12 Ų1250.6 Ų50.66%0.06329%0.286CS..THydrogen-bonded Turntrans-65.4-3170.7-62.9172000113.2K265 V270 R271 W274 I285 I287 A301K265-L305 HydrophobicContact CB-CB 4.41Å; K265-L305 HydrophobicContact CG-CB 4.37Å; V270-L305 HydrophobicContact CG1-CD1 4.12Å; R271-L305 HydrophobicContact CB-CD1 4.48Å; W274-L305 HydrophobicContact CB-CD1 4.12Å; W274-L305 HydrophobicContact CG-CD1 4.27Å; W274-L305 HydrophobicContact CG-CD2 4.49Å; W274-L305 HydrophobicContact CG-CG 4.18Å; I285-L305 HydrophobicContact CD1-CD2 4.4Å; I285-L305 HydrophobicContact CG2-CD2 4.24Å; I287-L305 HydrophobicContact CD1-CD2 4.35Å; A301-L305 HydrophobicContact CB-CD2 4.11Å
306S76.6Confident85.7Confident68 Ų6848 Ų4848%0.47627%0.268SS..THydrogen-bonded Turntrans-87.1-16.5173.162.80000113.6S304S304-S306 PolarHBondContact O-N 3.47Å; S304-S306 PolarHBondContact OG-N 3.23Å; S304-S306 PolarHBondContact OG-OG 3.4Å
307V79.8Confident85.6Confident78 Ų7850.4 Ų50.447%0.47327%0.271SS..SBendtrans-123.195.6178-173.40000108.2L302 S304L302-V307 HydrophobicContact CD1-CG1 4.11Å; L302-V307 PolarHBondContact N-O 3.29Å; L302-V307 VanDerWaalsContact N-O 3.13Å; S304-V307 PolarHBondContact O-N 2.68Å; S304-V307 VanDerWaalsContact O-N 3.1Å
308V85.1Confident85.4Confident27 Ų2750.7 Ų50.716%0.16428%0.276CS..EExtended strand (participates in β ladder)trans-120.6128.7-175.5-179.60000109.9E299 I300 A301E299-V308 HydrophobicContact CB-CG1 3.62Å; E299-V308 HydrophobicContact CG-CG1 3.75Å; I300-V308 WeakPolarHBondContact O-CA 3.29Å; A301-V308 HydrophobicContact CB-CG2 3.67Å
309E88.9Confident85.3Confident61 Ų6153.7 Ų53.729%0.28529%0.287SS..EExtended strand (participates in β ladder)trans-96.7134.6172.1-176.8-178.5153.500107.9I300 R319I300-E309 PolarHBondContact N-O 2.97Å; I300-E309 PolarHBondContact O-N 3.39Å; E309-R319 IonicContact OE1-NE 2.74Å; E309-R319 PolarHBondContact OE1-NE 3.06Å; E309-R319 IonicContact OE2-CZ 3.94Å; E309-R319 IonicContact OE2-NE 2.61Å; E309-R319 PolarHBondContact OE2-NE 3.42Å; E309-R319 IonicContact OE2-NH2 3.07Å; E309-R319 PolarHBondContact OE2-NH2 2.94Å
310Q89.2Confident85.2Confident107 Ų10753.1 Ų53.150%0.528%0.284SS..EExtended strand (participates in β ladder)trans-100.1124.5167.9-73.2-173.9-14.800108.8V298 E299V298-Q310 WeakPolarHBondContact O-CA 3.49Å; E299-Q310 HydrophobicContact CG-CG 4.03Å
311A89.9Confident84.9Confident5 Ų556 Ų564%0.04130%0.299CS..EExtended strand (participates in β ladder)trans-132.4143.4-179.100000110.5V298 I300 I313 V316V298-A311 PolarHBondContact N-O 3.49Å; V298-A311 PolarHBondContact O-N 2.9Å; I300-A311 HydrophobicContact CD1-CB 4.07Å; A311-I313 PolarHBondContact O-N 2.91Å; A311-V316 HydrophobicContact CB-CG2 4.28Å
312P91.9Very high84.8Confident58 Ų5863.5 Ų63.538%0.37733%0.334SS..EExtended strand (participates in β ladder)trans-60.7143.4172.2-11.923.1000109.9L297 A314 Y315 V316L297-P312 HydrophobicContact CD2-CB 4.08Å; L297-P312 HydrophobicContact CD2-CG 3.88Å; P312-A314 PolarHBondContact O-N 3.49Å; P312-Y315 HydrophobicContact CB-CD2 3.91Å; P312-Y315 HydrophobicContact CG-CD2 3.76Å; P312-Y315 HydrophobicContact CG-CE2 4.34Å; P312-Y315 PolarHBondContact O-N 2.93Å; P312-V316 PolarHBondContact O-N 3.47Å
313I88.7Confident85.1Confident58 Ų5864.4 Ų64.430%0.29734%0.338SS..Hα-helixtrans-47.5-40-175.2-68.1158.4000112.6L227 L231 T292 G296 V298 A311 Y315 V316L227-I313 HydrophobicContact CD2-CD1 4.04Å; L231-I313 HydrophobicContact CD1-CG2 4.1Å; T292-I313 HydrophobicContact CG2-CD1 4.1Å; T292-I313 HydrophobicContact CG2-CG1 4.29Å; G296-I313 WeakPolarHBondContact O-CG1 3.47Å; G296-I313 PolarHBondContact O-N 3.12Å; V298-I313 HydrophobicContact CG2-CB 4.14Å; V298-I313 HydrophobicContact CG2-CD1 4.45Å; V298-I313 HydrophobicContact CG2-CG1 3.28Å; A311-I313 PolarHBondContact O-N 2.91Å; I313-Y315 VanDerWaalsContact C-N 3.29Å; I313-Y315 PolarHBondContact O-N 3.1Å; I313-V316 PolarHBondContact O-N 2.92Å
314A87.3Confident85.8Confident80 Ų8058.6 Ų58.666%0.66131%0.311SS*.Hα-helixtrans-64.5-28.4-179.900000114.1P312 P318P312-A314 PolarHBondContact O-N 3.49Å; A314-P318 WeakPolarHBondContact O-CD 3.37Å
315Y90.4Very high85.8Confident159 Ų15959.5 Ų59.562%0.62431%0.312SS*.Hα-helixtrans-91.7-17.1-176.9-73-84.4000113.9P312 I313 K317 P318 R319P312-Y315 HydrophobicContact CB-CD2 3.91Å; P312-Y315 HydrophobicContact CG-CD2 3.76Å; P312-Y315 HydrophobicContact CG-CE2 4.34Å; P312-Y315 PolarHBondContact O-N 2.93Å; I313-Y315 VanDerWaalsContact C-N 3.29Å; I313-Y315 PolarHBondContact O-N 3.1Å; Y315-K317 VanDerWaalsContact C-N 3.34Å; Y315-K317 PolarHBondContact O-N 3.47Å; Y315-P318 WeakPolarHBondContact O-CD 3.45Å; Y315-R319 WeakPolarHBondContact O-CB 3.3Å; Y315-R319 PolarHBondContact O-N 3.45Å
316V90.3Very high85Confident0 Ų061 Ų610%032%0.323CS..Hα-helixtrans-55.7-47.6-178.9179.30000111.4F235 V286 V298 I300 A311 P312 I313 L320F235-V316 HydrophobicContact CE1-CG1 4.11Å; F235-V316 HydrophobicContact CZ-CG1 3.77Å; V286-V316 HydrophobicContact CG1-CG1 4.19Å; V298-V316 HydrophobicContact CB-CG2 3.88Å; V298-V316 HydrophobicContact CG1-CG2 4.45Å; V298-V316 HydrophobicContact CG2-CG2 3.93Å; I300-V316 HydrophobicContact CD1-CB 4.34Å; I300-V316 HydrophobicContact CD1-CG1 3.88Å; I300-V316 HydrophobicContact CD1-CG2 4.18Å; I300-V316 HydrophobicContact CG1-CG1 4.33Å; A311-V316 HydrophobicContact CB-CG2 4.28Å; P312-V316 PolarHBondContact O-N 3.47Å; I313-V316 PolarHBondContact O-N 2.92Å; V316-L320 HydrophobicContact CG1-CD1 3.71Å; V316-L320 HydrophobicContact CG1-CG 4.43Å; V316-L320 WeakPolarHBondContact O-CB 3.16Å; V316-L320 VanDerWaalsContact O-CG 3.24Å; V316-L320 WeakPolarHBondContact O-CG 3.43Å; V316-L320 PolarHBondContact O-N 3.22Å
317K89Confident83.7Confident80 Ų8063.3 Ų63.335%0.34833%0.334SS..Hα-helixtrans-64.4-54.8-179172.9-173.766.7178.70112.5F235 A238 Y315 R319 L320 L321F235-K317 HydrophobicContact CE1-CB 4.41Å; A238-K317 HydrophobicContact CB-CD 3.89Å; A238-K317 HydrophobicContact CB-CG 4.16Å; Y315-K317 VanDerWaalsContact C-N 3.34Å; Y315-K317 PolarHBondContact O-N 3.47Å; K317-R319 VanDerWaalsContact C-N 3.3Å; K317-R319 PolarHBondContact O-N 3.22Å; K317-L320 PolarHBondContact O-N 3.37Å; K317-L321 HydrophobicContact CG-CD1 4.15Å; K317-L321 HydrophobicContact CG-CG 4.46Å; K317-L321 WeakPolarHBondContact O-CG 3.47Å; K317-L321 PolarHBondContact O-N 2.96Å
318P88Confident82.2Confident64 Ų6462 Ų6242%0.41632%0.323SS..Hα-helixtrans-54.5-43.9176.3-26.932.4000113.5A314 Y315 L320 L321 Q322A314-P318 WeakPolarHBondContact O-CD 3.37Å; Y315-P318 WeakPolarHBondContact O-CD 3.45Å; P318-L320 PolarHBondContact O-N 2.92Å; P318-L321 WeakPolarHBondContact O-CB 3.35Å; P318-L321 PolarHBondContact O-N 3.06Å; P318-Q322 PolarHBondContact O-N 3.19Å
319R88.8Confident79.9Confident65 Ų6566.4 Ų66.425%0.24535%0.35CS..Hα-helixtrans-61.2-44.1179.9175.762.2-177.876.912.6112.5E309 Y315 K317 E323E309-R319 IonicContact OE1-NE 2.74Å; E309-R319 PolarHBondContact OE1-NE 3.06Å; E309-R319 IonicContact OE2-CZ 3.94Å; E309-R319 IonicContact OE2-NE 2.61Å; E309-R319 PolarHBondContact OE2-NE 3.42Å; E309-R319 IonicContact OE2-NH2 3.07Å; E309-R319 PolarHBondContact OE2-NH2 2.94Å; Y315-R319 WeakPolarHBondContact O-CB 3.3Å; Y315-R319 PolarHBondContact O-N 3.45Å; K317-R319 VanDerWaalsContact C-N 3.3Å; K317-R319 PolarHBondContact O-N 3.22Å; R319-E323 IonicContact CZ-OE2 3.28Å; R319-E323 IonicContact NH1-OE2 3.83Å; R319-E323 PolarHBondContact NH1-OE2 3.13Å; R319-E323 IonicContact NH2-OE2 2.82Å; R319-E323 PolarHBondContact NH2-OE2 3.28Å; R319-E323 PolarHBondContact O-N 3.33Å
320L89.3Confident77.5Confident0 Ų065.1 Ų65.10%035%0.345CS..Hα-helixtrans-71.1-35176.9-68.7171.4000112L208 F235 F240 R284 V286 I300 V316 K317 P318 E323 L324L208-L320 HydrophobicContact CD1-CD1 3.82Å; L208-L320 HydrophobicContact CD2-CD1 3.86Å; L208-L320 HydrophobicContact CD2-CD2 4Å; L208-L320 HydrophobicContact CD2-CG 4.47Å; F235-L320 HydrophobicContact CE1-CD1 3.94Å; F235-L320 HydrophobicContact CZ-CD1 4.01Å; F240-L320 HydrophobicContact CE2-CB 3.99Å; F240-L320 VanDerWaalsContact CZ-C 3.42Å; F240-L320 HydrophobicContact CZ-CB 3.84Å; F240-L320 WeakPolarHBondContact CZ-O 3.06Å; R284-L320 HydrophobicContact CG-CD2 4.22Å; V286-L320 HydrophobicContact CG2-CD1 4.03Å; I300-L320 HydrophobicContact CG2-CD2 4.2Å; V316-L320 HydrophobicContact CG1-CD1 3.71Å; V316-L320 HydrophobicContact CG1-CG 4.43Å; V316-L320 WeakPolarHBondContact O-CB 3.16Å; V316-L320 VanDerWaalsContact O-CG 3.24Å; V316-L320 WeakPolarHBondContact O-CG 3.43Å; V316-L320 PolarHBondContact O-N 3.22Å; K317-L320 PolarHBondContact O-N 3.37Å; P318-L320 PolarHBondContact O-N 2.92Å; L320-E323 PolarHBondContact O-N 3.48Å; L320-L324 HydrophobicContact CD2-CD1 4.05Å; L320-L324 WeakPolarHBondContact O-CB 3.35Å; L320-L324 PolarHBondContact O-N 3.39Å
321L84.9Confident74.9Confident60 Ų6066.2 Ų66.231%0.31435%0.354SS..Hα-helixtrans-58.5-49174.1-78.4173.5000110.8A238 F240 K317 P318 E323 M325A238-L321 HydrophobicContact CB-CD2 4.44Å; F240-L321 HydrophobicContact CD2-CD2 4.39Å; F240-L321 HydrophobicContact CE2-CB 4.46Å; F240-L321 HydrophobicContact CE2-CD2 3.5Å; F240-L321 HydrophobicContact CE2-CG 3.69Å; F240-L321 HydrophobicContact CZ-CB 4.47Å; F240-L321 HydrophobicContact CZ-CD2 3.77Å; F240-L321 HydrophobicContact CZ-CG 4.11Å; K317-L321 HydrophobicContact CG-CD1 4.15Å; K317-L321 HydrophobicContact CG-CG 4.46Å; K317-L321 WeakPolarHBondContact O-CG 3.47Å; K317-L321 PolarHBondContact O-N 2.96Å; P318-L321 WeakPolarHBondContact O-CB 3.35Å; P318-L321 PolarHBondContact O-N 3.06Å; L321-E323 PolarHBondContact O-N 3.48Å; L321-M325 HydrophobicContact CD2-CB 4.44Å; L321-M325 HydrophobicContact CD2-CG 3.97Å; L321-M325 HydrophobicContact CD2-SD 4.38Å; L321-M325 CarbonylContact O-C 3.59Å; L321-M325 WeakPolarHBondContact O-CA 3.25Å; L321-M325 VanDerWaalsContact O-CB 3.29Å; L321-M325 WeakPolarHBondContact O-CB 3.42Å; L321-M325 PolarHBondContact O-N 3.24Å
322Q84.5Confident72.3Confident159 Ų15971.4 Ų71.474%0.74338%0.381SS*.Hα-helixtrans-59.3-37-179.7-171.5177.99.200112.6P318P318-Q322 PolarHBondContact O-N 3.19Å
323E84.4Confident69.5Low52 Ų5276 Ų7624%0.24340%0.403CS..Hα-helixtrans-85.7-45-175.6-179.3-179.617700113.8R284 R319 L320 L321R284-E323 IonicContact CZ-OE1 3.22Å; R284-E323 IonicContact NE-OE1 2.71Å; R284-E323 PolarHBondContact NE-OE1 2.93Å; R284-E323 IonicContact NE-OE2 3.68Å; R284-E323 IonicContact NH2-OE1 2.6Å; R284-E323 PolarHBondContact NH2-OE1 2.86Å; R319-E323 IonicContact CZ-OE2 3.28Å; R319-E323 IonicContact NH1-OE2 3.83Å; R319-E323 PolarHBondContact NH1-OE2 3.13Å; R319-E323 IonicContact NH2-OE2 2.82Å; R319-E323 PolarHBondContact NH2-OE2 3.28Å; R319-E323 PolarHBondContact O-N 3.33Å; L320-E323 PolarHBondContact O-N 3.48Å; L321-E323 PolarHBondContact O-N 3.48Å
324L84.7Confident66.9Low2 Ų276 Ų761%0.0142%0.416CS..Hα-helixtrans-104-6.9-167.4-59.3178.4000113.1P201 K207 L208 F240 L283 R284 L320 P326P201-L324 HydrophobicContact CB-CD2 4.34Å; P201-L324 HydrophobicContact CG-CD2 4.34Å; K207-L324 HydrophobicContact CB-CD1 4.22Å; L208-L324 HydrophobicContact CD2-CD1 3.63Å; F240-L324 HydrophobicContact CE1-CB 3.77Å; F240-L324 HydrophobicContact CE1-CD1 4.02Å; F240-L324 HydrophobicContact CZ-CB 4.34Å; L283-L324 HydrophobicContact CB-CD2 4.34Å; L283-L324 HydrophobicContact CD1-CD2 4Å; R284-L324 HydrophobicContact CG-CD1 3.85Å; R284-L324 HydrophobicContact CG-CD2 4.22Å; R284-L324 HydrophobicContact CG-CG 4.49Å; L320-L324 HydrophobicContact CD2-CD1 4.05Å; L320-L324 WeakPolarHBondContact O-CB 3.35Å; L320-L324 PolarHBondContact O-N 3.39Å; L324-P326 WeakPolarHBondContact O-CD 3.03Å
325M73.1Confident64.4Low54 Ų5476.1 Ų76.127%0.26641%0.406SS..SBendtrans-120.367.5171.6-59-120.858.900108.4K9 K207 F240 L321 T327K9-M325 VanDerWaalsContact NZ-CE 3.32Å; K207-M325 PolarHBondContact NZ-SD 3.31Å; F240-M325 HydrophobicContact CE1-CG 4.04Å; F240-M325 HydrophobicContact CZ-CG 3.99Å; L321-M325 HydrophobicContact CD2-CB 4.44Å; L321-M325 HydrophobicContact CD2-CG 3.97Å; L321-M325 HydrophobicContact CD2-SD 4.38Å; L321-M325 CarbonylContact O-C 3.59Å; L321-M325 WeakPolarHBondContact O-CA 3.25Å; L321-M325 VanDerWaalsContact O-CB 3.29Å; L321-M325 WeakPolarHBondContact O-CB 3.42Å; L321-M325 PolarHBondContact O-N 3.24Å; M325-T327 PolarHBondContact O-N 3.48Å
326P60.8Low61.6Low45 Ų4577.1 Ų77.129%0.29242%0.421SS..  trans-54.1120.6173.222.4-30.9000107.6L202 L324 M328L202-P326 HydrophobicContact CD2-CG 4.06Å; L202-P326 HydrophobicContact CG-CG 4.44Å; L324-P326 WeakPolarHBondContact O-CD 3.03Å; P326-M328 PolarHBondContact O-N 3.33Å; P326-M328 VanDerWaalsContact O-N 3.14Å
327T49.6Very low58.7Low116 Ų11685.1 Ų85.171%0.71248%0.477SS*.  trans-58.9117.1165.842.40000105.1M325 T329M325-T327 PolarHBondContact O-N 3.48Å; T327-T329 PolarHBondContact O-N 3.01Å
328M48.2Very low57.1Low49 Ų4985.4 Ų85.424%0.24148%0.483CS..  trans-64.988.1167.6-74.8-165.169.200106.7W13 W98 P326 I330W13-M328 HydrophobicContact CG-SD 4.23Å; W13-M328 PolarHBondContact NE1-SD 2.85Å; W13-M328 VanDerWaalsContact NE1-SD 3.44Å; W98-M328 HydrophobicContact CB-CE 4.45Å; W98-M328 VanDerWaalsContact CD1-SD 3.55Å; P326-M328 PolarHBondContact O-N 3.33Å; P326-M328 VanDerWaalsContact O-N 3.14Å; M328-I330 HydrophobicContact CB-CD1 4.36Å; M328-I330 HydrophobicContact CB-CG1 4.14Å; M328-I330 HydrophobicContact CE-CD1 4.18Å; M328-I330 HydrophobicContact CE-CG1 4.2Å; M328-I330 PolarHBondContact O-N 3.44Å
329T36.5Very low55.5Low121 Ų12186.5 Ų86.574%0.74249%0.487SS*.  trans-68.983.2161.639.80000105.2T327 D331T327-T329 PolarHBondContact O-N 3.01Å; T329-D331 PolarHBondContact O-N 2.96Å
330I39.1Very low53.7Low33 Ų3387.7 Ų87.717%0.16950%0.5CS..  trans-78.4112.4161.1-57.8168.4000102.2W13 T17 R94 M328 D332W13-I330 HydrophobicContact CZ2-CD1 4.36Å; W13-I330 VanDerWaalsContact NE1-CD1 3.32Å; T17-I330 HydrophobicContact CG2-CD1 3.31Å; T17-I330 HydrophobicContact CG2-CG2 4.32Å; T17-I330 WeakPolarHBondContact OG1-CD1 3.42Å; R94-I330 HydrophobicContact CG-CG2 4.31Å; R94-I330 VanDerWaalsContact CZ-CG2 3.46Å; M328-I330 HydrophobicContact CB-CD1 4.36Å; M328-I330 HydrophobicContact CB-CG1 4.14Å; M328-I330 HydrophobicContact CE-CD1 4.18Å; M328-I330 HydrophobicContact CE-CG1 4.2Å; M328-I330 PolarHBondContact O-N 3.44Å; I330-D332 PolarHBondContact O-N 3.38Å
331D32.9Very low51.6Low130 Ų13092.9 Ų92.970%0.69553%0.53SS*.  trans-47.1112.2175.1-80.3-33000108.8T329T329-D331 PolarHBondContact O-N 2.96Å
332D35.7Very low49.5Very low114 Ų11494.9 Ų94.961%0.6154%0.543SS*.SBendtrans-74.5-16.7172.1-86-28.9000110.8I330 G334 L335I330-D332 PolarHBondContact O-N 3.38Å; D332-G334 PolarHBondContact O-N 3.15Å; D332-L335 PolarHBondContact O-N 2.89Å
333D34.3Very low47.2Very low156 Ų15690.7 Ų90.783%0.83453%0.53SS*.THydrogen-bonded Turntrans-68.2-2.3-171.9-73.9-21.5000115
334G32.9Very low44.5Very low56 Ų5693.4 Ų93.458%0.57755%0.55SS**THydrogen-bonded Turntrans-106.7-1.7-179.600000116.8D332D332-G334 PolarHBondContact O-N 3.15Å
335L34.7Very low41.4Very low84 Ų84100.5 Ų100.544%0.4459%0.592SS.*SBendtrans-121.55.4-166.1-84.6152.7000115.9D332D332-L335 PolarHBondContact O-N 2.89Å
336L31.6Very low38.8Very low180 Ų180104.3 Ų104.394%0.94262%0.619SS**  trans-122.322174.2-70175.2000113.2
337S29.2Very low36.8Very low168 Ų168109.7 Ų109.7100%1.17565%0.649SS**  trans-115.90173.165.10000112.7

Retrieved 337 of 337 residues in 125.2 ms (Link to these results)

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