A0A5K4FBH1_SCHMA Loading...

GPI inositol-deacylase

Involved in inositol deacylation of GPI-anchored proteins which plays important roles in the quality control and ER-associated degradation of GPI-anchored proteins.

AlphaFold DB , UniProt , Accession A0A5K4FBH1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 899 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
1M34.6Very low47.5Very low222 Ų222111.7 Ų111.7100%1.09456%0.555SS**  0-40.90-82.4175.9171.200113.4Y3 T5M1-Y3 PolarHBondContact O-N 2.94Å; M1-T5 PolarHBondContact O-OG1 3.42Å
2G42.5Very low49Very low46 Ų46107.8 Ų107.847%0.47455%0.546SS..Hα-helixtrans-64-22.1-178.400000117.8T5 I6G2-T5 WeakPolarHBondContact CA-OG1 3.4Å; G2-T5 PolarHBondContact O-OG1 3.38Å; G2-I6 WeakPolarHBondContact O-CD1 3.38Å; G2-I6 VanDerWaalsContact O-CG1 3.27Å; G2-I6 WeakPolarHBondContact O-CG1 3.24Å; G2-I6 PolarHBondContact O-N 3.19Å
3Y34.5Very low50.3Low165 Ų165106.8 Ų106.865%0.64754%0.541SS*.Hα-helixtrans-83.8-35.4-177.3-72.6-72.1000114.5M1 T5 I6 G7 H682M1-Y3 PolarHBondContact O-N 2.94Å; Y3-T5 PolarHBondContact O-N 3.39Å; Y3-I6 PolarHBondContact O-N 3.04Å; Y3-G7 PolarHBondContact O-N 3.2Å; Y3-H682 AromaticContact CD1-CE1 3.36Å; Y3-H682 WeakPolarHBondContact CD1-CE1 3.22Å; Y3-H682 AromaticContact CE1-CE1 3.64Å; Y3-H682 AromaticContact CE1-NE2 3.88Å
4H44.1Very low50.4Low146 Ų146101.4 Ų101.468%0.67652%0.515SS*.Hα-helixtrans-67-28.2172.4-96.8-57.1000111.7K8H4-K8 VanDerWaalsContact O-CB 3.3Å; H4-K8 WeakPolarHBondContact O-CB 3.4Å; H4-K8 WeakPolarHBondContact O-CD 3.41Å; H4-K8 WeakPolarHBondContact O-CG 3.36Å; H4-K8 PolarHBondContact O-N 3.46Å
5T48Very low51.9Low81 Ų81100.2 Ų100.250%0.49751%0.51SS..Hα-helixtrans-70.4-44.4173.139.50000111.4M1 G2 Y3 K8 T9M1-T5 PolarHBondContact O-OG1 3.42Å; G2-T5 WeakPolarHBondContact CA-OG1 3.4Å; G2-T5 PolarHBondContact O-OG1 3.38Å; Y3-T5 PolarHBondContact O-N 3.39Å; T5-K8 PolarHBondContact O-N 3.36Å; T5-T9 WeakPolarHBondContact O-CG2 3.22Å; T5-T9 PolarHBondContact O-N 3.47Å; T5-T9 PolarHBondContact O-OG1 3.24Å
6I46.2Very low53.2Low83 Ų8398 Ų9843%0.42651%0.505SS..Hα-helixtrans-63.6-48.5-178.6-67.3163.1000112G2 Y3 K8 T9 Y10G2-I6 WeakPolarHBondContact O-CD1 3.38Å; G2-I6 VanDerWaalsContact O-CG1 3.27Å; G2-I6 WeakPolarHBondContact O-CG1 3.24Å; G2-I6 PolarHBondContact O-N 3.19Å; Y3-I6 PolarHBondContact O-N 3.04Å; I6-K8 VanDerWaalsContact C-N 3.33Å; I6-K8 PolarHBondContact O-N 3.27Å; I6-T9 VanDerWaalsContact CA-OG1 3.28Å; I6-T9 WeakPolarHBondContact CA-OG1 3.31Å; I6-T9 PolarHBondContact O-N 3.07Å; I6-T9 PolarHBondContact O-OG1 3.46Å; I6-Y10 HydrophobicContact CG2-CD2 3.54Å; I6-Y10 HydrophobicContact CG2-CE2 3.39Å; I6-Y10 WeakPolarHBondContact O-CD2 3.42Å; I6-Y10 PolarHBondContact O-N 2.88Å
7G49.5Very low54.1Low15 Ų1595.8 Ų95.816%0.15549%0.494CS..Hα-helixtrans-62.8-38.9177.900000112.9Y3 F11Y3-G7 PolarHBondContact O-N 3.2Å; G7-F11 WeakPolarHBondContact O-CB 3.14Å; G7-F11 PolarHBondContact O-N 2.89Å
8K56.4Low55.1Low148 Ų14894.9 Ų94.964%0.64349%0.493SS*.Hα-helixtrans-66.7-41.4174.4-75.6179.6-179.9-172.70112.2H4 T5 I6 S12H4-K8 VanDerWaalsContact O-CB 3.3Å; H4-K8 WeakPolarHBondContact O-CB 3.4Å; H4-K8 WeakPolarHBondContact O-CD 3.41Å; H4-K8 WeakPolarHBondContact O-CG 3.36Å; H4-K8 PolarHBondContact O-N 3.46Å; T5-K8 PolarHBondContact O-N 3.36Å; I6-K8 VanDerWaalsContact C-N 3.33Å; I6-K8 PolarHBondContact O-N 3.27Å; K8-S12 VanDerWaalsContact O-CB 3.28Å; K8-S12 WeakPolarHBondContact O-CB 3.44Å; K8-S12 PolarHBondContact O-N 2.91Å
9T57.7Low56.2Low75 Ų7595 Ų9546%0.4649%0.494SS..Hα-helixtrans-64.4-42.1176.746.50000111.4T5 I6 S12 I13T5-T9 WeakPolarHBondContact O-CG2 3.22Å; T5-T9 PolarHBondContact O-N 3.47Å; T5-T9 PolarHBondContact O-OG1 3.24Å; I6-T9 VanDerWaalsContact CA-OG1 3.28Å; I6-T9 WeakPolarHBondContact CA-OG1 3.31Å; I6-T9 PolarHBondContact O-N 3.07Å; I6-T9 PolarHBondContact O-OG1 3.46Å; T9-S12 WeakPolarHBondContact O-CB 3.27Å; T9-S12 PolarHBondContact O-N 3.16Å; T9-I13 WeakPolarHBondContact O-CD1 3.32Å; T9-I13 VanDerWaalsContact O-CG1 3.23Å; T9-I13 WeakPolarHBondContact O-CG1 3.49Å; T9-I13 PolarHBondContact O-N 3.42Å
10Y50Low57.1Low119 Ų11994.8 Ų94.847%0.46749%0.493SS..Hα-helixtrans-66.2-46.1177-82-67.7000112.4I6 S12 I13 N14I6-Y10 HydrophobicContact CG2-CD2 3.54Å; I6-Y10 HydrophobicContact CG2-CE2 3.39Å; I6-Y10 WeakPolarHBondContact O-CD2 3.42Å; I6-Y10 PolarHBondContact O-N 2.88Å; Y10-S12 VanDerWaalsContact C-N 3.25Å; Y10-S12 PolarHBondContact O-N 3.07Å; Y10-I13 PolarHBondContact O-N 3.21Å; Y10-N14 WeakPolarHBondContact O-CB 3.45Å; Y10-N14 PolarHBondContact O-N 3.36Å; Y10-N14 PolarHBondContact O-ND2 3.41Å
11F58.9Low57.7Low129 Ų12993.2 Ų93.257%0.56649%0.485SS*.Hα-helixtrans-58.6-41.1174.8-177.3-97.1000111.3G7 N14 L15G7-F11 WeakPolarHBondContact O-CB 3.14Å; G7-F11 PolarHBondContact O-N 2.89Å; F11-N14 PolarHBondContact O-N 3.49Å; F11-L15 HydrophobicContact CE1-CD2 4.41Å; F11-L15 VanDerWaalsContact O-CB 3.31Å; F11-L15 WeakPolarHBondContact O-CB 3.27Å; F11-L15 PolarHBondContact O-N 3.42Å
12S65.6Low59.6Low64 Ų6487.8 Ų87.845%0.44846%0.46SS..Hα-helixtrans-63.4-46.4176.2-168.40000112.6K8 T9 Y10 N14 L15 C16K8-S12 VanDerWaalsContact O-CB 3.28Å; K8-S12 WeakPolarHBondContact O-CB 3.44Å; K8-S12 PolarHBondContact O-N 2.91Å; T9-S12 WeakPolarHBondContact O-CB 3.27Å; T9-S12 PolarHBondContact O-N 3.16Å; Y10-S12 VanDerWaalsContact C-N 3.25Å; Y10-S12 PolarHBondContact O-N 3.07Å; S12-N14 VanDerWaalsContact C-N 3.31Å; S12-N14 PolarHBondContact O-N 2.9Å; S12-L15 PolarHBondContact O-N 3.3Å; S12-C16 WeakPolarHBondContact O-CB 3.3Å; S12-C16 PolarHBondContact O-N 3.43Å; S12-C16 PolarHBondContact O-SG 3.47Å
13I65.7Low61.3Low95 Ų9593.4 Ų93.449%0.48747%0.467SS..Hα-helixtrans-60.9-43.1178.6-70162000110.5T9 Y10 C16 L17T9-I13 WeakPolarHBondContact O-CD1 3.32Å; T9-I13 VanDerWaalsContact O-CG1 3.23Å; T9-I13 WeakPolarHBondContact O-CG1 3.49Å; T9-I13 PolarHBondContact O-N 3.42Å; Y10-I13 PolarHBondContact O-N 3.21Å; I13-C16 WeakPolarHBondContact O-CB 3.43Å; I13-C16 PolarHBondContact O-N 2.88Å; I13-L17 HydrophobicContact CG2-CD1 4.37Å; I13-L17 WeakPolarHBondContact O-CG 3.44Å; I13-L17 PolarHBondContact O-N 3.03Å
14N52.4Low63Low31 Ų3185.6 Ų85.617%0.16644%0.437CS..Hα-helixtrans-69.8-41.3179.9-73.6-60.5000112.7Y10 F11 S12 C16 L17 V18 L692Y10-N14 WeakPolarHBondContact O-CB 3.45Å; Y10-N14 PolarHBondContact O-N 3.36Å; Y10-N14 PolarHBondContact O-ND2 3.41Å; F11-N14 PolarHBondContact O-N 3.49Å; S12-N14 VanDerWaalsContact C-N 3.31Å; S12-N14 PolarHBondContact O-N 2.9Å; N14-C16 VanDerWaalsContact C-N 3.26Å; N14-C16 PolarHBondContact O-N 3.29Å; N14-L17 PolarHBondContact O-N 3.19Å; N14-L17 VanDerWaalsContact O-N 3.16Å; N14-V18 WeakPolarHBondContact O-CG2 3.48Å; N14-V18 PolarHBondContact O-N 3.31Å; N14-L692 HydrophobicContact CB-CD1 4.45Å; N14-L692 WeakPolarHBondContact OD1-CD1 3.23Å
15L72.8Confident64.3Low84 Ų8479.7 Ų79.744%0.4442%0.415SS..Hα-helixtrans-59-42.4172.3-175.765.5000110.3F11 S12 V18 L19F11-L15 HydrophobicContact CE1-CD2 4.41Å; F11-L15 VanDerWaalsContact O-CB 3.31Å; F11-L15 WeakPolarHBondContact O-CB 3.27Å; F11-L15 PolarHBondContact O-N 3.42Å; S12-L15 PolarHBondContact O-N 3.3Å; L15-V18 PolarHBondContact O-N 3.1Å; L15-L19 HydrophobicContact CD1-CD1 4.41Å; L15-L19 HydrophobicContact CD1-CG 4.45Å; L15-L19 HydrophobicContact CG-CD1 3.98Å; L15-L19 HydrophobicContact CG-CG 4.43Å; L15-L19 VanDerWaalsContact O-CB 3.3Å; L15-L19 WeakPolarHBondContact O-CB 3.17Å; L15-L19 WeakPolarHBondContact O-CG 3.47Å; L15-L19 PolarHBondContact O-N 3.34Å
16C72.1Confident65.7Low65 Ų6579.9 Ų79.944%0.43942%0.416SS..Hα-helixtrans-60.5-43.4173.5-71.50000112.4S12 I13 N14 L19 L20S12-C16 WeakPolarHBondContact O-CB 3.3Å; S12-C16 PolarHBondContact O-N 3.43Å; S12-C16 PolarHBondContact O-SG 3.47Å; I13-C16 WeakPolarHBondContact O-CB 3.43Å; I13-C16 PolarHBondContact O-N 2.88Å; N14-C16 VanDerWaalsContact C-N 3.26Å; N14-C16 PolarHBondContact O-N 3.29Å; C16-L19 PolarHBondContact O-N 2.92Å; C16-L20 WeakPolarHBondContact O-CB 3.2Å; C16-L20 WeakPolarHBondContact O-CG 3.07Å; C16-L20 PolarHBondContact O-N 2.7Å
17L68.7Low67.1Low60 Ų6078.3 Ų78.331%0.31441%0.406SS..Hα-helixtrans-63.8-44.5177.2-75.2170.6000112.5I13 N14 L19 L20 L21 L696I13-L17 HydrophobicContact CG2-CD1 4.37Å; I13-L17 WeakPolarHBondContact O-CG 3.44Å; I13-L17 PolarHBondContact O-N 3.03Å; N14-L17 PolarHBondContact O-N 3.19Å; N14-L17 VanDerWaalsContact O-N 3.16Å; L17-L19 VanDerWaalsContact C-N 3.35Å; L17-L20 PolarHBondContact O-N 2.81Å; L17-L21 WeakPolarHBondContact O-CG 3.32Å; L17-L21 PolarHBondContact O-N 3.23Å; L17-L696 HydrophobicContact CD1-CD1 4.21Å
18V71.2Confident68.1Low80 Ų8080.5 Ų80.549%0.48541%0.41SS..Hα-helixtrans-63.6-43.4176.3173.40000110.5N14 L15 L20 L21 L22N14-V18 WeakPolarHBondContact O-CG2 3.48Å; N14-V18 PolarHBondContact O-N 3.31Å; L15-V18 PolarHBondContact O-N 3.1Å; V18-L20 VanDerWaalsContact C-N 3.32Å; V18-L20 PolarHBondContact O-N 3.43Å; V18-L21 PolarHBondContact O-N 2.78Å; V18-L22 HydrophobicContact CG1-CD1 4.08Å; V18-L22 HydrophobicContact CG1-CG 4.39Å; V18-L22 WeakPolarHBondContact O-CB 3.5Å; V18-L22 VanDerWaalsContact O-CG 3.31Å; V18-L22 WeakPolarHBondContact O-CG 3.41Å; V18-L22 PolarHBondContact O-N 3.05Å
19L77.8Confident68.7Low97 Ų9781 Ų8151%0.50841%0.409SS..Hα-helixtrans-63.7-37.4175.4-71.6172.8000112L15 C16 L17 W23L15-L19 HydrophobicContact CD1-CD1 4.41Å; L15-L19 HydrophobicContact CD1-CG 4.45Å; L15-L19 HydrophobicContact CG-CD1 3.98Å; L15-L19 HydrophobicContact CG-CG 4.43Å; L15-L19 VanDerWaalsContact O-CB 3.3Å; L15-L19 WeakPolarHBondContact O-CB 3.17Å; L15-L19 WeakPolarHBondContact O-CG 3.47Å; L15-L19 PolarHBondContact O-N 3.34Å; C16-L19 PolarHBondContact O-N 2.92Å; L17-L19 VanDerWaalsContact C-N 3.35Å; L19-W23 WeakPolarHBondContact O-CB 3.32Å; L19-W23 PolarHBondContact O-N 2.96Å
20L74Confident69.4Low90 Ų9081.4 Ų81.447%0.47141%0.411SS..Hα-helixtrans-65.9-42.3174.1-77.4167.7000111.7C16 L17 V18 W23 S24C16-L20 WeakPolarHBondContact O-CB 3.2Å; C16-L20 WeakPolarHBondContact O-CG 3.07Å; C16-L20 PolarHBondContact O-N 2.7Å; L17-L20 PolarHBondContact O-N 2.81Å; V18-L20 VanDerWaalsContact C-N 3.32Å; V18-L20 PolarHBondContact O-N 3.43Å; L20-W23 PolarHBondContact O-N 3.27Å; L20-S24 VanDerWaalsContact O-CB 3.28Å; L20-S24 WeakPolarHBondContact O-CB 3.41Å; L20-S24 PolarHBondContact O-N 3.26Å; L20-S24 PolarHBondContact O-OG 3.29Å; L20-S24 VanDerWaalsContact O-OG 3.12Å
21L69.9Low70.3Confident63 Ų6380.7 Ų80.733%0.3342%0.416SS..Hα-helixtrans-63.6-47.8175.2-72.8171.8000111L17 V18 W23 S24 G25 F631 I635L17-L21 WeakPolarHBondContact O-CG 3.32Å; L17-L21 PolarHBondContact O-N 3.23Å; V18-L21 PolarHBondContact O-N 2.78Å; L21-W23 PolarHBondContact O-N 2.81Å; L21-S24 WeakPolarHBondContact CA-OG 3.14Å; L21-S24 PolarHBondContact O-N 3.43Å; L21-S24 PolarHBondContact O-OG 2.91Å; L21-G25 PolarHBondContact O-N 3.29Å; L21-F631 HydrophobicContact CD2-CD1 4.4Å; L21-I635 HydrophobicContact CD2-CD1 4.03Å; L21-I635 HydrophobicContact CD2-CG1 4.37Å; L21-I635 WeakPolarHBondContact O-CD1 3.3Å
22L74.4Confident70.7Confident107 Ų10777.3 Ų77.356%0.5641%0.408SS*.Hα-helixtrans-59.4-46.7174.8-73.3175.8000111.4V18 S24 G25 V26V18-L22 HydrophobicContact CG1-CD1 4.08Å; V18-L22 HydrophobicContact CG1-CG 4.39Å; V18-L22 WeakPolarHBondContact O-CB 3.5Å; V18-L22 VanDerWaalsContact O-CG 3.31Å; V18-L22 WeakPolarHBondContact O-CG 3.41Å; V18-L22 PolarHBondContact O-N 3.05Å; L22-S24 VanDerWaalsContact C-N 3.34Å; L22-S24 PolarHBondContact O-N 3.24Å; L22-G25 PolarHBondContact O-N 3.3Å; L22-V26 WeakPolarHBondContact O-CB 3.06Å; L22-V26 VanDerWaalsContact O-CG2 3.28Å; L22-V26 WeakPolarHBondContact O-CG2 3.34Å; L22-V26 PolarHBondContact O-N 3.01Å
23W77Confident71.2Confident165 Ų16576.1 Ų76.163%0.62540%0.395SS*.Hα-helixtrans-60.6-43.6176.7-175.9-87000111.4L19 L20 L21 V26 H27L19-W23 WeakPolarHBondContact O-CB 3.32Å; L19-W23 PolarHBondContact O-N 2.96Å; L20-W23 PolarHBondContact O-N 3.27Å; L21-W23 PolarHBondContact O-N 2.81Å; W23-V26 PolarHBondContact O-N 3.39Å; W23-H27 WeakPolarHBondContact O-CB 3.46Å; W23-H27 PolarHBondContact O-N 2.95Å
24S70.9Confident71.9Confident1 Ų175.5 Ų75.51%0.00740%0.4CS..Hα-helixtrans-67.9-36178.1680000112.7L20 L21 L22 H27 W28 I635L20-S24 VanDerWaalsContact O-CB 3.28Å; L20-S24 WeakPolarHBondContact O-CB 3.41Å; L20-S24 PolarHBondContact O-N 3.26Å; L20-S24 PolarHBondContact O-OG 3.29Å; L20-S24 VanDerWaalsContact O-OG 3.12Å; L21-S24 WeakPolarHBondContact CA-OG 3.14Å; L21-S24 PolarHBondContact O-N 3.43Å; L21-S24 PolarHBondContact O-OG 2.91Å; L22-S24 VanDerWaalsContact C-N 3.34Å; L22-S24 PolarHBondContact O-N 3.24Å; S24-H27 PolarHBondContact O-N 2.67Å; S24-W28 WeakPolarHBondContact O-CB 3.49Å; S24-W28 PolarHBondContact O-N 3.01Å; S24-I635 WeakPolarHBondContact OG-CD1 3.39Å
25G71.8Confident73.4Confident21 Ų2176.9 Ų76.922%0.21641%0.407CS..Hα-helixtrans-68-39.5172.600000112.5L21 L22 Y29L21-G25 PolarHBondContact O-N 3.29Å; L22-G25 PolarHBondContact O-N 3.3Å; G25-Y29 WeakPolarHBondContact O-CB 3.37Å; G25-Y29 PolarHBondContact O-N 3.03Å
26V77.4Confident74.1Confident86 Ų8675.2 Ų75.252%0.52140%0.395SS..Hα-helixtrans-64.9-48.5172.5170.70000110.3L22 W23 W28 Y29 T30L22-V26 WeakPolarHBondContact O-CB 3.06Å; L22-V26 VanDerWaalsContact O-CG2 3.28Å; L22-V26 WeakPolarHBondContact O-CG2 3.34Å; L22-V26 PolarHBondContact O-N 3.01Å; W23-V26 PolarHBondContact O-N 3.39Å; V26-W28 VanDerWaalsContact C-N 3.32Å; V26-W28 PolarHBondContact O-N 3.06Å; V26-Y29 CarbonylContact O-C 3.23Å; V26-Y29 WeakPolarHBondContact O-CA 3.49Å; V26-Y29 WeakPolarHBondContact O-CB 3.44Å; V26-Y29 PolarHBondContact O-N 3.13Å; V26-T30 HydrophobicContact CG1-CG2 4.13Å; V26-T30 WeakPolarHBondContact O-CG2 3.12Å; V26-T30 PolarHBondContact O-N 3.28Å; V26-T30 PolarHBondContact O-OG1 3.18Å; V26-T30 VanDerWaalsContact O-OG1 3.09Å
27H75.1Confident75.1Confident49 Ų4972.9 Ų72.923%0.22738%0.379CS..Hα-helixtrans-58.1-44.4177.7-175.2-76000111.2W23 S24 Y29 T30 D31 I628W23-H27 WeakPolarHBondContact O-CB 3.46Å; W23-H27 PolarHBondContact O-N 2.95Å; S24-H27 PolarHBondContact O-N 2.67Å; H27-Y29 VanDerWaalsContact C-N 3.3Å; H27-Y29 PolarHBondContact O-N 3.46Å; H27-T30 WeakPolarHBondContact CA-OG1 3.39Å; H27-T30 PolarHBondContact O-N 3.17Å; H27-T30 PolarHBondContact O-OG1 2.9Å; H27-T30 VanDerWaalsContact O-OG1 3.12Å; H27-D31 IonicContact CE1-OD2 3.67Å; H27-D31 PolarHBondContact CE1-OD2 2.86Å; H27-D31 IonicContact CG-OD2 2.86Å; H27-D31 IonicContact ND1-OD2 3.36Å; H27-D31 PolarHBondContact ND1-OD2 3.34Å; H27-D31 VanDerWaalsContact ND1-OD2 3.1Å; H27-D31 IonicContact NE2-OD2 2.65Å; H27-D31 PolarHBondContact NE2-OD2 3.49Å; H27-D31 WeakPolarHBondContact O-CB 3.47Å; H27-D31 VanDerWaalsContact O-CG 3.3Å; H27-D31 PolarHBondContact O-N 2.71Å; H27-I628 HydrophobicContact CB-CG2 4.08Å
28W69.6Low76.2Confident61 Ų6174.3 Ų74.323%0.23139%0.386CS..Hα-helixtrans-56.7-45.6171.5179.265.5000112.1S24 V26 R242 S632 R636S24-W28 WeakPolarHBondContact O-CB 3.49Å; S24-W28 PolarHBondContact O-N 3.01Å; V26-W28 VanDerWaalsContact C-N 3.32Å; V26-W28 PolarHBondContact O-N 3.06Å; W28-R242 HydrophobicContact CH2-CB 4.02Å; W28-R242 HydrophobicContact CH2-CG 4.02Å; W28-R242 HydrophobicContact CZ2-CB 4.02Å; W28-R242 HydrophobicContact CZ2-CG 3.71Å; W28-R242 PolarHBondContact O-NH2 3.38Å; W28-S632 WeakPolarHBondContact CB-OG 3.37Å; W28-S632 VanDerWaalsContact CD1-OG 3.29Å; W28-R636 HydrophobicContact CZ2-CB 4.31Å; W28-R636 HydrophobicContact CZ2-CG 3.71Å
29Y70.9Confident77.3Confident159 Ų15975.6 Ų75.662%0.62439%0.39SS*.Hα-helixtrans-68.6-36.6-177.9-172.5-95.4000112.2G25 V26 H27 R242G25-Y29 WeakPolarHBondContact O-CB 3.37Å; G25-Y29 PolarHBondContact O-N 3.03Å; V26-Y29 CarbonylContact O-C 3.23Å; V26-Y29 WeakPolarHBondContact O-CA 3.49Å; V26-Y29 WeakPolarHBondContact O-CB 3.44Å; V26-Y29 PolarHBondContact O-N 3.13Å; H27-Y29 VanDerWaalsContact C-N 3.3Å; H27-Y29 PolarHBondContact O-N 3.46Å; Y29-R242 PolarHBondContact O-NH1 3.06Å; Y29-R242 PolarHBondContact O-NH2 3.03Å
30T72.4Confident78Confident83 Ų8371.5 Ų71.551%0.50937%0.369SS..Hα-helixtrans-80.5-33.8-179.754.30000113.3V26 H27 S32V26-T30 HydrophobicContact CG1-CG2 4.13Å; V26-T30 WeakPolarHBondContact O-CG2 3.12Å; V26-T30 PolarHBondContact O-N 3.28Å; V26-T30 PolarHBondContact O-OG1 3.18Å; V26-T30 VanDerWaalsContact O-OG1 3.09Å; H27-T30 WeakPolarHBondContact CA-OG1 3.39Å; H27-T30 PolarHBondContact O-N 3.17Å; H27-T30 PolarHBondContact O-OG1 2.9Å; H27-T30 VanDerWaalsContact O-OG1 3.12Å; T30-S32 PolarHBondContact O-N 3.29Å
31D68.3Low78.9Confident105 Ų10576.8 Ų76.856%0.56138%0.383SS*.  trans-79.558.7-180-73.710.9000111.2H27H27-D31 IonicContact CE1-OD2 3.67Å; H27-D31 PolarHBondContact CE1-OD2 2.86Å; H27-D31 IonicContact CG-OD2 2.86Å; H27-D31 IonicContact ND1-OD2 3.36Å; H27-D31 PolarHBondContact ND1-OD2 3.34Å; H27-D31 VanDerWaalsContact ND1-OD2 3.1Å; H27-D31 IonicContact NE2-OD2 2.65Å; H27-D31 PolarHBondContact NE2-OD2 3.49Å; H27-D31 WeakPolarHBondContact O-CB 3.47Å; H27-D31 VanDerWaalsContact O-CG 3.3Å; H27-D31 PolarHBondContact O-N 2.71Å
32S67.8Low79.9Confident57 Ų5776.6 Ų76.640%0.39938%0.381SS..PPolyproline II helixtrans-96.7140.4166.262.10000110.4T30T30-S32 PolarHBondContact O-N 3.29Å
33E75.3Confident80.4Confident39 Ų3976.7 Ų76.718%0.18238%0.379CS..PPolyproline II helixtrans-53.3140.3164.3-168-171.8141.400109.9R36 S239 R240 S274 H576E33-R36 IonicContact OE1-CZ 2.75Å; E33-R36 IonicContact OE1-NE 3.36Å; E33-R36 PolarHBondContact OE1-NE 2.86Å; E33-R36 VanDerWaalsContact OE1-NE 3.1Å; E33-R36 IonicContact OE1-NH2 2.81Å; E33-R36 PolarHBondContact OE1-NH2 3.36Å; E33-S239 PolarHBondContact OE2-OG 3.41Å; E33-R240 HydrophobicContact CB-CG 4.24Å; E33-R240 WeakPolarHBondContact O-CD 3.47Å; E33-R240 PolarHBondContact O-NH1 3.05Å; E33-S274 PolarHBondContact OE1-OG 2.81Å; E33-S274 PolarHBondContact OE2-OG 2.85Å; E33-H576 IonicContact OE2-CD2 3.14Å; E33-H576 IonicContact OE2-CE1 3.82Å; E33-H576 IonicContact OE2-NE2 2.79Å; E33-H576 PolarHBondContact OE2-NE2 2.83Å
34S80.4Confident80.9Confident83 Ų8372.1 Ų72.158%0.5837%0.368SS*.PPolyproline II helixtrans-62140.8175.853.70000111.3R36S34-R36 PolarHBondContact O-N 2.93Å
35N85Confident81.8Confident60 Ų6080 Ų8032%0.32140%0.402SS..  trans-68115.6174.7-168.8-12.8000110.4C37 C279 W282N35-C37 VanDerWaalsContact OD1-CB 3.29Å; N35-C37 WeakPolarHBondContact OD1-CB 3.15Å; N35-C37 PolarHBondContact OD1-N 3.11Å; N35-C279 PolarHBondContact ND2-SG 2.98Å; N35-W282 VanDerWaalsContact ND2-CH2 3.34Å; N35-W282 WeakPolarHBondContact ND2-CH2 3.38Å
36R87.4Confident82.7Confident48 Ų4881.1 Ų81.118%0.18141%0.405CS..  trans-100.2-0.2178.4-65.3-177.5-78.6-179.3-0.3113.1E33 S34 W272 A273 Q285 Y577E33-R36 IonicContact OE1-CZ 2.75Å; E33-R36 IonicContact OE1-NE 3.36Å; E33-R36 PolarHBondContact OE1-NE 2.86Å; E33-R36 VanDerWaalsContact OE1-NE 3.1Å; E33-R36 IonicContact OE1-NH2 2.81Å; E33-R36 PolarHBondContact OE1-NH2 3.36Å; S34-R36 PolarHBondContact O-N 2.93Å; R36-W272 PolarHBondContact NH2-O 2.8Å; R36-A273 HydrophobicContact CB-CB 3.92Å; R36-Q285 PolarHBondContact O-NE2 3.2Å; R36-Y577 PolarHBondContact NH1-O 2.75Å; R36-Y577 PolarHBondContact NH1-OH 2.89Å; R36-Y577 PolarHBondContact NH2-O 2.98Å; R36-Y577 VanDerWaalsContact NH2-O 3.09Å
37C91.3Very high83.4Confident16 Ų1679.6 Ų79.611%0.10839%0.392CS..PPolyproline II helixtrans-73.4134.3177.2-78.60000111.6N35 C275 C279 W282 C283N35-C37 VanDerWaalsContact OD1-CB 3.29Å; N35-C37 WeakPolarHBondContact OD1-CB 3.15Å; N35-C37 PolarHBondContact OD1-N 3.11Å; C37-C275 PolarHBondContact SG-SG 2.85Å; C37-C279 VanDerWaalsContact CB-SG 3.54Å; C37-C279 VanDerWaalsContact SG-SG 3.7Å; C37-W282 HydrophobicContact CB-CZ3 4.1Å; C37-C283 HydrophobicContact CB-CB 3.65Å; C37-C283 WeakPolarHBondContact CB-SG 3.18Å; C37-C283 WeakPolarHBondContact SG-CB 3.48Å; C37-C283 CovalentContact SG-SG 2.05Å; C37-C283 PolarHBondContact SG-SG 3.06Å
38I92.6Very high84.3Confident90 Ų9079.6 Ų79.646%0.46239%0.391SS..PPolyproline II helixtrans-84.5131.7171.1-61.1168.9000107.1T40 L284I38-T40 PolarHBondContact O-N 3.46Å; I38-L284 HydrophobicContact CB-CB 4.22Å; I38-L284 HydrophobicContact CB-CD2 4.35Å; I38-L284 HydrophobicContact CG2-CB 4.39Å; I38-L284 HydrophobicContact CG2-CD2 3.86Å; I38-L284 WeakPolarHBondContact O-CB 3.44Å; I38-L284 PolarHBondContact O-N 3.42Å
39L93.5Very high85.4Confident108 Ų10879.4 Ų79.457%0.56539%0.394SS*.BIsolated β-bridgetrans-67.6127.8177.3-175.466.8000110.6W282L39-W282 HydrophobicContact CB-CE3 4.33Å; L39-W282 HydrophobicContact CB-CZ3 4.42Å; L39-W282 HydrophobicContact CD1-CB 4.05Å; L39-W282 HydrophobicContact CD1-CD2 3.56Å; L39-W282 HydrophobicContact CD1-CE3 3.38Å; L39-W282 HydrophobicContact CD1-CG 3.89Å; L39-W282 HydrophobicContact CD1-CZ3 4.02Å; L39-W282 HydrophobicContact CG-CE3 4.46Å
40T94.4Very high86.5Confident11 Ų1177.7 Ų77.77%0.06739%0.392CS..PPolyproline II helixtrans-57.5137.9170.549.70000111.4I38 S98 T102 W282 L284 M287I38-T40 PolarHBondContact O-N 3.46Å; T40-S98 WeakPolarHBondContact OG1-CB 3.05Å; T40-S98 PolarHBondContact OG1-OG 3.04Å; T40-T102 HydrophobicContact CG2-CG2 4.05Å; T40-W282 VanDerWaalsContact CG2-O 3.27Å; T40-W282 WeakPolarHBondContact CG2-O 3.29Å; T40-W282 PolarHBondContact N-O 3.42Å; T40-W282 VanDerWaalsContact N-O 3.11Å; T40-W282 PolarHBondContact OG1-O 3Å; T40-L284 HydrophobicContact CG2-CB 3.95Å; T40-L284 HydrophobicContact CG2-CD1 3.91Å; T40-M287 HydrophobicContact CG2-CB 4.26Å; T40-M287 HydrophobicContact CG2-CG 3.9Å
41R92.2Very high87.5Confident201 Ų20174.9 Ų74.976%0.75838%0.375SS*.  trans-104.1142.9169.2-60-175.4-174.5110.51109T101R41-T101 WeakPolarHBondContact O-CG2 3.4Å
42M91.1Very high88.6Confident58 Ų5876.5 Ų76.529%0.28638%0.383SS..  trans-75134.1170.9-55.3-64.798.500108.1D44 R97 T101M42-D44 WeakPolarHBondContact CB-O 3.48Å; M42-R97 HydrophobicContact CE-CB 4.31Å; M42-R97 HydrophobicContact CE-CG 3.85Å; M42-R97 HydrophobicContact SD-CB 3.66Å; M42-R97 HydrophobicContact SD-CG 3.61Å; M42-T101 HydrophobicContact CE-CG2 3.65Å; M42-T101 HydrophobicContact SD-CG2 4.37Å
43M85.3Confident89.8Confident109 Ų10974.9 Ų74.954%0.53737%0.371SS..SBendtrans-80.1-31.7179.5-66.3-67.3-73.100112T101 Q104M43-T101 PolarHBondContact N-OG1 2.8Å; M43-Q104 HydrophobicContact CG-CB 4.27Å
44D87.1Confident90.2Very high70 Ų7078.5 Ų78.537%0.37439%0.392SS..SBendtrans-141.9-178.2171.4-153.2-20.5000110.3M42 E70 G71M42-D44 WeakPolarHBondContact CB-O 3.48Å; D44-E70 HydrophobicContact CB-CB 4.13Å; D44-G71 VanDerWaalsContact OD2-CA 3.31Å; D44-G71 WeakPolarHBondContact OD2-CA 3.27Å
45F89.2Confident90Very high167 Ų16775.3 Ų75.373%0.73237%0.369SS*.  trans-65.2128.1177.2-69.3-80.6000111.4E47 E70 G71F45-E47 PolarHBondContact O-N 2.95Å; F45-E70 WeakPolarHBondContact O-CA 3.36Å; F45-G71 PolarHBondContact O-N 2.96Å; F45-G71 VanDerWaalsContact O-N 3.14Å
46P91.7Very high89.2Confident44 Ų4481.3 Ų81.329%0.28639%0.392SS..EExtended strand (participates in β ladder)trans-75.2124.3176.829.9-33.9000111.3Y48 Y68P46-Y48 HydrophobicContact CB-CE2 4.12Å; P46-Y68 HydrophobicContact CB-CE2 3.6Å
47E91.1Very high87.7Confident53 Ų5390.2 Ų90.225%0.24843%0.426CS..EExtended strand (participates in β ladder)trans-110143.7172.8-64.2-173.8167.900109.4F45 R69 R75F45-E47 PolarHBondContact O-N 2.95Å; E47-R69 HydrophobicContact CB-CB 4.41Å; E47-R69 PolarHBondContact N-O 2.75Å; E47-R69 PolarHBondContact O-N 2.64Å; E47-R75 IonicContact OE1-NH2 3.72Å; E47-R75 PolarHBondContact OE1-NH2 3.15Å; E47-R75 IonicContact OE2-NE 3.43Å; E47-R75 IonicContact OE2-NH2 3.71Å
48Y93.6Very high86.1Confident49 Ų4998.4 Ų98.419%0.19246%0.46CS..EExtended strand (participates in β ladder)trans-126.7101.4178.3-62.5-92.3000108.6P46 Q67 Y68 F93 K94 V96P46-Y48 HydrophobicContact CB-CE2 4.12Å; Y48-Q67 WeakPolarHBondContact CA-O 3.27Å; Y48-Y68 HydrophobicContact CD1-CD2 4.16Å; Y48-Y68 AromaticContact CE1-CD2 3.61Å; Y48-Y68 HydrophobicContact CE1-CD2 3.61Å; Y48-Y68 HydrophobicContact CE1-CE2 4.33Å; Y48-Y68 AromaticContact CZ-CD2 3.81Å; Y48-F93 AromaticContact CD1-CD2 3.82Å; Y48-F93 HydrophobicContact CD1-CD2 3.82Å; Y48-F93 AromaticContact CD1-CE2 3.56Å; Y48-F93 HydrophobicContact CD1-CE2 3.56Å; Y48-F93 HydrophobicContact CD2-CE2 4.46Å; Y48-F93 HydrophobicContact CE1-CD2 4.05Å; Y48-F93 HydrophobicContact CE1-CE2 4.05Å; Y48-F93 AromaticContact CG-CE2 3.79Å; Y48-F93 HydrophobicContact CG-CE2 3.79Å; Y48-K94 HydrophobicContact CE1-CB 4.31Å; Y48-K94 HydrophobicContact CE1-CG 4.16Å; Y48-K94 HydrophobicContact CE2-CB 4.45Å; Y48-K94 HydrophobicContact CE2-CG 4.03Å; Y48-K94 VanDerWaalsContact OH-CA 3.3Å; Y48-K94 WeakPolarHBondContact OH-CA 3.08Å; Y48-K94 WeakPolarHBondContact OH-CB 3.44Å; Y48-K94 PolarHBondContact OH-O 2.95Å; Y48-V96 HydrophobicContact CE1-CG1 4.26Å
49D92.4Very high84.9Confident57 Ų5796.1 Ų96.131%0.30545%0.451SS..EExtended strand (participates in β ladder)trans-86.7119.2-179.9-70.8-21.2000108.9Y66 Q67 R69D49-Y66 CarbonylContact O-C 3.56Å; D49-Y66 WeakPolarHBondContact O-CA 3.37Å; D49-Q67 HydrophobicContact CB-CB 4.5Å; D49-Q67 PolarHBondContact N-O 3.43Å; D49-Q67 PolarHBondContact O-N 2.68Å; D49-R69 VanDerWaalsContact OD2-CD 3.28Å; D49-R69 WeakPolarHBondContact OD2-CD 3.38Å; D49-R69 IonicContact OD2-CZ 2.68Å; D49-R69 VanDerWaalsContact OD2-CZ 3.23Å; D49-R69 IonicContact OD2-NE 3.54Å; D49-R69 PolarHBondContact OD2-NE 3.43Å; D49-R69 IonicContact OD2-NH1 3.52Å; D49-R69 PolarHBondContact OD2-NH1 2.79Å
50E93.8Very high84.1Confident124 Ų12494.5 Ų94.558%0.57944%0.438SS*.EExtended strand (participates in β ladder)trans-68.3133.9178.5-166.3174.1166.600111.1Y66E50-Y66 HydrophobicContact CB-CD1 4.04Å; E50-Y66 HydrophobicContact CB-CE1 3.72Å; E50-Y66 HydrophobicContact CG-CD1 4.44Å; E50-Y66 HydrophobicContact CG-CE1 3.96Å
51V93.7Very high83.3Confident24 Ų24102.4 Ų102.415%0.14548%0.479CS..  trans-112.8116.9178.1-177.30000108.3V53 L65 Q67 Y116 T145 T149V51-V53 PolarHBondContact O-N 2.95Å; V51-L65 HydrophobicContact CB-CB 4.45Å; V51-L65 HydrophobicContact CB-CD2 3.89Å; V51-L65 HydrophobicContact CB-CG 4.03Å; V51-L65 HydrophobicContact CG1-CD2 3.93Å; V51-L65 PolarHBondContact N-O 3.32Å; V51-Q67 HydrophobicContact CG2-CB 4.07Å; V51-Y116 HydrophobicContact CG2-CD1 4.37Å; V51-Y116 HydrophobicContact CG2-CE1 4.09Å; V51-T145 HydrophobicContact CG1-CG2 3.81Å; V51-T149 HydrophobicContact CG1-CG2 4.23Å
52N92.1Very high83.1Confident139 Ų13994.8 Ų94.874%0.74346%0.462SS*.  trans-67.3114.4-177.9-69.4-30.6000111.4T145N52-T145 VanDerWaalsContact O-CG2 3.27Å; N52-T145 WeakPolarHBondContact O-CG2 3.18Å
53V92.1Very high83.3Confident22 Ų2292.8 Ų92.813%0.13345%0.452CS..  trans-90.2123176.21800000110V51 C55 L65 F138 K141 T145V51-V53 PolarHBondContact O-N 2.95Å; V53-C55 PolarHBondContact O-N 2.9Å; V53-L65 HydrophobicContact CG2-CB 3.57Å; V53-L65 HydrophobicContact CG2-CD2 3.76Å; V53-L65 HydrophobicContact CG2-CG 4.33Å; V53-F138 HydrophobicContact CB-CE2 4.48Å; V53-F138 HydrophobicContact CG1-CE2 4.47Å; V53-F138 HydrophobicContact CG2-CZ 4.12Å; V53-K141 HydrophobicContact CG1-CB 3.63Å; V53-T145 HydrophobicContact CG2-CG2 4.32Å
54D85.4Confident83.8Confident116 Ų11688.1 Ų88.162%0.6243%0.431SS*.  trans-75.593.5175.5-178.618.8000111.2
55C75.5Confident84.2Confident15 Ų1584.9 Ų84.910%0.10141%0.413CS..  trans-97.689.8169-58.90000110.2V53 R57 K58 C59 K141V53-C55 PolarHBondContact O-N 2.9Å; C55-R57 PolarHBondContact O-N 2.76Å; C55-K58 PolarHBondContact O-N 3Å; C55-C59 HydrophobicContact CB-CB 3.82Å; C55-C59 WeakPolarHBondContact CB-SG 3.25Å; C55-C59 WeakPolarHBondContact SG-CA 3.43Å; C55-C59 WeakPolarHBondContact SG-CB 3.29Å; C55-C59 CovalentContact SG-SG 2.03Å; C55-C59 PolarHBondContact SG-SG 3.18Å; C55-K141 HydrophobicContact CB-CD 4.14Å; C55-K141 VanDerWaalsContact SG-CD 3.59Å
56K67.5Low84.6Confident186 Ų18678.8 Ų78.881%0.80939%0.386SS*.THydrogen-bonded Turntrans-42.8-16.3175.9-64.5179.5-179.8174.50117
57R56Low84.7Confident236 Ų23677.4 Ų77.489%0.89138%0.376SS*.THydrogen-bonded Turntrans-129.429.5-179.1-68.9-173.4175.6171.1-1.1115.3C55C55-R57 PolarHBondContact O-N 2.76Å
58K59.1Low84.8Confident188 Ų18875.7 Ų75.782%0.81737%0.367SS*.  trans72.4123.7-168-59.7177.1175.51780111.3C55C55-K58 PolarHBondContact O-N 3Å
59C66.3Low84.5Confident41 Ų4175.7 Ų75.728%0.27737%0.367SS..PPolyproline II helixtrans-60.2153.8163.3-580000108C55 L61 F138C55-C59 HydrophobicContact CB-CB 3.82Å; C55-C59 WeakPolarHBondContact CB-SG 3.25Å; C55-C59 WeakPolarHBondContact SG-CA 3.43Å; C55-C59 WeakPolarHBondContact SG-CB 3.29Å; C55-C59 CovalentContact SG-SG 2.03Å; C55-C59 PolarHBondContact SG-SG 3.18Å; C59-L61 PolarHBondContact O-N 3.42Å; C59-F138 HydrophobicContact CB-CD2 4.24Å; C59-F138 HydrophobicContact CB-CE2 4.05Å
60Y77.6Confident84.2Confident75 Ų7573.4 Ų73.429%0.29435%0.354SS..PPolyproline II helixtrans-56130.8170-61.8-74.4000108.5G62 Y63 R134 D137Y60-G62 PolarHBondContact O-N 3.33Å; Y60-Y63 HydrophobicContact CD2-CD2 4.09Å; Y60-Y63 AromaticContact CD2-CE2 3.96Å; Y60-Y63 HydrophobicContact CD2-CE2 3.96Å; Y60-Y63 HydrophobicContact CG-CD2 4.39Å; Y60-Y63 HydrophobicContact CG-CE2 4.24Å; Y60-Y63 PolarHBondContact O-N 3.28Å; Y60-Y63 VanDerWaalsContact O-N 3.11Å; Y60-R134 HydrophobicContact CD1-CB 4.29Å; Y60-R134 HydrophobicContact CD1-CG 4.23Å; Y60-R134 HydrophobicContact CD2-CB 4.02Å; Y60-R134 HydrophobicContact CE1-CB 3.96Å; Y60-R134 VanDerWaalsContact CE1-CD 3.5Å; Y60-R134 HydrophobicContact CE1-CG 3.59Å; Y60-R134 HydrophobicContact CE2-CB 3.66Å; Y60-R134 HydrophobicContact CE2-CG 4.14Å; Y60-R134 WeakPolarHBondContact CE2-O 3.3Å; Y60-R134 HydrophobicContact CG-CB 4.32Å; Y60-D137 HydrophobicContact CE2-CB 4.03Å; Y60-D137 PolarHBondContact OH-OD2 3.12Å
61L77.3Confident83.3Confident177 Ų17767.7 Ų67.793%0.92733%0.329SS*.THydrogen-bonded Turntrans-59125.6-173.9-170.777.6000109.5C59C59-L61 PolarHBondContact O-N 3.42Å
62G87.1Confident81.9Confident40 Ų4070.7 Ų70.741%0.41235%0.351SS..THydrogen-bonded Turntrans93.7-7.4179.500000115Y60Y60-G62 PolarHBondContact O-N 3.33Å
63Y95Very high80.1Confident16 Ų1674.8 Ų74.86%0.06336%0.356CS..  trans-83.5137.7171.8-68.64.9000110.9Y60 D119 F120 E123 Q135 F138Y60-Y63 HydrophobicContact CD2-CD2 4.09Å; Y60-Y63 AromaticContact CD2-CE2 3.96Å; Y60-Y63 HydrophobicContact CD2-CE2 3.96Å; Y60-Y63 HydrophobicContact CG-CD2 4.39Å; Y60-Y63 HydrophobicContact CG-CE2 4.24Å; Y60-Y63 PolarHBondContact O-N 3.28Å; Y60-Y63 VanDerWaalsContact O-N 3.11Å; Y63-D119 VanDerWaalsContact CA-O 3.22Å; Y63-D119 WeakPolarHBondContact CA-O 3.47Å; Y63-F120 HydrophobicContact CD1-CB 4.37Å; Y63-F120 HydrophobicContact CD1-CD1 4.32Å; Y63-F120 AromaticContact CD2-CD1 3.93Å; Y63-F120 HydrophobicContact CD2-CD1 3.93Å; Y63-F120 HydrophobicContact CD2-CE1 4.42Å; Y63-F120 HydrophobicContact CE1-CB 4.02Å; Y63-F120 HydrophobicContact CE1-CD1 4.24Å; Y63-F120 WeakPolarHBondContact CE1-O 3.5Å; Y63-F120 AromaticContact CE2-CD1 3.84Å; Y63-F120 HydrophobicContact CE2-CD1 3.84Å; Y63-F120 HydrophobicContact CE2-CE1 4.36Å; Y63-F120 HydrophobicContact CG-CD1 4.18Å; Y63-E123 PolarHBondContact OH-OE2 3.36Å; Y63-Q135 HydrophobicContact CE2-CG 4.11Å; Y63-Q135 WeakPolarHBondContact OH-CG 3.47Å; Y63-F138 HydrophobicContact CD2-CB 3.71Å; Y63-F138 HydrophobicContact CD2-CD1 4.28Å; Y63-F138 AromaticContact CD2-CD2 4Å; Y63-F138 HydrophobicContact CD2-CD2 4Å; Y63-F138 AromaticContact CD2-CG 3.72Å; Y63-F138 HydrophobicContact CD2-CG 3.72Å; Y63-F138 HydrophobicContact CE2-CB 4.26Å; Y63-F138 HydrophobicContact CG-CD2 4.44Å; Y63-F138 HydrophobicContact CG-CG 4.4Å
64A95.6Very high78.5Confident12 Ų1278.2 Ų78.210%0.09937%0.369CS..EExtended strand (participates in β ladder)trans-143.4159-179.400000111.3Y66 D119A64-Y66 HydrophobicContact CB-CD2 4.38Å; A64-Y66 HydrophobicContact CB-CE2 3.63Å; A64-D119 HydrophobicContact CB-CB 4.24Å; A64-D119 PolarHBondContact N-O 3.32Å; A64-D119 VanDerWaalsContact N-O 3.11Å; A64-D119 PolarHBondContact O-N 2.92Å
65L97.1Very high77.1Confident1 Ų179.7 Ų79.71%0.00537%0.366CS..EExtended strand (participates in β ladder)trans-115.6129.617417566000108.4V51 V53 L84 V118 A142 T145 I146V51-L65 HydrophobicContact CB-CB 4.45Å; V51-L65 HydrophobicContact CB-CD2 3.89Å; V51-L65 HydrophobicContact CB-CG 4.03Å; V51-L65 HydrophobicContact CG1-CD2 3.93Å; V51-L65 PolarHBondContact N-O 3.32Å; V53-L65 HydrophobicContact CG2-CB 3.57Å; V53-L65 HydrophobicContact CG2-CD2 3.76Å; V53-L65 HydrophobicContact CG2-CG 4.33Å; L65-L84 HydrophobicContact CD1-CD1 3.97Å; L65-V118 HydrophobicContact CD1-CG2 4.25Å; L65-A142 HydrophobicContact CD1-CB 4.25Å; L65-A142 HydrophobicContact CD2-CB 4.18Å; L65-T145 HydrophobicContact CD2-CG2 4.42Å; L65-I146 HydrophobicContact CD1-CD1 4.14Å; L65-I146 HydrophobicContact CD2-CD1 4.21Å; L65-I146 HydrophobicContact CD2-CG1 3.79Å
66Y96.5Very high76.1Confident40 Ų4084.1 Ų84.116%0.15740%0.397CS..EExtended strand (participates in β ladder)trans-120.4138.8178.5-67-76.9000111D49 E50 A64 F93 Y116 S117 D119D49-Y66 CarbonylContact O-C 3.56Å; D49-Y66 WeakPolarHBondContact O-CA 3.37Å; E50-Y66 HydrophobicContact CB-CD1 4.04Å; E50-Y66 HydrophobicContact CB-CE1 3.72Å; E50-Y66 HydrophobicContact CG-CD1 4.44Å; E50-Y66 HydrophobicContact CG-CE1 3.96Å; A64-Y66 HydrophobicContact CB-CD2 4.38Å; A64-Y66 HydrophobicContact CB-CE2 3.63Å; Y66-F93 HydrophobicContact CD1-CE2 4.43Å; Y66-F93 HydrophobicContact CD2-CD1 4.44Å; Y66-F93 AromaticContact CD2-CD2 3.5Å; Y66-F93 HydrophobicContact CD2-CD2 3.5Å; Y66-F93 HydrophobicContact CD2-CE1 4.35Å; Y66-F93 AromaticContact CD2-CE2 3.4Å; Y66-F93 HydrophobicContact CD2-CE2 3.4Å; Y66-F93 VanDerWaalsContact CD2-CE2 3.4Å; Y66-F93 HydrophobicContact CD2-CG 4.03Å; Y66-F93 AromaticContact CD2-CZ 3.85Å; Y66-F93 HydrophobicContact CD2-CZ 3.85Å; Y66-F93 HydrophobicContact CE2-CD1 4.36Å; Y66-F93 HydrophobicContact CE2-CD2 4.12Å; Y66-F93 AromaticContact CE2-CE1 3.98Å; Y66-F93 HydrophobicContact CE2-CE1 3.98Å; Y66-F93 AromaticContact CE2-CE2 3.72Å; Y66-F93 HydrophobicContact CE2-CE2 3.72Å; Y66-F93 HydrophobicContact CE2-CG 4.41Å; Y66-F93 AromaticContact CE2-CZ 3.63Å; Y66-F93 HydrophobicContact CE2-CZ 3.63Å; Y66-F93 HydrophobicContact CG-CD2 4.07Å; Y66-F93 AromaticContact CG-CE2 3.8Å; Y66-F93 HydrophobicContact CG-CE2 3.8Å; Y66-F93 HydrophobicContact CG-CZ 4.48Å; Y66-Y116 CarbonylContact O-C 3.49Å; Y66-Y116 VanDerWaalsContact O-CA 3.23Å; Y66-Y116 WeakPolarHBondContact O-CA 3.32Å; Y66-S117 PolarHBondContact N-O 2.88Å; Y66-S117 PolarHBondContact O-N 3.42Å; Y66-D119 HydrophobicContact CD2-CB 4.2Å; Y66-D119 HydrophobicContact CE2-CB 3.85Å
67Q94.4Very high76.1Confident15 Ų1582.9 Ų82.97%0.0739%0.387CS..EExtended strand (participates in β ladder)trans-90.2125.9161-171.8178.71900108.8Y48 D49 V51 Y116Y48-Q67 WeakPolarHBondContact CA-O 3.27Å; D49-Q67 HydrophobicContact CB-CB 4.5Å; D49-Q67 PolarHBondContact N-O 3.43Å; D49-Q67 PolarHBondContact O-N 2.68Å; V51-Q67 HydrophobicContact CG2-CB 4.07Å; Q67-Y116 HydrophobicContact CB-CD1 3.87Å; Q67-Y116 HydrophobicContact CB-CE1 3.72Å; Q67-Y116 HydrophobicContact CG-CD1 4.17Å; Q67-Y116 HydrophobicContact CG-CE1 3.82Å
68Y92.9Very high76.6Confident16 Ų1673.2 Ų73.26%0.06335%0.353CS..EExtended strand (participates in β ladder)trans-84135.9175.8175.3-92000111.2P46 Y48 E70 V96 R97 A100 Y115P46-Y68 HydrophobicContact CB-CE2 3.6Å; Y48-Y68 HydrophobicContact CD1-CD2 4.16Å; Y48-Y68 AromaticContact CE1-CD2 3.61Å; Y48-Y68 HydrophobicContact CE1-CD2 3.61Å; Y48-Y68 HydrophobicContact CE1-CE2 4.33Å; Y48-Y68 AromaticContact CZ-CD2 3.81Å; Y68-E70 HydrophobicContact CE1-CG 3.73Å; Y68-E70 VanDerWaalsContact OH-CD 3.25Å; Y68-E70 WeakPolarHBondContact OH-CG 3.28Å; Y68-E70 PolarHBondContact OH-OE1 3.35Å; Y68-V96 HydrophobicContact CD2-CG1 4.26Å; Y68-V96 HydrophobicContact CG-CG1 4.31Å; Y68-R97 HydrophobicContact CD2-CB 4.28Å; Y68-R97 HydrophobicContact CE2-CB 3.43Å; Y68-R97 VanDerWaalsContact CE2-CB 3.43Å; Y68-A100 HydrophobicContact CD1-CB 3.19Å; Y68-A100 HydrophobicContact CE1-CB 3.21Å; Y68-A100 HydrophobicContact CG-CB 4.03Å; Y68-Y115 PolarHBondContact N-O 2.92Å
69R87.8Confident77.3Confident50 Ų5066.5 Ų66.519%0.18932%0.323CS..EExtended strand (participates in β ladder)trans-140.4160.5175.3-62.6-175.5179.2174.1-6.7110.7E47 D49 R75E47-R69 HydrophobicContact CB-CB 4.41Å; E47-R69 PolarHBondContact N-O 2.75Å; E47-R69 PolarHBondContact O-N 2.64Å; D49-R69 VanDerWaalsContact OD2-CD 3.28Å; D49-R69 WeakPolarHBondContact OD2-CD 3.38Å; D49-R69 IonicContact OD2-CZ 2.68Å; D49-R69 VanDerWaalsContact OD2-CZ 3.23Å; D49-R69 IonicContact OD2-NE 3.54Å; D49-R69 PolarHBondContact OD2-NE 3.43Å; D49-R69 IonicContact OD2-NH1 3.52Å; D49-R69 PolarHBondContact OD2-NH1 2.79Å; R69-R75 PolarHBondContact NH1-O 3.42Å; R69-R75 VanDerWaalsContact NH1-O 3.11Å
70E84.9Confident78Confident8 Ų866.5 Ų66.54%0.03732%0.32CS..EExtended strand (participates in β ladder)trans-127.6125.1173-79.3-162.7161.600110.2D44 F45 Y68 F74 T101 Q104D44-E70 HydrophobicContact CB-CB 4.13Å; F45-E70 WeakPolarHBondContact O-CA 3.36Å; Y68-E70 HydrophobicContact CE1-CG 3.73Å; Y68-E70 VanDerWaalsContact OH-CD 3.25Å; Y68-E70 WeakPolarHBondContact OH-CG 3.28Å; Y68-E70 PolarHBondContact OH-OE1 3.35Å; E70-F74 WeakPolarHBondContact O-CD2 3.12Å; E70-T101 VanDerWaalsContact CD-OG1 3.24Å; E70-T101 WeakPolarHBondContact OE1-CB 3.41Å; E70-T101 PolarHBondContact OE1-OG1 3.4Å; E70-T101 PolarHBondContact OE2-OG1 3.38Å; E70-T101 VanDerWaalsContact OE2-OG1 3.12Å; E70-Q104 PolarHBondContact OE2-NE2 2.82Å
71G76Confident78.5Confident5 Ų564 Ų645%0.05231%0.314CS..SBendtrans68.2159175.900000115.7D44 F45 R73D44-G71 VanDerWaalsContact OD2-CA 3.31Å; D44-G71 WeakPolarHBondContact OD2-CA 3.27Å; F45-G71 PolarHBondContact O-N 2.96Å; F45-G71 VanDerWaalsContact O-N 3.14Å; G71-R73 PolarHBondContact O-N 3.31Å
72S63.2Low79.3Confident86 Ų8655.8 Ų55.860%0.60127%0.271SS*.G310 helixtrans-70.7-14.7-178.759.20000114.3F74S72-F74 VanDerWaalsContact C-N 3.34Å; S72-F74 PolarHBondContact O-N 3.32Å
73R55.7Low79.7Confident225 Ų22553.9 Ų53.985%0.84925%0.252SS*.G310 helixtrans-71.9-21.5-174.5-73.9-176.5176.8168.80.6114.3G71G71-R73 PolarHBondContact O-N 3.31Å
74F58.3Low79.8Confident94 Ų9453.1 Ų53.141%0.41225%0.249SC..G310 helixtrans-107.49.8-172.2-62.7-75.9000114.6E70 S72 S76 R77E70-F74 WeakPolarHBondContact O-CD2 3.12Å; S72-F74 VanDerWaalsContact C-N 3.34Å; S72-F74 PolarHBondContact O-N 3.32Å; F74-S76 PolarHBondContact O-N 3.06Å; F74-R77 PolarHBondContact O-N 3.19Å
75R54.4Low80Confident147 Ų14752.8 Ų52.856%0.55525%0.245SC*.THydrogen-bonded Turntrans-56-21.7-172.2-76.2-174.3174.5-176.50.8116.5E47 R69E47-R75 IonicContact OE1-NH2 3.72Å; E47-R75 PolarHBondContact OE1-NH2 3.15Å; E47-R75 IonicContact OE2-NE 3.43Å; E47-R75 IonicContact OE2-NH2 3.71Å; R69-R75 PolarHBondContact NH1-O 3.42Å; R69-R75 VanDerWaalsContact NH1-O 3.11Å
76S56.4Low80Confident109 Ų10952.7 Ų52.776%0.76224%0.244SC*.THydrogen-bonded Turntrans-112.3-7.5-172.362.90000116F74F74-S76 PolarHBondContact O-N 3.06Å
77R65.6Low80Confident159 Ų15950.9 Ų50.960%0.624%0.237SC*.  trans-107.793.5-170.7-160.9170.4-176.9174.5-0.4111.4F74 Y79F74-R77 PolarHBondContact O-N 3.19Å; R77-Y79 HydrophobicContact CB-CE1 4.42Å; R77-Y79 HydrophobicContact CB-CE2 4.41Å; R77-Y79 HydrophobicContact CG-CD1 4.18Å; R77-Y79 HydrophobicContact CG-CE1 3.68Å; R77-Y79 HydrophobicContact CG-CE2 4.43Å; R77-Y79 VanDerWaalsContact O-CD2 3.29Å; R77-Y79 WeakPolarHBondContact O-CD2 3.23Å; R77-Y79 WeakPolarHBondContact O-CE2 3.39Å
78L67.3Low80Confident33 Ų3350.4 Ų50.417%0.17324%0.236CC..  trans-73.7135.1158.7-58.5172.2000108.9Y150 R153L78-Y150 HydrophobicContact CB-CE1 3.89Å; L78-Y150 HydrophobicContact CD1-CD1 4.48Å; L78-Y150 HydrophobicContact CD1-CE1 4.17Å; L78-Y150 HydrophobicContact CG-CE1 4.43Å; L78-R153 PolarHBondContact O-NH1 3.33Å
79Y74.2Confident80.1Confident48 Ų4851.2 Ų51.219%0.18825%0.245CC..  trans-1014.1-173.9-63.2-81.7000113.9R77 S81 S112 D114R77-Y79 HydrophobicContact CB-CE1 4.42Å; R77-Y79 HydrophobicContact CB-CE2 4.41Å; R77-Y79 HydrophobicContact CG-CD1 4.18Å; R77-Y79 HydrophobicContact CG-CE1 3.68Å; R77-Y79 HydrophobicContact CG-CE2 4.43Å; R77-Y79 VanDerWaalsContact O-CD2 3.29Å; R77-Y79 WeakPolarHBondContact O-CD2 3.23Å; R77-Y79 WeakPolarHBondContact O-CE2 3.39Å; Y79-S81 VanDerWaalsContact C-N 3.31Å; Y79-S81 PolarHBondContact O-N 3.03Å; Y79-S112 WeakPolarHBondContact CB-O 3.47Å; Y79-S112 WeakPolarHBondContact CD1-OG 3.29Å; Y79-S112 WeakPolarHBondContact CD2-OG 3.26Å; Y79-S112 WeakPolarHBondContact CE1-OG 3.22Å; Y79-S112 VanDerWaalsContact CE2-CB 3.49Å; Y79-S112 WeakPolarHBondContact CE2-OG 3.41Å; Y79-S112 VanDerWaalsContact CG-CB 3.48Å; Y79-S112 PolarHBondContact OH-OG 3.35Å; Y79-D114 PolarHBondContact N-OD1 2.78Å; Y79-D114 PolarHBondContact N-OD2 2.81Å
80N80.9Confident80.3Confident40 Ų4054.8 Ų54.821%0.21426%0.264CS..SBendtrans6233178.4-65.4-2.9000113.2D114 Y150 N155N80-D114 PolarHBondContact N-OD2 3.04Å; N80-D114 VanDerWaalsContact N-OD2 3.11Å; N80-Y150 WeakPolarHBondContact OD1-CD1 2.97Å; N80-N155 PolarHBondContact ND2-O 2.91Å
81S88.7Confident80.7Confident23 Ų2355.2 Ų55.216%0.16127%0.27CS..  trans-139.576.6178.2-71.60000110Y79 D114 N298Y79-S81 VanDerWaalsContact C-N 3.31Å; Y79-S81 PolarHBondContact O-N 3.03Å; S81-D114 PolarHBondContact O-N 3.04Å; S81-N298 VanDerWaalsContact CB-ND2 3.26Å; S81-N298 WeakPolarHBondContact CB-ND2 3.31Å; S81-N298 PolarHBondContact OG-ND2 3.23Å; S81-N298 VanDerWaalsContact OG-ND2 3.14Å
82P93.8Very high81.7Confident4 Ų456.3 Ų56.33%0.02628%0.277CS..EExtended strand (participates in β ladder)trans-73135.1-173.929-33.5000111.5D114 Y116 I146 L147 Y150 P157 I160 V161P82-D114 WeakPolarHBondContact CA-O 3.38Å; P82-Y116 HydrophobicContact CB-CD2 4.41Å; P82-Y116 HydrophobicContact CB-CE2 4.13Å; P82-I146 HydrophobicContact CB-CG2 3.58Å; P82-I146 HydrophobicContact CG-CG2 4.37Å; P82-L147 HydrophobicContact CG-CD2 4.21Å; P82-Y150 HydrophobicContact CB-CE2 4.12Å; P82-Y150 HydrophobicContact CG-CE2 4.39Å; P82-P157 HydrophobicContact CG-CB 4.18Å; P82-P157 HydrophobicContact CG-CG 4Å; P82-I160 HydrophobicContact CB-CD1 4.19Å; P82-I160 HydrophobicContact CB-CG1 4.04Å; P82-I160 HydrophobicContact CG-CB 4.32Å; P82-I160 HydrophobicContact CG-CG1 4.13Å; P82-I160 WeakPolarHBondContact O-CG1 3.44Å; P82-V161 PolarHBondContact O-N 2.96Å
83V95.4Very high83.2Confident1 Ų153 Ų531%0.00625%0.252CS..EExtended strand (participates in β ladder)trans-126123.2172.8-176.10000108.3L113 D114 Y115 Y116 V161 I163V83-L113 HydrophobicContact CG2-CB 3.94Å; V83-L113 HydrophobicContact CG2-CD1 4.27Å; V83-L113 HydrophobicContact CG2-CD2 4.08Å; V83-L113 HydrophobicContact CG2-CG 4.33Å; V83-D114 PolarHBondContact N-O 3.01Å; V83-Y115 HydrophobicContact CB-CD1 3.76Å; V83-Y115 HydrophobicContact CB-CE1 3.74Å; V83-Y115 HydrophobicContact CG1-CD1 3.81Å; V83-Y115 HydrophobicContact CG1-CE1 3.49Å; V83-Y115 VanDerWaalsContact CG1-CE1 3.49Å; V83-Y115 HydrophobicContact CG2-CE1 4.25Å; V83-Y116 PolarHBondContact O-N 3.24Å; V83-V161 CarbonylContact C-O 3.58Å; V83-V161 WeakPolarHBondContact CA-O 2.91Å; V83-V161 HydrophobicContact CG1-CB 4.23Å; V83-V161 HydrophobicContact CG1-CG1 4.31Å; V83-V161 HydrophobicContact CG2-CB 4.17Å; V83-I163 HydrophobicContact CG1-CD1 3.54Å; V83-I163 HydrophobicContact CG1-CG1 3.81Å
84L97.5Very high85.1Confident0 Ų047.2 Ų47.20%023%0.232CC..EExtended strand (participates in β ladder)trans-104.3117.6178-178.859.7000110.4L65 I86 V118 V139 I143 I146 I160 V161 L162 I163L65-L84 HydrophobicContact CD1-CD1 3.97Å; L84-I86 HydrophobicContact CD2-CD1 4.44Å; L84-I86 HydrophobicContact CG-CG1 4.23Å; L84-V118 HydrophobicContact CD1-CG2 3.74Å; L84-V118 HydrophobicContact CG-CG2 4.42Å; L84-V139 HydrophobicContact CD2-CG1 4.22Å; L84-I143 HydrophobicContact CD2-CG1 3.81Å; L84-I146 HydrophobicContact CB-CD1 4.27Å; L84-I146 HydrophobicContact CD1-CD1 3.76Å; L84-I146 HydrophobicContact CD2-CD1 4.13Å; L84-I146 HydrophobicContact CG-CD1 4.28Å; L84-I160 HydrophobicContact CB-CD1 3.77Å; L84-I160 HydrophobicContact CB-CG1 4.36Å; L84-V161 PolarHBondContact N-O 3.5Å; L84-L162 HydrophobicContact CB-CD2 3.79Å; L84-L162 HydrophobicContact CD2-CD2 4.02Å; L84-L162 HydrophobicContact CG-CD2 4.35Å; L84-I163 PolarHBondContact O-N 3.45Å
85F98.2Very high86.9Confident4 Ų444.6 Ų44.62%0.01822%0.224CC..EExtended strand (participates in β ladder)trans-92.6130.5172.9-178.2-97.2000111.1T95 V96 Y116 S117 V118 I163 H165 L281F85-T95 VanDerWaalsContact CE1-OG1 3.3Å; F85-T95 WeakPolarHBondContact CE1-OG1 3.3Å; F85-V96 HydrophobicContact CB-CB 4.1Å; F85-V96 HydrophobicContact CB-CG2 3.55Å; F85-V96 HydrophobicContact CD1-CB 3.87Å; F85-V96 HydrophobicContact CD1-CG2 4.24Å; F85-V96 HydrophobicContact CG-CB 4.01Å; F85-V96 HydrophobicContact CG-CG2 3.86Å; F85-Y116 PolarHBondContact N-O 3.27Å; F85-S117 WeakPolarHBondContact O-CA 3.48Å; F85-V118 PolarHBondContact O-N 2.76Å; F85-I163 CarbonylContact C-O 3.5Å; F85-I163 WeakPolarHBondContact CA-O 3.49Å; F85-I163 HydrophobicContact CD2-CB 4.07Å; F85-I163 HydrophobicContact CD2-CG2 3.82Å; F85-I163 HydrophobicContact CE2-CG2 4.18Å; F85-H165 HydrophobicContact CE2-CB 4.26Å; F85-H165 HydrophobicContact CZ-CB 3.99Å; F85-L281 HydrophobicContact CE2-CD2 4.05Å; F85-L281 HydrophobicContact CZ-CD2 3.79Å
86I98.2Very high88.8Confident0 Ų037.7 Ų37.70%020%0.198CC..EExtended strand (participates in β ladder)trans-120.5112.1-178.6-61.3165.7000107.3L84 F120 V139 I163 G164 H165 V171 I172L84-I86 HydrophobicContact CD2-CD1 4.44Å; L84-I86 HydrophobicContact CG-CG1 4.23Å; I86-F120 HydrophobicContact CG2-CE2 3.69Å; I86-F120 HydrophobicContact CG2-CZ 4.04Å; I86-V139 HydrophobicContact CD1-CB 4.5Å; I86-V139 HydrophobicContact CD1-CG1 3.67Å; I86-V139 HydrophobicContact CD1-CG2 3.95Å; I86-V139 HydrophobicContact CG1-CG2 4.2Å; I86-I163 PolarHBondContact N-O 2.92Å; I86-G164 WeakPolarHBondContact O-CA 3.37Å; I86-H165 PolarHBondContact O-N 2.79Å; I86-V171 HydrophobicContact CG2-CB 4.26Å; I86-V171 HydrophobicContact CG2-CG1 4.3Å; I86-I172 HydrophobicContact CD1-CD1 3.91Å; I86-I172 HydrophobicContact CD1-CG1 3.39Å
87T96.5Very high90.7Very high1 Ų137.8 Ų37.81%0.00618%0.182CC..  trans-73.8160.6-175.9-167.20000112.3G91 F120 G168T87-G91 VanDerWaalsContact CG2-O 3.23Å; T87-G91 WeakPolarHBondContact CG2-O 3.36Å; T87-G91 VanDerWaalsContact OG1-C 3.24Å; T87-G91 VanDerWaalsContact OG1-CA 3.28Å; T87-G91 WeakPolarHBondContact OG1-CA 3.25Å; T87-G91 PolarHBondContact OG1-O 3.43Å; T87-F120 HydrophobicContact CG2-CD2 3.97Å; T87-G168 WeakPolarHBondContact O-CA 3.04Å
88G94.7Very high92.1Very high5 Ų530.6 Ų30.65%0.05216%0.156CC..  trans-80.1-173.8175.800000114.2Q90 G91 H165G88-Q90 PolarHBondContact O-N 3.41Å; G88-G91 PolarHBondContact O-N 3.39Å; G88-H165 VanDerWaalsContact CA-O 3.25Å; G88-H165 WeakPolarHBondContact CA-O 3.39Å; G88-H165 PolarHBondContact N-O 2.92Å
89S93.7Very high93.4Very high34 Ų3429.3 Ų29.324%0.23815%0.15CC..THydrogen-bonded Turntrans-56.3131.8174.9177.80000111.7G91 P124 S125 A126S89-G91 PolarHBondContact O-N 3.33Å; S89-P124 WeakPolarHBondContact OG-CA 3.41Å; S89-S125 WeakPolarHBondContact CA-OG 3.28Å; S89-S125 PolarHBondContact OG-N 3.04Å; S89-A126 PolarHBondContact OG-N 3.48Å
90Q93.4Very high94.3Very high125 Ų12527.4 Ų27.458%0.58414%0.144SC*.THydrogen-bonded Turntrans5221.7-174.6-57.4179.5-8.700114.1G88 E122 E123 P124G88-Q90 PolarHBondContact O-N 3.41Å; Q90-E122 WeakPolarHBondContact CA-O 3.2Å; Q90-E122 WeakPolarHBondContact CG-O 3.48Å; Q90-E123 PolarHBondContact N-O 3.46Å; Q90-P124 HydrophobicContact CG-CB 4.13Å
91G93Very high94.9Very high16 Ų1625.6 Ų25.617%0.16513%0.134CC..  trans-88.2137.1-176.200000111.5T87 G88 S89T87-G91 VanDerWaalsContact CG2-O 3.23Å; T87-G91 WeakPolarHBondContact CG2-O 3.36Å; T87-G91 VanDerWaalsContact OG1-C 3.24Å; T87-G91 VanDerWaalsContact OG1-CA 3.28Å; T87-G91 WeakPolarHBondContact OG1-CA 3.25Å; T87-G91 PolarHBondContact OG1-O 3.43Å; G88-G91 PolarHBondContact O-N 3.39Å; S89-G91 PolarHBondContact O-N 3.33Å
92S95.6Very high95Very high29 Ų2924.5 Ų24.520%0.20313%0.127CC..  trans-78.3134.5173.9-172.70000111.4K94 T95S92-K94 PolarHBondContact O-N 3.43Å; S92-K94 PolarHBondContact OG-N 3.26Å; S92-T95 WeakPolarHBondContact O-CB 3.43Å; S92-T95 VanDerWaalsContact O-CG2 3.31Å; S92-T95 WeakPolarHBondContact O-CG2 3.26Å; S92-T95 PolarHBondContact O-N 3.11Å; S92-T95 VanDerWaalsContact O-N 3.11Å; S92-T95 PolarHBondContact O-OG1 2.94Å
93F95.9Very high94.8Very high17 Ų1725.5 Ų25.58%0.07513%0.131CC..G310 helixtrans-56-24.3172.470.7-88000113.1Y48 Y66 T95 V96 S117 V118 D119Y48-F93 AromaticContact CD1-CD2 3.82Å; Y48-F93 HydrophobicContact CD1-CD2 3.82Å; Y48-F93 AromaticContact CD1-CE2 3.56Å; Y48-F93 HydrophobicContact CD1-CE2 3.56Å; Y48-F93 HydrophobicContact CD2-CE2 4.46Å; Y48-F93 HydrophobicContact CE1-CD2 4.05Å; Y48-F93 HydrophobicContact CE1-CE2 4.05Å; Y48-F93 AromaticContact CG-CE2 3.79Å; Y48-F93 HydrophobicContact CG-CE2 3.79Å; Y66-F93 HydrophobicContact CD1-CE2 4.43Å; Y66-F93 HydrophobicContact CD2-CD1 4.44Å; Y66-F93 AromaticContact CD2-CD2 3.5Å; Y66-F93 HydrophobicContact CD2-CD2 3.5Å; Y66-F93 HydrophobicContact CD2-CE1 4.35Å; Y66-F93 AromaticContact CD2-CE2 3.4Å; Y66-F93 HydrophobicContact CD2-CE2 3.4Å; Y66-F93 VanDerWaalsContact CD2-CE2 3.4Å; Y66-F93 HydrophobicContact CD2-CG 4.03Å; Y66-F93 AromaticContact CD2-CZ 3.85Å; Y66-F93 HydrophobicContact CD2-CZ 3.85Å; Y66-F93 HydrophobicContact CE2-CD1 4.36Å; Y66-F93 HydrophobicContact CE2-CD2 4.12Å; Y66-F93 AromaticContact CE2-CE1 3.98Å; Y66-F93 HydrophobicContact CE2-CE1 3.98Å; Y66-F93 AromaticContact CE2-CE2 3.72Å; Y66-F93 HydrophobicContact CE2-CE2 3.72Å; Y66-F93 HydrophobicContact CE2-CG 4.41Å; Y66-F93 AromaticContact CE2-CZ 3.63Å; Y66-F93 HydrophobicContact CE2-CZ 3.63Å; Y66-F93 HydrophobicContact CG-CD2 4.07Å; Y66-F93 AromaticContact CG-CE2 3.8Å; Y66-F93 HydrophobicContact CG-CE2 3.8Å; Y66-F93 HydrophobicContact CG-CZ 4.48Å; F93-T95 PolarHBondContact O-N 2.95Å; F93-V96 WeakPolarHBondContact O-CG1 3.48Å; F93-S117 WeakPolarHBondContact CA-OG 3.36Å; F93-S117 PolarHBondContact O-OG 3.33Å; F93-V118 VanDerWaalsContact CB-O 3.28Å; F93-V118 WeakPolarHBondContact CB-O 3.23Å; F93-D119 HydrophobicContact CB-CB 4.05Å; F93-D119 HydrophobicContact CD1-CB 3.58Å; F93-D119 WeakPolarHBondContact CD1-OD2 3.23Å; F93-D119 HydrophobicContact CE1-CB 4.19Å; F93-D119 VanDerWaalsContact CE1-OD2 3.31Å; F93-D119 WeakPolarHBondContact CE1-OD2 3.15Å; F93-D119 HydrophobicContact CG-CB 3.96Å
94K96.3Very high94.3Very high102 Ų10228.9 Ų28.944%0.44315%0.147SC..G310 helixtrans-68.4-9.5179.6-61.4176.6-177.81700113.8Y48 S92 V96 R97Y48-K94 HydrophobicContact CE1-CB 4.31Å; Y48-K94 HydrophobicContact CE1-CG 4.16Å; Y48-K94 HydrophobicContact CE2-CB 4.45Å; Y48-K94 HydrophobicContact CE2-CG 4.03Å; Y48-K94 VanDerWaalsContact OH-CA 3.3Å; Y48-K94 WeakPolarHBondContact OH-CA 3.08Å; Y48-K94 WeakPolarHBondContact OH-CB 3.44Å; Y48-K94 PolarHBondContact OH-O 2.95Å; S92-K94 PolarHBondContact O-N 3.43Å; S92-K94 PolarHBondContact OG-N 3.26Å; K94-V96 PolarHBondContact O-N 2.89Å; K94-R97 VanDerWaalsContact O-CD 3.25Å; K94-R97 WeakPolarHBondContact O-CD 3.43Å; K94-R97 WeakPolarHBondContact O-CG 3.16Å; K94-R97 PolarHBondContact O-N 2.95Å
95T94.4Very high93.8Very high40 Ų4032.4 Ų32.425%0.24517%0.166CC..G310 helixtrans-66.8-26.2178.651.10000112.9F85 S92 F93 R97 S98 L281F85-T95 VanDerWaalsContact CE1-OG1 3.3Å; F85-T95 WeakPolarHBondContact CE1-OG1 3.3Å; S92-T95 WeakPolarHBondContact O-CB 3.43Å; S92-T95 VanDerWaalsContact O-CG2 3.31Å; S92-T95 WeakPolarHBondContact O-CG2 3.26Å; S92-T95 PolarHBondContact O-N 3.11Å; S92-T95 VanDerWaalsContact O-N 3.11Å; S92-T95 PolarHBondContact O-OG1 2.94Å; F93-T95 PolarHBondContact O-N 2.95Å; T95-R97 PolarHBondContact O-N 3.26Å; T95-S98 PolarHBondContact O-N 3.44Å; T95-L281 HydrophobicContact CG2-CD1 4.12Å
96V95.9Very high93.2Very high1 Ų133.5 Ų33.51%0.00617%0.171CC..G310 helixtrans-54.8-25.9177.673.50000113.5Y48 Y68 F85 F93 K94 S98 L99 A100 Y115Y48-V96 HydrophobicContact CE1-CG1 4.26Å; Y68-V96 HydrophobicContact CD2-CG1 4.26Å; Y68-V96 HydrophobicContact CG-CG1 4.31Å; F85-V96 HydrophobicContact CB-CB 4.1Å; F85-V96 HydrophobicContact CB-CG2 3.55Å; F85-V96 HydrophobicContact CD1-CB 3.87Å; F85-V96 HydrophobicContact CD1-CG2 4.24Å; F85-V96 HydrophobicContact CG-CB 4.01Å; F85-V96 HydrophobicContact CG-CG2 3.86Å; F93-V96 WeakPolarHBondContact O-CG1 3.48Å; K94-V96 PolarHBondContact O-N 2.89Å; V96-S98 PolarHBondContact O-N 3.42Å; V96-S98 VanDerWaalsContact O-N 3.14Å; V96-L99 WeakPolarHBondContact O-CB 3.24Å; V96-L99 PolarHBondContact O-N 2.78Å; V96-A100 PolarHBondContact O-N 3.36Å; V96-Y115 HydrophobicContact CG2-CD1 4.09Å; V96-Y115 HydrophobicContact CG2-CG 4.48Å
97R95Very high92.2Very high111 Ų11138.9 Ų38.942%0.41921%0.206SC..Hα-helixtrans-52.8-37.5-177.471.2-172.5179171.1-1.6113.9M42 Y68 K94 T95 L99 A100 T101M42-R97 HydrophobicContact CE-CB 4.31Å; M42-R97 HydrophobicContact CE-CG 3.85Å; M42-R97 HydrophobicContact SD-CB 3.66Å; M42-R97 HydrophobicContact SD-CG 3.61Å; Y68-R97 HydrophobicContact CD2-CB 4.28Å; Y68-R97 HydrophobicContact CE2-CB 3.43Å; Y68-R97 VanDerWaalsContact CE2-CB 3.43Å; K94-R97 VanDerWaalsContact O-CD 3.25Å; K94-R97 WeakPolarHBondContact O-CD 3.43Å; K94-R97 WeakPolarHBondContact O-CG 3.16Å; K94-R97 PolarHBondContact O-N 2.95Å; T95-R97 PolarHBondContact O-N 3.26Å; R97-L99 VanDerWaalsContact C-N 3.32Å; R97-L99 PolarHBondContact O-N 3.02Å; R97-A100 PolarHBondContact O-N 3.26Å; R97-T101 VanDerWaalsContact O-CB 3.25Å; R97-T101 WeakPolarHBondContact O-CB 3Å; R97-T101 VanDerWaalsContact O-CG2 3.29Å; R97-T101 WeakPolarHBondContact O-CG2 3.31Å; R97-T101 PolarHBondContact O-N 3.18Å
98S95.9Very high91.1Very high9 Ų944.8 Ų44.86%0.06323%0.233CC..Hα-helixtrans-67.4-35.6-178.5-79.50000112.1T40 T95 V96 T102 L281T40-S98 WeakPolarHBondContact OG1-CB 3.05Å; T40-S98 PolarHBondContact OG1-OG 3.04Å; T95-S98 PolarHBondContact O-N 3.44Å; V96-S98 PolarHBondContact O-N 3.42Å; V96-S98 VanDerWaalsContact O-N 3.14Å; S98-T102 WeakPolarHBondContact O-CG2 3.27Å; S98-L281 WeakPolarHBondContact CB-O 2.96Å
99L95.1Very high89.8Confident6 Ų647.6 Ų47.63%0.03124%0.243CC..Hα-helixtrans-73-53170.7-177.362.7000109.6V96 R97 T101 T102 Y115 I163 M287 L290 N291V96-L99 WeakPolarHBondContact O-CB 3.24Å; V96-L99 PolarHBondContact O-N 2.78Å; R97-L99 VanDerWaalsContact C-N 3.32Å; R97-L99 PolarHBondContact O-N 3.02Å; L99-T101 PolarHBondContact O-N 2.77Å; L99-T102 PolarHBondContact O-N 3.19Å; L99-T102 PolarHBondContact O-OG1 3.49Å; L99-Y115 HydrophobicContact CD2-CE1 3.59Å; L99-Y115 HydrophobicContact CG-CE1 4Å; L99-Y115 WeakPolarHBondContact CG-OH 3.21Å; L99-I163 HydrophobicContact CD2-CD1 3.48Å; L99-I163 VanDerWaalsContact CD2-CD1 3.48Å; L99-M287 VanDerWaalsContact CA-SD 3.51Å; L99-M287 HydrophobicContact CB-SD 3.59Å; L99-M287 VanDerWaalsContact CB-SD 3.59Å; L99-M287 HydrophobicContact CD1-CB 4.43Å; L99-M287 HydrophobicContact CD1-SD 3.62Å; L99-M287 HydrophobicContact CG-SD 4.17Å; L99-L290 HydrophobicContact CD1-CB 4.11Å; L99-L290 HydrophobicContact CD1-CD1 4.49Å; L99-N291 PolarHBondContact O-ND2 3.18Å
100A92.9Very high88Confident8 Ų851.2 Ų51.27%0.06627%0.268CS..Hα-helixtrans-64.2-38.9-170.100000114.8Y68 V96 R97 T102 I103 Y115Y68-A100 HydrophobicContact CD1-CB 3.19Å; Y68-A100 HydrophobicContact CE1-CB 3.21Å; Y68-A100 HydrophobicContact CG-CB 4.03Å; V96-A100 PolarHBondContact O-N 3.36Å; R97-A100 PolarHBondContact O-N 3.26Å; A100-T102 PolarHBondContact O-N 2.78Å; A100-I103 PolarHBondContact O-N 2.73Å; A100-Y115 VanDerWaalsContact CA-CD2 3.49Å; A100-Y115 VanDerWaalsContact CA-CE2 3.48Å; A100-Y115 HydrophobicContact CB-CD2 3.31Å; A100-Y115 HydrophobicContact CB-CE2 3.86Å; A100-Y115 HydrophobicContact CB-CG 3.71Å
101T92.2Very high86.3Confident1 Ų147.2 Ų47.21%0.00625%0.254CS..Hα-helixtrans-59.8-34.6177.8-162.90000112.5R41 M42 M43 E70 R97 L99 I103 Q104R41-T101 WeakPolarHBondContact O-CG2 3.4Å; M42-T101 HydrophobicContact CE-CG2 3.65Å; M42-T101 HydrophobicContact SD-CG2 4.37Å; M43-T101 PolarHBondContact N-OG1 2.8Å; E70-T101 VanDerWaalsContact CD-OG1 3.24Å; E70-T101 WeakPolarHBondContact OE1-CB 3.41Å; E70-T101 PolarHBondContact OE1-OG1 3.4Å; E70-T101 PolarHBondContact OE2-OG1 3.38Å; E70-T101 VanDerWaalsContact OE2-OG1 3.12Å; R97-T101 VanDerWaalsContact O-CB 3.25Å; R97-T101 WeakPolarHBondContact O-CB 3Å; R97-T101 VanDerWaalsContact O-CG2 3.29Å; R97-T101 WeakPolarHBondContact O-CG2 3.31Å; R97-T101 PolarHBondContact O-N 3.18Å; L99-T101 PolarHBondContact O-N 2.77Å; T101-I103 PolarHBondContact O-N 3.39Å; T101-I103 VanDerWaalsContact O-N 3.16Å; T101-Q104 PolarHBondContact O-N 3.27Å; T101-Q104 VanDerWaalsContact O-N 3.16Å
102T92Very high85.4Confident1 Ų147.5 Ų47.51%0.00625%0.253CS..G310 helixtrans-73.8-9.7-172.260.50000113.9T40 S98 L99 A100 Q104 N105 F106 L284 M287 N291T40-T102 HydrophobicContact CG2-CG2 4.05Å; S98-T102 WeakPolarHBondContact O-CG2 3.27Å; L99-T102 PolarHBondContact O-N 3.19Å; L99-T102 PolarHBondContact O-OG1 3.49Å; A100-T102 PolarHBondContact O-N 2.78Å; T102-Q104 PolarHBondContact O-N 2.77Å; T102-N105 WeakPolarHBondContact O-CB 3.29Å; T102-N105 PolarHBondContact O-N 3.43Å; T102-N105 PolarHBondContact O-ND2 2.68Å; T102-F106 WeakPolarHBondContact O-CD2 3.19Å; T102-L284 HydrophobicContact CG2-CD1 3.75Å; T102-M287 HydrophobicContact CG2-CB 3.91Å; T102-N291 PolarHBondContact OG1-ND2 3.45Å
103I89Confident85.1Confident24 Ų2446.6 Ų46.612%0.12325%0.246CC..G310 helixtrans-55.5-36.1168.1-72.5-176000111.4A100 T101 N105 F106 L113 Y115 N291A100-I103 PolarHBondContact O-N 2.73Å; T101-I103 PolarHBondContact O-N 3.39Å; T101-I103 VanDerWaalsContact O-N 3.16Å; I103-N105 PolarHBondContact O-N 3.44Å; I103-F106 PolarHBondContact O-N 3.43Å; I103-L113 HydrophobicContact CD1-CB 3.59Å; I103-L113 HydrophobicContact CD1-CD1 3.91Å; I103-L113 HydrophobicContact CD1-CG 3.89Å; I103-Y115 HydrophobicContact CD1-CD2 3.76Å; I103-Y115 HydrophobicContact CD1-CE2 3.22Å; I103-Y115 HydrophobicContact CG1-CE2 3.89Å; I103-N291 WeakPolarHBondContact CG1-OD1 3.35Å
104Q85.5Confident84.9Confident72 Ų7246.2 Ų46.234%0.33625%0.245SC..G310 helixtrans-64.5-15.6-176.5-64-175.818.700113.3M43 E70 T101 T102 F106M43-Q104 HydrophobicContact CG-CB 4.27Å; E70-Q104 PolarHBondContact OE2-NE2 2.82Å; T101-Q104 PolarHBondContact O-N 3.27Å; T101-Q104 VanDerWaalsContact O-N 3.16Å; T102-Q104 PolarHBondContact O-N 2.77Å; Q104-F106 PolarHBondContact O-N 3.33Å
105N86.3Confident84.8Confident74 Ų7441.6 Ų41.640%0.39623%0.225SC..G310 helixtrans-75.3-3.2173-62.9-48.7000113.3T102 I103 P107 L288T102-N105 WeakPolarHBondContact O-CB 3.29Å; T102-N105 PolarHBondContact O-N 3.43Å; T102-N105 PolarHBondContact O-ND2 2.68Å; I103-N105 PolarHBondContact O-N 3.44Å; N105-P107 WeakPolarHBondContact O-CD 3.42Å; N105-L288 HydrophobicContact CB-CD2 3.86Å; N105-L288 WeakPolarHBondContact ND2-CD2 3.28Å
106F85.4Confident84.9Confident27 Ų2739.8 Ų39.812%0.11821%0.213CC..  trans-121.857.7-176.2-60.1-77000112.4T102 I103 Q104 Q108 Y109 L288 N291 K292 L295T102-F106 WeakPolarHBondContact O-CD2 3.19Å; I103-F106 PolarHBondContact O-N 3.43Å; Q104-F106 PolarHBondContact O-N 3.33Å; F106-Q108 VanDerWaalsContact CA-OE1 3.28Å; F106-Q108 PolarHBondContact O-N 2.85Å; F106-Q108 VanDerWaalsContact O-N 3.08Å; F106-Y109 HydrophobicContact CB-CD2 3.81Å; F106-Y109 HydrophobicContact CB-CE2 4.24Å; F106-Y109 HydrophobicContact CD1-CE2 4.27Å; F106-Y109 PolarHBondContact O-N 3.22Å; F106-Y109 VanDerWaalsContact O-N 3.16Å; F106-L288 HydrophobicContact CE2-CD2 3.9Å; F106-L288 HydrophobicContact CZ-CB 4.36Å; F106-L288 HydrophobicContact CZ-CD2 4.03Å; F106-L288 VanDerWaalsContact CZ-O 3.28Å; F106-L288 WeakPolarHBondContact CZ-O 3.29Å; F106-N291 HydrophobicContact CD2-CB 4.42Å; F106-N291 HydrophobicContact CE2-CB 4.05Å; F106-K292 HydrophobicContact CE1-CB 4.01Å; F106-K292 HydrophobicContact CE1-CG 4.31Å; F106-K292 HydrophobicContact CZ-CB 3.93Å; F106-L295 HydrophobicContact CB-CD1 3.7Å; F106-L295 HydrophobicContact CD2-CD1 4.07Å; F106-L295 HydrophobicContact CG-CD1 3.97Å
107P78.4Confident85Confident113 Ų11339.8 Ų39.873%0.73421%0.213SC*.THydrogen-bonded Turntrans-63-18.1-176.429-37.6000114N105 Y109N105-P107 WeakPolarHBondContact O-CD 3.42Å; P107-Y109 VanDerWaalsContact C-N 3.26Å; P107-Y109 PolarHBondContact O-N 3.44Å
108Q73.5Confident85.1Confident125 Ų12534.5 Ų34.558%0.58419%0.193SC*.THydrogen-bonded Turntrans-67.6-23.6177.667-85.423.700113.4F106F106-Q108 VanDerWaalsContact CA-OE1 3.28Å; F106-Q108 PolarHBondContact O-N 2.85Å; F106-Q108 VanDerWaalsContact O-N 3.08Å
109Y66.4Low85.1Confident64 Ų6435.2 Ų35.225%0.25120%0.196SC..  trans-85.2117.9176.4-64.6-91.2000109.1F106 P107 S111 L295 V296F106-Y109 HydrophobicContact CB-CD2 3.81Å; F106-Y109 HydrophobicContact CB-CE2 4.24Å; F106-Y109 HydrophobicContact CD1-CE2 4.27Å; F106-Y109 PolarHBondContact O-N 3.22Å; F106-Y109 VanDerWaalsContact O-N 3.16Å; P107-Y109 VanDerWaalsContact C-N 3.26Å; P107-Y109 PolarHBondContact O-N 3.44Å; Y109-S111 PolarHBondContact O-N 2.92Å; Y109-L295 HydrophobicContact CD1-CB 3.82Å; Y109-L295 HydrophobicContact CD2-CB 4.21Å; Y109-L295 HydrophobicContact CD2-CD1 3.78Å; Y109-L295 HydrophobicContact CE1-CB 3.98Å; Y109-L295 HydrophobicContact CE2-CB 4.32Å; Y109-L295 HydrophobicContact CE2-CD1 4.23Å; Y109-L295 HydrophobicContact CG-CB 3.94Å; Y109-L295 HydrophobicContact CG-CD1 4.04Å; Y109-L295 HydrophobicContact CG-CD2 4.44Å; Y109-L295 HydrophobicContact CG-CG 4.37Å; Y109-V296 HydrophobicContact CE1-CG2 4.12Å; Y109-V296 WeakPolarHBondContact OH-CG2 3.44Å
110S55.1Low85.2Confident111 Ų11135 Ų3578%0.77620%0.195SC*.SBendtrans-70.6-19.6178.2-620000113
111S58Low85.3Confident40 Ų4039.3 Ų39.328%0.2822%0.217SC..  trans-99.4111.9176.651.80000109.9Y109 L295Y109-S111 PolarHBondContact O-N 2.92Å; S111-L295 WeakPolarHBondContact O-CD2 3.35Å
112S75.9Confident85.3Confident23 Ų2344.2 Ų44.216%0.16124%0.24CC..  trans-83.2165.1165-12.20000110.4Y79Y79-S112 WeakPolarHBondContact CB-O 3.47Å; Y79-S112 WeakPolarHBondContact CD1-OG 3.29Å; Y79-S112 WeakPolarHBondContact CD2-OG 3.26Å; Y79-S112 WeakPolarHBondContact CE1-OG 3.22Å; Y79-S112 VanDerWaalsContact CE2-CB 3.49Å; Y79-S112 WeakPolarHBondContact CE2-OG 3.41Å; Y79-S112 VanDerWaalsContact CG-CB 3.48Å; Y79-S112 PolarHBondContact OH-OG 3.35Å
113L88.4Confident85.5Confident10 Ų1046.1 Ų46.15%0.05225%0.249CC..  trans-92.3144.2169.1-51.2166.8000108.7V83 I103 Y115 L294 L295 N298V83-L113 HydrophobicContact CG2-CB 3.94Å; V83-L113 HydrophobicContact CG2-CD1 4.27Å; V83-L113 HydrophobicContact CG2-CD2 4.08Å; V83-L113 HydrophobicContact CG2-CG 4.33Å; I103-L113 HydrophobicContact CD1-CB 3.59Å; I103-L113 HydrophobicContact CD1-CD1 3.91Å; I103-L113 HydrophobicContact CD1-CG 3.89Å; L113-Y115 HydrophobicContact CB-CD2 4.43Å; L113-Y115 HydrophobicContact CB-CE2 4.17Å; L113-Y115 HydrophobicContact CD1-CE2 4.28Å; L113-L294 HydrophobicContact CD1-CB 3.57Å; L113-L294 HydrophobicContact CD1-CD1 3.92Å; L113-L294 HydrophobicContact CD1-CG 4.38Å; L113-L295 HydrophobicContact CD1-CD2 4.45Å; L113-L295 HydrophobicContact CG-CD2 4.11Å; L113-N298 WeakPolarHBondContact CD2-ND2 3.26Å
114D91.2Very high85.6Confident8 Ų847.3 Ų47.34%0.04326%0.258CS..EExtended strand (participates in β ladder)trans-96.4102171.7-65-54.6000108.2Y79 N80 S81 P82 V83 Y116 Y150Y79-D114 PolarHBondContact N-OD1 2.78Å; Y79-D114 PolarHBondContact N-OD2 2.81Å; N80-D114 PolarHBondContact N-OD2 3.04Å; N80-D114 VanDerWaalsContact N-OD2 3.11Å; S81-D114 PolarHBondContact O-N 3.04Å; P82-D114 WeakPolarHBondContact CA-O 3.38Å; V83-D114 PolarHBondContact N-O 3.01Å; D114-Y116 HydrophobicContact CB-CE2 3.86Å; D114-Y116 VanDerWaalsContact O-CD2 3.28Å; D114-Y116 WeakPolarHBondContact O-CD2 3.43Å; D114-Y150 WeakPolarHBondContact CB-OH 3.22Å; D114-Y150 VanDerWaalsContact CG-OH 3.28Å; D114-Y150 PolarHBondContact OD2-OH 3.28Å; D114-Y150 VanDerWaalsContact OD2-OH 3.07Å
115Y94.6Very high86Confident6 Ų643.9 Ų43.92%0.02424%0.242CC..EExtended strand (participates in β ladder)trans-82126.6-179.2-81.8-71.8000112.1Y68 V83 V96 L99 A100 I103 L113 I163 N291 L294Y68-Y115 PolarHBondContact N-O 2.92Å; V83-Y115 HydrophobicContact CB-CD1 3.76Å; V83-Y115 HydrophobicContact CB-CE1 3.74Å; V83-Y115 HydrophobicContact CG1-CD1 3.81Å; V83-Y115 HydrophobicContact CG1-CE1 3.49Å; V83-Y115 VanDerWaalsContact CG1-CE1 3.49Å; V83-Y115 HydrophobicContact CG2-CE1 4.25Å; V96-Y115 HydrophobicContact CG2-CD1 4.09Å; V96-Y115 HydrophobicContact CG2-CG 4.48Å; L99-Y115 HydrophobicContact CD2-CE1 3.59Å; L99-Y115 HydrophobicContact CG-CE1 4Å; L99-Y115 WeakPolarHBondContact CG-OH 3.21Å; A100-Y115 VanDerWaalsContact CA-CD2 3.49Å; A100-Y115 VanDerWaalsContact CA-CE2 3.48Å; A100-Y115 HydrophobicContact CB-CD2 3.31Å; A100-Y115 HydrophobicContact CB-CE2 3.86Å; A100-Y115 HydrophobicContact CB-CG 3.71Å; I103-Y115 HydrophobicContact CD1-CD2 3.76Å; I103-Y115 HydrophobicContact CD1-CE2 3.22Å; I103-Y115 HydrophobicContact CG1-CE2 3.89Å; L113-Y115 HydrophobicContact CB-CD2 4.43Å; L113-Y115 HydrophobicContact CB-CE2 4.17Å; L113-Y115 HydrophobicContact CD1-CE2 4.28Å; Y115-I163 HydrophobicContact CE1-CD1 4.35Å; Y115-N291 PolarHBondContact OH-OD1 2.95Å; Y115-L294 WeakPolarHBondContact OH-CD1 3.38Å
116Y97Very high86.1Confident2 Ų242.1 Ų42.11%0.00824%0.238CC..EExtended strand (participates in β ladder)trans-115.7152.2170.4-63.6-95.2000109.4V51 Y66 Q67 P82 V83 F85 D114 I146 Y150V51-Y116 HydrophobicContact CG2-CD1 4.37Å; V51-Y116 HydrophobicContact CG2-CE1 4.09Å; Y66-Y116 CarbonylContact O-C 3.49Å; Y66-Y116 VanDerWaalsContact O-CA 3.23Å; Y66-Y116 WeakPolarHBondContact O-CA 3.32Å; Q67-Y116 HydrophobicContact CB-CD1 3.87Å; Q67-Y116 HydrophobicContact CB-CE1 3.72Å; Q67-Y116 HydrophobicContact CG-CD1 4.17Å; Q67-Y116 HydrophobicContact CG-CE1 3.82Å; P82-Y116 HydrophobicContact CB-CD2 4.41Å; P82-Y116 HydrophobicContact CB-CE2 4.13Å; V83-Y116 PolarHBondContact O-N 3.24Å; F85-Y116 PolarHBondContact N-O 3.27Å; D114-Y116 HydrophobicContact CB-CE2 3.86Å; D114-Y116 VanDerWaalsContact O-CD2 3.28Å; D114-Y116 WeakPolarHBondContact O-CD2 3.43Å; Y116-I146 HydrophobicContact CD1-CD1 4.21Å; Y116-I146 HydrophobicContact CD1-CG1 3.9Å; Y116-I146 HydrophobicContact CD2-CD1 4.28Å; Y116-I146 HydrophobicContact CD2-CG1 4.35Å; Y116-I146 HydrophobicContact CD2-CG2 3.93Å; Y116-I146 HydrophobicContact CE1-CG1 4.18Å; Y116-I146 HydrophobicContact CE1-CG2 4.46Å; Y116-I146 HydrophobicContact CE2-CG2 3.73Å; Y116-I146 HydrophobicContact CG-CD1 3.85Å; Y116-I146 HydrophobicContact CG-CG1 3.98Å; Y116-I146 HydrophobicContact CG-CG2 4.4Å; Y116-Y150 HydrophobicContact CE2-CE2 4.42Å; Y116-Y150 WeakPolarHBondContact CE2-OH 3.4Å; Y116-Y150 PolarHBondContact OH-OH 2.84Å
117S97.7Very high86.3Confident0 Ų045.9 Ų45.90%026%0.259CS..EExtended strand (participates in β ladder)trans-143.6142178.4-172.90000110.3Y66 F85 F93Y66-S117 PolarHBondContact N-O 2.88Å; Y66-S117 PolarHBondContact O-N 3.42Å; F85-S117 WeakPolarHBondContact O-CA 3.48Å; F93-S117 WeakPolarHBondContact CA-OG 3.36Å; F93-S117 PolarHBondContact O-OG 3.33Å
118V97Very high87Confident0 Ų041.7 Ų41.70%023%0.232CC..EExtended strand (participates in β ladder)trans-96132.7178.7-179.50000110.4L65 L84 F85 F93 F120 F138 V139L65-V118 HydrophobicContact CD1-CG2 4.25Å; L84-V118 HydrophobicContact CD1-CG2 3.74Å; L84-V118 HydrophobicContact CG-CG2 4.42Å; F85-V118 PolarHBondContact O-N 2.76Å; F93-V118 VanDerWaalsContact CB-O 3.28Å; F93-V118 WeakPolarHBondContact CB-O 3.23Å; V118-F120 HydrophobicContact CB-CE1 4.24Å; V118-F120 HydrophobicContact CB-CE2 4.5Å; V118-F120 HydrophobicContact CB-CZ 4.11Å; V118-F120 HydrophobicContact CG1-CD1 3.52Å; V118-F120 HydrophobicContact CG1-CD2 4.44Å; V118-F120 HydrophobicContact CG1-CE1 3.19Å; V118-F120 HydrophobicContact CG1-CE2 4.16Å; V118-F120 HydrophobicContact CG1-CG 4.15Å; V118-F120 HydrophobicContact CG1-CZ 3.54Å; V118-F138 HydrophobicContact CG1-CD1 3.6Å; V118-F138 HydrophobicContact CG1-CE1 3.52Å; V118-V139 HydrophobicContact CG2-CG2 4.44Å
119D96.6Very high87.8Confident24 Ų2435.7 Ų35.713%0.12820%0.204CC..EExtended strand (participates in β ladder)trans-93.9120.4166.1-168.51000110.1Y63 A64 Y66 F93 N121Y63-D119 VanDerWaalsContact CA-O 3.22Å; Y63-D119 WeakPolarHBondContact CA-O 3.47Å; A64-D119 HydrophobicContact CB-CB 4.24Å; A64-D119 PolarHBondContact N-O 3.32Å; A64-D119 VanDerWaalsContact N-O 3.11Å; A64-D119 PolarHBondContact O-N 2.92Å; Y66-D119 HydrophobicContact CD2-CB 4.2Å; Y66-D119 HydrophobicContact CE2-CB 3.85Å; F93-D119 HydrophobicContact CB-CB 4.05Å; F93-D119 HydrophobicContact CD1-CB 3.58Å; F93-D119 WeakPolarHBondContact CD1-OD2 3.23Å; F93-D119 HydrophobicContact CE1-CB 4.19Å; F93-D119 VanDerWaalsContact CE1-OD2 3.31Å; F93-D119 WeakPolarHBondContact CE1-OD2 3.15Å; F93-D119 HydrophobicContact CG-CB 3.96Å; D119-N121 PolarHBondContact OD1-N 3.29Å
120F96Very high89.2Confident2 Ų239 Ų391%0.00922%0.222CC..  trans-105.620.9174.8-63.1-49.7000112.7Y63 I86 T87 V118 E122 E123 Q135 F138 V139Y63-F120 HydrophobicContact CD1-CB 4.37Å; Y63-F120 HydrophobicContact CD1-CD1 4.32Å; Y63-F120 AromaticContact CD2-CD1 3.93Å; Y63-F120 HydrophobicContact CD2-CD1 3.93Å; Y63-F120 HydrophobicContact CD2-CE1 4.42Å; Y63-F120 HydrophobicContact CE1-CB 4.02Å; Y63-F120 HydrophobicContact CE1-CD1 4.24Å; Y63-F120 WeakPolarHBondContact CE1-O 3.5Å; Y63-F120 AromaticContact CE2-CD1 3.84Å; Y63-F120 HydrophobicContact CE2-CD1 3.84Å; Y63-F120 HydrophobicContact CE2-CE1 4.36Å; Y63-F120 HydrophobicContact CG-CD1 4.18Å; I86-F120 HydrophobicContact CG2-CE2 3.69Å; I86-F120 HydrophobicContact CG2-CZ 4.04Å; T87-F120 HydrophobicContact CG2-CD2 3.97Å; V118-F120 HydrophobicContact CB-CE1 4.24Å; V118-F120 HydrophobicContact CB-CE2 4.5Å; V118-F120 HydrophobicContact CB-CZ 4.11Å; V118-F120 HydrophobicContact CG1-CD1 3.52Å; V118-F120 HydrophobicContact CG1-CD2 4.44Å; V118-F120 HydrophobicContact CG1-CE1 3.19Å; V118-F120 HydrophobicContact CG1-CE2 4.16Å; V118-F120 HydrophobicContact CG1-CG 4.15Å; V118-F120 HydrophobicContact CG1-CZ 3.54Å; F120-E122 PolarHBondContact O-N 3.43Å; F120-E122 VanDerWaalsContact O-N 3.11Å; F120-E123 PolarHBondContact O-N 3.37Å; F120-Q135 HydrophobicContact CB-CG 4.38Å; F120-Q135 HydrophobicContact CD1-CB 4.13Å; F120-Q135 HydrophobicContact CD1-CG 3.65Å; F120-Q135 HydrophobicContact CD2-CG 4.07Å; F120-Q135 HydrophobicContact CE1-CB 3.68Å; F120-Q135 HydrophobicContact CE1-CG 3.75Å; F120-Q135 HydrophobicContact CE2-CB 4.2Å; F120-Q135 HydrophobicContact CE2-CG 4.17Å; F120-Q135 HydrophobicContact CG-CG 3.81Å; F120-Q135 HydrophobicContact CZ-CB 3.73Å; F120-Q135 HydrophobicContact CZ-CG 4.03Å; F120-F138 HydrophobicContact CE1-CD1 4.19Å; F120-V139 HydrophobicContact CE1-CG2 4.22Å; F120-V139 HydrophobicContact CZ-CG2 3.69Å
121N94.5Very high91Very high98 Ų9834.7 Ų34.752%0.52419%0.19SC..THydrogen-bonded Turntrans54.732.5-178.9-17048.1000112.7D119 E123D119-N121 PolarHBondContact OD1-N 3.29Å; N121-E123 PolarHBondContact O-N 3.18Å; N121-E123 VanDerWaalsContact O-N 3.11Å
122E93.9Very high92.8Very high105 Ų10532.8 Ų32.849%0.49118%0.177SC..THydrogen-bonded Turntrans51.434.9178.5-58.6-179.3177.700114.2Q90 F120Q90-E122 WeakPolarHBondContact CA-O 3.2Å; Q90-E122 WeakPolarHBondContact CG-O 3.48Å; F120-E122 PolarHBondContact O-N 3.43Å; F120-E122 VanDerWaalsContact O-N 3.11Å
123E94.3Very high93.7Very high40 Ų4034.1 Ų34.119%0.18718%0.18CC..  trans-65.7146.5177.1-73.9-175.1144.200112.8Y63 Q90 F120 N121 S125 I131 R134Y63-E123 PolarHBondContact OH-OE2 3.36Å; Q90-E123 PolarHBondContact N-O 3.46Å; F120-E123 PolarHBondContact O-N 3.37Å; N121-E123 PolarHBondContact O-N 3.18Å; N121-E123 VanDerWaalsContact O-N 3.11Å; E123-S125 VanDerWaalsContact C-N 3.27Å; E123-S125 PolarHBondContact O-N 3.25Å; E123-I131 HydrophobicContact CB-CG2 4.09Å; E123-I131 WeakPolarHBondContact OE2-CG2 3.16Å; E123-R134 VanDerWaalsContact CD-NH2 3.34Å; E123-R134 IonicContact OE1-CZ 3.1Å; E123-R134 IonicContact OE1-NH1 3.97Å; E123-R134 IonicContact OE1-NH2 3.74Å; E123-R134 PolarHBondContact OE1-NH2 3.47Å; E123-R134 IonicContact OE2-NH2 2.97Å; E123-R134 PolarHBondContact OE2-NH2 3.04Å; E123-R134 VanDerWaalsContact OE2-NH2 3.12Å
124P92.7Very high94Very high50 Ų5036.9 Ų36.933%0.32519%0.19SC..  trans-80.263.9-178.734.1-36.6000113S89 Q90 A126 L127 I131S89-P124 WeakPolarHBondContact OG-CA 3.41Å; Q90-P124 HydrophobicContact CG-CB 4.13Å; P124-A126 PolarHBondContact O-N 3.5Å; P124-A126 VanDerWaalsContact O-N 3.1Å; P124-L127 PolarHBondContact O-N 3.46Å; P124-L127 VanDerWaalsContact O-N 3.09Å; P124-I131 HydrophobicContact CG-CD1 4.43Å
125S93.2Very high94.2Very high0 Ų036.6 Ų36.60%019%0.188CC..G310 helixtrans-61-20-175.658.60000115S89 E123 L127 S128 V167S89-S125 WeakPolarHBondContact CA-OG 3.28Å; S89-S125 PolarHBondContact OG-N 3.04Å; E123-S125 VanDerWaalsContact C-N 3.27Å; E123-S125 PolarHBondContact O-N 3.25Å; S125-L127 PolarHBondContact O-N 2.83Å; S125-S128 PolarHBondContact O-N 3.29Å; S125-V167 WeakPolarHBondContact OG-CG1 3.35Å
126A89.4Confident94.2Very high37 Ų3736.4 Ų36.431%0.30619%0.188SC..G310 helixtrans-65.5-20.7175.300000113.6S89 P124 V167S89-A126 PolarHBondContact OG-N 3.48Å; P124-A126 PolarHBondContact O-N 3.5Å; P124-A126 VanDerWaalsContact O-N 3.1Å; A126-V167 HydrophobicContact CB-CG2 3.88Å
127L89.3Confident94Very high105 Ų10538.8 Ų38.855%0.5520%0.201SC..G310 helixtrans-1052.6-175-59.4179.3000113.6P124 S125 P204P124-L127 PolarHBondContact O-N 3.46Å; P124-L127 VanDerWaalsContact O-N 3.09Å; S125-L127 PolarHBondContact O-N 2.83Å; L127-P204 WeakPolarHBondContact O-CB 3.5Å; L127-P204 WeakPolarHBondContact O-CG 3.4Å
128S92Very high93.9Very high25 Ų2538.9 Ų38.918%0.17520%0.201CC..  trans-154.6125.5179.4177.40000112.3S125 E130 I131 D205S125-S128 PolarHBondContact O-N 3.29Å; S128-E130 VanDerWaalsContact C-N 3.32Å; S128-E130 PolarHBondContact OG-N 2.78Å; S128-I131 PolarHBondContact O-N 3.48Å; S128-D205 VanDerWaalsContact CA-OD2 3.32Å; S128-D205 WeakPolarHBondContact CA-OD2 3.44Å
129G91.8Very high93.8Very high0 Ų038.9 Ų38.90%020%0.201CC..Hα-helixtrans-67.3-31.817400000112.9I131 I132 E133 D205 I211G129-I131 VanDerWaalsContact C-N 3.28Å; G129-I131 PolarHBondContact O-N 3.02Å; G129-I132 WeakPolarHBondContact O-CB 3.35Å; G129-I132 PolarHBondContact O-N 3.28Å; G129-E133 PolarHBondContact O-N 3.22Å; G129-E133 VanDerWaalsContact O-N 3.13Å; G129-D205 PolarHBondContact N-OD1 3.36Å; G129-D205 PolarHBondContact N-OD2 3.41Å; G129-I211 WeakPolarHBondContact O-CD1 3.44Å
130E93.8Very high93.7Very high132 Ų13238.8 Ų38.862%0.61720%0.201SC*.Hα-helixtrans-64.1-34179.3-172.2175.2-178.700112.1S128 I132 E133 R134 S207S128-E130 VanDerWaalsContact C-N 3.32Å; S128-E130 PolarHBondContact OG-N 2.78Å; E130-I132 VanDerWaalsContact C-N 3.35Å; E130-E133 PolarHBondContact O-N 3.18Å; E130-R134 WeakPolarHBondContact O-CG 3.43Å; E130-R134 PolarHBondContact O-N 3.29Å; E130-S207 PolarHBondContact N-OG 3.47Å
131I94.8Very high93.5Very high21 Ų2141.5 Ų41.511%0.10821%0.213CC..Hα-helixtrans-63.7-42.8173.2-61.3178.7000110.4E123 P124 S128 G129 E133 R134 Q135E123-I131 HydrophobicContact CB-CG2 4.09Å; E123-I131 WeakPolarHBondContact OE2-CG2 3.16Å; P124-I131 HydrophobicContact CG-CD1 4.43Å; S128-I131 PolarHBondContact O-N 3.48Å; G129-I131 VanDerWaalsContact C-N 3.28Å; G129-I131 PolarHBondContact O-N 3.02Å; I131-E133 VanDerWaalsContact C-N 3.32Å; I131-E133 PolarHBondContact O-N 3.28Å; I131-R134 PolarHBondContact O-N 2.79Å; I131-Q135 HydrophobicContact CG2-CG 4.24Å; I131-Q135 VanDerWaalsContact O-CG 3.31Å; I131-Q135 WeakPolarHBondContact O-CG 3.45Å; I131-Q135 PolarHBondContact O-N 3.06Å
132I95.6Very high93.5Very high1 Ų136.9 Ų36.91%0.00519%0.188CC..Hα-helixtrans-61.5-40.9179.1-65.1175.9000111G129 E130 R134 Q135 T136 V167 I170 V171 N174 M208 I211G129-I132 WeakPolarHBondContact O-CB 3.35Å; G129-I132 PolarHBondContact O-N 3.28Å; E130-I132 VanDerWaalsContact C-N 3.35Å; I132-R134 PolarHBondContact O-N 2.8Å; I132-Q135 PolarHBondContact O-N 3.18Å; I132-T136 WeakPolarHBondContact O-CB 3.47Å; I132-T136 PolarHBondContact O-N 3.16Å; I132-T136 PolarHBondContact O-OG1 3.5Å; I132-V167 HydrophobicContact CD1-CG1 3.48Å; I132-V167 VanDerWaalsContact CD1-CG1 3.48Å; I132-V167 HydrophobicContact CG1-CG1 3.74Å; I132-I170 HydrophobicContact CD1-CG2 4.33Å; I132-V171 HydrophobicContact CG2-CG2 4.02Å; I132-N174 HydrophobicContact CG2-CB 4.45Å; I132-M208 HydrophobicContact CD1-CE 3.5Å; I132-M208 HydrophobicContact CD1-SD 3.59Å; I132-M208 VanDerWaalsContact CD1-SD 3.59Å; I132-I211 HydrophobicContact CB-CD1 3.85Å; I132-I211 HydrophobicContact CD1-CD1 4.41Å; I132-I211 HydrophobicContact CG2-CD1 3.86Å
133E94.9Very high93.5Very high50 Ų5032 Ų3223%0.23417%0.165CC..Hα-helixtrans-60.5-45.5176-65.2-75.8-152.700111.6G129 E130 I131 Q135 T136 D137 N174 I211 R214G129-E133 PolarHBondContact O-N 3.22Å; G129-E133 VanDerWaalsContact O-N 3.13Å; E130-E133 PolarHBondContact O-N 3.18Å; I131-E133 VanDerWaalsContact C-N 3.32Å; I131-E133 PolarHBondContact O-N 3.28Å; E133-Q135 PolarHBondContact O-N 2.7Å; E133-T136 WeakPolarHBondContact O-CB 3.34Å; E133-T136 PolarHBondContact O-N 3.39Å; E133-D137 PolarHBondContact O-N 2.91Å; E133-N174 PolarHBondContact OE2-ND2 3.35Å; E133-I211 HydrophobicContact CG-CD1 4.32Å; E133-R214 IonicContact OE1-CZ 3.62Å; E133-R214 IonicContact OE1-NH1 3.99Å; E133-R214 PolarHBondContact OE1-NH1 3.5Å; E133-R214 IonicContact OE1-NH2 2.97Å; E133-R214 PolarHBondContact OE1-NH2 2.95Å; E133-R214 IonicContact OE2-NH1 3.87Å; E133-R214 IonicContact OE2-NH2 3.3Å
134R93.9Very high93.4Very high69 Ų6933.7 Ų33.726%0.2618%0.175SC..Hα-helixtrans-63.8-41.7177.4-64.4-171.4-61.1146.211.5112.2Y60 E123 E130 I131 I132 T136 D137 F138Y60-R134 HydrophobicContact CD1-CB 4.29Å; Y60-R134 HydrophobicContact CD1-CG 4.23Å; Y60-R134 HydrophobicContact CD2-CB 4.02Å; Y60-R134 HydrophobicContact CE1-CB 3.96Å; Y60-R134 VanDerWaalsContact CE1-CD 3.5Å; Y60-R134 HydrophobicContact CE1-CG 3.59Å; Y60-R134 HydrophobicContact CE2-CB 3.66Å; Y60-R134 HydrophobicContact CE2-CG 4.14Å; Y60-R134 WeakPolarHBondContact CE2-O 3.3Å; Y60-R134 HydrophobicContact CG-CB 4.32Å; E123-R134 VanDerWaalsContact CD-NH2 3.34Å; E123-R134 IonicContact OE1-CZ 3.1Å; E123-R134 IonicContact OE1-NH1 3.97Å; E123-R134 IonicContact OE1-NH2 3.74Å; E123-R134 PolarHBondContact OE1-NH2 3.47Å; E123-R134 IonicContact OE2-NH2 2.97Å; E123-R134 PolarHBondContact OE2-NH2 3.04Å; E123-R134 VanDerWaalsContact OE2-NH2 3.12Å; E130-R134 WeakPolarHBondContact O-CG 3.43Å; E130-R134 PolarHBondContact O-N 3.29Å; I131-R134 PolarHBondContact O-N 2.79Å; I132-R134 PolarHBondContact O-N 2.8Å; R134-T136 VanDerWaalsContact C-N 3.32Å; R134-D137 PolarHBondContact O-N 3.26Å; R134-F138 PolarHBondContact O-N 2.9Å
135Q95.5Very high93.5Very high1 Ų132.5 Ų32.51%0.00517%0.167CC..Hα-helixtrans-62.2-41.3174.7-70.8-179.8-1100111.2Y63 F120 I131 I132 E133 F138 V139 V171Y63-Q135 HydrophobicContact CE2-CG 4.11Å; Y63-Q135 WeakPolarHBondContact OH-CG 3.47Å; F120-Q135 HydrophobicContact CB-CG 4.38Å; F120-Q135 HydrophobicContact CD1-CB 4.13Å; F120-Q135 HydrophobicContact CD1-CG 3.65Å; F120-Q135 HydrophobicContact CD2-CG 4.07Å; F120-Q135 HydrophobicContact CE1-CB 3.68Å; F120-Q135 HydrophobicContact CE1-CG 3.75Å; F120-Q135 HydrophobicContact CE2-CB 4.2Å; F120-Q135 HydrophobicContact CE2-CG 4.17Å; F120-Q135 HydrophobicContact CG-CG 3.81Å; F120-Q135 HydrophobicContact CZ-CB 3.73Å; F120-Q135 HydrophobicContact CZ-CG 4.03Å; I131-Q135 HydrophobicContact CG2-CG 4.24Å; I131-Q135 VanDerWaalsContact O-CG 3.31Å; I131-Q135 WeakPolarHBondContact O-CG 3.45Å; I131-Q135 PolarHBondContact O-N 3.06Å; I132-Q135 PolarHBondContact O-N 3.18Å; E133-Q135 PolarHBondContact O-N 2.7Å; Q135-F138 PolarHBondContact O-N 3.19Å; Q135-V139 WeakPolarHBondContact O-CG2 3.32Å; Q135-V139 PolarHBondContact O-N 3.3Å; Q135-V171 HydrophobicContact CB-CG1 4.16Å; Q135-V171 HydrophobicContact CB-CG2 3.98Å
136T95.1Very high93.6Very high3 Ų332.5 Ų32.52%0.01817%0.167CC..Hα-helixtrans-59.9-48.1177.2-57.50000111.4I132 E133 R134 F138 V139 D140 N174 L175I132-T136 WeakPolarHBondContact O-CB 3.47Å; I132-T136 PolarHBondContact O-N 3.16Å; I132-T136 PolarHBondContact O-OG1 3.5Å; E133-T136 WeakPolarHBondContact O-CB 3.34Å; E133-T136 PolarHBondContact O-N 3.39Å; R134-T136 VanDerWaalsContact C-N 3.32Å; T136-F138 VanDerWaalsContact C-N 3.26Å; T136-F138 PolarHBondContact O-N 2.75Å; T136-V139 PolarHBondContact O-N 3.02Å; T136-D140 PolarHBondContact O-N 2.92Å; T136-N174 HydrophobicContact CG2-CB 4.38Å; T136-N174 PolarHBondContact OG1-ND2 3.38Å; T136-L175 VanDerWaalsContact CG2-CA 3.46Å; T136-L175 HydrophobicContact CG2-CB 3.78Å; T136-L175 HydrophobicContact CG2-CD1 4.08Å
137D92.9Very high93.7Very high52 Ų5232 Ų3228%0.27816%0.159SC..Hα-helixtrans-61-32.5177.2-83.9-20.4000113.5Y60 E133 R134 R179Y60-D137 HydrophobicContact CE2-CB 4.03Å; Y60-D137 PolarHBondContact OH-OD2 3.12Å; E133-D137 PolarHBondContact O-N 2.91Å; R134-D137 PolarHBondContact O-N 3.26Å; D137-R179 IonicContact OD1-NH2 2.61Å
138F94.8Very high93.9Very high2 Ų229.1 Ų29.11%0.00916%0.155CC..Hα-helixtrans-75.5-42.9176.2-176.4-92.9000111.5V53 C59 Y63 V118 F120 R134 Q135 T136 D140 K141 A142V53-F138 HydrophobicContact CB-CE2 4.48Å; V53-F138 HydrophobicContact CG1-CE2 4.47Å; V53-F138 HydrophobicContact CG2-CZ 4.12Å; C59-F138 HydrophobicContact CB-CD2 4.24Å; C59-F138 HydrophobicContact CB-CE2 4.05Å; Y63-F138 HydrophobicContact CD2-CB 3.71Å; Y63-F138 HydrophobicContact CD2-CD1 4.28Å; Y63-F138 AromaticContact CD2-CD2 4Å; Y63-F138 HydrophobicContact CD2-CD2 4Å; Y63-F138 AromaticContact CD2-CG 3.72Å; Y63-F138 HydrophobicContact CD2-CG 3.72Å; Y63-F138 HydrophobicContact CE2-CB 4.26Å; Y63-F138 HydrophobicContact CG-CD2 4.44Å; Y63-F138 HydrophobicContact CG-CG 4.4Å; V118-F138 HydrophobicContact CG1-CD1 3.6Å; V118-F138 HydrophobicContact CG1-CE1 3.52Å; F120-F138 HydrophobicContact CE1-CD1 4.19Å; R134-F138 PolarHBondContact O-N 2.9Å; Q135-F138 PolarHBondContact O-N 3.19Å; T136-F138 VanDerWaalsContact C-N 3.26Å; T136-F138 PolarHBondContact O-N 2.75Å; F138-D140 VanDerWaalsContact C-N 3.29Å; F138-D140 PolarHBondContact O-N 3.44Å; F138-K141 PolarHBondContact O-N 3.42Å; F138-A142 HydrophobicContact CE1-CB 4.45Å; F138-A142 WeakPolarHBondContact O-CB 3.28Å; F138-A142 PolarHBondContact O-N 3.19Å
139V95Very high93.9Very high0 Ų031 Ų310%017%0.166CC..Hα-helixtrans-59-40.4176.41690000111.4L84 I86 V118 F120 Q135 T136 K141 A142 I143 V171 L175L84-V139 HydrophobicContact CD2-CG1 4.22Å; I86-V139 HydrophobicContact CD1-CB 4.5Å; I86-V139 HydrophobicContact CD1-CG1 3.67Å; I86-V139 HydrophobicContact CD1-CG2 3.95Å; I86-V139 HydrophobicContact CG1-CG2 4.2Å; V118-V139 HydrophobicContact CG2-CG2 4.44Å; F120-V139 HydrophobicContact CE1-CG2 4.22Å; F120-V139 HydrophobicContact CZ-CG2 3.69Å; Q135-V139 WeakPolarHBondContact O-CG2 3.32Å; Q135-V139 PolarHBondContact O-N 3.3Å; T136-V139 PolarHBondContact O-N 3.02Å; V139-K141 VanDerWaalsContact C-N 3.35Å; V139-K141 PolarHBondContact O-N 3.17Å; V139-A142 WeakPolarHBondContact O-CB 3.24Å; V139-A142 PolarHBondContact O-N 3.24Å; V139-I143 HydrophobicContact CG1-CD1 3.96Å; V139-I143 HydrophobicContact CG1-CG1 4.43Å; V139-I143 WeakPolarHBondContact O-CG1 3.47Å; V139-I143 PolarHBondContact O-N 3.34Å; V139-V171 HydrophobicContact CB-CG1 4.47Å; V139-V171 HydrophobicContact CG2-CG1 3.91Å; V139-L175 HydrophobicContact CG1-CD1 4.32Å; V139-L175 HydrophobicContact CG1-CD2 4.44Å
140D93.4Very high93.9Very high22 Ų2231 Ų3112%0.11817%0.166CC..Hα-helixtrans-53.7-51.1175.6-166.525.4000111.6T136 F138 A142 I143 D144 L175 R179T136-D140 PolarHBondContact O-N 2.92Å; F138-D140 VanDerWaalsContact C-N 3.29Å; F138-D140 PolarHBondContact O-N 3.44Å; D140-A142 PolarHBondContact O-N 3.1Å; D140-I143 PolarHBondContact O-N 3.14Å; D140-D144 PolarHBondContact O-N 3.42Å; D140-L175 HydrophobicContact CB-CD1 3.54Å; D140-R179 IonicContact OD2-NE 3.17Å
141K92.7Very high93.6Very high59 Ų5927.8 Ų27.826%0.25716%0.162SC..Hα-helixtrans-69.2-33.9178.5-62.6170.1-171.6153.50112.6V53 C55 F138 V139 I143 D144 T145V53-K141 HydrophobicContact CG1-CB 3.63Å; C55-K141 HydrophobicContact CB-CD 4.14Å; C55-K141 VanDerWaalsContact SG-CD 3.59Å; F138-K141 PolarHBondContact O-N 3.42Å; V139-K141 VanDerWaalsContact C-N 3.35Å; V139-K141 PolarHBondContact O-N 3.17Å; K141-I143 VanDerWaalsContact C-N 3.35Å; K141-D144 PolarHBondContact O-N 3.26Å; K141-T145 WeakPolarHBondContact O-CB 3.4Å; K141-T145 PolarHBondContact O-N 3.45Å; K141-T145 PolarHBondContact O-OG1 3.14Å
142A94.6Very high93.2Very high0 Ų035 Ų350%020%0.2CC..Hα-helixtrans-63.1-4317600000110.8L65 F138 V139 D140 D144 T145 I146L65-A142 HydrophobicContact CD1-CB 4.25Å; L65-A142 HydrophobicContact CD2-CB 4.18Å; F138-A142 HydrophobicContact CE1-CB 4.45Å; F138-A142 WeakPolarHBondContact O-CB 3.28Å; F138-A142 PolarHBondContact O-N 3.19Å; V139-A142 WeakPolarHBondContact O-CB 3.24Å; V139-A142 PolarHBondContact O-N 3.24Å; D140-A142 PolarHBondContact O-N 3.1Å; A142-D144 PolarHBondContact O-N 3.34Å; A142-T145 PolarHBondContact O-N 3.09Å; A142-I146 WeakPolarHBondContact O-CD1 3.18Å; A142-I146 WeakPolarHBondContact O-CG1 3.4Å; A142-I146 PolarHBondContact O-N 3.15Å
143I94.2Very high92.7Very high4 Ų439.2 Ų39.22%0.02122%0.216CC..Hα-helixtrans-59.6-47176.3-69.5165.8000110.9L84 V139 D140 K141 T145 I146 L147 I160 L162 L175 K186L84-I143 HydrophobicContact CD2-CG1 3.81Å; V139-I143 HydrophobicContact CG1-CD1 3.96Å; V139-I143 HydrophobicContact CG1-CG1 4.43Å; V139-I143 WeakPolarHBondContact O-CG1 3.47Å; V139-I143 PolarHBondContact O-N 3.34Å; D140-I143 PolarHBondContact O-N 3.14Å; K141-I143 VanDerWaalsContact C-N 3.35Å; I143-T145 VanDerWaalsContact C-N 3.32Å; I143-T145 PolarHBondContact O-N 3.2Å; I143-I146 PolarHBondContact O-N 2.95Å; I143-L147 HydrophobicContact CG2-CD1 4.09Å; I143-L147 WeakPolarHBondContact O-CG 3.17Å; I143-L147 PolarHBondContact O-N 3.45Å; I143-I160 HydrophobicContact CG1-CG2 4.48Å; I143-I160 HydrophobicContact CG2-CG2 4.01Å; I143-L162 HydrophobicContact CD1-CD1 4.19Å; I143-L162 HydrophobicContact CD1-CD2 4.05Å; I143-L162 HydrophobicContact CG1-CD2 4.27Å; I143-L175 HydrophobicContact CD1-CD2 3.61Å; I143-K186 HydrophobicContact CG2-CB 4.48Å; I143-K186 HydrophobicContact CG2-CD 4.08Å
144D92.4Very high92.2Very high74 Ų7442.5 Ų42.540%0.39624%0.242SC..Hα-helixtrans-59.1-43.9176.3-79-12.3000112.4D140 K141 A142 G148 K186D140-D144 PolarHBondContact O-N 3.42Å; K141-D144 PolarHBondContact O-N 3.26Å; A142-D144 PolarHBondContact O-N 3.34Å; D144-G148 PolarHBondContact O-N 3.25Å; D144-K186 IonicContact OD1-NZ 3.17Å; D144-K186 PolarHBondContact OD1-NZ 3.42Å
145T94.2Very high91.7Very high25 Ų2545.4 Ų45.415%0.15326%0.263CS..Hα-helixtrans-63.2-47.5178.9-57.60000110.7V51 N52 V53 L65 K141 A142 I143 G148 T149V51-T145 HydrophobicContact CG1-CG2 3.81Å; N52-T145 VanDerWaalsContact O-CG2 3.27Å; N52-T145 WeakPolarHBondContact O-CG2 3.18Å; V53-T145 HydrophobicContact CG2-CG2 4.32Å; L65-T145 HydrophobicContact CD2-CG2 4.42Å; K141-T145 WeakPolarHBondContact O-CB 3.4Å; K141-T145 PolarHBondContact O-N 3.45Å; K141-T145 PolarHBondContact O-OG1 3.14Å; A142-T145 PolarHBondContact O-N 3.09Å; I143-T145 VanDerWaalsContact C-N 3.32Å; I143-T145 PolarHBondContact O-N 3.2Å; T145-G148 PolarHBondContact O-N 2.91Å; T145-T149 VanDerWaalsContact O-CG2 3.25Å; T145-T149 WeakPolarHBondContact O-CG2 3.32Å; T145-T149 PolarHBondContact O-N 3.33Å
146I94.6Very high91.2Very high0 Ų048.3 Ų48.30%028%0.281CS..Hα-helixtrans-59.6-55.4-180-67.5162.9000110L65 P82 L84 Y116 A142 I143 G148 T149 Y150 I160L65-I146 HydrophobicContact CD1-CD1 4.14Å; L65-I146 HydrophobicContact CD2-CD1 4.21Å; L65-I146 HydrophobicContact CD2-CG1 3.79Å; P82-I146 HydrophobicContact CB-CG2 3.58Å; P82-I146 HydrophobicContact CG-CG2 4.37Å; L84-I146 HydrophobicContact CB-CD1 4.27Å; L84-I146 HydrophobicContact CD1-CD1 3.76Å; L84-I146 HydrophobicContact CD2-CD1 4.13Å; L84-I146 HydrophobicContact CG-CD1 4.28Å; Y116-I146 HydrophobicContact CD1-CD1 4.21Å; Y116-I146 HydrophobicContact CD1-CG1 3.9Å; Y116-I146 HydrophobicContact CD2-CD1 4.28Å; Y116-I146 HydrophobicContact CD2-CG1 4.35Å; Y116-I146 HydrophobicContact CD2-CG2 3.93Å; Y116-I146 HydrophobicContact CE1-CG1 4.18Å; Y116-I146 HydrophobicContact CE1-CG2 4.46Å; Y116-I146 HydrophobicContact CE2-CG2 3.73Å; Y116-I146 HydrophobicContact CG-CD1 3.85Å; Y116-I146 HydrophobicContact CG-CG1 3.98Å; Y116-I146 HydrophobicContact CG-CG2 4.4Å; A142-I146 WeakPolarHBondContact O-CD1 3.18Å; A142-I146 WeakPolarHBondContact O-CG1 3.4Å; A142-I146 PolarHBondContact O-N 3.15Å; I143-I146 PolarHBondContact O-N 2.95Å; I146-G148 PolarHBondContact O-N 2.87Å; I146-T149 WeakPolarHBondContact O-CB 3.29Å; I146-T149 PolarHBondContact O-N 3.23Å; I146-T149 PolarHBondContact O-OG1 3.23Å; I146-Y150 HydrophobicContact CG2-CE2 4.05Å; I146-Y150 WeakPolarHBondContact O-CD2 3.47Å; I146-Y150 WeakPolarHBondContact O-CE2 3.49Å; I146-I160 HydrophobicContact CB-CD1 4.24Å; I146-I160 HydrophobicContact CD1-CD1 3.84Å; I146-I160 HydrophobicContact CG2-CD1 3.88Å
147L93Very high90.9Very high26 Ų2649.2 Ų49.214%0.13629%0.287CS..Hα-helixtrans-60.6-37.5180-65.8175.8000111.3P82 I143 T149 Y150 I160 K186P82-L147 HydrophobicContact CG-CD2 4.21Å; I143-L147 HydrophobicContact CG2-CD1 4.09Å; I143-L147 WeakPolarHBondContact O-CG 3.17Å; I143-L147 PolarHBondContact O-N 3.45Å; L147-T149 VanDerWaalsContact C-N 3.28Å; L147-T149 PolarHBondContact O-N 3.46Å; L147-Y150 PolarHBondContact O-N 3.45Å; L147-Y150 VanDerWaalsContact O-N 3.12Å; L147-I160 HydrophobicContact CD2-CB 4.39Å; L147-K186 HydrophobicContact CD1-CB 4.14Å; L147-K186 HydrophobicContact CD1-CD 3.87Å; L147-K186 HydrophobicContact CD1-CG 3.82Å
148G92.8Very high90.5Very high46 Ų4653.7 Ų53.747%0.47431%0.307SS..Hα-helixtrans-59.1-33.4173.400000114D144 T145 I146 Y150 A151D144-G148 PolarHBondContact O-N 3.25Å; T145-G148 PolarHBondContact O-N 2.91Å; I146-G148 PolarHBondContact O-N 2.87Å; G148-Y150 PolarHBondContact O-N 3.5Å; G148-Y150 VanDerWaalsContact O-N 3.16Å; G148-A151 WeakPolarHBondContact O-CB 3.12Å; G148-A151 PolarHBondContact O-N 3.39Å; G148-A151 VanDerWaalsContact O-N 3.14Å
149T91.5Very high90.3Very high64 Ų6456.3 Ų56.339%0.39332%0.319SS..Hα-helixtrans-63.3-20.3176.968.30000113.6V51 T145 I146 L147V51-T149 HydrophobicContact CG1-CG2 4.23Å; T145-T149 VanDerWaalsContact O-CG2 3.25Å; T145-T149 WeakPolarHBondContact O-CG2 3.32Å; T145-T149 PolarHBondContact O-N 3.33Å; I146-T149 WeakPolarHBondContact O-CB 3.29Å; I146-T149 PolarHBondContact O-N 3.23Å; I146-T149 PolarHBondContact O-OG1 3.23Å; L147-T149 VanDerWaalsContact C-N 3.28Å; L147-T149 PolarHBondContact O-N 3.46Å
150Y91.4Very high90.2Very high0 Ų056.4 Ų56.40%032%0.32CS..THydrogen-bonded Turntrans-96.8-2.8178.7-60.6-95000113.8L78 N80 P82 D114 Y116 I146 L147 G148 N152 R153 P157L78-Y150 HydrophobicContact CB-CE1 3.89Å; L78-Y150 HydrophobicContact CD1-CD1 4.48Å; L78-Y150 HydrophobicContact CD1-CE1 4.17Å; L78-Y150 HydrophobicContact CG-CE1 4.43Å; N80-Y150 WeakPolarHBondContact OD1-CD1 2.97Å; P82-Y150 HydrophobicContact CB-CE2 4.12Å; P82-Y150 HydrophobicContact CG-CE2 4.39Å; D114-Y150 WeakPolarHBondContact CB-OH 3.22Å; D114-Y150 VanDerWaalsContact CG-OH 3.28Å; D114-Y150 PolarHBondContact OD2-OH 3.28Å; D114-Y150 VanDerWaalsContact OD2-OH 3.07Å; Y116-Y150 HydrophobicContact CE2-CE2 4.42Å; Y116-Y150 WeakPolarHBondContact CE2-OH 3.4Å; Y116-Y150 PolarHBondContact OH-OH 2.84Å; I146-Y150 HydrophobicContact CG2-CE2 4.05Å; I146-Y150 WeakPolarHBondContact O-CD2 3.47Å; I146-Y150 WeakPolarHBondContact O-CE2 3.49Å; L147-Y150 PolarHBondContact O-N 3.45Å; L147-Y150 VanDerWaalsContact O-N 3.12Å; G148-Y150 PolarHBondContact O-N 3.5Å; G148-Y150 VanDerWaalsContact O-N 3.16Å; Y150-N152 PolarHBondContact O-N 3.39Å; Y150-R153 VanDerWaalsContact O-CB 3.24Å; Y150-R153 WeakPolarHBondContact O-CB 3.48Å; Y150-R153 WeakPolarHBondContact O-CG 3.25Å; Y150-R153 PolarHBondContact O-N 3Å; Y150-P157 VanDerWaalsContact CB-CD 3.42Å; Y150-P157 HydrophobicContact CD1-CG 3.98Å; Y150-P157 HydrophobicContact CD2-CG 3.97Å; Y150-P157 HydrophobicContact CG-CG 3.69Å
151A88.4Confident90.2Very high65 Ų6555.9 Ų55.954%0.53732%0.317SS..THydrogen-bonded Turntrans-56.1-30.7-170.200000114.7G148 R153G148-A151 WeakPolarHBondContact O-CB 3.12Å; G148-A151 PolarHBondContact O-N 3.39Å; G148-A151 VanDerWaalsContact O-N 3.14Å; A151-R153 VanDerWaalsContact C-N 3.3Å; A151-R153 PolarHBondContact O-N 2.85Å
152N86.7Confident90.4Very high171 Ų17153.1 Ų53.191%0.91431%0.305SS*.THydrogen-bonded Turntrans-84.51.7180-64.8-20.8000113.8Y150Y150-N152 PolarHBondContact O-N 3.39Å
153R84.2Confident90.6Very high91 Ų9153.1 Ų53.134%0.34331%0.305SS..SBendtrans-81.1150.3178.4-69-75.2-176.4143.6-6110.3L78 Y150 A151 N155 P156L78-R153 PolarHBondContact O-NH1 3.33Å; Y150-R153 VanDerWaalsContact O-CB 3.24Å; Y150-R153 WeakPolarHBondContact O-CB 3.48Å; Y150-R153 WeakPolarHBondContact O-CG 3.25Å; Y150-R153 PolarHBondContact O-N 3Å; A151-R153 VanDerWaalsContact C-N 3.3Å; A151-R153 PolarHBondContact O-N 2.85Å; R153-N155 VanDerWaalsContact C-N 3.28Å; R153-N155 PolarHBondContact O-N 3.23Å; R153-P156 WeakPolarHBondContact O-CD 3.43Å
154P84.2Confident90.8Very high119 Ų11953 Ų5377%0.77330%0.304SS*.SBendtrans-60.1-37.4-179.122.1-32.9000113
155N83.6Confident91.1Very high130 Ų13050 Ų5070%0.69529%0.288SS*.SBendtrans-127.587.2173.3-64.6-21.1000108.2N80 R153N80-N155 PolarHBondContact ND2-O 2.91Å; R153-N155 VanDerWaalsContact C-N 3.28Å; R153-N155 PolarHBondContact O-N 3.23Å
156P86.5Confident91.2Very high61 Ų6149.3 Ų49.340%0.39628%0.284SS..  trans-68.1143.3177.729.1-32.5000110R153 E158R153-P156 WeakPolarHBondContact O-CD 3.43Å; P156-E158 PolarHBondContact O-N 2.93Å
157P87.6Confident91.2Very high22 Ų2249.8 Ų49.814%0.14329%0.287CS..  trans-64.6126.2170.927.5-30.6000109.7P82 Y150 H159P82-P157 HydrophobicContact CG-CB 4.18Å; P82-P157 HydrophobicContact CG-CG 4Å; Y150-P157 VanDerWaalsContact CB-CD 3.42Å; Y150-P157 HydrophobicContact CD1-CG 3.98Å; Y150-P157 HydrophobicContact CD2-CG 3.97Å; Y150-P157 HydrophobicContact CG-CG 3.69Å; P157-H159 VanDerWaalsContact C-N 3.34Å
158E85.8Confident91.5Very high147 Ų14748.5 Ų48.569%0.68728%0.28SS*.SBendtrans-83.8-15.4173.4-65.1-177.1174.700112.4P156P156-E158 PolarHBondContact O-N 2.93Å
159H89.7Confident91.7Very high56 Ų5646.3 Ų46.326%0.25926%0.258SS..  trans-129151.9-173.8-46.9-59.9000112P157 T185 K186 K188P157-H159 VanDerWaalsContact C-N 3.34Å; H159-T185 PolarHBondContact CE1-O 2.78Å; H159-T185 PolarHBondContact ND1-O 3.33Å; H159-K186 CarbonylContact C-O 3.6Å; H159-K186 WeakPolarHBondContact CA-O 3.45Å; H159-K188 HydrophobicContact CB-CB 4.49Å; H159-K188 HydrophobicContact CB-CD 4.42Å; H159-K188 PolarHBondContact CD2-NZ 3.44Å; H159-K188 WeakPolarHBondContact CE1-CE 3.21Å; H159-K188 PolarHBondContact CE1-NZ 3.45Å; H159-K188 WeakPolarHBondContact NE2-CE 3.07Å; H159-K188 PolarHBondContact NE2-NZ 3Å
160I92.7Very high92Very high3 Ų343.3 Ų43.32%0.01524%0.239CC..EExtended strand (participates in β ladder)trans-123.2143.8174.9-167.6167000109.8P82 L84 I143 I146 L147 L162 K186 V187P82-I160 HydrophobicContact CB-CD1 4.19Å; P82-I160 HydrophobicContact CB-CG1 4.04Å; P82-I160 HydrophobicContact CG-CB 4.32Å; P82-I160 HydrophobicContact CG-CG1 4.13Å; P82-I160 WeakPolarHBondContact O-CG1 3.44Å; L84-I160 HydrophobicContact CB-CD1 3.77Å; L84-I160 HydrophobicContact CB-CG1 4.36Å; I143-I160 HydrophobicContact CG1-CG2 4.48Å; I143-I160 HydrophobicContact CG2-CG2 4.01Å; I146-I160 HydrophobicContact CB-CD1 4.24Å; I146-I160 HydrophobicContact CD1-CD1 3.84Å; I146-I160 HydrophobicContact CG2-CD1 3.88Å; L147-I160 HydrophobicContact CD2-CB 4.39Å; I160-L162 HydrophobicContact CG1-CD2 4.41Å; I160-L162 HydrophobicContact CG2-CD2 3.97Å; I160-K186 PolarHBondContact N-O 3.3Å; I160-V187 HydrophobicContact CG2-CG2 4.12Å
161V94.4Very high92.3Very high11 Ų1143.3 Ų43.37%0.06724%0.239CC..EExtended strand (participates in β ladder)trans-90131.3169.5179.80000108.8P82 V83 L84 I163 L189 L191 L294P82-V161 PolarHBondContact O-N 2.96Å; V83-V161 CarbonylContact C-O 3.58Å; V83-V161 WeakPolarHBondContact CA-O 2.91Å; V83-V161 HydrophobicContact CG1-CB 4.23Å; V83-V161 HydrophobicContact CG1-CG1 4.31Å; V83-V161 HydrophobicContact CG2-CB 4.17Å; L84-V161 PolarHBondContact N-O 3.5Å; V161-I163 HydrophobicContact CG1-CG1 4.34Å; V161-L189 HydrophobicContact CG1-CB 4.31Å; V161-L189 HydrophobicContact CG1-CD2 3.9Å; V161-L189 HydrophobicContact CG1-CG 4.03Å; V161-L189 HydrophobicContact CG2-CB 4.34Å; V161-L189 HydrophobicContact CG2-CD2 4.12Å; V161-L191 HydrophobicContact CG1-CD1 4.03Å; V161-L294 HydrophobicContact CG1-CD2 3.82Å; V161-L294 HydrophobicContact CG2-CD2 4.5Å
162L97Very high92.7Very high0 Ų040.2 Ų40.20%021%0.214CC..EExtended strand (participates in β ladder)trans-105.4132.2175.6-56.1-175.4000110.2L84 I143 I160 I172 L175 V187 L189 V190 L191L84-L162 HydrophobicContact CB-CD2 3.79Å; L84-L162 HydrophobicContact CD2-CD2 4.02Å; L84-L162 HydrophobicContact CG-CD2 4.35Å; I143-L162 HydrophobicContact CD1-CD1 4.19Å; I143-L162 HydrophobicContact CD1-CD2 4.05Å; I143-L162 HydrophobicContact CG1-CD2 4.27Å; I160-L162 HydrophobicContact CG1-CD2 4.41Å; I160-L162 HydrophobicContact CG2-CD2 3.97Å; L162-I172 HydrophobicContact CB-CD1 3.81Å; L162-I172 HydrophobicContact CB-CG1 4.24Å; L162-I172 HydrophobicContact CB-CG2 4.34Å; L162-I172 HydrophobicContact CD1-CG1 4.29Å; L162-I172 HydrophobicContact CD1-CG2 3.78Å; L162-L175 HydrophobicContact CD1-CD2 4.4Å; L162-V187 HydrophobicContact CD1-CB 4.48Å; L162-V187 HydrophobicContact CD1-CG1 3.89Å; L162-V187 HydrophobicContact CD1-CG2 3.72Å; L162-V187 HydrophobicContact CG-CG1 3.98Å; L162-V187 HydrophobicContact CG-CG2 4.11Å; L162-L189 PolarHBondContact N-O 3.23Å; L162-L189 VanDerWaalsContact N-O 3.1Å; L162-V190 HydrophobicContact CB-CG2 4.35Å; L162-V190 CarbonylContact O-C 3.48Å; L162-V190 WeakPolarHBondContact O-CA 3.36Å; L162-L191 PolarHBondContact O-N 3.39Å
163I98.2Very high93.2Very high1 Ų132.1 Ų32.11%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-121.4115.4174.8-52.9-174.8000108.1V83 L84 F85 I86 L99 Y115 V161 L191 L193 L294V83-I163 HydrophobicContact CG1-CD1 3.54Å; V83-I163 HydrophobicContact CG1-CG1 3.81Å; L84-I163 PolarHBondContact O-N 3.45Å; F85-I163 CarbonylContact C-O 3.5Å; F85-I163 WeakPolarHBondContact CA-O 3.49Å; F85-I163 HydrophobicContact CD2-CB 4.07Å; F85-I163 HydrophobicContact CD2-CG2 3.82Å; F85-I163 HydrophobicContact CE2-CG2 4.18Å; I86-I163 PolarHBondContact N-O 2.92Å; L99-I163 HydrophobicContact CD2-CD1 3.48Å; L99-I163 VanDerWaalsContact CD2-CD1 3.48Å; Y115-I163 HydrophobicContact CE1-CD1 4.35Å; V161-I163 HydrophobicContact CG1-CG1 4.34Å; I163-L191 CarbonylContact C-O 3.6Å; I163-L191 VanDerWaalsContact CA-O 3.27Å; I163-L191 WeakPolarHBondContact CA-O 3.19Å; I163-L191 HydrophobicContact CG1-CB 4.17Å; I163-L191 HydrophobicContact CG2-CB 4.24Å; I163-L193 HydrophobicContact CG2-CD1 4.02Å; I163-L193 HydrophobicContact CG2-CG 4.3Å; I163-L294 HydrophobicContact CD1-CD1 4.08Å
164G98Very high93.7Very high0 Ų027.8 Ų27.80%015%0.154CC..EExtended strand (participates in β ladder)trans-107.3136.1177.700000111I86 S169 I172 L191 S192 L193I86-G164 WeakPolarHBondContact O-CA 3.37Å; G164-S169 PolarHBondContact O-OG 2.81Å; G164-S169 VanDerWaalsContact O-OG 3.1Å; G164-I172 VanDerWaalsContact N-CD1 3.35Å; G164-L191 PolarHBondContact N-O 2.98Å; G164-S192 CarbonylContact O-C 3.54Å; G164-L193 PolarHBondContact O-N 2.88Å
165H97.8Very high94.3Very high12 Ų1222.1 Ų22.16%0.05612%0.117CC..EExtended strand (participates in β ladder)trans-107.9133.2168.1172.3-107.7000110.7F85 I86 G88 V167 G168 L193 H277 L281F85-H165 HydrophobicContact CE2-CB 4.26Å; F85-H165 HydrophobicContact CZ-CB 3.99Å; I86-H165 PolarHBondContact O-N 2.79Å; G88-H165 VanDerWaalsContact CA-O 3.25Å; G88-H165 WeakPolarHBondContact CA-O 3.39Å; G88-H165 PolarHBondContact N-O 2.92Å; H165-V167 PolarHBondContact O-N 2.79Å; H165-G168 WeakPolarHBondContact O-CA 3.29Å; H165-G168 PolarHBondContact O-N 2.86Å; H165-L193 CarbonylContact C-O 3.57Å; H165-L193 VanDerWaalsContact CA-O 3.29Å; H165-L193 WeakPolarHBondContact CA-O 3.19Å; H165-L193 PolarHBondContact CD2-O 3.21Å; H165-H277 AromaticContact CE1-NE2 3.79Å; H165-H277 AromaticContact NE2-NE2 4Å; H165-H277 PolarHBondContact NE2-O 2.81Å; H165-L281 HydrophobicContact CB-CD2 3.84Å
166S96.7Very high94.8Very high10 Ų1016 Ų167%0.079%0.085CC..THydrogen-bonded Turntrans54.1-129.6176.7-170.60000110.8G168 S169 L193 A194 H277S166-G168 PolarHBondContact O-N 2.82Å; S166-S169 VanDerWaalsContact O-CB 3.23Å; S166-S169 WeakPolarHBondContact O-CB 3.24Å; S166-S169 PolarHBondContact O-N 3.09Å; S166-S169 PolarHBondContact O-OG 2.83Å; S166-S169 VanDerWaalsContact O-OG 3.14Å; S166-L193 PolarHBondContact N-O 3.21Å; S166-A194 WeakPolarHBondContact CA-O 3.4Å; S166-H277 VanDerWaalsContact CB-NE2 3.29Å; S166-H277 WeakPolarHBondContact CB-NE2 3.42Å; S166-H277 PolarHBondContact OG-CE1 2.94Å; S166-H277 VanDerWaalsContact OG-CE1 3.24Å; S166-H277 PolarHBondContact OG-NE2 2.81Å
167V96.1Very high95.2Very high10 Ų1014.2 Ų14.26%0.0617%0.073CC..Hα-helixtrans-57.6-24.2174-177.60000113.2S125 A126 I132 H165 S169 I170 V171S125-V167 WeakPolarHBondContact OG-CG1 3.35Å; A126-V167 HydrophobicContact CB-CG2 3.88Å; I132-V167 HydrophobicContact CD1-CG1 3.48Å; I132-V167 VanDerWaalsContact CD1-CG1 3.48Å; I132-V167 HydrophobicContact CG1-CG1 3.74Å; H165-V167 PolarHBondContact O-N 2.79Å; V167-S169 PolarHBondContact O-N 2.81Å; V167-I170 HydrophobicContact CG1-CB 4.5Å; V167-I170 WeakPolarHBondContact O-CA 3.47Å; V167-I170 VanDerWaalsContact O-CB 3.3Å; V167-I170 WeakPolarHBondContact O-CB 3.5Å; V167-I170 PolarHBondContact O-N 3.32Å; V167-V171 PolarHBondContact O-N 3.38Å
168G97.5Very high95.4Very high0 Ų015.5 Ų15.50%08%0.083CC..Hα-helixtrans-59.5-27171.700000113.1T87 H165 S166 I172T87-G168 WeakPolarHBondContact O-CA 3.04Å; H165-G168 WeakPolarHBondContact O-CA 3.29Å; H165-G168 PolarHBondContact O-N 2.86Å; S166-G168 PolarHBondContact O-N 2.82Å; G168-I172 WeakPolarHBondContact O-CG1 3.31Å; G168-I172 PolarHBondContact O-N 3.31Å
169S97.8Very high95.6Very high0 Ų013.5 Ų13.50%07%0.069CC..Hα-helixtrans-66.6-39.6169.5-49.70000111.6G164 S166 V167 V171 I172 F173 S192G164-S169 PolarHBondContact O-OG 2.81Å; G164-S169 VanDerWaalsContact O-OG 3.1Å; S166-S169 VanDerWaalsContact O-CB 3.23Å; S166-S169 WeakPolarHBondContact O-CB 3.24Å; S166-S169 PolarHBondContact O-N 3.09Å; S166-S169 PolarHBondContact O-OG 2.83Å; S166-S169 VanDerWaalsContact O-OG 3.14Å; V167-S169 PolarHBondContact O-N 2.81Å; S169-V171 VanDerWaalsContact C-N 3.34Å; S169-I172 WeakPolarHBondContact O-CB 3.47Å; S169-I172 PolarHBondContact O-N 2.93Å; S169-I172 VanDerWaalsContact O-N 3.17Å; S169-F173 WeakPolarHBondContact O-CD2 3.46Å; S169-F173 PolarHBondContact O-N 2.76Å; S169-S192 WeakPolarHBondContact CB-OG 3.28Å; S169-S192 PolarHBondContact OG-OG 3.41Å
170I97.7Very high95.1Very high1 Ų113.7 Ų13.71%0.0057%0.068CC..Hα-helixtrans-68.4-37.2179.2-49-53.9000110.5I132 V167 I172 F173 N174 P196 I211 Y212 I215I132-I170 HydrophobicContact CD1-CG2 4.33Å; V167-I170 HydrophobicContact CG1-CB 4.5Å; V167-I170 WeakPolarHBondContact O-CA 3.47Å; V167-I170 VanDerWaalsContact O-CB 3.3Å; V167-I170 WeakPolarHBondContact O-CB 3.5Å; V167-I170 PolarHBondContact O-N 3.32Å; I170-I172 VanDerWaalsContact C-N 3.28Å; I170-I172 PolarHBondContact O-N 2.75Å; I170-F173 PolarHBondContact O-N 3.09Å; I170-N174 VanDerWaalsContact O-CB 3.23Å; I170-N174 WeakPolarHBondContact O-CB 3.21Å; I170-N174 PolarHBondContact O-N 2.8Å; I170-P196 HydrophobicContact CD1-CG 4.26Å; I170-P196 WeakPolarHBondContact CD1-O 3.48Å; I170-P196 HydrophobicContact CG1-CG 4.29Å; I170-I211 HydrophobicContact CG2-CG2 3.8Å; I170-Y212 HydrophobicContact CD1-CE1 4.17Å; I170-Y212 WeakPolarHBondContact CD1-OH 3.33Å; I170-Y212 HydrophobicContact CG2-CE2 4.14Å; I170-I215 HydrophobicContact CG2-CD1 3.82Å
171V97.4Very high94.2Very high0 Ų020 Ų200%010%0.101CC..Hα-helixtrans-56.2-44.1170.4176.50000110.7I86 I132 Q135 V139 V167 S169 N174 L175I86-V171 HydrophobicContact CG2-CB 4.26Å; I86-V171 HydrophobicContact CG2-CG1 4.3Å; I132-V171 HydrophobicContact CG2-CG2 4.02Å; Q135-V171 HydrophobicContact CB-CG1 4.16Å; Q135-V171 HydrophobicContact CB-CG2 3.98Å; V139-V171 HydrophobicContact CB-CG1 4.47Å; V139-V171 HydrophobicContact CG2-CG1 3.91Å; V167-V171 PolarHBondContact O-N 3.38Å; S169-V171 VanDerWaalsContact C-N 3.34Å; V171-N174 PolarHBondContact O-N 2.73Å; V171-L175 WeakPolarHBondContact O-CB 3.5Å; V171-L175 PolarHBondContact O-N 2.86Å
172I97.1Very high92.9Very high0 Ų022.4 Ų22.40%011%0.113CC..Hα-helixtrans-61.6-52.6175.6-64.9165.9000110.8I86 L162 G164 G168 S169 I170 N174 L175 L176 V190I86-I172 HydrophobicContact CD1-CD1 3.91Å; I86-I172 HydrophobicContact CD1-CG1 3.39Å; L162-I172 HydrophobicContact CB-CD1 3.81Å; L162-I172 HydrophobicContact CB-CG1 4.24Å; L162-I172 HydrophobicContact CB-CG2 4.34Å; L162-I172 HydrophobicContact CD1-CG1 4.29Å; L162-I172 HydrophobicContact CD1-CG2 3.78Å; G164-I172 VanDerWaalsContact N-CD1 3.35Å; G168-I172 WeakPolarHBondContact O-CG1 3.31Å; G168-I172 PolarHBondContact O-N 3.31Å; S169-I172 WeakPolarHBondContact O-CB 3.47Å; S169-I172 PolarHBondContact O-N 2.93Å; S169-I172 VanDerWaalsContact O-N 3.17Å; I170-I172 VanDerWaalsContact C-N 3.28Å; I170-I172 PolarHBondContact O-N 2.75Å; I172-N174 VanDerWaalsContact C-N 3.28Å; I172-N174 PolarHBondContact O-N 3.5Å; I172-L175 VanDerWaalsContact O-CB 3.26Å; I172-L175 WeakPolarHBondContact O-CB 3.25Å; I172-L175 PolarHBondContact O-N 3.12Å; I172-L175 VanDerWaalsContact O-N 3.1Å; I172-L176 HydrophobicContact CG2-CD1 3.96Å; I172-L176 HydrophobicContact CG2-CG 4.2Å; I172-L176 VanDerWaalsContact O-CG 3.31Å; I172-L176 WeakPolarHBondContact O-CG 3.16Å; I172-L176 PolarHBondContact O-N 3.39Å; I172-V190 HydrophobicContact CD1-CG1 4.29Å; I172-V190 HydrophobicContact CG2-CG1 3.87Å; I172-V190 HydrophobicContact CG2-CG2 3.84Å
173F96.5Very high91.3Very high0 Ų022.6 Ų22.60%011%0.114CC..Hα-helixtrans-67.4-30-177.4-69.3-68.7000113S169 I170 L176 S177 V190 I197 I215 L219 I232S169-F173 WeakPolarHBondContact O-CD2 3.46Å; S169-F173 PolarHBondContact O-N 2.76Å; I170-F173 PolarHBondContact O-N 3.09Å; F173-L176 HydrophobicContact CD1-CD1 4.18Å; F173-L176 HydrophobicContact CE1-CD1 4.46Å; F173-L176 PolarHBondContact O-N 2.8Å; F173-S177 WeakPolarHBondContact O-CB 3.31Å; F173-S177 PolarHBondContact O-N 3.36Å; F173-S177 PolarHBondContact O-OG 2.88Å; F173-V190 HydrophobicContact CZ-CG1 4.07Å; F173-I197 HydrophobicContact CD2-CG1 4.18Å; F173-I197 HydrophobicContact CD2-CG2 3.8Å; F173-I197 HydrophobicContact CE2-CB 4.36Å; F173-I197 HydrophobicContact CE2-CD1 3.56Å; F173-I197 HydrophobicContact CE2-CG1 3.67Å; F173-I197 HydrophobicContact CE2-CG2 3.74Å; F173-I197 HydrophobicContact CG-CG2 4.37Å; F173-I197 HydrophobicContact CZ-CD1 3.99Å; F173-I197 HydrophobicContact CZ-CG2 4.23Å; F173-I215 HydrophobicContact CB-CB 4.46Å; F173-I215 HydrophobicContact CB-CD1 3.71Å; F173-I215 HydrophobicContact CB-CG1 3.75Å; F173-I215 HydrophobicContact CB-CG2 3.88Å; F173-I215 HydrophobicContact CG-CG2 4.43Å; F173-L219 HydrophobicContact CD1-CD2 4.48Å; F173-L219 HydrophobicContact CE1-CD2 4.45Å; F173-I232 HydrophobicContact CE1-CD1 3.77Å; F173-I232 HydrophobicContact CE1-CG1 4.13Å; F173-I232 HydrophobicContact CE1-CG2 4.19Å; F173-I232 HydrophobicContact CZ-CD1 4.38Å; F173-I232 HydrophobicContact CZ-CG1 4.42Å; F173-I232 HydrophobicContact CZ-CG2 3.68Å
174N96.6Very high90Very high0 Ų025.8 Ų25.80%013%0.129CC..Hα-helixtrans-66.8-39.3171.3-168.952.6000111.6I132 E133 T136 I170 V171 I172 S177 S178 I211 R214I132-N174 HydrophobicContact CG2-CB 4.45Å; E133-N174 PolarHBondContact OE2-ND2 3.35Å; T136-N174 HydrophobicContact CG2-CB 4.38Å; T136-N174 PolarHBondContact OG1-ND2 3.38Å; I170-N174 VanDerWaalsContact O-CB 3.23Å; I170-N174 WeakPolarHBondContact O-CB 3.21Å; I170-N174 PolarHBondContact O-N 2.8Å; V171-N174 PolarHBondContact O-N 2.73Å; I172-N174 VanDerWaalsContact C-N 3.28Å; I172-N174 PolarHBondContact O-N 3.5Å; N174-S177 WeakPolarHBondContact CA-OG 3.4Å; N174-S177 PolarHBondContact O-OG 3.37Å; N174-S177 VanDerWaalsContact O-OG 3.09Å; N174-S178 VanDerWaalsContact O-CB 3.28Å; N174-S178 WeakPolarHBondContact O-CB 3.21Å; N174-S178 PolarHBondContact O-N 3.47Å; N174-S178 PolarHBondContact O-OG 2.7Å; N174-I211 HydrophobicContact CB-CG2 4.02Å; N174-R214 PolarHBondContact OD1-NH1 2.8Å; N174-R214 PolarHBondContact OD1-NH2 3.24Å
175L95.8Very high89.1Confident1 Ų129.9 Ų29.91%0.00515%0.154CC..Hα-helixtrans-59.7-51.7171.3-17797.6000110.8T136 V139 D140 I143 L162 V171 I172 S177 S178 R179 T183T136-L175 VanDerWaalsContact CG2-CA 3.46Å; T136-L175 HydrophobicContact CG2-CB 3.78Å; T136-L175 HydrophobicContact CG2-CD1 4.08Å; V139-L175 HydrophobicContact CG1-CD1 4.32Å; V139-L175 HydrophobicContact CG1-CD2 4.44Å; D140-L175 HydrophobicContact CB-CD1 3.54Å; I143-L175 HydrophobicContact CD1-CD2 3.61Å; L162-L175 HydrophobicContact CD1-CD2 4.4Å; V171-L175 WeakPolarHBondContact O-CB 3.5Å; V171-L175 PolarHBondContact O-N 2.86Å; I172-L175 VanDerWaalsContact O-CB 3.26Å; I172-L175 WeakPolarHBondContact O-CB 3.25Å; I172-L175 PolarHBondContact O-N 3.12Å; I172-L175 VanDerWaalsContact O-N 3.1Å; L175-S177 VanDerWaalsContact C-N 3.33Å; L175-S177 PolarHBondContact O-N 2.75Å; L175-S178 PolarHBondContact O-N 2.84Å; L175-S178 PolarHBondContact O-OG 2.88Å; L175-R179 WeakPolarHBondContact O-CB 3.43Å; L175-R179 PolarHBondContact O-N 3.12Å; L175-T183 HydrophobicContact CD2-CG2 3.99Å; L175-T183 HydrophobicContact CG-CG2 4.21Å
176L95.1Very high88.8Confident2 Ų231.3 Ų31.31%0.0116%0.16CC..Hα-helixtrans-61.3-41.2-177.9-64.2-179.5000112.1I172 F173 T183 V187 V190 Y218 L230I172-L176 HydrophobicContact CG2-CD1 3.96Å; I172-L176 HydrophobicContact CG2-CG 4.2Å; I172-L176 VanDerWaalsContact O-CG 3.31Å; I172-L176 WeakPolarHBondContact O-CG 3.16Å; I172-L176 PolarHBondContact O-N 3.39Å; F173-L176 HydrophobicContact CD1-CD1 4.18Å; F173-L176 HydrophobicContact CE1-CD1 4.46Å; F173-L176 PolarHBondContact O-N 2.8Å; L176-T183 VanDerWaalsContact CD2-CB 3.5Å; L176-T183 HydrophobicContact CD2-CG2 3.74Å; L176-V187 HydrophobicContact CD2-CB 4.2Å; L176-V187 HydrophobicContact CD2-CG1 4.34Å; L176-V187 HydrophobicContact CD2-CG2 4.36Å; L176-V190 HydrophobicContact CD1-CG2 4.06Å; L176-Y218 HydrophobicContact CB-CE1 3.93Å; L176-Y218 HydrophobicContact CB-CE2 4.31Å; L176-Y218 WeakPolarHBondContact O-CE2 3.37Å; L176-L230 HydrophobicContact CD1-CD2 3.89Å
177S94.6Very high88.5Confident22 Ų2231 Ų3115%0.15416%0.158CC..Hα-helixtrans-73.2-34.3178.658.40000113.8F173 N174 L175F173-S177 WeakPolarHBondContact O-CB 3.31Å; F173-S177 PolarHBondContact O-N 3.36Å; F173-S177 PolarHBondContact O-OG 2.88Å; N174-S177 WeakPolarHBondContact CA-OG 3.4Å; N174-S177 PolarHBondContact O-OG 3.37Å; N174-S177 VanDerWaalsContact O-OG 3.09Å; L175-S177 VanDerWaalsContact C-N 3.33Å; L175-S177 PolarHBondContact O-N 2.75Å
178S92.1Very high88.3Confident50 Ų5032.8 Ų32.835%0.3517%0.165SC..Hα-helixtrans-85.7-26.1-179.2610000114.2N174 L175N174-S178 VanDerWaalsContact O-CB 3.28Å; N174-S178 WeakPolarHBondContact O-CB 3.21Å; N174-S178 PolarHBondContact O-N 3.47Å; N174-S178 PolarHBondContact O-OG 2.7Å; L175-S178 PolarHBondContact O-N 2.84Å; L175-S178 PolarHBondContact O-OG 2.88Å
179R88.2Confident88.1Confident104 Ų10432.9 Ų32.939%0.39217%0.165SC..  trans-120.749.6-174.2-56.4-62.4-176.8169.8-0.6112.5D137 D140 L175 N181 I182 T183D137-R179 IonicContact OD1-NH2 2.61Å; D140-R179 IonicContact OD2-NE 3.17Å; L175-R179 WeakPolarHBondContact O-CB 3.43Å; L175-R179 PolarHBondContact O-N 3.12Å; R179-N181 PolarHBondContact O-N 2.94Å; R179-I182 PolarHBondContact O-N 2.85Å; R179-I182 VanDerWaalsContact O-N 3.16Å; R179-T183 HydrophobicContact CB-CG2 4Å; R179-T183 WeakPolarHBondContact O-CB 3.44Å; R179-T183 VanDerWaalsContact O-CG2 3.3Å; R179-T183 WeakPolarHBondContact O-CG2 3.23Å; R179-T183 PolarHBondContact O-N 3.45Å; R179-T183 VanDerWaalsContact O-N 3.07Å; R179-T183 PolarHBondContact O-OG1 3.43Å
180W80.4Confident88.1Confident61 Ų6132.9 Ų32.923%0.23117%0.165CC..Hα-helixtrans-45.7-55.5-174.7-171.2-82.6000114.7I182 T183 Q184 Y218 Q221 I222 I225 Y228W180-I182 VanDerWaalsContact C-N 3.3Å; W180-I182 PolarHBondContact O-N 3.48Å; W180-T183 PolarHBondContact O-N 2.81Å; W180-T183 PolarHBondContact O-OG1 3.4Å; W180-Q184 VanDerWaalsContact CE2-NE2 3.3Å; W180-Q184 WeakPolarHBondContact O-CG 3.13Å; W180-Q184 PolarHBondContact O-N 3.25Å; W180-Y218 HydrophobicContact CD2-CE2 4.26Å; W180-Y218 AromaticContact CE3-CD2 3.29Å; W180-Y218 HydrophobicContact CE3-CD2 3.29Å; W180-Y218 AromaticContact CE3-CE2 3.35Å; W180-Y218 HydrophobicContact CE3-CE2 3.35Å; W180-Y218 HydrophobicContact CH2-CD2 4.24Å; W180-Y218 HydrophobicContact CH2-CE2 4.15Å; W180-Y218 AromaticContact CZ3-CD2 3.11Å; W180-Y218 HydrophobicContact CZ3-CD2 3.11Å; W180-Y218 AromaticContact CZ3-CE2 3.3Å; W180-Y218 HydrophobicContact CZ3-CE2 3.3Å; W180-Y218 HydrophobicContact CZ3-CG 4.15Å; W180-Q221 HydrophobicContact CH2-CB 3.93Å; W180-Q221 HydrophobicContact CZ3-CB 4.21Å; W180-I222 HydrophobicContact CH2-CG2 3.25Å; W180-I222 HydrophobicContact CZ2-CG2 4.02Å; W180-I222 HydrophobicContact CZ3-CG2 3.78Å; W180-I225 HydrophobicContact CH2-CD1 4.32Å; W180-I225 HydrophobicContact CZ2-CD1 3.93Å; W180-Y228 HydrophobicContact CZ2-CE2 4.39Å
181N74.4Confident88Confident135 Ų13532.8 Ų32.872%0.72217%0.165SC*.Hα-helixtrans-63.8-31.6-175.3-66.7-8.8000114R179R179-N181 PolarHBondContact O-N 2.94Å
182I65.3Low88.1Confident62 Ų6232.8 Ų32.832%0.31817%0.165SC..Hα-helixtrans-85.6-35-174.6-62.4172.1000110.4R179 W180 T185 K186R179-I182 PolarHBondContact O-N 2.85Å; R179-I182 VanDerWaalsContact O-N 3.16Å; W180-I182 VanDerWaalsContact C-N 3.3Å; W180-I182 PolarHBondContact O-N 3.48Å; I182-T185 PolarHBondContact O-OG1 2.92Å; I182-T185 VanDerWaalsContact O-OG1 3.06Å; I182-K186 HydrophobicContact CG2-CD 3.9Å; I182-K186 VanDerWaalsContact CG2-NZ 3.27Å
183T63.8Low88.1Confident4 Ų432.9 Ų32.93%0.02517%0.165CC..Hα-helixtrans-80.1-32.4-171.652.60000112.8L175 L176 R179 W180 T185 K186 V187L175-T183 HydrophobicContact CD2-CG2 3.99Å; L175-T183 HydrophobicContact CG-CG2 4.21Å; L176-T183 VanDerWaalsContact CD2-CB 3.5Å; L176-T183 HydrophobicContact CD2-CG2 3.74Å; R179-T183 HydrophobicContact CB-CG2 4Å; R179-T183 WeakPolarHBondContact O-CB 3.44Å; R179-T183 VanDerWaalsContact O-CG2 3.3Å; R179-T183 WeakPolarHBondContact O-CG2 3.23Å; R179-T183 PolarHBondContact O-N 3.45Å; R179-T183 VanDerWaalsContact O-N 3.07Å; R179-T183 PolarHBondContact O-OG1 3.43Å; W180-T183 PolarHBondContact O-N 2.81Å; W180-T183 PolarHBondContact O-OG1 3.4Å; T183-T185 PolarHBondContact O-N 2.85Å; T183-K186 PolarHBondContact O-N 3.16Å; T183-V187 PolarHBondContact O-N 2.91Å
184Q71.4Confident88.1Confident67 Ų6732.9 Ų32.931%0.31317%0.165SC..Hα-helixtrans-56.6-34.4174.9-75.6-174.1-18.600113.8W180 Y228W180-Q184 VanDerWaalsContact CE2-NE2 3.3Å; W180-Q184 WeakPolarHBondContact O-CG 3.13Å; W180-Q184 PolarHBondContact O-N 3.25Å; Q184-Y228 HydrophobicContact CG-CE2 4.34Å; Q184-Y228 WeakPolarHBondContact CG-OH 2.9Å
185T79.2Confident88.1Confident86 Ų8632.9 Ų32.953%0.52817%0.165SC..Hα-helixtrans-87-27.7-177.754.90000112.4H159 I182 T183H159-T185 PolarHBondContact CE1-O 2.78Å; H159-T185 PolarHBondContact ND1-O 3.33Å; I182-T185 PolarHBondContact O-OG1 2.92Å; I182-T185 VanDerWaalsContact O-OG1 3.06Å; T183-T185 PolarHBondContact O-N 2.85Å
186K90.2Very high88Confident43 Ų4333 Ų3319%0.18717%0.166CC..Hα-helixtrans-103.2-28.2-171.6-64.4175.6-173.6171.50114.3I143 D144 L147 H159 I160 I182 T183I143-K186 HydrophobicContact CG2-CB 4.48Å; I143-K186 HydrophobicContact CG2-CD 4.08Å; D144-K186 IonicContact OD1-NZ 3.17Å; D144-K186 PolarHBondContact OD1-NZ 3.42Å; L147-K186 HydrophobicContact CD1-CB 4.14Å; L147-K186 HydrophobicContact CD1-CD 3.87Å; L147-K186 HydrophobicContact CD1-CG 3.82Å; H159-K186 CarbonylContact C-O 3.6Å; H159-K186 WeakPolarHBondContact CA-O 3.45Å; I160-K186 PolarHBondContact N-O 3.3Å; I182-K186 HydrophobicContact CG2-CD 3.9Å; I182-K186 VanDerWaalsContact CG2-NZ 3.27Å; T183-K186 PolarHBondContact O-N 3.16Å
187V92.2Very high87.9Confident4 Ų432.9 Ų32.92%0.02417%0.166CC..EExtended strand (participates in β ladder)trans-118117.6-173-175.50000110I160 L162 L176 T183 V190 L230I160-V187 HydrophobicContact CG2-CG2 4.12Å; L162-V187 HydrophobicContact CD1-CB 4.48Å; L162-V187 HydrophobicContact CD1-CG1 3.89Å; L162-V187 HydrophobicContact CD1-CG2 3.72Å; L162-V187 HydrophobicContact CG-CG1 3.98Å; L162-V187 HydrophobicContact CG-CG2 4.11Å; L176-V187 HydrophobicContact CD2-CB 4.2Å; L176-V187 HydrophobicContact CD2-CG1 4.34Å; L176-V187 HydrophobicContact CD2-CG2 4.36Å; T183-V187 PolarHBondContact O-N 2.91Å; V187-V190 HydrophobicContact CG1-CG2 3.83Å; V187-L230 HydrophobicContact CG1-CD1 4.04Å
188K91.4Very high87.5Confident47 Ų4735.7 Ų35.720%0.20417%0.174CC..EExtended strand (participates in β ladder)trans-112.6-20.1-179.2-89.7-172-179.3172.40113.1H159 V231 R307H159-K188 HydrophobicContact CB-CB 4.49Å; H159-K188 HydrophobicContact CB-CD 4.42Å; H159-K188 PolarHBondContact CD2-NZ 3.44Å; H159-K188 WeakPolarHBondContact CE1-CE 3.21Å; H159-K188 PolarHBondContact CE1-NZ 3.45Å; H159-K188 WeakPolarHBondContact NE2-CE 3.07Å; H159-K188 PolarHBondContact NE2-NZ 3Å; K188-V231 PolarHBondContact O-N 2.85Å; K188-R307 VanDerWaalsContact CB-NH1 3.34Å; K188-R307 PolarHBondContact O-NH1 2.81Å
189L94Very high87.2Confident1 Ų138 Ų381%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-143.7129.8-176.6176.863.5000110.3V161 L162 L191 V231 I233 L294 F311V161-L189 HydrophobicContact CG1-CB 4.31Å; V161-L189 HydrophobicContact CG1-CD2 3.9Å; V161-L189 HydrophobicContact CG1-CG 4.03Å; V161-L189 HydrophobicContact CG2-CB 4.34Å; V161-L189 HydrophobicContact CG2-CD2 4.12Å; L162-L189 PolarHBondContact N-O 3.23Å; L162-L189 VanDerWaalsContact N-O 3.1Å; L189-L191 HydrophobicContact CD1-CD1 3.9Å; L189-L191 HydrophobicContact CD2-CD1 3.71Å; L189-L191 HydrophobicContact CG-CD1 3.58Å; L189-V231 WeakPolarHBondContact CA-O 3.28Å; L189-V231 HydrophobicContact CD1-CB 4.07Å; L189-V231 HydrophobicContact CD1-CG1 3.98Å; L189-I233 HydrophobicContact CD1-CD1 3.85Å; L189-I233 HydrophobicContact CD1-CG1 4.25Å; L189-L294 HydrophobicContact CD2-CD2 3.81Å; L189-F311 HydrophobicContact CD1-CE2 4.02Å; L189-F311 HydrophobicContact CD1-CZ 4.48Å; L189-F311 HydrophobicContact CD2-CE2 3.82Å; L189-F311 HydrophobicContact CD2-CZ 3.79Å
190V95.9Very high87Confident0 Ų034 Ų340%017%0.166CC..EExtended strand (participates in β ladder)trans-123.4124.1173.4174.60000109.1L162 I172 F173 L176 V187 L230 V231 I232 I233L162-V190 HydrophobicContact CB-CG2 4.35Å; L162-V190 CarbonylContact O-C 3.48Å; L162-V190 WeakPolarHBondContact O-CA 3.36Å; I172-V190 HydrophobicContact CD1-CG1 4.29Å; I172-V190 HydrophobicContact CG2-CG1 3.87Å; I172-V190 HydrophobicContact CG2-CG2 3.84Å; F173-V190 HydrophobicContact CZ-CG1 4.07Å; L176-V190 HydrophobicContact CD1-CG2 4.06Å; V187-V190 HydrophobicContact CG1-CG2 3.83Å; V190-L230 HydrophobicContact CG2-CD1 3.91Å; V190-V231 PolarHBondContact N-O 3.11Å; V190-I232 WeakPolarHBondContact O-CA 3.16Å; V190-I233 PolarHBondContact O-N 2.77Å
191L97.4Very high87Confident0 Ų034 Ų340%017%0.173CC..EExtended strand (participates in β ladder)trans-104.6118167.9-75.374.2000108.7V161 L162 I163 G164 L189 I233 L290 L294V161-L191 HydrophobicContact CG1-CD1 4.03Å; L162-L191 PolarHBondContact O-N 3.39Å; I163-L191 CarbonylContact C-O 3.6Å; I163-L191 VanDerWaalsContact CA-O 3.27Å; I163-L191 WeakPolarHBondContact CA-O 3.19Å; I163-L191 HydrophobicContact CG1-CB 4.17Å; I163-L191 HydrophobicContact CG2-CB 4.24Å; G164-L191 PolarHBondContact N-O 2.98Å; L189-L191 HydrophobicContact CD1-CD1 3.9Å; L189-L191 HydrophobicContact CD2-CD1 3.71Å; L189-L191 HydrophobicContact CG-CD1 3.58Å; L191-I233 CarbonylContact C-O 3.41Å; L191-I233 WeakPolarHBondContact CA-O 3.31Å; L191-I233 HydrophobicContact CD1-CD1 4.38Å; L191-I233 HydrophobicContact CG-CB 4.34Å; L191-I233 HydrophobicContact CG-CD1 4.31Å; L191-L290 HydrophobicContact CD2-CD2 3.86Å; L191-L294 HydrophobicContact CD1-CD2 3.99Å; L191-L294 HydrophobicContact CD2-CD2 4.44Å
192S97.8Very high87.2Confident0 Ų031.5 Ų31.50%016%0.159CC..EExtended strand (participates in β ladder)trans-100.3125.8171.6178.60000109.8G164 S169 G195 I233 I235G164-S192 CarbonylContact O-C 3.54Å; S169-S192 WeakPolarHBondContact CB-OG 3.28Å; S169-S192 PolarHBondContact OG-OG 3.41Å; S192-G195 WeakPolarHBondContact OG-CA 3.25Å; S192-I233 PolarHBondContact N-O 2.91Å; S192-I235 PolarHBondContact O-N 3.09Å
193L97.9Very high87.9Confident1 Ų133.6 Ų33.61%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-112115.4177.1-56.8-179.2000108.8I163 G164 H165 S166 G195 I235 I280 L281 L290I163-L193 HydrophobicContact CG2-CD1 4.02Å; I163-L193 HydrophobicContact CG2-CG 4.3Å; G164-L193 PolarHBondContact O-N 2.88Å; H165-L193 CarbonylContact C-O 3.57Å; H165-L193 VanDerWaalsContact CA-O 3.29Å; H165-L193 WeakPolarHBondContact CA-O 3.19Å; H165-L193 PolarHBondContact CD2-O 3.21Å; S166-L193 PolarHBondContact N-O 3.21Å; L193-G195 PolarHBondContact O-N 3.07Å; L193-I235 CarbonylContact C-O 3.59Å; L193-I235 WeakPolarHBondContact CA-O 3.3Å; L193-I235 HydrophobicContact CD2-CB 4.08Å; L193-I235 HydrophobicContact CD2-CD1 4.18Å; L193-I280 HydrophobicContact CB-CD1 4.04Å; L193-I280 HydrophobicContact CB-CG1 4.4Å; L193-L281 HydrophobicContact CD1-CD2 4.35Å; L193-L290 HydrophobicContact CD1-CD1 4.43Å; L193-L290 HydrophobicContact CD2-CD1 3.97Å
194A96.5Very high88.4Confident0 Ų036 Ų360%019%0.186CC..SBendtrans51.634.4-177.100000113.4S166 I235 D241 V244 I280S166-A194 WeakPolarHBondContact CA-O 3.4Å; A194-I235 PolarHBondContact N-O 2.97Å; A194-D241 VanDerWaalsContact CB-OD2 3.32Å; A194-D241 WeakPolarHBondContact CB-OD2 2.96Å; A194-V244 WeakPolarHBondContact O-CG2 3.2Å; A194-I280 HydrophobicContact CB-CD1 3.93Å; A194-I280 HydrophobicContact CB-CG2 4.23Å
195G96.1Very high88.9Confident0 Ų035.2 Ų35.20%018%0.184CC..  trans-83.9128.6-18000000112.2S192 L193 I197 G249S192-G195 WeakPolarHBondContact OG-CA 3.25Å; L193-G195 PolarHBondContact O-N 3.07Å; G195-I197 PolarHBondContact O-N 3.42Å; G195-G249 WeakPolarHBondContact O-CA 3.36Å
196P93.6Very high89.3Confident4 Ų438.5 Ų38.53%0.02619%0.187CC..  trans-79.860.2174.433.6-34.9000110.8I170 Y198 Q199 V201 Y212 V244 L248I170-P196 HydrophobicContact CD1-CG 4.26Å; I170-P196 WeakPolarHBondContact CD1-O 3.48Å; I170-P196 HydrophobicContact CG1-CG 4.29Å; P196-Y198 PolarHBondContact O-N 2.98Å; P196-Q199 WeakPolarHBondContact CB-O 3.24Å; P196-V201 HydrophobicContact CB-CG2 3.96Å; P196-V201 HydrophobicContact CG-CG2 4.2Å; P196-Y212 WeakPolarHBondContact O-CE1 3.39Å; P196-Y212 PolarHBondContact O-OH 2.94Å; P196-V244 HydrophobicContact CB-CG1 3.94Å; P196-V244 HydrophobicContact CB-CG2 4.36Å; P196-V244 HydrophobicContact CG-CG2 4.41Å; P196-L248 CarbonylContact C-O 3.57Å; P196-L248 VanDerWaalsContact C-O 3.23Å; P196-L248 WeakPolarHBondContact CA-O 3.13Å; P196-L248 HydrophobicContact CB-CB 4.12Å; P196-L248 HydrophobicContact CB-CD1 4.33Å
197I92.9Very high89.3Confident0 Ų037.6 Ų37.60%019%0.186CC..  trans-64.7-39.5-169.6-51.3166.7000112.2F173 G195 L219 L248 I251F173-I197 HydrophobicContact CD2-CG1 4.18Å; F173-I197 HydrophobicContact CD2-CG2 3.8Å; F173-I197 HydrophobicContact CE2-CB 4.36Å; F173-I197 HydrophobicContact CE2-CD1 3.56Å; F173-I197 HydrophobicContact CE2-CG1 3.67Å; F173-I197 HydrophobicContact CE2-CG2 3.74Å; F173-I197 HydrophobicContact CG-CG2 4.37Å; F173-I197 HydrophobicContact CZ-CD1 3.99Å; F173-I197 HydrophobicContact CZ-CG2 4.23Å; G195-I197 PolarHBondContact O-N 3.42Å; I197-L219 HydrophobicContact CG2-CD1 4.38Å; I197-L248 PolarHBondContact N-O 3.22Å; I197-I251 HydrophobicContact CB-CG2 3.75Å; I197-I251 HydrophobicContact CD1-CD1 4.41Å; I197-I251 HydrophobicContact CD1-CG2 4.1Å; I197-I251 HydrophobicContact CG2-CG2 3.66Å
198Y87.6Confident89.1Confident81 Ų8137.7 Ų37.732%0.31819%0.186SC..SBendtrans-73.3-41-174.9178.1-104.1000112.3P196 H216 L248 A254P196-Y198 PolarHBondContact O-N 2.98Å; Y198-H216 PolarHBondContact O-CE1 3.33Å; Y198-H216 PolarHBondContact O-NE2 2.8Å; Y198-L248 WeakPolarHBondContact CB-O 3.32Å; Y198-L248 PolarHBondContact N-O 2.75Å; Y198-A254 HydrophobicContact CD2-CB 3.92Å; Y198-A254 HydrophobicContact CE2-CB 3.84Å
199Q84.6Confident88.9Confident97 Ų9737.3 Ų37.345%0.45319%0.192SC..SBendtrans-156.2144.9-179.7-172.6179.94.400109.8P196 L248P196-Q199 WeakPolarHBondContact CB-O 3.24Å; Q199-L248 HydrophobicContact CB-CD2 4.06Å
200P84Confident88.9Confident21 Ų2141.4 Ų41.414%0.13621%0.21CC..  trans-64.8144.6178.724.5-33.7000112.2I202 L203 M208 Y212P200-I202 VanDerWaalsContact C-N 3.27Å; P200-I202 WeakPolarHBondContact CB-O 3.5Å; P200-I202 PolarHBondContact O-N 3.28Å; P200-L203 HydrophobicContact CG-CB 4.39Å; P200-L203 HydrophobicContact CG-CD1 3.9Å; P200-M208 HydrophobicContact CB-CG 4.33Å; P200-Y212 WeakPolarHBondContact CA-OH 3.4Å; P200-Y212 HydrophobicContact CB-CD2 4.17Å; P200-Y212 HydrophobicContact CB-CE1 4.46Å; P200-Y212 HydrophobicContact CB-CE2 3.55Å; P200-Y212 HydrophobicContact CG-CD2 4.01Å; P200-Y212 HydrophobicContact CG-CE2 3.91Å; P200-Y212 HydrophobicContact CG-CG 4.39Å
201V81.2Confident88.9Confident61 Ų6141.4 Ų41.437%0.3721%0.21SC..SBendtrans-59.5-42.6171.3-175.80000110.8P196 I243 V244 L248P196-V201 HydrophobicContact CB-CG2 3.96Å; P196-V201 HydrophobicContact CG-CG2 4.2Å; V201-I243 WeakPolarHBondContact CG1-O 3.21Å; V201-I243 WeakPolarHBondContact CG2-O 3.35Å; V201-V244 HydrophobicContact CG2-CG2 3.87Å; V201-L248 HydrophobicContact CG2-CD1 4Å
202I77.8Confident88.7Confident83 Ų8342 Ų4243%0.42621%0.213SC..  trans-136137.2176.2-58.3174.1000106.6P200 P204P200-I202 VanDerWaalsContact C-N 3.27Å; P200-I202 WeakPolarHBondContact CB-O 3.5Å; P200-I202 PolarHBondContact O-N 3.28Å; I202-P204 VanDerWaalsContact C-CD 3.46Å; I202-P204 WeakPolarHBondContact O-CD 3.49Å
203L79.9Confident88.4Confident106 Ų10647.9 Ų47.956%0.55524%0.24SC*.  trans-100.686172.5-170.869.2000109.4P200 M208 A209P200-L203 HydrophobicContact CG-CB 4.39Å; P200-L203 HydrophobicContact CG-CD1 3.9Å; L203-M208 HydrophobicContact CD1-CB 4.14Å; L203-M208 HydrophobicContact CD1-CG 4.08Å; L203-A209 HydrophobicContact CD1-CB 3.91Å; L203-A209 HydrophobicContact CD2-CB 4.47Å
204P74.8Confident88.3Confident55 Ų5551.4 Ų51.436%0.35725%0.253SS..  trans-77.2-33-17230.7-37.5000113.3L127 I202 M208L127-P204 WeakPolarHBondContact O-CB 3.5Å; L127-P204 WeakPolarHBondContact O-CG 3.4Å; I202-P204 VanDerWaalsContact C-CD 3.46Å; I202-P204 WeakPolarHBondContact O-CD 3.49Å; P204-M208 HydrophobicContact CG-CB 4.4Å; P204-M208 HydrophobicContact CG-CE 4.2Å
205D81.7Confident88.2Confident49 Ų4951.4 Ų51.426%0.26225%0.253SS..SBendtrans-148.5171.3-171.865.532.8000112.6S128 G129 S207 M208 A209S128-D205 VanDerWaalsContact CA-OD2 3.32Å; S128-D205 WeakPolarHBondContact CA-OD2 3.44Å; G129-D205 PolarHBondContact N-OD1 3.36Å; G129-D205 PolarHBondContact N-OD2 3.41Å; D205-S207 VanDerWaalsContact C-N 3.31Å; D205-S207 PolarHBondContact O-N 3.24Å; D205-S207 WeakPolarHBondContact OD1-CB 3.45Å; D205-S207 PolarHBondContact OD1-N 3.45Å; D205-S207 VanDerWaalsContact OD1-N 3.09Å; D205-M208 WeakPolarHBondContact OD1-CB 3.43Å; D205-M208 PolarHBondContact OD1-N 3.01Å; D205-A209 PolarHBondContact O-N 2.72Å
206R87.9Confident88.1Confident156 Ų15653.9 Ų53.959%0.58927%0.265SS*.Hα-helixtrans-66.5-31.8177.8-172.3-179.3-174.9-174.94112.6A209 Q210 N892R206-A209 WeakPolarHBondContact O-CB 3.34Å; R206-A209 PolarHBondContact O-N 2.9Å; R206-Q210 WeakPolarHBondContact O-CG 3.31Å; R206-Q210 PolarHBondContact O-N 2.95Å; R206-N892 PolarHBondContact NH2-ND2 3.02Å; R206-N892 PolarHBondContact NH2-OD1 2.03Å; R206-N892 VanDerWaalsContact NH2-OD1 3.16Å
207S90.6Very high88.1Confident24 Ų2457.8 Ų57.817%0.16829%0.286CS..Hα-helixtrans-65.3-43-179176.10000110.7E130 D205 A209 Q210 I211E130-S207 PolarHBondContact N-OG 3.47Å; D205-S207 VanDerWaalsContact C-N 3.31Å; D205-S207 PolarHBondContact O-N 3.24Å; D205-S207 WeakPolarHBondContact OD1-CB 3.45Å; D205-S207 PolarHBondContact OD1-N 3.45Å; D205-S207 VanDerWaalsContact OD1-N 3.09Å; S207-A209 VanDerWaalsContact C-N 3.34Å; S207-A209 PolarHBondContact O-N 2.67Å; S207-Q210 PolarHBondContact O-N 3.43Å; S207-I211 VanDerWaalsContact O-CG1 3.31Å; S207-I211 WeakPolarHBondContact O-CG1 3.27Å; S207-I211 PolarHBondContact O-N 3.42Å
208M86.9Confident88.2Confident6 Ų658 Ų583%0.0329%0.287CS..Hα-helixtrans-58.2-46.1172.8-169.670.972.100110.9I132 P200 L203 P204 D205 Q210 I211 Y212I132-M208 HydrophobicContact CD1-CE 3.5Å; I132-M208 HydrophobicContact CD1-SD 3.59Å; I132-M208 VanDerWaalsContact CD1-SD 3.59Å; P200-M208 HydrophobicContact CB-CG 4.33Å; L203-M208 HydrophobicContact CD1-CB 4.14Å; L203-M208 HydrophobicContact CD1-CG 4.08Å; P204-M208 HydrophobicContact CG-CB 4.4Å; P204-M208 HydrophobicContact CG-CE 4.2Å; D205-M208 WeakPolarHBondContact OD1-CB 3.43Å; D205-M208 PolarHBondContact OD1-N 3.01Å; M208-Q210 VanDerWaalsContact C-N 3.31Å; M208-Q210 PolarHBondContact O-N 3.09Å; M208-I211 WeakPolarHBondContact O-CB 3.42Å; M208-I211 PolarHBondContact O-N 3.34Å; M208-Y212 HydrophobicContact CG-CD2 4.11Å; M208-Y212 HydrophobicContact CG-CE2 4.04Å; M208-Y212 WeakPolarHBondContact O-CD2 3.13Å; M208-Y212 PolarHBondContact O-N 3.34Å; M208-Y212 VanDerWaalsContact O-N 3.09Å; M208-Y212 HydrophobicContact SD-CD2 4.17Å; M208-Y212 HydrophobicContact SD-CE2 3.68Å
209A88.2Confident88.4Confident39 Ų3954.2 Ų54.232%0.32227%0.272SS..Hα-helixtrans-57.6-44.117700000112L203 D205 R206 S207 Y212 Q213L203-A209 HydrophobicContact CD1-CB 3.91Å; L203-A209 HydrophobicContact CD2-CB 4.47Å; D205-A209 PolarHBondContact O-N 2.72Å; R206-A209 WeakPolarHBondContact O-CB 3.34Å; R206-A209 PolarHBondContact O-N 2.9Å; S207-A209 VanDerWaalsContact C-N 3.34Å; S207-A209 PolarHBondContact O-N 2.67Å; A209-Y212 PolarHBondContact O-N 2.99Å; A209-Q213 WeakPolarHBondContact O-CB 3.3Å; A209-Q213 PolarHBondContact O-N 3.27Å
210Q93.7Very high88.7Confident86 Ų8653.8 Ų53.840%0.40227%0.272SS..Hα-helixtrans-66.7-36.1178.2-71.2172.7-2200112.8R206 S207 M208 R214R206-Q210 WeakPolarHBondContact O-CG 3.31Å; R206-Q210 PolarHBondContact O-N 2.95Å; S207-Q210 PolarHBondContact O-N 3.43Å; M208-Q210 VanDerWaalsContact C-N 3.31Å; M208-Q210 PolarHBondContact O-N 3.09Å; Q210-R214 WeakPolarHBondContact O-CG 3.49Å; Q210-R214 PolarHBondContact O-N 3.07Å; Q210-R214 PolarHBondContact O-NE 3.12Å
211I94.9Very high89.1Confident0 Ų058.1 Ų58.10%029%0.291CS..Hα-helixtrans-60-53173.9-70.9159.5000109.8G129 I132 E133 I170 N174 S207 M208 Q213 R214 I215G129-I211 WeakPolarHBondContact O-CD1 3.44Å; I132-I211 HydrophobicContact CB-CD1 3.85Å; I132-I211 HydrophobicContact CD1-CD1 4.41Å; I132-I211 HydrophobicContact CG2-CD1 3.86Å; E133-I211 HydrophobicContact CG-CD1 4.32Å; I170-I211 HydrophobicContact CG2-CG2 3.8Å; N174-I211 HydrophobicContact CB-CG2 4.02Å; S207-I211 VanDerWaalsContact O-CG1 3.31Å; S207-I211 WeakPolarHBondContact O-CG1 3.27Å; S207-I211 PolarHBondContact O-N 3.42Å; M208-I211 WeakPolarHBondContact O-CB 3.42Å; M208-I211 PolarHBondContact O-N 3.34Å; I211-Q213 PolarHBondContact O-N 3.15Å; I211-R214 PolarHBondContact O-N 3.32Å; I211-I215 HydrophobicContact CG2-CD1 3.7Å; I211-I215 HydrophobicContact CG2-CG1 4.46Å; I211-I215 VanDerWaalsContact O-CG1 3.3Å; I211-I215 WeakPolarHBondContact O-CG1 3.31Å; I211-I215 PolarHBondContact O-N 2.92Å
212Y93.3Very high89.6Confident13 Ų1355.3 Ų55.35%0.05127%0.274CS..Hα-helixtrans-64.1-39.6-179.9-83.5-92.5000112.7I170 P196 P200 M208 A209 R214 I215 H216I170-Y212 HydrophobicContact CD1-CE1 4.17Å; I170-Y212 WeakPolarHBondContact CD1-OH 3.33Å; I170-Y212 HydrophobicContact CG2-CE2 4.14Å; P196-Y212 WeakPolarHBondContact O-CE1 3.39Å; P196-Y212 PolarHBondContact O-OH 2.94Å; P200-Y212 WeakPolarHBondContact CA-OH 3.4Å; P200-Y212 HydrophobicContact CB-CD2 4.17Å; P200-Y212 HydrophobicContact CB-CE1 4.46Å; P200-Y212 HydrophobicContact CB-CE2 3.55Å; P200-Y212 HydrophobicContact CG-CD2 4.01Å; P200-Y212 HydrophobicContact CG-CE2 3.91Å; P200-Y212 HydrophobicContact CG-CG 4.39Å; M208-Y212 HydrophobicContact CG-CD2 4.11Å; M208-Y212 HydrophobicContact CG-CE2 4.04Å; M208-Y212 WeakPolarHBondContact O-CD2 3.13Å; M208-Y212 PolarHBondContact O-N 3.34Å; M208-Y212 VanDerWaalsContact O-N 3.09Å; M208-Y212 HydrophobicContact SD-CD2 4.17Å; M208-Y212 HydrophobicContact SD-CE2 3.68Å; A209-Y212 PolarHBondContact O-N 2.99Å; Y212-R214 VanDerWaalsContact C-N 3.32Å; Y212-R214 PolarHBondContact O-N 3.35Å; Y212-I215 PolarHBondContact O-N 3.23Å; Y212-H216 PolarHBondContact O-CD2 2.75Å; Y212-H216 PolarHBondContact O-N 3.1Å
213Q93.4Very high90.2Very high123 Ų12352 Ų5258%0.57526%0.258SS*.Hα-helixtrans-59.4-43.3174.8-172.7179.40.400111.8A209 I211 H216 N217A209-Q213 WeakPolarHBondContact O-CB 3.3Å; A209-Q213 PolarHBondContact O-N 3.27Å; I211-Q213 PolarHBondContact O-N 3.15Å; Q213-H216 PolarHBondContact O-N 3.12Å; Q213-N217 WeakPolarHBondContact O-CB 3.23Å; Q213-N217 PolarHBondContact O-N 3.02Å; Q213-N217 PolarHBondContact O-ND2 3.38Å; Q213-N217 PolarHBondContact O-OD1 2.8Å
214R94.8Very high90.7Very high75 Ų7552.7 Ų52.728%0.28326%0.262SS..Hα-helixtrans-64.3-40.8175-76.6-177.6-65.2157.94112.3E133 N174 Q210 I211 Y212 N217 Y218E133-R214 IonicContact OE1-CZ 3.62Å; E133-R214 IonicContact OE1-NH1 3.99Å; E133-R214 PolarHBondContact OE1-NH1 3.5Å; E133-R214 IonicContact OE1-NH2 2.97Å; E133-R214 PolarHBondContact OE1-NH2 2.95Å; E133-R214 IonicContact OE2-NH1 3.87Å; E133-R214 IonicContact OE2-NH2 3.3Å; N174-R214 PolarHBondContact OD1-NH1 2.8Å; N174-R214 PolarHBondContact OD1-NH2 3.24Å; Q210-R214 WeakPolarHBondContact O-CG 3.49Å; Q210-R214 PolarHBondContact O-N 3.07Å; Q210-R214 PolarHBondContact O-NE 3.12Å; I211-R214 PolarHBondContact O-N 3.32Å; Y212-R214 VanDerWaalsContact C-N 3.32Å; Y212-R214 PolarHBondContact O-N 3.35Å; R214-N217 PolarHBondContact O-N 3.02Å; R214-Y218 VanDerWaalsContact O-CB 3.3Å; R214-Y218 WeakPolarHBondContact O-CB 3.47Å; R214-Y218 PolarHBondContact O-N 2.8Å
215I94.8Very high91.4Very high0 Ų053.4 Ų53.40%026%0.262CS..Hα-helixtrans-62.5-46.8176.7-68.1168.5000110.6I170 F173 I211 Y212 Y218 L219I170-I215 HydrophobicContact CG2-CD1 3.82Å; F173-I215 HydrophobicContact CB-CB 4.46Å; F173-I215 HydrophobicContact CB-CD1 3.71Å; F173-I215 HydrophobicContact CB-CG1 3.75Å; F173-I215 HydrophobicContact CB-CG2 3.88Å; F173-I215 HydrophobicContact CG-CG2 4.43Å; I211-I215 HydrophobicContact CG2-CD1 3.7Å; I211-I215 HydrophobicContact CG2-CG1 4.46Å; I211-I215 VanDerWaalsContact O-CG1 3.3Å; I211-I215 WeakPolarHBondContact O-CG1 3.31Å; I211-I215 PolarHBondContact O-N 2.92Å; Y212-I215 PolarHBondContact O-N 3.23Å; I215-Y218 WeakPolarHBondContact O-CB 3.47Å; I215-Y218 PolarHBondContact O-N 3.13Å; I215-L219 HydrophobicContact CG2-CD1 3.86Å; I215-L219 HydrophobicContact CG2-CG 4.22Å; I215-L219 WeakPolarHBondContact O-CB 3.46Å; I215-L219 VanDerWaalsContact O-CG 3.32Å; I215-L219 WeakPolarHBondContact O-CG 3.46Å; I215-L219 PolarHBondContact O-N 2.98Å
216H93.4Very high91.7Very high52 Ų5256.5 Ų56.524%0.24129%0.285CS..Hα-helixtrans-62.3-45.3177.7-73.6-57.6000112.4Y198 Y212 Q213 Y218 L219 D220 Y255Y198-H216 PolarHBondContact O-CE1 3.33Å; Y198-H216 PolarHBondContact O-NE2 2.8Å; Y212-H216 PolarHBondContact O-CD2 2.75Å; Y212-H216 PolarHBondContact O-N 3.1Å; Q213-H216 PolarHBondContact O-N 3.12Å; H216-Y218 VanDerWaalsContact C-N 3.26Å; H216-Y218 PolarHBondContact O-N 3.07Å; H216-L219 PolarHBondContact O-N 3.46Å; H216-D220 VanDerWaalsContact O-CB 3.28Å; H216-D220 WeakPolarHBondContact O-CB 3.29Å; H216-D220 PolarHBondContact O-N 3.22Å; H216-Y255 PolarHBondContact ND1-OH 3.34Å
217N94.2Very high91.5Very high86 Ų8654.3 Ų54.346%0.4629%0.285SS..Hα-helixtrans-59.6-40.5175.5-69.1-10.6000111.3Q213 R214 Q221Q213-N217 WeakPolarHBondContact O-CB 3.23Å; Q213-N217 PolarHBondContact O-N 3.02Å; Q213-N217 PolarHBondContact O-ND2 3.38Å; Q213-N217 PolarHBondContact O-OD1 2.8Å; R214-N217 PolarHBondContact O-N 3.02Å; N217-Q221 WeakPolarHBondContact O-CB 3.28Å; N217-Q221 WeakPolarHBondContact O-CG 3.45Å; N217-Q221 PolarHBondContact O-N 3.11Å
218Y93.7Very high91.5Very high6 Ų653.8 Ų53.82%0.02428%0.279CS..Hα-helixtrans-63.1-51.5175.8171.4-96.8000112L176 W180 R214 I215 H216 D220 Q221 I222 Y228 L230L176-Y218 HydrophobicContact CB-CE1 3.93Å; L176-Y218 HydrophobicContact CB-CE2 4.31Å; L176-Y218 WeakPolarHBondContact O-CE2 3.37Å; W180-Y218 HydrophobicContact CD2-CE2 4.26Å; W180-Y218 AromaticContact CE3-CD2 3.29Å; W180-Y218 HydrophobicContact CE3-CD2 3.29Å; W180-Y218 AromaticContact CE3-CE2 3.35Å; W180-Y218 HydrophobicContact CE3-CE2 3.35Å; W180-Y218 HydrophobicContact CH2-CD2 4.24Å; W180-Y218 HydrophobicContact CH2-CE2 4.15Å; W180-Y218 AromaticContact CZ3-CD2 3.11Å; W180-Y218 HydrophobicContact CZ3-CD2 3.11Å; W180-Y218 AromaticContact CZ3-CE2 3.3Å; W180-Y218 HydrophobicContact CZ3-CE2 3.3Å; W180-Y218 HydrophobicContact CZ3-CG 4.15Å; R214-Y218 VanDerWaalsContact O-CB 3.3Å; R214-Y218 WeakPolarHBondContact O-CB 3.47Å; R214-Y218 PolarHBondContact O-N 2.8Å; I215-Y218 WeakPolarHBondContact O-CB 3.47Å; I215-Y218 PolarHBondContact O-N 3.13Å; H216-Y218 VanDerWaalsContact C-N 3.26Å; H216-Y218 PolarHBondContact O-N 3.07Å; Y218-D220 VanDerWaalsContact C-N 3.31Å; Y218-D220 PolarHBondContact O-N 3.01Å; Y218-Q221 PolarHBondContact O-N 3.47Å; Y218-I222 HydrophobicContact CD1-CD1 4.23Å; Y218-I222 HydrophobicContact CD2-CG2 4.42Å; Y218-I222 HydrophobicContact CE1-CD1 3.63Å; Y218-I222 HydrophobicContact CE1-CG1 4.44Å; Y218-I222 HydrophobicContact CE1-CG2 4.31Å; Y218-I222 HydrophobicContact CE2-CG2 3.94Å; Y218-I222 WeakPolarHBondContact O-CG1 3.42Å; Y218-I222 PolarHBondContact O-N 3.5Å; Y218-Y228 PolarHBondContact OH-OH 2.78Å; Y218-L230 HydrophobicContact CE1-CD2 4.42Å
219L93Very high91.6Very high1 Ų155.5 Ų55.51%0.00529%0.291CS..Hα-helixtrans-61.2-40.6-179.5-69.8177.7000111.7F173 I197 I215 H216 I222 S223 I232 Y255 L258F173-L219 HydrophobicContact CD1-CD2 4.48Å; F173-L219 HydrophobicContact CE1-CD2 4.45Å; I197-L219 HydrophobicContact CG2-CD1 4.38Å; I215-L219 HydrophobicContact CG2-CD1 3.86Å; I215-L219 HydrophobicContact CG2-CG 4.22Å; I215-L219 WeakPolarHBondContact O-CB 3.46Å; I215-L219 VanDerWaalsContact O-CG 3.32Å; I215-L219 WeakPolarHBondContact O-CG 3.46Å; I215-L219 PolarHBondContact O-N 2.98Å; H216-L219 PolarHBondContact O-N 3.46Å; L219-I222 HydrophobicContact CD2-CD1 4.07Å; L219-I222 WeakPolarHBondContact O-CG1 3.39Å; L219-S223 VanDerWaalsContact O-CB 3.32Å; L219-S223 WeakPolarHBondContact O-CB 3.42Å; L219-S223 PolarHBondContact O-N 3.28Å; L219-S223 PolarHBondContact O-OG 3.29Å; L219-I232 HydrophobicContact CD2-CD1 4.08Å; L219-Y255 HydrophobicContact CB-CD1 4.35Å; L219-Y255 HydrophobicContact CB-CD2 4.19Å; L219-Y255 HydrophobicContact CB-CE1 4.03Å; L219-Y255 HydrophobicContact CB-CE2 3.86Å; L219-Y255 HydrophobicContact CB-CG 4.42Å; L219-Y255 HydrophobicContact CD1-CD2 4.22Å; L219-Y255 HydrophobicContact CD1-CE2 3.75Å; L219-Y255 HydrophobicContact CG-CE2 4.46Å; L219-L258 HydrophobicContact CD2-CD2 4.28Å
220D91.6Very high91.8Very high87 Ų8754 Ų5447%0.46528%0.277SS..Hα-helixtrans-68.6-33.7176.4-163.342.5000112.5H216 Y218 S223 N224 Y255H216-D220 VanDerWaalsContact O-CB 3.28Å; H216-D220 WeakPolarHBondContact O-CB 3.29Å; H216-D220 PolarHBondContact O-N 3.22Å; Y218-D220 VanDerWaalsContact C-N 3.31Å; Y218-D220 PolarHBondContact O-N 3.01Å; D220-S223 PolarHBondContact O-OG 3.1Å; D220-N224 PolarHBondContact O-ND2 3.3Å; D220-Y255 HydrophobicContact CB-CE1 4.06Å
221Q92.1Very high91.8Very high112 Ų11249.9 Ų49.952%0.52326%0.258SS..Hα-helixtrans-70.2-45.8173.9-76.4172.91.800112.3W180 N217 Y218 N224W180-Q221 HydrophobicContact CH2-CB 3.93Å; W180-Q221 HydrophobicContact CZ3-CB 4.21Å; N217-Q221 WeakPolarHBondContact O-CB 3.28Å; N217-Q221 WeakPolarHBondContact O-CG 3.45Å; N217-Q221 PolarHBondContact O-N 3.11Å; Y218-Q221 PolarHBondContact O-N 3.47Å; Q221-N224 PolarHBondContact O-N 3.46Å
222I91.6Very high91.8Very high2 Ų249.9 Ų49.91%0.0126%0.258CS..Hα-helixtrans-72.5-28.5-178.363.6171.4000112.9W180 Y218 L219 N224 I225 Y228 L230 L258W180-I222 HydrophobicContact CH2-CG2 3.25Å; W180-I222 HydrophobicContact CZ2-CG2 4.02Å; W180-I222 HydrophobicContact CZ3-CG2 3.78Å; Y218-I222 HydrophobicContact CD1-CD1 4.23Å; Y218-I222 HydrophobicContact CD2-CG2 4.42Å; Y218-I222 HydrophobicContact CE1-CD1 3.63Å; Y218-I222 HydrophobicContact CE1-CG1 4.44Å; Y218-I222 HydrophobicContact CE1-CG2 4.31Å; Y218-I222 HydrophobicContact CE2-CG2 3.94Å; Y218-I222 WeakPolarHBondContact O-CG1 3.42Å; Y218-I222 PolarHBondContact O-N 3.5Å; L219-I222 HydrophobicContact CD2-CD1 4.07Å; L219-I222 WeakPolarHBondContact O-CG1 3.39Å; I222-N224 PolarHBondContact O-N 3.24Å; I222-I225 PolarHBondContact O-N 3.49Å; I222-I225 VanDerWaalsContact O-N 3.12Å; I222-Y228 HydrophobicContact CB-CD1 3.91Å; I222-Y228 HydrophobicContact CB-CD2 4.26Å; I222-Y228 HydrophobicContact CB-CE1 3.95Å; I222-Y228 HydrophobicContact CB-CE2 4.31Å; I222-Y228 HydrophobicContact CB-CG 4.07Å; I222-Y228 HydrophobicContact CD1-CD1 4.27Å; I222-Y228 HydrophobicContact CD1-CE1 4.11Å; I222-Y228 HydrophobicContact CG2-CD1 4.12Å; I222-Y228 HydrophobicContact CG2-CD2 4.19Å; I222-Y228 HydrophobicContact CG2-CE1 3.64Å; I222-Y228 HydrophobicContact CG2-CE2 3.74Å; I222-Y228 HydrophobicContact CG2-CG 4.37Å; I222-Y228 VanDerWaalsContact CG2-CZ 3.44Å; I222-L230 HydrophobicContact CD1-CD2 4.22Å; I222-L258 HydrophobicContact CD1-CD1 3.41Å; I222-L258 VanDerWaalsContact CD1-CD1 3.41Å; I222-L258 HydrophobicContact CG1-CD1 3.58Å
223S90.1Very high91.9Very high14 Ų1449.2 Ų49.210%0.09826%0.256CS..Hα-helixtrans-63.6-29175.469.70000111.8L219 D220 I225 A257L219-S223 VanDerWaalsContact O-CB 3.32Å; L219-S223 WeakPolarHBondContact O-CB 3.42Å; L219-S223 PolarHBondContact O-N 3.28Å; L219-S223 PolarHBondContact O-OG 3.29Å; D220-S223 PolarHBondContact O-OG 3.1Å; S223-I225 VanDerWaalsContact C-N 3.35Å; S223-A257 WeakPolarHBondContact O-CB 3.03Å
224N90.2Very high92.1Very high120 Ų12043.4 Ų43.464%0.64223%0.229SC*.THydrogen-bonded Turntrans-83.1-7.5176.8-72.2-48.9000113.6D220 Q221 I222D220-N224 PolarHBondContact O-ND2 3.3Å; Q221-N224 PolarHBondContact O-N 3.46Å; I222-N224 PolarHBondContact O-N 3.24Å
225I90.4Very high92.2Very high70 Ų7039.8 Ų39.836%0.35922%0.215SC..SBendtrans-95.2113.4178.6-60.8169.8000109.2W180 I222 S223 N227 Y228W180-I225 HydrophobicContact CH2-CD1 4.32Å; W180-I225 HydrophobicContact CZ2-CD1 3.93Å; I222-I225 PolarHBondContact O-N 3.49Å; I222-I225 VanDerWaalsContact O-N 3.12Å; S223-I225 VanDerWaalsContact C-N 3.35Å; I225-N227 PolarHBondContact O-N 3.06Å; I225-Y228 HydrophobicContact CB-CD2 4.14Å; I225-Y228 HydrophobicContact CD1-CD2 4.1Å; I225-Y228 HydrophobicContact CD1-CE2 4.26Å; I225-Y228 HydrophobicContact CG2-CD2 4.01Å; I225-Y228 PolarHBondContact O-N 3.43Å
226P86.4Confident92.2Very high114 Ų11440 Ų4074%0.7422%0.216SC*.THydrogen-bonded Turntrans-63.9139.317927-34000110.9Y228P226-Y228 VanDerWaalsContact C-N 3.25Å; P226-Y228 PolarHBondContact O-N 3.39Å
227N85.1Confident92.1Very high110 Ų11037.6 Ų37.659%0.58821%0.205SC*.THydrogen-bonded Turntrans55.634.4179.3-63.5-14.1000114.5I225I225-N227 PolarHBondContact O-N 3.06Å
228Y89.8Confident91.8Very high13 Ų1333.6 Ų33.65%0.05119%0.185CC..  trans-56.7130.7173.8-166.3-102.2000111.2W180 Q184 Y218 I222 I225 P226 L230 N259 P304W180-Y228 HydrophobicContact CZ2-CE2 4.39Å; Q184-Y228 HydrophobicContact CG-CE2 4.34Å; Q184-Y228 WeakPolarHBondContact CG-OH 2.9Å; Y218-Y228 PolarHBondContact OH-OH 2.78Å; I222-Y228 HydrophobicContact CB-CD1 3.91Å; I222-Y228 HydrophobicContact CB-CD2 4.26Å; I222-Y228 HydrophobicContact CB-CE1 3.95Å; I222-Y228 HydrophobicContact CB-CE2 4.31Å; I222-Y228 HydrophobicContact CB-CG 4.07Å; I222-Y228 HydrophobicContact CD1-CD1 4.27Å; I222-Y228 HydrophobicContact CD1-CE1 4.11Å; I222-Y228 HydrophobicContact CG2-CD1 4.12Å; I222-Y228 HydrophobicContact CG2-CD2 4.19Å; I222-Y228 HydrophobicContact CG2-CE1 3.64Å; I222-Y228 HydrophobicContact CG2-CE2 3.74Å; I222-Y228 HydrophobicContact CG2-CG 4.37Å; I222-Y228 VanDerWaalsContact CG2-CZ 3.44Å; I225-Y228 HydrophobicContact CB-CD2 4.14Å; I225-Y228 HydrophobicContact CD1-CD2 4.1Å; I225-Y228 HydrophobicContact CD1-CE2 4.26Å; I225-Y228 HydrophobicContact CG2-CD2 4.01Å; I225-Y228 PolarHBondContact O-N 3.43Å; P226-Y228 VanDerWaalsContact C-N 3.25Å; P226-Y228 PolarHBondContact O-N 3.39Å; Y228-L230 VanDerWaalsContact C-N 3.26Å; Y228-L230 HydrophobicContact CD1-CB 3.57Å; Y228-L230 HydrophobicContact CE1-CB 3.4Å; Y228-L230 VanDerWaalsContact CE1-CB 3.4Å; Y228-L230 HydrophobicContact CE1-CD2 4.21Å; Y228-L230 HydrophobicContact CE1-CG 4.46Å; Y228-L230 PolarHBondContact O-N 3.47Å; Y228-N259 PolarHBondContact O-ND2 2.83Å; Y228-P304 WeakPolarHBondContact O-CB 3.03Å; Y228-P304 WeakPolarHBondContact O-CG 3.2Å
229P89.5Confident91.2Very high42 Ų4236.7 Ų36.727%0.27321%0.207SC..SBendtrans-72.7-11.9-167.528-36.5000114.7R307P229-R307 VanDerWaalsContact O-CZ 3.24Å; P229-R307 PolarHBondContact O-NH1 2.82Å; P229-R307 PolarHBondContact O-NH2 3.33Å
230L91.9Very high90.9Very high7 Ų738.5 Ų38.54%0.03721%0.214CC..  trans-78.5130-179.9-17766.7000110.7L176 V187 V190 Y218 I222 Y228 I232 N259L176-L230 HydrophobicContact CD1-CD2 3.89Å; V187-L230 HydrophobicContact CG1-CD1 4.04Å; V190-L230 HydrophobicContact CG2-CD1 3.91Å; Y218-L230 HydrophobicContact CE1-CD2 4.42Å; I222-L230 HydrophobicContact CD1-CD2 4.22Å; Y228-L230 VanDerWaalsContact C-N 3.26Å; Y228-L230 HydrophobicContact CD1-CB 3.57Å; Y228-L230 HydrophobicContact CE1-CB 3.4Å; Y228-L230 VanDerWaalsContact CE1-CB 3.4Å; Y228-L230 HydrophobicContact CE1-CD2 4.21Å; Y228-L230 HydrophobicContact CE1-CG 4.46Å; Y228-L230 PolarHBondContact O-N 3.47Å; L230-I232 HydrophobicContact CD2-CD1 3.85Å; L230-I232 HydrophobicContact CD2-CG1 3.95Å; L230-I232 HydrophobicContact CG-CD1 4.35Å; L230-I232 HydrophobicContact CG-CG1 3.97Å; L230-N259 WeakPolarHBondContact O-CB 3.38Å
231V93.3Very high90.8Very high0 Ų034.7 Ų34.70%019%0.193CC..EExtended strand (participates in β ladder)trans-109.1131.3168.5176.20000109.1K188 L189 V190 I233 N259 P304 R307 L308K188-V231 PolarHBondContact O-N 2.85Å; L189-V231 WeakPolarHBondContact CA-O 3.28Å; L189-V231 HydrophobicContact CD1-CB 4.07Å; L189-V231 HydrophobicContact CD1-CG1 3.98Å; V190-V231 PolarHBondContact N-O 3.11Å; V231-I233 HydrophobicContact CG1-CG1 4.37Å; V231-N259 WeakPolarHBondContact CA-O 3.26Å; V231-N259 HydrophobicContact CG2-CB 4.46Å; V231-P304 HydrophobicContact CG2-CB 4.07Å; V231-P304 WeakPolarHBondContact CG2-O 3.16Å; V231-R307 HydrophobicContact CG2-CB 4.11Å; V231-L308 HydrophobicContact CG1-CB 4.11Å; V231-L308 HydrophobicContact CG1-CD1 3.91Å; V231-L308 HydrophobicContact CG2-CB 4.37Å
232I95Very high90.3Very high0 Ų033.1 Ų33.10%018%0.183CC..EExtended strand (participates in β ladder)trans-118.5125.2-179.1-60.1159.4000109.9F173 V190 L219 L230 I251 L258 N259 S260 L261F173-I232 HydrophobicContact CE1-CD1 3.77Å; F173-I232 HydrophobicContact CE1-CG1 4.13Å; F173-I232 HydrophobicContact CE1-CG2 4.19Å; F173-I232 HydrophobicContact CZ-CD1 4.38Å; F173-I232 HydrophobicContact CZ-CG1 4.42Å; F173-I232 HydrophobicContact CZ-CG2 3.68Å; V190-I232 WeakPolarHBondContact O-CA 3.16Å; L219-I232 HydrophobicContact CD2-CD1 4.08Å; L230-I232 HydrophobicContact CD2-CD1 3.85Å; L230-I232 HydrophobicContact CD2-CG1 3.95Å; L230-I232 HydrophobicContact CG-CD1 4.35Å; L230-I232 HydrophobicContact CG-CG1 3.97Å; I232-I251 HydrophobicContact CB-CD1 4.05Å; I232-I251 HydrophobicContact CG2-CD1 3.38Å; I232-L258 HydrophobicContact CD1-CD1 4.39Å; I232-L258 HydrophobicContact CD1-CD2 3.88Å; I232-L258 HydrophobicContact CD1-CG 4.4Å; I232-N259 PolarHBondContact N-O 3.48Å; I232-S260 CarbonylContact O-C 3.59Å; I232-S260 WeakPolarHBondContact O-CA 3.3Å; I232-S260 WeakPolarHBondContact O-CB 3.46Å; I232-L261 PolarHBondContact O-N 3.12Å
233I96.5Very high90.1Very high0 Ų037.4 Ų37.40%021%0.205CC..EExtended strand (participates in β ladder)trans-116.6111.4176.4-53.6171.8000107.7L189 V190 L191 S192 V231 I235 L261 F311 L315L189-I233 HydrophobicContact CD1-CD1 3.85Å; L189-I233 HydrophobicContact CD1-CG1 4.25Å; V190-I233 PolarHBondContact O-N 2.77Å; L191-I233 CarbonylContact C-O 3.41Å; L191-I233 WeakPolarHBondContact CA-O 3.31Å; L191-I233 HydrophobicContact CD1-CD1 4.38Å; L191-I233 HydrophobicContact CG-CB 4.34Å; L191-I233 HydrophobicContact CG-CD1 4.31Å; S192-I233 PolarHBondContact N-O 2.91Å; V231-I233 HydrophobicContact CG1-CG1 4.37Å; I233-I235 HydrophobicContact CG2-CD1 4.08Å; I233-I235 HydrophobicContact CG2-CG1 4.02Å; I233-L261 CarbonylContact C-O 3.59Å; I233-L261 WeakPolarHBondContact CA-O 3.09Å; I233-F311 HydrophobicContact CD1-CB 3.7Å; I233-F311 HydrophobicContact CD1-CD1 3.34Å; I233-F311 HydrophobicContact CD1-CD2 3.32Å; I233-F311 HydrophobicContact CD1-CE1 3.63Å; I233-F311 HydrophobicContact CD1-CE2 3.62Å; I233-F311 HydrophobicContact CD1-CG 3.15Å; I233-F311 HydrophobicContact CD1-CZ 3.77Å; I233-F311 HydrophobicContact CG1-CG 4.38Å; I233-L315 HydrophobicContact CG2-CD1 3.91Å
234S96.4Very high89.9Confident0 Ų036.8 Ų36.80%020%0.2CC..EExtended strand (participates in β ladder)trans-101.7118.2177.5-173.20000109.9G249 L261 S262 L263S234-G249 WeakPolarHBondContact CB-O 3.09Å; S234-G249 PolarHBondContact OG-O 2.67Å; S234-L261 PolarHBondContact N-O 2.87Å; S234-S262 CarbonylContact O-C 3.47Å; S234-S262 WeakPolarHBondContact O-CA 3.45Å; S234-L263 PolarHBondContact O-N 3.5Å
235I96.9Very high89.6Confident0 Ų033.5 Ų33.50%019%0.185CC..EExtended strand (participates in β ladder)trans-119.4115179.8-60.8169.7000108.9S192 L193 A194 I233 L263 T265 I268 I280 L286 L290 L315S192-I235 PolarHBondContact O-N 3.09Å; L193-I235 CarbonylContact C-O 3.59Å; L193-I235 WeakPolarHBondContact CA-O 3.3Å; L193-I235 HydrophobicContact CD2-CB 4.08Å; L193-I235 HydrophobicContact CD2-CD1 4.18Å; A194-I235 PolarHBondContact N-O 2.97Å; I233-I235 HydrophobicContact CG2-CD1 4.08Å; I233-I235 HydrophobicContact CG2-CG1 4.02Å; I235-L263 CarbonylContact C-O 3.58Å; I235-L263 VanDerWaalsContact CA-O 3.25Å; I235-L263 WeakPolarHBondContact CA-O 3.25Å; I235-T265 HydrophobicContact CG2-CG2 3.62Å; I235-I268 HydrophobicContact CD1-CD1 3.84Å; I235-I268 HydrophobicContact CG1-CD1 4.08Å; I235-I268 HydrophobicContact CG2-CD1 3.64Å; I235-I280 HydrophobicContact CG2-CD1 4.36Å; I235-L286 HydrophobicContact CD1-CD1 4.49Å; I235-L286 HydrophobicContact CG2-CD1 4.49Å; I235-L290 HydrophobicContact CD1-CD2 3.59Å; I235-L315 HydrophobicContact CD1-CD1 4.4Å
236T94.2Very high89.3Confident5 Ų532.1 Ų32.13%0.03118%0.179CC..EExtended strand (participates in β ladder)trans-98155.2177.761.80000111.1G238 D246 L263 S264 T265T236-G238 PolarHBondContact O-N 3.29Å; T236-D246 WeakPolarHBondContact CB-OD1 3.26Å; T236-D246 VanDerWaalsContact OG1-CG 3.26Å; T236-D246 PolarHBondContact OG1-OD1 3.12Å; T236-L263 PolarHBondContact N-O 3.08Å; T236-L263 PolarHBondContact OG1-O 3.28Å; T236-S264 CarbonylContact O-C 3.56Å; T236-S264 WeakPolarHBondContact O-CA 3.05Å; T236-T265 WeakPolarHBondContact O-CG2 3.37Å; T236-T265 PolarHBondContact O-N 3.23Å
237G92.1Very high88.8Confident0 Ų029.9 Ų29.90%016%0.16CC..  trans-72.4-5.9-177.200000114.9T265 S274 C275G237-T265 PolarHBondContact O-OG1 3.32Å; G237-S274 CarbonylContact O-C 3.57Å; G237-S274 WeakPolarHBondContact O-CA 3.29Å; G237-C275 CarbonylContact C-O 3.52Å; G237-C275 VanDerWaalsContact CA-O 3.31Å; G237-C275 WeakPolarHBondContact CA-O 3.41Å; G237-C275 PolarHBondContact O-N 3.36Å
238G87.6Confident88.8Confident3 Ų325.7 Ų25.73%0.03114%0.138CC..G310 helixtrans74.2-158.7-175.200000112.4T236 R240 D241 D246T236-G238 PolarHBondContact O-N 3.29Å; G238-R240 PolarHBondContact O-N 3.07Å; G238-D241 PolarHBondContact O-N 3.03Å; G238-D246 WeakPolarHBondContact CA-OD1 3.13Å; G238-D246 WeakPolarHBondContact CA-OD2 3.26Å; G238-D246 PolarHBondContact N-OD1 3.35Å
239S81.5Confident88.7Confident71 Ų7125 Ų2550%0.49714%0.135SC..G310 helixtrans-55.9-21.6-174.461.30000115.9E33 S274E33-S239 PolarHBondContact OE2-OG 3.41Å; S239-S274 PolarHBondContact OG-OG 2.98Å
240R86.8Confident88.4Confident39 Ų3924.7 Ų24.715%0.14713%0.131CC..G310 helixtrans-86.4-19.5179-75.9-178.559.372.410.6113.4E33 G238 R242 S274 D276E33-R240 HydrophobicContact CB-CG 4.24Å; E33-R240 WeakPolarHBondContact O-CD 3.47Å; E33-R240 PolarHBondContact O-NH1 3.05Å; G238-R240 PolarHBondContact O-N 3.07Å; R240-R242 PolarHBondContact O-N 3Å; R240-R242 VanDerWaalsContact O-N 3.11Å; R240-S274 WeakPolarHBondContact CD-O 3.39Å; R240-S274 VanDerWaalsContact CD-OG 3.24Å; R240-S274 WeakPolarHBondContact CD-OG 3.36Å; R240-S274 VanDerWaalsContact CG-OG 3.29Å; R240-S274 WeakPolarHBondContact CG-OG 3.45Å; R240-D276 HydrophobicContact CB-CB 4.36Å; R240-D276 IonicContact CZ-OD2 3.44Å; R240-D276 IonicContact NH2-OD2 3.7Å; R240-D276 PolarHBondContact NH2-OD2 3.47Å; R240-D276 WeakPolarHBondContact O-CA 3.19Å
241D89.8Confident88.2Confident6 Ų624.3 Ų24.33%0.03213%0.129CC..  trans-79.495.9172.4-164.3-20.1000109.8A194 G238 I243 V244 C275 H277A194-D241 VanDerWaalsContact CB-OD2 3.32Å; A194-D241 WeakPolarHBondContact CB-OD2 2.96Å; G238-D241 PolarHBondContact O-N 3.03Å; D241-I243 VanDerWaalsContact C-N 3.31Å; D241-I243 PolarHBondContact OD1-N 3.42Å; D241-V244 PolarHBondContact OD1-N 2.77Å; D241-C275 PolarHBondContact N-O 3.07Å; D241-H277 WeakPolarHBondContact OD1-CB 3.17Å; D241-H277 IonicContact OD1-CG 3.37Å; D241-H277 IonicContact OD1-ND1 2.8Å; D241-H277 PolarHBondContact OD1-ND1 3.12Å; D241-H277 IonicContact OD2-CE1 3.23Å; D241-H277 IonicContact OD2-CG 2.55Å; D241-H277 IonicContact OD2-ND1 3.8Å; D241-H277 PolarHBondContact OD2-ND1 2.87Å
242R81.8Confident87.7Confident79 Ų7925.9 Ų25.930%0.29814%0.137SC..SBendtrans-83.9-7.2178.6-65.9176.4171.7168.7-2.5113.1W28 Y29 R240W28-R242 HydrophobicContact CH2-CB 4.02Å; W28-R242 HydrophobicContact CH2-CG 4.02Å; W28-R242 HydrophobicContact CZ2-CB 4.02Å; W28-R242 HydrophobicContact CZ2-CG 3.71Å; W28-R242 PolarHBondContact O-NH2 3.38Å; Y29-R242 PolarHBondContact O-NH1 3.06Å; Y29-R242 PolarHBondContact O-NH2 3.03Å; R240-R242 PolarHBondContact O-N 3Å; R240-R242 VanDerWaalsContact O-N 3.11Å
243I85.7Confident86.7Confident93 Ų9328.9 Ų28.948%0.47715%0.151SC..SBendtrans-93.6-47.7-179.3-58.1-176.4000109.2V201 D241 P245 H277V201-I243 WeakPolarHBondContact CG1-O 3.21Å; V201-I243 WeakPolarHBondContact CG2-O 3.35Å; D241-I243 VanDerWaalsContact C-N 3.31Å; D241-I243 PolarHBondContact OD1-N 3.42Å; I243-P245 WeakPolarHBondContact O-CD 3.49Å; I243-H277 HydrophobicContact CB-CB 4.32Å; I243-H277 HydrophobicContact CD1-CB 3.85Å; I243-H277 HydrophobicContact CG1-CB 4.2Å
244V87.3Confident85.8Confident0 Ų030.8 Ų30.80%017%0.167CC..SBendtrans-119.994.8179.7-176.60000108.9A194 P196 V201 D241 L248A194-V244 WeakPolarHBondContact O-CG2 3.2Å; P196-V244 HydrophobicContact CB-CG1 3.94Å; P196-V244 HydrophobicContact CB-CG2 4.36Å; P196-V244 HydrophobicContact CG-CG2 4.41Å; V201-V244 HydrophobicContact CG2-CG2 3.87Å; D241-V244 PolarHBondContact OD1-N 2.77Å; V244-L248 HydrophobicContact CG1-CB 4.17Å
245P82.6Confident85.3Confident51 Ų5132.1 Ų32.133%0.33117%0.173SC..  trans-59.6150.3172.7-2333.6000111.9I243 L247 L248I243-P245 WeakPolarHBondContact O-CD 3.49Å; P245-L247 PolarHBondContact O-N 2.85Å; P245-L248 PolarHBondContact O-N 2.86Å
246D84.2Confident84.5Confident42 Ų4237.6 Ų37.623%0.22521%0.208CC..Hα-helixtrans-52.1-34.9-178.8-66.8-20.2000113.4T236 G238 L248 G249 N250T236-D246 WeakPolarHBondContact CB-OD1 3.26Å; T236-D246 VanDerWaalsContact OG1-CG 3.26Å; T236-D246 PolarHBondContact OG1-OD1 3.12Å; G238-D246 WeakPolarHBondContact CA-OD1 3.13Å; G238-D246 WeakPolarHBondContact CA-OD2 3.26Å; G238-D246 PolarHBondContact N-OD1 3.35Å; D246-L248 PolarHBondContact O-N 2.04Å; D246-G249 PolarHBondContact O-N 2.74Å; D246-G249 VanDerWaalsContact O-N 3.07Å; D246-N250 PolarHBondContact O-N 3.11Å
247L77.5Confident84.1Confident67 Ų6740.8 Ų40.835%0.35124%0.235SC..Hα-helixtrans-55.6-36.8177.6-178.861.6000113P245 G249 S595P245-L247 PolarHBondContact O-N 2.85Å; L247-G249 VanDerWaalsContact C-N 3.29Å; L247-G249 PolarHBondContact O-N 2.89Å; L247-S595 VanDerWaalsContact CD1-OG 3.28Å; L247-S595 WeakPolarHBondContact CD1-OG 3.43Å
248L85.2Confident83.9Confident21 Ų2141.4 Ų41.411%0.1124%0.238CC..Hα-helixtrans-76.9-17.4-177.8-57-174.2000112.8P196 I197 Y198 Q199 V201 V244 P245 D246P196-L248 CarbonylContact C-O 3.57Å; P196-L248 VanDerWaalsContact C-O 3.23Å; P196-L248 WeakPolarHBondContact CA-O 3.13Å; P196-L248 HydrophobicContact CB-CB 4.12Å; P196-L248 HydrophobicContact CB-CD1 4.33Å; I197-L248 PolarHBondContact N-O 3.22Å; Y198-L248 WeakPolarHBondContact CB-O 3.32Å; Y198-L248 PolarHBondContact N-O 2.75Å; Q199-L248 HydrophobicContact CB-CD2 4.06Å; V201-L248 HydrophobicContact CG2-CD1 4Å; V244-L248 HydrophobicContact CG1-CB 4.17Å; P245-L248 PolarHBondContact O-N 2.86Å; D246-L248 PolarHBondContact O-N 2.04Å
249G87.4Confident84.1Confident0 Ų042.6 Ų42.60%024%0.244CC..Hα-helixtrans-100.6-10.1177.800000114.3G195 S234 D246 L247 I251G195-G249 WeakPolarHBondContact O-CA 3.36Å; S234-G249 WeakPolarHBondContact CB-O 3.09Å; S234-G249 PolarHBondContact OG-O 2.67Å; D246-G249 PolarHBondContact O-N 2.74Å; D246-G249 VanDerWaalsContact O-N 3.07Å; L247-G249 VanDerWaalsContact C-N 3.29Å; L247-G249 PolarHBondContact O-N 2.89Å; G249-I251 PolarHBondContact O-N 3.28Å
250N83.5Confident84.6Confident34 Ų3439.3 Ų39.318%0.18222%0.221CC..  trans-81.796.2-175.6-172.42.3000111.7D246 Q253 S262D246-N250 PolarHBondContact O-N 3.11Å; N250-Q253 PolarHBondContact ND2-OE1 3.28Å; N250-S262 WeakPolarHBondContact OD1-CB 2.98Å
251I86.3Confident84.9Confident0 Ų037.5 Ų37.50%021%0.214CC..  trans-94.9-27.2-178.156.4168.1000113.1I197 I232 G249 Q253 A254 Y255 L258 S262I197-I251 HydrophobicContact CB-CG2 3.75Å; I197-I251 HydrophobicContact CD1-CD1 4.41Å; I197-I251 HydrophobicContact CD1-CG2 4.1Å; I197-I251 HydrophobicContact CG2-CG2 3.66Å; I232-I251 HydrophobicContact CB-CD1 4.05Å; I232-I251 HydrophobicContact CG2-CD1 3.38Å; G249-I251 PolarHBondContact O-N 3.28Å; I251-Q253 PolarHBondContact O-N 2.68Å; I251-A254 PolarHBondContact O-N 2.68Å; I251-A254 VanDerWaalsContact O-N 3.09Å; I251-Y255 PolarHBondContact O-N 3.5Å; I251-L258 HydrophobicContact CD1-CD2 4.16Å; I251-S262 WeakPolarHBondContact CG1-OG 3.24Å; I251-S262 PolarHBondContact N-OG 3.3Å; I251-S262 VanDerWaalsContact N-OG 3.1Å
252D82.4Confident85.1Confident32 Ų3237.5 Ų37.517%0.17122%0.215CC..THydrogen-bonded Turntrans-61.9-37.8-176.8-64.310.1000111A254 Y255 P256 S260 L261 S262D252-A254 VanDerWaalsContact C-N 3.35Å; D252-Y255 CarbonylContact O-C 3.55Å; D252-Y255 VanDerWaalsContact O-C 3.3Å; D252-Y255 PolarHBondContact O-N 3.13Å; D252-P256 VanDerWaalsContact O-CA 3.29Å; D252-P256 WeakPolarHBondContact O-CA 3.31Å; D252-S260 WeakPolarHBondContact OD1-CB 3.43Å; D252-S260 PolarHBondContact OD1-OG 2.71Å; D252-L261 PolarHBondContact OD1-N 3.09Å; D252-L261 VanDerWaalsContact OD2-C 3.31Å; D252-L261 WeakPolarHBondContact OD2-CA 3.4Å; D252-S262 VanDerWaalsContact CG-OG 3.23Å; D252-S262 PolarHBondContact N-OG 3.32Å; D252-S262 PolarHBondContact OD1-N 2.89Å; D252-S262 VanDerWaalsContact OD1-N 3.16Å; D252-S262 PolarHBondContact OD1-OG 3.17Å; D252-S262 PolarHBondContact OD2-N 3.32Å
253Q74.9Confident85.6Confident63 Ų6334.1 Ų34.129%0.29420%0.202SC..THydrogen-bonded Turntrans-70.2-33.8178.6-174.4174.8-8.200112.3N250 I251 S595N250-Q253 PolarHBondContact ND2-OE1 3.28Å; I251-Q253 PolarHBondContact O-N 2.68Å; Q253-S595 PolarHBondContact NE2-O 3.47Å
254A78Confident85.9Confident41 Ų4129.9 Ų29.934%0.33918%0.181SC..THydrogen-bonded Turntrans-76.4-33.9176.900000111.8Y198 I251 D252Y198-A254 HydrophobicContact CD2-CB 3.92Å; Y198-A254 HydrophobicContact CE2-CB 3.84Å; I251-A254 PolarHBondContact O-N 2.68Å; I251-A254 VanDerWaalsContact O-N 3.09Å; D252-A254 VanDerWaalsContact C-N 3.35Å
255Y85.5Confident86.3Confident28 Ų2829.9 Ų29.911%0.1118%0.181CC..  trans-131.772.9-175.3-56.6-77.6000111.5H216 L219 D220 I251 D252 A257 L258H216-Y255 PolarHBondContact ND1-OH 3.34Å; L219-Y255 HydrophobicContact CB-CD1 4.35Å; L219-Y255 HydrophobicContact CB-CD2 4.19Å; L219-Y255 HydrophobicContact CB-CE1 4.03Å; L219-Y255 HydrophobicContact CB-CE2 3.86Å; L219-Y255 HydrophobicContact CB-CG 4.42Å; L219-Y255 HydrophobicContact CD1-CD2 4.22Å; L219-Y255 HydrophobicContact CD1-CE2 3.75Å; L219-Y255 HydrophobicContact CG-CE2 4.46Å; D220-Y255 HydrophobicContact CB-CE1 4.06Å; I251-Y255 PolarHBondContact O-N 3.5Å; D252-Y255 CarbonylContact O-C 3.55Å; D252-Y255 VanDerWaalsContact O-C 3.3Å; D252-Y255 PolarHBondContact O-N 3.13Å; Y255-A257 PolarHBondContact O-N 2.91Å; Y255-A257 VanDerWaalsContact O-N 3.16Å; Y255-L258 WeakPolarHBondContact O-CB 3.29Å; Y255-L258 PolarHBondContact O-N 2.97Å
256P80.8Confident86.7Confident115 Ų11527.6 Ų27.675%0.74717%0.166SC*.THydrogen-bonded Turntrans-66.3-20.9-172.225.3-35.5000114.9D252 L258D252-P256 VanDerWaalsContact O-CA 3.29Å; D252-P256 WeakPolarHBondContact O-CA 3.31Å; P256-L258 VanDerWaalsContact C-N 3.3Å
257A85.4Confident87.1Confident71 Ų7125.6 Ų25.659%0.58716%0.156SC*.THydrogen-bonded Turntrans-82.6-7.517600000113.4S223 Y255S223-A257 WeakPolarHBondContact O-CB 3.03Å; Y255-A257 PolarHBondContact O-N 2.91Å; Y255-A257 VanDerWaalsContact O-N 3.16Å
258L87.9Confident87.9Confident13 Ų1322.4 Ų22.47%0.06814%0.139CC..SBendtrans-74.2145.5179.8-169.571.1000110.7L219 I222 I232 I251 Y255 P256 S260L219-L258 HydrophobicContact CD2-CD2 4.28Å; I222-L258 HydrophobicContact CD1-CD1 3.41Å; I222-L258 VanDerWaalsContact CD1-CD1 3.41Å; I222-L258 HydrophobicContact CG1-CD1 3.58Å; I232-L258 HydrophobicContact CD1-CD1 4.39Å; I232-L258 HydrophobicContact CD1-CD2 3.88Å; I232-L258 HydrophobicContact CD1-CG 4.4Å; I251-L258 HydrophobicContact CD1-CD2 4.16Å; Y255-L258 WeakPolarHBondContact O-CB 3.29Å; Y255-L258 PolarHBondContact O-N 2.97Å; P256-L258 VanDerWaalsContact C-N 3.3Å; L258-S260 PolarHBondContact O-N 3.19Å
259N91.5Very high88.2Confident28 Ų2822.8 Ų22.815%0.1514%0.14CC..SBendtrans-74.363.8168.8-71.6-37.1000110.7Y228 L230 V231 I232 L308Y228-N259 PolarHBondContact O-ND2 2.83Å; L230-N259 WeakPolarHBondContact O-CB 3.38Å; V231-N259 WeakPolarHBondContact CA-O 3.26Å; V231-N259 HydrophobicContact CG2-CB 4.46Å; I232-N259 PolarHBondContact N-O 3.48Å; N259-L308 HydrophobicContact CB-CD2 4.3Å
260S92.8Very high88.3Confident3 Ų326.7 Ų26.72%0.02116%0.155CC..EExtended strand (participates in β ladder)trans-123159.3-177.566.20000114.2I232 D252 L258I232-S260 CarbonylContact O-C 3.59Å; I232-S260 WeakPolarHBondContact O-CA 3.3Å; I232-S260 WeakPolarHBondContact O-CB 3.46Å; D252-S260 WeakPolarHBondContact OD1-CB 3.43Å; D252-S260 PolarHBondContact OD1-OG 2.71Å; L258-S260 PolarHBondContact O-N 3.19Å
261L93.3Very high88.8Confident1 Ų125.4 Ų25.41%0.00515%0.149CC..EExtended strand (participates in β ladder)trans-138.1114174.2-179.558.9000109.7I232 I233 S234 D252 L263 L308 F311 R312 L315 I316I232-L261 PolarHBondContact O-N 3.12Å; I233-L261 CarbonylContact C-O 3.59Å; I233-L261 WeakPolarHBondContact CA-O 3.09Å; S234-L261 PolarHBondContact N-O 2.87Å; D252-L261 PolarHBondContact OD1-N 3.09Å; D252-L261 VanDerWaalsContact OD2-C 3.31Å; D252-L261 WeakPolarHBondContact OD2-CA 3.4Å; L261-L263 HydrophobicContact CD1-CD1 4.07Å; L261-L263 HydrophobicContact CD1-CD2 3.87Å; L261-L263 HydrophobicContact CD1-CG 3.93Å; L261-L263 HydrophobicContact CD2-CD1 3.8Å; L261-L263 HydrophobicContact CD2-CG 4.49Å; L261-L263 HydrophobicContact CG-CD1 3.73Å; L261-L263 HydrophobicContact CG-CD2 4.37Å; L261-L263 HydrophobicContact CG-CG 3.87Å; L261-L308 HydrophobicContact CB-CD1 3.81Å; L261-F311 HydrophobicContact CD2-CB 4.16Å; L261-R312 HydrophobicContact CD1-CG 4.25Å; L261-R312 HydrophobicContact CD2-CG 3.99Å; L261-L315 HydrophobicContact CD2-CD1 4.19Å; L261-I316 HydrophobicContact CD1-CD1 3.95Å; L261-I316 HydrophobicContact CD1-CG1 4.23Å
262S92.7Very high89.1Confident6 Ų626 Ų264%0.04215%0.151CC..EExtended strand (participates in β ladder)trans-111.7121.2-179.3-620000109.9S234 N250 I251 D252S234-S262 CarbonylContact O-C 3.47Å; S234-S262 WeakPolarHBondContact O-CA 3.45Å; N250-S262 WeakPolarHBondContact OD1-CB 2.98Å; I251-S262 WeakPolarHBondContact CG1-OG 3.24Å; I251-S262 PolarHBondContact N-OG 3.3Å; I251-S262 VanDerWaalsContact N-OG 3.1Å; D252-S262 VanDerWaalsContact CG-OG 3.23Å; D252-S262 PolarHBondContact N-OG 3.32Å; D252-S262 PolarHBondContact OD1-N 2.89Å; D252-S262 VanDerWaalsContact OD1-N 3.16Å; D252-S262 PolarHBondContact OD1-OG 3.17Å; D252-S262 PolarHBondContact OD2-N 3.32Å
263L92.7Very high89.5Confident7 Ų724.5 Ų24.54%0.03714%0.143CC..EExtended strand (participates in β ladder)trans-144.1153.1-172.8-55.9170.2000110.7S234 I235 T236 L261 I268 L315 I316 N573S234-L263 PolarHBondContact O-N 3.5Å; I235-L263 CarbonylContact C-O 3.58Å; I235-L263 VanDerWaalsContact CA-O 3.25Å; I235-L263 WeakPolarHBondContact CA-O 3.25Å; T236-L263 PolarHBondContact N-O 3.08Å; T236-L263 PolarHBondContact OG1-O 3.28Å; L261-L263 HydrophobicContact CD1-CD1 4.07Å; L261-L263 HydrophobicContact CD1-CD2 3.87Å; L261-L263 HydrophobicContact CD1-CG 3.93Å; L261-L263 HydrophobicContact CD2-CD1 3.8Å; L261-L263 HydrophobicContact CD2-CG 4.49Å; L261-L263 HydrophobicContact CG-CD1 3.73Å; L261-L263 HydrophobicContact CG-CD2 4.37Å; L261-L263 HydrophobicContact CG-CG 3.87Å; L263-I268 HydrophobicContact CB-CG1 4.48Å; L263-I268 HydrophobicContact CD1-CG1 4.39Å; L263-L315 HydrophobicContact CD1-CB 3.57Å; L263-L315 HydrophobicContact CD1-CD1 4Å; L263-L315 HydrophobicContact CD1-CG 4.43Å; L263-I316 HydrophobicContact CD1-CG1 4.45Å; L263-I316 HydrophobicContact CD2-CG1 4.12Å; L263-N573 HydrophobicContact CD2-CB 3.26Å
264S92.7Very high90.3Very high5 Ų521.5 Ų21.54%0.03513%0.13CC..EExtended strand (participates in β ladder)trans-91.5153.8163.566.30000110.6T236 S266 A267 I268T236-S264 CarbonylContact O-C 3.56Å; T236-S264 WeakPolarHBondContact O-CA 3.05Å; S264-S266 PolarHBondContact O-N 2.93Å; S264-S266 VanDerWaalsContact O-N 3.14Å; S264-S266 PolarHBondContact OG-OG 3.12Å; S264-A267 WeakPolarHBondContact O-CB 3.22Å; S264-A267 PolarHBondContact O-N 3.2Å; S264-I268 PolarHBondContact O-N 2.84Å
265T94.9Very high91Very high0 Ų019.6 Ų19.60%011%0.113CC..G310 helixtrans-59.7-26.6176.958.80000113I235 T236 G237 A267 I268 V271 A273 C275 I280 L286I235-T265 HydrophobicContact CG2-CG2 3.62Å; T236-T265 WeakPolarHBondContact O-CG2 3.37Å; T236-T265 PolarHBondContact O-N 3.23Å; G237-T265 PolarHBondContact O-OG1 3.32Å; T265-A267 PolarHBondContact O-N 3.22Å; T265-I268 PolarHBondContact O-N 3.4Å; T265-V271 WeakPolarHBondContact O-CG1 3.41Å; T265-A273 CarbonylContact C-O 3.6Å; T265-A273 VanDerWaalsContact C-O 3.28Å; T265-A273 VanDerWaalsContact CB-O 3.24Å; T265-A273 WeakPolarHBondContact CB-O 3.32Å; T265-A273 PolarHBondContact OG1-O 3.16Å; T265-C275 HydrophobicContact CG2-CB 4.32Å; T265-C275 PolarHBondContact OG1-N 2.98Å; T265-I280 HydrophobicContact CG2-CD1 4.11Å; T265-I280 HydrophobicContact CG2-CG1 4.1Å; T265-L286 HydrophobicContact CG2-CD1 4.47Å; T265-L286 HydrophobicContact CG2-CD2 3.84Å
266S91.6Very high91.4Very high2 Ų220.2 Ų20.21%0.01412%0.119CC..G310 helixtrans-69.3-24174.366.70000112.9S264 W272 A273 F575S264-S266 PolarHBondContact O-N 2.93Å; S264-S266 VanDerWaalsContact O-N 3.14Å; S264-S266 PolarHBondContact OG-OG 3.12Å; S266-W272 WeakPolarHBondContact O-CA 3.28Å; S266-A273 PolarHBondContact N-O 3.44Å; S266-F575 CarbonylContact C-O 3.52Å; S266-F575 PolarHBondContact OG-O 2.87Å
267A91.9Very high92Very high1 Ų115.8 Ų15.81%0.0089%0.088CC..G310 helixtrans-87.5-11.9178.400000113.9S264 T265 T317 N573 F575S264-A267 WeakPolarHBondContact O-CB 3.22Å; S264-A267 PolarHBondContact O-N 3.2Å; T265-A267 PolarHBondContact O-N 3.22Å; A267-T317 WeakPolarHBondContact O-CB 3.45Å; A267-T317 PolarHBondContact O-N 3.43Å; A267-T317 PolarHBondContact O-OG1 3.35Å; A267-N573 WeakPolarHBondContact CB-O 3.24Å; A267-F575 HydrophobicContact CB-CB 4.01Å; A267-F575 PolarHBondContact N-O 3.31Å
268I94.3Very high92.4Very high0 Ų021.7 Ų21.70%010%0.095CC..BIsolated β-bridgetrans-75.9128.6-177.9-61.9174.8000110.7I235 L263 S264 T265 V271 W272 L286 V289 L315I235-I268 HydrophobicContact CD1-CD1 3.84Å; I235-I268 HydrophobicContact CG1-CD1 4.08Å; I235-I268 HydrophobicContact CG2-CD1 3.64Å; L263-I268 HydrophobicContact CB-CG1 4.48Å; L263-I268 HydrophobicContact CD1-CG1 4.39Å; S264-I268 PolarHBondContact O-N 2.84Å; T265-I268 PolarHBondContact O-N 3.4Å; I268-V271 HydrophobicContact CB-CB 3.98Å; I268-V271 HydrophobicContact CB-CG2 3.91Å; I268-V271 HydrophobicContact CG2-CB 4.14Å; I268-V271 HydrophobicContact CG2-CG2 3.53Å; I268-V271 WeakPolarHBondContact O-CB 3.23Å; I268-V271 PolarHBondContact O-N 3.33Å; I268-V271 VanDerWaalsContact O-N 3.07Å; I268-W272 PolarHBondContact O-N 3.35Å; I268-L286 HydrophobicContact CD1-CD1 3.65Å; I268-V289 HydrophobicContact CG2-CG1 4.11Å; I268-L315 CarbonylContact C-O 3.54Å; I268-L315 WeakPolarHBondContact CA-O 3.45Å; I268-L315 HydrophobicContact CG2-CB 4.4Å; I268-L315 HydrophobicContact CG2-CD2 3.79Å
269Q91Very high92.7Very high28 Ų2821 Ų2113%0.1319%0.092CC..THydrogen-bonded Turntrans-56.2139.1176.2-164.4-176.242.800111V271 W272 L315 T317Q269-V271 PolarHBondContact O-N 2.88Å; Q269-W272 HydrophobicContact CG-CZ2 4.05Å; Q269-L315 PolarHBondContact N-O 2.68Å; Q269-T317 WeakPolarHBondContact CA-OG1 3.39Å; Q269-T317 PolarHBondContact N-OG1 3.36Å
270Y90.9Very high93Very high82 Ų8219.7 Ų19.732%0.3229%0.085SC..THydrogen-bonded Turntrans64.8-9.3-173.6-50.9-80.5000116.2V289 L424Y270-V289 HydrophobicContact CD2-CG2 4.5Å; Y270-L424 HydrophobicContact CE1-CD1 3.77Å; Y270-L424 HydrophobicContact CE2-CD1 4.32Å; Y270-L424 VanDerWaalsContact CZ-CD1 3.46Å; Y270-L424 WeakPolarHBondContact OH-CD1 3.49Å
271V93.5Very high93.2Very high8 Ų820.5 Ų20.55%0.0489%0.088CC..THydrogen-bonded Turntrans-93.9-61.5174.2-175.60000109.6T265 I268 Q269 A273 Q285 L286 V289T265-V271 WeakPolarHBondContact O-CG1 3.41Å; I268-V271 HydrophobicContact CB-CB 3.98Å; I268-V271 HydrophobicContact CB-CG2 3.91Å; I268-V271 HydrophobicContact CG2-CB 4.14Å; I268-V271 HydrophobicContact CG2-CG2 3.53Å; I268-V271 WeakPolarHBondContact O-CB 3.23Å; I268-V271 PolarHBondContact O-N 3.33Å; I268-V271 VanDerWaalsContact O-N 3.07Å; Q269-V271 PolarHBondContact O-N 2.88Å; V271-A273 HydrophobicContact CG1-CB 4.41Å; V271-A273 WeakPolarHBondContact O-CB 3.43Å; V271-A273 PolarHBondContact O-N 3.05Å; V271-Q285 HydrophobicContact CB-CB 4.33Å; V271-Q285 HydrophobicContact CG1-CB 4.32Å; V271-Q285 HydrophobicContact CG2-CB 4.12Å; V271-L286 HydrophobicContact CG1-CB 4.35Å; V271-L286 HydrophobicContact CG2-CB 4.25Å; V271-L286 HydrophobicContact CG2-CD1 4.34Å; V271-V289 HydrophobicContact CG2-CG2 4.24Å
272W92.2Very high93.3Very high11 Ų1123.6 Ų23.64%0.04210%0.1CC..  trans44.626179.3-56.2-52.8000115.5R36 S266 I268 Q269 T317 L424 L425 P426 F575 Y577R36-W272 PolarHBondContact NH2-O 2.8Å; S266-W272 WeakPolarHBondContact O-CA 3.28Å; I268-W272 PolarHBondContact O-N 3.35Å; Q269-W272 HydrophobicContact CG-CZ2 4.05Å; W272-T317 PolarHBondContact NE1-OG1 3.19Å; W272-L424 HydrophobicContact CH2-CB 4.15Å; W272-L424 HydrophobicContact CZ2-CB 4.29Å; W272-L424 VanDerWaalsContact CZ2-O 3.29Å; W272-L424 WeakPolarHBondContact CZ2-O 3.44Å; W272-L425 VanDerWaalsContact CH2-C 3.41Å; W272-L425 WeakPolarHBondContact CH2-O 3.28Å; W272-P426 HydrophobicContact CB-CB 4.22Å; W272-P426 HydrophobicContact CB-CG 4.44Å; W272-P426 HydrophobicContact CD2-CB 3.76Å; W272-P426 HydrophobicContact CD2-CG 4.07Å; W272-P426 VanDerWaalsContact CE3-CA 3.43Å; W272-P426 HydrophobicContact CE3-CB 3.48Å; W272-P426 VanDerWaalsContact CE3-CB 3.48Å; W272-P426 HydrophobicContact CE3-CG 4.28Å; W272-P426 HydrophobicContact CG-CB 4.12Å; W272-P426 HydrophobicContact CG-CG 4.18Å; W272-P426 VanDerWaalsContact CZ3-CA 3.44Å; W272-P426 HydrophobicContact CZ3-CB 4.06Å; W272-F575 AromaticContact CD1-CD1 3.84Å; W272-F575 AromaticContact CD1-CE1 3.54Å; W272-F575 HydrophobicContact CG-CE1 4.3Å; W272-F575 AromaticContact NE1-CE1 3.97Å; W272-Y577 HydrophobicContact CB-CD1 3.68Å; W272-Y577 HydrophobicContact CB-CE1 3.39Å; W272-Y577 HydrophobicContact CG-CD1 4.47Å; W272-Y577 HydrophobicContact CG-CE1 4.4Å; W272-Y577 WeakPolarHBondContact O-CD1 3.41Å; W272-Y577 WeakPolarHBondContact O-CE1 3.32Å
273A90.9Very high93.5Very high1 Ų123.3 Ų23.31%0.00810%0.098CC..  trans-129.6131.1-173.600000109.6R36 T265 S266 V271R36-A273 HydrophobicContact CB-CB 3.92Å; T265-A273 CarbonylContact C-O 3.6Å; T265-A273 VanDerWaalsContact C-O 3.28Å; T265-A273 VanDerWaalsContact CB-O 3.24Å; T265-A273 WeakPolarHBondContact CB-O 3.32Å; T265-A273 PolarHBondContact OG1-O 3.16Å; S266-A273 PolarHBondContact N-O 3.44Å; V271-A273 HydrophobicContact CG1-CB 4.41Å; V271-A273 WeakPolarHBondContact O-CB 3.43Å; V271-A273 PolarHBondContact O-N 3.05Å
274S91Very high93.6Very high1 Ų124.8 Ų24.81%0.00711%0.106CC..  trans-70.2139.4166.953.40000109.6E33 G237 S239 R240E33-S274 PolarHBondContact OE1-OG 2.81Å; E33-S274 PolarHBondContact OE2-OG 2.85Å; G237-S274 CarbonylContact O-C 3.57Å; G237-S274 WeakPolarHBondContact O-CA 3.29Å; S239-S274 PolarHBondContact OG-OG 2.98Å; R240-S274 WeakPolarHBondContact CD-O 3.39Å; R240-S274 VanDerWaalsContact CD-OG 3.24Å; R240-S274 WeakPolarHBondContact CD-OG 3.36Å; R240-S274 VanDerWaalsContact CG-OG 3.29Å; R240-S274 WeakPolarHBondContact CG-OG 3.45Å
275C93.7Very high93.7Very high0 Ų026.2 Ų26.20%011%0.112CC..  trans-111.9134.9177.8-66.50000109C37 G237 D241 T265 C279 I280C37-C275 PolarHBondContact SG-SG 2.85Å; G237-C275 CarbonylContact C-O 3.52Å; G237-C275 VanDerWaalsContact CA-O 3.31Å; G237-C275 WeakPolarHBondContact CA-O 3.41Å; G237-C275 PolarHBondContact O-N 3.36Å; D241-C275 PolarHBondContact N-O 3.07Å; T265-C275 HydrophobicContact CG2-CB 4.32Å; T265-C275 PolarHBondContact OG1-N 2.98Å; C275-C279 HydrophobicContact CB-CB 4.06Å; C275-I280 HydrophobicContact CB-CB 3.96Å; C275-I280 HydrophobicContact CB-CG1 4.49Å
276D93.1Very high93.8Very high41 Ų4126.2 Ų26.222%0.21911%0.112CC..  trans-68168.6160.960.962.6000110.9R240 R278 C279 I280R240-D276 HydrophobicContact CB-CB 4.36Å; R240-D276 IonicContact CZ-OD2 3.44Å; R240-D276 IonicContact NH2-OD2 3.7Å; R240-D276 PolarHBondContact NH2-OD2 3.47Å; R240-D276 WeakPolarHBondContact O-CA 3.19Å; D276-R278 PolarHBondContact O-N 2.87Å; D276-R278 PolarHBondContact OD1-N 3.42Å; D276-C279 HydrophobicContact CB-CB 4.4Å; D276-C279 VanDerWaalsContact CG-CB 3.42Å; D276-C279 WeakPolarHBondContact O-CB 3.34Å; D276-C279 PolarHBondContact O-N 3.26Å; D276-C279 WeakPolarHBondContact OD1-CB 3.26Å; D276-C279 PolarHBondContact OD1-N 2.79Å; D276-I280 PolarHBondContact O-N 3.3Å; D276-I280 VanDerWaalsContact O-N 3.16Å
277H94.3Very high94Very high23 Ų2326.3 Ų26.311%0.10611%0.112CC..THydrogen-bonded Turntrans-54.2-27.9-173.1-162.965.8000114.3H165 S166 D241 I243 I280H165-H277 AromaticContact CE1-NE2 3.79Å; H165-H277 AromaticContact NE2-NE2 4Å; H165-H277 PolarHBondContact NE2-O 2.81Å; S166-H277 VanDerWaalsContact CB-NE2 3.29Å; S166-H277 WeakPolarHBondContact CB-NE2 3.42Å; S166-H277 PolarHBondContact OG-CE1 2.94Å; S166-H277 VanDerWaalsContact OG-CE1 3.24Å; S166-H277 PolarHBondContact OG-NE2 2.81Å; D241-H277 WeakPolarHBondContact OD1-CB 3.17Å; D241-H277 IonicContact OD1-CG 3.37Å; D241-H277 IonicContact OD1-ND1 2.8Å; D241-H277 PolarHBondContact OD1-ND1 3.12Å; D241-H277 IonicContact OD2-CE1 3.23Å; D241-H277 IonicContact OD2-CG 2.55Å; D241-H277 IonicContact OD2-ND1 3.8Å; D241-H277 PolarHBondContact OD2-ND1 2.87Å; I243-H277 HydrophobicContact CB-CB 4.32Å; I243-H277 HydrophobicContact CD1-CB 3.85Å; I243-H277 HydrophobicContact CG1-CB 4.2Å; H277-I280 WeakPolarHBondContact O-CG2 3.34Å
278R93.9Very high94.2Very high194 Ų19428.5 Ų28.573%0.73212%0.124SC*.THydrogen-bonded Turntrans-95.1-35.4177.1-65.2178.767.7-1642.4111.8D276 I280 L281 W282D276-R278 PolarHBondContact O-N 2.87Å; D276-R278 PolarHBondContact OD1-N 3.42Å; R278-I280 PolarHBondContact O-N 2.92Å; R278-L281 WeakPolarHBondContact O-CB 3.14Å; R278-L281 PolarHBondContact O-N 3.43Å; R278-L281 VanDerWaalsContact O-N 3.11Å; R278-W282 PolarHBondContact O-NE1 3.47Å
279C94.8Very high94.2Very high0 Ų029.1 Ų29.10%013%0.127CC..G310 helixtrans-57.7-33.8179.4-176.50000113.2N35 C37 C275 D276 L281 W282 C283N35-C279 PolarHBondContact ND2-SG 2.98Å; C37-C279 VanDerWaalsContact CB-SG 3.54Å; C37-C279 VanDerWaalsContact SG-SG 3.7Å; C275-C279 HydrophobicContact CB-CB 4.06Å; D276-C279 HydrophobicContact CB-CB 4.4Å; D276-C279 VanDerWaalsContact CG-CB 3.42Å; D276-C279 WeakPolarHBondContact O-CB 3.34Å; D276-C279 PolarHBondContact O-N 3.26Å; D276-C279 WeakPolarHBondContact OD1-CB 3.26Å; D276-C279 PolarHBondContact OD1-N 2.79Å; C279-L281 PolarHBondContact O-N 2.88Å; C279-W282 VanDerWaalsContact CA-CE2 3.41Å; C279-W282 HydrophobicContact CB-CH2 4.05Å; C279-W282 HydrophobicContact CB-CZ2 3.63Å; C279-W282 PolarHBondContact O-N 2.89Å; C279-W282 WeakPolarHBondContact SG-CH2 3.11Å; C279-C283 WeakPolarHBondContact O-CB 3.36Å; C279-C283 PolarHBondContact O-N 3.43Å
280I96.4Very high94.4Very high0 Ų027.8 Ų27.80%012%0.121CC..G310 helixtrans-56.5-22.7176.9-160.6170.5000113L193 A194 I235 T265 C275 D276 H277 R278 L286 M287L193-I280 HydrophobicContact CB-CD1 4.04Å; L193-I280 HydrophobicContact CB-CG1 4.4Å; A194-I280 HydrophobicContact CB-CD1 3.93Å; A194-I280 HydrophobicContact CB-CG2 4.23Å; I235-I280 HydrophobicContact CG2-CD1 4.36Å; T265-I280 HydrophobicContact CG2-CD1 4.11Å; T265-I280 HydrophobicContact CG2-CG1 4.1Å; C275-I280 HydrophobicContact CB-CB 3.96Å; C275-I280 HydrophobicContact CB-CG1 4.49Å; D276-I280 PolarHBondContact O-N 3.3Å; D276-I280 VanDerWaalsContact O-N 3.16Å; H277-I280 WeakPolarHBondContact O-CG2 3.34Å; R278-I280 PolarHBondContact O-N 2.92Å; I280-L286 HydrophobicContact CG1-CD2 3.6Å; I280-L286 WeakPolarHBondContact O-CD2 3.23Å; I280-M287 WeakPolarHBondContact O-CE 3.5Å
281L96.6Very high94.5Very high19 Ų1923.9 Ų23.910%0.09911%0.106CC..G310 helixtrans-87.9-13179.8-65.1179.4000114.8F85 T95 S98 H165 L193 R278 C279 M287F85-L281 HydrophobicContact CE2-CD2 4.05Å; F85-L281 HydrophobicContact CZ-CD2 3.79Å; T95-L281 HydrophobicContact CG2-CD1 4.12Å; S98-L281 WeakPolarHBondContact CB-O 2.96Å; H165-L281 HydrophobicContact CB-CD2 3.84Å; L193-L281 HydrophobicContact CD1-CD2 4.35Å; R278-L281 WeakPolarHBondContact O-CB 3.14Å; R278-L281 PolarHBondContact O-N 3.43Å; R278-L281 VanDerWaalsContact O-N 3.11Å; C279-L281 PolarHBondContact O-N 2.88Å; L281-M287 VanDerWaalsContact C-CE 3.45Å; L281-M287 WeakPolarHBondContact O-CE 3.17Å
282W96.3Very high94.4Very high66 Ų6626.2 Ų26.225%0.2512%0.115CC..THydrogen-bonded Turntrans-134.61.8-175.656.5-104.4000114.6N35 C37 L39 T40 R278 C279 L284N35-W282 VanDerWaalsContact ND2-CH2 3.34Å; N35-W282 WeakPolarHBondContact ND2-CH2 3.38Å; C37-W282 HydrophobicContact CB-CZ3 4.1Å; L39-W282 HydrophobicContact CB-CE3 4.33Å; L39-W282 HydrophobicContact CB-CZ3 4.42Å; L39-W282 HydrophobicContact CD1-CB 4.05Å; L39-W282 HydrophobicContact CD1-CD2 3.56Å; L39-W282 HydrophobicContact CD1-CE3 3.38Å; L39-W282 HydrophobicContact CD1-CG 3.89Å; L39-W282 HydrophobicContact CD1-CZ3 4.02Å; L39-W282 HydrophobicContact CG-CE3 4.46Å; T40-W282 VanDerWaalsContact CG2-O 3.27Å; T40-W282 WeakPolarHBondContact CG2-O 3.29Å; T40-W282 PolarHBondContact N-O 3.42Å; T40-W282 VanDerWaalsContact N-O 3.11Å; T40-W282 PolarHBondContact OG1-O 3Å; R278-W282 PolarHBondContact O-NE1 3.47Å; C279-W282 VanDerWaalsContact CA-CE2 3.41Å; C279-W282 HydrophobicContact CB-CH2 4.05Å; C279-W282 HydrophobicContact CB-CZ2 3.63Å; C279-W282 PolarHBondContact O-N 2.89Å; C279-W282 WeakPolarHBondContact SG-CH2 3.11Å; W282-L284 PolarHBondContact O-N 3.41Å; W282-L284 VanDerWaalsContact O-N 3.08Å
283C96.9Very high94.4Very high0 Ų025.7 Ų25.70%011%0.113CC..BIsolated β-bridgetrans-63.5108.1174.5-173.40000110.1C37 C279 Q285 L286 M287C37-C283 HydrophobicContact CB-CB 3.65Å; C37-C283 WeakPolarHBondContact CB-SG 3.18Å; C37-C283 WeakPolarHBondContact SG-CB 3.48Å; C37-C283 CovalentContact SG-SG 2.05Å; C37-C283 PolarHBondContact SG-SG 3.06Å; C279-C283 WeakPolarHBondContact O-CB 3.36Å; C279-C283 PolarHBondContact O-N 3.43Å; C283-Q285 VanDerWaalsContact C-N 3.27Å; C283-Q285 PolarHBondContact O-N 2.98Å; C283-Q285 PolarHBondContact SG-OE1 3.02Å; C283-L286 HydrophobicContact CB-CB 4.08Å; C283-L286 PolarHBondContact O-N 3.3Å; C283-L286 VanDerWaalsContact O-N 3.07Å; C283-M287 WeakPolarHBondContact O-CG 3.42Å; C283-M287 PolarHBondContact O-N 3.25Å
284L95.7Very high94.4Very high39 Ų3925.7 Ų25.720%0.20411%0.113CC..Hα-helixtrans-55.8-43.1-174.6175.763000112.1I38 T40 T102 W282 L286 M287 L288I38-L284 HydrophobicContact CB-CB 4.22Å; I38-L284 HydrophobicContact CB-CD2 4.35Å; I38-L284 HydrophobicContact CG2-CB 4.39Å; I38-L284 HydrophobicContact CG2-CD2 3.86Å; I38-L284 WeakPolarHBondContact O-CB 3.44Å; I38-L284 PolarHBondContact O-N 3.42Å; T40-L284 HydrophobicContact CG2-CB 3.95Å; T40-L284 HydrophobicContact CG2-CD1 3.91Å; T102-L284 HydrophobicContact CG2-CD1 3.75Å; W282-L284 PolarHBondContact O-N 3.41Å; W282-L284 VanDerWaalsContact O-N 3.08Å; L284-L286 VanDerWaalsContact C-N 3.3Å; L284-L286 PolarHBondContact O-N 3.19Å; L284-M287 PolarHBondContact O-N 3.08Å; L284-L288 HydrophobicContact CD1-CD1 4.04Å; L284-L288 HydrophobicContact CD1-CG 4.04Å; L284-L288 HydrophobicContact CG-CD1 3.97Å; L284-L288 HydrophobicContact CG-CG 4.41Å; L284-L288 VanDerWaalsContact O-CG 3.29Å; L284-L288 WeakPolarHBondContact O-CG 3.25Å; L284-L288 PolarHBondContact O-N 2.96Å
285Q94.5Very high94.3Very high35 Ų3525.7 Ų25.716%0.16411%0.113CC..Hα-helixtrans-57.5-46.3178.9-59.797.6-50.400111.2R36 V271 C283 V289R36-Q285 PolarHBondContact O-NE2 3.2Å; V271-Q285 HydrophobicContact CB-CB 4.33Å; V271-Q285 HydrophobicContact CG1-CB 4.32Å; V271-Q285 HydrophobicContact CG2-CB 4.12Å; C283-Q285 VanDerWaalsContact C-N 3.27Å; C283-Q285 PolarHBondContact O-N 2.98Å; C283-Q285 PolarHBondContact SG-OE1 3.02Å; Q285-V289 WeakPolarHBondContact O-CG2 3.28Å; Q285-V289 PolarHBondContact O-N 3.48Å
286L96.9Very high93.9Very high0 Ų027.1 Ų27.10%012%0.122CC..Hα-helixtrans-65.6-47.8178.7-179.362.1000111.3I235 T265 I268 V271 I280 C283 L284 L288 V289 L290I235-L286 HydrophobicContact CD1-CD1 4.49Å; I235-L286 HydrophobicContact CG2-CD1 4.49Å; T265-L286 HydrophobicContact CG2-CD1 4.47Å; T265-L286 HydrophobicContact CG2-CD2 3.84Å; I268-L286 HydrophobicContact CD1-CD1 3.65Å; V271-L286 HydrophobicContact CG1-CB 4.35Å; V271-L286 HydrophobicContact CG2-CB 4.25Å; V271-L286 HydrophobicContact CG2-CD1 4.34Å; I280-L286 HydrophobicContact CG1-CD2 3.6Å; I280-L286 WeakPolarHBondContact O-CD2 3.23Å; C283-L286 HydrophobicContact CB-CB 4.08Å; C283-L286 PolarHBondContact O-N 3.3Å; C283-L286 VanDerWaalsContact O-N 3.07Å; L284-L286 VanDerWaalsContact C-N 3.3Å; L284-L286 PolarHBondContact O-N 3.19Å; L286-L288 VanDerWaalsContact C-N 3.29Å; L286-L288 PolarHBondContact O-N 3.13Å; L286-V289 PolarHBondContact O-N 3.12Å; L286-L290 HydrophobicContact CD1-CD1 4.14Å; L286-L290 HydrophobicContact CD1-CD2 4.34Å; L286-L290 HydrophobicContact CD1-CG 4Å; L286-L290 HydrophobicContact CG-CD1 3.94Å; L286-L290 HydrophobicContact CG-CG 4.19Å; L286-L290 VanDerWaalsContact O-CG 3.32Å; L286-L290 WeakPolarHBondContact O-CG 3.37Å; L286-L290 PolarHBondContact O-N 3.43Å
287M96.4Very high93.3Very high3 Ų326 Ų262%0.01512%0.115CC..Hα-helixtrans-58.6-40.1-178.7-62.9-58.6130.700112.4T40 L99 T102 I280 L281 C283 L284 N291T40-M287 HydrophobicContact CG2-CB 4.26Å; T40-M287 HydrophobicContact CG2-CG 3.9Å; L99-M287 VanDerWaalsContact CA-SD 3.51Å; L99-M287 HydrophobicContact CB-SD 3.59Å; L99-M287 VanDerWaalsContact CB-SD 3.59Å; L99-M287 HydrophobicContact CD1-CB 4.43Å; L99-M287 HydrophobicContact CD1-SD 3.62Å; L99-M287 HydrophobicContact CG-SD 4.17Å; T102-M287 HydrophobicContact CG2-CB 3.91Å; I280-M287 WeakPolarHBondContact O-CE 3.5Å; L281-M287 VanDerWaalsContact C-CE 3.45Å; L281-M287 WeakPolarHBondContact O-CE 3.17Å; C283-M287 WeakPolarHBondContact O-CG 3.42Å; C283-M287 PolarHBondContact O-N 3.25Å; L284-M287 PolarHBondContact O-N 3.08Å; M287-N291 WeakPolarHBondContact O-CB 3.42Å; M287-N291 PolarHBondContact O-N 3.17Å; M287-N291 PolarHBondContact O-ND2 2.93Å
288L94.4Very high92.2Very high48 Ų4827.4 Ų27.425%0.25112%0.123SC..Hα-helixtrans-62.5-47.7176.6-74170.3000112N105 F106 L284 L286 N291 K292N105-L288 HydrophobicContact CB-CD2 3.86Å; N105-L288 WeakPolarHBondContact ND2-CD2 3.28Å; F106-L288 HydrophobicContact CE2-CD2 3.9Å; F106-L288 HydrophobicContact CZ-CB 4.36Å; F106-L288 HydrophobicContact CZ-CD2 4.03Å; F106-L288 VanDerWaalsContact CZ-O 3.28Å; F106-L288 WeakPolarHBondContact CZ-O 3.29Å; L284-L288 HydrophobicContact CD1-CD1 4.04Å; L284-L288 HydrophobicContact CD1-CG 4.04Å; L284-L288 HydrophobicContact CG-CD1 3.97Å; L284-L288 HydrophobicContact CG-CG 4.41Å; L284-L288 VanDerWaalsContact O-CG 3.29Å; L284-L288 WeakPolarHBondContact O-CG 3.25Å; L284-L288 PolarHBondContact O-N 2.96Å; L286-L288 VanDerWaalsContact C-N 3.29Å; L286-L288 PolarHBondContact O-N 3.13Å; L288-N291 PolarHBondContact O-N 3.47Å; L288-K292 WeakPolarHBondContact O-CB 3.34Å; L288-K292 PolarHBondContact O-N 3.16Å
289V94.3Very high90.6Very high12 Ų1222 Ų227%0.07312%0.116CC..Hα-helixtrans-68.3-40.7-177.9179.50000110.9I268 Y270 V271 Q285 L286 K292 G293 L315I268-V289 HydrophobicContact CG2-CG1 4.11Å; Y270-V289 HydrophobicContact CD2-CG2 4.5Å; V271-V289 HydrophobicContact CG2-CG2 4.24Å; Q285-V289 WeakPolarHBondContact O-CG2 3.28Å; Q285-V289 PolarHBondContact O-N 3.48Å; L286-V289 PolarHBondContact O-N 3.12Å; V289-K292 PolarHBondContact O-N 3.43Å; V289-G293 PolarHBondContact O-N 2.8Å; V289-L315 HydrophobicContact CG1-CD2 3.39Å
290L95.5Very high88.9Confident1 Ų126.4 Ų26.41%0.00514%0.138CC..Hα-helixtrans-60.5-48175.6-69-175.8000111.8L99 L191 L193 I235 L286 G293 L294L99-L290 HydrophobicContact CD1-CB 4.11Å; L99-L290 HydrophobicContact CD1-CD1 4.49Å; L191-L290 HydrophobicContact CD2-CD2 3.86Å; L193-L290 HydrophobicContact CD1-CD1 4.43Å; L193-L290 HydrophobicContact CD2-CD1 3.97Å; I235-L290 HydrophobicContact CD1-CD2 3.59Å; L286-L290 HydrophobicContact CD1-CD1 4.14Å; L286-L290 HydrophobicContact CD1-CD2 4.34Å; L286-L290 HydrophobicContact CD1-CG 4Å; L286-L290 HydrophobicContact CG-CD1 3.94Å; L286-L290 HydrophobicContact CG-CG 4.19Å; L286-L290 VanDerWaalsContact O-CG 3.32Å; L286-L290 WeakPolarHBondContact O-CG 3.37Å; L286-L290 PolarHBondContact O-N 3.43Å; L290-G293 PolarHBondContact O-N 3.36Å; L290-L294 WeakPolarHBondContact O-CG 3.28Å; L290-L294 PolarHBondContact O-N 2.95Å
291N93.6Very high87.3Confident0 Ų029.1 Ų29.10%016%0.157CC..Hα-helixtrans-64.5-40.4176.8-88.7-44.9000112.8L99 T102 I103 F106 Y115 M287 L288 G293 L294 L295L99-N291 PolarHBondContact O-ND2 3.18Å; T102-N291 PolarHBondContact OG1-ND2 3.45Å; I103-N291 WeakPolarHBondContact CG1-OD1 3.35Å; F106-N291 HydrophobicContact CD2-CB 4.42Å; F106-N291 HydrophobicContact CE2-CB 4.05Å; Y115-N291 PolarHBondContact OH-OD1 2.95Å; M287-N291 WeakPolarHBondContact O-CB 3.42Å; M287-N291 PolarHBondContact O-N 3.17Å; M287-N291 PolarHBondContact O-ND2 2.93Å; L288-N291 PolarHBondContact O-N 3.47Å; N291-G293 VanDerWaalsContact C-N 3.26Å; N291-G293 PolarHBondContact O-N 3.01Å; N291-L294 PolarHBondContact O-N 3.35Å; N291-L295 WeakPolarHBondContact O-CB 3.34Å; N291-L295 WeakPolarHBondContact O-CG 3.12Å; N291-L295 PolarHBondContact O-N 3.33Å
292K91.5Very high86.1Confident57 Ų5732.9 Ų32.925%0.24819%0.185CC..Hα-helixtrans-55.6-46172.5-174180177.4-175.10110.2F106 L288 V289 L295 V296 L314F106-K292 HydrophobicContact CE1-CB 4.01Å; F106-K292 HydrophobicContact CE1-CG 4.31Å; F106-K292 HydrophobicContact CZ-CB 3.93Å; L288-K292 WeakPolarHBondContact O-CB 3.34Å; L288-K292 PolarHBondContact O-N 3.16Å; V289-K292 PolarHBondContact O-N 3.43Å; K292-L295 PolarHBondContact O-N 3.45Å; K292-V296 VanDerWaalsContact O-CG2 3.26Å; K292-V296 WeakPolarHBondContact O-CG2 3.42Å; K292-V296 PolarHBondContact O-N 3.39Å; K292-L314 HydrophobicContact CD-CD2 4.06Å; K292-L314 HydrophobicContact CG-CD2 4.44Å
293G91.4Very high85.6Confident0 Ų032.1 Ų32.10%019%0.186CC..Hα-helixtrans-60.9-46.9176.600000113.7V289 L290 N291 L295 V296 H297V289-G293 PolarHBondContact O-N 2.8Å; L290-G293 PolarHBondContact O-N 3.36Å; N291-G293 VanDerWaalsContact C-N 3.26Å; N291-G293 PolarHBondContact O-N 3.01Å; G293-L295 PolarHBondContact O-N 3.37Å; G293-V296 PolarHBondContact O-N 3.21Å; G293-H297 VanDerWaalsContact O-CB 3.24Å; G293-H297 WeakPolarHBondContact O-CB 3.4Å; G293-H297 PolarHBondContact O-N 3.24Å
294L91.5Very high85.2Confident0 Ų032.6 Ų32.60%019%0.19CC..Hα-helixtrans-64.3-39.2178.6-67.7171.7000112.7L113 Y115 V161 I163 L189 L191 L290 N291 H297 N298 F311L113-L294 HydrophobicContact CD1-CB 3.57Å; L113-L294 HydrophobicContact CD1-CD1 3.92Å; L113-L294 HydrophobicContact CD1-CG 4.38Å; Y115-L294 WeakPolarHBondContact OH-CD1 3.38Å; V161-L294 HydrophobicContact CG1-CD2 3.82Å; V161-L294 HydrophobicContact CG2-CD2 4.5Å; I163-L294 HydrophobicContact CD1-CD1 4.08Å; L189-L294 HydrophobicContact CD2-CD2 3.81Å; L191-L294 HydrophobicContact CD1-CD2 3.99Å; L191-L294 HydrophobicContact CD2-CD2 4.44Å; L290-L294 WeakPolarHBondContact O-CG 3.28Å; L290-L294 PolarHBondContact O-N 2.95Å; N291-L294 PolarHBondContact O-N 3.35Å; L294-H297 PolarHBondContact O-N 3.32Å; L294-N298 PolarHBondContact O-N 3.05Å; L294-N298 VanDerWaalsContact O-N 3.13Å; L294-N298 PolarHBondContact O-OD1 2.92Å; L294-F311 HydrophobicContact CD2-CZ 4.32Å
295L89.3Confident84.9Confident1 Ų133.9 Ų33.91%0.00520%0.196CC..Hα-helixtrans-68.6-41.1178.5-69.9169.8000112.1F106 Y109 S111 L113 N291 K292 G293F106-L295 HydrophobicContact CB-CD1 3.7Å; F106-L295 HydrophobicContact CD2-CD1 4.07Å; F106-L295 HydrophobicContact CG-CD1 3.97Å; Y109-L295 HydrophobicContact CD1-CB 3.82Å; Y109-L295 HydrophobicContact CD2-CB 4.21Å; Y109-L295 HydrophobicContact CD2-CD1 3.78Å; Y109-L295 HydrophobicContact CE1-CB 3.98Å; Y109-L295 HydrophobicContact CE2-CB 4.32Å; Y109-L295 HydrophobicContact CE2-CD1 4.23Å; Y109-L295 HydrophobicContact CG-CB 3.94Å; Y109-L295 HydrophobicContact CG-CD1 4.04Å; Y109-L295 HydrophobicContact CG-CD2 4.44Å; Y109-L295 HydrophobicContact CG-CG 4.37Å; S111-L295 WeakPolarHBondContact O-CD2 3.35Å; L113-L295 HydrophobicContact CD1-CD2 4.45Å; L113-L295 HydrophobicContact CG-CD2 4.11Å; N291-L295 WeakPolarHBondContact O-CB 3.34Å; N291-L295 WeakPolarHBondContact O-CG 3.12Å; N291-L295 PolarHBondContact O-N 3.33Å; K292-L295 PolarHBondContact O-N 3.45Å; G293-L295 PolarHBondContact O-N 3.37Å
296V83.9Confident84.6Confident30 Ų3034.6 Ų34.618%0.18221%0.205CC..Hα-helixtrans-70-37175.4175.90000111.2Y109 K292 G293 N298 S299 L300 V310Y109-V296 HydrophobicContact CE1-CG2 4.12Å; Y109-V296 WeakPolarHBondContact OH-CG2 3.44Å; K292-V296 VanDerWaalsContact O-CG2 3.26Å; K292-V296 WeakPolarHBondContact O-CG2 3.42Å; K292-V296 PolarHBondContact O-N 3.39Å; G293-V296 PolarHBondContact O-N 3.21Å; V296-N298 VanDerWaalsContact C-N 3.32Å; V296-N298 PolarHBondContact O-N 3.24Å; V296-S299 PolarHBondContact O-N 3.34Å; V296-S299 PolarHBondContact O-OG 3.17Å; V296-L300 HydrophobicContact CG1-CD1 3.7Å; V296-L300 WeakPolarHBondContact O-CD1 3.2Å; V296-L300 WeakPolarHBondContact O-CG 3.46Å; V296-V310 HydrophobicContact CB-CG1 4Å; V296-V310 HydrophobicContact CG1-CG1 3.62Å; V296-V310 HydrophobicContact CG1-CG2 4.27Å
297H81.1Confident84.2Confident17 Ų1734.9 Ų34.98%0.07921%0.206CC..Hα-helixtrans-57.9-45.1174.517692.3000112G293 L294 S299 L300 R307 F311G293-H297 VanDerWaalsContact O-CB 3.24Å; G293-H297 WeakPolarHBondContact O-CB 3.4Å; G293-H297 PolarHBondContact O-N 3.24Å; L294-H297 PolarHBondContact O-N 3.32Å; H297-S299 PolarHBondContact O-N 3Å; H297-L300 PolarHBondContact O-N 2.85Å; H297-R307 WeakPolarHBondContact CE1-CD 3.08Å; H297-F311 HydrophobicContact CB-CE2 4.19Å; H297-F311 HydrophobicContact CB-CZ 4.37Å; H297-F311 AromaticContact ND1-CE2 3.93Å
298N71Confident84Confident53 Ų5334.8 Ų34.828%0.28321%0.205SC..Hα-helixtrans-66.1-22-178.3-75.5-0.2000114S81 L113 L294 V296 L300S81-N298 VanDerWaalsContact CB-ND2 3.26Å; S81-N298 WeakPolarHBondContact CB-ND2 3.31Å; S81-N298 PolarHBondContact OG-ND2 3.23Å; S81-N298 VanDerWaalsContact OG-ND2 3.14Å; L113-N298 WeakPolarHBondContact CD2-ND2 3.26Å; L294-N298 PolarHBondContact O-N 3.05Å; L294-N298 VanDerWaalsContact O-N 3.13Å; L294-N298 PolarHBondContact O-OD1 2.92Å; V296-N298 VanDerWaalsContact C-N 3.32Å; V296-N298 PolarHBondContact O-N 3.24Å; N298-L300 VanDerWaalsContact C-N 3.32Å
299S60.7Low83.7Confident82 Ų8234.5 Ų34.557%0.57320%0.204SC*.THydrogen-bonded Turntrans-85.1-3.4175.462.80000113.6V296 H297V296-S299 PolarHBondContact O-N 3.34Å; V296-S299 PolarHBondContact O-OG 3.17Å; H297-S299 PolarHBondContact O-N 3Å
300L59.2Low83.5Confident91 Ų9134.7 Ų34.748%0.47621%0.205SC..SBendtrans-124.6165.3-167.2-67.7171.5000115.1V296 H297 N298 V310V296-L300 HydrophobicContact CG1-CD1 3.7Å; V296-L300 WeakPolarHBondContact O-CD1 3.2Å; V296-L300 WeakPolarHBondContact O-CG 3.46Å; H297-L300 PolarHBondContact O-N 2.85Å; N298-L300 VanDerWaalsContact C-N 3.32Å; L300-V310 HydrophobicContact CD1-CG2 3.49Å; L300-V310 VanDerWaalsContact CD1-CG2 3.49Å
301S62.7Low83.3Confident57 Ų5734.7 Ų34.740%0.39921%0.205SC..  trans-50.6164.1-161.859.50000119.9D303 S306S301-D303 VanDerWaalsContact C-N 3.29Å; S301-D303 PolarHBondContact O-N 3.41Å; S301-S306 VanDerWaalsContact OG-CB 3.28Å; S301-S306 WeakPolarHBondContact OG-CB 3.34Å
302S71.3Confident83.2Confident98 Ų9839 Ų3969%0.68522%0.222SC*.SBendtrans-61.8-27173.650.20000115.1R307S302-R307 PolarHBondContact O-NH2 2.73Å
303D86Confident83Confident51 Ų5139.9 Ų39.927%0.27323%0.229SC..  trans-68.5129.3-174.3173.647.4000112.7S301 I305 S306 R307S301-D303 VanDerWaalsContact C-N 3.29Å; S301-D303 PolarHBondContact O-N 3.41Å; D303-I305 PolarHBondContact OD2-N 3Å; D303-S306 WeakPolarHBondContact OD2-CB 3.44Å; D303-S306 PolarHBondContact OD2-N 2.94Å; D303-S306 PolarHBondContact OD2-OG 3.23Å; D303-R307 WeakPolarHBondContact O-CG 3.2Å; D303-R307 PolarHBondContact O-N 2.96Å; D303-R307 PolarHBondContact O-NE 3.46Å; D303-R307 VanDerWaalsContact O-NE 3.16Å
304P88.7Confident82.9Confident10 Ų1041.1 Ų41.17%0.06524%0.236CC..Hα-helixtrans-63.3-36.1177.224.1-35.3000114.5Y228 V231 R307 L308Y228-P304 WeakPolarHBondContact O-CB 3.03Å; Y228-P304 WeakPolarHBondContact O-CG 3.2Å; V231-P304 HydrophobicContact CG2-CB 4.07Å; V231-P304 WeakPolarHBondContact CG2-O 3.16Å; P304-R307 PolarHBondContact O-N 2.69Å; P304-L308 WeakPolarHBondContact O-CB 3.3Å; P304-L308 PolarHBondContact O-N 2.99Å
305I88.8Confident83Confident66 Ų6641.2 Ų41.234%0.33824%0.236SC..Hα-helixtrans-67.7-45.8-176.5-60.5167.8000109.7D303 R307 L308 N309D303-I305 PolarHBondContact OD2-N 3Å; I305-R307 VanDerWaalsContact C-N 3.29Å; I305-R307 PolarHBondContact O-N 3.44Å; I305-L308 WeakPolarHBondContact O-CB 3.31Å; I305-L308 PolarHBondContact O-N 3.15Å; I305-L308 VanDerWaalsContact O-N 3.15Å; I305-N309 WeakPolarHBondContact O-CB 3.41Å; I305-N309 PolarHBondContact O-N 3.14Å
306S88.1Confident83.1Confident50 Ų5042.7 Ų42.735%0.3524%0.244SC..Hα-helixtrans-57.1-42.4174.1-58.90000111.9S301 D303 N309 V310S301-S306 VanDerWaalsContact OG-CB 3.28Å; S301-S306 WeakPolarHBondContact OG-CB 3.34Å; D303-S306 WeakPolarHBondContact OD2-CB 3.44Å; D303-S306 PolarHBondContact OD2-N 2.94Å; D303-S306 PolarHBondContact OD2-OG 3.23Å; S306-N309 PolarHBondContact O-N 3.2Å; S306-V310 WeakPolarHBondContact O-CG2 3.38Å; S306-V310 PolarHBondContact O-N 3.26Å
307R88.4Confident83.3Confident5 Ų541.7 Ų41.72%0.01924%0.238CC..Hα-helixtrans-64.3-40.7175.9-73.8177.4-66.9134.3-12.6112.3K188 P229 V231 H297 S302 D303 P304 I305 F311K188-R307 VanDerWaalsContact CB-NH1 3.34Å; K188-R307 PolarHBondContact O-NH1 2.81Å; P229-R307 VanDerWaalsContact O-CZ 3.24Å; P229-R307 PolarHBondContact O-NH1 2.82Å; P229-R307 PolarHBondContact O-NH2 3.33Å; V231-R307 HydrophobicContact CG2-CB 4.11Å; H297-R307 WeakPolarHBondContact CE1-CD 3.08Å; S302-R307 PolarHBondContact O-NH2 2.73Å; D303-R307 WeakPolarHBondContact O-CG 3.2Å; D303-R307 PolarHBondContact O-N 2.96Å; D303-R307 PolarHBondContact O-NE 3.46Å; D303-R307 VanDerWaalsContact O-NE 3.16Å; P304-R307 PolarHBondContact O-N 2.69Å; I305-R307 VanDerWaalsContact C-N 3.29Å; I305-R307 PolarHBondContact O-N 3.44Å; R307-F311 WeakPolarHBondContact O-CD2 3.47Å
308L91.4Very high83.5Confident2 Ų244.7 Ų44.71%0.0125%0.248CC..Hα-helixtrans-66.1-41.1176179.958.8000111.6V231 N259 L261 P304 I305 V310 F311 R312V231-L308 HydrophobicContact CG1-CB 4.11Å; V231-L308 HydrophobicContact CG1-CD1 3.91Å; V231-L308 HydrophobicContact CG2-CB 4.37Å; N259-L308 HydrophobicContact CB-CD2 4.3Å; L261-L308 HydrophobicContact CB-CD1 3.81Å; P304-L308 WeakPolarHBondContact O-CB 3.3Å; P304-L308 PolarHBondContact O-N 2.99Å; I305-L308 WeakPolarHBondContact O-CB 3.31Å; I305-L308 PolarHBondContact O-N 3.15Å; I305-L308 VanDerWaalsContact O-N 3.15Å; L308-V310 VanDerWaalsContact C-N 3.3Å; L308-V310 PolarHBondContact O-N 3.34Å; L308-F311 PolarHBondContact O-N 2.69Å; L308-F311 VanDerWaalsContact O-N 3.07Å; L308-R312 VanDerWaalsContact CD2-CZ 3.41Å; L308-R312 VanDerWaalsContact CD2-NH2 3.32Å; L308-R312 HydrophobicContact CG-CG 4.42Å; L308-R312 PolarHBondContact O-N 2.79Å
309N89.8Confident83.9Confident41 Ų4143.9 Ų43.922%0.21925%0.246CC..Hα-helixtrans-64.8-30.9-179.9-75.7-3.8000113I305 S306 F311 R312 N313I305-N309 WeakPolarHBondContact O-CB 3.41Å; I305-N309 PolarHBondContact O-N 3.14Å; S306-N309 PolarHBondContact O-N 3.2Å; N309-F311 VanDerWaalsContact C-N 3.31Å; N309-F311 PolarHBondContact O-N 2.67Å; N309-R312 PolarHBondContact O-N 2.9Å; N309-R312 PolarHBondContact OD1-NH1 2.84Å; N309-N313 WeakPolarHBondContact O-CB 3.48Å; N309-N313 PolarHBondContact O-N 3.08Å; N309-N313 PolarHBondContact O-ND2 2.89Å
310V88.4Confident84.6Confident17 Ų1740.2 Ų40.210%0.10322%0.22CC..Hα-helixtrans-54.5-49.6169.5170.90000110.6V296 L300 S306 L308 L314V296-V310 HydrophobicContact CB-CG1 4Å; V296-V310 HydrophobicContact CG1-CG1 3.62Å; V296-V310 HydrophobicContact CG1-CG2 4.27Å; L300-V310 HydrophobicContact CD1-CG2 3.49Å; L300-V310 VanDerWaalsContact CD1-CG2 3.49Å; S306-V310 WeakPolarHBondContact O-CG2 3.38Å; S306-V310 PolarHBondContact O-N 3.26Å; L308-V310 VanDerWaalsContact C-N 3.3Å; L308-V310 PolarHBondContact O-N 3.34Å; V310-L314 HydrophobicContact CG1-CD1 3.82Å; V310-L314 WeakPolarHBondContact O-CB 3.32Å; V310-L314 WeakPolarHBondContact O-CD1 3.37Å; V310-L314 VanDerWaalsContact O-CG 3.22Å; V310-L314 WeakPolarHBondContact O-CG 3.45Å; V310-L314 PolarHBondContact O-N 2.76Å; V310-L314 VanDerWaalsContact O-N 3.11Å
311F91.8Very high85Confident0 Ų038 Ų380%021%0.208CC..Hα-helixtrans-75-35.8-179.2-71-82.2000112.7L189 I233 L261 L294 H297 R307 L308 N309 N313 L314 L315L189-F311 HydrophobicContact CD1-CE2 4.02Å; L189-F311 HydrophobicContact CD1-CZ 4.48Å; L189-F311 HydrophobicContact CD2-CE2 3.82Å; L189-F311 HydrophobicContact CD2-CZ 3.79Å; I233-F311 HydrophobicContact CD1-CB 3.7Å; I233-F311 HydrophobicContact CD1-CD1 3.34Å; I233-F311 HydrophobicContact CD1-CD2 3.32Å; I233-F311 HydrophobicContact CD1-CE1 3.63Å; I233-F311 HydrophobicContact CD1-CE2 3.62Å; I233-F311 HydrophobicContact CD1-CG 3.15Å; I233-F311 HydrophobicContact CD1-CZ 3.77Å; I233-F311 HydrophobicContact CG1-CG 4.38Å; L261-F311 HydrophobicContact CD2-CB 4.16Å; L294-F311 HydrophobicContact CD2-CZ 4.32Å; H297-F311 HydrophobicContact CB-CE2 4.19Å; H297-F311 HydrophobicContact CB-CZ 4.37Å; H297-F311 AromaticContact ND1-CE2 3.93Å; R307-F311 WeakPolarHBondContact O-CD2 3.47Å; L308-F311 PolarHBondContact O-N 2.69Å; L308-F311 VanDerWaalsContact O-N 3.07Å; N309-F311 VanDerWaalsContact C-N 3.31Å; N309-F311 PolarHBondContact O-N 2.67Å; F311-N313 VanDerWaalsContact C-N 3.33Å; F311-N313 PolarHBondContact O-N 3.29Å; F311-L314 PolarHBondContact O-N 2.71Å; F311-L315 HydrophobicContact CB-CD1 4.12Å; F311-L315 HydrophobicContact CB-CG 4.44Å; F311-L315 HydrophobicContact CD1-CD1 4.07Å; F311-L315 HydrophobicContact CD1-CG 4.43Å; F311-L315 WeakPolarHBondContact O-CA 3.41Å; F311-L315 WeakPolarHBondContact O-CB 3.3Å; F311-L315 VanDerWaalsContact O-CG 3.24Å; F311-L315 WeakPolarHBondContact O-CG 3.41Å; F311-L315 PolarHBondContact O-N 3.28Å
312R91.6Very high84.3Confident91 Ų9137.1 Ų37.134%0.34320%0.2SC..Hα-helixtrans-57.4-47.8173.3-72.6179.8173152.7-6.2111.4L261 L308 N309 L314 I316L261-R312 HydrophobicContact CD1-CG 4.25Å; L261-R312 HydrophobicContact CD2-CG 3.99Å; L308-R312 VanDerWaalsContact CD2-CZ 3.41Å; L308-R312 VanDerWaalsContact CD2-NH2 3.32Å; L308-R312 HydrophobicContact CG-CG 4.42Å; L308-R312 PolarHBondContact O-N 2.79Å; N309-R312 PolarHBondContact O-N 2.9Å; N309-R312 PolarHBondContact OD1-NH1 2.84Å; R312-L314 PolarHBondContact O-N 2.88Å; R312-I316 HydrophobicContact CB-CD1 3.93Å; R312-I316 HydrophobicContact CG-CD1 4.02Å; R312-I316 VanDerWaalsContact O-CB 3.31Å; R312-I316 WeakPolarHBondContact O-CB 3.47Å; R312-I316 WeakPolarHBondContact O-CG1 3.4Å; R312-I316 PolarHBondContact O-N 2.92Å
313N88Confident82.9Confident75 Ų7538.4 Ų38.440%0.40120%0.195SC..Hα-helixtrans-70.1-30.3-179.1-72.8-22.8000113.4N309 F311 R318N309-N313 WeakPolarHBondContact O-CB 3.48Å; N309-N313 PolarHBondContact O-N 3.08Å; N309-N313 PolarHBondContact O-ND2 2.89Å; F311-N313 VanDerWaalsContact C-N 3.33Å; F311-N313 PolarHBondContact O-N 3.29Å; N313-R318 PolarHBondContact OD1-NH2 2.86Å
314L89.6Confident80.5Confident27 Ų2738.5 Ų38.514%0.14120%0.198CC..Hα-helixtrans-86.4-31.8179.1-72.2173.1000114K292 V310 F311 R312K292-L314 HydrophobicContact CD-CD2 4.06Å; K292-L314 HydrophobicContact CG-CD2 4.44Å; V310-L314 HydrophobicContact CG1-CD1 3.82Å; V310-L314 WeakPolarHBondContact O-CB 3.32Å; V310-L314 WeakPolarHBondContact O-CD1 3.37Å; V310-L314 VanDerWaalsContact O-CG 3.22Å; V310-L314 WeakPolarHBondContact O-CG 3.45Å; V310-L314 PolarHBondContact O-N 2.76Å; V310-L314 VanDerWaalsContact O-N 3.11Å; F311-L314 PolarHBondContact O-N 2.71Å; R312-L314 PolarHBondContact O-N 2.88Å
315L93.3Very high77.8Confident1 Ų141.1 Ų41.11%0.00521%0.21CC..Hα-helixtrans-99-41.4-171.9-59.2-178.1000112.6I233 I235 L261 L263 I268 Q269 V289 F311 T317I233-L315 HydrophobicContact CG2-CD1 3.91Å; I235-L315 HydrophobicContact CD1-CD1 4.4Å; L261-L315 HydrophobicContact CD2-CD1 4.19Å; L263-L315 HydrophobicContact CD1-CB 3.57Å; L263-L315 HydrophobicContact CD1-CD1 4Å; L263-L315 HydrophobicContact CD1-CG 4.43Å; I268-L315 CarbonylContact C-O 3.54Å; I268-L315 WeakPolarHBondContact CA-O 3.45Å; I268-L315 HydrophobicContact CG2-CB 4.4Å; I268-L315 HydrophobicContact CG2-CD2 3.79Å; Q269-L315 PolarHBondContact N-O 2.68Å; V289-L315 HydrophobicContact CG1-CD2 3.39Å; F311-L315 HydrophobicContact CB-CD1 4.12Å; F311-L315 HydrophobicContact CB-CG 4.44Å; F311-L315 HydrophobicContact CD1-CD1 4.07Å; F311-L315 HydrophobicContact CD1-CG 4.43Å; F311-L315 WeakPolarHBondContact O-CA 3.41Å; F311-L315 WeakPolarHBondContact O-CB 3.3Å; F311-L315 VanDerWaalsContact O-CG 3.24Å; F311-L315 WeakPolarHBondContact O-CG 3.41Å; F311-L315 PolarHBondContact O-N 3.28Å; L315-T317 PolarHBondContact O-N 3.05Å
316I90.8Very high75Confident33 Ų3343.4 Ų43.417%0.16922%0.219CC..BIsolated β-bridgetrans-72.2124-170.6-61.4174000110.5L261 L263 R312 R318L261-I316 HydrophobicContact CD1-CD1 3.95Å; L261-I316 HydrophobicContact CD1-CG1 4.23Å; L263-I316 HydrophobicContact CD1-CG1 4.45Å; L263-I316 HydrophobicContact CD2-CG1 4.12Å; R312-I316 HydrophobicContact CB-CD1 3.93Å; R312-I316 HydrophobicContact CG-CD1 4.02Å; R312-I316 VanDerWaalsContact O-CB 3.31Å; R312-I316 WeakPolarHBondContact O-CB 3.47Å; R312-I316 WeakPolarHBondContact O-CG1 3.4Å; R312-I316 PolarHBondContact O-N 2.92Å; I316-R318 PolarHBondContact O-N 2.9Å
317T89.2Confident72.4Confident9 Ų948.1 Ų48.16%0.05524%0.236CC..  trans-75.1111.2166.5-57.40000109.5A267 Q269 W272 L315 F575A267-T317 WeakPolarHBondContact O-CB 3.45Å; A267-T317 PolarHBondContact O-N 3.43Å; A267-T317 PolarHBondContact O-OG1 3.35Å; Q269-T317 WeakPolarHBondContact CA-OG1 3.39Å; Q269-T317 PolarHBondContact N-OG1 3.36Å; W272-T317 PolarHBondContact NE1-OG1 3.19Å; L315-T317 PolarHBondContact O-N 3.05Å; T317-F575 HydrophobicContact CG2-CD1 4.29Å; T317-F575 HydrophobicContact CG2-CD2 3.5Å; T317-F575 VanDerWaalsContact CG2-CD2 3.5Å; T317-F575 HydrophobicContact CG2-CE1 4.28Å; T317-F575 HydrophobicContact CG2-CE2 3.55Å; T317-F575 HydrophobicContact CG2-CG 3.97Å; T317-F575 HydrophobicContact CG2-CZ 3.97Å
318R84.7Confident69.7Low80 Ų8055 Ų5530%0.30227%0.273SS..PPolyproline II helixtrans-75130.9177.3-64.1179.4-179.4177-4.8110.3N313 I316 S419 T423N313-R318 PolarHBondContact OD1-NH2 2.86Å; I316-R318 PolarHBondContact O-N 2.9Å; R318-S419 PolarHBondContact NH1-O 3.26Å; R318-T423 WeakPolarHBondContact O-CB 3.32Å; R318-T423 PolarHBondContact O-OG1 3.32Å
319P78.8Confident66.7Low36 Ų3663.6 Ų63.623%0.23431%0.313CS..PPolyproline II helixtrans-68.8161.4172.329.3-33.8000111.3L321 I570 F608P319-L321 PolarHBondContact O-N 2.95Å; P319-I570 HydrophobicContact CG-CG1 4.34Å; P319-F608 HydrophobicContact CB-CE2 4.02Å; P319-F608 HydrophobicContact CB-CZ 3.54Å; P319-F608 HydrophobicContact CG-CZ 4.02Å
320L76.3Confident64.1Low5 Ų564.7 Ų64.73%0.02632%0.319CS..SBendtrans-66.1118165.5-77.6177.2000108.7L386 T423 L425 A436 L438 F527 R529 Y612L320-L386 HydrophobicContact CD1-CD1 3.71Å; L320-T423 HydrophobicContact CD2-CG2 3.6Å; L320-T423 HydrophobicContact CG-CG2 3.91Å; L320-L425 HydrophobicContact CD1-CD1 4.29Å; L320-A436 HydrophobicContact CD1-CB 4.14Å; L320-A436 HydrophobicContact CD2-CB 3.74Å; L320-A436 HydrophobicContact CG-CB 4.23Å; L320-L438 HydrophobicContact CD2-CB 4.29Å; L320-F527 HydrophobicContact CD1-CE2 4.39Å; L320-R529 PolarHBondContact O-NH1 3.17Å; L320-R529 PolarHBondContact O-NH2 2.86Å; L320-Y612 HydrophobicContact CD1-CE1 3.63Å; L320-Y612 WeakPolarHBondContact CD1-OH 3.38Å
321L66.8Low61.3Low44 Ų4471 Ų7123%0.2335%0.352CS..  trans18.2118.2175.5-77.6173.1000118.4P319 L438 M443 R529P319-L321 PolarHBondContact O-N 2.95Å; L321-L438 HydrophobicContact CB-CD2 4.34Å; L321-L438 HydrophobicContact CD1-CB 3.97Å; L321-L438 HydrophobicContact CD1-CD2 4.12Å; L321-L438 HydrophobicContact CD1-CG 3.98Å; L321-L438 WeakPolarHBondContact CD1-O 3.3Å; L321-M443 HydrophobicContact CD1-CE 3.74Å; L321-M443 HydrophobicContact CD1-SD 3.34Å; L321-M443 WeakPolarHBondContact CD1-SD 3.15Å; L321-M443 HydrophobicContact CD2-CE 3.74Å; L321-M443 HydrophobicContact CD2-SD 3.91Å; L321-M443 HydrophobicContact CG-CE 4.08Å; L321-M443 HydrophobicContact CG-SD 4.19Å; L321-R529 PolarHBondContact O-NH1 3.39Å
322T48.5Very low58.5Low38 Ų3875.4 Ų75.423%0.23338%0.376CS..  trans-101.6124149.647.20000108.4T324 I570 F608T322-T324 PolarHBondContact O-N 2.8Å; T322-I570 HydrophobicContact CG2-CD1 3.5Å; T322-I570 VanDerWaalsContact CG2-CD1 3.5Å; T322-F608 HydrophobicContact CG2-CD1 4.44Å; T322-F608 HydrophobicContact CG2-CE1 3.65Å; T322-F608 HydrophobicContact CG2-CZ 3.98Å
323H42.8Very low55.7Low126 Ų12680.1 Ų80.158%0.58340%0.401SS*.SBendtrans-71.320.2167.6-96.3-75.3000112.5
324T34.6Very low53.2Low52 Ų5283 Ų8332%0.31941%0.412SS..SBendtrans-140.6108.2-169.949.10000110.4T322T322-T324 PolarHBondContact O-N 2.8Å
325I33.2Very low50.6Low65 Ų6586 Ų8633%0.33344%0.435SS..SBendtrans85.8114.5150.3-65.8106.8000119.7E604I325-E604 HydrophobicContact CB-CB 4Å; I325-E604 HydrophobicContact CD1-CB 3.39Å; I325-E604 HydrophobicContact CD1-CG 3.81Å; I325-E604 WeakPolarHBondContact CD1-O 3.5Å; I325-E604 HydrophobicContact CG1-CB 3.54Å; I325-E604 HydrophobicContact CG1-CG 3.92Å; I325-E604 HydrophobicContact CG2-CB 3.83Å; I325-E604 WeakPolarHBondContact CG2-OE2 3.4Å
326H29.9Very low47.5Very low114 Ų11493.4 Ų93.453%0.52848%0.475SS..  trans56.777.6155.3-65.6-47.8000119.1
327H32.1Very low44.9Very low150 Ų15097 Ų9769%0.69449%0.49SS*.  trans-132.454.3137.5-85.8-84.6000108.8Q329 D330H327-Q329 VanDerWaalsContact C-N 3.3Å; H327-D330 IonicContact CE1-OD2 2.67Å; H327-D330 IonicContact ND1-OD2 3.09Å; H327-D330 PolarHBondContact ND1-OD2 2.86Å
328D31.7Very low42.3Very low148 Ų148105.3 Ų105.379%0.79153%0.525SS*.  trans-91.811167.5-85.8-19.1000111.7
329Q29.7Very low39.9Very low184 Ų184106.1 Ų106.186%0.8654%0.535SS*.  trans-112.8-6.3176.1-73.5-162.5-11.900114.9H327 N331H327-Q329 VanDerWaalsContact C-N 3.3Å; Q329-N331 PolarHBondContact O-N 2.83Å
330D35.3Very low38Very low63 Ų63106.6 Ų106.634%0.33754%0.539SS..  trans-78.181.5158.3-66.3-42.6000106.4H327 D332H327-D330 IonicContact CE1-OD2 2.67Å; H327-D330 IonicContact ND1-OD2 3.09Å; H327-D330 PolarHBondContact ND1-OD2 2.86Å; D330-D332 PolarHBondContact O-N 2.85Å
331N28Very low36.1Very low149 Ų149113.6 Ų113.680%0.79757%0.572SS**  trans-59.667.7143.7-77.2-32.2000106.3Q329 Q333Q329-N331 PolarHBondContact O-N 2.83Å; N331-Q333 VanDerWaalsContact C-N 3.26Å; N331-Q333 PolarHBondContact O-N 2.84Å
332D34.7Very low34.7Very low94 Ų94117.7 Ų117.750%0.50360%0.599SS.*  trans-53.8107.8158.4-86.7-24.2000102.8D330 E334D330-D332 PolarHBondContact O-N 2.85Å; D332-E334 PolarHBondContact O-N 2.94Å
333Q32.8Very low34.5Very low190 Ų190119.4 Ų119.489%0.88861%0.606SS**  trans-48.5102.2173.9-74.7-177.1-29.200105.5N331 S335N331-Q333 VanDerWaalsContact C-N 3.26Å; N331-Q333 PolarHBondContact O-N 2.84Å; Q333-S335 VanDerWaalsContact C-N 3.31Å; Q333-S335 PolarHBondContact O-N 2.75Å
334E34.4Very low34.6Very low135 Ų135118 Ų11863%0.63161%0.61SS**  trans-51.9104.1-176.4-71.2175156.200104.9D332 N336 H448D332-E334 PolarHBondContact O-N 2.94Å; E334-N336 PolarHBondContact O-N 2.81Å; E334-H448 IonicContact OE1-CD2 3.76Å; E334-H448 IonicContact OE1-CE1 3.4Å; E334-H448 IonicContact OE1-NE2 3.1Å; E334-H448 PolarHBondContact OE1-NE2 3.34Å; E334-H448 IonicContact OE2-CE1 3.95Å; E334-H448 IonicContact OE2-NE2 2.72Å; E334-H448 PolarHBondContact OE2-NE2 3.16Å
335S34.5Very low35.5Very low89 Ų89117.6 Ų117.662%0.62261%0.61SS**  trans-56.6115174.753.70000103.5Q333 F337Q333-S335 VanDerWaalsContact C-N 3.31Å; Q333-S335 PolarHBondContact O-N 2.75Å; S335-F337 PolarHBondContact O-N 2.79Å
336N29.8Very low36.7Very low158 Ų158119.4 Ų119.485%0.84563%0.628SS**  trans-45.7101174.7-80.4-46000105.9E334 K338E334-N336 PolarHBondContact O-N 2.81Å; N336-K338 PolarHBondContact O-N 3.36Å
337F35.5Very low38.8Very low107 Ų107119.4 Ų119.447%0.46963%0.632SS.*  trans-69.590.1-177.1-122.1-87.6000103S335 L339 V415 P416S335-F337 PolarHBondContact O-N 2.79Å; F337-L339 PolarHBondContact O-N 3.31Å; F337-V415 HydrophobicContact CE1-CG1 4.37Å; F337-P416 HydrophobicContact CE1-CG 3.8Å; F337-P416 HydrophobicContact CZ-CG 3.9Å
338K33.9Very low41.3Very low185 Ų185114 Ų11480%0.80461%0.607SS**  trans-53.8112.2149.4-80.5-174.1178.1178.80102N336 S340N336-K338 PolarHBondContact O-N 3.36Å; K338-S340 PolarHBondContact O-N 3.43Å
339L34.7Very low43.9Very low97 Ų97113 Ų11351%0.50860%0.596SS.*  trans-41.5106.8161.4-138.292.3000103.4F337 Q341F337-L339 PolarHBondContact O-N 3.31Å; L339-Q341 HydrophobicContact CB-CG 4.24Å; L339-Q341 HydrophobicContact CD2-CG 3.67Å; L339-Q341 HydrophobicContact CG-CG 4.41Å; L339-Q341 PolarHBondContact O-N 3.09Å
340S38.7Very low46.7Very low46 Ų46106.5 Ų106.532%0.32256%0.564SS.*  trans-73.763.7173.859.40000104.9K338 T342K338-S340 PolarHBondContact O-N 3.43Å; S340-T342 VanDerWaalsContact C-N 3.32Å; S340-T342 PolarHBondContact O-N 3.01Å
341Q36.5Very low49.2Very low151 Ų151105.6 Ų105.671%0.70656%0.558SS**THydrogen-bonded Turntrans-50.8113.8151.8-67.2-175.3-4.900102.8L339L339-Q341 HydrophobicContact CB-CG 4.24Å; L339-Q341 HydrophobicContact CD2-CG 3.67Å; L339-Q341 HydrophobicContact CG-CG 4.41Å; L339-Q341 PolarHBondContact O-N 3.09Å
342T36.7Very low52.1Low131 Ų131102.2 Ų102.280%0.80454%0.54SS*.THydrogen-bonded Turntrans71.770.3178.875.30000115.7S340 S344S340-T342 VanDerWaalsContact C-N 3.32Å; S340-T342 PolarHBondContact O-N 3.01Å; T342-S344 PolarHBondContact O-N 2.95Å
343I45Very low54.6Low73 Ų73101.4 Ų101.437%0.37453%0.532SS..  -57.4131.1124.8-63.8173.3000103.8S345 F414I343-S345 PolarHBondContact O-N 2.84Å; I343-F414 HydrophobicContact CD1-CE1 4.38Å
344S46Very low57Low97 Ų9795.5 Ų95.568%0.67851%0.509SS*.SBendtrans-61.65817833.50000111.9T342 S346T342-S344 PolarHBondContact O-N 2.95Å; S344-S346 PolarHBondContact O-N 3.27Å; S344-S346 VanDerWaalsContact O-N 3.16Å
345S52Low59.1Low44 Ų4495.1 Ų95.131%0.30851%0.511SS..G310 helixtrans-71.1-2.1179.866.70000112.4I343 N347I343-S345 PolarHBondContact O-N 2.84Å; S345-N347 PolarHBondContact O-N 3.47Å
346S58.1Low61.2Low102 Ų10294 Ų9471%0.71350%0.497SS*.G310 helixtrans-64.3-21.5-177.761.10000112.9S344S344-S346 PolarHBondContact O-N 3.27Å; S344-S346 VanDerWaalsContact O-N 3.16Å
347N75.6Confident63.5Low115 Ų11590.5 Ų90.562%0.61548%0.481SS*.G310 helixtrans-112-6.9-174.1-64.59.8000114.4S345 N368S345-N347 PolarHBondContact O-N 3.47Å; N347-N368 WeakPolarHBondContact O-CB 3.24Å
348M83Confident65.6Low36 Ų3689.6 Ų89.618%0.17748%0.481CS..SBendtrans-78.8143.7177-78.6-179.2152.600110.9N368 L371 T474M348-N368 VanDerWaalsContact CG-O 3.29Å; M348-N368 WeakPolarHBondContact CG-O 3.34Å; M348-L371 HydrophobicContact CB-CD1 3.85Å; M348-L371 HydrophobicContact CB-CG 4.03Å; M348-L371 HydrophobicContact SD-CD1 4.01Å; M348-L371 HydrophobicContact SD-CD2 4.06Å; M348-L371 HydrophobicContact SD-CG 3.94Å; M348-T474 WeakPolarHBondContact CE-O 3.38Å
349F86.9Confident67.9Low126 Ų12681.7 Ų81.755%0.55345%0.449SS*.EExtended strand (participates in β ladder)trans-77.5128.3178.4-171.5-107.2000110.4I351 P366 G369 L370 L371F349-I351 HydrophobicContact CD1-CD1 4.06Å; F349-I351 HydrophobicContact CD1-CG1 3.7Å; F349-I351 HydrophobicContact CE1-CD1 3.76Å; F349-I351 HydrophobicContact CE1-CG1 3.42Å; F349-I351 VanDerWaalsContact CE1-CG1 3.42Å; F349-P366 HydrophobicContact CB-CG 4.02Å; F349-G369 PolarHBondContact N-O 3.45Å; F349-L370 HydrophobicContact CB-CD1 4.45Å; F349-L370 HydrophobicContact CD1-CD1 3.73Å; F349-L370 CarbonylContact O-C 3.57Å; F349-L370 WeakPolarHBondContact O-CA 3.32Å; F349-L371 PolarHBondContact O-N 3.38Å
350W87.7Confident70.3Confident49 Ų4979.2 Ų79.219%0.18644%0.436CS..EExtended strand (participates in β ladder)trans-98.9134.4178.4-74.881.4000111.2L371 H410 F414 V471W350-L371 CarbonylContact C-O 3.59Å; W350-L371 WeakPolarHBondContact CA-O 3.47Å; W350-L371 HydrophobicContact CD2-CB 3.82Å; W350-L371 HydrophobicContact CD2-CD1 4.02Å; W350-L371 HydrophobicContact CE3-CB 3.84Å; W350-L371 HydrophobicContact CG-CB 4.33Å; W350-L371 HydrophobicContact CH2-CB 4.38Å; W350-L371 HydrophobicContact CH2-CD1 3.89Å; W350-L371 HydrophobicContact CZ2-CB 4.38Å; W350-L371 HydrophobicContact CZ2-CD1 3.3Å; W350-L371 HydrophobicContact CZ2-CG 4.42Å; W350-L371 HydrophobicContact CZ3-CB 4.12Å; W350-L371 HydrophobicContact CZ3-CD1 4.45Å; W350-H410 HydrophobicContact CD2-CB 3.99Å; W350-H410 AromaticContact CD2-CG 3.82Å; W350-H410 HydrophobicContact CE3-CB 3.78Å; W350-H410 AromaticContact CE3-CG 3.89Å; W350-H410 AromaticContact CG-CD2 3.79Å; W350-H410 AromaticContact CG-CG 3.99Å; W350-H410 AromaticContact CG-NE2 3.93Å; W350-H410 HydrophobicContact CH2-CB 4.27Å; W350-H410 HydrophobicContact CZ2-CB 4.44Å; W350-H410 HydrophobicContact CZ3-CB 3.94Å; W350-F414 HydrophobicContact CH2-CD2 4.14Å; W350-F414 AromaticContact CH2-CE2 3.93Å; W350-F414 HydrophobicContact CH2-CE2 3.93Å; W350-V471 HydrophobicContact CH2-CG1 4.29Å; W350-V471 HydrophobicContact CZ3-CG1 3.92Å; W350-V471 HydrophobicContact CZ3-CG2 4.04Å
351I89.2Confident72.6Confident43 Ų4378 Ų7822%0.22143%0.425CS..EExtended strand (participates in β ladder)trans-125.8120.2169.5-60.2-179.9000108.7F349 K353 F363 L370 L371 V372 K373F349-I351 HydrophobicContact CD1-CD1 4.06Å; F349-I351 HydrophobicContact CD1-CG1 3.7Å; F349-I351 HydrophobicContact CE1-CD1 3.76Å; F349-I351 HydrophobicContact CE1-CG1 3.42Å; F349-I351 VanDerWaalsContact CE1-CG1 3.42Å; I351-K353 HydrophobicContact CG2-CD 4.45Å; I351-K353 HydrophobicContact CG2-CG 4.02Å; I351-F363 HydrophobicContact CD1-CD1 3.95Å; I351-F363 HydrophobicContact CD1-CE1 4.19Å; I351-F363 HydrophobicContact CG2-CE1 4.35Å; I351-L370 HydrophobicContact CB-CD1 4.42Å; I351-L370 HydrophobicContact CD1-CD1 3.48Å; I351-L370 VanDerWaalsContact CD1-CD1 3.48Å; I351-L370 HydrophobicContact CG1-CD1 3.67Å; I351-L371 PolarHBondContact N-O 2.89Å; I351-V372 CarbonylContact O-C 3.5Å; I351-V372 WeakPolarHBondContact O-CA 3.2Å; I351-K373 PolarHBondContact O-N 3.16Å
352D88.1Confident75.1Confident79 Ų7974.5 Ų74.542%0.42241%0.412SS..EExtended strand (participates in β ladder)trans-90.2111.4174-66.1-29.1000109.9K373 H410D352-K373 WeakPolarHBondContact OD1-CB 3.41Å; D352-K373 WeakPolarHBondContact OD1-CD 2.89Å; D352-H410 IonicContact OD1-ND1 3.12Å; D352-H410 PolarHBondContact OD1-ND1 2.85Å; D352-H410 IonicContact OD2-CE1 3.66Å; D352-H410 IonicContact OD2-ND1 3.83Å; D352-H410 PolarHBondContact OD2-ND1 3.29Å
353K88.2Confident77.5Confident77 Ų7769.1 Ų69.134%0.33538%0.377SS..EExtended strand (participates in β ladder)trans-110.562.9173.4-74.6-61.9-174.2179.50109.8I351 Q356 M361 F363 V372 K373 F374I351-K353 HydrophobicContact CG2-CD 4.45Å; I351-K353 HydrophobicContact CG2-CG 4.02Å; K353-Q356 HydrophobicContact CB-CG 4.04Å; K353-M361 HydrophobicContact CB-SD 4.35Å; K353-M361 HydrophobicContact CD-SD 4.12Å; K353-M361 HydrophobicContact CG-SD 4Å; K353-F363 HydrophobicContact CG-CE1 4.43Å; K353-F363 HydrophobicContact CG-CZ 4.13Å; K353-V372 HydrophobicContact CB-CG1 4.2Å; K353-V372 HydrophobicContact CG-CG1 3.99Å; K353-K373 CarbonylContact C-O 3.39Å; K353-K373 WeakPolarHBondContact CA-O 3.39Å; K353-K373 PolarHBondContact N-O 2.89Å; K353-F374 HydrophobicContact CB-CD1 3.81Å; K353-F374 HydrophobicContact CB-CE1 3.6Å; K353-F374 HydrophobicContact CG-CE1 4.3Å
354T82.3Confident79.5Confident65 Ų6574.4 Ų74.440%0.39939%0.393SS..EExtended strand (participates in β ladder)trans-71.1153.318059.70000112.1Q356 G375 Y469T354-Q356 PolarHBondContact O-N 3.22Å; T354-Q356 VanDerWaalsContact O-N 3.13Å; T354-G375 CarbonylContact C-O 3.57Å; T354-G375 WeakPolarHBondContact CA-O 2.79Å; T354-G375 WeakPolarHBondContact CB-O 3.09Å; T354-Y469 HydrophobicContact CG2-CE1 4.13Å
355N79.7Confident81.4Confident127 Ų12770 Ų7068%0.67936%0.362SS*.THydrogen-bonded Turntrans54.727.3179.5-57.7-20.6000115.1G375N355-G375 PolarHBondContact N-O 3.37Å
356Q78.6Confident83Confident67 Ų6770 Ų7031%0.31336%0.362SS..  trans-87.4119.3171.6-68.5-65.8-50.500109.7K353 T354 S359 M361K353-Q356 HydrophobicContact CB-CG 4.04Å; T354-Q356 PolarHBondContact O-N 3.22Å; T354-Q356 VanDerWaalsContact O-N 3.13Å; Q356-S359 PolarHBondContact OE1-OG 3.08Å; Q356-S359 VanDerWaalsContact OE1-OG 3.11Å; Q356-M361 HydrophobicContact CB-CE 4.39Å; Q356-M361 HydrophobicContact CG-CE 4.49Å; Q356-M361 HydrophobicContact CG-SD 4.28Å
357T77.1Confident84.2Confident84 Ų8471.6 Ų71.652%0.51535%0.353SS..  trans-122.4135.7172.755.70000108.3S359 T489T357-S359 PolarHBondContact O-N 3.39Å; T357-T489 WeakPolarHBondContact CB-OG1 3.48Å; T357-T489 WeakPolarHBondContact CG2-OG1 3.45Å
358N79.8Confident84.6Confident87 Ų8770.4 Ų70.447%0.46535%0.346SS..SBendtrans55.552.7172.4-54.8-5000113.1V487 D488 T489N358-V487 CarbonylContact C-O 3.55Å; N358-V487 WeakPolarHBondContact CA-O 2.92Å; N358-V487 PolarHBondContact N-O 3.35Å; N358-V487 VanDerWaalsContact N-O 3.1Å; N358-D488 WeakPolarHBondContact OD1-CA 3.49Å; N358-D488 PolarHBondContact OD1-OD1 3.46Å; N358-T489 PolarHBondContact OD1-N 3.27Å; N358-T489 PolarHBondContact OD1-O 2.9Å; N358-T489 PolarHBondContact OD1-OG1 2.84Å
359S82.6Confident84.8Confident19 Ų1968.7 Ų68.713%0.13334%0.338CS..EExtended strand (participates in β ladder)trans-129.3146.4-176.8660000113.8Q356 T357 M361 V487Q356-S359 PolarHBondContact OE1-OG 3.08Å; Q356-S359 VanDerWaalsContact OE1-OG 3.11Å; T357-S359 PolarHBondContact O-N 3.39Å; S359-M361 WeakPolarHBondContact OG-CE 3.22Å; S359-V487 PolarHBondContact N-O 3.18Å; S359-V487 PolarHBondContact O-N 3.05Å; S359-V487 VanDerWaalsContact O-N 3.08Å
360I83.9Confident84.9Confident45 Ų4562.7 Ų62.723%0.23131%0.312CS..EExtended strand (participates in β ladder)trans-103.5123.3171.7-40.7-145.7000107.9F486 F561 P615I360-F486 HydrophobicContact CB-CD2 4.4Å; I360-F486 HydrophobicContact CD1-CD2 3.84Å; I360-F486 HydrophobicContact CD1-CE2 4.22Å; I360-F486 HydrophobicContact CG1-CD2 3.65Å; I360-F486 HydrophobicContact CG1-CE2 3.98Å; I360-F561 HydrophobicContact CD1-CB 4.25Å; I360-P615 HydrophobicContact CD1-CG 3.59Å; I360-P615 HydrophobicContact CG1-CG 4.26Å
361M88Confident85Confident20 Ų2060.5 Ų60.510%0.09930%0.304CS..EExtended strand (participates in β ladder)trans-126.9135.8-179.4-70.8167-77.800110.6K353 Q356 S359 F363 F374 T484 I485 V487K353-M361 HydrophobicContact CB-SD 4.35Å; K353-M361 HydrophobicContact CD-SD 4.12Å; K353-M361 HydrophobicContact CG-SD 4Å; Q356-M361 HydrophobicContact CB-CE 4.39Å; Q356-M361 HydrophobicContact CG-CE 4.49Å; Q356-M361 HydrophobicContact CG-SD 4.28Å; S359-M361 WeakPolarHBondContact OG-CE 3.22Å; M361-F363 HydrophobicContact CB-CD2 4.28Å; M361-F363 HydrophobicContact CB-CE2 3.41Å; M361-F363 VanDerWaalsContact CB-CE2 3.41Å; M361-F363 HydrophobicContact CB-CZ 3.65Å; M361-F363 HydrophobicContact CG-CE2 4.46Å; M361-F363 HydrophobicContact CG-CZ 4.29Å; M361-F363 HydrophobicContact SD-CE2 4.48Å; M361-F363 HydrophobicContact SD-CZ 4Å; M361-F374 HydrophobicContact CE-CD1 4.27Å; M361-F374 HydrophobicContact CE-CE1 3.3Å; M361-F374 HydrophobicContact CE-CZ 3.86Å; M361-F374 HydrophobicContact SD-CE1 4.03Å; M361-T484 WeakPolarHBondContact O-CA 3.42Å; M361-I485 PolarHBondContact N-O 2.81Å; M361-I485 PolarHBondContact O-N 2.82Å; M361-V487 HydrophobicContact CE-CG2 4.33Å
362N87.9Confident85.1Confident79 Ų7958.4 Ų58.442%0.42229%0.293SS..EExtended strand (participates in β ladder)trans-108.1132173.6-64.9-11.4000108.7M483 T484N362-M483 CarbonylContact C-O 3.55Å; N362-M483 WeakPolarHBondContact CA-O 3.18Å; N362-T484 WeakPolarHBondContact OD1-CG2 3.21Å
363F88.4Confident85.3Confident17 Ų1755.1 Ų55.18%0.07528%0.275CS..EExtended strand (participates in β ladder)trans-123.7137.3178-59.5-83000109.7I351 K353 M361 L370 V372 M483 I485I351-F363 HydrophobicContact CD1-CD1 3.95Å; I351-F363 HydrophobicContact CD1-CE1 4.19Å; I351-F363 HydrophobicContact CG2-CE1 4.35Å; K353-F363 HydrophobicContact CG-CE1 4.43Å; K353-F363 HydrophobicContact CG-CZ 4.13Å; M361-F363 HydrophobicContact CB-CD2 4.28Å; M361-F363 HydrophobicContact CB-CE2 3.41Å; M361-F363 VanDerWaalsContact CB-CE2 3.41Å; M361-F363 HydrophobicContact CB-CZ 3.65Å; M361-F363 HydrophobicContact CG-CE2 4.46Å; M361-F363 HydrophobicContact CG-CZ 4.29Å; M361-F363 HydrophobicContact SD-CE2 4.48Å; M361-F363 HydrophobicContact SD-CZ 4Å; F363-L370 HydrophobicContact CB-CD2 3.55Å; F363-L370 HydrophobicContact CD1-CD2 4.26Å; F363-L370 HydrophobicContact CG-CD2 3.95Å; F363-V372 HydrophobicContact CD1-CG2 4.39Å; F363-V372 HydrophobicContact CD2-CG2 4.31Å; F363-V372 HydrophobicContact CE1-CG1 4.31Å; F363-V372 HydrophobicContact CE1-CG2 4.31Å; F363-V372 HydrophobicContact CE2-CG1 4.23Å; F363-V372 HydrophobicContact CE2-CG2 4.22Å; F363-V372 HydrophobicContact CG-CG2 4.39Å; F363-V372 HydrophobicContact CZ-CG1 3.81Å; F363-V372 HydrophobicContact CZ-CG2 4.22Å; F363-M483 PolarHBondContact N-O 2.87Å; F363-M483 PolarHBondContact O-N 3.1Å; F363-I485 HydrophobicContact CD2-CD1 3.87Å; F363-I485 HydrophobicContact CD2-CG1 4.05Å; F363-I485 HydrophobicContact CE2-CB 4.25Å; F363-I485 HydrophobicContact CE2-CD1 3.75Å; F363-I485 HydrophobicContact CE2-CG1 4.07Å
364Y87.1Confident85.5Confident184 Ų18451.4 Ų51.472%0.72226%0.259SS*.EExtended strand (participates in β ladder)trans-79.8123.3164-69.9-80.2000108.1P366 N482Y364-P366 WeakPolarHBondContact O-CD 3.11Å; Y364-N482 WeakPolarHBondContact CD1-OD1 3.26Å; Y364-N482 WeakPolarHBondContact CE1-OD1 3.35Å
365V85.4Confident85.8Confident5 Ų548.3 Ų48.33%0.0324%0.24CC..PPolyproline II helixtrans-83.8116.6-179.4-177.10000109.3T474 N477 D481 M483V365-T474 HydrophobicContact CG1-CG2 4.27Å; V365-T474 VanDerWaalsContact CG1-OG1 3.25Å; V365-T474 WeakPolarHBondContact CG1-OG1 3.37Å; V365-T474 HydrophobicContact CG2-CG2 3.91Å; V365-N477 HydrophobicContact CB-CB 4.31Å; V365-N477 HydrophobicContact CG1-CB 3.71Å; V365-D481 WeakPolarHBondContact CG2-O 3.43Å; V365-D481 PolarHBondContact N-O 3.48Å; V365-M483 HydrophobicContact CG2-CB 3.71Å
366P85.2Confident86.2Confident45 Ų4543.6 Ų43.629%0.29222%0.216SC..PPolyproline II helixtrans-71.1158.4175.532.4-32.6000110.3F349 Y364 N368 G369 L370F349-P366 HydrophobicContact CB-CG 4.02Å; Y364-P366 WeakPolarHBondContact O-CD 3.11Å; P366-N368 PolarHBondContact O-N 2.76Å; P366-N368 VanDerWaalsContact O-N 3.15Å; P366-G369 WeakPolarHBondContact CG-O 3.06Å; P366-G369 PolarHBondContact O-N 3.29Å; P366-L370 HydrophobicContact CG-CB 4.4Å
367Y83.8Confident86.6Confident134 Ų13440.9 Ų40.953%0.52520%0.203SC..THydrogen-bonded Turntrans-51.9-40.8-179-178.4-98.2000113.5G369 I476 P478Y367-G369 PolarHBondContact O-N 2.81Å; Y367-I476 WeakPolarHBondContact O-CG2 3.18Å; Y367-P478 HydrophobicContact CE2-CB 4.37Å
368N84.5Confident86.9Confident90 Ų9037.8 Ų37.848%0.48118%0.183SC..THydrogen-bonded Turntrans-76.2-5.8-179.6-66-4.4000114.2N347 M348 P366N347-N368 WeakPolarHBondContact O-CB 3.24Å; M348-N368 VanDerWaalsContact CG-O 3.29Å; M348-N368 WeakPolarHBondContact CG-O 3.34Å; P366-N368 PolarHBondContact O-N 2.76Å; P366-N368 VanDerWaalsContact O-N 3.15Å
369G86Confident87Confident0 Ų040.2 Ų40.20%019%0.194CC..  trans89.2162.7-174.100000114.4F349 P366 Y367F349-G369 PolarHBondContact N-O 3.45Å; P366-G369 WeakPolarHBondContact CG-O 3.06Å; P366-G369 PolarHBondContact O-N 3.29Å; Y367-G369 PolarHBondContact O-N 2.81Å
370L89.7Confident86.9Confident1 Ų142.8 Ų42.81%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-130135.9-171175.470.6000110.2F349 I351 F363 P366 V372 T474F349-L370 HydrophobicContact CB-CD1 4.45Å; F349-L370 HydrophobicContact CD1-CD1 3.73Å; F349-L370 CarbonylContact O-C 3.57Å; F349-L370 WeakPolarHBondContact O-CA 3.32Å; I351-L370 HydrophobicContact CB-CD1 4.42Å; I351-L370 HydrophobicContact CD1-CD1 3.48Å; I351-L370 VanDerWaalsContact CD1-CD1 3.48Å; I351-L370 HydrophobicContact CG1-CD1 3.67Å; F363-L370 HydrophobicContact CB-CD2 3.55Å; F363-L370 HydrophobicContact CD1-CD2 4.26Å; F363-L370 HydrophobicContact CG-CD2 3.95Å; P366-L370 HydrophobicContact CG-CB 4.4Å; L370-V372 HydrophobicContact CD1-CG2 4.23Å; L370-V372 HydrophobicContact CD2-CG2 3.63Å; L370-V372 HydrophobicContact CG-CG2 3.72Å; L370-T474 HydrophobicContact CB-CG2 4.05Å; L370-T474 WeakPolarHBondContact CB-OG1 3.35Å; L370-T474 PolarHBondContact N-OG1 2.79Å; L370-T474 PolarHBondContact O-N 3.25Å; L370-T474 PolarHBondContact O-OG1 3.45Å
371L90.1Very high86.8Confident2 Ų245.1 Ų45.11%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-118.3114.1172-65.9173.3000108.5M348 F349 W350 I351 F414 V471 V472 S473M348-L371 HydrophobicContact CB-CD1 3.85Å; M348-L371 HydrophobicContact CB-CG 4.03Å; M348-L371 HydrophobicContact SD-CD1 4.01Å; M348-L371 HydrophobicContact SD-CD2 4.06Å; M348-L371 HydrophobicContact SD-CG 3.94Å; F349-L371 PolarHBondContact O-N 3.38Å; W350-L371 CarbonylContact C-O 3.59Å; W350-L371 WeakPolarHBondContact CA-O 3.47Å; W350-L371 HydrophobicContact CD2-CB 3.82Å; W350-L371 HydrophobicContact CD2-CD1 4.02Å; W350-L371 HydrophobicContact CE3-CB 3.84Å; W350-L371 HydrophobicContact CG-CB 4.33Å; W350-L371 HydrophobicContact CH2-CB 4.38Å; W350-L371 HydrophobicContact CH2-CD1 3.89Å; W350-L371 HydrophobicContact CZ2-CB 4.38Å; W350-L371 HydrophobicContact CZ2-CD1 3.3Å; W350-L371 HydrophobicContact CZ2-CG 4.42Å; W350-L371 HydrophobicContact CZ3-CB 4.12Å; W350-L371 HydrophobicContact CZ3-CD1 4.45Å; I351-L371 PolarHBondContact N-O 2.89Å; L371-F414 HydrophobicContact CD2-CZ 4.49Å; L371-V471 HydrophobicContact CB-CG1 3.99Å; L371-V471 HydrophobicContact CD2-CG1 4.06Å; L371-V472 WeakPolarHBondContact CA-O 3.38Å; L371-S473 VanDerWaalsContact CD2-CB 3.43Å; L371-S473 WeakPolarHBondContact CD2-OG 3.39Å
372V91.5Very high86.5Confident0 Ų050.5 Ų50.50%025%0.249CC..EExtended strand (participates in β ladder)trans-106.1116.6178.6-169.20000109.7I351 K353 F363 L370 F374 V471 V472 I485I351-V372 CarbonylContact O-C 3.5Å; I351-V372 WeakPolarHBondContact O-CA 3.2Å; K353-V372 HydrophobicContact CB-CG1 4.2Å; K353-V372 HydrophobicContact CG-CG1 3.99Å; F363-V372 HydrophobicContact CD1-CG2 4.39Å; F363-V372 HydrophobicContact CD2-CG2 4.31Å; F363-V372 HydrophobicContact CE1-CG1 4.31Å; F363-V372 HydrophobicContact CE1-CG2 4.31Å; F363-V372 HydrophobicContact CE2-CG1 4.23Å; F363-V372 HydrophobicContact CE2-CG2 4.22Å; F363-V372 HydrophobicContact CG-CG2 4.39Å; F363-V372 HydrophobicContact CZ-CG1 3.81Å; F363-V372 HydrophobicContact CZ-CG2 4.22Å; L370-V372 HydrophobicContact CD1-CG2 4.23Å; L370-V372 HydrophobicContact CD2-CG2 3.63Å; L370-V372 HydrophobicContact CG-CG2 3.72Å; V372-F374 HydrophobicContact CB-CE2 3.99Å; V372-F374 HydrophobicContact CB-CZ 4.11Å; V372-F374 HydrophobicContact CG1-CD2 4.44Å; V372-F374 HydrophobicContact CG1-CE1 3.87Å; V372-F374 HydrophobicContact CG1-CE2 3.66Å; V372-F374 HydrophobicContact CG1-CZ 3.33Å; V372-V471 WeakPolarHBondContact O-CA 3.37Å; V372-V472 PolarHBondContact N-O 2.78Å; V372-V472 PolarHBondContact O-N 2.8Å; V372-I485 HydrophobicContact CB-CD1 4.13Å; V372-I485 HydrophobicContact CG2-CD1 4.04Å
373K91.8Very high86.5Confident9 Ų947.8 Ų47.84%0.03923%0.234CC..EExtended strand (participates in β ladder)trans-96.6125.2-178-178.4-178.3173.2-175.30111.3I351 D352 K353 H410 Y469 V471I351-K373 PolarHBondContact O-N 3.16Å; D352-K373 WeakPolarHBondContact OD1-CB 3.41Å; D352-K373 WeakPolarHBondContact OD1-CD 2.89Å; K353-K373 CarbonylContact C-O 3.39Å; K353-K373 WeakPolarHBondContact CA-O 3.39Å; K353-K373 PolarHBondContact N-O 2.89Å; K373-H410 PolarHBondContact NZ-O 2.98Å; K373-Y469 HydrophobicContact CD-CD1 4.27Å; K373-Y469 HydrophobicContact CD-CG 4.32Å; K373-Y469 VanDerWaalsContact CE-CD2 3.49Å; K373-Y469 HydrophobicContact CG-CD1 4.09Å; K373-Y469 HydrophobicContact CG-CG 4.25Å; K373-V471 HydrophobicContact CB-CG2 4.08Å; K373-V471 HydrophobicContact CG-CG2 4.04Å
374F91.5Very high86.5Confident0 Ų048.3 Ų48.30%024%0.237CC..EExtended strand (participates in β ladder)trans-116.1147.4177.8-60.5-72.8000111.5K353 M361 V372 F377 Y469 L470 V472 I485 V487K353-F374 HydrophobicContact CB-CD1 3.81Å; K353-F374 HydrophobicContact CB-CE1 3.6Å; K353-F374 HydrophobicContact CG-CE1 4.3Å; M361-F374 HydrophobicContact CE-CD1 4.27Å; M361-F374 HydrophobicContact CE-CE1 3.3Å; M361-F374 HydrophobicContact CE-CZ 3.86Å; M361-F374 HydrophobicContact SD-CE1 4.03Å; V372-F374 HydrophobicContact CB-CE2 3.99Å; V372-F374 HydrophobicContact CB-CZ 4.11Å; V372-F374 HydrophobicContact CG1-CD2 4.44Å; V372-F374 HydrophobicContact CG1-CE1 3.87Å; V372-F374 HydrophobicContact CG1-CE2 3.66Å; V372-F374 HydrophobicContact CG1-CZ 3.33Å; F374-F377 VanDerWaalsContact C-CE2 3.5Å; F374-F377 HydrophobicContact CB-CE2 3.46Å; F374-F377 VanDerWaalsContact CB-CE2 3.46Å; F374-F377 HydrophobicContact CB-CZ 3.73Å; F374-Y469 CarbonylContact O-C 3.54Å; F374-Y469 WeakPolarHBondContact O-CA 3.4Å; F374-Y469 VanDerWaalsContact O-CB 3.28Å; F374-Y469 WeakPolarHBondContact O-CB 3.36Å; F374-Y469 WeakPolarHBondContact O-CD1 3.43Å; F374-L470 PolarHBondContact N-O 3.43Å; F374-L470 PolarHBondContact O-N 3.23Å; F374-V472 HydrophobicContact CD2-CG2 4.19Å; F374-V472 HydrophobicContact CE2-CB 4.32Å; F374-V472 HydrophobicContact CE2-CG2 3.89Å; F374-I485 HydrophobicContact CE2-CD1 4.08Å; F374-I485 HydrophobicContact CE2-CG2 3.94Å; F374-I485 HydrophobicContact CZ-CB 4.45Å; F374-I485 HydrophobicContact CZ-CD1 4.07Å; F374-I485 HydrophobicContact CZ-CG2 3.87Å; F374-V487 HydrophobicContact CD1-CG2 4.21Å; F374-V487 HydrophobicContact CD2-CG2 4.46Å; F374-V487 HydrophobicContact CE1-CG2 4.12Å; F374-V487 HydrophobicContact CE2-CG2 4.35Å; F374-V487 HydrophobicContact CG-CG2 4.38Å; F374-V487 HydrophobicContact CZ-CG2 4.16Å
375G88.2Confident86.6Confident0 Ų039.6 Ų39.60%020%0.203CC..EExtended strand (participates in β ladder)trans123-164.1179.300000113.6T354 N355 Y469T354-G375 CarbonylContact C-O 3.57Å; T354-G375 WeakPolarHBondContact CA-O 2.79Å; T354-G375 WeakPolarHBondContact CB-O 3.09Å; N355-G375 PolarHBondContact N-O 3.37Å; G375-Y469 VanDerWaalsContact C-CD1 3.5Å
376P88.3Confident86.8Confident27 Ų2739.3 Ų39.318%0.17520%0.201CC..EExtended strand (participates in β ladder)cis-67.51485.230.2-35.1000111.6K467 L468 Y469P376-K467 HydrophobicContact CB-CB 4.1Å; P376-K467 HydrophobicContact CB-CD 4.29Å; P376-K467 HydrophobicContact CB-CG 4.35Å; P376-K467 HydrophobicContact CG-CD 4.38Å; P376-L468 CarbonylContact C-O 3.59Å; P376-L468 VanDerWaalsContact CA-O 3.32Å; P376-L468 WeakPolarHBondContact CA-O 3.42Å; P376-Y469 HydrophobicContact CB-CE1 3.96Å; P376-Y469 HydrophobicContact CB-CE2 4.39Å; P376-Y469 HydrophobicContact CG-CE1 4.39Å
377F86.9Confident87.2Confident11 Ų1137.2 Ų37.25%0.04819%0.187CC..EExtended strand (participates in β ladder)trans-120.5166.3-177.8-73.3-46000110.8F374 I379 I385 L468 L470 V487 T489F374-F377 VanDerWaalsContact C-CE2 3.5Å; F374-F377 HydrophobicContact CB-CE2 3.46Å; F374-F377 VanDerWaalsContact CB-CE2 3.46Å; F374-F377 HydrophobicContact CB-CZ 3.73Å; F377-I379 VanDerWaalsContact C-N 3.3Å; F377-I379 PolarHBondContact O-N 3.39Å; F377-I385 HydrophobicContact CB-CD1 3.36Å; F377-I385 HydrophobicContact CD1-CD1 3.4Å; F377-I385 HydrophobicContact CD1-CG1 4.39Å; F377-I385 HydrophobicContact CD2-CD1 3.53Å; F377-I385 HydrophobicContact CE1-CD1 3.98Å; F377-I385 HydrophobicContact CE2-CD1 4.06Å; F377-I385 HydrophobicContact CE2-CG2 4.39Å; F377-I385 HydrophobicContact CG-CD1 3.14Å; F377-I385 HydrophobicContact CG-CG1 4.47Å; F377-I385 HydrophobicContact CZ-CD1 4.28Å; F377-I385 HydrophobicContact CZ-CG2 4.38Å; F377-L468 PolarHBondContact N-O 2.02Å; F377-L470 HydrophobicContact CD2-CB 4.29Å; F377-L470 HydrophobicContact CD2-CD1 3.98Å; F377-L470 HydrophobicContact CD2-CG 4.02Å; F377-L470 HydrophobicContact CE2-CB 4.22Å; F377-L470 HydrophobicContact CE2-CD1 4.11Å; F377-L470 HydrophobicContact CE2-CG 4.33Å; F377-V487 HydrophobicContact CZ-CG1 4.26Å; F377-T489 HydrophobicContact CE1-CG2 3.91Å; F377-T489 HydrophobicContact CZ-CG2 4.49Å
378F84.4Confident87.5Confident18 Ų1831.1 Ų31.18%0.07916%0.164CC..  trans6333-180-44.1-72.1000113.7N380 Q383 I385 I439 L441 L444 L468F378-N380 CarbonylContact C-O 3.44Å; F378-N380 WeakPolarHBondContact CA-O 3.4Å; F378-N380 PolarHBondContact O-N 2.96Å; F378-Q383 HydrophobicContact CD1-CB 4.33Å; F378-Q383 WeakPolarHBondContact CE1-O 3.3Å; F378-I385 HydrophobicContact CD1-CD1 4.43Å; F378-I385 HydrophobicContact CE1-CD1 3.78Å; F378-I385 HydrophobicContact CE1-CG1 4.21Å; F378-I385 HydrophobicContact CE2-CD1 4.05Å; F378-I385 HydrophobicContact CZ-CD1 3.58Å; F378-I385 HydrophobicContact CZ-CG1 4.31Å; F378-I439 HydrophobicContact CZ-CB 4.41Å; F378-I439 HydrophobicContact CZ-CG2 3.78Å; F378-L441 HydrophobicContact CB-CB 4.23Å; F378-L441 HydrophobicContact CB-CD1 4.1Å; F378-L441 HydrophobicContact CB-CD2 4.46Å; F378-L441 HydrophobicContact CB-CG 4.49Å; F378-L441 HydrophobicContact CD1-CB 3.89Å; F378-L441 HydrophobicContact CG-CB 4.13Å; F378-L441 HydrophobicContact CG-CD1 4.28Å; F378-L444 HydrophobicContact CD2-CD1 4.02Å; F378-L444 HydrophobicContact CE2-CD1 3.35Å; F378-L444 HydrophobicContact CZ-CD1 3.77Å; F378-L468 HydrophobicContact CB-CD1 4.45Å; F378-L468 HydrophobicContact CD2-CB 4.02Å; F378-L468 HydrophobicContact CD2-CD1 3.86Å
379I80.9Confident87.8Confident138 Ų13826.8 Ų26.871%0.70814%0.141SC*.SBendtrans-59.3-41.6165.9-58.4170.8000108.6F377F377-I379 VanDerWaalsContact C-N 3.3Å; F377-I379 PolarHBondContact O-N 3.39Å
380N82.4Confident88Confident74 Ų7427 Ų2740%0.39614%0.142SC..SBendtrans-92.9130.7165.4-60.8-27.2000108.8F378 E382 Q383 D491F378-N380 CarbonylContact C-O 3.44Å; F378-N380 WeakPolarHBondContact CA-O 3.4Å; F378-N380 PolarHBondContact O-N 2.96Å; N380-E382 PolarHBondContact O-N 3.07Å; N380-Q383 HydrophobicContact CB-CB 4.36Å; N380-Q383 VanDerWaalsContact O-CB 3.23Å; N380-Q383 WeakPolarHBondContact O-CB 3.3Å; N380-Q383 PolarHBondContact O-N 2.72Å; N380-Q383 VanDerWaalsContact O-N 3.12Å; N380-D491 VanDerWaalsContact ND2-CG 3.3Å; N380-D491 PolarHBondContact ND2-OD1 3Å; N380-D491 PolarHBondContact ND2-OD2 2.82Å
381P81.2Confident87.6Confident93 Ų9329.9 Ų29.960%0.60416%0.155SC*.THydrogen-bonded Turntrans-67.6-23.2-179.827.1-34.6000113.1Q383 L441P381-Q383 VanDerWaalsContact C-N 3.29Å; P381-L441 HydrophobicContact CB-CD2 3.95Å
382E81.9Confident87.4Confident133 Ų13331.2 Ų31.262%0.62116%0.163SC*.THydrogen-bonded Turntrans-83.9-1.3176.8-60.4-176.8173.900112.9N380 H384 D491N380-E382 PolarHBondContact O-N 3.07Å; E382-H384 PolarHBondContact O-CE1 3.46Å; E382-H384 PolarHBondContact O-N 2.92Å; E382-H384 PolarHBondContact O-ND1 2.92Å; E382-D491 CarbonylContact C-O 3.47Å; E382-D491 WeakPolarHBondContact CB-O 3.46Å
383Q86.4Confident87Confident23 Ų2333.7 Ų33.711%0.10718%0.18CC..  trans-64.2128.2-178.6-167176.53000111.8F378 N380 P381 I385F378-Q383 HydrophobicContact CD1-CB 4.33Å; F378-Q383 WeakPolarHBondContact CE1-O 3.3Å; N380-Q383 HydrophobicContact CB-CB 4.36Å; N380-Q383 VanDerWaalsContact O-CB 3.23Å; N380-Q383 WeakPolarHBondContact O-CB 3.3Å; N380-Q383 PolarHBondContact O-N 2.72Å; N380-Q383 VanDerWaalsContact O-N 3.12Å; P381-Q383 VanDerWaalsContact C-N 3.29Å; Q383-I385 HydrophobicContact CG-CG1 4.29Å
384H88.5Confident86.4Confident28 Ų2839.8 Ų39.813%0.1321%0.208CC..EExtended strand (participates in β ladder)trans-107.5139.9173.1-64.169.6000109.7E382 L438 T440 T489 F490E382-H384 PolarHBondContact O-CE1 3.46Å; E382-H384 PolarHBondContact O-N 2.92Å; E382-H384 PolarHBondContact O-ND1 2.92Å; H384-L438 HydrophobicContact CB-CD1 4.34Å; H384-T440 WeakPolarHBondContact CD2-CG2 3.29Å; H384-T489 WeakPolarHBondContact O-CA 3.09Å; H384-F490 HydrophobicContact CB-CD1 4.2Å; H384-F490 HydrophobicContact CB-CD2 3.77Å; H384-F490 HydrophobicContact CB-CE1 3.81Å; H384-F490 HydrophobicContact CB-CE2 3.34Å; H384-F490 HydrophobicContact CB-CG 4.19Å; H384-F490 HydrophobicContact CB-CZ 3.36Å; H384-F490 AromaticContact CG-CE2 3.53Å; H384-F490 AromaticContact CG-CZ 3.91Å; H384-F490 PolarHBondContact N-O 3.43Å; H384-F490 AromaticContact ND1-CE2 3.99Å; H384-F490 PolarHBondContact O-N 3.2Å
385I89.8Confident85.9Confident0 Ų045.1 Ų45.10%024%0.237CC..EExtended strand (participates in β ladder)trans-132113.2-176.1-55.8176.1000109.1F377 F378 Q383 I387 L438 I439 L470 V487 T489F377-I385 HydrophobicContact CB-CD1 3.36Å; F377-I385 HydrophobicContact CD1-CD1 3.4Å; F377-I385 HydrophobicContact CD1-CG1 4.39Å; F377-I385 HydrophobicContact CD2-CD1 3.53Å; F377-I385 HydrophobicContact CE1-CD1 3.98Å; F377-I385 HydrophobicContact CE2-CD1 4.06Å; F377-I385 HydrophobicContact CE2-CG2 4.39Å; F377-I385 HydrophobicContact CG-CD1 3.14Å; F377-I385 HydrophobicContact CG-CG1 4.47Å; F377-I385 HydrophobicContact CZ-CD1 4.28Å; F377-I385 HydrophobicContact CZ-CG2 4.38Å; F378-I385 HydrophobicContact CD1-CD1 4.43Å; F378-I385 HydrophobicContact CE1-CD1 3.78Å; F378-I385 HydrophobicContact CE1-CG1 4.21Å; F378-I385 HydrophobicContact CE2-CD1 4.05Å; F378-I385 HydrophobicContact CZ-CD1 3.58Å; F378-I385 HydrophobicContact CZ-CG1 4.31Å; Q383-I385 HydrophobicContact CG-CG1 4.29Å; I385-I387 HydrophobicContact CG2-CD1 4.38Å; I385-I387 HydrophobicContact CG2-CG1 4Å; I385-L438 CarbonylContact O-C 3.48Å; I385-L438 WeakPolarHBondContact O-CA 3.35Å; I385-I439 PolarHBondContact N-O 2.82Å; I385-I439 PolarHBondContact O-N 2.81Å; I385-L470 HydrophobicContact CB-CD1 4.43Å; I385-L470 HydrophobicContact CD1-CD1 4.25Å; I385-L470 HydrophobicContact CG2-CD1 3.99Å; I385-V487 HydrophobicContact CG2-CG1 4.39Å; I385-T489 HydrophobicContact CG1-CG2 4.13Å; I385-T489 HydrophobicContact CG2-CG2 4.21Å
386L90.7Very high86Confident0 Ų045.4 Ų45.40%024%0.238CC..EExtended strand (participates in β ladder)trans-94.6123.4171178.664.9000109.2L320 L388 G437 L438 V487 D488 F527L320-L386 HydrophobicContact CD1-CD1 3.71Å; L386-L388 HydrophobicContact CD1-CD2 3.92Å; L386-L388 HydrophobicContact CD1-CG 4.48Å; L386-L388 HydrophobicContact CD2-CG 4.44Å; L386-L388 HydrophobicContact CG-CD2 4.25Å; L386-L388 HydrophobicContact CG-CG 4.27Å; L386-G437 CarbonylContact C-O 3.43Å; L386-G437 WeakPolarHBondContact CA-O 3.23Å; L386-L438 HydrophobicContact CB-CD1 3.97Å; L386-L438 HydrophobicContact CD1-CB 4.33Å; L386-L438 HydrophobicContact CD1-CD1 4.5Å; L386-V487 WeakPolarHBondContact O-CA 3.37Å; L386-D488 HydrophobicContact CB-CB 4.26Å; L386-D488 PolarHBondContact N-O 3.02Å; L386-D488 PolarHBondContact O-N 2.76Å; L386-F527 HydrophobicContact CD2-CB 3.6Å; L386-F527 HydrophobicContact CD2-CD2 4.27Å; L386-F527 HydrophobicContact CD2-CG 4.05Å
387I91.7Very high86.1Confident0 Ų044.2 Ų44.20%023%0.23CC..EExtended strand (participates in β ladder)trans-115.9124.1169.6-57.1179.5000108.3I385 W396 L397 A436 G437 L470 V472 I485 F486 V487I385-I387 HydrophobicContact CG2-CD1 4.38Å; I385-I387 HydrophobicContact CG2-CG1 4Å; I387-W396 HydrophobicContact CB-CH2 4.18Å; I387-W396 HydrophobicContact CB-CZ3 4.36Å; I387-W396 HydrophobicContact CG2-CH2 3.97Å; I387-W396 HydrophobicContact CG2-CZ3 3.72Å; I387-L397 HydrophobicContact CD1-CD1 4.06Å; I387-A436 CarbonylContact O-C 3.51Å; I387-A436 WeakPolarHBondContact O-CA 3.37Å; I387-G437 PolarHBondContact N-O 3.13Å; I387-G437 PolarHBondContact O-N 3.26Å; I387-L470 HydrophobicContact CD1-CB 4.02Å; I387-L470 HydrophobicContact CD1-CD1 3.72Å; I387-V472 HydrophobicContact CD1-CG2 4.44Å; I387-V472 HydrophobicContact CG2-CG2 4.01Å; I387-I485 HydrophobicContact CG2-CG2 4.08Å; I387-F486 CarbonylContact C-O 3.59Å; I387-F486 VanDerWaalsContact CA-O 3.3Å; I387-F486 WeakPolarHBondContact CA-O 3.2Å; I387-V487 HydrophobicContact CG1-CG2 4.45Å
388L91.4Very high86.3Confident6 Ų643.9 Ų43.93%0.03123%0.228CC..EExtended strand (participates in β ladder)trans-112.3129.1167.5-48.7173.4000108.8L386 I434 A435 A436 I485 F486 F561 Y612L386-L388 HydrophobicContact CD1-CD2 3.92Å; L386-L388 HydrophobicContact CD1-CG 4.48Å; L386-L388 HydrophobicContact CD2-CG 4.44Å; L386-L388 HydrophobicContact CG-CD2 4.25Å; L386-L388 HydrophobicContact CG-CG 4.27Å; L388-I434 HydrophobicContact CB-CG2 3.87Å; L388-A435 CarbonylContact C-O 3.5Å; L388-A435 VanDerWaalsContact CA-O 3.28Å; L388-A435 WeakPolarHBondContact CA-O 3.49Å; L388-A436 HydrophobicContact CD2-CB 3.35Å; L388-I485 CarbonylContact O-C 3.53Å; L388-I485 WeakPolarHBondContact O-CA 3.24Å; L388-F486 HydrophobicContact CB-CB 4.07Å; L388-F486 HydrophobicContact CB-CD1 4.34Å; L388-F486 HydrophobicContact CD1-CD1 3.8Å; L388-F486 HydrophobicContact CG-CD1 3.99Å; L388-F486 PolarHBondContact N-O 2.8Å; L388-F486 PolarHBondContact O-N 3.1Å; L388-F561 HydrophobicContact CD1-CE2 4.17Å; L388-F561 HydrophobicContact CD1-CZ 4.04Å; L388-Y612 HydrophobicContact CD1-CD1 4.22Å
389A91.3Very high86.6Confident0 Ų043 Ų430%023%0.225CC..EExtended strand (participates in β ladder)trans-133.8128.2-177.800000111.2V392 W396 A435 V472 M483 T484A389-V392 HydrophobicContact CB-CG1 3.65Å; A389-V392 HydrophobicContact CB-CG2 4.36Å; A389-W396 HydrophobicContact CB-CE3 4.1Å; A389-W396 HydrophobicContact CB-CZ3 3.96Å; A389-A435 PolarHBondContact N-O 2.88Å; A389-A435 PolarHBondContact O-N 3.42Å; A389-V472 HydrophobicContact CB-CG1 4.4Å; A389-M483 HydrophobicContact CB-CE 3.92Å; A389-T484 WeakPolarHBondContact CA-O 3.06Å
390S88.9Confident86.9Confident4 Ų436.4 Ų36.43%0.02819%0.191CC..EExtended strand (participates in β ladder)trans-88.3151.7173.775.70000111.4V392 M483 T484S390-V392 PolarHBondContact O-N 2.88Å; S390-M483 WeakPolarHBondContact O-CG 3.34Å; S390-T484 PolarHBondContact N-O 2.9Å; S390-T484 PolarHBondContact OG-N 2.62Å; S390-T484 PolarHBondContact OG-OG1 2.81Å
391H82.8Confident87.1Confident62 Ų6232.9 Ų32.929%0.28717%0.172SC..SBendtrans58.242.8170.4-58.5108.8000114.3K432 N482H391-K432 PolarHBondContact NE2-NZ 3.25Å; H391-N482 PolarHBondContact ND1-O 3.03Å
392V85.3Confident87.1Confident29 Ų2930.2 Ų30.218%0.17615%0.151CC..  trans-109.4153.6179.6-62.80000112.4A389 S390 W396 A435 M483A389-V392 HydrophobicContact CB-CG1 3.65Å; A389-V392 HydrophobicContact CB-CG2 4.36Å; S390-V392 PolarHBondContact O-N 2.88Å; V392-W396 HydrophobicContact CB-CB 3.54Å; V392-W396 HydrophobicContact CB-CG 4.04Å; V392-W396 HydrophobicContact CG1-CB 4.24Å; V392-W396 HydrophobicContact CG2-CB 3.73Å; V392-W396 HydrophobicContact CG2-CD2 4.05Å; V392-W396 HydrophobicContact CG2-CG 3.64Å; V392-A435 HydrophobicContact CG2-CB 3.27Å; V392-M483 HydrophobicContact CG1-CE 3.2Å
393P83.1Confident86.8Confident53 Ų5325.3 Ų25.334%0.34413%0.13SC..  trans-70.8178.3172.832.1-37.3000112.3W396P393-W396 HydrophobicContact CG-CB 4.32Å; P393-W396 WeakPolarHBondContact O-CB 3.49Å
394E77.8Confident85.8Confident137 Ų13728 Ų2864%0.6415%0.145SC*.SBendtrans-63.5-45.1176-68-178.8174.300111.7W396E394-W396 VanDerWaalsContact C-N 3.33Å; E394-W396 PolarHBondContact O-N 3.44Å
395D81.7Confident84.4Confident111 Ų11133.5 Ų33.559%0.59417%0.171SC*.SBendtrans-90.260.5175.9-62-31.1000111.6H398D395-H398 PolarHBondContact O-CE1 2.95Å
396W89.6Confident82.9Confident6 Ų639.5 Ų39.52%0.02321%0.207CC..  trans-87.8-26.3-173.865.3-82.2000114.2I387 A389 V392 P393 E394 H398 V422 A435 V472 S473I387-W396 HydrophobicContact CB-CH2 4.18Å; I387-W396 HydrophobicContact CB-CZ3 4.36Å; I387-W396 HydrophobicContact CG2-CH2 3.97Å; I387-W396 HydrophobicContact CG2-CZ3 3.72Å; A389-W396 HydrophobicContact CB-CE3 4.1Å; A389-W396 HydrophobicContact CB-CZ3 3.96Å; V392-W396 HydrophobicContact CB-CB 3.54Å; V392-W396 HydrophobicContact CB-CG 4.04Å; V392-W396 HydrophobicContact CG1-CB 4.24Å; V392-W396 HydrophobicContact CG2-CB 3.73Å; V392-W396 HydrophobicContact CG2-CD2 4.05Å; V392-W396 HydrophobicContact CG2-CG 3.64Å; P393-W396 HydrophobicContact CG-CB 4.32Å; P393-W396 WeakPolarHBondContact O-CB 3.49Å; E394-W396 VanDerWaalsContact C-N 3.33Å; E394-W396 PolarHBondContact O-N 3.44Å; W396-H398 PolarHBondContact O-ND1 3.1Å; W396-V422 HydrophobicContact CZ2-CB 4.11Å; W396-V422 HydrophobicContact CZ2-CG1 3.71Å; W396-A435 HydrophobicContact CD2-CB 3.97Å; W396-A435 VanDerWaalsContact CE2-CB 3.45Å; W396-A435 HydrophobicContact CG-CB 4.26Å; W396-A435 HydrophobicContact CH2-CB 4.48Å; W396-A435 HydrophobicContact CZ2-CB 3.75Å; W396-V472 HydrophobicContact CE3-CG1 3.99Å; W396-V472 HydrophobicContact CE3-CG2 4.29Å; W396-V472 HydrophobicContact CZ3-CG1 4.4Å; W396-V472 HydrophobicContact CZ3-CG2 4.03Å; W396-V472 CarbonylContact O-C 3.53Å; W396-S473 WeakPolarHBondContact O-CB 3.4Å; W396-S473 PolarHBondContact O-N 3.44Å
397L91.6Very high81.3Confident2 Ų240.9 Ų40.91%0.0122%0.217CC..EExtended strand (participates in β ladder)trans-111.4130.3-169.6-167.256.1000111.4I387 I417 V422 I439 V472I387-L397 HydrophobicContact CD1-CD1 4.06Å; L397-I417 HydrophobicContact CB-CB 4.46Å; L397-I417 HydrophobicContact CD2-CD1 4.19Å; L397-I417 HydrophobicContact CG-CB 4.46Å; L397-I417 HydrophobicContact CG-CD1 3.82Å; L397-I417 WeakPolarHBondContact O-CB 3.33Å; L397-I417 PolarHBondContact O-N 3.48Å; L397-V422 HydrophobicContact CB-CG1 4.24Å; L397-V422 HydrophobicContact CD2-CG1 3.6Å; L397-I439 HydrophobicContact CD2-CD1 3.41Å; L397-I439 VanDerWaalsContact CD2-CD1 3.41Å; L397-I439 HydrophobicContact CD2-CG1 4.41Å; L397-I439 HydrophobicContact CG-CD1 4.24Å; L397-V472 HydrophobicContact CD1-CG2 4.05Å
398H90.9Very high80.2Confident4 Ų449.1 Ų49.12%0.01926%0.261CS..EExtended strand (participates in β ladder)trans-133.7145.8-176.1-55.777.2000110.7D395 W396 F414 V415 V471D395-H398 PolarHBondContact O-CE1 2.95Å; W396-H398 PolarHBondContact O-ND1 3.1Å; H398-F414 HydrophobicContact CB-CD2 4.28Å; H398-F414 HydrophobicContact CB-CE1 4.06Å; H398-F414 HydrophobicContact CB-CE2 3.58Å; H398-F414 HydrophobicContact CB-CZ 3.46Å; H398-F414 VanDerWaalsContact CB-CZ 3.46Å; H398-F414 AromaticContact CD2-CE1 3.22Å; H398-F414 WeakPolarHBondContact CD2-CE1 3.42Å; H398-F414 AromaticContact CD2-CZ 3.36Å; H398-F414 WeakPolarHBondContact CD2-CZ 3.37Å; H398-F414 AromaticContact CG-CE1 3.69Å; H398-F414 AromaticContact CG-CE2 3.97Å; H398-F414 AromaticContact CG-CZ 3.29Å; H398-F414 AromaticContact ND1-CZ 3.86Å; H398-F414 AromaticContact NE2-CE1 3.78Å; H398-F414 AromaticContact NE2-CZ 3.95Å; H398-V415 CarbonylContact C-O 3.57Å; H398-V415 WeakPolarHBondContact CA-O 3.32Å; H398-V471 HydrophobicContact CB-CB 4.3Å; H398-V471 PolarHBondContact N-O 2.72Å; H398-V471 PolarHBondContact O-N 3.39Å
399L89.9Confident79.4Confident0 Ų055.9 Ų55.90%029%0.29CS..EExtended strand (participates in β ladder)trans-90.8129.5169.4-17770.6000109.8I401 F414 V415 I417 L444 L447 M449 F450 L468 L470L399-I401 HydrophobicContact CD2-CD1 4.01Å; L399-I401 HydrophobicContact CD2-CG1 4.05Å; L399-I401 HydrophobicContact CG-CG1 4.11Å; L399-F414 WeakPolarHBondContact O-CA 3.3Å; L399-V415 PolarHBondContact N-O 3.3Å; L399-V415 PolarHBondContact O-N 2.85Å; L399-I417 HydrophobicContact CB-CD1 4.29Å; L399-I417 HydrophobicContact CB-CG1 4.28Å; L399-L444 HydrophobicContact CD1-CD1 3.83Å; L399-L444 HydrophobicContact CD1-CD2 4.16Å; L399-L444 HydrophobicContact CD2-CD2 4.3Å; L399-L447 HydrophobicContact CD2-CD1 4.38Å; L399-M449 HydrophobicContact CD2-CE 3.75Å; L399-F450 HydrophobicContact CD2-CD2 4.48Å; L399-F450 HydrophobicContact CD2-CE2 3.56Å; L399-F450 HydrophobicContact CD2-CZ 4.23Å; L399-L468 HydrophobicContact CD1-CD2 4.41Å; L399-L470 HydrophobicContact CD1-CD2 4.21Å
400C88.4Confident78.8Confident0 Ų059.3 Ų59.30%031%0.306CS..EExtended strand (participates in β ladder)trans-115.4120.4174.8167.50000109.3C411 Y413 Y469 V471C400-C411 HydrophobicContact CB-CB 4.02Å; C400-C411 WeakPolarHBondContact CB-SG 3.36Å; C400-C411 VanDerWaalsContact SG-CA 3.57Å; C400-C411 WeakPolarHBondContact SG-CB 3.15Å; C400-C411 CovalentContact SG-SG 2.02Å; C400-C411 PolarHBondContact SG-SG 3.12Å; C400-Y413 CarbonylContact C-O 3.58Å; C400-Y413 WeakPolarHBondContact CA-O 3.26Å; C400-Y469 PolarHBondContact N-O 2.79Å; C400-Y469 PolarHBondContact O-N 2.72Å; C400-V471 HydrophobicContact CB-CG2 3.56Å
401I85.2Confident78.4Confident0 Ų060.1 Ų60.10%031%0.311CS..EExtended strand (participates in β ladder)trans-108.8130.3178.9-50-178.2000108.5L399 D412 Y413 M449 F450 L453 L466 L468L399-I401 HydrophobicContact CD2-CD1 4.01Å; L399-I401 HydrophobicContact CD2-CG1 4.05Å; L399-I401 HydrophobicContact CG-CG1 4.11Å; I401-D412 WeakPolarHBondContact O-CB 3.04Å; I401-D412 PolarHBondContact O-N 3.41Å; I401-Y413 HydrophobicContact CB-CD2 4.23Å; I401-Y413 HydrophobicContact CG2-CD2 4.45Å; I401-Y413 PolarHBondContact N-O 2.83Å; I401-Y413 PolarHBondContact O-N 3.49Å; I401-Y413 VanDerWaalsContact O-N 3.08Å; I401-M449 HydrophobicContact CD1-CE 3.48Å; I401-M449 VanDerWaalsContact CD1-CE 3.48Å; I401-M449 HydrophobicContact CD1-SD 3.59Å; I401-M449 VanDerWaalsContact CD1-SD 3.59Å; I401-M449 HydrophobicContact CG1-CE 4.43Å; I401-F450 HydrophobicContact CD1-CZ 4.49Å; I401-L453 HydrophobicContact CD1-CD2 3.91Å; I401-L453 HydrophobicContact CG2-CD2 4.29Å; I401-L466 HydrophobicContact CG2-CD2 3.94Å; I401-L468 HydrophobicContact CD1-CD2 4.25Å; I401-L468 HydrophobicContact CG1-CD2 3.87Å; I401-L468 HydrophobicContact CG2-CD2 4.28Å
402K82.8Confident78.3Confident37 Ų3759.3 Ų59.316%0.16131%0.309CS..EExtended strand (participates in β ladder)trans-116.1124.7171.4-168.3165.4-177.2158.30109.6N404 S407 D412 K467 Y469K402-N404 WeakPolarHBondContact CE-O 3.34Å; K402-S407 PolarHBondContact NZ-O 2.88Å; K402-D412 WeakPolarHBondContact CA-OD2 2.9Å; K402-K467 PolarHBondContact N-O 3.12Å; K402-K467 PolarHBondContact O-N 3.36Å; K402-Y469 HydrophobicContact CB-CE2 4.13Å
403T74.4Confident78Confident29 Ų2961.2 Ų61.218%0.17831%0.314CS..  trans-95.6-3818056.30000111.6D412 Y413 L466T403-D412 PolarHBondContact N-OD2 3.09Å; T403-D412 PolarHBondContact OG1-OD2 2.87Å; T403-Y413 HydrophobicContact CG2-CD2 4.37Å; T403-Y413 HydrophobicContact CG2-CE2 3.79Å; T403-L466 HydrophobicContact CG2-CD2 3.78Å
404N66.6Low78Confident81 Ų8160.9 Ų60.943%0.43331%0.307SS..  trans-126.2133.6-174.7-91.9-49.3000112.6K402 T406 D412K402-N404 WeakPolarHBondContact CE-O 3.34Å; N404-T406 PolarHBondContact O-N 3.42Å; N404-D412 PolarHBondContact N-OD2 3.38Å
405H58.6Low78.3Confident142 Ų14255 Ų5566%0.65728%0.281SS*.THydrogen-bonded Turntrans-63.3-25.4179.4-90.1-82.3000114.1K467H405-K467 PolarHBondContact CE1-NZ 2.82Å; H405-K467 VanDerWaalsContact NE2-CE 3.31Å; H405-K467 WeakPolarHBondContact NE2-CE 3.37Å; H405-K467 PolarHBondContact NE2-NZ 2.91Å
406T57.3Low78.4Confident126 Ų12650.8 Ų50.877%0.77326%0.259SS*.THydrogen-bonded Turntrans-89.3-9.3-168.253.10000115N404 N408N404-T406 PolarHBondContact O-N 3.42Å; T406-N408 PolarHBondContact O-N 3.41Å
407S58.9Low78.2Confident29 Ų2950.9 Ų50.920%0.20326%0.26CS..  trans-73126.8176.670.90000110.5K402 K409 D412K402-S407 PolarHBondContact NZ-O 2.88Å; S407-K409 PolarHBondContact O-N 3.49Å; S407-K409 VanDerWaalsContact O-N 3.15Å; S407-D412 PolarHBondContact OG-OD1 2.8Å
408N67.5Low77.7Confident173 Ų17352.6 Ų52.693%0.92527%0.272SS*.  trans-68.41.7167.9-81.4-1000112.6T406T406-N408 PolarHBondContact O-N 3.41Å
409K74.2Confident77Confident148 Ų14856.4 Ų56.464%0.64330%0.298SS*.SBendtrans-76.6140.2176.4-64.7-176.6179.4179.50109.4S407 C411S407-K409 PolarHBondContact O-N 3.49Å; S407-K409 VanDerWaalsContact O-N 3.15Å; K409-C411 VanDerWaalsContact C-N 3.27Å; K409-C411 PolarHBondContact O-N 3.46Å
410H79.6Confident76.4Confident73 Ų7359.3 Ų59.334%0.33832%0.319SS..SBendtrans-61.9-37.1173.1-72.6-81.8000111.4W350 D352 K373W350-H410 HydrophobicContact CD2-CB 3.99Å; W350-H410 AromaticContact CD2-CG 3.82Å; W350-H410 HydrophobicContact CE3-CB 3.78Å; W350-H410 AromaticContact CE3-CG 3.89Å; W350-H410 AromaticContact CG-CD2 3.79Å; W350-H410 AromaticContact CG-CG 3.99Å; W350-H410 AromaticContact CG-NE2 3.93Å; W350-H410 HydrophobicContact CH2-CB 4.27Å; W350-H410 HydrophobicContact CZ2-CB 4.44Å; W350-H410 HydrophobicContact CZ3-CB 3.94Å; D352-H410 IonicContact OD1-ND1 3.12Å; D352-H410 PolarHBondContact OD1-ND1 2.85Å; D352-H410 IonicContact OD2-CE1 3.66Å; D352-H410 IonicContact OD2-ND1 3.83Å; D352-H410 PolarHBondContact OD2-ND1 3.29Å; K373-H410 PolarHBondContact NZ-O 2.98Å
411C80.6Confident76Confident20 Ų2061.4 Ų61.414%0.13533%0.328CS..  trans-142.6142178-59.60000110.6C400 K409C400-C411 HydrophobicContact CB-CB 4.02Å; C400-C411 WeakPolarHBondContact CB-SG 3.36Å; C400-C411 VanDerWaalsContact SG-CA 3.57Å; C400-C411 WeakPolarHBondContact SG-CB 3.15Å; C400-C411 CovalentContact SG-SG 2.02Å; C400-C411 PolarHBondContact SG-SG 3.12Å; K409-C411 VanDerWaalsContact C-N 3.27Å; K409-C411 PolarHBondContact O-N 3.46Å
412D79.9Confident76.1Confident46 Ų4662.2 Ų62.225%0.24633%0.333CS..SBendtrans-83.6-40.6170.8-61.8-31000109.9I401 K402 T403 N404 S407I401-D412 WeakPolarHBondContact O-CB 3.04Å; I401-D412 PolarHBondContact O-N 3.41Å; K402-D412 WeakPolarHBondContact CA-OD2 2.9Å; T403-D412 PolarHBondContact N-OD2 3.09Å; T403-D412 PolarHBondContact OG1-OD2 2.87Å; N404-D412 PolarHBondContact N-OD2 3.38Å; S407-D412 PolarHBondContact OG-OD1 2.8Å
413Y80.3Confident76.4Confident69 Ų6960.9 Ų60.927%0.27133%0.328SS..EExtended strand (participates in β ladder)trans-124.6137.4170.3-54.1-91.2000110C400 I401 T403 L453C400-Y413 CarbonylContact C-O 3.58Å; C400-Y413 WeakPolarHBondContact CA-O 3.26Å; I401-Y413 HydrophobicContact CB-CD2 4.23Å; I401-Y413 HydrophobicContact CG2-CD2 4.45Å; I401-Y413 PolarHBondContact N-O 2.83Å; I401-Y413 PolarHBondContact O-N 3.49Å; I401-Y413 VanDerWaalsContact O-N 3.08Å; T403-Y413 HydrophobicContact CG2-CD2 4.37Å; T403-Y413 HydrophobicContact CG2-CE2 3.79Å; Y413-L453 HydrophobicContact CD1-CD1 4.13Å; Y413-L453 HydrophobicContact CD2-CD1 3.96Å; Y413-L453 HydrophobicContact CE1-CD1 3.88Å; Y413-L453 HydrophobicContact CE2-CD1 3.71Å; Y413-L453 HydrophobicContact CG-CD1 4.17Å
414F83Confident77.1Confident45 Ų4560.9 Ų60.920%0.19733%0.327CS..EExtended strand (participates in β ladder)trans-129.4115.7179.4-174.1-100.5000108.4I343 W350 L371 H398 L399 V471I343-F414 HydrophobicContact CD1-CE1 4.38Å; W350-F414 HydrophobicContact CH2-CD2 4.14Å; W350-F414 AromaticContact CH2-CE2 3.93Å; W350-F414 HydrophobicContact CH2-CE2 3.93Å; L371-F414 HydrophobicContact CD2-CZ 4.49Å; H398-F414 HydrophobicContact CB-CD2 4.28Å; H398-F414 HydrophobicContact CB-CE1 4.06Å; H398-F414 HydrophobicContact CB-CE2 3.58Å; H398-F414 HydrophobicContact CB-CZ 3.46Å; H398-F414 VanDerWaalsContact CB-CZ 3.46Å; H398-F414 AromaticContact CD2-CE1 3.22Å; H398-F414 WeakPolarHBondContact CD2-CE1 3.42Å; H398-F414 AromaticContact CD2-CZ 3.36Å; H398-F414 WeakPolarHBondContact CD2-CZ 3.37Å; H398-F414 AromaticContact CG-CE1 3.69Å; H398-F414 AromaticContact CG-CE2 3.97Å; H398-F414 AromaticContact CG-CZ 3.29Å; H398-F414 AromaticContact ND1-CZ 3.86Å; H398-F414 AromaticContact NE2-CE1 3.78Å; H398-F414 AromaticContact NE2-CZ 3.95Å; L399-F414 WeakPolarHBondContact O-CA 3.3Å; F414-V471 HydrophobicContact CE2-CB 3.89Å; F414-V471 HydrophobicContact CE2-CG1 3.91Å; F414-V471 HydrophobicContact CE2-CG2 4.16Å; F414-V471 HydrophobicContact CZ-CG1 4.49Å
415V83.9Confident78.2Confident14 Ų1457.2 Ų57.29%0.08531%0.307CS..EExtended strand (participates in β ladder)trans-131.8124-170.1179.60000110F337 H398 L399 M449F337-V415 HydrophobicContact CE1-CG1 4.37Å; H398-V415 CarbonylContact C-O 3.57Å; H398-V415 WeakPolarHBondContact CA-O 3.32Å; L399-V415 PolarHBondContact N-O 3.3Å; L399-V415 PolarHBondContact O-N 2.85Å; V415-M449 HydrophobicContact CB-CE 3.7Å; V415-M449 HydrophobicContact CG1-CE 3.96Å; V415-M449 HydrophobicContact CG2-CE 3.31Å; V415-M449 HydrophobicContact CG2-CG 3.96Å; V415-M449 HydrophobicContact CG2-SD 4.07Å
416P84.2Confident79.6Confident23 Ų2350.5 Ų50.515%0.14928%0.276CS..EExtended strand (participates in β ladder)trans-64.8137.8175.126.8-32.5000110.6F337F337-P416 HydrophobicContact CE1-CG 3.8Å; F337-P416 HydrophobicContact CZ-CG 3.9Å
417I84.3Confident81Confident7 Ų745 Ų454%0.03624%0.242CC..PPolyproline II helixtrans-83.8125.5172.8-72.4166.7000107.4L397 L399 F421 V422 I439 L444 L470L397-I417 HydrophobicContact CB-CB 4.46Å; L397-I417 HydrophobicContact CD2-CD1 4.19Å; L397-I417 HydrophobicContact CG-CB 4.46Å; L397-I417 HydrophobicContact CG-CD1 3.82Å; L397-I417 WeakPolarHBondContact O-CB 3.33Å; L397-I417 PolarHBondContact O-N 3.48Å; L399-I417 HydrophobicContact CB-CD1 4.29Å; L399-I417 HydrophobicContact CB-CG1 4.28Å; I417-F421 HydrophobicContact CG2-CB 3.78Å; I417-F421 HydrophobicContact CG2-CD2 4.03Å; I417-F421 HydrophobicContact CG2-CG 4.4Å; I417-V422 HydrophobicContact CG2-CG1 4.41Å; I417-I439 HydrophobicContact CD1-CD1 3.92Å; I417-L444 HydrophobicContact CD1-CD2 4.23Å; I417-L470 HydrophobicContact CD1-CD2 3.73Å
418P81Confident82Confident39 Ų3944.7 Ų44.725%0.25324%0.239SC..PPolyproline II helixtrans-66.1155.4-175.726.4-35000112.2S420 F421 L447P418-S420 PolarHBondContact O-N 2.78Å; P418-F421 HydrophobicContact CG-CD2 3.4Å; P418-F421 HydrophobicContact CG-CE2 3.48Å; P418-F421 VanDerWaalsContact CG-CE2 3.48Å; P418-F421 PolarHBondContact O-N 2.86Å; P418-L447 HydrophobicContact CG-CD2 3.99Å
419S77Confident82.4Confident83 Ų8340.2 Ų40.258%0.5822%0.215SC*.THydrogen-bonded Turntrans-61.5-10.4-18060.40000114.5R318 F421R318-S419 PolarHBondContact NH1-O 3.26Å; S419-F421 VanDerWaalsContact C-N 3.33Å
420S75.8Confident82.5Confident61 Ų6136.4 Ų36.443%0.42720%0.204SC..THydrogen-bonded Turntrans-71.8-24.3171.853.10000113.5P418P418-S420 PolarHBondContact O-N 2.78Å
421F81.8Confident82.2Confident44 Ų4436.2 Ų36.219%0.19322%0.222CC..SBendtrans-99.6-5-179.4-60.4-54.7000114.2I417 P418 S419 M443 L447I417-F421 HydrophobicContact CG2-CB 3.78Å; I417-F421 HydrophobicContact CG2-CD2 4.03Å; I417-F421 HydrophobicContact CG2-CG 4.4Å; P418-F421 HydrophobicContact CG-CD2 3.4Å; P418-F421 HydrophobicContact CG-CE2 3.48Å; P418-F421 VanDerWaalsContact CG-CE2 3.48Å; P418-F421 PolarHBondContact O-N 2.86Å; S419-F421 VanDerWaalsContact C-N 3.33Å; F421-M443 HydrophobicContact CB-CE 3.82Å; F421-M443 HydrophobicContact CD1-CB 4.31Å; F421-M443 HydrophobicContact CD1-CE 3.27Å; F421-M443 HydrophobicContact CE1-CB 4.07Å; F421-M443 HydrophobicContact CE1-CE 4.04Å; F421-M443 HydrophobicContact CE1-CG 4.39Å; F421-M443 HydrophobicContact CG-CE 3.8Å; F421-L447 HydrophobicContact CD2-CD2 4.45Å; F421-L447 HydrophobicContact CE2-CD2 3.74Å; F421-L447 HydrophobicContact CE2-CG 4.43Å
422V87.2Confident82.3Confident18 Ų1840.7 Ų40.711%0.10924%0.239CC..  trans-123.1154.3178.2-65.20000109.7W396 L397 I417 A436W396-V422 HydrophobicContact CZ2-CB 4.11Å; W396-V422 HydrophobicContact CZ2-CG1 3.71Å; L397-V422 HydrophobicContact CB-CG1 4.24Å; L397-V422 HydrophobicContact CD2-CG1 3.6Å; I417-V422 HydrophobicContact CG2-CG1 4.41Å; V422-A436 WeakPolarHBondContact CA-O 3.45Å
423T88.8Confident82.7Confident9 Ų940.1 Ų40.16%0.05524%0.238CC..EExtended strand (participates in β ladder)trans-134.4167.2175.7-168.50000110.9R318 L320 L425 A436R318-T423 WeakPolarHBondContact O-CB 3.32Å; R318-T423 PolarHBondContact O-OG1 3.32Å; L320-T423 HydrophobicContact CD2-CG2 3.6Å; L320-T423 HydrophobicContact CG-CG2 3.91Å; T423-L425 HydrophobicContact CG2-CD2 4.28Å; T423-L425 HydrophobicContact CG2-CG 4.28Å; T423-A436 HydrophobicContact CG2-CB 4.08Å; T423-A436 PolarHBondContact N-O 2.91Å; T423-A436 PolarHBondContact O-N 2.98Å
424L89.5Confident83.1Confident29 Ų2937.4 Ų37.415%0.15223%0.229CC..EExtended strand (participates in β ladder)trans-109.8131.5171.6-67.1170.2000108.5Y270 W272 I434 A435Y270-L424 HydrophobicContact CE1-CD1 3.77Å; Y270-L424 HydrophobicContact CE2-CD1 4.32Å; Y270-L424 VanDerWaalsContact CZ-CD1 3.46Å; Y270-L424 WeakPolarHBondContact OH-CD1 3.49Å; W272-L424 HydrophobicContact CH2-CB 4.15Å; W272-L424 HydrophobicContact CZ2-CB 4.29Å; W272-L424 VanDerWaalsContact CZ2-O 3.29Å; W272-L424 WeakPolarHBondContact CZ2-O 3.44Å; L424-I434 WeakPolarHBondContact CA-O 3.04Å; L424-A435 HydrophobicContact CD2-CB 3.98Å
425L89.2Confident83.5Confident4 Ų435.3 Ų35.32%0.02122%0.22CC..EExtended strand (participates in β ladder)trans-115.1154.8176.2-64.2179.5000109.9W272 L320 T423 S433 I434 A436 M564 F575 Y612W272-L425 VanDerWaalsContact CH2-C 3.41Å; W272-L425 WeakPolarHBondContact CH2-O 3.28Å; L320-L425 HydrophobicContact CD1-CD1 4.29Å; T423-L425 HydrophobicContact CG2-CD2 4.28Å; T423-L425 HydrophobicContact CG2-CG 4.28Å; L425-S433 CarbonylContact O-C 3.38Å; L425-S433 VanDerWaalsContact O-CA 3.27Å; L425-S433 WeakPolarHBondContact O-CA 3.04Å; L425-I434 PolarHBondContact N-O 2.76Å; L425-I434 PolarHBondContact O-N 3.48Å; L425-A436 HydrophobicContact CD1-CB 3.61Å; L425-A436 HydrophobicContact CG-CB 3.96Å; L425-M564 HydrophobicContact CB-CE 4.26Å; L425-M564 HydrophobicContact CD1-CE 4.43Å; L425-F575 HydrophobicContact CD2-CE2 4.27Å; L425-F575 HydrophobicContact CD2-CZ 4.39Å; L425-Y612 HydrophobicContact CD1-CE1 3.82Å; L425-Y612 HydrophobicContact CD1-CE2 4.22Å
426P88Confident83.9Confident1 Ų134.7 Ų34.71%0.00622%0.216CC..EExtended strand (participates in β ladder)trans-62.8137.617222.6-30.5000111.3W272 P428 M564 F575 Y577W272-P426 HydrophobicContact CB-CB 4.22Å; W272-P426 HydrophobicContact CB-CG 4.44Å; W272-P426 HydrophobicContact CD2-CB 3.76Å; W272-P426 HydrophobicContact CD2-CG 4.07Å; W272-P426 VanDerWaalsContact CE3-CA 3.43Å; W272-P426 HydrophobicContact CE3-CB 3.48Å; W272-P426 VanDerWaalsContact CE3-CB 3.48Å; W272-P426 HydrophobicContact CE3-CG 4.28Å; W272-P426 HydrophobicContact CG-CB 4.12Å; W272-P426 HydrophobicContact CG-CG 4.18Å; W272-P426 VanDerWaalsContact CZ3-CA 3.44Å; W272-P426 HydrophobicContact CZ3-CB 4.06Å; P426-P428 WeakPolarHBondContact O-CD 3.49Å; P426-M564 HydrophobicContact CG-CE 4.02Å; P426-M564 VanDerWaalsContact O-SD 3.4Å; P426-F575 HydrophobicContact CG-CE1 4.4Å; P426-F575 HydrophobicContact CG-CZ 4.36Å; P426-Y577 HydrophobicContact CB-CD1 3.89Å; P426-Y577 HydrophobicContact CB-CD2 4.04Å; P426-Y577 HydrophobicContact CB-CE1 3.5Å; P426-Y577 HydrophobicContact CB-CE2 3.71Å; P426-Y577 HydrophobicContact CB-CG 4.1Å; P426-Y577 HydrophobicContact CG-CD1 3.47Å; P426-Y577 VanDerWaalsContact CG-CD1 3.47Å; P426-Y577 HydrophobicContact CG-CD2 3.6Å; P426-Y577 HydrophobicContact CG-CE1 3.67Å; P426-Y577 HydrophobicContact CG-CE2 3.84Å; P426-Y577 HydrophobicContact CG-CG 3.38Å
427N86Confident84.1Confident9 Ų933.6 Ų33.65%0.04821%0.208CC..  trans-92.3110170.4-165.6-35.7000110L429 T430 G431 K432 I434N427-L429 PolarHBondContact O-N 3.46Å; N427-L429 WeakPolarHBondContact OD1-CB 3.4Å; N427-L429 PolarHBondContact OD1-N 3.35Å; N427-T430 VanDerWaalsContact CB-OG1 3.32Å; N427-T430 WeakPolarHBondContact CB-OG1 3.37Å; N427-T430 PolarHBondContact ND2-OG1 2.97Å; N427-T430 PolarHBondContact OD1-N 2.85Å; N427-G431 WeakPolarHBondContact O-CA 3.21Å; N427-G431 PolarHBondContact O-N 3.36Å; N427-K432 WeakPolarHBondContact CA-O 3.46Å; N427-K432 WeakPolarHBondContact CB-O 3.45Å; N427-K432 PolarHBondContact N-O 3.49Å; N427-I434 HydrophobicContact CB-CD1 3.94Å; N427-I434 HydrophobicContact CB-CG1 3.51Å; N427-I434 WeakPolarHBondContact ND2-CG1 3.02Å
428P79.2Confident84.4Confident24 Ų2433.7 Ų33.716%0.15621%0.209CC..THydrogen-bonded Turntrans-65.6-25.5-179.8-2033.2000114.1P426 M562 M564 P579P426-P428 WeakPolarHBondContact O-CD 3.49Å; P428-M562 HydrophobicContact CB-CB 4.15Å; P428-M562 HydrophobicContact CB-CE 3.22Å; P428-M562 HydrophobicContact CB-CG 4.15Å; P428-M562 HydrophobicContact CB-SD 4.07Å; P428-M562 HydrophobicContact CG-CE 4.5Å; P428-M564 HydrophobicContact CG-CB 3.92Å; P428-M564 HydrophobicContact CG-CG 4.31Å; P428-M564 HydrophobicContact CG-SD 4.03Å; P428-P579 HydrophobicContact CB-CB 3.83Å; P428-P579 HydrophobicContact CG-CB 4.38Å
429L76.9Confident84.7Confident79 Ų7931.9 Ų31.941%0.41420%0.197SC..THydrogen-bonded Turntrans-82.5-45.7-177-71.9169.2000112.7N427 M562N427-L429 PolarHBondContact O-N 3.46Å; N427-L429 WeakPolarHBondContact OD1-CB 3.4Å; N427-L429 PolarHBondContact OD1-N 3.35Å; L429-M562 HydrophobicContact CD1-CB 4.22Å; L429-M562 HydrophobicContact CD2-CB 3.71Å; L429-M562 HydrophobicContact CD2-CG 4.45Å; L429-M562 HydrophobicContact CD2-SD 4.01Å; L429-M562 HydrophobicContact CG-CB 3.62Å
430T76.4Confident85.2Confident67 Ų6728.2 Ų28.241%0.41117%0.171SC..THydrogen-bonded Turntrans-101.8-15-171.962.50000113.3N427 K432N427-T430 VanDerWaalsContact CB-OG1 3.32Å; N427-T430 WeakPolarHBondContact CB-OG1 3.37Å; N427-T430 PolarHBondContact ND2-OG1 2.97Å; N427-T430 PolarHBondContact OD1-N 2.85Å; T430-K432 PolarHBondContact O-N 3Å; T430-K432 PolarHBondContact OG1-N 3.45Å
431G73.8Confident85.6Confident69 Ų6926.6 Ų26.671%0.71116%0.158SC*.SBendtrans69.71.5-169.900000114.2N427N427-G431 WeakPolarHBondContact O-CA 3.21Å; N427-G431 PolarHBondContact O-N 3.36Å
432K82Confident85.6Confident115 Ų11526.9 Ų26.950%0.517%0.165SC..SBendtrans-87-166171.8-61.5-175.8-177.9172.60110.4H391 N427 T430H391-K432 PolarHBondContact NE2-NZ 3.25Å; N427-K432 WeakPolarHBondContact CA-O 3.46Å; N427-K432 WeakPolarHBondContact CB-O 3.45Å; N427-K432 PolarHBondContact N-O 3.49Å; T430-K432 PolarHBondContact O-N 3Å; T430-K432 PolarHBondContact OG1-N 3.45Å
433S87.9Confident85.3Confident33 Ų3326.4 Ų26.423%0.23116%0.162CC..EExtended strand (participates in β ladder)trans-92.1152.6171.353.40000112.7L425L425-S433 CarbonylContact O-C 3.38Å; L425-S433 VanDerWaalsContact O-CA 3.27Å; L425-S433 WeakPolarHBondContact O-CA 3.04Å
434I89.8Confident85Confident13 Ų1326.1 Ų26.17%0.06716%0.16CC..EExtended strand (participates in β ladder)trans-109.6128.9163.1-59.9177.5000105.9L388 L424 L425 N427L388-I434 HydrophobicContact CB-CG2 3.87Å; L424-I434 WeakPolarHBondContact CA-O 3.04Å; L425-I434 PolarHBondContact N-O 2.76Å; L425-I434 PolarHBondContact O-N 3.48Å; N427-I434 HydrophobicContact CB-CD1 3.94Å; N427-I434 HydrophobicContact CB-CG1 3.51Å; N427-I434 WeakPolarHBondContact ND2-CG1 3.02Å
435A90.9Very high84.5Confident1 Ų129.3 Ų29.31%0.00817%0.174CC..EExtended strand (participates in β ladder)trans-80.7135.9169.500000110L388 A389 V392 W396 L424L388-A435 CarbonylContact C-O 3.5Å; L388-A435 VanDerWaalsContact CA-O 3.28Å; L388-A435 WeakPolarHBondContact CA-O 3.49Å; A389-A435 PolarHBondContact N-O 2.88Å; A389-A435 PolarHBondContact O-N 3.42Å; V392-A435 HydrophobicContact CG2-CB 3.27Å; W396-A435 HydrophobicContact CD2-CB 3.97Å; W396-A435 VanDerWaalsContact CE2-CB 3.45Å; W396-A435 HydrophobicContact CG-CB 4.26Å; W396-A435 HydrophobicContact CH2-CB 4.48Å; W396-A435 HydrophobicContact CZ2-CB 3.75Å; L424-A435 HydrophobicContact CD2-CB 3.98Å
436A91.8Very high83.8Confident0 Ų036.4 Ų36.40%021%0.205CC..EExtended strand (participates in β ladder)trans-131.4130.6-175.400000109.2L320 I387 L388 V422 T423 L425L320-A436 HydrophobicContact CD1-CB 4.14Å; L320-A436 HydrophobicContact CD2-CB 3.74Å; L320-A436 HydrophobicContact CG-CB 4.23Å; I387-A436 CarbonylContact O-C 3.51Å; I387-A436 WeakPolarHBondContact O-CA 3.37Å; L388-A436 HydrophobicContact CD2-CB 3.35Å; V422-A436 WeakPolarHBondContact CA-O 3.45Å; T423-A436 HydrophobicContact CG2-CB 4.08Å; T423-A436 PolarHBondContact N-O 2.91Å; T423-A436 PolarHBondContact O-N 2.98Å; L425-A436 HydrophobicContact CD1-CB 3.61Å; L425-A436 HydrophobicContact CG-CB 3.96Å
437G89.6Confident83.2Confident0 Ų037.1 Ų37.10%021%0.209CC..EExtended strand (participates in β ladder)trans-134.8120.317400000109.3L386 I387L386-G437 CarbonylContact C-O 3.43Å; L386-G437 WeakPolarHBondContact CA-O 3.23Å; I387-G437 PolarHBondContact N-O 3.13Å; I387-G437 PolarHBondContact O-N 3.26Å
438L88.8Confident82.4Confident9 Ų941.2 Ų41.25%0.04723%0.227CC..EExtended strand (participates in β ladder)trans-99.6117.8166.3-177.466000106.1L320 L321 H384 I385 L386 F490L320-L438 HydrophobicContact CD2-CB 4.29Å; L321-L438 HydrophobicContact CB-CD2 4.34Å; L321-L438 HydrophobicContact CD1-CB 3.97Å; L321-L438 HydrophobicContact CD1-CD2 4.12Å; L321-L438 HydrophobicContact CD1-CG 3.98Å; L321-L438 WeakPolarHBondContact CD1-O 3.3Å; H384-L438 HydrophobicContact CB-CD1 4.34Å; I385-L438 CarbonylContact O-C 3.48Å; I385-L438 WeakPolarHBondContact O-CA 3.35Å; L386-L438 HydrophobicContact CB-CD1 3.97Å; L386-L438 HydrophobicContact CD1-CB 4.33Å; L386-L438 HydrophobicContact CD1-CD1 4.5Å; L438-F490 HydrophobicContact CD1-CE1 4.13Å; L438-F490 HydrophobicContact CD1-CZ 4.05Å
439I88.6Confident81.8Confident1 Ų141 Ų411%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-120.2135.5-172.9-58.2167.8000109.7F378 I385 L397 I417 L444 L470F378-I439 HydrophobicContact CZ-CB 4.41Å; F378-I439 HydrophobicContact CZ-CG2 3.78Å; I385-I439 PolarHBondContact N-O 2.82Å; I385-I439 PolarHBondContact O-N 2.81Å; L397-I439 HydrophobicContact CD2-CD1 3.41Å; L397-I439 VanDerWaalsContact CD2-CD1 3.41Å; L397-I439 HydrophobicContact CD2-CG1 4.41Å; L397-I439 HydrophobicContact CG-CD1 4.24Å; I417-I439 HydrophobicContact CD1-CD1 3.92Å; I439-L444 HydrophobicContact CG2-CD1 3.95Å; I439-L444 HydrophobicContact CG2-CD2 3.91Å; I439-L444 HydrophobicContact CG2-CG 3.77Å; I439-L470 HydrophobicContact CD1-CD1 3.64Å; I439-L470 HydrophobicContact CD1-CD2 3.71Å; I439-L470 HydrophobicContact CD1-CG 4.32Å
440T86.6Confident81.2Confident6 Ų638 Ų384%0.03721%0.208CC..EExtended strand (participates in β ladder)trans-122.5159.2171.270.60000110.5H384 S442 M443 L444H384-T440 WeakPolarHBondContact CD2-CG2 3.29Å; T440-S442 VanDerWaalsContact C-N 3.25Å; T440-S442 PolarHBondContact O-N 3.32Å; T440-S442 PolarHBondContact OG1-OG 3.25Å; T440-M443 HydrophobicContact CG2-SD 4.27Å; T440-M443 PolarHBondContact N-SD 2.88Å; T440-M443 PolarHBondContact O-N 2.93Å; T440-M443 WeakPolarHBondContact OG1-CG 3.41Å; T440-M443 PolarHBondContact OG1-SD 2.83Å; T440-M443 VanDerWaalsContact OG1-SD 3.41Å; T440-L444 PolarHBondContact O-N 3.48Å
441L85.3Confident80.6Confident28 Ų2840.4 Ų40.415%0.14721%0.214CC..Hα-helixtrans-58.7-39.6176.8-178.161.1000111.9F378 P381 M443 L444 Q445 L468F378-L441 HydrophobicContact CB-CB 4.23Å; F378-L441 HydrophobicContact CB-CD1 4.1Å; F378-L441 HydrophobicContact CB-CD2 4.46Å; F378-L441 HydrophobicContact CB-CG 4.49Å; F378-L441 HydrophobicContact CD1-CB 3.89Å; F378-L441 HydrophobicContact CG-CB 4.13Å; F378-L441 HydrophobicContact CG-CD1 4.28Å; P381-L441 HydrophobicContact CB-CD2 3.95Å; L441-M443 PolarHBondContact O-N 2.97Å; L441-L444 PolarHBondContact O-N 3.42Å; L441-Q445 HydrophobicContact CG-CG 4.48Å; L441-Q445 WeakPolarHBondContact O-CG 3.26Å; L441-Q445 PolarHBondContact O-N 3.42Å; L441-L468 HydrophobicContact CD1-CD1 3.66Å
442S81.3Confident80Confident49 Ų4941.6 Ų41.634%0.34321%0.205SC..Hα-helixtrans-58.7-33.5-179.973.10000113.2T440T440-S442 VanDerWaalsContact C-N 3.25Å; T440-S442 PolarHBondContact O-N 3.32Å; T440-S442 PolarHBondContact OG1-OG 3.25Å
443M80.3Confident79Confident8 Ų836.5 Ų36.54%0.03918%0.182CC..Hα-helixtrans-75.2-42.6177.9-63.8158.966.200111.6L321 F421 T440 L441 Q445 K446L321-M443 HydrophobicContact CD1-CE 3.74Å; L321-M443 HydrophobicContact CD1-SD 3.34Å; L321-M443 WeakPolarHBondContact CD1-SD 3.15Å; L321-M443 HydrophobicContact CD2-CE 3.74Å; L321-M443 HydrophobicContact CD2-SD 3.91Å; L321-M443 HydrophobicContact CG-CE 4.08Å; L321-M443 HydrophobicContact CG-SD 4.19Å; F421-M443 HydrophobicContact CB-CE 3.82Å; F421-M443 HydrophobicContact CD1-CB 4.31Å; F421-M443 HydrophobicContact CD1-CE 3.27Å; F421-M443 HydrophobicContact CE1-CB 4.07Å; F421-M443 HydrophobicContact CE1-CE 4.04Å; F421-M443 HydrophobicContact CE1-CG 4.39Å; F421-M443 HydrophobicContact CG-CE 3.8Å; T440-M443 HydrophobicContact CG2-SD 4.27Å; T440-M443 PolarHBondContact N-SD 2.88Å; T440-M443 PolarHBondContact O-N 2.93Å; T440-M443 WeakPolarHBondContact OG1-CG 3.41Å; T440-M443 PolarHBondContact OG1-SD 2.83Å; T440-M443 VanDerWaalsContact OG1-SD 3.41Å; L441-M443 PolarHBondContact O-N 2.97Å; M443-Q445 PolarHBondContact O-N 2.87Å; M443-K446 WeakPolarHBondContact O-CB 3.09Å; M443-K446 PolarHBondContact O-N 2.89Å
444L82.7Confident77.6Confident3 Ų337.9 Ų37.92%0.01619%0.192CC..Hα-helixtrans-61.2-39177.8-66178.5000110.5F378 L399 I417 I439 T440 L441 K446 L447 F450 L468F378-L444 HydrophobicContact CD2-CD1 4.02Å; F378-L444 HydrophobicContact CE2-CD1 3.35Å; F378-L444 HydrophobicContact CZ-CD1 3.77Å; L399-L444 HydrophobicContact CD1-CD1 3.83Å; L399-L444 HydrophobicContact CD1-CD2 4.16Å; L399-L444 HydrophobicContact CD2-CD2 4.3Å; I417-L444 HydrophobicContact CD1-CD2 4.23Å; I439-L444 HydrophobicContact CG2-CD1 3.95Å; I439-L444 HydrophobicContact CG2-CD2 3.91Å; I439-L444 HydrophobicContact CG2-CG 3.77Å; T440-L444 PolarHBondContact O-N 3.48Å; L441-L444 PolarHBondContact O-N 3.42Å; L444-K446 PolarHBondContact O-N 3.36Å; L444-L447 HydrophobicContact CD2-CD1 4.02Å; L444-L447 VanDerWaalsContact O-CB 3.27Å; L444-L447 WeakPolarHBondContact O-CB 3.18Å; L444-L447 WeakPolarHBondContact O-CG 3.29Å; L444-L447 PolarHBondContact O-N 3.1Å; L444-F450 HydrophobicContact CB-CE2 3.78Å; L444-F450 HydrophobicContact CB-CZ 4.21Å; L444-F450 WeakPolarHBondContact O-CD2 3.41Å; L444-F450 WeakPolarHBondContact O-CE2 3.17Å; L444-L468 HydrophobicContact CD1-CD1 4.46Å
445Q78.7Confident75.7Confident97 Ų9743.3 Ų43.345%0.45322%0.221SC..Hα-helixtrans-60.6-25.6174.8-73.3175-17.800114.1L441 M443 L447L441-Q445 HydrophobicContact CG-CG 4.48Å; L441-Q445 WeakPolarHBondContact O-CG 3.26Å; L441-Q445 PolarHBondContact O-N 3.42Å; M443-Q445 PolarHBondContact O-N 2.87Å; Q445-L447 VanDerWaalsContact C-N 3.26Å; Q445-L447 PolarHBondContact O-N 3.43Å
446K75.3Confident73.8Confident153 Ų15349.2 Ų49.267%0.66525%0.251SS*.THydrogen-bonded Turntrans-74.9-12.3175.3-67.5-177.6177.7-169.90113.5M443 L444 H448M443-K446 WeakPolarHBondContact O-CB 3.09Å; M443-K446 PolarHBondContact O-N 2.89Å; L444-K446 PolarHBondContact O-N 3.36Å; K446-H448 PolarHBondContact O-N 3.27Å
447L75.3Confident71.8Confident16 Ų1650.7 Ų50.78%0.08426%0.259CS..SBendtrans-67.8131176.1-64.8168.9000109.6L399 P418 F421 L444 Q445 M449 F450L399-L447 HydrophobicContact CD2-CD1 4.38Å; P418-L447 HydrophobicContact CG-CD2 3.99Å; F421-L447 HydrophobicContact CD2-CD2 4.45Å; F421-L447 HydrophobicContact CE2-CD2 3.74Å; F421-L447 HydrophobicContact CE2-CG 4.43Å; L444-L447 HydrophobicContact CD2-CD1 4.02Å; L444-L447 VanDerWaalsContact O-CB 3.27Å; L444-L447 WeakPolarHBondContact O-CB 3.18Å; L444-L447 WeakPolarHBondContact O-CG 3.29Å; L444-L447 PolarHBondContact O-N 3.1Å; Q445-L447 VanDerWaalsContact C-N 3.26Å; Q445-L447 PolarHBondContact O-N 3.43Å; L447-M449 PolarHBondContact O-N 3.06Å; L447-F450 HydrophobicContact CB-CD2 4.41Å; L447-F450 WeakPolarHBondContact O-CB 3.44Å; L447-F450 PolarHBondContact O-N 3.34Å
448H69.2Low70Confident94 Ų9455.5 Ų55.544%0.43529%0.289SS..Hα-helixtrans-46-34.8174.4-87.8-77.3000114.3E334 K446 F450 H451 N452E334-H448 IonicContact OE1-CD2 3.76Å; E334-H448 IonicContact OE1-CE1 3.4Å; E334-H448 IonicContact OE1-NE2 3.1Å; E334-H448 PolarHBondContact OE1-NE2 3.34Å; E334-H448 IonicContact OE2-CE1 3.95Å; E334-H448 IonicContact OE2-NE2 2.72Å; E334-H448 PolarHBondContact OE2-NE2 3.16Å; K446-H448 PolarHBondContact O-N 3.27Å; H448-F450 VanDerWaalsContact C-N 3.33Å; H448-F450 PolarHBondContact O-N 3.16Å; H448-H451 WeakPolarHBondContact O-CB 3.38Å; H448-H451 PolarHBondContact O-N 3.19Å; H448-N452 PolarHBondContact O-N 2.71Å
449M67Low68Low21 Ų2161.6 Ų61.610%0.10332%0.321CS..Hα-helixtrans-64.4-33.5178.3-177.2-93.8-56.700112.9L399 I401 V415 L447 H451 N452 L453L399-M449 HydrophobicContact CD2-CE 3.75Å; I401-M449 HydrophobicContact CD1-CE 3.48Å; I401-M449 VanDerWaalsContact CD1-CE 3.48Å; I401-M449 HydrophobicContact CD1-SD 3.59Å; I401-M449 VanDerWaalsContact CD1-SD 3.59Å; I401-M449 HydrophobicContact CG1-CE 4.43Å; V415-M449 HydrophobicContact CB-CE 3.7Å; V415-M449 HydrophobicContact CG1-CE 3.96Å; V415-M449 HydrophobicContact CG2-CE 3.31Å; V415-M449 HydrophobicContact CG2-CG 3.96Å; V415-M449 HydrophobicContact CG2-SD 4.07Å; L447-M449 PolarHBondContact O-N 3.06Å; M449-H451 VanDerWaalsContact C-N 3.34Å; M449-N452 PolarHBondContact O-N 2.87Å; M449-L453 WeakPolarHBondContact O-CB 3.32Å; M449-L453 PolarHBondContact O-N 3.39Å; M449-L453 HydrophobicContact SD-CB 4.38Å; M449-L453 HydrophobicContact SD-CD1 4.45Å
450F64.6Low66.1Low16 Ų1671 Ų717%0.0737%0.365CS..Hα-helixtrans-65.4-37.8173.3-93.8-91.6000111.8L399 I401 L444 L447 H448 L453 S454 L468L399-F450 HydrophobicContact CD2-CD2 4.48Å; L399-F450 HydrophobicContact CD2-CE2 3.56Å; L399-F450 HydrophobicContact CD2-CZ 4.23Å; I401-F450 HydrophobicContact CD1-CZ 4.49Å; L444-F450 HydrophobicContact CB-CE2 3.78Å; L444-F450 HydrophobicContact CB-CZ 4.21Å; L444-F450 WeakPolarHBondContact O-CD2 3.41Å; L444-F450 WeakPolarHBondContact O-CE2 3.17Å; L447-F450 HydrophobicContact CB-CD2 4.41Å; L447-F450 WeakPolarHBondContact O-CB 3.44Å; L447-F450 PolarHBondContact O-N 3.34Å; H448-F450 VanDerWaalsContact C-N 3.33Å; H448-F450 PolarHBondContact O-N 3.16Å; F450-L453 PolarHBondContact O-N 2.89Å; F450-S454 WeakPolarHBondContact O-CB 3.35Å; F450-S454 PolarHBondContact O-N 3.46Å; F450-L468 HydrophobicContact CE1-CD2 4.46Å; F450-L468 HydrophobicContact CZ-CD1 4.04Å; F450-L468 HydrophobicContact CZ-CD2 3.81Å
451H62.8Low64.3Low117 Ų11773.4 Ų73.454%0.54238%0.378SS..Hα-helixtrans-61.7-46.9172.1-79.1-67000111.4H448 M449 S454 L455H448-H451 WeakPolarHBondContact O-CB 3.38Å; H448-H451 PolarHBondContact O-N 3.19Å; M449-H451 VanDerWaalsContact C-N 3.34Å; H451-S454 PolarHBondContact O-N 2.81Å; H451-S454 PolarHBondContact O-OG 3.4Å; H451-L455 PolarHBondContact O-N 3.43Å; H451-L455 VanDerWaalsContact O-N 3.16Å
452N62Low62.8Low94 Ų9474.9 Ų74.950%0.50339%0.39SS..Hα-helixtrans-67.2-37.1177.6-71.8-22.3000113.2H448 M449 L455 L456H448-N452 PolarHBondContact O-N 2.71Å; M449-N452 PolarHBondContact O-N 2.87Å; N452-L455 WeakPolarHBondContact O-CB 3.4Å; N452-L455 PolarHBondContact O-N 3.44Å; N452-L456 PolarHBondContact O-N 3.04Å
453L60Low61.5Low7 Ų777.1 Ų77.14%0.03740%0.397CS..Hα-helixtrans-68.6-39.4176.8-157.684.9000110.5I401 Y413 M449 F450 L455 L456 L457 L466I401-L453 HydrophobicContact CD1-CD2 3.91Å; I401-L453 HydrophobicContact CG2-CD2 4.29Å; Y413-L453 HydrophobicContact CD1-CD1 4.13Å; Y413-L453 HydrophobicContact CD2-CD1 3.96Å; Y413-L453 HydrophobicContact CE1-CD1 3.88Å; Y413-L453 HydrophobicContact CE2-CD1 3.71Å; Y413-L453 HydrophobicContact CG-CD1 4.17Å; M449-L453 WeakPolarHBondContact O-CB 3.32Å; M449-L453 PolarHBondContact O-N 3.39Å; M449-L453 HydrophobicContact SD-CB 4.38Å; M449-L453 HydrophobicContact SD-CD1 4.45Å; F450-L453 PolarHBondContact O-N 2.89Å; L453-L455 PolarHBondContact O-N 2.75Å; L453-L456 PolarHBondContact O-N 3.08Å; L453-L457 HydrophobicContact CD2-CD1 3.83Å; L453-L457 HydrophobicContact CG-CD1 3.78Å; L453-L457 HydrophobicContact CG-CG 4.27Å; L453-L457 WeakPolarHBondContact O-CB 3.41Å; L453-L457 WeakPolarHBondContact O-CD1 3.46Å; L453-L457 WeakPolarHBondContact O-CG 3.45Å; L453-L457 PolarHBondContact O-N 3.02Å; L453-L466 HydrophobicContact CD2-CD1 4.23Å; L453-L466 HydrophobicContact CD2-CD2 4.45Å
454S58.4Low60.5Low62 Ų6283.8 Ų83.843%0.43443%0.433SS..Hα-helixtrans-60.3-34.2172.781.70000112.2F450 H451F450-S454 WeakPolarHBondContact O-CB 3.35Å; F450-S454 PolarHBondContact O-N 3.46Å; H451-S454 PolarHBondContact O-N 2.81Å; H451-S454 PolarHBondContact O-OG 3.4Å
455L51.2Low59.7Low127 Ų12787.9 Ų87.967%0.66545%0.454SS*.Hα-helixtrans-73.9-28.6173.6-105.1145.8000113.1H451 N452 L453 T458H451-L455 PolarHBondContact O-N 3.43Å; H451-L455 VanDerWaalsContact O-N 3.16Å; N452-L455 WeakPolarHBondContact O-CB 3.4Å; N452-L455 PolarHBondContact O-N 3.44Å; L453-L455 PolarHBondContact O-N 2.75Å; L455-T458 WeakPolarHBondContact O-CG2 3.28Å
456L50.3Low59.6Low125 Ų12584.5 Ų84.565%0.65444%0.439SS*.Hα-helixtrans-83.8-29.2178.8-136.593.1000112.8N452 L453 T458N452-L456 PolarHBondContact O-N 3.04Å; L453-L456 PolarHBondContact O-N 3.08Å; L456-T458 PolarHBondContact O-N 2.88Å; L456-T458 VanDerWaalsContact O-N 3.16Å
457L50.8Low59.9Low32 Ų3280.6 Ų80.617%0.16842%0.422CS..  trans-8123.2-175.6-73.3165000113.8L453 N459 D461 M463 L466L453-L457 HydrophobicContact CD2-CD1 3.83Å; L453-L457 HydrophobicContact CG-CD1 3.78Å; L453-L457 HydrophobicContact CG-CG 4.27Å; L453-L457 WeakPolarHBondContact O-CB 3.41Å; L453-L457 WeakPolarHBondContact O-CD1 3.46Å; L453-L457 WeakPolarHBondContact O-CG 3.45Å; L453-L457 PolarHBondContact O-N 3.02Å; L457-N459 PolarHBondContact O-N 2.98Å; L457-D461 HydrophobicContact CD2-CB 4.17Å; L457-M463 HydrophobicContact CD1-SD 4.05Å; L457-L466 HydrophobicContact CD1-CD1 3.79Å; L457-L466 HydrophobicContact CD1-CD2 4.23Å; L457-L466 HydrophobicContact CD1-CG 4.46Å
458T51.3Low60.5Low100 Ų10080.4 Ų80.461%0.61342%0.421SS*.  trans-67.8-9.4-171510000115.6L455 L456L455-T458 WeakPolarHBondContact O-CG2 3.28Å; L456-T458 PolarHBondContact O-N 2.88Å; L456-T458 VanDerWaalsContact O-N 3.16Å
459N47.3Very low61.5Low137 Ų13777 Ų7773%0.73341%0.405SS*.SBendtrans-135109.3-176.3-73.9-34.3000112.3L457 D461L457-N459 PolarHBondContact O-N 2.98Å; N459-D461 PolarHBondContact O-N 3.15Å
460Q48.4Very low62.7Low198 Ų19876 Ų7693%0.92540%0.4SS*.SBendtrans76.1-17.2165.7-74.9178.1-53.900121.4
461D48.2Very low64Low58 Ų5875.2 Ų75.231%0.3140%0.397SS..  trans-97102.3171.6-71.3-31.3000110.3L457 N459L457-D461 HydrophobicContact CD2-CB 4.17Å; N459-D461 PolarHBondContact O-N 3.15Å
462S53.8Low65.3Low58 Ų5869.7 Ų69.741%0.40637%0.371SS..  trans-58.4144.3171.250.10000110.4D464 N465S462-D464 PolarHBondContact O-N 3.06Å; S462-N465 PolarHBondContact O-N 3.24Å
463M53.9Low66.6Low97 Ų9765.7 Ų65.748%0.47835%0.351SS..G310 helixtrans-49.5-26.7172.9-73.8-74-77.800112.5L457 N465 L466L457-M463 HydrophobicContact CD1-SD 4.05Å; M463-N465 PolarHBondContact O-N 3.38Å; M463-L466 HydrophobicContact CE-CD1 4.26Å; M463-L466 WeakPolarHBondContact O-CB 3.47Å; M463-L466 PolarHBondContact O-N 3.04Å; M463-L466 HydrophobicContact SD-CD1 3.53Å; M463-L466 VanDerWaalsContact SD-CD1 3.53Å
464D58.9Low67.8Low148 Ų14865.5 Ų65.579%0.79135%0.35SS*.G310 helixtrans-60.6-22.7175.9-59.2-22.6000114.6S462S462-D464 PolarHBondContact O-N 3.06Å
465N66.5Low68.7Low88 Ų8863.8 Ų63.847%0.47134%0.342SS..G310 helixtrans-87.4-9.7-179.8-71.8-13000113.3S462 M463 K467S462-N465 PolarHBondContact O-N 3.24Å; M463-N465 PolarHBondContact O-N 3.38Å; N465-K467 PolarHBondContact O-N 2.81Å
466L75.5Confident69.8Low27 Ų2763.6 Ų63.614%0.14134%0.34CS..  trans-73.9118.5-177.7-65.5173.2000110.7I401 T403 L453 L457 M463I401-L466 HydrophobicContact CG2-CD2 3.94Å; T403-L466 HydrophobicContact CG2-CD2 3.78Å; L453-L466 HydrophobicContact CD2-CD1 4.23Å; L453-L466 HydrophobicContact CD2-CD2 4.45Å; L457-L466 HydrophobicContact CD1-CD1 3.79Å; L457-L466 HydrophobicContact CD1-CD2 4.23Å; L457-L466 HydrophobicContact CD1-CG 4.46Å; M463-L466 HydrophobicContact CE-CD1 4.26Å; M463-L466 WeakPolarHBondContact O-CB 3.47Å; M463-L466 PolarHBondContact O-N 3.04Å; M463-L466 HydrophobicContact SD-CD1 3.53Å; M463-L466 VanDerWaalsContact SD-CD1 3.53Å
467K82.9Confident70.8Confident70 Ų7058.7 Ų58.730%0.30431%0.314SS..EExtended strand (participates in β ladder)trans-96.3114.6171.5-65.8-167.9-174.9-162.80110P376 K402 H405 N465 Y469P376-K467 HydrophobicContact CB-CB 4.1Å; P376-K467 HydrophobicContact CB-CD 4.29Å; P376-K467 HydrophobicContact CB-CG 4.35Å; P376-K467 HydrophobicContact CG-CD 4.38Å; K402-K467 PolarHBondContact N-O 3.12Å; K402-K467 PolarHBondContact O-N 3.36Å; H405-K467 PolarHBondContact CE1-NZ 2.82Å; H405-K467 VanDerWaalsContact NE2-CE 3.31Å; H405-K467 WeakPolarHBondContact NE2-CE 3.37Å; H405-K467 PolarHBondContact NE2-NZ 2.91Å; N465-K467 PolarHBondContact O-N 2.81Å; K467-Y469 HydrophobicContact CB-CD2 4.31Å; K467-Y469 HydrophobicContact CB-CE2 3.5Å; K467-Y469 VanDerWaalsContact CB-CE2 3.5Å; K467-Y469 WeakPolarHBondContact O-CD2 3.35Å
468L88.4Confident71.5Confident13 Ų1360.7 Ų60.77%0.06833%0.329CS..EExtended strand (participates in β ladder)trans-89.6130.8176.7-59.2178.4000110P376 F377 F378 L399 I401 L441 L444 F450P376-L468 CarbonylContact C-O 3.59Å; P376-L468 VanDerWaalsContact CA-O 3.32Å; P376-L468 WeakPolarHBondContact CA-O 3.42Å; F377-L468 PolarHBondContact N-O 2.02Å; F378-L468 HydrophobicContact CB-CD1 4.45Å; F378-L468 HydrophobicContact CD2-CB 4.02Å; F378-L468 HydrophobicContact CD2-CD1 3.86Å; L399-L468 HydrophobicContact CD1-CD2 4.41Å; I401-L468 HydrophobicContact CD1-CD2 4.25Å; I401-L468 HydrophobicContact CG1-CD2 3.87Å; I401-L468 HydrophobicContact CG2-CD2 4.28Å; L441-L468 HydrophobicContact CD1-CD1 3.66Å; L444-L468 HydrophobicContact CD1-CD1 4.46Å; F450-L468 HydrophobicContact CE1-CD2 4.46Å; F450-L468 HydrophobicContact CZ-CD1 4.04Å; F450-L468 HydrophobicContact CZ-CD2 3.81Å
469Y89.9Confident72.5Confident22 Ų2263.8 Ų63.89%0.08634%0.335CS..EExtended strand (participates in β ladder)trans-128.2148.2176.7-63.4-93.4000109.4T354 K373 F374 G375 P376 C400 K402 K467T354-Y469 HydrophobicContact CG2-CE1 4.13Å; K373-Y469 HydrophobicContact CD-CD1 4.27Å; K373-Y469 HydrophobicContact CD-CG 4.32Å; K373-Y469 VanDerWaalsContact CE-CD2 3.49Å; K373-Y469 HydrophobicContact CG-CD1 4.09Å; K373-Y469 HydrophobicContact CG-CG 4.25Å; F374-Y469 CarbonylContact O-C 3.54Å; F374-Y469 WeakPolarHBondContact O-CA 3.4Å; F374-Y469 VanDerWaalsContact O-CB 3.28Å; F374-Y469 WeakPolarHBondContact O-CB 3.36Å; F374-Y469 WeakPolarHBondContact O-CD1 3.43Å; G375-Y469 VanDerWaalsContact C-CD1 3.5Å; P376-Y469 HydrophobicContact CB-CE1 3.96Å; P376-Y469 HydrophobicContact CB-CE2 4.39Å; P376-Y469 HydrophobicContact CG-CE1 4.39Å; C400-Y469 PolarHBondContact N-O 2.79Å; C400-Y469 PolarHBondContact O-N 2.72Å; K402-Y469 HydrophobicContact CB-CE2 4.13Å; K467-Y469 HydrophobicContact CB-CD2 4.31Å; K467-Y469 HydrophobicContact CB-CE2 3.5Å; K467-Y469 VanDerWaalsContact CB-CE2 3.5Å; K467-Y469 WeakPolarHBondContact O-CD2 3.35Å
470L91.9Very high73.5Confident0 Ų065.7 Ų65.70%033%0.332CS..EExtended strand (participates in β ladder)trans-104.5130.9171.9-65.3172.8000108.7F374 F377 I385 I387 L399 I417 I439F374-L470 PolarHBondContact N-O 3.43Å; F374-L470 PolarHBondContact O-N 3.23Å; F377-L470 HydrophobicContact CD2-CB 4.29Å; F377-L470 HydrophobicContact CD2-CD1 3.98Å; F377-L470 HydrophobicContact CD2-CG 4.02Å; F377-L470 HydrophobicContact CE2-CB 4.22Å; F377-L470 HydrophobicContact CE2-CD1 4.11Å; F377-L470 HydrophobicContact CE2-CG 4.33Å; I385-L470 HydrophobicContact CB-CD1 4.43Å; I385-L470 HydrophobicContact CD1-CD1 4.25Å; I385-L470 HydrophobicContact CG2-CD1 3.99Å; I387-L470 HydrophobicContact CD1-CB 4.02Å; I387-L470 HydrophobicContact CD1-CD1 3.72Å; L399-L470 HydrophobicContact CD1-CD2 4.21Å; I417-L470 HydrophobicContact CD1-CD2 3.73Å; I439-L470 HydrophobicContact CD1-CD1 3.64Å; I439-L470 HydrophobicContact CD1-CD2 3.71Å; I439-L470 HydrophobicContact CD1-CG 4.32Å
471V90.9Very high75Confident0 Ų059 Ų590%030%0.302CS..EExtended strand (participates in β ladder)trans-115.6120.9179.6-177.90000108.7W350 L371 V372 K373 H398 C400 F414W350-V471 HydrophobicContact CH2-CG1 4.29Å; W350-V471 HydrophobicContact CZ3-CG1 3.92Å; W350-V471 HydrophobicContact CZ3-CG2 4.04Å; L371-V471 HydrophobicContact CB-CG1 3.99Å; L371-V471 HydrophobicContact CD2-CG1 4.06Å; V372-V471 WeakPolarHBondContact O-CA 3.37Å; K373-V471 HydrophobicContact CB-CG2 4.08Å; K373-V471 HydrophobicContact CG-CG2 4.04Å; H398-V471 HydrophobicContact CB-CB 4.3Å; H398-V471 PolarHBondContact N-O 2.72Å; H398-V471 PolarHBondContact O-N 3.39Å; C400-V471 HydrophobicContact CB-CG2 3.56Å; F414-V471 HydrophobicContact CE2-CB 3.89Å; F414-V471 HydrophobicContact CE2-CG1 3.91Å; F414-V471 HydrophobicContact CE2-CG2 4.16Å; F414-V471 HydrophobicContact CZ-CG1 4.49Å
472V91.6Very high76.7Confident0 Ų059.9 Ų59.90%031%0.307CS..EExtended strand (participates in β ladder)trans-93.3125.2173.3176.90000108.6L371 V372 F374 I387 A389 W396 L397 M483 I485L371-V472 WeakPolarHBondContact CA-O 3.38Å; V372-V472 PolarHBondContact N-O 2.78Å; V372-V472 PolarHBondContact O-N 2.8Å; F374-V472 HydrophobicContact CD2-CG2 4.19Å; F374-V472 HydrophobicContact CE2-CB 4.32Å; F374-V472 HydrophobicContact CE2-CG2 3.89Å; I387-V472 HydrophobicContact CD1-CG2 4.44Å; I387-V472 HydrophobicContact CG2-CG2 4.01Å; A389-V472 HydrophobicContact CB-CG1 4.4Å; W396-V472 HydrophobicContact CE3-CG1 3.99Å; W396-V472 HydrophobicContact CE3-CG2 4.29Å; W396-V472 HydrophobicContact CZ3-CG1 4.4Å; W396-V472 HydrophobicContact CZ3-CG2 4.03Å; W396-V472 CarbonylContact O-C 3.53Å; L397-V472 HydrophobicContact CD1-CG2 4.05Å; V472-M483 HydrophobicContact CG1-CE 3.23Å; V472-I485 HydrophobicContact CB-CD1 4Å; V472-I485 HydrophobicContact CG1-CD1 3.8Å; V472-I485 HydrophobicContact CG2-CD1 4.45Å
473S89.6Confident78.3Confident11 Ų1157.1 Ų57.18%0.07729%0.288CS..EExtended strand (participates in β ladder)trans-107.7131.5-178.5-177.10000111.4L371 W396L371-S473 VanDerWaalsContact CD2-CB 3.43Å; L371-S473 WeakPolarHBondContact CD2-OG 3.39Å; W396-S473 WeakPolarHBondContact O-CB 3.4Å; W396-S473 PolarHBondContact O-N 3.44Å
474T85Confident79.9Confident3 Ų354.4 Ų54.42%0.01828%0.276CS..  trans-97132.5164.274.60000107.9M348 V365 L370 M483M348-T474 WeakPolarHBondContact CE-O 3.38Å; V365-T474 HydrophobicContact CG1-CG2 4.27Å; V365-T474 VanDerWaalsContact CG1-OG1 3.25Å; V365-T474 WeakPolarHBondContact CG1-OG1 3.37Å; V365-T474 HydrophobicContact CG2-CG2 3.91Å; L370-T474 HydrophobicContact CB-CG2 4.05Å; L370-T474 WeakPolarHBondContact CB-OG1 3.35Å; L370-T474 PolarHBondContact N-OG1 2.79Å; L370-T474 PolarHBondContact O-N 3.25Å; L370-T474 PolarHBondContact O-OG1 3.45Å; T474-M483 HydrophobicContact CG2-CE 3.92Å; T474-M483 HydrophobicContact CG2-CG 4.43Å; T474-M483 HydrophobicContact CG2-SD 3.23Å; T474-M483 WeakPolarHBondContact CG2-SD 3.34Å
475G77.1Confident81.4Confident26 Ų2647.3 Ų47.327%0.26824%0.239SC..  trans-60177.5166.800000111.8N477G475-N477 PolarHBondContact O-N 3.4Å; G475-N477 VanDerWaalsContact O-N 3.16Å
476I74.7Confident82.4Confident123 Ų12343.4 Ų43.463%0.63122%0.218SC*.  trans-60.4118.7170.7-63.2169.5000107.7Y367Y367-I476 WeakPolarHBondContact O-CG2 3.18Å
477N69.6Low83.1Confident21 Ų2142.1 Ų42.111%0.11221%0.211CC..  trans-112.7107.7178.4-167.9-9.7000111V365 G475 F479 D481V365-N477 HydrophobicContact CB-CB 4.31Å; V365-N477 HydrophobicContact CG1-CB 3.71Å; G475-N477 PolarHBondContact O-N 3.4Å; G475-N477 VanDerWaalsContact O-N 3.16Å; N477-F479 VanDerWaalsContact C-N 3.28Å; N477-F479 PolarHBondContact O-N 2.83Å; N477-F479 PolarHBondContact OD1-N 2.9Å; N477-D481 VanDerWaalsContact ND2-CB 3.31Å; N477-D481 WeakPolarHBondContact ND2-CB 3.25Å; N477-D481 PolarHBondContact ND2-N 3.3Å; N477-D481 PolarHBondContact ND2-OD2 3.25Å; N477-D481 VanDerWaalsContact ND2-OD2 3.14Å
478P66.2Low83.4Confident74 Ų7438.9 Ų38.948%0.48120%0.197SC..THydrogen-bonded Turntrans-71.8-19178.327.7-32.1000113.8Y367Y367-P478 HydrophobicContact CE2-CB 4.37Å
479F72.9Confident83.5Confident166 Ų16639 Ų3973%0.72820%0.198SC*.THydrogen-bonded Turntrans-102.61.6-171.1-63.2-69.1000115.1N477 D481N477-F479 VanDerWaalsContact C-N 3.28Å; N477-F479 PolarHBondContact O-N 2.83Å; N477-F479 PolarHBondContact OD1-N 2.9Å; F479-D481 VanDerWaalsContact C-N 3.28Å; F479-D481 PolarHBondContact O-N 2.88Å
480W67.1Low83.4Confident176 Ų17638.4 Ų38.467%0.66720%0.196SC*.  trans55.841.4178.8-62.425.1000112.5
481D80.6Confident83.1Confident57 Ų5741.6 Ų41.631%0.30521%0.213SC..PPolyproline II helixtrans-66.1152.3179.2-59.8-49.6000111.4V365 N477 F479V365-D481 WeakPolarHBondContact CG2-O 3.43Å; V365-D481 PolarHBondContact N-O 3.48Å; N477-D481 VanDerWaalsContact ND2-CB 3.31Å; N477-D481 WeakPolarHBondContact ND2-CB 3.25Å; N477-D481 PolarHBondContact ND2-N 3.3Å; N477-D481 PolarHBondContact ND2-OD2 3.25Å; N477-D481 VanDerWaalsContact ND2-OD2 3.14Å; F479-D481 VanDerWaalsContact C-N 3.28Å; F479-D481 PolarHBondContact O-N 2.88Å
482N84.5Confident82.6Confident77 Ų7747.1 Ų47.141%0.41224%0.237SC..EExtended strand (participates in β ladder)trans-76.8128.8170.7-69.8-10.8000110.1Y364 H391Y364-N482 WeakPolarHBondContact CD1-OD1 3.26Å; Y364-N482 WeakPolarHBondContact CE1-OD1 3.35Å; H391-N482 PolarHBondContact ND1-O 3.03Å
483M86.7Confident82Confident0 Ų048.8 Ų48.80%025%0.251CS..EExtended strand (participates in β ladder)trans-99.9125.3170.7-176.8-165.7-164.500109.2N362 F363 V365 A389 S390 V392 V472 T474 I485N362-M483 CarbonylContact C-O 3.55Å; N362-M483 WeakPolarHBondContact CA-O 3.18Å; F363-M483 PolarHBondContact N-O 2.87Å; F363-M483 PolarHBondContact O-N 3.1Å; V365-M483 HydrophobicContact CG2-CB 3.71Å; A389-M483 HydrophobicContact CB-CE 3.92Å; S390-M483 WeakPolarHBondContact O-CG 3.34Å; V392-M483 HydrophobicContact CG1-CE 3.2Å; V472-M483 HydrophobicContact CG1-CE 3.23Å; T474-M483 HydrophobicContact CG2-CE 3.92Å; T474-M483 HydrophobicContact CG2-CG 4.43Å; T474-M483 HydrophobicContact CG2-SD 3.23Å; T474-M483 WeakPolarHBondContact CG2-SD 3.34Å; M483-I485 HydrophobicContact CE-CD1 3.62Å; M483-I485 HydrophobicContact CE-CG1 3.57Å; M483-I485 HydrophobicContact CG-CG1 4.05Å; M483-I485 HydrophobicContact SD-CD1 3.66Å; M483-I485 HydrophobicContact SD-CG1 3.71Å
484T87.5Confident81.4Confident40 Ų4053.5 Ų53.525%0.24528%0.279CS..EExtended strand (participates in β ladder)trans-99.4127167.266.70000109.1M361 N362 A389 S390M361-T484 WeakPolarHBondContact O-CA 3.42Å; N362-T484 WeakPolarHBondContact OD1-CG2 3.21Å; A389-T484 WeakPolarHBondContact CA-O 3.06Å; S390-T484 PolarHBondContact N-O 2.9Å; S390-T484 PolarHBondContact OG-N 2.62Å; S390-T484 PolarHBondContact OG-OG1 2.81Å
485I89.6Confident81.1Confident0 Ų058.2 Ų58.20%030%0.301CS..EExtended strand (participates in β ladder)trans-116.5129172.4-52.6-178.4000107.6M361 F363 V372 F374 I387 L388 V472 M483 V487M361-I485 PolarHBondContact N-O 2.81Å; M361-I485 PolarHBondContact O-N 2.82Å; F363-I485 HydrophobicContact CD2-CD1 3.87Å; F363-I485 HydrophobicContact CD2-CG1 4.05Å; F363-I485 HydrophobicContact CE2-CB 4.25Å; F363-I485 HydrophobicContact CE2-CD1 3.75Å; F363-I485 HydrophobicContact CE2-CG1 4.07Å; V372-I485 HydrophobicContact CB-CD1 4.13Å; V372-I485 HydrophobicContact CG2-CD1 4.04Å; F374-I485 HydrophobicContact CE2-CD1 4.08Å; F374-I485 HydrophobicContact CE2-CG2 3.94Å; F374-I485 HydrophobicContact CZ-CB 4.45Å; F374-I485 HydrophobicContact CZ-CD1 4.07Å; F374-I485 HydrophobicContact CZ-CG2 3.87Å; I387-I485 HydrophobicContact CG2-CG2 4.08Å; L388-I485 CarbonylContact O-C 3.53Å; L388-I485 WeakPolarHBondContact O-CA 3.24Å; V472-I485 HydrophobicContact CB-CD1 4Å; V472-I485 HydrophobicContact CG1-CD1 3.8Å; V472-I485 HydrophobicContact CG2-CD1 4.45Å; M483-I485 HydrophobicContact CE-CD1 3.62Å; M483-I485 HydrophobicContact CE-CG1 3.57Å; M483-I485 HydrophobicContact CG-CG1 4.05Å; M483-I485 HydrophobicContact SD-CD1 3.66Å; M483-I485 HydrophobicContact SD-CG1 3.71Å; I485-V487 HydrophobicContact CG2-CG2 4.03Å
486F88.7Confident81.4Confident6 Ų657.5 Ų57.53%0.02629%0.29CS..EExtended strand (participates in β ladder)trans-115.8129.7174.6177.9-102.1000108.8I360 I387 L388 D488 I526I360-F486 HydrophobicContact CB-CD2 4.4Å; I360-F486 HydrophobicContact CD1-CD2 3.84Å; I360-F486 HydrophobicContact CD1-CE2 4.22Å; I360-F486 HydrophobicContact CG1-CD2 3.65Å; I360-F486 HydrophobicContact CG1-CE2 3.98Å; I387-F486 CarbonylContact C-O 3.59Å; I387-F486 VanDerWaalsContact CA-O 3.3Å; I387-F486 WeakPolarHBondContact CA-O 3.2Å; L388-F486 HydrophobicContact CB-CB 4.07Å; L388-F486 HydrophobicContact CB-CD1 4.34Å; L388-F486 HydrophobicContact CD1-CD1 3.8Å; L388-F486 HydrophobicContact CG-CD1 3.99Å; L388-F486 PolarHBondContact N-O 2.8Å; L388-F486 PolarHBondContact O-N 3.1Å; F486-D488 HydrophobicContact CE1-CB 3.55Å; F486-D488 HydrophobicContact CZ-CB 3.66Å; F486-I526 HydrophobicContact CD2-CD1 4.26Å; F486-I526 HydrophobicContact CE1-CB 4.03Å; F486-I526 HydrophobicContact CE1-CD1 4.02Å; F486-I526 HydrophobicContact CE1-CG2 3.75Å; F486-I526 HydrophobicContact CE2-CD1 3.14Å; F486-I526 HydrophobicContact CE2-CG1 4.43Å; F486-I526 HydrophobicContact CZ-CB 3.75Å; F486-I526 HydrophobicContact CZ-CD1 3Å; F486-I526 HydrophobicContact CZ-CG1 3.92Å; F486-I526 HydrophobicContact CZ-CG2 3.89Å
487V90.2Very high81.8Confident0 Ų054 Ų540%027%0.272CS..EExtended strand (participates in β ladder)trans-125.9119.1178.3-176.80000108.5N358 S359 M361 F374 F377 I385 L386 I387 I485 T489N358-V487 CarbonylContact C-O 3.55Å; N358-V487 WeakPolarHBondContact CA-O 2.92Å; N358-V487 PolarHBondContact N-O 3.35Å; N358-V487 VanDerWaalsContact N-O 3.1Å; S359-V487 PolarHBondContact N-O 3.18Å; S359-V487 PolarHBondContact O-N 3.05Å; S359-V487 VanDerWaalsContact O-N 3.08Å; M361-V487 HydrophobicContact CE-CG2 4.33Å; F374-V487 HydrophobicContact CD1-CG2 4.21Å; F374-V487 HydrophobicContact CD2-CG2 4.46Å; F374-V487 HydrophobicContact CE1-CG2 4.12Å; F374-V487 HydrophobicContact CE2-CG2 4.35Å; F374-V487 HydrophobicContact CG-CG2 4.38Å; F374-V487 HydrophobicContact CZ-CG2 4.16Å; F377-V487 HydrophobicContact CZ-CG1 4.26Å; I385-V487 HydrophobicContact CG2-CG1 4.39Å; L386-V487 WeakPolarHBondContact O-CA 3.37Å; I387-V487 HydrophobicContact CG1-CG2 4.45Å; I485-V487 HydrophobicContact CG2-CG2 4.03Å; V487-T489 HydrophobicContact CG1-CG2 4.13Å
488D89.2Confident82.5Confident1 Ų155.4 Ų55.41%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-119.9130.2173-167.7-2.2000108.8N358 L386 F486 R496 I526N358-D488 WeakPolarHBondContact OD1-CA 3.49Å; N358-D488 PolarHBondContact OD1-OD1 3.46Å; L386-D488 HydrophobicContact CB-CB 4.26Å; L386-D488 PolarHBondContact N-O 3.02Å; L386-D488 PolarHBondContact O-N 2.76Å; F486-D488 HydrophobicContact CE1-CB 3.55Å; F486-D488 HydrophobicContact CZ-CB 3.66Å; D488-R496 IonicContact OD1-CZ 2.73Å; D488-R496 IonicContact OD1-NH2 3.95Å; D488-R496 PolarHBondContact OD1-NH2 3.33Å; D488-R496 IonicContact OD2-CZ 3.49Å; D488-R496 IonicContact OD2-NH1 3.59Å; D488-R496 IonicContact OD2-NH2 3.88Å; D488-I526 PolarHBondContact OD2-N 3.15Å; D488-I526 VanDerWaalsContact OD2-N 3.07Å
489T89.4Confident82.8Confident16 Ų1656.3 Ų56.310%0.09829%0.286CS..EExtended strand (participates in β ladder)trans-127.3132.4-17659.30000109.5T357 N358 F377 H384 I385 V487T357-T489 WeakPolarHBondContact CB-OG1 3.48Å; T357-T489 WeakPolarHBondContact CG2-OG1 3.45Å; N358-T489 PolarHBondContact OD1-N 3.27Å; N358-T489 PolarHBondContact OD1-O 2.9Å; N358-T489 PolarHBondContact OD1-OG1 2.84Å; F377-T489 HydrophobicContact CE1-CG2 3.91Å; F377-T489 HydrophobicContact CZ-CG2 4.49Å; H384-T489 WeakPolarHBondContact O-CA 3.09Å; I385-T489 HydrophobicContact CG1-CG2 4.13Å; I385-T489 HydrophobicContact CG2-CG2 4.21Å; V487-T489 HydrophobicContact CG1-CG2 4.13Å
490F89.3Confident82.8Confident9 Ų951.4 Ų51.44%0.03927%0.267CS..EExtended strand (participates in β ladder)trans-146.6144.5178.257-86.4000111H384 L438 R496H384-F490 HydrophobicContact CB-CD1 4.2Å; H384-F490 HydrophobicContact CB-CD2 3.77Å; H384-F490 HydrophobicContact CB-CE1 3.81Å; H384-F490 HydrophobicContact CB-CE2 3.34Å; H384-F490 HydrophobicContact CB-CG 4.19Å; H384-F490 HydrophobicContact CB-CZ 3.36Å; H384-F490 AromaticContact CG-CE2 3.53Å; H384-F490 AromaticContact CG-CZ 3.91Å; H384-F490 PolarHBondContact N-O 3.43Å; H384-F490 AromaticContact ND1-CE2 3.99Å; H384-F490 PolarHBondContact O-N 3.2Å; L438-F490 HydrophobicContact CD1-CE1 4.13Å; L438-F490 HydrophobicContact CD1-CZ 4.05Å; F490-R496 HydrophobicContact CB-CG 4.23Å; F490-R496 HydrophobicContact CD1-CG 3.84Å; F490-R496 HydrophobicContact CD2-CB 4.32Å; F490-R496 HydrophobicContact CD2-CG 3.46Å; F490-R496 VanDerWaalsContact CD2-CG 3.46Å; F490-R496 HydrophobicContact CE1-CG 4Å; F490-R496 HydrophobicContact CE2-CB 4.01Å; F490-R496 HydrophobicContact CE2-CG 3.61Å; F490-R496 HydrophobicContact CG-CG 3.57Å; F490-R496 HydrophobicContact CZ-CB 4.18Å; F490-R496 HydrophobicContact CZ-CG 3.88Å
491D84.9Confident83.2Confident67 Ų6743.2 Ų43.236%0.35824%0.237SC..SBendtrans-89.8-35.4-176.4-68.4-46.3000112.7N380 E382N380-D491 VanDerWaalsContact ND2-CG 3.3Å; N380-D491 PolarHBondContact ND2-OD1 3Å; N380-D491 PolarHBondContact ND2-OD2 2.82Å; E382-D491 CarbonylContact C-O 3.47Å; E382-D491 WeakPolarHBondContact CB-O 3.46Å
492K81Confident82.5Confident117 Ų11741.4 Ų41.451%0.50923%0.228SC..  trans-106.6119.2-177.8-67.8178.7-174.1168.70111.4T494 E495K492-T494 PolarHBondContact O-N 2.79Å; K492-E495 HydrophobicContact CB-CG 3.98Å; K492-E495 PolarHBondContact O-N 3.42Å
493A78.8Confident81.4Confident35 Ų3541 Ų4129%0.28922%0.221SC..Hα-helixtrans-55.9-36.217400000112.4E495 R496 I497A493-E495 PolarHBondContact O-N 3.4Å; A493-R496 PolarHBondContact O-N 2.9Å; A493-I497 HydrophobicContact CB-CD1 4.23Å; A493-I497 WeakPolarHBondContact O-CB 2.84Å; A493-I497 PolarHBondContact O-N 3.29Å
494T77.2Confident79.8Confident110 Ų11047.8 Ų47.868%0.67525%0.248SC*.Hα-helixtrans-64.6-18.4-178.5570000114.6K492 R496K492-T494 PolarHBondContact O-N 2.79Å; T494-R496 VanDerWaalsContact C-N 3.31Å
495E78.9Confident78.2Confident102 Ų10247.9 Ų47.948%0.47725%0.25SS..Hα-helixtrans-76.2-25.8175.8-68174.3-176.900111.6K492 A493K492-E495 HydrophobicContact CB-CG 3.98Å; K492-E495 PolarHBondContact O-N 3.42Å; A493-E495 PolarHBondContact O-N 3.4Å
496R83.4Confident76.3Confident10 Ų1048.4 Ų48.44%0.03825%0.254CS..Hα-helixtrans-110.3-32.6-174-52.8-43.7-164.6116.64.4112.6D488 F490 A493 T494 H498 T524 F527 H528 R529D488-R496 IonicContact OD1-CZ 2.73Å; D488-R496 IonicContact OD1-NH2 3.95Å; D488-R496 PolarHBondContact OD1-NH2 3.33Å; D488-R496 IonicContact OD2-CZ 3.49Å; D488-R496 IonicContact OD2-NH1 3.59Å; D488-R496 IonicContact OD2-NH2 3.88Å; F490-R496 HydrophobicContact CB-CG 4.23Å; F490-R496 HydrophobicContact CD1-CG 3.84Å; F490-R496 HydrophobicContact CD2-CB 4.32Å; F490-R496 HydrophobicContact CD2-CG 3.46Å; F490-R496 VanDerWaalsContact CD2-CG 3.46Å; F490-R496 HydrophobicContact CE1-CG 4Å; F490-R496 HydrophobicContact CE2-CB 4.01Å; F490-R496 HydrophobicContact CE2-CG 3.61Å; F490-R496 HydrophobicContact CG-CG 3.57Å; F490-R496 HydrophobicContact CZ-CB 4.18Å; F490-R496 HydrophobicContact CZ-CG 3.88Å; A493-R496 PolarHBondContact O-N 2.9Å; T494-R496 VanDerWaalsContact C-N 3.31Å; R496-H498 PolarHBondContact O-CD2 2.73Å; R496-T524 PolarHBondContact NE-O 2.88Å; R496-T524 PolarHBondContact NH1-O 2.97Å; R496-F527 HydrophobicContact CB-CD1 4.41Å; R496-F527 PolarHBondContact NH1-O 3.09Å; R496-F527 VanDerWaalsContact NH1-O 3.16Å; R496-H528 CarbonylContact O-C 3.58Å; R496-H528 VanDerWaalsContact O-CA 3.24Å; R496-H528 WeakPolarHBondContact O-CA 3.4Å; R496-R529 PolarHBondContact O-N 2.98Å
497I82.5Confident74.4Confident49 Ų4952.3 Ų52.325%0.25127%0.274SS..EExtended strand (participates in β ladder)trans-104.9110-177.1-54.8-178.3000107.7A493 R529 Y531A493-I497 HydrophobicContact CB-CD1 4.23Å; A493-I497 WeakPolarHBondContact O-CB 2.84Å; A493-I497 PolarHBondContact O-N 3.29Å; I497-R529 HydrophobicContact CG1-CB 4.37Å; I497-R529 HydrophobicContact CG2-CB 4.48Å; I497-R529 HydrophobicContact CG2-CG 4.46Å; I497-Y531 HydrophobicContact CG2-CD2 4.15Å; I497-Y531 HydrophobicContact CG2-CE2 3.42Å; I497-Y531 VanDerWaalsContact CG2-CE2 3.42Å
498H83.4Confident72.4Confident52 Ų5253.8 Ų53.824%0.24129%0.285CS..EExtended strand (participates in β ladder)trans-101.4145.1-178.5-56.2-76.5000109.8R496 H528 R529 F530 Y531R496-H498 PolarHBondContact O-CD2 2.73Å; H498-H528 AromaticContact NE2-ND1 3.42Å; H498-H528 PolarHBondContact NE2-ND1 2.75Å; H498-R529 PolarHBondContact N-O 3Å; H498-F530 HydrophobicContact CB-CD1 3.47Å; H498-F530 VanDerWaalsContact CB-CD1 3.47Å; H498-F530 HydrophobicContact CB-CE1 3.32Å; H498-F530 HydrophobicContact CB-CG 4.17Å; H498-F530 HydrophobicContact CB-CZ 3.9Å; H498-F530 AromaticContact CD2-CE1 3.61Å; H498-F530 AromaticContact CD2-CE2 3.55Å; H498-F530 AromaticContact CD2-CZ 3.17Å; H498-F530 WeakPolarHBondContact CD2-CZ 3.28Å; H498-F530 AromaticContact CG-CE1 3.48Å; H498-F530 VanDerWaalsContact CG-CE1 3.48Å; H498-F530 AromaticContact CG-CZ 3.55Å; H498-F530 AromaticContact NE2-CZ 3.83Å; H498-Y531 PolarHBondContact O-N 3.27Å
499S73.8Confident70.7Confident92 Ų9253.9 Ų53.964%0.64329%0.285SS*.SBendtrans-66.1-53.5-179.655.50000111.5Y531S499-Y531 CarbonylContact O-C 3.58Å; S499-Y531 VanDerWaalsContact O-CB 3.28Å; S499-Y531 WeakPolarHBondContact O-CB 3.39Å; S499-Y531 PolarHBondContact O-N 3.49Å; S499-Y531 VanDerWaalsContact O-O 3.11Å
500D71.9Confident68.9Low63 Ų6358.4 Ų58.434%0.33730%0.301SS..SBendtrans-136.6149-173.5-66.7-2.8000110.6F530 P533 N536D500-F530 WeakPolarHBondContact O-CD1 3.39Å; D500-P533 WeakPolarHBondContact OD1-CD 3.34Å; D500-P533 WeakPolarHBondContact OD1-CG 3.43Å; D500-N536 PolarHBondContact OD2-ND2 2.97Å
501L75.3Confident67.2Low4 Ų465 Ų652%0.02134%0.336CS..  trans-63.1149.2163.9-85.4171.7000110.5Y503 F530 L532 Y537 L548 L591 I609 F611 V621 V623L501-Y503 PolarHBondContact O-N 2.83Å; L501-F530 HydrophobicContact CB-CD1 4.5Å; L501-F530 HydrophobicContact CD2-CB 4.09Å; L501-F530 HydrophobicContact CD2-CD1 3.92Å; L501-F530 HydrophobicContact CD2-CD2 4.2Å; L501-F530 HydrophobicContact CD2-CE1 4.47Å; L501-F530 HydrophobicContact CD2-CG 3.78Å; L501-F530 HydrophobicContact CG-CB 3.9Å; L501-F530 HydrophobicContact CG-CD1 4.15Å; L501-F530 HydrophobicContact CG-CG 4.07Å; L501-L532 HydrophobicContact CD1-CD2 3.61Å; L501-L532 HydrophobicContact CG-CD2 4.28Å; L501-Y537 WeakPolarHBondContact CB-OH 3.46Å; L501-Y537 HydrophobicContact CD1-CE1 4.48Å; L501-Y537 PolarHBondContact O-OH 3.24Å; L501-L548 HydrophobicContact CD1-CD1 4.06Å; L501-L548 HydrophobicContact CD2-CD1 4.04Å; L501-L591 HydrophobicContact CD1-CD1 4.09Å; L501-I609 HydrophobicContact CD1-CD1 3.8Å; L501-F611 HydrophobicContact CD2-CE2 4.46Å; L501-V621 HydrophobicContact CD2-CG1 4.33Å; L501-V623 HydrophobicContact CB-CG2 4.13Å; L501-V623 HydrophobicContact CD1-CG2 3.97Å; L501-V623 HydrophobicContact CD2-CG2 4.5Å; L501-V623 HydrophobicContact CG-CG2 4.46Å
502P65.7Low65.7Low20 Ų2064 Ų6413%0.1334%0.342CS..  trans-58.8108.8173.825-35.3000111.2S515 T517P502-S515 WeakPolarHBondContact CB-OG 3.27Å; P502-T517 HydrophobicContact CB-CG2 3.94Å; P502-T517 HydrophobicContact CG-CG2 3.68Å
503Y62.1Low64.3Low67 Ų6765.2 Ų65.226%0.26335%0.349SS..  trans-132.1136.7-176.7-179.6-102.3000112L501 Y537 V623 Y625L501-Y503 PolarHBondContact O-N 2.83Å; Y503-Y537 WeakPolarHBondContact CB-OH 3.28Å; Y503-Y537 HydrophobicContact CD2-CE1 4.42Å; Y503-V623 HydrophobicContact CD2-CG1 4.43Å; Y503-Y625 AromaticContact CE2-CE2 3.52Å; Y503-Y625 HydrophobicContact CE2-CE2 3.52Å; Y503-Y625 AromaticContact CE2-CZ 3.83Å; Y503-Y625 VanDerWaalsContact CE2-OH 3.3Å; Y503-Y625 WeakPolarHBondContact CE2-OH 3Å; Y503-Y625 AromaticContact CZ-CE2 4Å; Y503-Y625 PolarHBondContact OH-OH 3.33Å
504Y53.3Low63.5Low144 Ų14464.9 Ų64.957%0.56535%0.345SS*.  trans-113.2121.6167.4-112.6-83.7000108.8S506 S509Y504-S506 WeakPolarHBondContact CD1-OG 3.41Å; Y504-S506 PolarHBondContact O-N 2.84Å; Y504-S509 WeakPolarHBondContact O-CB 2.97Å; Y504-S509 PolarHBondContact O-OG 3.25Å
505S53.4Low62.9Low41 Ų4161.6 Ų61.629%0.28733%0.326SS..  trans-73.8-0.7175.659.50000113.9N742S505-N742 PolarHBondContact O-ND2 2.87Å
506S50.9Low62.6Low11 Ų1161.5 Ų61.58%0.07733%0.328CS..SBendtrans-78.5154.2-17752.50000112.6Y504 S508 S509Y504-S506 WeakPolarHBondContact CD1-OG 3.41Å; Y504-S506 PolarHBondContact O-N 2.84Å; S506-S508 PolarHBondContact O-N 2.67Å; S506-S508 PolarHBondContact OG-OG 3.41Å; S506-S509 WeakPolarHBondContact O-CB 3.34Å; S506-S509 PolarHBondContact O-N 3.3Å; S506-S509 PolarHBondContact O-OG 3.46Å
507I48.1Very low62.6Low89 Ų8963 Ų6346%0.45634%0.339SS..G310 helixtrans-50.5-28.6168.8-75.5150.4000112.6S509 Y510 L511 N742I507-S509 PolarHBondContact O-N 2.9Å; I507-S509 VanDerWaalsContact O-N 3.17Å; I507-Y510 WeakPolarHBondContact O-CB 3.45Å; I507-Y510 PolarHBondContact O-N 2.75Å; I507-L511 PolarHBondContact O-N 2.8Å; I507-N742 WeakPolarHBondContact CD1-OD1 3.33Å; I507-N742 HydrophobicContact CG1-CB 4.4Å; I507-N742 WeakPolarHBondContact CG1-OD1 3.2Å
508S48.9Very low62.7Low31 Ų3165 Ų6522%0.21735%0.353CS..G310 helixtrans-59-26.9177.762.20000113.2S506 Y510 L511 G512 E513S506-S508 PolarHBondContact O-N 2.67Å; S506-S508 PolarHBondContact OG-OG 3.41Å; S508-Y510 VanDerWaalsContact C-N 3.28Å; S508-Y510 PolarHBondContact O-N 3.2Å; S508-L511 CarbonylContact O-C 3.57Å; S508-L511 WeakPolarHBondContact O-CA 3.31Å; S508-L511 PolarHBondContact O-N 2.96Å; S508-G512 PolarHBondContact O-N 3.45Å; S508-G512 VanDerWaalsContact O-N 3.13Å; S508-E513 PolarHBondContact O-N 3.45Å
509S51.6Low63Low3 Ų363.1 Ų63.12%0.02135%0.345CS..G310 helixtrans-64.1-30.2172.967.40000113.3Y504 S506 I507 L511 G512Y504-S509 WeakPolarHBondContact O-CB 2.97Å; Y504-S509 PolarHBondContact O-OG 3.25Å; S506-S509 WeakPolarHBondContact O-CB 3.34Å; S506-S509 PolarHBondContact O-N 3.3Å; S506-S509 PolarHBondContact O-OG 3.46Å; I507-S509 PolarHBondContact O-N 2.9Å; I507-S509 VanDerWaalsContact O-N 3.17Å; S509-L511 VanDerWaalsContact C-N 3.32Å; S509-G512 PolarHBondContact O-N 3.22Å
510Y52.7Low63.6Low110 Ų11061.1 Ų61.143%0.43133%0.327SS..G310 helixtrans-74.1-25172.3-70.7-90.6000112.3I507 S508 G512 Y625 L627I507-Y510 WeakPolarHBondContact O-CB 3.45Å; I507-Y510 PolarHBondContact O-N 2.75Å; S508-Y510 VanDerWaalsContact C-N 3.28Å; S508-Y510 PolarHBondContact O-N 3.2Å; Y510-G512 VanDerWaalsContact C-N 3.33Å; Y510-Y625 HydrophobicContact CD1-CG 4.41Å; Y510-Y625 HydrophobicContact CE1-CG 4.09Å; Y510-Y625 HydrophobicContact CE2-CD2 4.49Å; Y510-L627 HydrophobicContact CD1-CD2 4.36Å
511L52.8Low64.2Low148 Ų14858.4 Ų58.478%0.77531%0.312SS*.G310 helixtrans-88.2-0.1175.3-65.9170.7000112.8I507 S508 S509I507-L511 PolarHBondContact O-N 2.8Å; S508-L511 CarbonylContact O-C 3.57Å; S508-L511 WeakPolarHBondContact O-CA 3.31Å; S508-L511 PolarHBondContact O-N 2.96Å; S509-L511 VanDerWaalsContact C-N 3.32Å
512G53.6Low64.6Low47 Ų4763.7 Ų63.749%0.48534%0.341SS..THydrogen-bonded Turntrans96.52.2174.300000115.8S508 S509 Y510 S514S508-G512 PolarHBondContact O-N 3.45Å; S508-G512 VanDerWaalsContact O-N 3.13Å; S509-G512 PolarHBondContact O-N 3.22Å; Y510-G512 VanDerWaalsContact C-N 3.33Å; G512-S514 PolarHBondContact O-N 3.24Å
513E51.7Low65.5Low141 Ų14169.4 Ų69.466%0.65937%0.368SS*.  trans-81.6102.5172.9-70.9-178.1172.700109.8S508S508-E513 PolarHBondContact O-N 3.45Å
514S62.7Low66.5Low28 Ų2868.3 Ų68.320%0.19637%0.369CS..  trans-125.5146.9176.850.80000110.2G512 I516 S622 V623G512-S514 PolarHBondContact O-N 3.24Å; S514-I516 PolarHBondContact O-N 2.9Å; S514-S622 VanDerWaalsContact OG-CB 3.31Å; S514-S622 WeakPolarHBondContact OG-CB 3.38Å; S514-S622 PolarHBondContact OG-OG 3.19Å; S514-V623 WeakPolarHBondContact CB-O 3.03Å
515S64.2Low68.1Low41 Ų4161.7 Ų61.729%0.28735%0.345SS..  trans-63.5122.8172.334.20000109.6P502P502-S515 WeakPolarHBondContact CB-OG 3.27Å
516I73.5Confident69.7Low101 Ų10160.2 Ų60.252%0.51833%0.333SS..  trans-95116179.6-58.3170.3000107.9S514 T518 E620S514-I516 PolarHBondContact O-N 2.9Å; I516-T518 HydrophobicContact CG2-CG2 4.5Å; I516-E620 HydrophobicContact CG2-CB 3.7Å; I516-E620 HydrophobicContact CG2-CG 3.62Å
517T82.2Confident71.5Confident41 Ų4159.8 Ų59.825%0.25233%0.33SS..EExtended strand (participates in β ladder)trans-94.4121.7169.549.10000109.4P502 F519 V621P502-T517 HydrophobicContact CB-CG2 3.94Å; P502-T517 HydrophobicContact CG-CG2 3.68Å; T517-F519 WeakPolarHBondContact OG1-CE2 3.39Å; T517-V621 PolarHBondContact N-O 2.95Å; T517-V621 PolarHBondContact O-N 3.45Å; T517-V621 PolarHBondContact OG1-O 2.85Å
518T85.6Confident73.6Confident92 Ų9255.7 Ų55.756%0.56431%0.309SS*.EExtended strand (participates in β ladder)trans-94.3124.2177.453.80000110.7I516 Y619 E620I516-T518 HydrophobicContact CG2-CG2 4.5Å; T518-Y619 CarbonylContact C-O 3.54Å; T518-Y619 VanDerWaalsContact CA-O 3.25Å; T518-Y619 WeakPolarHBondContact CA-O 3.37Å; T518-E620 HydrophobicContact CG2-CG 3.75Å
519F88.1Confident75.5Confident12 Ų1254.3 Ų54.35%0.05330%0.299CS..EExtended strand (participates in β ladder)trans-107124.8171.6-58.1-81.3000109.8T517 H528 F530 L613 V618 Y619 V621T517-F519 WeakPolarHBondContact OG1-CE2 3.39Å; F519-H528 AromaticContact CD1-CD2 3.64Å; F519-H528 AromaticContact CD1-CE1 3.98Å; F519-H528 AromaticContact CD1-NE2 3.55Å; F519-F530 HydrophobicContact CE1-CE2 4.37Å; F519-F530 HydrophobicContact CE1-CZ 4.13Å; F519-F530 AromaticContact CZ-CE2 3.81Å; F519-F530 HydrophobicContact CZ-CE2 3.81Å; F519-F530 AromaticContact CZ-CZ 3.54Å; F519-F530 HydrophobicContact CZ-CZ 3.54Å; F519-L613 HydrophobicContact CB-CD1 3.59Å; F519-L613 HydrophobicContact CD2-CD1 4.48Å; F519-L613 HydrophobicContact CG-CD1 3.99Å; F519-V618 WeakPolarHBondContact O-CA 3.26Å; F519-V618 WeakPolarHBondContact O-CG1 3.39Å; F519-Y619 PolarHBondContact N-O 3.14Å; F519-Y619 PolarHBondContact O-N 2.72Å; F519-V621 HydrophobicContact CD2-CG2 3.8Å; F519-V621 HydrophobicContact CE2-CB 3.96Å; F519-V621 HydrophobicContact CE2-CG2 3.61Å
520N87.2Confident77.3Confident50 Ų5054.5 Ų54.527%0.26730%0.299SS..  trans-110.6101.2164.6179-7.1000106.8N522 I523 T524 V618N520-N522 PolarHBondContact O-N 3Å; N520-N522 PolarHBondContact OD1-N 2.84Å; N520-I523 HydrophobicContact CB-CD1 4.38Å; N520-I523 WeakPolarHBondContact ND2-CD1 3.24Å; N520-I523 CarbonylContact O-C 3.54Å; N520-I523 WeakPolarHBondContact O-CA 3.44Å; N520-I523 PolarHBondContact O-N 2.8Å; N520-T524 PolarHBondContact O-N 2.8Å; N520-T524 PolarHBondContact O-OG1 2.99Å; N520-V618 HydrophobicContact CB-CG2 4.39Å
521P85.4Confident78.8Confident5 Ų551.4 Ų51.43%0.03229%0.287CS..THydrogen-bonded Turntrans-68.1-8.9-171.6-13.528.3000113.9I523 G525 I526 L613 D614 C617 Y619P521-I523 VanDerWaalsContact C-N 3.28Å; P521-G525 VanDerWaalsContact CA-O 3.25Å; P521-G525 WeakPolarHBondContact CA-O 2.86Å; P521-G525 VanDerWaalsContact CB-O 3.29Å; P521-G525 WeakPolarHBondContact CB-O 3.44Å; P521-G525 CarbonylContact O-C 3.49Å; P521-G525 WeakPolarHBondContact O-CA 3.45Å; P521-G525 PolarHBondContact O-N 3.03Å; P521-G525 VanDerWaalsContact O-N 3.14Å; P521-I526 HydrophobicContact CB-CG1 3.76Å; P521-L613 HydrophobicContact CB-CB 4.07Å; P521-L613 HydrophobicContact CG-CB 3.5Å; P521-L613 VanDerWaalsContact CG-CB 3.5Å; P521-L613 HydrophobicContact CG-CD1 3.96Å; P521-L613 HydrophobicContact CG-CG 4.39Å; P521-D614 WeakPolarHBondContact CG-O 3.34Å; P521-C617 WeakPolarHBondContact CD-O 3.28Å; P521-Y619 HydrophobicContact CG-CD2 4Å; P521-Y619 HydrophobicContact CG-CE2 4.02Å
522N83.4Confident80Confident116 Ų11645 Ų4562%0.6225%0.254SS*.THydrogen-bonded Turntrans-72.1-23.1166.2-70.5-38.9000113.1N520 P615N520-N522 PolarHBondContact O-N 3Å; N520-N522 PolarHBondContact OD1-N 2.84Å; N522-P615 VanDerWaalsContact CG-O 3.29Å; N522-P615 PolarHBondContact ND2-O 3.22Å; N522-P615 PolarHBondContact OD1-O 2.98Å
523I83.5Confident80.9Confident139 Ų13944.3 Ų44.371%0.71324%0.241SC*.THydrogen-bonded Turntrans-110.3-51.6-177.1-57174.5000110.2N520 P521 G525N520-I523 HydrophobicContact CB-CD1 4.38Å; N520-I523 WeakPolarHBondContact ND2-CD1 3.24Å; N520-I523 CarbonylContact O-C 3.54Å; N520-I523 WeakPolarHBondContact O-CA 3.44Å; N520-I523 PolarHBondContact O-N 2.8Å; P521-I523 VanDerWaalsContact C-N 3.28Å; I523-G525 VanDerWaalsContact C-N 3.27Å
524T84.4Confident81.5Confident45 Ų4539.8 Ų39.828%0.27622%0.22SC..THydrogen-bonded Turntrans-81.1-12.8-179.665.60000111.9R496 N520 H528R496-T524 PolarHBondContact NE-O 2.88Å; R496-T524 PolarHBondContact NH1-O 2.97Å; N520-T524 PolarHBondContact O-N 2.8Å; N520-T524 PolarHBondContact O-OG1 2.99Å; T524-H528 PolarHBondContact O-CE1 3.46Å; T524-H528 PolarHBondContact O-NE2 3.22Å; T524-H528 PolarHBondContact OG1-NE2 2.71Å
525G85.5Confident81.6Confident5 Ų546.9 Ų46.95%0.05225%0.25CS..  trans70.3-176.2-171.700000114.5P521 I523 H528P521-G525 VanDerWaalsContact CA-O 3.25Å; P521-G525 WeakPolarHBondContact CA-O 2.86Å; P521-G525 VanDerWaalsContact CB-O 3.29Å; P521-G525 WeakPolarHBondContact CB-O 3.44Å; P521-G525 CarbonylContact O-C 3.49Å; P521-G525 WeakPolarHBondContact O-CA 3.45Å; P521-G525 PolarHBondContact O-N 3.03Å; P521-G525 VanDerWaalsContact O-N 3.14Å; I523-G525 VanDerWaalsContact C-N 3.27Å; G525-H528 PolarHBondContact O-NE2 3.35Å; G525-H528 VanDerWaalsContact O-NE2 3.14Å
526I87.2Confident81.5Confident9 Ų947.8 Ų47.85%0.04625%0.252CS..SBendtrans-95.6-32.7-157.8-79.2159.7000113.1F486 D488 P521 L613 P615F486-I526 HydrophobicContact CD2-CD1 4.26Å; F486-I526 HydrophobicContact CE1-CB 4.03Å; F486-I526 HydrophobicContact CE1-CD1 4.02Å; F486-I526 HydrophobicContact CE1-CG2 3.75Å; F486-I526 HydrophobicContact CE2-CD1 3.14Å; F486-I526 HydrophobicContact CE2-CG1 4.43Å; F486-I526 HydrophobicContact CZ-CB 3.75Å; F486-I526 HydrophobicContact CZ-CD1 3Å; F486-I526 HydrophobicContact CZ-CG1 3.92Å; F486-I526 HydrophobicContact CZ-CG2 3.89Å; D488-I526 PolarHBondContact OD2-N 3.15Å; D488-I526 VanDerWaalsContact OD2-N 3.07Å; P521-I526 HydrophobicContact CB-CG1 3.76Å; I526-L613 WeakPolarHBondContact CG1-O 3.45Å; I526-L613 WeakPolarHBondContact CG2-O 3.37Å; I526-L613 PolarHBondContact O-N 3.32Å; I526-P615 HydrophobicContact CD1-CB 3.83Å; I526-P615 HydrophobicContact CD1-CG 3.69Å; I526-P615 HydrophobicContact CG1-CB 4.4Å
527F90.2Very high81Confident2 Ų243.7 Ų43.71%0.00923%0.23CC..EExtended strand (participates in β ladder)trans-97.4130178.4178.9-101.4000111.8L320 L386 R496 R529 D610 F611 Y612L320-F527 HydrophobicContact CD1-CE2 4.39Å; L386-F527 HydrophobicContact CD2-CB 3.6Å; L386-F527 HydrophobicContact CD2-CD2 4.27Å; L386-F527 HydrophobicContact CD2-CG 4.05Å; R496-F527 HydrophobicContact CB-CD1 4.41Å; R496-F527 PolarHBondContact NH1-O 3.09Å; R496-F527 VanDerWaalsContact NH1-O 3.16Å; F527-R529 HydrophobicContact CE1-CB 4.3Å; F527-R529 HydrophobicContact CZ-CB 4.14Å; F527-D610 HydrophobicContact CE2-CB 3.82Å; F527-D610 HydrophobicContact CZ-CB 4.49Å; F527-F611 WeakPolarHBondContact CA-O 3.44Å; F527-Y612 HydrophobicContact CD2-CD1 4.13Å; F527-Y612 AromaticContact CD2-CE1 3.76Å; F527-Y612 HydrophobicContact CD2-CE1 3.76Å; F527-Y612 HydrophobicContact CE2-CE1 4.05Å
528H91.1Very high80Confident3 Ų343.4 Ų43.41%0.01423%0.225CC..EExtended strand (participates in β ladder)trans-139.1135.7169.5-63.9-74.3000110.9R496 H498 F519 T524 G525 F530 D610 F611R496-H528 CarbonylContact O-C 3.58Å; R496-H528 VanDerWaalsContact O-CA 3.24Å; R496-H528 WeakPolarHBondContact O-CA 3.4Å; H498-H528 AromaticContact NE2-ND1 3.42Å; H498-H528 PolarHBondContact NE2-ND1 2.75Å; F519-H528 AromaticContact CD1-CD2 3.64Å; F519-H528 AromaticContact CD1-CE1 3.98Å; F519-H528 AromaticContact CD1-NE2 3.55Å; T524-H528 PolarHBondContact O-CE1 3.46Å; T524-H528 PolarHBondContact O-NE2 3.22Å; T524-H528 PolarHBondContact OG1-NE2 2.71Å; G525-H528 PolarHBondContact O-NE2 3.35Å; G525-H528 VanDerWaalsContact O-NE2 3.14Å; H528-F530 HydrophobicContact CB-CE2 4.12Å; H528-D610 CarbonylContact O-C 3.47Å; H528-D610 WeakPolarHBondContact O-CA 3.43Å; H528-F611 HydrophobicContact CB-CB 4.3Å; H528-F611 PolarHBondContact N-O 3.38Å; H528-F611 VanDerWaalsContact N-O 3.11Å; H528-F611 PolarHBondContact O-N 2.88Å
529R89.9Confident78.3Confident3 Ų341.2 Ų41.21%0.01121%0.21CC..EExtended strand (participates in β ladder)trans-113.5136.1174.1173.8166.4-67.7172.21.3110.4L320 L321 R496 I497 H498 F527 Y531 F608 I609 D610L320-R529 PolarHBondContact O-NH1 3.17Å; L320-R529 PolarHBondContact O-NH2 2.86Å; L321-R529 PolarHBondContact O-NH1 3.39Å; R496-R529 PolarHBondContact O-N 2.98Å; I497-R529 HydrophobicContact CG1-CB 4.37Å; I497-R529 HydrophobicContact CG2-CB 4.48Å; I497-R529 HydrophobicContact CG2-CG 4.46Å; H498-R529 PolarHBondContact N-O 3Å; F527-R529 HydrophobicContact CE1-CB 4.3Å; F527-R529 HydrophobicContact CZ-CB 4.14Å; R529-Y531 HydrophobicContact CG-CE2 4.45Å; R529-F608 HydrophobicContact CG-CB 4.11Å; R529-F608 HydrophobicContact CG-CD2 4.28Å; R529-F608 HydrophobicContact CG-CG 4.43Å; R529-F608 VanDerWaalsContact CZ-CE2 3.43Å; R529-F608 VanDerWaalsContact NE-CD2 3.32Å; R529-F608 VanDerWaalsContact NH2-CE2 3.3Å; R529-I609 CarbonylContact C-O 3.52Å; R529-I609 VanDerWaalsContact CA-O 3.31Å; R529-I609 WeakPolarHBondContact CA-O 3.48Å; R529-D610 WeakPolarHBondContact CB-OD1 3.29Å; R529-D610 WeakPolarHBondContact CG-OD1 3.38Å; R529-D610 IonicContact CZ-OD1 3.19Å; R529-D610 IonicContact CZ-OD2 3.75Å; R529-D610 IonicContact NE-OD1 2.67Å; R529-D610 PolarHBondContact NE-OD1 2.77Å; R529-D610 IonicContact NE-OD2 3.02Å; R529-D610 VanDerWaalsContact NH2-CG 3.33Å; R529-D610 IonicContact NH2-OD1 2.72Å; R529-D610 PolarHBondContact NH2-OD1 3.34Å; R529-D610 VanDerWaalsContact NH2-OD1 3.14Å; R529-D610 IonicContact NH2-OD2 3.7Å; R529-D610 PolarHBondContact NH2-OD2 3.44Å
530F88.1Confident76.5Confident6 Ų641.1 Ų41.13%0.02621%0.21CC..EExtended strand (participates in β ladder)trans-121.6125.1170.7-71.9-91.7000109.6H498 D500 L501 F519 H528 F608 I609 F611H498-F530 HydrophobicContact CB-CD1 3.47Å; H498-F530 VanDerWaalsContact CB-CD1 3.47Å; H498-F530 HydrophobicContact CB-CE1 3.32Å; H498-F530 HydrophobicContact CB-CG 4.17Å; H498-F530 HydrophobicContact CB-CZ 3.9Å; H498-F530 AromaticContact CD2-CE1 3.61Å; H498-F530 AromaticContact CD2-CE2 3.55Å; H498-F530 AromaticContact CD2-CZ 3.17Å; H498-F530 WeakPolarHBondContact CD2-CZ 3.28Å; H498-F530 AromaticContact CG-CE1 3.48Å; H498-F530 VanDerWaalsContact CG-CE1 3.48Å; H498-F530 AromaticContact CG-CZ 3.55Å; H498-F530 AromaticContact NE2-CZ 3.83Å; D500-F530 WeakPolarHBondContact O-CD1 3.39Å; L501-F530 HydrophobicContact CB-CD1 4.5Å; L501-F530 HydrophobicContact CD2-CB 4.09Å; L501-F530 HydrophobicContact CD2-CD1 3.92Å; L501-F530 HydrophobicContact CD2-CD2 4.2Å; L501-F530 HydrophobicContact CD2-CE1 4.47Å; L501-F530 HydrophobicContact CD2-CG 3.78Å; L501-F530 HydrophobicContact CG-CB 3.9Å; L501-F530 HydrophobicContact CG-CD1 4.15Å; L501-F530 HydrophobicContact CG-CG 4.07Å; F519-F530 HydrophobicContact CE1-CE2 4.37Å; F519-F530 HydrophobicContact CE1-CZ 4.13Å; F519-F530 AromaticContact CZ-CE2 3.81Å; F519-F530 HydrophobicContact CZ-CE2 3.81Å; F519-F530 AromaticContact CZ-CZ 3.54Å; F519-F530 HydrophobicContact CZ-CZ 3.54Å; H528-F530 HydrophobicContact CB-CE2 4.12Å; F530-F608 CarbonylContact O-C 3.49Å; F530-F608 WeakPolarHBondContact O-CA 3.15Å; F530-F608 VanDerWaalsContact O-CB 3.28Å; F530-F608 WeakPolarHBondContact O-CB 3.33Å; F530-I609 PolarHBondContact N-O 3.21Å; F530-I609 PolarHBondContact O-N 2.56Å; F530-F611 AromaticContact CD2-CD2 3.7Å; F530-F611 HydrophobicContact CD2-CD2 3.7Å; F530-F611 AromaticContact CD2-CE2 3.42Å; F530-F611 HydrophobicContact CD2-CE2 3.42Å; F530-F611 VanDerWaalsContact CD2-CE2 3.42Å; F530-F611 AromaticContact CE2-CD2 3.96Å; F530-F611 HydrophobicContact CE2-CD2 3.96Å; F530-F611 AromaticContact CE2-CE2 3.84Å; F530-F611 HydrophobicContact CE2-CE2 3.84Å; F530-F611 HydrophobicContact CG-CE2 4.39Å
531Y83.9Confident74.8Confident45 Ų4540.3 Ų40.318%0.17621%0.209CC..EExtended strand (participates in β ladder)trans-78.7150168.4-63.7-81.3000110.7I497 H498 S499 R529 P533 P606 F608I497-Y531 HydrophobicContact CG2-CD2 4.15Å; I497-Y531 HydrophobicContact CG2-CE2 3.42Å; I497-Y531 VanDerWaalsContact CG2-CE2 3.42Å; H498-Y531 PolarHBondContact O-N 3.27Å; S499-Y531 CarbonylContact O-C 3.58Å; S499-Y531 VanDerWaalsContact O-CB 3.28Å; S499-Y531 WeakPolarHBondContact O-CB 3.39Å; S499-Y531 PolarHBondContact O-N 3.49Å; S499-Y531 VanDerWaalsContact O-O 3.11Å; R529-Y531 HydrophobicContact CG-CE2 4.45Å; Y531-P533 WeakPolarHBondContact O-CD 3.16Å; Y531-P606 HydrophobicContact CD1-CB 4.14Å; Y531-P606 HydrophobicContact CD1-CG 3.58Å; Y531-P606 HydrophobicContact CE1-CG 4.05Å; Y531-P606 HydrophobicContact CG-CG 4.31Å; Y531-F608 HydrophobicContact CD1-CB 3.74Å; Y531-F608 HydrophobicContact CD1-CD1 4.35Å; Y531-F608 HydrophobicContact CD1-CG 4.43Å; Y531-F608 HydrophobicContact CE1-CB 4.12Å; Y531-F608 HydrophobicContact CE1-CD1 4.12Å; Y531-F608 HydrophobicContact CE1-CG 4.36Å; Y531-F608 HydrophobicContact CG-CB 4.41Å
532L79.3Confident73Confident15 Ų1540.5 Ų40.58%0.07921%0.21CC..EExtended strand (participates in β ladder)trans-111.290.3176.3-60176.1000107L501 I534 Y537 L567 L591 S607 I609L501-L532 HydrophobicContact CD1-CD2 3.61Å; L501-L532 HydrophobicContact CG-CD2 4.28Å; L532-I534 PolarHBondContact O-N 2.92Å; L532-Y537 HydrophobicContact CB-CD2 4.04Å; L532-Y537 HydrophobicContact CB-CG 4.3Å; L532-Y537 HydrophobicContact CD2-CD1 4.16Å; L532-Y537 HydrophobicContact CD2-CD2 3.94Å; L532-Y537 HydrophobicContact CD2-CE1 4.23Å; L532-Y537 HydrophobicContact CD2-CE2 4.02Å; L532-Y537 HydrophobicContact CD2-CG 4.04Å; L532-L567 HydrophobicContact CD1-CD1 3.73Å; L532-L591 HydrophobicContact CD2-CD1 4.36Å; L532-S607 PolarHBondContact N-O 3.05Å; L532-I609 HydrophobicContact CD1-CD1 4.24Å; L532-I609 HydrophobicContact CD1-CG1 3.99Å; L532-I609 HydrophobicContact CD2-CD1 4.24Å; L532-I609 HydrophobicContact CD2-CG1 4.4Å; L532-I609 HydrophobicContact CG-CG1 4.3Å
533P71.3Confident71.6Confident31 Ų3136.8 Ų36.820%0.20119%0.192CC..  trans-62.2139.317628.6-38.4000110.1D500 Y531 E535 N536 Y537D500-P533 WeakPolarHBondContact OD1-CD 3.34Å; D500-P533 WeakPolarHBondContact OD1-CG 3.43Å; Y531-P533 WeakPolarHBondContact O-CD 3.16Å; P533-E535 PolarHBondContact O-N 2.9Å; P533-E535 VanDerWaalsContact O-N 3.17Å; P533-N536 HydrophobicContact CG-CB 4.12Å; P533-N536 PolarHBondContact O-N 3.31Å; P533-Y537 HydrophobicContact CG-CD2 4.23Å; P533-Y537 HydrophobicContact CG-CE2 4.31Å; P533-Y537 PolarHBondContact O-N 2.82Å
534I65.8Low70.3Confident46 Ų4630.8 Ų30.824%0.23616%0.161CC..Hα-helixtrans-56-35.4179.7-63.3166000110.2L532 N536 Y538 I596 F602L532-I534 PolarHBondContact O-N 2.92Å; I534-N536 VanDerWaalsContact C-N 3.32Å; I534-N536 PolarHBondContact O-N 3.42Å; I534-Y538 HydrophobicContact CG2-CD2 4.29Å; I534-Y538 HydrophobicContact CG2-CG 4.02Å; I534-Y538 WeakPolarHBondContact O-CB 3.32Å; I534-Y538 PolarHBondContact O-N 3.15Å; I534-I596 HydrophobicContact CD1-CD1 3.99Å; I534-I596 HydrophobicContact CG1-CD1 4.17Å; I534-I596 HydrophobicContact CG2-CD1 4.23Å; I534-F602 HydrophobicContact CD1-CB 3.96Å
535E63.3Low69.4Low177 Ų17728.6 Ų28.683%0.82715%0.147SC*.Hα-helixtrans-62.5-33.5-177.5-61.3178.3-172.900114.1P533P533-E535 PolarHBondContact O-N 2.9Å; P533-E535 VanDerWaalsContact O-N 3.17Å
536N63.6Low68.9Low60 Ų6028.4 Ų28.432%0.32115%0.145SC..Hα-helixtrans-100.6-28.7-173.7-64.5-25.4000113.4D500 P533 I534D500-N536 PolarHBondContact OD2-ND2 2.97Å; P533-N536 HydrophobicContact CG-CB 4.12Å; P533-N536 PolarHBondContact O-N 3.31Å; I534-N536 VanDerWaalsContact C-N 3.32Å; I534-N536 PolarHBondContact O-N 3.42Å
537Y62.8Low68.6Low16 Ų1628.6 Ų28.66%0.06315%0.146CC..Hα-helixtrans-114.8-7.1-171.6-63.3-81.2000114L501 Y503 L532 P533 P546 L591 V623L501-Y537 WeakPolarHBondContact CB-OH 3.46Å; L501-Y537 HydrophobicContact CD1-CE1 4.48Å; L501-Y537 PolarHBondContact O-OH 3.24Å; Y503-Y537 WeakPolarHBondContact CB-OH 3.28Å; Y503-Y537 HydrophobicContact CD2-CE1 4.42Å; L532-Y537 HydrophobicContact CB-CD2 4.04Å; L532-Y537 HydrophobicContact CB-CG 4.3Å; L532-Y537 HydrophobicContact CD2-CD1 4.16Å; L532-Y537 HydrophobicContact CD2-CD2 3.94Å; L532-Y537 HydrophobicContact CD2-CE1 4.23Å; L532-Y537 HydrophobicContact CD2-CE2 4.02Å; L532-Y537 HydrophobicContact CD2-CG 4.04Å; P533-Y537 HydrophobicContact CG-CD2 4.23Å; P533-Y537 HydrophobicContact CG-CE2 4.31Å; P533-Y537 PolarHBondContact O-N 2.82Å; Y537-P546 HydrophobicContact CD1-CG 3.67Å; Y537-P546 HydrophobicContact CE1-CG 4.03Å; Y537-L591 HydrophobicContact CD1-CD1 4.31Å; Y537-L591 HydrophobicContact CE1-CD1 4.44Å; Y537-V623 HydrophobicContact CE1-CG1 4.48Å
538Y59.8Low68.4Low35 Ų3528.5 Ų28.514%0.13715%0.146CC..  trans-84.5126.4178.8-170.2-93.3000112.6I534 I593 S594 I596I534-Y538 HydrophobicContact CG2-CD2 4.29Å; I534-Y538 HydrophobicContact CG2-CG 4.02Å; I534-Y538 WeakPolarHBondContact O-CB 3.32Å; I534-Y538 PolarHBondContact O-N 3.15Å; Y538-I593 HydrophobicContact CD2-CG2 4.14Å; Y538-S594 WeakPolarHBondContact CE2-O 3.46Å; Y538-I596 HydrophobicContact CD2-CD1 3.72Å; Y538-I596 HydrophobicContact CD2-CG1 4.27Å; Y538-I596 HydrophobicContact CE2-CB 3.67Å; Y538-I596 HydrophobicContact CE2-CD1 3.56Å; Y538-I596 HydrophobicContact CE2-CG1 3.62Å; Y538-I596 PolarHBondContact OH-N 3.02Å
539L51.1Low68.2Low46 Ų4629.6 Ų29.624%0.24115%0.152CC..  trans-148.6137-172.5-82.3176.5000105T543 I544 I593 Y625L539-T543 VanDerWaalsContact CA-OG1 3.26Å; L539-T543 WeakPolarHBondContact CA-OG1 3.4Å; L539-T543 WeakPolarHBondContact CB-OG1 3.1Å; L539-I544 WeakPolarHBondContact CD1-O 3.17Å; L539-I593 HydrophobicContact CB-CD1 3.34Å; L539-I593 HydrophobicContact CB-CG1 4.21Å; L539-I593 WeakPolarHBondContact O-CG2 3.26Å; L539-Y625 HydrophobicContact CD1-CE1 4.19Å
540S50.1Low68.2Low10 Ų1029.6 Ų29.67%0.0715%0.152CC..  trans-52.3164.1177.250.90000113.2S542 T543 E707S540-S542 WeakPolarHBondContact CB-OG 3.47Å; S540-S542 PolarHBondContact O-N 3.36Å; S540-S542 VanDerWaalsContact O-N 3.08Å; S540-S542 PolarHBondContact OG-OG 2.87Å; S540-T543 PolarHBondContact N-OG1 3.21Å; S540-T543 PolarHBondContact O-N 2.8Å; S540-T543 PolarHBondContact O-OG1 2.83Å; S540-T543 VanDerWaalsContact O-OG1 3.12Å; S540-T543 WeakPolarHBondContact OG-CG2 3.35Å; S540-T543 PolarHBondContact OG-N 3.26Å; S540-T543 PolarHBondContact OG-OG1 2.97Å; S540-E707 WeakPolarHBondContact CB-OE1 3.28Å; S540-E707 PolarHBondContact OG-OE1 3.42Å; S540-E707 PolarHBondContact OG-OE2 3.09Å
541S50.9Low68.2Low33 Ų3332.3 Ų32.323%0.23116%0.164CC..THydrogen-bonded Turntrans-50.3-33.2170.954.50000112.5L637 E710S541-L637 WeakPolarHBondContact O-CD1 3.46Å; S541-E710 PolarHBondContact OG-OE1 2.89Å; S541-E710 PolarHBondContact OG-OE2 2.93Å
542S48.1Very low68.3Low9 Ų932 Ų326%0.06316%0.162CC..THydrogen-bonded Turntrans-79.5-13.9176.453.40000115.1S540 E707S540-S542 WeakPolarHBondContact CB-OG 3.47Å; S540-S542 PolarHBondContact O-N 3.36Å; S540-S542 VanDerWaalsContact O-N 3.08Å; S540-S542 PolarHBondContact OG-OG 2.87Å; S542-E707 PolarHBondContact OG-OE2 3.2Å
543T53.5Low68.6Low38 Ų3835.8 Ų35.823%0.23318%0.178CC..SBendtrans-107.7142.5178.349.50000111.1L539 S540 I593L539-T543 VanDerWaalsContact CA-OG1 3.26Å; L539-T543 WeakPolarHBondContact CA-OG1 3.4Å; L539-T543 WeakPolarHBondContact CB-OG1 3.1Å; S540-T543 PolarHBondContact N-OG1 3.21Å; S540-T543 PolarHBondContact O-N 2.8Å; S540-T543 PolarHBondContact O-OG1 2.83Å; S540-T543 VanDerWaalsContact O-OG1 3.12Å; S540-T543 WeakPolarHBondContact OG-CG2 3.35Å; S540-T543 PolarHBondContact OG-N 3.26Å; S540-T543 PolarHBondContact OG-OG1 2.97Å; T543-I593 WeakPolarHBondContact O-CD1 3.36Å
544I56.5Low69.2Low12 Ų1241.1 Ų41.16%0.06221%0.205CC..PPolyproline II helixtrans-74.8136.1-175.5-66.6149.8000112L539 I593 W630 Q633L539-I544 WeakPolarHBondContact CD1-O 3.17Å; I544-I593 VanDerWaalsContact C-CD1 3.48Å; I544-W630 HydrophobicContact CD1-CB 3Å; I544-W630 VanDerWaalsContact CD1-CD1 3.44Å; I544-W630 HydrophobicContact CD1-CG 3.45Å; I544-W630 VanDerWaalsContact CD1-CG 3.45Å; I544-W630 VanDerWaalsContact CD1-N 3.29Å; I544-W630 VanDerWaalsContact CG1-CA 3.4Å; I544-W630 HydrophobicContact CG1-CB 3.84Å; I544-W630 HydrophobicContact CG1-CG 4.06Å; I544-Q633 VanDerWaalsContact CA-OE1 3.31Å
545G66.4Low70Confident0 Ų041.1 Ų41.10%021%0.209CC..PPolyproline II helixtrans-76.2138.616400000111.2Q590 L591 I593G545-Q590 VanDerWaalsContact O-CG 3.22Å; G545-Q590 WeakPolarHBondContact O-CG 3.29Å; G545-L591 WeakPolarHBondContact CA-O 3.45Å; G545-I593 VanDerWaalsContact CA-CG1 3.46Å
546P75.1Confident70.7Confident1 Ų135.7 Ų35.71%0.00619%0.19CC..PPolyproline II helixtrans-58.1152.5-176.122.3-30.5000112.5Y537 L591 V623 Y625Y537-P546 HydrophobicContact CD1-CG 3.67Å; Y537-P546 HydrophobicContact CE1-CG 4.03Å; P546-L591 HydrophobicContact CG-CD1 4.2Å; P546-L591 VanDerWaalsContact O-CB 3.31Å; P546-L591 WeakPolarHBondContact O-CB 3.38Å; P546-L591 WeakPolarHBondContact O-CG 3.39Å; P546-L591 PolarHBondContact O-N 3.05Å; P546-V623 HydrophobicContact CB-CG1 3.51Å; P546-V623 HydrophobicContact CG-CG1 4.06Å; P546-Y625 HydrophobicContact CB-CD1 4.24Å; P546-Y625 HydrophobicContact CB-CE1 3.78Å; P546-Y625 HydrophobicContact CB-CE2 4.36Å; P546-Y625 HydrophobicContact CG-CE1 4.32Å
547N79.7Confident70.9Confident13 Ų1337.7 Ų37.77%0.0722%0.215CC..EExtended strand (participates in β ladder)trans-87.1131.4174.4-71.2-27.6000110.1F589 Q590 V623 Y624N547-F589 WeakPolarHBondContact CA-O 3.27Å; N547-Q590 VanDerWaalsContact OD1-CA 3.23Å; N547-Q590 WeakPolarHBondContact OD1-CA 3.25Å; N547-Q590 VanDerWaalsContact OD1-CB 3.32Å; N547-Q590 WeakPolarHBondContact OD1-CB 3.16Å; N547-Q590 VanDerWaalsContact OD1-CG 3.28Å; N547-Q590 WeakPolarHBondContact OD1-CG 3.24Å; N547-V623 WeakPolarHBondContact O-CA 3.38Å; N547-Y624 HydrophobicContact CB-CD1 3.92Å; N547-Y624 HydrophobicContact CB-CD2 4.47Å; N547-Y624 HydrophobicContact CB-CE1 3.48Å; N547-Y624 VanDerWaalsContact CB-CE1 3.48Å; N547-Y624 HydrophobicContact CB-CE2 4.13Å; N547-Y624 HydrophobicContact CB-CG 4.4Å; N547-Y624 WeakPolarHBondContact CB-O 3.12Å; N547-Y624 PolarHBondContact N-O 2.65Å; N547-Y624 WeakPolarHBondContact O-CD1 3.34Å; N547-Y624 PolarHBondContact O-N 3.11Å
548L85.9Confident71.1Confident0 Ų040.2 Ų40.20%023%0.229CC..EExtended strand (participates in β ladder)trans-88.2118.7168.2-172.870.8000108.7L501 I550 V565 S588 F589 L591 I609 F611 V621 V623L501-L548 HydrophobicContact CD1-CD1 4.06Å; L501-L548 HydrophobicContact CD2-CD1 4.04Å; L548-I550 HydrophobicContact CD2-CD1 3.99Å; L548-I550 HydrophobicContact CD2-CG1 4.24Å; L548-I550 HydrophobicContact CG-CD1 4.44Å; L548-I550 HydrophobicContact CG-CG1 4.19Å; L548-V565 HydrophobicContact CD2-CG1 4.42Å; L548-S588 VanDerWaalsContact O-CA 3.29Å; L548-S588 WeakPolarHBondContact O-CA 3.27Å; L548-F589 HydrophobicContact CB-CE1 4.32Å; L548-F589 HydrophobicContact CB-CE2 4.5Å; L548-F589 HydrophobicContact CB-CZ 4.25Å; L548-F589 HydrophobicContact CD2-CE1 3.69Å; L548-F589 HydrophobicContact CD2-CE2 4.32Å; L548-F589 HydrophobicContact CD2-CZ 3.47Å; L548-F589 VanDerWaalsContact CD2-CZ 3.47Å; L548-F589 HydrophobicContact CG-CE1 4.42Å; L548-F589 HydrophobicContact CG-CZ 4.44Å; L548-F589 PolarHBondContact N-O 2.74Å; L548-F589 PolarHBondContact O-N 3.44Å; L548-F589 VanDerWaalsContact O-N 3.09Å; L548-L591 HydrophobicContact CB-CD2 4.37Å; L548-L591 HydrophobicContact CB-CG 4.43Å; L548-I609 HydrophobicContact CD2-CD1 4.12Å; L548-F611 HydrophobicContact CD2-CE1 4.22Å; L548-F611 HydrophobicContact CD2-CZ 3.86Å; L548-V621 HydrophobicContact CD1-CG1 3.54Å; L548-V621 HydrophobicContact CG-CG1 4.37Å; L548-V623 HydrophobicContact CD1-CG2 3.85Å
549L86.8Confident71.3Confident26 Ų2647.5 Ų47.514%0.13626%0.257CS..EExtended strand (participates in β ladder)trans-100128.4172-17259.6000109.6K551 V621 S622 Y624L549-K551 VanDerWaalsContact CD2-CE 3.46Å; L549-K551 HydrophobicContact CD2-CG 4.38Å; L549-K551 HydrophobicContact CG-CG 4.16Å; L549-V621 WeakPolarHBondContact O-CA 3.09Å; L549-S622 PolarHBondContact N-O 2.73Å; L549-S622 PolarHBondContact O-N 3.46Å; L549-Y624 HydrophobicContact CB-CD1 3.9Å; L549-Y624 HydrophobicContact CB-CE1 3.71Å; L549-Y624 HydrophobicContact CD1-CE1 4.45Å; L549-Y624 HydrophobicContact CD2-CE1 4.42Å; L549-Y624 HydrophobicContact CG-CE1 4.42Å
550I89.5Confident72Confident3 Ų351 Ų512%0.01527%0.267CS..EExtended strand (participates in β ladder)trans-123.7113.5175.2-56165.2000107.1L548 V565 I580 E586 I587 F589 F611 Y619 E620 V621L548-I550 HydrophobicContact CD2-CD1 3.99Å; L548-I550 HydrophobicContact CD2-CG1 4.24Å; L548-I550 HydrophobicContact CG-CD1 4.44Å; L548-I550 HydrophobicContact CG-CG1 4.19Å; I550-V565 HydrophobicContact CD1-CB 4.29Å; I550-V565 HydrophobicContact CD1-CG2 3.39Å; I550-I580 HydrophobicContact CG2-CD1 4.35Å; I550-E586 WeakPolarHBondContact O-CA 3.5Å; I550-I587 PolarHBondContact N-O 3.3Å; I550-I587 PolarHBondContact O-N 2.89Å; I550-F589 HydrophobicContact CD1-CE1 4.05Å; I550-F611 HydrophobicContact CD1-CD1 4.49Å; I550-F611 HydrophobicContact CD1-CE1 3.79Å; I550-F611 HydrophobicContact CG1-CE1 4.17Å; I550-Y619 HydrophobicContact CG2-CD1 3.98Å; I550-E620 CarbonylContact C-O 3.46Å; I550-E620 WeakPolarHBondContact CA-O 3.24Å; I550-V621 HydrophobicContact CG1-CG2 4.39Å
551K88.1Confident73Confident62 Ų6251.5 Ų51.527%0.2727%0.267SS..EExtended strand (participates in β ladder)trans-102.8135.2172.8-52.8-168.1175.7-148.70109.6L549 T585 E586 Y619 E620L549-K551 VanDerWaalsContact CD2-CE 3.46Å; L549-K551 HydrophobicContact CD2-CG 4.38Å; L549-K551 HydrophobicContact CG-CG 4.16Å; K551-T585 WeakPolarHBondContact CA-O 3.11Å; K551-E586 HydrophobicContact CB-CG 4.4Å; K551-E586 HydrophobicContact CD-CG 4.22Å; K551-E586 WeakPolarHBondContact CD-OE1 3.43Å; K551-E586 WeakPolarHBondContact CE-OE1 3.25Å; K551-E586 HydrophobicContact CG-CG 3.94Å; K551-E586 IonicContact NZ-OE1 2.68Å; K551-E586 PolarHBondContact NZ-OE1 3.03Å; K551-E586 IonicContact NZ-OE2 2.78Å; K551-E586 PolarHBondContact NZ-OE2 3.43Å; K551-Y619 CarbonylContact O-C 3.59Å; K551-Y619 WeakPolarHBondContact O-CA 3Å; K551-E620 HydrophobicContact CB-CB 4.18Å; K551-E620 PolarHBondContact N-O 3.11Å; K551-E620 PolarHBondContact O-N 3.47Å
552R87Confident74.2Confident40 Ų4051 Ų5115%0.15126%0.262CS..EExtended strand (participates in β ladder)trans-107.5125.7179.2-171.5-17764.4127.13.9109.5C555 N582 T585 C617 Y619R552-C555 WeakPolarHBondContact CD-SG 3.03Å; R552-C555 WeakPolarHBondContact CG-SG 3.37Å; R552-C555 PolarHBondContact NH1-SG 2.72Å; R552-N582 PolarHBondContact NH1-OD1 3.44Å; R552-N582 PolarHBondContact NH2-O 2.85Å; R552-T585 PolarHBondContact N-O 2.97Å; R552-C617 HydrophobicContact CG-CB 4.04Å; R552-Y619 HydrophobicContact CB-CD1 4.35Å; R552-Y619 HydrophobicContact CB-CE1 4.26Å; R552-Y619 HydrophobicContact CG-CD1 4.29Å; R552-Y619 HydrophobicContact CG-CE1 3.87Å
553K86Confident76Confident94 Ų9450.7 Ų50.741%0.40926%0.26SS..EExtended strand (participates in β ladder)trans-128.8156.6-177.4-68.4-176.8176175.20110.9C555 V618 E620K553-C555 PolarHBondContact O-N 2.97Å; K553-V618 PolarHBondContact N-O 3.25Å; K553-V618 PolarHBondContact O-N 2.61Å; K553-V618 VanDerWaalsContact O-O 3.12Å; K553-E620 WeakPolarHBondContact CD-OE1 3.44Å; K553-E620 WeakPolarHBondContact CE-OE1 3.18Å; K553-E620 WeakPolarHBondContact CE-OE2 3.12Å; K553-E620 IonicContact NZ-OE1 3.71Å; K553-E620 PolarHBondContact NZ-OE1 3.35Å; K553-E620 IonicContact NZ-OE2 2.89Å; K553-E620 PolarHBondContact NZ-OE2 3.44Å
554N84.1Confident77.7Confident142 Ų14249 Ų4976%0.75925%0.249SC*.SBendtrans49.550.6172.3-63.5-10.9000114.9V618N554-V618 HydrophobicContact CB-CG2 4.37Å
555C81.5Confident79.3Confident47 Ų4748.5 Ų48.532%0.31825%0.247SC..  trans-85.3134.1175.9-67.70000112.4R552 K553 N616 C617R552-C555 WeakPolarHBondContact CD-SG 3.03Å; R552-C555 WeakPolarHBondContact CG-SG 3.37Å; R552-C555 PolarHBondContact NH1-SG 2.72Å; K553-C555 PolarHBondContact O-N 2.97Å; C555-N616 VanDerWaalsContact CA-O 3.29Å; C555-N616 WeakPolarHBondContact CA-O 3.42Å; C555-C617 HydrophobicContact CB-CB 4.27Å; C555-C617 WeakPolarHBondContact CB-SG 3.43Å; C555-C617 WeakPolarHBondContact SG-CB 3.32Å; C555-C617 CovalentContact SG-SG 2.04Å; C555-C617 PolarHBondContact SG-SG 3.18Å
556S78.3Confident80.5Confident62 Ų6248.5 Ų48.543%0.43425%0.247SC..  trans-73.8156.5163.680.80000111.1D558 N616S556-D558 PolarHBondContact O-N 2.84Å; S556-N616 PolarHBondContact N-O 3.1Å; S556-N616 VanDerWaalsContact N-O 3.09Å; S556-N616 WeakPolarHBondContact OG-CB 3.06Å
557A67.2Low81.2Confident102 Ų10248.6 Ų48.684%0.84325%0.247SC*.SBendtrans-76.30.5-173.800000114.9
558D66.8Low81.5Confident69 Ų6948.3 Ų48.337%0.36925%0.245SC..  trans-80122.4-173.4-155.5-11.6000111.7S556 R560S556-D558 PolarHBondContact O-N 2.84Å; D558-R560 PolarHBondContact O-N 3.02Å; D558-R560 WeakPolarHBondContact OD1-CG 3.32Å; D558-R560 IonicContact OD1-NE 3.33Å; D558-R560 PolarHBondContact OD1-NE 3.01Å; D558-R560 IonicContact OD2-CZ 2.95Å; D558-R560 IonicContact OD2-NE 3.72Å; D558-R560 PolarHBondContact OD2-NE 2.89Å; D558-R560 IonicContact OD2-NH2 2.98Å; D558-R560 PolarHBondContact OD2-NH2 2.87Å
559R64.9Low81.3Confident189 Ų18948.7 Ų48.771%0.71325%0.248SC*.  trans-95.848.5-167.7-62.8-175.8176.8-172.6-2.6113.2
560R66.6Low80.9Confident120 Ų12049.5 Ų49.545%0.45325%0.252SS..SBendtrans-88.9-31.4-172.1-59.9-170.4-168.3177.68.8114.6D558D558-R560 PolarHBondContact O-N 3.02Å; D558-R560 WeakPolarHBondContact OD1-CG 3.32Å; D558-R560 IonicContact OD1-NE 3.33Å; D558-R560 PolarHBondContact OD1-NE 3.01Å; D558-R560 IonicContact OD2-CZ 2.95Å; D558-R560 IonicContact OD2-NE 3.72Å; D558-R560 PolarHBondContact OD2-NE 2.89Å; D558-R560 IonicContact OD2-NH2 2.98Å; D558-R560 PolarHBondContact OD2-NH2 2.87Å
561F70.5Confident80Confident19 Ų1951.3 Ų51.38%0.08326%0.259CS..  trans-142.8147.3-177.8-172.2-102.8000108.7I360 L388 D614I360-F561 HydrophobicContact CD1-CB 4.25Å; L388-F561 HydrophobicContact CD1-CE2 4.17Å; L388-F561 HydrophobicContact CD1-CZ 4.04Å; F561-D614 HydrophobicContact CD1-CB 4.39Å
562M76Confident79.3Confident24 Ų2449.5 Ų49.512%0.11825%0.254CS..  trans-121.1126.4176.6-167.9166.9117.200107.9P428 L429 P579 I580P428-M562 HydrophobicContact CB-CB 4.15Å; P428-M562 HydrophobicContact CB-CE 3.22Å; P428-M562 HydrophobicContact CB-CG 4.15Å; P428-M562 HydrophobicContact CB-SD 4.07Å; P428-M562 HydrophobicContact CG-CE 4.5Å; L429-M562 HydrophobicContact CD1-CB 4.22Å; L429-M562 HydrophobicContact CD2-CB 3.71Å; L429-M562 HydrophobicContact CD2-CG 4.45Å; L429-M562 HydrophobicContact CD2-SD 4.01Å; L429-M562 HydrophobicContact CG-CB 3.62Å; M562-P579 HydrophobicContact CE-CB 3.58Å; M562-I580 WeakPolarHBondContact CG-O 3.4Å
563G85.4Confident79.1Confident1 Ų149.9 Ų49.91%0.0126%0.259CS..EExtended strand (participates in β ladder)trans-62.9155.8-179.600000111.6I580 Y612G563-I580 WeakPolarHBondContact O-CA 3.29Å; G563-I580 WeakPolarHBondContact O-CB 3.46Å; G563-I580 PolarHBondContact O-N 2.88Å; G563-Y612 CarbonylContact C-O 3.55Å; G563-Y612 WeakPolarHBondContact CA-O 3.45Å
564M89.7Confident79Confident4 Ų447.4 Ų47.42%0.0225%0.247CC..EExtended strand (participates in β ladder)trans-148.6153.2173.854.9-179.5-91.100110.3L425 P426 P428 T566 V578 Y612L425-M564 HydrophobicContact CB-CE 4.26Å; L425-M564 HydrophobicContact CD1-CE 4.43Å; P426-M564 HydrophobicContact CG-CE 4.02Å; P426-M564 VanDerWaalsContact O-SD 3.4Å; P428-M564 HydrophobicContact CG-CB 3.92Å; P428-M564 HydrophobicContact CG-CG 4.31Å; P428-M564 HydrophobicContact CG-SD 4.03Å; M564-T566 HydrophobicContact CE-CG2 3.22Å; M564-V578 WeakPolarHBondContact CA-O 3.39Å; M564-Y612 HydrophobicContact CE-CD2 3.95Å; M564-Y612 HydrophobicContact CE-CE2 4.08Å; M564-Y612 HydrophobicContact CG-CD2 3.77Å; M564-Y612 HydrophobicContact CG-CG 4.03Å; M564-Y612 PolarHBondContact N-O 2.97Å; M564-Y612 PolarHBondContact O-N 2.61Å; M564-Y612 HydrophobicContact SD-CD2 4.41Å
565V90.9Very high79.3Confident1 Ų140.9 Ų40.91%0.00621%0.212CC..EExtended strand (participates in β ladder)trans-118.8132170.7-177.60000108.4L548 I550 Y577 V578 I580 F589 I609 D610 F611L548-V565 HydrophobicContact CD2-CG1 4.42Å; I550-V565 HydrophobicContact CD1-CB 4.29Å; I550-V565 HydrophobicContact CD1-CG2 3.39Å; V565-Y577 CarbonylContact O-C 3.5Å; V565-Y577 VanDerWaalsContact O-CA 3.32Å; V565-Y577 WeakPolarHBondContact O-CA 3.44Å; V565-V578 PolarHBondContact N-O 2.97Å; V565-V578 PolarHBondContact O-N 3.43Å; V565-I580 HydrophobicContact CG2-CD1 3.95Å; V565-I580 HydrophobicContact CG2-CG1 4.39Å; V565-F589 HydrophobicContact CB-CE1 4.32Å; V565-F589 HydrophobicContact CB-CZ 4.38Å; V565-F589 HydrophobicContact CG1-CE1 4.15Å; V565-F589 HydrophobicContact CG1-CZ 3.79Å; V565-I609 HydrophobicContact CG1-CG2 3.29Å; V565-D610 CarbonylContact C-O 3.56Å; V565-D610 WeakPolarHBondContact CA-O 3.41Å; V565-F611 HydrophobicContact CG1-CD1 4.29Å; V565-F611 HydrophobicContact CG1-CE1 4.18Å; V565-F611 HydrophobicContact CG1-CZ 4.48Å; V565-F611 HydrophobicContact CG2-CD1 3.47Å; V565-F611 VanDerWaalsContact CG2-CD1 3.47Å; V565-F611 HydrophobicContact CG2-CE1 3.74Å; V565-F611 HydrophobicContact CG2-CG 4.35Å
566T90.9Very high79.5Confident0 Ų039.6 Ų39.60%020%0.201CC..EExtended strand (participates in β ladder)trans-116.3133.3174.264.40000109.6M564 N568 F575 H576 I609 D610 Y612M564-T566 HydrophobicContact CE-CG2 3.22Å; T566-N568 PolarHBondContact OG1-ND2 2.86Å; T566-F575 HydrophobicContact CG2-CE2 4.12Å; T566-F575 HydrophobicContact CG2-CZ 3.78Å; T566-H576 CarbonylContact C-O 3.46Å; T566-H576 WeakPolarHBondContact CA-O 3.43Å; T566-I609 CarbonylContact O-C 3.3Å; T566-I609 VanDerWaalsContact O-CA 3.3Å; T566-I609 WeakPolarHBondContact O-CA 3.29Å; T566-D610 PolarHBondContact N-O 2.73Å; T566-D610 PolarHBondContact O-N 3.41Å; T566-D610 WeakPolarHBondContact OG1-CB 3.27Å; T566-Y612 HydrophobicContact CG2-CD2 4.47Å; T566-Y612 HydrophobicContact CG2-CE2 3.95Å
567L88.7Confident80.1Confident3 Ų337.7 Ų37.72%0.01619%0.185CC..EExtended strand (participates in β ladder)trans-104.8128169.5174.572.9000108.7L532 Y574 F575 H576 L591 P592 I609L532-L567 HydrophobicContact CD1-CD1 3.73Å; L567-Y574 HydrophobicContact CD2-CE1 4.05Å; L567-F575 WeakPolarHBondContact O-CA 3.44Å; L567-H576 PolarHBondContact N-O 2.88Å; L567-H576 PolarHBondContact O-N 2.79Å; L567-L591 HydrophobicContact CD1-CD2 4.38Å; L567-P592 HydrophobicContact CD2-CG 3.23Å; L567-I609 HydrophobicContact CD1-CD1 4.24Å; L567-I609 HydrophobicContact CD1-CG1 3.66Å
568N87.4Confident81Confident6 Ų633.7 Ų33.73%0.03215%0.15CC..EExtended strand (participates in β ladder)trans-128.1132.6-175.9-64.3-60.3000110.6T566 F575 S607 F608T566-N568 PolarHBondContact OG1-ND2 2.86Å; N568-F575 WeakPolarHBondContact OD1-CD2 3.31Å; N568-F575 WeakPolarHBondContact OD1-CE2 3.14Å; N568-S607 WeakPolarHBondContact O-CA 3.39Å; N568-F608 HydrophobicContact CB-CD1 4.5Å; N568-F608 HydrophobicContact CB-CD2 4.01Å; N568-F608 HydrophobicContact CB-CE1 4.06Å; N568-F608 HydrophobicContact CB-CE2 3.54Å; N568-F608 HydrophobicContact CB-CG 4.47Å; N568-F608 HydrophobicContact CB-CZ 3.56Å; N568-F608 PolarHBondContact N-O 3.03Å; N568-F608 WeakPolarHBondContact ND2-CE2 3.48Å; N568-F608 PolarHBondContact O-N 3.07Å
569T81.2Confident82Confident9 Ų932.5 Ų32.56%0.05515%0.146CC..EExtended strand (participates in β ladder)trans-133.4101.1172.363.90000108.6W571 C572 N573 Y574 S607T569-W571 PolarHBondContact O-N 3.08Å; T569-C572 PolarHBondContact OG1-SG 2.73Å; T569-N573 PolarHBondContact O-N 2.81Å; T569-Y574 PolarHBondContact N-O 3.29Å; T569-Y574 PolarHBondContact O-N 3.49Å; T569-Y574 VanDerWaalsContact O-N 3.15Å; T569-Y574 VanDerWaalsContact OG1-CB 3.24Å; T569-Y574 WeakPolarHBondContact OG1-CB 3.24Å; T569-Y574 PolarHBondContact OG1-O 3.3Å; T569-S607 WeakPolarHBondContact CB-OG 3.23Å; T569-S607 WeakPolarHBondContact CG2-OG 3.46Å
570I77.5Confident82.8Confident42 Ų4223.7 Ų23.722%0.21511%0.113CC..G310 helixtrans-63.3-47.9-165.6-65.4168.1000111.9P319 T322 C572 N573 F608P319-I570 HydrophobicContact CG-CG1 4.34Å; T322-I570 HydrophobicContact CG2-CD1 3.5Å; T322-I570 VanDerWaalsContact CG2-CD1 3.5Å; I570-C572 PolarHBondContact O-N 3.09Å; I570-C572 VanDerWaalsContact O-N 3.1Å; I570-N573 PolarHBondContact O-N 3.31Å; I570-F608 HydrophobicContact CD1-CE1 3.69Å; I570-F608 HydrophobicContact CD1-CZ 4.37Å; I570-F608 HydrophobicContact CG1-CE1 4Å
571W71.3Confident83.1Confident42 Ų4218.8 Ų18.816%0.15910%0.099CC..G310 helixtrans-62.4-21.6-172.755.470.9000115.2T569 Y601 F602 S605 S607T569-W571 PolarHBondContact O-N 3.08Å; W571-Y601 HydrophobicContact CB-CE1 4.31Å; W571-F602 HydrophobicContact CB-CD1 4.04Å; W571-F602 HydrophobicContact CB-CE1 3.64Å; W571-F602 AromaticContact CD1-CE1 3.48Å; W571-F602 VanDerWaalsContact CD1-CE1 3.48Å; W571-F602 AromaticContact CD2-CD1 3.48Å; W571-F602 HydrophobicContact CD2-CD1 3.48Å; W571-F602 VanDerWaalsContact CD2-CD1 3.48Å; W571-F602 AromaticContact CD2-CE1 3.77Å; W571-F602 HydrophobicContact CD2-CE1 3.77Å; W571-F602 AromaticContact CE2-CD1 3.9Å; W571-F602 AromaticContact CE3-CD1 3.68Å; W571-F602 HydrophobicContact CE3-CD1 3.68Å; W571-F602 HydrophobicContact CE3-CE1 4.39Å; W571-F602 AromaticContact CG-CD1 3.61Å; W571-F602 HydrophobicContact CG-CD1 3.61Å; W571-F602 AromaticContact CG-CE1 3.36Å; W571-F602 HydrophobicContact CG-CE1 3.36Å; W571-F602 HydrophobicContact CZ3-CD1 4.22Å; W571-F602 AromaticContact NE1-CE1 3.97Å; W571-S605 VanDerWaalsContact CZ3-C 3.41Å; W571-S605 WeakPolarHBondContact CZ3-O 3.4Å; W571-S607 VanDerWaalsContact CH2-OG 3.24Å; W571-S607 WeakPolarHBondContact CH2-OG 3.43Å; W571-S607 WeakPolarHBondContact CZ2-OG 3.44Å
572C74.1Confident82.9Confident24 Ų2420.4 Ų20.416%0.16211%0.109CC..G310 helixtrans-117.415.1176.659.10000112.4T569 I570 Y574T569-C572 PolarHBondContact OG1-SG 2.73Å; I570-C572 PolarHBondContact O-N 3.09Å; I570-C572 VanDerWaalsContact O-N 3.1Å; C572-Y574 PolarHBondContact O-N 3.23Å; C572-Y574 VanDerWaalsContact O-N 3.08Å
573N81.8Confident82.5Confident48 Ų4826.5 Ų26.526%0.25714%0.142SC..THydrogen-bonded Turntrans51.134.3178.8-58.4-49.4000113.7L263 A267 T569 I570L263-N573 HydrophobicContact CD2-CB 3.26Å; A267-N573 WeakPolarHBondContact CB-O 3.24Å; T569-N573 PolarHBondContact O-N 2.81Å; I570-N573 PolarHBondContact O-N 3.31Å
574Y84.6Confident81.8Confident42 Ų4233.1 Ų33.117%0.16517%0.171CC..EExtended strand (participates in β ladder)trans-97.9126.5-178173.6-74.7000110.4L567 T569 C572 H576 P592L567-Y574 HydrophobicContact CD2-CE1 4.05Å; T569-Y574 PolarHBondContact N-O 3.29Å; T569-Y574 PolarHBondContact O-N 3.49Å; T569-Y574 VanDerWaalsContact O-N 3.15Å; T569-Y574 VanDerWaalsContact OG1-CB 3.24Å; T569-Y574 WeakPolarHBondContact OG1-CB 3.24Å; T569-Y574 PolarHBondContact OG1-O 3.3Å; C572-Y574 PolarHBondContact O-N 3.23Å; C572-Y574 VanDerWaalsContact O-N 3.08Å; Y574-H576 HydrophobicContact CE1-CB 3.89Å; Y574-P592 HydrophobicContact CE1-CG 3.67Å
575F89.4Confident81.1Confident4 Ų437.3 Ų37.32%0.01820%0.197CC..EExtended strand (participates in β ladder)trans-133.1129.5179172.6-70.1000108S266 A267 W272 T317 L425 P426 T566 L567 N568 Y577S266-F575 CarbonylContact C-O 3.52Å; S266-F575 PolarHBondContact OG-O 2.87Å; A267-F575 HydrophobicContact CB-CB 4.01Å; A267-F575 PolarHBondContact N-O 3.31Å; W272-F575 AromaticContact CD1-CD1 3.84Å; W272-F575 AromaticContact CD1-CE1 3.54Å; W272-F575 HydrophobicContact CG-CE1 4.3Å; W272-F575 AromaticContact NE1-CE1 3.97Å; T317-F575 HydrophobicContact CG2-CD1 4.29Å; T317-F575 HydrophobicContact CG2-CD2 3.5Å; T317-F575 VanDerWaalsContact CG2-CD2 3.5Å; T317-F575 HydrophobicContact CG2-CE1 4.28Å; T317-F575 HydrophobicContact CG2-CE2 3.55Å; T317-F575 HydrophobicContact CG2-CG 3.97Å; T317-F575 HydrophobicContact CG2-CZ 3.97Å; L425-F575 HydrophobicContact CD2-CE2 4.27Å; L425-F575 HydrophobicContact CD2-CZ 4.39Å; P426-F575 HydrophobicContact CG-CE1 4.4Å; P426-F575 HydrophobicContact CG-CZ 4.36Å; T566-F575 HydrophobicContact CG2-CE2 4.12Å; T566-F575 HydrophobicContact CG2-CZ 3.78Å; L567-F575 WeakPolarHBondContact O-CA 3.44Å; N568-F575 WeakPolarHBondContact OD1-CD2 3.31Å; N568-F575 WeakPolarHBondContact OD1-CE2 3.14Å; F575-Y577 HydrophobicContact CE1-CD1 4.41Å
576H87.6Confident80.7Confident21 Ų2142 Ų4210%0.09722%0.218CC..EExtended strand (participates in β ladder)trans-135.7135.3174.4-174.3-95000109.2E33 T566 L567 Y574E33-H576 IonicContact OE2-CD2 3.14Å; E33-H576 IonicContact OE2-CE1 3.82Å; E33-H576 IonicContact OE2-NE2 2.79Å; E33-H576 PolarHBondContact OE2-NE2 2.83Å; T566-H576 CarbonylContact C-O 3.46Å; T566-H576 WeakPolarHBondContact CA-O 3.43Å; L567-H576 PolarHBondContact N-O 2.88Å; L567-H576 PolarHBondContact O-N 2.79Å; Y574-H576 HydrophobicContact CE1-CB 3.89Å
577Y89.4Confident80.3Confident22 Ų2242.8 Ų42.89%0.08622%0.222CC..EExtended strand (participates in β ladder)trans-123.6138.6175.692.3-84.2000112.1R36 W272 P426 V565 F575 P579R36-Y577 PolarHBondContact NH1-O 2.75Å; R36-Y577 PolarHBondContact NH1-OH 2.89Å; R36-Y577 PolarHBondContact NH2-O 2.98Å; R36-Y577 VanDerWaalsContact NH2-O 3.09Å; W272-Y577 HydrophobicContact CB-CD1 3.68Å; W272-Y577 HydrophobicContact CB-CE1 3.39Å; W272-Y577 HydrophobicContact CG-CD1 4.47Å; W272-Y577 HydrophobicContact CG-CE1 4.4Å; W272-Y577 WeakPolarHBondContact O-CD1 3.41Å; W272-Y577 WeakPolarHBondContact O-CE1 3.32Å; P426-Y577 HydrophobicContact CB-CD1 3.89Å; P426-Y577 HydrophobicContact CB-CD2 4.04Å; P426-Y577 HydrophobicContact CB-CE1 3.5Å; P426-Y577 HydrophobicContact CB-CE2 3.71Å; P426-Y577 HydrophobicContact CB-CG 4.1Å; P426-Y577 HydrophobicContact CG-CD1 3.47Å; P426-Y577 VanDerWaalsContact CG-CD1 3.47Å; P426-Y577 HydrophobicContact CG-CD2 3.6Å; P426-Y577 HydrophobicContact CG-CE1 3.67Å; P426-Y577 HydrophobicContact CG-CE2 3.84Å; P426-Y577 HydrophobicContact CG-CG 3.38Å; V565-Y577 CarbonylContact O-C 3.5Å; V565-Y577 VanDerWaalsContact O-CA 3.32Å; V565-Y577 WeakPolarHBondContact O-CA 3.44Å; F575-Y577 HydrophobicContact CE1-CD1 4.41Å; Y577-P579 HydrophobicContact CE2-CB 4.25Å; Y577-P579 HydrophobicContact CE2-CG 4.36Å
578V87.1Confident79.9Confident18 Ų1846 Ų4611%0.10925%0.245CC..EExtended strand (participates in β ladder)trans-116.3113.9176.5-1780000108.8M564 V565 I587 F589M564-V578 WeakPolarHBondContact CA-O 3.39Å; V565-V578 PolarHBondContact N-O 2.97Å; V565-V578 PolarHBondContact O-N 3.43Å; V578-I587 HydrophobicContact CG1-CG2 3.62Å; V578-F589 HydrophobicContact CB-CD1 4.15Å; V578-F589 HydrophobicContact CB-CE1 4.18Å; V578-F589 HydrophobicContact CG1-CD1 4.13Å; V578-F589 HydrophobicContact CG2-CB 4.28Å; V578-F589 HydrophobicContact CG2-CD1 3.74Å; V578-F589 HydrophobicContact CG2-CD2 4.24Å; V578-F589 HydrophobicContact CG2-CE1 4.01Å; V578-F589 HydrophobicContact CG2-CE2 4.49Å; V578-F589 HydrophobicContact CG2-CG 3.84Å; V578-F589 HydrophobicContact CG2-CZ 4.37Å
579P86.9Confident79.4Confident44 Ų4446.8 Ų46.829%0.28625%0.248SC..EExtended strand (participates in β ladder)trans-73.9131.3176.329.7-33.5000110.9P428 M562 Y577 G581P428-P579 HydrophobicContact CB-CB 3.83Å; P428-P579 HydrophobicContact CG-CB 4.38Å; M562-P579 HydrophobicContact CE-CB 3.58Å; Y577-P579 HydrophobicContact CE2-CB 4.25Å; Y577-P579 HydrophobicContact CE2-CG 4.36Å; P579-G581 PolarHBondContact O-N 3.42Å
580I82.4Confident79.1Confident3 Ų349.4 Ų49.42%0.01526%0.26CS..EExtended strand (participates in β ladder)trans-88.184.1172.3-51.9169.7000109.2I550 M562 G563 V565 I587 L613 Y619I550-I580 HydrophobicContact CG2-CD1 4.35Å; M562-I580 WeakPolarHBondContact CG-O 3.4Å; G563-I580 WeakPolarHBondContact O-CA 3.29Å; G563-I580 WeakPolarHBondContact O-CB 3.46Å; G563-I580 PolarHBondContact O-N 2.88Å; V565-I580 HydrophobicContact CG2-CD1 3.95Å; V565-I580 HydrophobicContact CG2-CG1 4.39Å; I580-I587 VanDerWaalsContact CA-CD1 3.49Å; I580-I587 HydrophobicContact CB-CD1 3.96Å; I580-I587 HydrophobicContact CG1-CD1 4.07Å; I580-I587 HydrophobicContact CG2-CD1 3.8Å; I580-L613 HydrophobicContact CD1-CD2 4.35Å; I580-Y619 HydrophobicContact CD1-CD1 4.37Å; I580-Y619 HydrophobicContact CD1-CE1 3.85Å; I580-Y619 HydrophobicContact CG2-CE1 3.95Å
581G72.7Confident78.9Confident17 Ų1747.6 Ų47.618%0.17525%0.251CS..  trans-67.4156.5-178.100000114.6P579 D583P579-G581 PolarHBondContact O-N 3.42Å; G581-D583 VanDerWaalsContact C-N 3.29Å; G581-D583 PolarHBondContact O-N 3.41Å
582N67.1Low78.4Confident53 Ų5348 Ų4828%0.28326%0.259SS..SBendtrans-69.5-22.6178.3-74.6-22.1000114.3R552R552-N582 PolarHBondContact NH1-OD1 3.44Å; R552-N582 PolarHBondContact NH2-O 2.85Å
583D67.5Low77.5Confident152 Ų15248.9 Ų48.981%0.81326%0.261SS*.SBendtrans-87.7-22.7-176-55.6-30.6000112.5G581G581-D583 VanDerWaalsContact C-N 3.29Å; G581-D583 PolarHBondContact O-N 3.41Å
584K69.9Low75.9Confident141 Ų14148.1 Ų48.161%0.61326%0.259SS*.  trans-98.5121.9-177.8-64.9-174.2179.3-177.20109.9I587K584-I587 HydrophobicContact CB-CG1 4.23Å
585T75.1Confident74.2Confident92 Ų9247.7 Ų47.756%0.56426%0.263SS*.SBendtrans-81.8-28.517549.10000112.2K551 R552K551-T585 WeakPolarHBondContact CA-O 3.11Å; R552-T585 PolarHBondContact N-O 2.97Å
586E82.5Confident72.4Confident99 Ų9947.6 Ų47.646%0.46326%0.263SS..EExtended strand (participates in β ladder)trans-131.4137-179-54-168.1169.100109.7I550 K551I550-E586 WeakPolarHBondContact O-CA 3.5Å; K551-E586 HydrophobicContact CB-CG 4.4Å; K551-E586 HydrophobicContact CD-CG 4.22Å; K551-E586 WeakPolarHBondContact CD-OE1 3.43Å; K551-E586 WeakPolarHBondContact CE-OE1 3.25Å; K551-E586 HydrophobicContact CG-CG 3.94Å; K551-E586 IonicContact NZ-OE1 2.68Å; K551-E586 PolarHBondContact NZ-OE1 3.03Å; K551-E586 IonicContact NZ-OE2 2.78Å; K551-E586 PolarHBondContact NZ-OE2 3.43Å
587I82Confident70.3Confident17 Ų1749.5 Ų49.59%0.08728%0.278CS..EExtended strand (participates in β ladder)trans-132121178.1-60.3174.4000107.1I550 V578 I580 K584I550-I587 PolarHBondContact N-O 3.3Å; I550-I587 PolarHBondContact O-N 2.89Å; V578-I587 HydrophobicContact CG1-CG2 3.62Å; I580-I587 VanDerWaalsContact CA-CD1 3.49Å; I580-I587 HydrophobicContact CB-CD1 3.96Å; I580-I587 HydrophobicContact CG1-CD1 4.07Å; I580-I587 HydrophobicContact CG2-CD1 3.8Å; K584-I587 HydrophobicContact CB-CG1 4.23Å
588S79.5Confident68Low70 Ų7052 Ų5249%0.4929%0.29SS..EExtended strand (participates in β ladder)trans-114.8131.2171580000109L548 Y624L548-S588 VanDerWaalsContact O-CA 3.29Å; L548-S588 WeakPolarHBondContact O-CA 3.27Å; S588-Y624 WeakPolarHBondContact CB-OH 3.32Å
589F78.2Confident65.9Low23 Ų2354 Ų5410%0.10130%0.304CS..EExtended strand (participates in β ladder)trans-137.6150.516666.6-89000110.2N547 L548 I550 V565 V578 L591N547-F589 WeakPolarHBondContact CA-O 3.27Å; L548-F589 HydrophobicContact CB-CE1 4.32Å; L548-F589 HydrophobicContact CB-CE2 4.5Å; L548-F589 HydrophobicContact CB-CZ 4.25Å; L548-F589 HydrophobicContact CD2-CE1 3.69Å; L548-F589 HydrophobicContact CD2-CE2 4.32Å; L548-F589 HydrophobicContact CD2-CZ 3.47Å; L548-F589 VanDerWaalsContact CD2-CZ 3.47Å; L548-F589 HydrophobicContact CG-CE1 4.42Å; L548-F589 HydrophobicContact CG-CZ 4.44Å; L548-F589 PolarHBondContact N-O 2.74Å; L548-F589 PolarHBondContact O-N 3.44Å; L548-F589 VanDerWaalsContact O-N 3.09Å; I550-F589 HydrophobicContact CD1-CE1 4.05Å; V565-F589 HydrophobicContact CB-CE1 4.32Å; V565-F589 HydrophobicContact CB-CZ 4.38Å; V565-F589 HydrophobicContact CG1-CE1 4.15Å; V565-F589 HydrophobicContact CG1-CZ 3.79Å; V578-F589 HydrophobicContact CB-CD1 4.15Å; V578-F589 HydrophobicContact CB-CE1 4.18Å; V578-F589 HydrophobicContact CG1-CD1 4.13Å; V578-F589 HydrophobicContact CG2-CB 4.28Å; V578-F589 HydrophobicContact CG2-CD1 3.74Å; V578-F589 HydrophobicContact CG2-CD2 4.24Å; V578-F589 HydrophobicContact CG2-CE1 4.01Å; V578-F589 HydrophobicContact CG2-CE2 4.49Å; V578-F589 HydrophobicContact CG2-CG 3.84Å; V578-F589 HydrophobicContact CG2-CZ 4.37Å; F589-L591 HydrophobicContact CE2-CD2 3.9Å
590Q74.3Confident63.8Low63 Ų6358.7 Ų58.729%0.29433%0.327SS..EExtended strand (participates in β ladder)trans-79.7131.6-179.3-160.5-152.5-4200109.5G545 N547 P592G545-Q590 VanDerWaalsContact O-CG 3.22Å; G545-Q590 WeakPolarHBondContact O-CG 3.29Å; N547-Q590 VanDerWaalsContact OD1-CA 3.23Å; N547-Q590 WeakPolarHBondContact OD1-CA 3.25Å; N547-Q590 VanDerWaalsContact OD1-CB 3.32Å; N547-Q590 WeakPolarHBondContact OD1-CB 3.16Å; N547-Q590 VanDerWaalsContact OD1-CG 3.28Å; N547-Q590 WeakPolarHBondContact OD1-CG 3.24Å; Q590-P592 VanDerWaalsContact O-CD 3.28Å; Q590-P592 WeakPolarHBondContact O-CD 3.36Å
591L72.6Confident62.1Low5 Ų563.5 Ų63.53%0.02635%0.346CS..PPolyproline II helixtrans-70.1117.2168.6-63.1175.8000107.8L501 L532 Y537 G545 P546 L548 L567 F589 I609L501-L591 HydrophobicContact CD1-CD1 4.09Å; L532-L591 HydrophobicContact CD2-CD1 4.36Å; Y537-L591 HydrophobicContact CD1-CD1 4.31Å; Y537-L591 HydrophobicContact CE1-CD1 4.44Å; G545-L591 WeakPolarHBondContact CA-O 3.45Å; P546-L591 HydrophobicContact CG-CD1 4.2Å; P546-L591 VanDerWaalsContact O-CB 3.31Å; P546-L591 WeakPolarHBondContact O-CB 3.38Å; P546-L591 WeakPolarHBondContact O-CG 3.39Å; P546-L591 PolarHBondContact O-N 3.05Å; L548-L591 HydrophobicContact CB-CD2 4.37Å; L548-L591 HydrophobicContact CB-CG 4.43Å; L567-L591 HydrophobicContact CD1-CD2 4.38Å; F589-L591 HydrophobicContact CE2-CD2 3.9Å; L591-I609 HydrophobicContact CD1-CD1 4.31Å; L591-I609 HydrophobicContact CD2-CD1 3.38Å; L591-I609 HydrophobicContact CD2-CG1 4.46Å
592P61.3Low61Low51 Ų5163.8 Ų63.833%0.33134%0.342SS..PPolyproline II helixtrans-68.1140.4173.331.1-33.5000109L567 Y574 Q590L567-P592 HydrophobicContact CD2-CG 3.23Å; Y574-P592 HydrophobicContact CE1-CG 3.67Å; Q590-P592 VanDerWaalsContact O-CD 3.28Å; Q590-P592 WeakPolarHBondContact O-CD 3.36Å
593I55.1Low60.1Low42 Ų4269.8 Ų69.822%0.21537%0.366CS..  trans-105.9125.6173.9-43.5148.4000107.2Y538 L539 T543 I544 G545Y538-I593 HydrophobicContact CD2-CG2 4.14Å; L539-I593 HydrophobicContact CB-CD1 3.34Å; L539-I593 HydrophobicContact CB-CG1 4.21Å; L539-I593 WeakPolarHBondContact O-CG2 3.26Å; T543-I593 WeakPolarHBondContact O-CD1 3.36Å; I544-I593 VanDerWaalsContact C-CD1 3.48Å; G545-I593 VanDerWaalsContact CA-CG1 3.46Å
594S48.9Very low59.4Low31 Ų3166.6 Ų66.622%0.21735%0.346CS..  trans-82.7139.9172.951.10000109.3Y538 I596Y538-S594 WeakPolarHBondContact CE2-O 3.46Å; S594-I596 PolarHBondContact O-N 2.77Å
595S49.5Very low59.1Low34 Ų3460 Ų6024%0.23832%0.318CS..  trans-74.1112.8167.852.70000108.4L247 Q253L247-S595 VanDerWaalsContact CD1-OG 3.28Å; L247-S595 WeakPolarHBondContact CD1-OG 3.43Å; Q253-S595 PolarHBondContact NE2-O 3.47Å
596I50.2Low59Low2 Ų257.2 Ų57.21%0.0130%0.301CS..  trans-87140.1179.4-77.9169.4000109.6I534 Y538 S594 F598 F602 Q716I534-I596 HydrophobicContact CD1-CD1 3.99Å; I534-I596 HydrophobicContact CG1-CD1 4.17Å; I534-I596 HydrophobicContact CG2-CD1 4.23Å; Y538-I596 HydrophobicContact CD2-CD1 3.72Å; Y538-I596 HydrophobicContact CD2-CG1 4.27Å; Y538-I596 HydrophobicContact CE2-CB 3.67Å; Y538-I596 HydrophobicContact CE2-CD1 3.56Å; Y538-I596 HydrophobicContact CE2-CG1 3.62Å; Y538-I596 PolarHBondContact OH-N 3.02Å; S594-I596 PolarHBondContact O-N 2.77Å; I596-F598 HydrophobicContact CG2-CD2 4.24Å; I596-F598 HydrophobicContact CG2-CG 4.16Å; I596-F602 HydrophobicContact CG2-CD2 3.88Å; I596-F602 HydrophobicContact CG2-CE2 4.13Å; I596-F602 HydrophobicContact CG2-CG 4.34Å; I596-Q716 PolarHBondContact O-NE2 3.05Å; I596-Q716 PolarHBondContact O-OE1 3.28Å
597S43.3Very low58.9Low61 Ų6153 Ų5343%0.42728%0.283SS..  trans-87.5117149.8170.20000106.1S599 F602S597-S599 VanDerWaalsContact C-N 3.27Å; S597-S599 PolarHBondContact O-N 3.34Å; S597-F602 WeakPolarHBondContact O-CD2 3.46Å; S597-F602 WeakPolarHBondContact O-CE2 3.34Å
598F42.2Very low59.1Low75 Ų7552.2 Ų52.233%0.32928%0.279SS..  trans-67.282.6-175-86.7-88.8000111I596 L719I596-F598 HydrophobicContact CG2-CD2 4.24Å; I596-F598 HydrophobicContact CG2-CG 4.16Å; F598-L719 HydrophobicContact CB-CD1 4.26Å
599S43.4Very low59.6Low58 Ų5848.9 Ų48.941%0.40626%0.255SS..  trans-96.3151.4159.577.30000109.3S597 Y601 F602S597-S599 VanDerWaalsContact C-N 3.27Å; S597-S599 PolarHBondContact O-N 3.34Å; S599-Y601 PolarHBondContact O-N 2.94Å; S599-Y601 VanDerWaalsContact OG-CB 3.31Å; S599-Y601 WeakPolarHBondContact OG-CB 3.45Å; S599-F602 WeakPolarHBondContact O-CD2 3.34Å; S599-F602 PolarHBondContact O-N 2.97Å; S599-F602 VanDerWaalsContact OG-CE2 3.26Å; S599-F602 WeakPolarHBondContact OG-CE2 3.5Å
600N42.8Very low60.2Low144 Ų14447.8 Ų47.877%0.7725%0.251SS*.G310 helixtrans-60.8-12.9178.7-77.5-24.7000113.5F602 K603N600-F602 PolarHBondContact O-N 3.32Å; N600-F602 VanDerWaalsContact O-N 3.15Å; N600-K603 PolarHBondContact O-N 3.24Å
601Y45.4Very low61.1Low104 Ų10444.9 Ų44.941%0.40824%0.237SC..G310 helixtrans-55-28.2175.8-165.9-99.4000113.6W571 S599W571-Y601 HydrophobicContact CB-CE1 4.31Å; S599-Y601 PolarHBondContact O-N 2.94Å; S599-Y601 VanDerWaalsContact OG-CB 3.31Å; S599-Y601 WeakPolarHBondContact OG-CB 3.45Å
602F49.9Very low61.9Low22 Ų2244.7 Ų44.710%0.09624%0.236CC..G310 helixtrans-81.5-20-172.4-63.4-73.4000115.2I534 W571 I596 S597 S599 N600 E604I534-F602 HydrophobicContact CD1-CB 3.96Å; W571-F602 HydrophobicContact CB-CD1 4.04Å; W571-F602 HydrophobicContact CB-CE1 3.64Å; W571-F602 AromaticContact CD1-CE1 3.48Å; W571-F602 VanDerWaalsContact CD1-CE1 3.48Å; W571-F602 AromaticContact CD2-CD1 3.48Å; W571-F602 HydrophobicContact CD2-CD1 3.48Å; W571-F602 VanDerWaalsContact CD2-CD1 3.48Å; W571-F602 AromaticContact CD2-CE1 3.77Å; W571-F602 HydrophobicContact CD2-CE1 3.77Å; W571-F602 AromaticContact CE2-CD1 3.9Å; W571-F602 AromaticContact CE3-CD1 3.68Å; W571-F602 HydrophobicContact CE3-CD1 3.68Å; W571-F602 HydrophobicContact CE3-CE1 4.39Å; W571-F602 AromaticContact CG-CD1 3.61Å; W571-F602 HydrophobicContact CG-CD1 3.61Å; W571-F602 AromaticContact CG-CE1 3.36Å; W571-F602 HydrophobicContact CG-CE1 3.36Å; W571-F602 HydrophobicContact CZ3-CD1 4.22Å; W571-F602 AromaticContact NE1-CE1 3.97Å; I596-F602 HydrophobicContact CG2-CD2 3.88Å; I596-F602 HydrophobicContact CG2-CE2 4.13Å; I596-F602 HydrophobicContact CG2-CG 4.34Å; S597-F602 WeakPolarHBondContact O-CD2 3.46Å; S597-F602 WeakPolarHBondContact O-CE2 3.34Å; S599-F602 WeakPolarHBondContact O-CD2 3.34Å; S599-F602 PolarHBondContact O-N 2.97Å; S599-F602 VanDerWaalsContact OG-CE2 3.26Å; S599-F602 WeakPolarHBondContact OG-CE2 3.5Å; N600-F602 PolarHBondContact O-N 3.32Å; N600-F602 VanDerWaalsContact O-N 3.15Å; F602-E604 PolarHBondContact O-N 3.45Å
603K49.3Very low63.3Low180 Ų18042.3 Ų42.378%0.78322%0.22SC*.G310 helixtrans-65.6-19.5173.7-81.6-172.5177.4-178.70112.4N600N600-K603 PolarHBondContact O-N 3.24Å
604E52.5Low64.8Low84 Ų8440.5 Ų40.539%0.39321%0.211SC..THydrogen-bonded Turntrans-91.2-34.5-170.7-78.4-176.8-177.500112.8I325 F602 P606I325-E604 HydrophobicContact CB-CB 4Å; I325-E604 HydrophobicContact CD1-CB 3.39Å; I325-E604 HydrophobicContact CD1-CG 3.81Å; I325-E604 WeakPolarHBondContact CD1-O 3.5Å; I325-E604 HydrophobicContact CG1-CB 3.54Å; I325-E604 HydrophobicContact CG1-CG 3.92Å; I325-E604 HydrophobicContact CG2-CB 3.83Å; I325-E604 WeakPolarHBondContact CG2-OE2 3.4Å; F602-E604 PolarHBondContact O-N 3.45Å; E604-P606 VanDerWaalsContact C-CD 3.44Å; E604-P606 VanDerWaalsContact O-CD 3.24Å; E604-P606 WeakPolarHBondContact O-CD 3.43Å
605S64.1Low66.5Low4 Ų439.6 Ų39.63%0.02821%0.205CC..SBendtrans-12153.9-171.649.30000114.5W571W571-S605 VanDerWaalsContact CZ3-C 3.41Å; W571-S605 WeakPolarHBondContact CZ3-O 3.4Å
606P71.2Confident68.2Low32 Ų3240.3 Ų40.321%0.20821%0.206CC..  trans-50.4146.4-172.823.4-34.2000112.9Y531 E604 F608Y531-P606 HydrophobicContact CD1-CB 4.14Å; Y531-P606 HydrophobicContact CD1-CG 3.58Å; Y531-P606 HydrophobicContact CE1-CG 4.05Å; Y531-P606 HydrophobicContact CG-CG 4.31Å; E604-P606 VanDerWaalsContact C-CD 3.44Å; E604-P606 VanDerWaalsContact O-CD 3.24Å; E604-P606 WeakPolarHBondContact O-CD 3.43Å; P606-F608 WeakPolarHBondContact O-CD1 3.29Å
607S81Confident69.9Low12 Ų1240.3 Ų40.38%0.08421%0.206CC..EExtended strand (participates in β ladder)trans-59.3146169.9-63.30000110L532 N568 T569 W571L532-S607 PolarHBondContact N-O 3.05Å; N568-S607 WeakPolarHBondContact O-CA 3.39Å; T569-S607 WeakPolarHBondContact CB-OG 3.23Å; T569-S607 WeakPolarHBondContact CG2-OG 3.46Å; W571-S607 VanDerWaalsContact CH2-OG 3.24Å; W571-S607 WeakPolarHBondContact CH2-OG 3.43Å; W571-S607 WeakPolarHBondContact CZ2-OG 3.44Å
608F86.5Confident72.1Confident0 Ų039 Ų390%020%0.195CC..EExtended strand (participates in β ladder)trans-145.9158.6178.957.6-89.6000112.9P319 T322 R529 F530 Y531 N568 I570 P606P319-F608 HydrophobicContact CB-CE2 4.02Å; P319-F608 HydrophobicContact CB-CZ 3.54Å; P319-F608 HydrophobicContact CG-CZ 4.02Å; T322-F608 HydrophobicContact CG2-CD1 4.44Å; T322-F608 HydrophobicContact CG2-CE1 3.65Å; T322-F608 HydrophobicContact CG2-CZ 3.98Å; R529-F608 HydrophobicContact CG-CB 4.11Å; R529-F608 HydrophobicContact CG-CD2 4.28Å; R529-F608 HydrophobicContact CG-CG 4.43Å; R529-F608 VanDerWaalsContact CZ-CE2 3.43Å; R529-F608 VanDerWaalsContact NE-CD2 3.32Å; R529-F608 VanDerWaalsContact NH2-CE2 3.3Å; F530-F608 CarbonylContact O-C 3.49Å; F530-F608 WeakPolarHBondContact O-CA 3.15Å; F530-F608 VanDerWaalsContact O-CB 3.28Å; F530-F608 WeakPolarHBondContact O-CB 3.33Å; Y531-F608 HydrophobicContact CD1-CB 3.74Å; Y531-F608 HydrophobicContact CD1-CD1 4.35Å; Y531-F608 HydrophobicContact CD1-CG 4.43Å; Y531-F608 HydrophobicContact CE1-CB 4.12Å; Y531-F608 HydrophobicContact CE1-CD1 4.12Å; Y531-F608 HydrophobicContact CE1-CG 4.36Å; Y531-F608 HydrophobicContact CG-CB 4.41Å; N568-F608 HydrophobicContact CB-CD1 4.5Å; N568-F608 HydrophobicContact CB-CD2 4.01Å; N568-F608 HydrophobicContact CB-CE1 4.06Å; N568-F608 HydrophobicContact CB-CE2 3.54Å; N568-F608 HydrophobicContact CB-CG 4.47Å; N568-F608 HydrophobicContact CB-CZ 3.56Å; N568-F608 PolarHBondContact N-O 3.03Å; N568-F608 WeakPolarHBondContact ND2-CE2 3.48Å; N568-F608 PolarHBondContact O-N 3.07Å; I570-F608 HydrophobicContact CD1-CE1 3.69Å; I570-F608 HydrophobicContact CD1-CZ 4.37Å; I570-F608 HydrophobicContact CG1-CE1 4Å; P606-F608 WeakPolarHBondContact O-CD1 3.29Å
609I89.9Confident74.5Confident0 Ų035.5 Ų35.50%018%0.18CC..EExtended strand (participates in β ladder)trans-115.2126.8175.6-54.2-172.2000108.7L501 R529 F530 L532 L548 V565 T566 L567 L591 F611L501-I609 HydrophobicContact CD1-CD1 3.8Å; R529-I609 CarbonylContact C-O 3.52Å; R529-I609 VanDerWaalsContact CA-O 3.31Å; R529-I609 WeakPolarHBondContact CA-O 3.48Å; F530-I609 PolarHBondContact N-O 3.21Å; F530-I609 PolarHBondContact O-N 2.56Å; L532-I609 HydrophobicContact CD1-CD1 4.24Å; L532-I609 HydrophobicContact CD1-CG1 3.99Å; L532-I609 HydrophobicContact CD2-CD1 4.24Å; L532-I609 HydrophobicContact CD2-CG1 4.4Å; L532-I609 HydrophobicContact CG-CG1 4.3Å; L548-I609 HydrophobicContact CD2-CD1 4.12Å; V565-I609 HydrophobicContact CG1-CG2 3.29Å; T566-I609 CarbonylContact O-C 3.3Å; T566-I609 VanDerWaalsContact O-CA 3.3Å; T566-I609 WeakPolarHBondContact O-CA 3.29Å; L567-I609 HydrophobicContact CD1-CD1 4.24Å; L567-I609 HydrophobicContact CD1-CG1 3.66Å; L591-I609 HydrophobicContact CD1-CD1 4.31Å; L591-I609 HydrophobicContact CD2-CD1 3.38Å; L591-I609 HydrophobicContact CD2-CG1 4.46Å; I609-F611 HydrophobicContact CB-CE2 4.32Å; I609-F611 HydrophobicContact CG2-CD2 4.13Å; I609-F611 HydrophobicContact CG2-CE2 3.68Å; I609-F611 HydrophobicContact CG2-CZ 4.05Å
610D91.2Very high76.7Confident0 Ų034.4 Ų34.40%017%0.168CC..EExtended strand (participates in β ladder)trans-103.9131.2169-60.5-29.7000110.3F527 H528 R529 V565 T566 Y612F527-D610 HydrophobicContact CE2-CB 3.82Å; F527-D610 HydrophobicContact CZ-CB 4.49Å; H528-D610 CarbonylContact O-C 3.47Å; H528-D610 WeakPolarHBondContact O-CA 3.43Å; R529-D610 WeakPolarHBondContact CB-OD1 3.29Å; R529-D610 WeakPolarHBondContact CG-OD1 3.38Å; R529-D610 IonicContact CZ-OD1 3.19Å; R529-D610 IonicContact CZ-OD2 3.75Å; R529-D610 IonicContact NE-OD1 2.67Å; R529-D610 PolarHBondContact NE-OD1 2.77Å; R529-D610 IonicContact NE-OD2 3.02Å; R529-D610 VanDerWaalsContact NH2-CG 3.33Å; R529-D610 IonicContact NH2-OD1 2.72Å; R529-D610 PolarHBondContact NH2-OD1 3.34Å; R529-D610 VanDerWaalsContact NH2-OD1 3.14Å; R529-D610 IonicContact NH2-OD2 3.7Å; R529-D610 PolarHBondContact NH2-OD2 3.44Å; V565-D610 CarbonylContact C-O 3.56Å; V565-D610 WeakPolarHBondContact CA-O 3.41Å; T566-D610 PolarHBondContact N-O 2.73Å; T566-D610 PolarHBondContact O-N 3.41Å; T566-D610 WeakPolarHBondContact OG1-CB 3.27Å; D610-Y612 HydrophobicContact CB-CD2 4.42Å; D610-Y612 HydrophobicContact CB-CE2 3.63Å
611F92.1Very high78.9Confident1 Ų127.6 Ų27.60%0.00413%0.132CC..EExtended strand (participates in β ladder)trans-101.6127.7169.8-65.8-95.1000108.7L501 F527 H528 F530 L548 I550 V565 I609 L613 V621L501-F611 HydrophobicContact CD2-CE2 4.46Å; F527-F611 WeakPolarHBondContact CA-O 3.44Å; H528-F611 HydrophobicContact CB-CB 4.3Å; H528-F611 PolarHBondContact N-O 3.38Å; H528-F611 VanDerWaalsContact N-O 3.11Å; H528-F611 PolarHBondContact O-N 2.88Å; F530-F611 AromaticContact CD2-CD2 3.7Å; F530-F611 HydrophobicContact CD2-CD2 3.7Å; F530-F611 AromaticContact CD2-CE2 3.42Å; F530-F611 HydrophobicContact CD2-CE2 3.42Å; F530-F611 VanDerWaalsContact CD2-CE2 3.42Å; F530-F611 AromaticContact CE2-CD2 3.96Å; F530-F611 HydrophobicContact CE2-CD2 3.96Å; F530-F611 AromaticContact CE2-CE2 3.84Å; F530-F611 HydrophobicContact CE2-CE2 3.84Å; F530-F611 HydrophobicContact CG-CE2 4.39Å; L548-F611 HydrophobicContact CD2-CE1 4.22Å; L548-F611 HydrophobicContact CD2-CZ 3.86Å; I550-F611 HydrophobicContact CD1-CD1 4.49Å; I550-F611 HydrophobicContact CD1-CE1 3.79Å; I550-F611 HydrophobicContact CG1-CE1 4.17Å; V565-F611 HydrophobicContact CG1-CD1 4.29Å; V565-F611 HydrophobicContact CG1-CE1 4.18Å; V565-F611 HydrophobicContact CG1-CZ 4.48Å; V565-F611 HydrophobicContact CG2-CD1 3.47Å; V565-F611 VanDerWaalsContact CG2-CD1 3.47Å; V565-F611 HydrophobicContact CG2-CE1 3.74Å; V565-F611 HydrophobicContact CG2-CG 4.35Å; I609-F611 HydrophobicContact CB-CE2 4.32Å; I609-F611 HydrophobicContact CG2-CD2 4.13Å; I609-F611 HydrophobicContact CG2-CE2 3.68Å; I609-F611 HydrophobicContact CG2-CZ 4.05Å; F611-L613 HydrophobicContact CB-CD2 3.95Å; F611-L613 HydrophobicContact CB-CG 4.06Å; F611-L613 HydrophobicContact CD1-CD2 4.14Å; F611-V621 HydrophobicContact CE1-CG1 4.28Å; F611-V621 HydrophobicContact CE1-CG2 3.84Å; F611-V621 HydrophobicContact CZ-CG1 3.92Å; F611-V621 HydrophobicContact CZ-CG2 4.19Å
612Y90.4Very high80.7Confident2 Ų223.1 Ų23.11%0.00812%0.116CC..EExtended strand (participates in β ladder)trans-114.698.9167.5-55.4-93.7000106.3L320 L388 L425 F527 G563 M564 T566 D610L320-Y612 HydrophobicContact CD1-CE1 3.63Å; L320-Y612 WeakPolarHBondContact CD1-OH 3.38Å; L388-Y612 HydrophobicContact CD1-CD1 4.22Å; L425-Y612 HydrophobicContact CD1-CE1 3.82Å; L425-Y612 HydrophobicContact CD1-CE2 4.22Å; F527-Y612 HydrophobicContact CD2-CD1 4.13Å; F527-Y612 AromaticContact CD2-CE1 3.76Å; F527-Y612 HydrophobicContact CD2-CE1 3.76Å; F527-Y612 HydrophobicContact CE2-CE1 4.05Å; G563-Y612 CarbonylContact C-O 3.55Å; G563-Y612 WeakPolarHBondContact CA-O 3.45Å; M564-Y612 HydrophobicContact CE-CD2 3.95Å; M564-Y612 HydrophobicContact CE-CE2 4.08Å; M564-Y612 HydrophobicContact CG-CD2 3.77Å; M564-Y612 HydrophobicContact CG-CG 4.03Å; M564-Y612 PolarHBondContact N-O 2.97Å; M564-Y612 PolarHBondContact O-N 2.61Å; M564-Y612 HydrophobicContact SD-CD2 4.41Å; T566-Y612 HydrophobicContact CG2-CD2 4.47Å; T566-Y612 HydrophobicContact CG2-CE2 3.95Å; D610-Y612 HydrophobicContact CB-CD2 4.42Å; D610-Y612 HydrophobicContact CB-CE2 3.63Å
613L89.8Confident82.3Confident1 Ų122.3 Ų22.31%0.00511%0.113CC..  trans-94.7150.7-170.2-57.9-178.7000111.7F519 P521 I526 I580 F611 Y619F519-L613 HydrophobicContact CB-CD1 3.59Å; F519-L613 HydrophobicContact CD2-CD1 4.48Å; F519-L613 HydrophobicContact CG-CD1 3.99Å; P521-L613 HydrophobicContact CB-CB 4.07Å; P521-L613 HydrophobicContact CG-CB 3.5Å; P521-L613 VanDerWaalsContact CG-CB 3.5Å; P521-L613 HydrophobicContact CG-CD1 3.96Å; P521-L613 HydrophobicContact CG-CG 4.39Å; I526-L613 WeakPolarHBondContact CG1-O 3.45Å; I526-L613 WeakPolarHBondContact CG2-O 3.37Å; I526-L613 PolarHBondContact O-N 3.32Å; I580-L613 HydrophobicContact CD1-CD2 4.35Å; F611-L613 HydrophobicContact CB-CD2 3.95Å; F611-L613 HydrophobicContact CB-CG 4.06Å; F611-L613 HydrophobicContact CD1-CD2 4.14Å; L613-Y619 HydrophobicContact CB-CD2 3.96Å; L613-Y619 HydrophobicContact CB-CE2 3.66Å; L613-Y619 HydrophobicContact CD1-CD2 3.93Å; L613-Y619 HydrophobicContact CD1-CE2 4.5Å; L613-Y619 HydrophobicContact CD1-CG 4.38Å; L613-Y619 HydrophobicContact CD2-CD1 4.08Å; L613-Y619 HydrophobicContact CD2-CD2 3.82Å; L613-Y619 HydrophobicContact CD2-CE1 4.2Å; L613-Y619 HydrophobicContact CD2-CE2 3.97Å; L613-Y619 HydrophobicContact CD2-CG 3.87Å; L613-Y619 HydrophobicContact CG-CD2 4.12Å; L613-Y619 HydrophobicContact CG-CE2 4.24Å
614D86.8Confident83.7Confident4 Ų416.3 Ų16.32%0.0219%0.085CC..  trans-79.4124.5171.1-179.31.2000109.9P521 F561 N616 C617 Y619P521-D614 WeakPolarHBondContact CG-O 3.34Å; F561-D614 HydrophobicContact CD1-CB 4.39Å; D614-N616 PolarHBondContact O-N 2.97Å; D614-N616 VanDerWaalsContact O-N 3.07Å; D614-N616 WeakPolarHBondContact OD1-CB 3.39Å; D614-N616 PolarHBondContact OD1-N 3.21Å; D614-N616 PolarHBondContact OD1-ND2 2.83Å; D614-C617 HydrophobicContact CB-CB 4.44Å; D614-C617 PolarHBondContact O-N 2.57Å; D614-C617 VanDerWaalsContact O-N 3.12Å; D614-Y619 VanDerWaalsContact CB-OH 3.29Å; D614-Y619 WeakPolarHBondContact CB-OH 3.01Å; D614-Y619 PolarHBondContact N-OH 3.33Å
615P84.4Confident84.8Confident12 Ų1213 Ų138%0.0787%0.069CC..THydrogen-bonded Turntrans-57.2-22.6176.219.7-29.3000114.5I360 N522 I526 C617I360-P615 HydrophobicContact CD1-CG 3.59Å; I360-P615 HydrophobicContact CG1-CG 4.26Å; N522-P615 VanDerWaalsContact CG-O 3.29Å; N522-P615 PolarHBondContact ND2-O 3.22Å; N522-P615 PolarHBondContact OD1-O 2.98Å; I526-P615 HydrophobicContact CD1-CB 3.83Å; I526-P615 HydrophobicContact CD1-CG 3.69Å; I526-P615 HydrophobicContact CG1-CB 4.4Å; P615-C617 PolarHBondContact O-N 3.28Å
616N85Confident85.2Confident49 Ų4913.8 Ų13.826%0.2628%0.075SC..THydrogen-bonded Turntrans-80.1-0.9-178-66.8-34.7000113.9C555 S556 D614C555-N616 VanDerWaalsContact CA-O 3.29Å; C555-N616 WeakPolarHBondContact CA-O 3.42Å; S556-N616 PolarHBondContact N-O 3.1Å; S556-N616 VanDerWaalsContact N-O 3.09Å; S556-N616 WeakPolarHBondContact OG-CB 3.06Å; D614-N616 PolarHBondContact O-N 2.97Å; D614-N616 VanDerWaalsContact O-N 3.07Å; D614-N616 WeakPolarHBondContact OD1-CB 3.39Å; D614-N616 PolarHBondContact OD1-N 3.21Å; D614-N616 PolarHBondContact OD1-ND2 2.83Å
617C87.5Confident85.1Confident2 Ų216.8 Ų16.81%0.0149%0.089CC..SBendtrans-132.5152.6-171-70.10000112.1P521 R552 C555 D614 P615 Y619P521-C617 WeakPolarHBondContact CD-O 3.28Å; R552-C617 HydrophobicContact CG-CB 4.04Å; C555-C617 HydrophobicContact CB-CB 4.27Å; C555-C617 WeakPolarHBondContact CB-SG 3.43Å; C555-C617 WeakPolarHBondContact SG-CB 3.32Å; C555-C617 CovalentContact SG-SG 2.04Å; C555-C617 PolarHBondContact SG-SG 3.18Å; D614-C617 HydrophobicContact CB-CB 4.44Å; D614-C617 PolarHBondContact O-N 2.57Å; D614-C617 VanDerWaalsContact O-N 3.12Å; P615-C617 PolarHBondContact O-N 3.28Å; C617-Y619 HydrophobicContact CB-CD2 4.46Å; C617-Y619 HydrophobicContact CB-CE2 3.67Å
618V89.9Confident84.6Confident34 Ų3419.4 Ų19.421%0.20610%0.101CC..EExtended strand (participates in β ladder)trans-103.2140.2169.3179.80000108.9F519 N520 K553 N554F519-V618 WeakPolarHBondContact O-CA 3.26Å; F519-V618 WeakPolarHBondContact O-CG1 3.39Å; N520-V618 HydrophobicContact CB-CG2 4.39Å; K553-V618 PolarHBondContact N-O 3.25Å; K553-V618 PolarHBondContact O-N 2.61Å; K553-V618 VanDerWaalsContact O-O 3.12Å; N554-V618 HydrophobicContact CB-CG2 4.37Å
619Y91Very high83.9Confident1 Ų120 Ų200%0.00411%0.105CC..EExtended strand (participates in β ladder)trans-119.8138.3-177.3-62.5-91.7000111.2T518 F519 P521 I550 K551 R552 I580 L613 D614 C617T518-Y619 CarbonylContact C-O 3.54Å; T518-Y619 VanDerWaalsContact CA-O 3.25Å; T518-Y619 WeakPolarHBondContact CA-O 3.37Å; F519-Y619 PolarHBondContact N-O 3.14Å; F519-Y619 PolarHBondContact O-N 2.72Å; P521-Y619 HydrophobicContact CG-CD2 4Å; P521-Y619 HydrophobicContact CG-CE2 4.02Å; I550-Y619 HydrophobicContact CG2-CD1 3.98Å; K551-Y619 CarbonylContact O-C 3.59Å; K551-Y619 WeakPolarHBondContact O-CA 3Å; R552-Y619 HydrophobicContact CB-CD1 4.35Å; R552-Y619 HydrophobicContact CB-CE1 4.26Å; R552-Y619 HydrophobicContact CG-CD1 4.29Å; R552-Y619 HydrophobicContact CG-CE1 3.87Å; I580-Y619 HydrophobicContact CD1-CD1 4.37Å; I580-Y619 HydrophobicContact CD1-CE1 3.85Å; I580-Y619 HydrophobicContact CG2-CE1 3.95Å; L613-Y619 HydrophobicContact CB-CD2 3.96Å; L613-Y619 HydrophobicContact CB-CE2 3.66Å; L613-Y619 HydrophobicContact CD1-CD2 3.93Å; L613-Y619 HydrophobicContact CD1-CE2 4.5Å; L613-Y619 HydrophobicContact CD1-CG 4.38Å; L613-Y619 HydrophobicContact CD2-CD1 4.08Å; L613-Y619 HydrophobicContact CD2-CD2 3.82Å; L613-Y619 HydrophobicContact CD2-CE1 4.2Å; L613-Y619 HydrophobicContact CD2-CE2 3.97Å; L613-Y619 HydrophobicContact CD2-CG 3.87Å; L613-Y619 HydrophobicContact CG-CD2 4.12Å; L613-Y619 HydrophobicContact CG-CE2 4.24Å; D614-Y619 VanDerWaalsContact CB-OH 3.29Å; D614-Y619 WeakPolarHBondContact CB-OH 3.01Å; D614-Y619 PolarHBondContact N-OH 3.33Å; C617-Y619 HydrophobicContact CB-CD2 4.46Å; C617-Y619 HydrophobicContact CB-CE2 3.67Å
620E89.4Confident83Confident35 Ų3524 Ų2416%0.16412%0.121CC..EExtended strand (participates in β ladder)trans-112.6119168.3-81.4172.8-170.100108I516 T518 I550 K551 K553I516-E620 HydrophobicContact CG2-CB 3.7Å; I516-E620 HydrophobicContact CG2-CG 3.62Å; T518-E620 HydrophobicContact CG2-CG 3.75Å; I550-E620 CarbonylContact C-O 3.46Å; I550-E620 WeakPolarHBondContact CA-O 3.24Å; K551-E620 HydrophobicContact CB-CB 4.18Å; K551-E620 PolarHBondContact N-O 3.11Å; K551-E620 PolarHBondContact O-N 3.47Å; K553-E620 WeakPolarHBondContact CD-OE1 3.44Å; K553-E620 WeakPolarHBondContact CE-OE1 3.18Å; K553-E620 WeakPolarHBondContact CE-OE2 3.12Å; K553-E620 IonicContact NZ-OE1 3.71Å; K553-E620 PolarHBondContact NZ-OE1 3.35Å; K553-E620 IonicContact NZ-OE2 2.89Å; K553-E620 PolarHBondContact NZ-OE2 3.44Å
621V89Confident81.7Confident0 Ų027.4 Ų27.40%014%0.136CC..EExtended strand (participates in β ladder)trans-109.2131.1178.1-178.80000108.5L501 T517 F519 L548 L549 I550 F611L501-V621 HydrophobicContact CD2-CG1 4.33Å; T517-V621 PolarHBondContact N-O 2.95Å; T517-V621 PolarHBondContact O-N 3.45Å; T517-V621 PolarHBondContact OG1-O 2.85Å; F519-V621 HydrophobicContact CD2-CG2 3.8Å; F519-V621 HydrophobicContact CE2-CB 3.96Å; F519-V621 HydrophobicContact CE2-CG2 3.61Å; L548-V621 HydrophobicContact CD1-CG1 3.54Å; L548-V621 HydrophobicContact CG-CG1 4.37Å; L549-V621 WeakPolarHBondContact O-CA 3.09Å; I550-V621 HydrophobicContact CG1-CG2 4.39Å; F611-V621 HydrophobicContact CE1-CG1 4.28Å; F611-V621 HydrophobicContact CE1-CG2 3.84Å; F611-V621 HydrophobicContact CZ-CG1 3.92Å; F611-V621 HydrophobicContact CZ-CG2 4.19Å
622S84.3Confident80.6Confident11 Ų1127.8 Ų27.88%0.07714%0.138CC..EExtended strand (participates in β ladder)trans-143.9155.8174.178.90000111.1S514 L549S514-S622 VanDerWaalsContact OG-CB 3.31Å; S514-S622 WeakPolarHBondContact OG-CB 3.38Å; S514-S622 PolarHBondContact OG-OG 3.19Å; L549-S622 PolarHBondContact N-O 2.73Å; L549-S622 PolarHBondContact O-N 3.46Å
623V83.3Confident79.4Confident5 Ų527.9 Ų27.93%0.0314%0.139CC..EExtended strand (participates in β ladder)trans-118.1126-179.3-178.50000108.6L501 Y503 S514 Y537 P546 N547 L548L501-V623 HydrophobicContact CB-CG2 4.13Å; L501-V623 HydrophobicContact CD1-CG2 3.97Å; L501-V623 HydrophobicContact CD2-CG2 4.5Å; L501-V623 HydrophobicContact CG-CG2 4.46Å; Y503-V623 HydrophobicContact CD2-CG1 4.43Å; S514-V623 WeakPolarHBondContact CB-O 3.03Å; Y537-V623 HydrophobicContact CE1-CG1 4.48Å; P546-V623 HydrophobicContact CB-CG1 3.51Å; P546-V623 HydrophobicContact CG-CG1 4.06Å; N547-V623 WeakPolarHBondContact O-CA 3.38Å; L548-V623 HydrophobicContact CD1-CG2 3.85Å
624Y77.9Confident78.2Confident53 Ų5328.5 Ų28.521%0.20814%0.142CC..EExtended strand (participates in β ladder)trans-139.7158.1-177.373.6-77.8000112.2N547 L549 S588N547-Y624 HydrophobicContact CB-CD1 3.92Å; N547-Y624 HydrophobicContact CB-CD2 4.47Å; N547-Y624 HydrophobicContact CB-CE1 3.48Å; N547-Y624 VanDerWaalsContact CB-CE1 3.48Å; N547-Y624 HydrophobicContact CB-CE2 4.13Å; N547-Y624 HydrophobicContact CB-CG 4.4Å; N547-Y624 WeakPolarHBondContact CB-O 3.12Å; N547-Y624 PolarHBondContact N-O 2.65Å; N547-Y624 WeakPolarHBondContact O-CD1 3.34Å; N547-Y624 PolarHBondContact O-N 3.11Å; L549-Y624 HydrophobicContact CB-CD1 3.9Å; L549-Y624 HydrophobicContact CB-CE1 3.71Å; L549-Y624 HydrophobicContact CD1-CE1 4.45Å; L549-Y624 HydrophobicContact CD2-CE1 4.42Å; L549-Y624 HydrophobicContact CG-CE1 4.42Å; S588-Y624 WeakPolarHBondContact CB-OH 3.32Å
625Y75.4Confident77.1Confident14 Ų1429.6 Ų29.66%0.05515%0.148CC..  trans-100.8141.6172.3-70.7-83.9000111Y503 Y510 L539 P546Y503-Y625 AromaticContact CE2-CE2 3.52Å; Y503-Y625 HydrophobicContact CE2-CE2 3.52Å; Y503-Y625 AromaticContact CE2-CZ 3.83Å; Y503-Y625 VanDerWaalsContact CE2-OH 3.3Å; Y503-Y625 WeakPolarHBondContact CE2-OH 3Å; Y503-Y625 AromaticContact CZ-CE2 4Å; Y503-Y625 PolarHBondContact OH-OH 3.33Å; Y510-Y625 HydrophobicContact CD1-CG 4.41Å; Y510-Y625 HydrophobicContact CE1-CG 4.09Å; Y510-Y625 HydrophobicContact CE2-CD2 4.49Å; L539-Y625 HydrophobicContact CD1-CE1 4.19Å; P546-Y625 HydrophobicContact CB-CD1 4.24Å; P546-Y625 HydrophobicContact CB-CE1 3.78Å; P546-Y625 HydrophobicContact CB-CE2 4.36Å; P546-Y625 HydrophobicContact CG-CE1 4.32Å
626S73.2Confident76.3Confident21 Ų2134.1 Ų34.115%0.14716%0.163CC..  trans-114.7116.31751730000110.5I628 S629 W630S626-I628 PolarHBondContact O-N 2.67Å; S626-I628 PolarHBondContact OG-N 3.17Å; S626-S629 WeakPolarHBondContact O-CB 3.4Å; S626-S629 PolarHBondContact O-N 2.75Å; S626-S629 PolarHBondContact OG-N 2.92Å; S626-W630 PolarHBondContact O-N 3.48Å; S626-W630 VanDerWaalsContact O-N 3.16Å
627L69.2Low75.2Confident95 Ų9534.4 Ų34.450%0.49716%0.164SC..Hα-helixtrans-59.9-34.8172.7-72.3170.8000111.9Y510 W630 F631Y510-L627 HydrophobicContact CD1-CD2 4.36Å; L627-W630 WeakPolarHBondContact O-CB 3.29Å; L627-W630 PolarHBondContact O-N 3.21Å; L627-W630 VanDerWaalsContact O-N 3.12Å; L627-F631 VanDerWaalsContact O-CD2 3.23Å; L627-F631 WeakPolarHBondContact O-CD2 3.25Å; L627-F631 PolarHBondContact O-N 2.89Å
628I70.9Confident74Confident67 Ų6735.7 Ų35.734%0.34417%0.17SC..Hα-helixtrans-66.5-41.4178.5-65.9159.1000110.5H27 S626 W630 F631 S632H27-I628 HydrophobicContact CB-CG2 4.08Å; S626-I628 PolarHBondContact O-N 2.67Å; S626-I628 PolarHBondContact OG-N 3.17Å; I628-W630 PolarHBondContact O-N 3.2Å; I628-F631 PolarHBondContact O-N 2.97Å; I628-S632 VanDerWaalsContact O-CB 3.28Å; I628-S632 WeakPolarHBondContact O-CB 3.43Å; I628-S632 PolarHBondContact O-N 2.68Å
629S70.7Confident72.6Confident13 Ų1337.5 Ų37.59%0.09118%0.184CC..Hα-helixtrans-60.4-32.6173.4-173.30000111.4S626 S632 Q633S626-S629 WeakPolarHBondContact O-CB 3.4Å; S626-S629 PolarHBondContact O-N 2.75Å; S626-S629 PolarHBondContact OG-N 2.92Å; S629-S632 WeakPolarHBondContact O-CB 3.48Å; S629-S632 PolarHBondContact O-N 2.69Å; S629-Q633 WeakPolarHBondContact O-CG 3.24Å; S629-Q633 PolarHBondContact O-N 3.09Å
630W70.8Confident70.9Confident85 Ų8541.7 Ų41.732%0.32221%0.209SC..Hα-helixtrans-65.2-56.6179.5-166.438.8000111.7I544 S626 L627 I628 S632 Q633 L634I544-W630 HydrophobicContact CD1-CB 3Å; I544-W630 VanDerWaalsContact CD1-CD1 3.44Å; I544-W630 HydrophobicContact CD1-CG 3.45Å; I544-W630 VanDerWaalsContact CD1-CG 3.45Å; I544-W630 VanDerWaalsContact CD1-N 3.29Å; I544-W630 VanDerWaalsContact CG1-CA 3.4Å; I544-W630 HydrophobicContact CG1-CB 3.84Å; I544-W630 HydrophobicContact CG1-CG 4.06Å; S626-W630 PolarHBondContact O-N 3.48Å; S626-W630 VanDerWaalsContact O-N 3.16Å; L627-W630 WeakPolarHBondContact O-CB 3.29Å; L627-W630 PolarHBondContact O-N 3.21Å; L627-W630 VanDerWaalsContact O-N 3.12Å; I628-W630 PolarHBondContact O-N 3.2Å; W630-S632 PolarHBondContact O-N 3Å; W630-Q633 PolarHBondContact O-N 3.17Å; W630-Q633 VanDerWaalsContact O-N 3.08Å; W630-L634 HydrophobicContact CD2-CD1 3.92Å; W630-L634 HydrophobicContact CE3-CD1 4.19Å; W630-L634 HydrophobicContact CG-CD1 4.47Å; W630-L634 HydrophobicContact CH2-CD1 3.99Å; W630-L634 HydrophobicContact CZ2-CD1 3.73Å; W630-L634 HydrophobicContact CZ3-CD1 4.21Å; W630-L634 WeakPolarHBondContact O-CG 3.2Å; W630-L634 PolarHBondContact O-N 3.34Å
631F65Low69.2Low71 Ų7145.4 Ų45.431%0.31123%0.227SC..Hα-helixtrans-59.2-38.3179.4-77.2-70000110.5L21 L627 I628 L634 I635L21-F631 HydrophobicContact CD2-CD1 4.4Å; L627-F631 VanDerWaalsContact O-CD2 3.23Å; L627-F631 WeakPolarHBondContact O-CD2 3.25Å; L627-F631 PolarHBondContact O-N 2.89Å; I628-F631 PolarHBondContact O-N 2.97Å; F631-L634 PolarHBondContact O-N 2.9Å; F631-I635 VanDerWaalsContact O-CG1 3.26Å; F631-I635 WeakPolarHBondContact O-CG1 3.41Å; F631-I635 PolarHBondContact O-N 2.87Å
632S68.1Low67.6Low8 Ų847.5 Ų47.56%0.05624%0.236CC..Hα-helixtrans-57.9-46.9173.3154.70000112.9W28 I628 S629 W630 I635 R636W28-S632 WeakPolarHBondContact CB-OG 3.37Å; W28-S632 VanDerWaalsContact CD1-OG 3.29Å; I628-S632 VanDerWaalsContact O-CB 3.28Å; I628-S632 WeakPolarHBondContact O-CB 3.43Å; I628-S632 PolarHBondContact O-N 2.68Å; S629-S632 WeakPolarHBondContact O-CB 3.48Å; S629-S632 PolarHBondContact O-N 2.69Å; W630-S632 PolarHBondContact O-N 3Å; S632-I635 PolarHBondContact O-N 3.02Å; S632-R636 PolarHBondContact O-N 3.16Å
633Q66.7Low66Low5 Ų550.2 Ų50.22%0.02326%0.259CS..Hα-helixtrans-69.7-39.3177.6-73.6-178.53.600113.7I544 S629 W630 I635 R636 L637I544-Q633 VanDerWaalsContact CA-OE1 3.31Å; S629-Q633 WeakPolarHBondContact O-CG 3.24Å; S629-Q633 PolarHBondContact O-N 3.09Å; W630-Q633 PolarHBondContact O-N 3.17Å; W630-Q633 VanDerWaalsContact O-N 3.08Å; Q633-I635 VanDerWaalsContact C-N 3.28Å; Q633-I635 PolarHBondContact O-N 3.05Å; Q633-R636 WeakPolarHBondContact O-CB 3.41Å; Q633-R636 PolarHBondContact O-N 3.47Å; Q633-R636 VanDerWaalsContact O-N 3.1Å; Q633-L637 PolarHBondContact O-N 2.81Å
634L63.5Low64.7Low13 Ų1352.5 Ų52.57%0.06828%0.283CS..Hα-helixtrans-59-44.3174.4-72.8-178.4000110.6W630 F631 H638 L703W630-L634 HydrophobicContact CD2-CD1 3.92Å; W630-L634 HydrophobicContact CE3-CD1 4.19Å; W630-L634 HydrophobicContact CG-CD1 4.47Å; W630-L634 HydrophobicContact CH2-CD1 3.99Å; W630-L634 HydrophobicContact CZ2-CD1 3.73Å; W630-L634 HydrophobicContact CZ3-CD1 4.21Å; W630-L634 WeakPolarHBondContact O-CG 3.2Å; W630-L634 PolarHBondContact O-N 3.34Å; F631-L634 PolarHBondContact O-N 2.9Å; L634-H638 VanDerWaalsContact O-CB 3.29Å; L634-H638 WeakPolarHBondContact O-CB 3.43Å; L634-H638 PolarHBondContact O-N 3.15Å; L634-L703 HydrophobicContact CD1-CD1 4.24Å; L634-L703 HydrophobicContact CD1-CD2 4.48Å; L634-L703 HydrophobicContact CD2-CD2 3.49Å; L634-L703 VanDerWaalsContact CD2-CD2 3.49Å
635I64Low63.3Low28 Ų2851.8 Ų51.814%0.14428%0.282CS..Hα-helixtrans-61.3-50.3171.5-67.1167.5000109.4L21 S24 F631 S632 Q633 L637 H638 C639L21-I635 HydrophobicContact CD2-CD1 4.03Å; L21-I635 HydrophobicContact CD2-CG1 4.37Å; L21-I635 WeakPolarHBondContact O-CD1 3.3Å; S24-I635 WeakPolarHBondContact OG-CD1 3.39Å; F631-I635 VanDerWaalsContact O-CG1 3.26Å; F631-I635 WeakPolarHBondContact O-CG1 3.41Å; F631-I635 PolarHBondContact O-N 2.87Å; S632-I635 PolarHBondContact O-N 3.02Å; Q633-I635 VanDerWaalsContact C-N 3.28Å; Q633-I635 PolarHBondContact O-N 3.05Å; I635-L637 VanDerWaalsContact C-N 3.32Å; I635-L637 PolarHBondContact O-N 2.87Å; I635-H638 PolarHBondContact O-N 3.23Å; I635-C639 HydrophobicContact CG2-CB 4.25Å; I635-C639 WeakPolarHBondContact O-CA 3.21Å; I635-C639 WeakPolarHBondContact O-CB 3.48Å; I635-C639 PolarHBondContact O-N 3.1Å
636R66.3Low62.3Low106 Ų10655.9 Ų55.940%0.431%0.305SS..Hα-helixtrans-52.4-47.5-178.7-176.2-175.373.3-154.7-1.1113.2W28 S632 Q633W28-R636 HydrophobicContact CZ2-CB 4.31Å; W28-R636 HydrophobicContact CZ2-CG 3.71Å; S632-R636 PolarHBondContact O-N 3.16Å; Q633-R636 WeakPolarHBondContact O-CB 3.41Å; Q633-R636 PolarHBondContact O-N 3.47Å; Q633-R636 VanDerWaalsContact O-N 3.1Å
637L63.1Low61.3Low56 Ų5658.5 Ų58.529%0.29332%0.322SS..Hα-helixtrans-82.8-30.6-175.4-68.3169.1000113S541 Q633 I635S541-L637 WeakPolarHBondContact O-CD1 3.46Å; Q633-L637 PolarHBondContact O-N 2.81Å; I635-L637 VanDerWaalsContact C-N 3.32Å; I635-L637 PolarHBondContact O-N 2.87Å
638H63.2Low60.6Low28 Ų2856 Ų5613%0.1332%0.32CS..Hα-helixtrans-113-0.1-173.5-56.2-63.1000115.1L634 I635 T640 H641 F642L634-H638 VanDerWaalsContact O-CB 3.29Å; L634-H638 WeakPolarHBondContact O-CB 3.43Å; L634-H638 PolarHBondContact O-N 3.15Å; I635-H638 PolarHBondContact O-N 3.23Å; H638-T640 PolarHBondContact O-N 2.75Å; H638-T640 VanDerWaalsContact O-N 3.14Å; H638-H641 AromaticContact ND1-CD2 3.73Å; H638-H641 CarbonylContact O-C 3.49Å; H638-H641 WeakPolarHBondContact O-CA 3.4Å; H638-H641 WeakPolarHBondContact O-CB 3.32Å; H638-H641 PolarHBondContact O-N 2.59Å; H638-F642 VanDerWaalsContact C-CD2 3.45Å; H638-F642 HydrophobicContact CB-CD2 4.24Å; H638-F642 HydrophobicContact CB-CE2 3.98Å; H638-F642 WeakPolarHBondContact O-CD2 3.22Å; H638-F642 PolarHBondContact O-N 2.79Å
639C60.5Low59.9Low73 Ų7354 Ų5449%0.49331%0.309SS..Hα-helixtrans-49.3-42.2178.4-169.30000111.7I635 H641 F642I635-C639 HydrophobicContact CG2-CB 4.25Å; I635-C639 WeakPolarHBondContact O-CA 3.21Å; I635-C639 WeakPolarHBondContact O-CB 3.48Å; I635-C639 PolarHBondContact O-N 3.1Å; C639-H641 VanDerWaalsContact C-N 3.32Å; C639-H641 PolarHBondContact O-N 2.69Å; C639-F642 WeakPolarHBondContact O-CB 3.36Å; C639-F642 PolarHBondContact O-N 2.85Å
640T54.2Low59.2Low88 Ų8858 Ų5854%0.5433%0.328SS..Hα-helixtrans-64-36.8177.952.60000112.2H638H638-T640 PolarHBondContact O-N 2.75Å; H638-T640 VanDerWaalsContact O-N 3.14Å
641H54.5Low58.8Low114 Ų11457.8 Ų57.853%0.52834%0.336SS..Hα-helixtrans-74.6-31173.9-58.2-64000112.4H638 C639 A643 G644 L645H638-H641 AromaticContact ND1-CD2 3.73Å; H638-H641 CarbonylContact O-C 3.49Å; H638-H641 WeakPolarHBondContact O-CA 3.4Å; H638-H641 WeakPolarHBondContact O-CB 3.32Å; H638-H641 PolarHBondContact O-N 2.59Å; C639-H641 VanDerWaalsContact C-N 3.32Å; C639-H641 PolarHBondContact O-N 2.69Å; H641-A643 VanDerWaalsContact C-N 3.27Å; H641-A643 PolarHBondContact O-N 3.2Å; H641-G644 PolarHBondContact O-N 3.16Å; H641-L645 HydrophobicContact CB-CD1 4.49Å; H641-L645 WeakPolarHBondContact O-CB 3.35Å; H641-L645 VanDerWaalsContact O-CG 3.24Å; H641-L645 WeakPolarHBondContact O-CG 3.41Å; H641-L645 PolarHBondContact O-N 3.14Å
642F54.7Low58.5Low44 Ų4458.1 Ų58.119%0.19334%0.341CS..Hα-helixtrans-57.5-36.1-179.5-84.4-80.4000113H638 C639 L645 L646 F695H638-F642 VanDerWaalsContact C-CD2 3.45Å; H638-F642 HydrophobicContact CB-CD2 4.24Å; H638-F642 HydrophobicContact CB-CE2 3.98Å; H638-F642 WeakPolarHBondContact O-CD2 3.22Å; H638-F642 PolarHBondContact O-N 2.79Å; C639-F642 WeakPolarHBondContact O-CB 3.36Å; C639-F642 PolarHBondContact O-N 2.85Å; F642-L645 PolarHBondContact O-N 3.23Å; F642-L646 VanDerWaalsContact O-CB 3.29Å; F642-L646 WeakPolarHBondContact O-CB 3.29Å; F642-L646 PolarHBondContact O-N 3.1Å; F642-F695 HydrophobicContact CD1-CZ 4.04Å; F642-F695 HydrophobicContact CE1-CZ 4.03Å
643A51.7Low58Low68 Ų6858.8 Ų58.856%0.56235%0.346SS*.Hα-helixtrans-66.8-46.6178.300000112.4H641 L645 L646 C647H641-A643 VanDerWaalsContact C-N 3.27Å; H641-A643 PolarHBondContact O-N 3.2Å; A643-L645 VanDerWaalsContact C-N 3.29Å; A643-L645 PolarHBondContact O-N 3.41Å; A643-L646 PolarHBondContact O-N 3.21Å; A643-C647 WeakPolarHBondContact O-CB 3.37Å; A643-C647 PolarHBondContact O-N 3.08Å
644G53.9Low57.7Low52 Ų5263.6 Ų63.654%0.53637%0.371SS..Hα-helixtrans-61.8-39.317500000111.9H641 C647 G648H641-G644 PolarHBondContact O-N 3.16Å; G644-C647 PolarHBondContact O-N 2.97Å; G644-G648 PolarHBondContact O-N 3.17Å
645L50.4Low57.6Low38 Ų3865.9 Ų65.920%0.19939%0.385CS..Hα-helixtrans-65.6-48.3175-67.7172.4000112.1H641 F642 A643 C647 G648 H649 F698H641-L645 HydrophobicContact CB-CD1 4.49Å; H641-L645 WeakPolarHBondContact O-CB 3.35Å; H641-L645 VanDerWaalsContact O-CG 3.24Å; H641-L645 WeakPolarHBondContact O-CG 3.41Å; H641-L645 PolarHBondContact O-N 3.14Å; F642-L645 PolarHBondContact O-N 3.23Å; A643-L645 VanDerWaalsContact C-N 3.29Å; A643-L645 PolarHBondContact O-N 3.41Å; L645-C647 PolarHBondContact O-N 2.96Å; L645-G648 PolarHBondContact O-N 3.18Å; L645-G648 VanDerWaalsContact O-N 3.15Å; L645-H649 WeakPolarHBondContact O-CB 3.4Å; L645-H649 PolarHBondContact O-CD2 3.44Å; L645-H649 PolarHBondContact O-N 3.45Å; L645-F698 HydrophobicContact CD1-CD1 4.22Å; L645-F698 HydrophobicContact CD1-CE1 3.73Å; L645-F698 HydrophobicContact CD2-CD1 3.83Å; L645-F698 HydrophobicContact CD2-CE1 3.09Å; L645-F698 HydrophobicContact CD2-CE2 4.48Å; L645-F698 HydrophobicContact CD2-CZ 3.49Å; L645-F698 VanDerWaalsContact CD2-CZ 3.49Å; L645-F698 HydrophobicContact CG-CE1 4.03Å
646L52.9Low57.3Low100 Ų10067.5 Ų67.552%0.52439%0.394SS..Hα-helixtrans-57.4-41.1176.7-172.772.2000110.6F642 A643 H649 L650F642-L646 VanDerWaalsContact O-CB 3.29Å; F642-L646 WeakPolarHBondContact O-CB 3.29Å; F642-L646 PolarHBondContact O-N 3.1Å; A643-L646 PolarHBondContact O-N 3.21Å; L646-H649 PolarHBondContact O-N 2.91Å; L646-L650 HydrophobicContact CG-CD1 4.24Å; L646-L650 WeakPolarHBondContact O-CB 3.31Å; L646-L650 VanDerWaalsContact O-CG 3.26Å; L646-L650 WeakPolarHBondContact O-CG 3.21Å; L646-L650 PolarHBondContact O-N 3.39Å
647C52.6Low56.9Low76 Ų7666.5 Ų66.551%0.51440%0.396SS..Hα-helixtrans-63.8-49175.1-160.80000111.6A643 G644 L645 H649 L650 V651A643-C647 WeakPolarHBondContact O-CB 3.37Å; A643-C647 PolarHBondContact O-N 3.08Å; G644-C647 PolarHBondContact O-N 2.97Å; L645-C647 PolarHBondContact O-N 2.96Å; C647-H649 VanDerWaalsContact C-N 3.29Å; C647-H649 PolarHBondContact O-N 2.88Å; C647-L650 PolarHBondContact O-N 3.14Å; C647-V651 WeakPolarHBondContact O-CG2 3.33Å; C647-V651 PolarHBondContact O-N 3.01Å
648G55.8Low56.6Low43 Ų4367.3 Ų67.344%0.44340%0.403SS..Hα-helixtrans-57.5-40.2175.500000113G644 L645 L652G644-G648 PolarHBondContact O-N 3.17Å; L645-G648 PolarHBondContact O-N 3.18Å; L645-G648 VanDerWaalsContact O-N 3.15Å; G648-L652 WeakPolarHBondContact O-CB 3.11Å; G648-L652 PolarHBondContact O-N 2.65Å
649H55.3Low56.1Low25 Ų2570.6 Ų70.612%0.11642%0.417CS..Hα-helixtrans-71.4-40.1175.9-73.2-66.2000113L645 L646 C647 V651 L652 S653 F695L645-H649 WeakPolarHBondContact O-CB 3.4Å; L645-H649 PolarHBondContact O-CD2 3.44Å; L645-H649 PolarHBondContact O-N 3.45Å; L646-H649 PolarHBondContact O-N 2.91Å; C647-H649 VanDerWaalsContact C-N 3.29Å; C647-H649 PolarHBondContact O-N 2.88Å; H649-V651 VanDerWaalsContact C-N 3.32Å; H649-L652 PolarHBondContact O-N 3.26Å; H649-S653 WeakPolarHBondContact O-CB 3.12Å; H649-S653 PolarHBondContact O-N 3.15Å; H649-S653 PolarHBondContact O-OG 2.66Å; H649-S653 VanDerWaalsContact O-OG 3.13Å; H649-F695 AromaticContact CD2-CD2 3.45Å; H649-F695 VanDerWaalsContact CD2-CD2 3.45Å; H649-F695 WeakPolarHBondContact CD2-CD2 3Å; H649-F695 AromaticContact NE2-CD2 3.58Å
650L56.8Low55.5Low96 Ų9671.3 Ų71.350%0.50341%0.41SS..Hα-helixtrans-60.6-44173.2-77.9171.3000110.6L646 C647 S653 L654L646-L650 HydrophobicContact CG-CD1 4.24Å; L646-L650 WeakPolarHBondContact O-CB 3.31Å; L646-L650 VanDerWaalsContact O-CG 3.26Å; L646-L650 WeakPolarHBondContact O-CG 3.21Å; L646-L650 PolarHBondContact O-N 3.39Å; C647-L650 PolarHBondContact O-N 3.14Å; L650-S653 WeakPolarHBondContact CA-OG 3.14Å; L650-S653 PolarHBondContact O-N 3.42Å; L650-S653 PolarHBondContact O-OG 2.87Å; L650-L654 WeakPolarHBondContact O-CB 3.25Å; L650-L654 VanDerWaalsContact O-CG 3.27Å; L650-L654 WeakPolarHBondContact O-CG 3.43Å; L650-L654 PolarHBondContact O-N 3.02Å
651V62.2Low55.4Low81 Ų8172.8 Ų72.849%0.49141%0.414SS..Hα-helixtrans-61.6-48.5174.4173.80000110.9C647 H649 S653 L654 V655C647-V651 WeakPolarHBondContact O-CG2 3.33Å; C647-V651 PolarHBondContact O-N 3.01Å; H649-V651 VanDerWaalsContact C-N 3.32Å; V651-S653 PolarHBondContact O-N 3.15Å; V651-L654 PolarHBondContact O-N 3.07Å; V651-V655 HydrophobicContact CG1-CG2 4.4Å; V651-V655 VanDerWaalsContact O-CG2 3.27Å; V651-V655 WeakPolarHBondContact O-CG2 3.04Å; V651-V655 PolarHBondContact O-N 3.22Å
652L57.3Low55.3Low78 Ų7871.8 Ų71.841%0.40841%0.411SS..Hα-helixtrans-60.4-43.6178.5-175.367000112.1G648 H649 V655 I656G648-L652 WeakPolarHBondContact O-CB 3.11Å; G648-L652 PolarHBondContact O-N 2.65Å; H649-L652 PolarHBondContact O-N 3.26Å; L652-V655 PolarHBondContact O-N 3.35Å; L652-I656 HydrophobicContact CD1-CD1 4.44Å; L652-I656 HydrophobicContact CG-CD1 4.04Å; L652-I656 VanDerWaalsContact O-CG1 3.31Å; L652-I656 WeakPolarHBondContact O-CG1 3.31Å; L652-I656 PolarHBondContact O-N 3.25Å
653S58Low55Low22 Ų2272 Ų7215%0.15442%0.418CS..Hα-helixtrans-64.9-39.6177.5660000112.4H649 L650 V651 I656 L657H649-S653 WeakPolarHBondContact O-CB 3.12Å; H649-S653 PolarHBondContact O-N 3.15Å; H649-S653 PolarHBondContact O-OG 2.66Å; H649-S653 VanDerWaalsContact O-OG 3.13Å; L650-S653 WeakPolarHBondContact CA-OG 3.14Å; L650-S653 PolarHBondContact O-N 3.42Å; L650-S653 PolarHBondContact O-OG 2.87Å; V651-S653 PolarHBondContact O-N 3.15Å; S653-I656 PolarHBondContact O-N 3.43Å; S653-L657 WeakPolarHBondContact O-CB 3.43Å; S653-L657 PolarHBondContact O-N 3.33Å
654L60.9Low54.7Low106 Ų10672.7 Ų72.756%0.55541%0.409SS*.Hα-helixtrans-64.2-40.7172.8-75.3169.5000111.4L650 V651 L657 T658L650-L654 WeakPolarHBondContact O-CB 3.25Å; L650-L654 VanDerWaalsContact O-CG 3.27Å; L650-L654 WeakPolarHBondContact O-CG 3.43Å; L650-L654 PolarHBondContact O-N 3.02Å; V651-L654 PolarHBondContact O-N 3.07Å; L654-L657 PolarHBondContact O-N 3.28Å; L654-T658 WeakPolarHBondContact O-CB 3.38Å; L654-T658 VanDerWaalsContact O-CG2 3.25Å; L654-T658 WeakPolarHBondContact O-CG2 3.33Å; L654-T658 PolarHBondContact O-N 2.69Å; L654-T658 PolarHBondContact O-OG1 3.03Å
655V61Low54.3Low61 Ų6177.1 Ų77.137%0.3742%0.42SS..Hα-helixtrans-62.3-44.1174.9170.90000110.7V651 L652 T658 F659V651-V655 HydrophobicContact CG1-CG2 4.4Å; V651-V655 VanDerWaalsContact O-CG2 3.27Å; V651-V655 WeakPolarHBondContact O-CG2 3.04Å; V651-V655 PolarHBondContact O-N 3.22Å; L652-V655 PolarHBondContact O-N 3.35Å; V655-T658 WeakPolarHBondContact CA-OG1 3.2Å; V655-T658 PolarHBondContact O-N 2.99Å; V655-T658 PolarHBondContact O-OG1 3.07Å; V655-F659 WeakPolarHBondContact O-CB 3.33Å; V655-F659 PolarHBondContact O-N 3.43Å
656I56.9Low54Low62 Ų6279 Ų7932%0.31843%0.428SS..Hα-helixtrans-66.1-43.5177.7-66.9165.4000111.3L652 S653 F659 R660L652-I656 HydrophobicContact CD1-CD1 4.44Å; L652-I656 HydrophobicContact CG-CD1 4.04Å; L652-I656 VanDerWaalsContact O-CG1 3.31Å; L652-I656 WeakPolarHBondContact O-CG1 3.31Å; L652-I656 PolarHBondContact O-N 3.25Å; S653-I656 PolarHBondContact O-N 3.43Å; I656-F659 PolarHBondContact O-N 2.83Å; I656-R660 PolarHBondContact O-N 2.8Å
657L58.5Low53.7Low86 Ų8680.5 Ų80.545%0.4544%0.436SS..Hα-helixtrans-61.8-44.5176.6-87.8161000112.1S653 L654 R660 L661S653-L657 WeakPolarHBondContact O-CB 3.43Å; S653-L657 PolarHBondContact O-N 3.33Å; L654-L657 PolarHBondContact O-N 3.28Å; L657-R660 PolarHBondContact O-N 2.75Å; L657-L661 PolarHBondContact O-N 2.89Å
658T58Low53.1Low73 Ų7381 Ų8145%0.44843%0.431SS..Hα-helixtrans-65.9-42.9178.149.90000111.5L654 V655 R660 L661 I662L654-T658 WeakPolarHBondContact O-CB 3.38Å; L654-T658 VanDerWaalsContact O-CG2 3.25Å; L654-T658 WeakPolarHBondContact O-CG2 3.33Å; L654-T658 PolarHBondContact O-N 2.69Å; L654-T658 PolarHBondContact O-OG1 3.03Å; V655-T658 WeakPolarHBondContact CA-OG1 3.2Å; V655-T658 PolarHBondContact O-N 2.99Å; V655-T658 PolarHBondContact O-OG1 3.07Å; T658-R660 PolarHBondContact O-N 3.43Å; T658-L661 PolarHBondContact O-N 3.38Å; T658-I662 WeakPolarHBondContact O-CD1 3.48Å; T658-I662 VanDerWaalsContact O-CG1 3.26Å; T658-I662 WeakPolarHBondContact O-CG1 3.25Å; T658-I662 PolarHBondContact O-N 2.94Å; T658-I662 VanDerWaalsContact O-N 3.1Å
659F51.7Low52.4Low96 Ų9687 Ų8742%0.42145%0.452SS..Hα-helixtrans-56.1-36175.7-149-75.4000111.8V655 I656 S663 I871V655-F659 WeakPolarHBondContact O-CB 3.33Å; V655-F659 PolarHBondContact O-N 3.43Å; I656-F659 PolarHBondContact O-N 2.83Å; F659-S663 PolarHBondContact O-N 3.21Å; F659-S663 VanDerWaalsContact O-N 3.13Å; F659-I871 HydrophobicContact CD2-CD1 3.99Å; F659-I871 HydrophobicContact CD2-CG2 4.2Å; F659-I871 HydrophobicContact CE2-CB 4.04Å; F659-I871 HydrophobicContact CE2-CD1 3.43Å; F659-I871 VanDerWaalsContact CE2-CD1 3.43Å; F659-I871 HydrophobicContact CE2-CG1 4.3Å; F659-I871 HydrophobicContact CE2-CG2 3.56Å; F659-I871 HydrophobicContact CZ-CD1 3.85Å
660R48.7Very low51.5Low89 Ų8990.9 Ų90.934%0.33648%0.477SS..Hα-helixtrans-87.6-31.9-178.1-148.8177.5-165.8-166.21.6114.8I656 L657 T658 I662 S663 F664 E683 H687I656-R660 PolarHBondContact O-N 2.8Å; L657-R660 PolarHBondContact O-N 2.75Å; T658-R660 PolarHBondContact O-N 3.43Å; R660-I662 PolarHBondContact O-N 2.93Å; R660-S663 WeakPolarHBondContact CA-OG 3.35Å; R660-S663 WeakPolarHBondContact CG-OG 3.49Å; R660-S663 PolarHBondContact O-N 2.98Å; R660-S663 VanDerWaalsContact O-N 3.16Å; R660-S663 PolarHBondContact O-OG 3.48Å; R660-F664 VanDerWaalsContact O-CB 3.3Å; R660-F664 WeakPolarHBondContact O-CB 3.4Å; R660-F664 PolarHBondContact O-N 2.9Å; R660-E683 IonicContact CZ-OE1 2.97Å; R660-E683 IonicContact CZ-OE2 3.95Å; R660-E683 IonicContact NE-OE2 3.04Å; R660-E683 IonicContact NH1-OE1 3.55Å; R660-E683 PolarHBondContact NH1-OE1 3.36Å; R660-E683 IonicContact NH1-OE2 3.77Å; R660-E683 PolarHBondContact NH1-OE2 3.15Å; R660-E683 IonicContact NH2-OE1 3.33Å; R660-E683 PolarHBondContact NH2-OE1 3.36Å; R660-E683 IonicContact NH2-OE2 3.38Å; R660-H687 PolarHBondContact NH1-NE2 3.18Å
661L52.2Low50.7Low118 Ų11891.6 Ų91.662%0.61849%0.49SS*.Hα-helixtrans-59.2-35.4167.7-80.8163.5000110.8L657 T658 N665L657-L661 PolarHBondContact O-N 2.89Å; T658-L661 PolarHBondContact O-N 3.38Å; L661-N665 PolarHBondContact O-N 2.83Å
662I51.7Low49.5Very low93 Ų9395.8 Ų95.848%0.47751%0.509SS..Hα-helixtrans-67.7-46.7172.7-64.7164.6000110.7T658 R660 F664 N665T658-I662 WeakPolarHBondContact O-CD1 3.48Å; T658-I662 VanDerWaalsContact O-CG1 3.26Å; T658-I662 WeakPolarHBondContact O-CG1 3.25Å; T658-I662 PolarHBondContact O-N 2.94Å; T658-I662 VanDerWaalsContact O-N 3.1Å; R660-I662 PolarHBondContact O-N 2.93Å; I662-F664 PolarHBondContact O-N 3.16Å; I662-N665 PolarHBondContact O-N 2.98Å
663S48.9Very low48.6Very low49 Ų4995.4 Ų95.434%0.34351%0.512SS..Hα-helixtrans-66-34.9178.775.20000113.4F659 R660 N665 E666F659-S663 PolarHBondContact O-N 3.21Å; F659-S663 VanDerWaalsContact O-N 3.13Å; R660-S663 WeakPolarHBondContact CA-OG 3.35Å; R660-S663 WeakPolarHBondContact CG-OG 3.49Å; R660-S663 PolarHBondContact O-N 2.98Å; R660-S663 VanDerWaalsContact O-N 3.16Å; R660-S663 PolarHBondContact O-OG 3.48Å; S663-N665 VanDerWaalsContact C-N 3.31Å; S663-N665 PolarHBondContact O-N 3.36Å; S663-E666 PolarHBondContact O-N 2.76Å
664F44.9Very low47.8Very low83 Ų83104.8 Ų104.836%0.36455%0.546SS..Hα-helixtrans-69.7-29.1-178.6-161.7-93.8000112.6R660 I662 E666 H668R660-F664 VanDerWaalsContact O-CB 3.3Å; R660-F664 WeakPolarHBondContact O-CB 3.4Å; R660-F664 PolarHBondContact O-N 2.9Å; I662-F664 PolarHBondContact O-N 3.16Å; F664-E666 PolarHBondContact O-N 2.97Å; F664-H668 AromaticContact CE1-CD2 3.45Å; F664-H668 VanDerWaalsContact CE1-CD2 3.45Å; F664-H668 WeakPolarHBondContact CE1-CD2 3.49Å; F664-H668 AromaticContact CE2-CD2 4Å; F664-H668 AromaticContact CZ-CD2 3.39Å; F664-H668 WeakPolarHBondContact CZ-CD2 3.42Å; F664-H668 AromaticContact CZ-NE2 3.54Å
665N45.7Very low46.8Very low144 Ų144106.5 Ų106.577%0.7755%0.551SS**Hα-helixtrans-68.9-15.8173.7-96.9-1.1000113.3L661 I662 S663L661-N665 PolarHBondContact O-N 2.83Å; I662-N665 PolarHBondContact O-N 2.98Å; S663-N665 VanDerWaalsContact C-N 3.31Å; S663-N665 PolarHBondContact O-N 3.36Å
666E44.9Very low46.1Very low79 Ų79106.3 Ų106.337%0.36955%0.548SS..Hα-helixtrans-85.1-29.4178.7-67.3-170.8162.700113.1S663 F664 L864S663-E666 PolarHBondContact O-N 2.76Å; F664-E666 PolarHBondContact O-N 2.97Å; E666-L864 WeakPolarHBondContact OE2-CD2 3.28Å
667D44.6Very low45.4Very low130 Ų130110.3 Ų110.370%0.69556%0.563SS**Hα-helixtrans-93.5-7.8-171.6-75.4-22.4000115.3
668H40.6Very low44.5Very low86 Ų86112.6 Ų112.640%0.39857%0.571SS.*  trans-11153.3-172.8-87.5-57.7000116.4F664 N676F664-H668 AromaticContact CE1-CD2 3.45Å; F664-H668 VanDerWaalsContact CE1-CD2 3.45Å; F664-H668 WeakPolarHBondContact CE1-CD2 3.49Å; F664-H668 AromaticContact CE2-CD2 4Å; F664-H668 AromaticContact CZ-CD2 3.39Å; F664-H668 WeakPolarHBondContact CZ-CD2 3.42Å; F664-H668 AromaticContact CZ-NE2 3.54Å; H668-N676 PolarHBondContact CE1-ND2 2.92Å
669L40.9Very low44.1Very low171 Ų171111.7 Ų111.790%0.89557%0.568SS**SBendtrans-88.56.2156.3-105.6148000114
670T38Very low43.9Very low105 Ų105110.9 Ų110.964%0.64457%0.567SS**SBendtrans-137.3115.4177.351.30000115
671S39.6Very low43.9Very low111 Ų111110.1 Ų110.178%0.77657%0.569SS**  trans52.8114.1155.360.80000120.5
672I35.8Very low43.6Very low170 Ų170109.5 Ų109.587%0.87256%0.563SS**  trans-74.9122.8176.8-62.8154.9000110.4
673S38.8Very low43.6Very low69 Ų69107.6 Ų107.648%0.48355%0.552SS.*  trans-144.5154.315977.20000111.2H675 N676S673-H675 PolarHBondContact O-N 2.75Å; S673-N676 PolarHBondContact O-N 2.65Å
674Y42.6Very low43.8Very low219 Ų219109.6 Ų109.686%0.85956%0.558SS**THydrogen-bonded Turntrans-47.7-18.1-171.7-156.9-101.8000115.7N676Y674-N676 PolarHBondContact O-N 2.7Å
675H38.3Very low43.9Very low143 Ų143111.1 Ų111.166%0.66256%0.562SS**Hα-helixtrans-59.5-24.4171.6-83.4-63.9000114.4S673 F677 Q678 S679S673-H675 PolarHBondContact O-N 2.75Å; H675-F677 PolarHBondContact O-N 3.17Å; H675-Q678 PolarHBondContact O-N 2.86Å; H675-S679 PolarHBondContact O-N 2.86Å
676N46.2Very low44.3Very low57 Ų57111.5 Ų111.531%0.30555%0.554SS.*Hα-helixtrans-69.4-32.8-177.8-77.53.1000113.9H668 S673 Y674 Q678 S679 I680H668-N676 PolarHBondContact CE1-ND2 2.92Å; S673-N676 PolarHBondContact O-N 2.65Å; Y674-N676 PolarHBondContact O-N 2.7Å; N676-Q678 VanDerWaalsContact C-N 3.33Å; N676-Q678 PolarHBondContact O-N 2.73Å; N676-S679 PolarHBondContact O-N 2.76Å; N676-I680 WeakPolarHBondContact O-CD1 3.42Å; N676-I680 VanDerWaalsContact O-CG1 3.3Å; N676-I680 WeakPolarHBondContact O-CG1 3.31Å; N676-I680 PolarHBondContact O-N 3Å; N676-I680 VanDerWaalsContact O-N 3.12Å
677F43.2Very low44.6Very low145 Ų145109.5 Ų109.564%0.63654%0.544SS*.Hα-helixtrans-70-34.2-179.1-163.6-99.6000112H675 I681H675-F677 PolarHBondContact O-N 3.17Å; F677-I681 HydrophobicContact CD1-CD1 4.02Å; F677-I681 HydrophobicContact CE1-CD1 3.73Å; F677-I681 PolarHBondContact O-N 2.63Å
678Q39.3Very low44.8Very low134 Ų134108 Ų10863%0.62653%0.533SS*.Hα-helixtrans-73.3-33177.7-141.6165.6300111.8H675 N676 H682H675-Q678 PolarHBondContact O-N 2.86Å; N676-Q678 VanDerWaalsContact C-N 3.33Å; N676-Q678 PolarHBondContact O-N 2.73Å; Q678-H682 PolarHBondContact O-N 2.69Å
679S50.1Low45.2Very low54 Ų54104.8 Ų104.838%0.37852%0.521SS..Hα-helixtrans-63.6-47.2171.9-174.60000111.8H675 N676 I681 H682 E683H675-S679 PolarHBondContact O-N 2.86Å; N676-S679 PolarHBondContact O-N 2.76Å; S679-I681 VanDerWaalsContact C-N 3.33Å; S679-I681 PolarHBondContact O-N 3.46Å; S679-H682 WeakPolarHBondContact O-CB 3.24Å; S679-H682 PolarHBondContact O-N 3.45Å; S679-E683 WeakPolarHBondContact O-CG 3.42Å; S679-E683 PolarHBondContact O-N 3.12Å
680I48.1Very low45.6Very low79 Ų7998.2 Ų98.241%0.40549%0.488SS..Hα-helixtrans-59-42.9-179.6-67.7162.9000111.7N676 E683 I684N676-I680 WeakPolarHBondContact O-CD1 3.42Å; N676-I680 VanDerWaalsContact O-CG1 3.3Å; N676-I680 WeakPolarHBondContact O-CG1 3.31Å; N676-I680 PolarHBondContact O-N 3Å; N676-I680 VanDerWaalsContact O-N 3.12Å; I680-E683 PolarHBondContact O-N 3.34Å; I680-I684 HydrophobicContact CG2-CD1 4.13Å; I680-I684 WeakPolarHBondContact O-CG1 3.46Å; I680-I684 PolarHBondContact O-N 3.21Å; I680-I684 VanDerWaalsContact O-N 3.09Å
681I48.1Very low46.1Very low74 Ų7495.5 Ų95.538%0.37947%0.471SS..Hα-helixtrans-65-42.1176.4-67.2174.7000110.9F677 S679 E683 I684 Y685F677-I681 HydrophobicContact CD1-CD1 4.02Å; F677-I681 HydrophobicContact CE1-CD1 3.73Å; F677-I681 PolarHBondContact O-N 2.63Å; S679-I681 VanDerWaalsContact C-N 3.33Å; S679-I681 PolarHBondContact O-N 3.46Å; I681-E683 PolarHBondContact O-N 3.35Å; I681-I684 PolarHBondContact O-N 3.36Å; I681-Y685 HydrophobicContact CG2-CD2 3.75Å; I681-Y685 HydrophobicContact CG2-CE2 3.46Å; I681-Y685 VanDerWaalsContact CG2-CE2 3.46Å; I681-Y685 WeakPolarHBondContact O-CD2 3.35Å; I681-Y685 PolarHBondContact O-N 3.16Å
682H45.3Very low46.5Very low104 Ų10492.9 Ų92.948%0.48145%0.448SS..Hα-helixtrans-59.3-37.9177.6-152.359.6000111.9Y3 Q678 S679 Y686Y3-H682 AromaticContact CD1-CE1 3.36Å; Y3-H682 WeakPolarHBondContact CD1-CE1 3.22Å; Y3-H682 AromaticContact CE1-CE1 3.64Å; Y3-H682 AromaticContact CE1-NE2 3.88Å; Q678-H682 PolarHBondContact O-N 2.69Å; S679-H682 WeakPolarHBondContact O-CB 3.24Å; S679-H682 PolarHBondContact O-N 3.45Å; H682-Y686 PolarHBondContact O-N 2.96Å
683E52.4Low47.2Very low53 Ų5389.6 Ų89.625%0.24843%0.431CS..Hα-helixtrans-76.6-37.5-179.1-67.8-158.2153.700113.9R660 S679 I680 I681 Y685 Y686 H687R660-E683 IonicContact CZ-OE1 2.97Å; R660-E683 IonicContact CZ-OE2 3.95Å; R660-E683 IonicContact NE-OE2 3.04Å; R660-E683 IonicContact NH1-OE1 3.55Å; R660-E683 PolarHBondContact NH1-OE1 3.36Å; R660-E683 IonicContact NH1-OE2 3.77Å; R660-E683 PolarHBondContact NH1-OE2 3.15Å; R660-E683 IonicContact NH2-OE1 3.33Å; R660-E683 PolarHBondContact NH2-OE1 3.36Å; R660-E683 IonicContact NH2-OE2 3.38Å; S679-E683 WeakPolarHBondContact O-CG 3.42Å; S679-E683 PolarHBondContact O-N 3.12Å; I680-E683 PolarHBondContact O-N 3.34Å; I681-E683 PolarHBondContact O-N 3.35Å; E683-Y685 VanDerWaalsContact C-N 3.28Å; E683-Y685 PolarHBondContact O-N 2.85Å; E683-Y686 PolarHBondContact O-N 3.39Å; E683-H687 PolarHBondContact O-CD2 3.01Å; E683-H687 PolarHBondContact O-N 3.43Å
684I52.3Low47.6Very low91 Ų9190.7 Ų90.747%0.46743%0.429SS..Hα-helixtrans-60.2-43.2174.4-67.5167.2000109.9I680 I681 H687 Q688I680-I684 HydrophobicContact CG2-CD1 4.13Å; I680-I684 WeakPolarHBondContact O-CG1 3.46Å; I680-I684 PolarHBondContact O-N 3.21Å; I680-I684 VanDerWaalsContact O-N 3.09Å; I681-I684 PolarHBondContact O-N 3.36Å; I684-H687 PolarHBondContact O-N 2.8Å; I684-Q688 WeakPolarHBondContact O-CB 3.39Å; I684-Q688 WeakPolarHBondContact O-CG 3.47Å; I684-Q688 PolarHBondContact O-N 2.88Å
685Y47.8Very low47.8Very low116 Ų11682.4 Ų82.446%0.45540%0.397SS..Hα-helixtrans-66-38.5176-75.1-60000112.7I681 E683 A689I681-Y685 HydrophobicContact CG2-CD2 3.75Å; I681-Y685 HydrophobicContact CG2-CE2 3.46Å; I681-Y685 VanDerWaalsContact CG2-CE2 3.46Å; I681-Y685 WeakPolarHBondContact O-CD2 3.35Å; I681-Y685 PolarHBondContact O-N 3.16Å; E683-Y685 VanDerWaalsContact C-N 3.28Å; E683-Y685 PolarHBondContact O-N 2.85Å; Y685-A689 WeakPolarHBondContact O-CB 3.46Å; Y685-A689 PolarHBondContact O-N 3.38Å
686Y53.5Low48.3Very low152 Ų15279.2 Ų79.260%0.59639%0.385SS*.Hα-helixtrans-62.8-44.8175-175.1-94000111.6H682 E683 A689 V690H682-Y686 PolarHBondContact O-N 2.96Å; E683-Y686 PolarHBondContact O-N 3.39Å; Y686-A689 WeakPolarHBondContact O-CB 3.16Å; Y686-A689 PolarHBondContact O-N 3.43Å; Y686-V690 HydrophobicContact CD1-CG2 3.94Å; Y686-V690 HydrophobicContact CE1-CG2 3.58Å; Y686-V690 WeakPolarHBondContact O-CG2 3.32Å; Y686-V690 PolarHBondContact O-N 2.82Å
687H51Low48.3Very low36 Ų3678.6 Ų78.617%0.16739%0.385CS..Hα-helixtrans-68.2-40.8178.8-77.4-60.4000112.6R660 E683 I684 A689 V690 V691R660-H687 PolarHBondContact NH1-NE2 3.18Å; E683-H687 PolarHBondContact O-CD2 3.01Å; E683-H687 PolarHBondContact O-N 3.43Å; I684-H687 PolarHBondContact O-N 2.8Å; H687-A689 VanDerWaalsContact C-N 3.28Å; H687-A689 PolarHBondContact O-N 3Å; H687-V690 PolarHBondContact O-N 3.04Å; H687-V691 WeakPolarHBondContact O-CB 3.48Å; H687-V691 VanDerWaalsContact O-CG2 3.26Å; H687-V691 WeakPolarHBondContact O-CG2 3.5Å; H687-V691 PolarHBondContact O-N 3.07Å
688Q49.1Very low48.5Very low99 Ų9975.5 Ų75.546%0.46337%0.371SS..Hα-helixtrans-57.6-44.3170.5-74.5177.4-9.800110.8I684 V691 L692I684-Q688 WeakPolarHBondContact O-CB 3.39Å; I684-Q688 WeakPolarHBondContact O-CG 3.47Å; I684-Q688 PolarHBondContact O-N 2.88Å; Q688-V691 PolarHBondContact O-N 3.44Å; Q688-L692 WeakPolarHBondContact O-CB 3.14Å; Q688-L692 WeakPolarHBondContact O-CD1 3.4Å; Q688-L692 WeakPolarHBondContact O-CG 3.42Å; Q688-L692 PolarHBondContact O-N 2.79Å
689A48.5Very low48.8Very low18 Ų1870.3 Ų70.315%0.14935%0.347CS..Hα-helixtrans-63.4-41.4176.500000112.7Y685 Y686 H687 L692 I693Y685-A689 WeakPolarHBondContact O-CB 3.46Å; Y685-A689 PolarHBondContact O-N 3.38Å; Y686-A689 WeakPolarHBondContact O-CB 3.16Å; Y686-A689 PolarHBondContact O-N 3.43Å; H687-A689 VanDerWaalsContact C-N 3.28Å; H687-A689 PolarHBondContact O-N 3Å; A689-L692 PolarHBondContact O-N 2.97Å; A689-I693 WeakPolarHBondContact O-CB 3.03Å; A689-I693 VanDerWaalsContact O-CG1 3.24Å; A689-I693 WeakPolarHBondContact O-CG1 3.29Å; A689-I693 PolarHBondContact O-N 3.32Å
690V50.2Low48.6Very low34 Ų3471.3 Ų71.321%0.20635%0.348CS..Hα-helixtrans-65.4-44.2176.8171.70000111.4Y686 H687 L692 I693 H694Y686-V690 HydrophobicContact CD1-CG2 3.94Å; Y686-V690 HydrophobicContact CE1-CG2 3.58Å; Y686-V690 WeakPolarHBondContact O-CG2 3.32Å; Y686-V690 PolarHBondContact O-N 2.82Å; H687-V690 PolarHBondContact O-N 3.04Å; V690-L692 VanDerWaalsContact C-N 3.26Å; V690-L692 PolarHBondContact O-N 2.91Å; V690-I693 PolarHBondContact O-N 3.11Å; V690-H694 WeakPolarHBondContact O-CB 3.36Å; V690-H694 PolarHBondContact O-N 3.32Å; V690-H694 PolarHBondContact O-ND1 3.38Å
691V47.6Very low48.4Very low47 Ų4771.2 Ų71.229%0.28535%0.347SS..Hα-helixtrans-59.1-40.9175.5169.90000110.5H687 Q688 H694 F695H687-V691 WeakPolarHBondContact O-CB 3.48Å; H687-V691 VanDerWaalsContact O-CG2 3.26Å; H687-V691 WeakPolarHBondContact O-CG2 3.5Å; H687-V691 PolarHBondContact O-N 3.07Å; Q688-V691 PolarHBondContact O-N 3.44Å; V691-H694 PolarHBondContact O-N 3.46Å; V691-F695 WeakPolarHBondContact O-CB 3.34Å; V691-F695 PolarHBondContact O-N 2.92Å
692L49Very low48.2Very low56 Ų5669 Ų6929%0.29334%0.338SS..Hα-helixtrans-76.5-37.9-178.6-71.6159.1000112.8N14 Q688 A689 V690 H694 F695 L696N14-L692 HydrophobicContact CB-CD1 4.45Å; N14-L692 WeakPolarHBondContact OD1-CD1 3.23Å; Q688-L692 WeakPolarHBondContact O-CB 3.14Å; Q688-L692 WeakPolarHBondContact O-CD1 3.4Å; Q688-L692 WeakPolarHBondContact O-CG 3.42Å; Q688-L692 PolarHBondContact O-N 2.79Å; A689-L692 PolarHBondContact O-N 2.97Å; V690-L692 VanDerWaalsContact C-N 3.26Å; V690-L692 PolarHBondContact O-N 2.91Å; L692-H694 VanDerWaalsContact C-N 3.31Å; L692-F695 PolarHBondContact O-N 3.22Å; L692-L696 WeakPolarHBondContact O-CB 3.34Å; L692-L696 PolarHBondContact O-N 3.48Å
693I49.3Very low48.2Very low101 Ų10165.4 Ų65.452%0.51832%0.322SS..Hα-helixtrans-63.7-40.7170.9-70.5165.5000109.8A689 V690 L696 S697A689-I693 WeakPolarHBondContact O-CB 3.03Å; A689-I693 VanDerWaalsContact O-CG1 3.24Å; A689-I693 WeakPolarHBondContact O-CG1 3.29Å; A689-I693 PolarHBondContact O-N 3.32Å; V690-I693 PolarHBondContact O-N 3.11Å; I693-L696 PolarHBondContact O-N 3.16Å; I693-S697 WeakPolarHBondContact O-CB 3.48Å; I693-S697 PolarHBondContact O-N 3.43Å; I693-S697 PolarHBondContact O-OG 2.86Å; I693-S697 VanDerWaalsContact O-OG 3.12Å
694H46.7Very low47.6Very low93 Ų9366 Ų6643%0.43133%0.331SS..Hα-helixtrans-64.7-44.8174.9-83.568.5000111.3V690 V691 L692 S697 F698V690-H694 WeakPolarHBondContact O-CB 3.36Å; V690-H694 PolarHBondContact O-N 3.32Å; V690-H694 PolarHBondContact O-ND1 3.38Å; V691-H694 PolarHBondContact O-N 3.46Å; L692-H694 VanDerWaalsContact C-N 3.31Å; H694-S697 WeakPolarHBondContact CA-OG 3.46Å; H694-S697 PolarHBondContact O-N 2.85Å; H694-S697 PolarHBondContact O-OG 2.85Å; H694-F698 VanDerWaalsContact O-CB 3.25Å; H694-F698 WeakPolarHBondContact O-CB 3.36Å; H694-F698 PolarHBondContact O-N 2.98Å
695F48Very low47.1Very low45 Ų4565.8 Ų65.820%0.19733%0.327CS..Hα-helixtrans-59-48.3174.5-173.7-96.1000111.7F642 H649 V691 L692 F698 Q699F642-F695 HydrophobicContact CD1-CZ 4.04Å; F642-F695 HydrophobicContact CE1-CZ 4.03Å; H649-F695 AromaticContact CD2-CD2 3.45Å; H649-F695 VanDerWaalsContact CD2-CD2 3.45Å; H649-F695 WeakPolarHBondContact CD2-CD2 3Å; H649-F695 AromaticContact NE2-CD2 3.58Å; V691-F695 WeakPolarHBondContact O-CB 3.34Å; V691-F695 PolarHBondContact O-N 2.92Å; L692-F695 PolarHBondContact O-N 3.22Å; F695-F698 PolarHBondContact O-N 3.41Å; F695-Q699 HydrophobicContact CD1-CG 4.25Å; F695-Q699 HydrophobicContact CE1-CG 4Å; F695-Q699 HydrophobicContact CZ-CG 4.32Å; F695-Q699 VanDerWaalsContact O-CG 3.28Å; F695-Q699 WeakPolarHBondContact O-CG 3.46Å; F695-Q699 PolarHBondContact O-N 3.45Å
696L47.6Very low46.9Very low76 Ų7662.2 Ų62.240%0.39832%0.319SS..Hα-helixtrans-62.8-45.1176.2-93.7152.8000112.3L17 L692 I693 F698 Q699 L700L17-L696 HydrophobicContact CD1-CD1 4.21Å; L692-L696 WeakPolarHBondContact O-CB 3.34Å; L692-L696 PolarHBondContact O-N 3.48Å; I693-L696 PolarHBondContact O-N 3.16Å; L696-F698 VanDerWaalsContact C-N 3.31Å; L696-F698 PolarHBondContact O-N 3.01Å; L696-Q699 PolarHBondContact O-N 2.89Å; L696-L700 WeakPolarHBondContact O-CB 3.12Å; L696-L700 VanDerWaalsContact O-CG 3.28Å; L696-L700 WeakPolarHBondContact O-CG 3.34Å; L696-L700 PolarHBondContact O-N 3.31Å
697S47.6Very low46.4Very low44 Ų4456.4 Ų56.431%0.30830%0.297SS..Hα-helixtrans-63.8-38.6177.471.80000111.2I693 H694 L700 I701I693-S697 WeakPolarHBondContact O-CB 3.48Å; I693-S697 PolarHBondContact O-N 3.43Å; I693-S697 PolarHBondContact O-OG 2.86Å; I693-S697 VanDerWaalsContact O-OG 3.12Å; H694-S697 WeakPolarHBondContact CA-OG 3.46Å; H694-S697 PolarHBondContact O-N 2.85Å; H694-S697 PolarHBondContact O-OG 2.85Å; S697-L700 PolarHBondContact O-N 3.45Å; S697-I701 WeakPolarHBondContact O-CB 3.38Å; S697-I701 VanDerWaalsContact O-CD1 3.31Å; S697-I701 WeakPolarHBondContact O-CD1 3.32Å; S697-I701 WeakPolarHBondContact O-CG1 3.18Å; S697-I701 PolarHBondContact O-N 3.2Å
698F47.7Very low46.1Very low79 Ų7959 Ų5935%0.34631%0.305SS..Hα-helixtrans-68.8-44.4176.9-175.5-85.9000110.7L645 H694 F695 L696 L700 I701 S702L645-F698 HydrophobicContact CD1-CD1 4.22Å; L645-F698 HydrophobicContact CD1-CE1 3.73Å; L645-F698 HydrophobicContact CD2-CD1 3.83Å; L645-F698 HydrophobicContact CD2-CE1 3.09Å; L645-F698 HydrophobicContact CD2-CE2 4.48Å; L645-F698 HydrophobicContact CD2-CZ 3.49Å; L645-F698 VanDerWaalsContact CD2-CZ 3.49Å; L645-F698 HydrophobicContact CG-CE1 4.03Å; H694-F698 VanDerWaalsContact O-CB 3.25Å; H694-F698 WeakPolarHBondContact O-CB 3.36Å; H694-F698 PolarHBondContact O-N 2.98Å; F695-F698 PolarHBondContact O-N 3.41Å; L696-F698 VanDerWaalsContact C-N 3.31Å; L696-F698 PolarHBondContact O-N 3.01Å; F698-L700 VanDerWaalsContact C-N 3.29Å; F698-L700 PolarHBondContact O-N 2.86Å; F698-I701 CarbonylContact O-C 3.21Å; F698-I701 PolarHBondContact O-N 2.95Å; F698-I701 VanDerWaalsContact O-N 3.12Å; F698-S702 VanDerWaalsContact CE1-CB 3.44Å; F698-S702 VanDerWaalsContact O-CB 3.3Å; F698-S702 WeakPolarHBondContact O-CB 3.34Å; F698-S702 PolarHBondContact O-N 3.21Å; F698-S702 PolarHBondContact O-OG 3Å; F698-S702 VanDerWaalsContact O-OG 3.07Å
699Q45.3Very low45.8Very low26 Ų2657.8 Ų57.812%0.12130%0.301CS..Hα-helixtrans-56.9-46.2172.2-68.7-64.7-2800110.3F695 L696 I701 L703F695-Q699 HydrophobicContact CD1-CG 4.25Å; F695-Q699 HydrophobicContact CE1-CG 4Å; F695-Q699 HydrophobicContact CZ-CG 4.32Å; F695-Q699 VanDerWaalsContact O-CG 3.28Å; F695-Q699 WeakPolarHBondContact O-CG 3.46Å; F695-Q699 PolarHBondContact O-N 3.45Å; L696-Q699 PolarHBondContact O-N 2.89Å; Q699-I701 VanDerWaalsContact C-N 3.29Å; Q699-I701 PolarHBondContact O-N 3.41Å; Q699-L703 VanDerWaalsContact O-CB 3.29Å; Q699-L703 WeakPolarHBondContact O-CB 3.12Å; Q699-L703 WeakPolarHBondContact O-CD1 3.45Å; Q699-L703 WeakPolarHBondContact O-CG 3.34Å; Q699-L703 PolarHBondContact O-N 2.8Å
700L45.8Very low45.6Very low75 Ų7560 Ų6039%0.39331%0.309SS..Hα-helixtrans-63.4-30.2177.2-73.5164.8000113.8L696 S697 F698 P704 L746L696-L700 WeakPolarHBondContact O-CB 3.12Å; L696-L700 VanDerWaalsContact O-CG 3.28Å; L696-L700 WeakPolarHBondContact O-CG 3.34Å; L696-L700 PolarHBondContact O-N 3.31Å; S697-L700 PolarHBondContact O-N 3.45Å; F698-L700 VanDerWaalsContact C-N 3.29Å; F698-L700 PolarHBondContact O-N 2.86Å; L700-P704 WeakPolarHBondContact O-CD 3.5Å; L700-P704 WeakPolarHBondContact O-CG 3.24Å; L700-L746 HydrophobicContact CD2-CD2 4.36Å
701I43.1Very low45.1Very low77 Ų7759.5 Ų59.540%0.39531%0.305SS..Hα-helixtrans-87.2-42.8179.8-68.3162.2000111.7S697 F698 Q699 L703 P704 F705S697-I701 WeakPolarHBondContact O-CB 3.38Å; S697-I701 VanDerWaalsContact O-CD1 3.31Å; S697-I701 WeakPolarHBondContact O-CD1 3.32Å; S697-I701 WeakPolarHBondContact O-CG1 3.18Å; S697-I701 PolarHBondContact O-N 3.2Å; F698-I701 CarbonylContact O-C 3.21Å; F698-I701 PolarHBondContact O-N 2.95Å; F698-I701 VanDerWaalsContact O-N 3.12Å; Q699-I701 VanDerWaalsContact C-N 3.29Å; Q699-I701 PolarHBondContact O-N 3.41Å; I701-L703 VanDerWaalsContact C-N 3.35Å; I701-L703 PolarHBondContact O-N 2.77Å; I701-P704 VanDerWaalsContact O-CD 3.25Å; I701-P704 WeakPolarHBondContact O-CD 3.49Å; I701-P704 WeakPolarHBondContact O-CG 3.16Å; I701-F705 HydrophobicContact CG2-CD2 3.97Å; I701-F705 HydrophobicContact CG2-CE2 4.19Å; I701-F705 WeakPolarHBondContact O-CB 3.22Å; I701-F705 VanDerWaalsContact O-CD2 3.24Å; I701-F705 WeakPolarHBondContact O-CD2 3.36Å; I701-F705 PolarHBondContact O-N 3.18Å
702S44.8Very low44.7Very low26 Ų2661.5 Ų61.518%0.18231%0.31CS..Hα-helixtrans-72.3-29.9-175.769.80000112.4F698 F705 S706F698-S702 VanDerWaalsContact CE1-CB 3.44Å; F698-S702 VanDerWaalsContact O-CB 3.3Å; F698-S702 WeakPolarHBondContact O-CB 3.34Å; F698-S702 PolarHBondContact O-N 3.21Å; F698-S702 PolarHBondContact O-OG 3Å; F698-S702 VanDerWaalsContact O-OG 3.07Å; S702-F705 PolarHBondContact O-N 3.3Å; S702-S706 WeakPolarHBondContact O-CB 3.43Å; S702-S706 PolarHBondContact O-N 3.3Å; S702-S706 PolarHBondContact O-OG 2.97Å
703L45Very low44.2Very low29 Ų2965.9 Ų65.915%0.15233%0.329CS..Hα-helixtrans-61.8-48.6179.1-72.5170.4000113.5L634 Q699 I701 S706L634-L703 HydrophobicContact CD1-CD1 4.24Å; L634-L703 HydrophobicContact CD1-CD2 4.48Å; L634-L703 HydrophobicContact CD2-CD2 3.49Å; L634-L703 VanDerWaalsContact CD2-CD2 3.49Å; Q699-L703 VanDerWaalsContact O-CB 3.29Å; Q699-L703 WeakPolarHBondContact O-CB 3.12Å; Q699-L703 WeakPolarHBondContact O-CD1 3.45Å; Q699-L703 WeakPolarHBondContact O-CG 3.34Å; Q699-L703 PolarHBondContact O-N 2.8Å; I701-L703 VanDerWaalsContact C-N 3.35Å; I701-L703 PolarHBondContact O-N 2.77Å; L703-S706 PolarHBondContact O-OG 2.93Å; L703-S706 VanDerWaalsContact O-OG 3.13Å
704P38.8Very low43.7Very low66 Ų6663.5 Ų63.543%0.42932%0.32SS..Hα-helixtrans-72.5-28.8171.725.4-32.3000112.5L700 I701 W708L700-P704 WeakPolarHBondContact O-CD 3.5Å; L700-P704 WeakPolarHBondContact O-CG 3.24Å; I701-P704 VanDerWaalsContact O-CD 3.25Å; I701-P704 WeakPolarHBondContact O-CD 3.49Å; I701-P704 WeakPolarHBondContact O-CG 3.16Å; P704-W708 VanDerWaalsContact O-CB 3.26Å; P704-W708 WeakPolarHBondContact O-CB 3.46Å; P704-W708 PolarHBondContact O-N 3.36Å
705F42.5Very low43.2Very low87 Ų8761.8 Ų61.838%0.38233%0.327SS..Hα-helixtrans-74.4-36.6-179.2-96.4-94.3000113.7I701 S702 E707 W708 I709I701-F705 HydrophobicContact CG2-CD2 3.97Å; I701-F705 HydrophobicContact CG2-CE2 4.19Å; I701-F705 WeakPolarHBondContact O-CB 3.22Å; I701-F705 VanDerWaalsContact O-CD2 3.24Å; I701-F705 WeakPolarHBondContact O-CD2 3.36Å; I701-F705 PolarHBondContact O-N 3.18Å; S702-F705 PolarHBondContact O-N 3.3Å; F705-E707 VanDerWaalsContact C-N 3.34Å; F705-W708 WeakPolarHBondContact O-CB 3.32Å; F705-W708 PolarHBondContact O-N 3.03Å; F705-I709 WeakPolarHBondContact O-CB 3.49Å; F705-I709 WeakPolarHBondContact O-CD1 3.5Å; F705-I709 WeakPolarHBondContact O-CG1 3.45Å; F705-I709 PolarHBondContact O-N 2.94Å
706S44.4Very low42.7Very low40 Ų4060.8 Ų60.828%0.2832%0.323SS..Hα-helixtrans-63.5-43.7173.858.10000110.6S702 L703 W708 I709 E710S702-S706 WeakPolarHBondContact O-CB 3.43Å; S702-S706 PolarHBondContact O-N 3.3Å; S702-S706 PolarHBondContact O-OG 2.97Å; L703-S706 PolarHBondContact O-OG 2.93Å; L703-S706 VanDerWaalsContact O-OG 3.13Å; S706-W708 VanDerWaalsContact C-N 3.35Å; S706-I709 PolarHBondContact O-N 2.93Å; S706-E710 WeakPolarHBondContact O-CB 3.43Å; S706-E710 PolarHBondContact O-N 2.7Å
707E43.3Very low42.2Very low30 Ų3059.3 Ų59.314%0.1432%0.316CS..Hα-helixtrans-62.4-41.8173.1-171.7179.4159.500111.2S540 S542 F705 I709 E710 L711 R720S540-E707 WeakPolarHBondContact CB-OE1 3.28Å; S540-E707 PolarHBondContact OG-OE1 3.42Å; S540-E707 PolarHBondContact OG-OE2 3.09Å; S542-E707 PolarHBondContact OG-OE2 3.2Å; F705-E707 VanDerWaalsContact C-N 3.34Å; E707-I709 VanDerWaalsContact C-N 3.35Å; E707-I709 PolarHBondContact O-N 3.17Å; E707-E710 PolarHBondContact O-N 3.43Å; E707-L711 HydrophobicContact CG-CD1 3.92Å; E707-L711 HydrophobicContact CG-CG 4.35Å; E707-L711 VanDerWaalsContact O-CB 3.26Å; E707-L711 WeakPolarHBondContact O-CB 3.44Å; E707-L711 WeakPolarHBondContact O-CG 3.21Å; E707-L711 PolarHBondContact O-N 3.36Å; E707-R720 IonicContact OE1-NH1 3.55Å; E707-R720 PolarHBondContact OE1-NH1 2.99Å
708W44.2Very low41.4Very low92 Ų9259.4 Ų59.435%0.34832%0.323SS..Hα-helixtrans-62.2-40.5175.4-170.194000112.3P704 F705 S706 H712 L717 S797P704-W708 VanDerWaalsContact O-CB 3.26Å; P704-W708 WeakPolarHBondContact O-CB 3.46Å; P704-W708 PolarHBondContact O-N 3.36Å; F705-W708 WeakPolarHBondContact O-CB 3.32Å; F705-W708 PolarHBondContact O-N 3.03Å; S706-W708 VanDerWaalsContact C-N 3.35Å; W708-H712 AromaticContact CH2-CD2 3.66Å; W708-H712 AromaticContact CZ3-CD2 3.84Å; W708-H712 VanDerWaalsContact O-CB 3.3Å; W708-H712 WeakPolarHBondContact O-CB 3.37Å; W708-H712 PolarHBondContact O-N 2.78Å; W708-L717 VanDerWaalsContact CD1-CD1 3.41Å; W708-L717 HydrophobicContact CD2-CD1 4.23Å; W708-L717 HydrophobicContact CD2-CD2 4.49Å; W708-L717 HydrophobicContact CG-CD1 3.89Å; W708-L717 HydrophobicContact CH2-CD2 4.48Å; W708-L717 HydrophobicContact CZ2-CD2 3.56Å; W708-S797 VanDerWaalsContact CH2-CB 3.41Å
709I43.1Very low40.8Very low73 Ų7359.5 Ų59.537%0.37433%0.327SS..Hα-helixtrans-67-45.1176.1-70.1163.7000110.4F705 S706 E707 H712 Q713F705-I709 WeakPolarHBondContact O-CB 3.49Å; F705-I709 WeakPolarHBondContact O-CD1 3.5Å; F705-I709 WeakPolarHBondContact O-CG1 3.45Å; F705-I709 PolarHBondContact O-N 2.94Å; S706-I709 PolarHBondContact O-N 2.93Å; E707-I709 VanDerWaalsContact C-N 3.35Å; E707-I709 PolarHBondContact O-N 3.17Å; I709-H712 PolarHBondContact O-N 3.07Å; I709-Q713 HydrophobicContact CG2-CG 4.3Å; I709-Q713 WeakPolarHBondContact O-CB 3.38Å; I709-Q713 WeakPolarHBondContact O-CG 3.37Å; I709-Q713 PolarHBondContact O-N 2.05Å
710E43Very low40.3Very low65 Ų6562.3 Ų62.330%0.30434%0.336SS..Hα-helixtrans-63.3-44.2177.4-169.6-180169.400111S541 S706 E707 H712 Q713 T714S541-E710 PolarHBondContact OG-OE1 2.89Å; S541-E710 PolarHBondContact OG-OE2 2.93Å; S706-E710 WeakPolarHBondContact O-CB 3.43Å; S706-E710 PolarHBondContact O-N 2.7Å; E707-E710 PolarHBondContact O-N 3.43Å; E710-H712 VanDerWaalsContact C-N 3.27Å; E710-H712 PolarHBondContact O-N 3.4Å; E710-Q713 PolarHBondContact O-N 3.49Å; E710-T714 WeakPolarHBondContact O-CB 3.38Å; E710-T714 VanDerWaalsContact O-CG2 3.29Å; E710-T714 WeakPolarHBondContact O-CG2 3.32Å; E710-T714 PolarHBondContact O-N 2.99Å; E710-T714 PolarHBondContact O-OG1 2.75Å
711L41.3Very low39.9Very low23 Ų2363.9 Ų63.912%0.1234%0.344CS..Hα-helixtrans-63.9-30.6173.8-71.5169.9000112.5E707 T714 G715 Q716 L717E707-L711 HydrophobicContact CG-CD1 3.92Å; E707-L711 HydrophobicContact CG-CG 4.35Å; E707-L711 VanDerWaalsContact O-CB 3.26Å; E707-L711 WeakPolarHBondContact O-CB 3.44Å; E707-L711 WeakPolarHBondContact O-CG 3.21Å; E707-L711 PolarHBondContact O-N 3.36Å; L711-T714 WeakPolarHBondContact CA-OG1 3.28Å; L711-T714 PolarHBondContact O-OG1 2.84Å; L711-G715 CarbonylContact O-C 3.21Å; L711-G715 PolarHBondContact O-N 3.32Å; L711-Q716 HydrophobicContact CD2-CB 3.81Å; L711-Q716 WeakPolarHBondContact O-CA 3.47Å; L711-Q716 PolarHBondContact O-N 3.45Å; L711-L717 HydrophobicContact CB-CD1 3.93Å; L711-L717 PolarHBondContact O-N 3.44Å
712H39Very low39.4Very low88 Ų8864.1 Ų64.141%0.40735%0.346SS..Hα-helixtrans-76-44.3173.6-170.9-25.3000111.5W708 I709 E710 T714 G715W708-H712 AromaticContact CH2-CD2 3.66Å; W708-H712 AromaticContact CZ3-CD2 3.84Å; W708-H712 VanDerWaalsContact O-CB 3.3Å; W708-H712 WeakPolarHBondContact O-CB 3.37Å; W708-H712 PolarHBondContact O-N 2.78Å; I709-H712 PolarHBondContact O-N 3.07Å; E710-H712 VanDerWaalsContact C-N 3.27Å; E710-H712 PolarHBondContact O-N 3.4Å; H712-T714 VanDerWaalsContact C-N 3.26Å; H712-T714 PolarHBondContact O-N 3.26Å; H712-G715 PolarHBondContact O-N 3.16Å
713Q36.9Very low38.9Very low148 Ų14866.5 Ų66.569%0.69236%0.356SS*.Hα-helixtrans-61.9-36.3178.1-76.8177.8-8.300111.6I709 E710 G715I709-Q713 HydrophobicContact CG2-CG 4.3Å; I709-Q713 WeakPolarHBondContact O-CB 3.38Å; I709-Q713 WeakPolarHBondContact O-CG 3.37Å; I709-Q713 PolarHBondContact O-N 2.05Å; E710-Q713 PolarHBondContact O-N 3.49Å; Q713-G715 VanDerWaalsContact C-N 3.31Å
714T40.6Very low38.6Very low52 Ų5268.1 Ų68.132%0.31937%0.368SS..THydrogen-bonded Turntrans-82.7-1.8175.656.40000113.8E710 L711 H712 Q716E710-T714 WeakPolarHBondContact O-CB 3.38Å; E710-T714 VanDerWaalsContact O-CG2 3.29Å; E710-T714 WeakPolarHBondContact O-CG2 3.32Å; E710-T714 PolarHBondContact O-N 2.99Å; E710-T714 PolarHBondContact O-OG1 2.75Å; L711-T714 WeakPolarHBondContact CA-OG1 3.28Å; L711-T714 PolarHBondContact O-OG1 2.84Å; H712-T714 VanDerWaalsContact C-N 3.26Å; H712-T714 PolarHBondContact O-N 3.26Å; T714-Q716 PolarHBondContact O-N 3.26Å; T714-Q716 VanDerWaalsContact OG1-CD 3.25Å; T714-Q716 VanDerWaalsContact OG1-CG 3.3Å; T714-Q716 WeakPolarHBondContact OG1-CG 3.15Å
715G34.5Very low38.4Very low57 Ų5770.1 Ų70.159%0.58837%0.374SS*.THydrogen-bonded Turntrans72.110.3-178.800000115.3L711 H712 Q713L711-G715 CarbonylContact O-C 3.21Å; L711-G715 PolarHBondContact O-N 3.32Å; H712-G715 PolarHBondContact O-N 3.16Å; Q713-G715 VanDerWaalsContact C-N 3.31Å
716Q38.7Very low37.9Very low23 Ų2371.5 Ų71.511%0.10738%0.382CS..  trans-85.9-14.9-172.2-62.4178.312.400114.4I596 L711 T714 G718 L719 R720I596-Q716 PolarHBondContact O-NE2 3.05Å; I596-Q716 PolarHBondContact O-OE1 3.28Å; L711-Q716 HydrophobicContact CD2-CB 3.81Å; L711-Q716 WeakPolarHBondContact O-CA 3.47Å; L711-Q716 PolarHBondContact O-N 3.45Å; T714-Q716 PolarHBondContact O-N 3.26Å; T714-Q716 VanDerWaalsContact OG1-CD 3.25Å; T714-Q716 VanDerWaalsContact OG1-CG 3.3Å; T714-Q716 WeakPolarHBondContact OG1-CG 3.15Å; Q716-G718 PolarHBondContact O-N 3.43Å; Q716-L719 PolarHBondContact O-N 3.24Å; Q716-R720 PolarHBondContact O-N 3.17Å
717L37Very low37.4Very low46 Ų4670.9 Ų70.924%0.24138%0.377CS..Hα-helixtrans-60.4-42.4-175.5-158.488.1000112.9W708 L711 L719 L721W708-L717 VanDerWaalsContact CD1-CD1 3.41Å; W708-L717 HydrophobicContact CD2-CD1 4.23Å; W708-L717 HydrophobicContact CD2-CD2 4.49Å; W708-L717 HydrophobicContact CG-CD1 3.89Å; W708-L717 HydrophobicContact CH2-CD2 4.48Å; W708-L717 HydrophobicContact CZ2-CD2 3.56Å; L711-L717 HydrophobicContact CB-CD1 3.93Å; L711-L717 PolarHBondContact O-N 3.44Å; L717-L719 PolarHBondContact O-N 2.95Å; L717-L721 PolarHBondContact O-N 3.11Å
718G31.4Very low37Very low45 Ų4574.3 Ų74.346%0.46440%0.396SS..Hα-helixtrans-65.8-37.9-177.200000113.5Q716 I722Q716-G718 PolarHBondContact O-N 3.43Å; G718-I722 WeakPolarHBondContact O-CD1 3.47Å; G718-I722 VanDerWaalsContact O-CG1 3.29Å; G718-I722 WeakPolarHBondContact O-CG1 3.29Å; G718-I722 PolarHBondContact O-N 3Å; G718-I722 VanDerWaalsContact O-N 3.12Å
719L34.2Very low36.6Very low82 Ų8274.1 Ų74.143%0.42941%0.409SS..Hα-helixtrans-75.2-37.6-178.7-76162.2000112.5F598 Q716 L717 L721 I722 N723F598-L719 HydrophobicContact CB-CD1 4.26Å; Q716-L719 PolarHBondContact O-N 3.24Å; L717-L719 PolarHBondContact O-N 2.95Å; L719-L721 VanDerWaalsContact C-N 3.29Å; L719-L721 PolarHBondContact O-N 3.29Å; L719-I722 PolarHBondContact O-N 2.94Å; L719-N723 PolarHBondContact O-N 2.84Å
720R35Very low36.4Very low85 Ų8577.5 Ų77.532%0.32143%0.426SS..Hα-helixtrans-65.6-36.1175.6-143.4176.4-172.4-174.41.4110.7E707 Q716 N723 T724E707-R720 IonicContact OE1-NH1 3.55Å; E707-R720 PolarHBondContact OE1-NH1 2.99Å; Q716-R720 PolarHBondContact O-N 3.17Å; R720-N723 PolarHBondContact O-N 3.41Å; R720-T724 WeakPolarHBondContact O-CB 3.02Å; R720-T724 WeakPolarHBondContact O-CG2 3.46Å; R720-T724 PolarHBondContact O-N 2.93Å; R720-T724 PolarHBondContact O-OG1 3.09Å
721L36.4Very low35.8Very low107 Ų10779 Ų7956%0.5644%0.436SS*.Hα-helixtrans-65.9-41.6173.7-150.9103000111.9L717 L719 T724 L725L717-L721 PolarHBondContact O-N 3.11Å; L719-L721 VanDerWaalsContact C-N 3.29Å; L719-L721 PolarHBondContact O-N 3.29Å; L721-T724 WeakPolarHBondContact CA-OG1 3.34Å; L721-T724 PolarHBondContact O-OG1 3.28Å; L721-L725 HydrophobicContact CD2-CD1 3.86Å; L721-L725 HydrophobicContact CG-CD1 4.17Å; L721-L725 VanDerWaalsContact O-CB 3.23Å; L721-L725 WeakPolarHBondContact O-CB 3.15Å; L721-L725 VanDerWaalsContact O-CD1 3.32Å; L721-L725 WeakPolarHBondContact O-CD1 3.38Å; L721-L725 WeakPolarHBondContact O-CG 3.42Å; L721-L725 PolarHBondContact O-N 3.49Å
722I33.2Very low35.5Very low83 Ų8384.2 Ų84.243%0.42646%0.463SS..Hα-helixtrans-65-43.2176.4-68.8162.5000110.8G718 L719 L725 Q726G718-I722 WeakPolarHBondContact O-CD1 3.47Å; G718-I722 VanDerWaalsContact O-CG1 3.29Å; G718-I722 WeakPolarHBondContact O-CG1 3.29Å; G718-I722 PolarHBondContact O-N 3Å; G718-I722 VanDerWaalsContact O-N 3.12Å; L719-I722 PolarHBondContact O-N 2.94Å; I722-L725 CarbonylContact O-C 3.55Å; I722-L725 PolarHBondContact O-N 3.08Å; I722-Q726 HydrophobicContact CG2-CG 4.2Å; I722-Q726 VanDerWaalsContact O-CB 3.27Å; I722-Q726 WeakPolarHBondContact O-CB 3.34Å; I722-Q726 VanDerWaalsContact O-CG 3.28Å; I722-Q726 WeakPolarHBondContact O-CG 3.29Å; I722-Q726 PolarHBondContact O-N 3.28Å
723N33.6Very low35.2Very low75 Ų7587.1 Ų87.140%0.40148%0.475SS..Hα-helixtrans-72-35.8179.1-77.7-9000113L719 R720 L725 Q726 S727L719-N723 PolarHBondContact O-N 2.84Å; R720-N723 PolarHBondContact O-N 3.41Å; N723-L725 VanDerWaalsContact C-N 3.31Å; N723-Q726 PolarHBondContact O-N 2.77Å; N723-S727 WeakPolarHBondContact O-CB 3.37Å; N723-S727 PolarHBondContact O-N 3.46Å; N723-S727 PolarHBondContact O-OG 3.19Å
724T38.6Very low35.2Very low64 Ų6484.8 Ų84.839%0.39347%0.471SS..Hα-helixtrans-66.8-35.8171.850.70000111.3R720 L721 S727 L728R720-T724 WeakPolarHBondContact O-CB 3.02Å; R720-T724 WeakPolarHBondContact O-CG2 3.46Å; R720-T724 PolarHBondContact O-N 2.93Å; R720-T724 PolarHBondContact O-OG1 3.09Å; L721-T724 WeakPolarHBondContact CA-OG1 3.34Å; L721-T724 PolarHBondContact O-OG1 3.28Å; T724-S727 PolarHBondContact O-OG 3.37Å; T724-L728 VanDerWaalsContact O-CD1 3.29Å; T724-L728 WeakPolarHBondContact O-CD1 3.33Å; T724-L728 VanDerWaalsContact O-CG 3.23Å; T724-L728 WeakPolarHBondContact O-CG 3.47Å; T724-L728 PolarHBondContact O-N 3.25Å
725L35.2Very low35.1Very low108 Ų10886.8 Ų86.857%0.56548%0.48SS*.Hα-helixtrans-72.1-35.4173.9-71.4167.2000113L721 I722 N723 L728L721-L725 HydrophobicContact CD2-CD1 3.86Å; L721-L725 HydrophobicContact CG-CD1 4.17Å; L721-L725 VanDerWaalsContact O-CB 3.23Å; L721-L725 WeakPolarHBondContact O-CB 3.15Å; L721-L725 VanDerWaalsContact O-CD1 3.32Å; L721-L725 WeakPolarHBondContact O-CD1 3.38Å; L721-L725 WeakPolarHBondContact O-CG 3.42Å; L721-L725 PolarHBondContact O-N 3.49Å; I722-L725 CarbonylContact O-C 3.55Å; I722-L725 PolarHBondContact O-N 3.08Å; N723-L725 VanDerWaalsContact C-N 3.31Å; L725-L728 HydrophobicContact CD2-CD1 4.48Å
726Q31.8Very low35.3Very low116 Ų11688 Ų8854%0.54247%0.467SS..Hα-helixtrans-77.4-36.7177.1-77.4179.3-10.400112.1I722 N723 L728 S729I722-Q726 HydrophobicContact CG2-CG 4.2Å; I722-Q726 VanDerWaalsContact O-CB 3.27Å; I722-Q726 WeakPolarHBondContact O-CB 3.34Å; I722-Q726 VanDerWaalsContact O-CG 3.28Å; I722-Q726 WeakPolarHBondContact O-CG 3.29Å; I722-Q726 PolarHBondContact O-N 3.28Å; N723-Q726 PolarHBondContact O-N 2.77Å; Q726-L728 VanDerWaalsContact C-N 3.28Å; Q726-L728 PolarHBondContact O-N 2.95Å; Q726-S729 WeakPolarHBondContact O-CB 3.43Å; Q726-S729 PolarHBondContact O-N 2.89Å; Q726-S729 PolarHBondContact O-OG 3.28Å
727S35.4Very low35.2Very low26 Ų2690.7 Ų90.718%0.18248%0.482CS..Hα-helixtrans-68.9-27.317773.90000112.7N723 T724 S729 I730 Y736N723-S727 WeakPolarHBondContact O-CB 3.37Å; N723-S727 PolarHBondContact O-N 3.46Å; N723-S727 PolarHBondContact O-OG 3.19Å; T724-S727 PolarHBondContact O-OG 3.37Å; S727-S729 PolarHBondContact O-N 3.26Å; S727-I730 PolarHBondContact O-N 2.91Å; S727-Y736 PolarHBondContact OG-OH 3.34Å; S727-Y736 VanDerWaalsContact OG-OH 3.06Å
728L33.5Very low35.2Very low102 Ų10292.5 Ų92.553%0.53449%0.489SS..THydrogen-bonded Turntrans-60.2-19.8168.7-81.6163.4000113.2T724 L725 Q726T724-L728 VanDerWaalsContact O-CD1 3.29Å; T724-L728 WeakPolarHBondContact O-CD1 3.33Å; T724-L728 VanDerWaalsContact O-CG 3.23Å; T724-L728 WeakPolarHBondContact O-CG 3.47Å; T724-L728 PolarHBondContact O-N 3.25Å; L725-L728 HydrophobicContact CD2-CD1 4.48Å; Q726-L728 VanDerWaalsContact C-N 3.28Å; Q726-L728 PolarHBondContact O-N 2.95Å
729S36.7Very low35.6Very low88 Ų8893.4 Ų93.462%0.61548%0.482SS*.THydrogen-bonded Turntrans-90.1-19.6-176.572.40000115.1Q726 S727Q726-S729 WeakPolarHBondContact O-CB 3.43Å; Q726-S729 PolarHBondContact O-N 2.89Å; Q726-S729 PolarHBondContact O-OG 3.28Å; S727-S729 PolarHBondContact O-N 3.26Å
730I38.8Very low35.8Very low144 Ų14492.9 Ų92.974%0.73848%0.479SS*.THydrogen-bonded Turntrans-125.6-14.8-165.9-68168000115.4S727S727-I730 PolarHBondContact O-N 2.91Å
731I29.5Very low35.8Very low98 Ų9893 Ų9350%0.50349%0.485SS..SBendtrans-123.6133.1-170.8-58.7175.3000113.2F733I731-F733 PolarHBondContact O-N 2.94Å
732N35.4Very low35.9Very low132 Ų13289.8 Ų89.871%0.70647%0.469SS*.  trans-29.5114.5175.5-80.5-26000113.5T734 N735N732-T734 PolarHBondContact O-N 3.16Å; N732-N735 PolarHBondContact O-N 2.96Å
733F33.4Very low36.2Very low149 Ų14990.4 Ų90.465%0.65447%0.47SS*.Hα-helixtrans-48.9-20.6-176.6-113.4-95.5000115.4I731 I737I731-F733 PolarHBondContact O-N 2.94Å; F733-I737 HydrophobicContact CD1-CD1 3.84Å; F733-I737 HydrophobicContact CD1-CG1 4.2Å; F733-I737 WeakPolarHBondContact O-CB 3.46Å; F733-I737 VanDerWaalsContact O-CG1 3.24Å; F733-I737 WeakPolarHBondContact O-CG1 3.48Å; F733-I737 PolarHBondContact O-N 2.9Å; F733-I737 VanDerWaalsContact O-N 3.07Å
734T37.3Very low36.1Very low99 Ų9989.9 Ų89.961%0.60747%0.467SS*.Hα-helixtrans-70.9-44.4-174.446.60000114N732 Q738N732-T734 PolarHBondContact O-N 3.16Å; T734-Q738 PolarHBondContact O-N 3.28Å
735N37.7Very low36Very low93 Ų9391.3 Ų91.350%0.49748%0.477SS..Hα-helixtrans-70-36.2-178.6-78.21.2000111.9N732 Q738 I739N732-N735 PolarHBondContact O-N 2.96Å; N735-Q738 PolarHBondContact O-N 3.48Å; N735-I739 WeakPolarHBondContact O-CG1 3.46Å; N735-I739 PolarHBondContact O-N 3.18Å; N735-I739 VanDerWaalsContact O-N 3.1Å
736Y38.2Very low36.1Very low83 Ų8390 Ų9033%0.32547%0.471SS..Hα-helixtrans-76.2-36.9178.7-105-82.2000113S727 Q738 I739 I740S727-Y736 PolarHBondContact OG-OH 3.34Å; S727-Y736 VanDerWaalsContact OG-OH 3.06Å; Y736-Q738 PolarHBondContact O-N 2.93Å; Y736-I739 PolarHBondContact O-N 3.38Å; Y736-I740 VanDerWaalsContact O-CB 3.3Å; Y736-I740 WeakPolarHBondContact O-CB 3.49Å; Y736-I740 VanDerWaalsContact O-CG1 3.27Å; Y736-I740 WeakPolarHBondContact O-CG1 3.45Å; Y736-I740 PolarHBondContact O-N 3.46Å
737I36.4Very low36.2Very low80 Ų8087 Ų8741%0.4146%0.458SS..Hα-helixtrans-57.2-37.7169.3-76.7170.2000109.7F733 I740 L741F733-I737 HydrophobicContact CD1-CD1 3.84Å; F733-I737 HydrophobicContact CD1-CG1 4.2Å; F733-I737 WeakPolarHBondContact O-CB 3.46Å; F733-I737 VanDerWaalsContact O-CG1 3.24Å; F733-I737 WeakPolarHBondContact O-CG1 3.48Å; F733-I737 PolarHBondContact O-N 2.9Å; F733-I737 VanDerWaalsContact O-N 3.07Å; I737-I740 CarbonylContact O-C 3.57Å; I737-I740 PolarHBondContact O-N 3.34Å; I737-L741 HydrophobicContact CG2-CD1 3.54Å; I737-L741 HydrophobicContact CG2-CG 4Å; I737-L741 WeakPolarHBondContact O-CA 3.35Å; I737-L741 WeakPolarHBondContact O-CB 3.43Å; I737-L741 WeakPolarHBondContact O-CG 3.26Å; I737-L741 PolarHBondContact O-N 3.45Å
738Q37.6Very low36.1Very low84 Ų8491 Ų9139%0.39348%0.476SS..Hα-helixtrans-69.9-39.4178.9-156.2156.63.300112.5T734 N735 Y736 L741 N742T734-Q738 PolarHBondContact O-N 3.28Å; N735-Q738 PolarHBondContact O-N 3.48Å; Y736-Q738 PolarHBondContact O-N 2.93Å; Q738-L741 PolarHBondContact O-N 3.03Å; Q738-N742 WeakPolarHBondContact O-CB 3.42Å; Q738-N742 PolarHBondContact O-N 2.93Å; Q738-N742 PolarHBondContact O-OD1 2.85Å
739I40.3Very low36.3Very low63 Ų6390.4 Ų90.432%0.32347%0.472SS..Hα-helixtrans-64-44.6171.7-66.1165000110.9N735 Y736 L741 N742 H743N735-I739 WeakPolarHBondContact O-CG1 3.46Å; N735-I739 PolarHBondContact O-N 3.18Å; N735-I739 VanDerWaalsContact O-N 3.1Å; Y736-I739 PolarHBondContact O-N 3.38Å; I739-L741 VanDerWaalsContact C-N 3.29Å; I739-L741 PolarHBondContact O-N 3.28Å; I739-N742 WeakPolarHBondContact O-CB 3.39Å; I739-N742 PolarHBondContact O-N 3.09Å; I739-H743 PolarHBondContact O-CD2 3.03Å; I739-H743 PolarHBondContact O-N 2.81Å
740I37.1Very low36.3Very low71 Ų7189 Ų8936%0.36446%0.462SS..Hα-helixtrans-62.6-37174.5-73.3166.5000111Y736 I737 H743 L744 L747Y736-I740 VanDerWaalsContact O-CB 3.3Å; Y736-I740 WeakPolarHBondContact O-CB 3.49Å; Y736-I740 VanDerWaalsContact O-CG1 3.27Å; Y736-I740 WeakPolarHBondContact O-CG1 3.45Å; Y736-I740 PolarHBondContact O-N 3.46Å; I737-I740 CarbonylContact O-C 3.57Å; I737-I740 PolarHBondContact O-N 3.34Å; I740-H743 CarbonylContact O-C 3.2Å; I740-H743 WeakPolarHBondContact O-CA 3.46Å; I740-H743 PolarHBondContact O-N 3.49Å; I740-L744 WeakPolarHBondContact O-CA 3.36Å; I740-L744 PolarHBondContact O-N 2.92Å; I740-L747 HydrophobicContact CB-CD1 4.39Å; I740-L747 HydrophobicContact CG1-CD1 4.42Å; I740-L747 HydrophobicContact CG2-CD1 3.79Å
741L36.4Very low35.9Very low87 Ų8786 Ų8646%0.45545%0.447SS..Hα-helixtrans-70.3-38.2176.2-79.8170.1000111.5I737 Q738 I739 H743 L744I737-L741 HydrophobicContact CG2-CD1 3.54Å; I737-L741 HydrophobicContact CG2-CG 4Å; I737-L741 WeakPolarHBondContact O-CA 3.35Å; I737-L741 WeakPolarHBondContact O-CB 3.43Å; I737-L741 WeakPolarHBondContact O-CG 3.26Å; I737-L741 PolarHBondContact O-N 3.45Å; Q738-L741 PolarHBondContact O-N 3.03Å; I739-L741 VanDerWaalsContact C-N 3.29Å; I739-L741 PolarHBondContact O-N 3.28Å; L741-H743 PolarHBondContact O-N 2.85Å; L741-L744 HydrophobicContact CD2-CB 4.49Å; L741-L744 HydrophobicContact CD2-CD1 4.19Å; L741-L744 HydrophobicContact CD2-CD2 3.86Å; L741-L744 HydrophobicContact CD2-CG 4.4Å; L741-L744 WeakPolarHBondContact O-CB 3.38Å; L741-L744 PolarHBondContact O-N 3.01Å
742N38.6Very low36.1Very low41 Ų4184.3 Ų84.322%0.21944%0.442CS..Hα-helixtrans-62.7-32.9171.4-64.1-3.4000110.9S505 I507 Q738 I739S505-N742 PolarHBondContact O-ND2 2.87Å; I507-N742 WeakPolarHBondContact CD1-OD1 3.33Å; I507-N742 HydrophobicContact CG1-CB 4.4Å; I507-N742 WeakPolarHBondContact CG1-OD1 3.2Å; Q738-N742 WeakPolarHBondContact O-CB 3.42Å; Q738-N742 PolarHBondContact O-N 2.93Å; Q738-N742 PolarHBondContact O-OD1 2.85Å; I739-N742 WeakPolarHBondContact O-CB 3.39Å; I739-N742 PolarHBondContact O-N 3.09Å
743H38.9Very low36.4Very low96 Ų9683.5 Ų83.544%0.44443%0.43SS..THydrogen-bonded Turntrans-90.11.2171.4-68.3-64.4000113.9I739 I740 L741 P745 L746 L747I739-H743 PolarHBondContact O-CD2 3.03Å; I739-H743 PolarHBondContact O-N 2.81Å; I740-H743 CarbonylContact O-C 3.2Å; I740-H743 WeakPolarHBondContact O-CA 3.46Å; I740-H743 PolarHBondContact O-N 3.49Å; L741-H743 PolarHBondContact O-N 2.85Å; H743-P745 VanDerWaalsContact C-N 3.34Å; H743-L746 CarbonylContact O-C 3.53Å; H743-L746 VanDerWaalsContact O-CA 3.29Å; H743-L746 WeakPolarHBondContact O-CA 3.33Å; H743-L746 VanDerWaalsContact O-CB 3.27Å; H743-L746 WeakPolarHBondContact O-CB 3.33Å; H743-L746 PolarHBondContact O-N 3.48Å; H743-L747 HydrophobicContact CB-CD1 4.3Å; H743-L747 PolarHBondContact O-N 3.41Å
744L31.6Very low36.5Very low64 Ų6478.7 Ų78.734%0.33542%0.423SS..Hα-helixtrans-58.9-36.5-174.5-159.877.7000113.6I740 L741 L746 L747 I748I740-L744 WeakPolarHBondContact O-CA 3.36Å; I740-L744 PolarHBondContact O-N 2.92Å; L741-L744 HydrophobicContact CD2-CB 4.49Å; L741-L744 HydrophobicContact CD2-CD1 4.19Å; L741-L744 HydrophobicContact CD2-CD2 3.86Å; L741-L744 HydrophobicContact CD2-CG 4.4Å; L741-L744 WeakPolarHBondContact O-CB 3.38Å; L741-L744 PolarHBondContact O-N 3.01Å; L744-L746 PolarHBondContact O-N 3.43Å; L744-L747 PolarHBondContact O-N 2.77Å; L744-I748 HydrophobicContact CD1-CD1 4.32Å; L744-I748 HydrophobicContact CD1-CG1 4.29Å; L744-I748 HydrophobicContact CD2-CD1 3.83Å; L744-I748 HydrophobicContact CG-CD1 3.65Å; L744-I748 HydrophobicContact CG-CG1 3.97Å; L744-I748 WeakPolarHBondContact O-CB 3.3Å; L744-I748 WeakPolarHBondContact O-CG1 3.42Å; L744-I748 PolarHBondContact O-N 2.65Å
745P35.3Very low36.3Very low93 Ų9381.9 Ų81.960%0.60443%0.428SS*.Hα-helixtrans-60.2-30.8171.4-2233.8000112.7H743 I749H743-P745 VanDerWaalsContact C-N 3.34Å; P745-I749 VanDerWaalsContact O-CD1 3.26Å; P745-I749 WeakPolarHBondContact O-CD1 3.4Å; P745-I749 WeakPolarHBondContact O-CG1 3.43Å
746L38.2Very low36.3Very low82 Ų8282.6 Ų82.643%0.42943%0.431SS..Hα-helixtrans-84.9-34.6176.4-66.3154.3000112.1L700 H743 L744 S750L700-L746 HydrophobicContact CD2-CD2 4.36Å; H743-L746 CarbonylContact O-C 3.53Å; H743-L746 VanDerWaalsContact O-CA 3.29Å; H743-L746 WeakPolarHBondContact O-CA 3.33Å; H743-L746 VanDerWaalsContact O-CB 3.27Å; H743-L746 WeakPolarHBondContact O-CB 3.33Å; H743-L746 PolarHBondContact O-N 3.48Å; L744-L746 PolarHBondContact O-N 3.43Å; L746-S750 PolarHBondContact O-N 3.19Å; L746-S750 PolarHBondContact O-OG 3.4Å
747L33.4Very low36.4Very low52 Ų5281.1 Ų81.127%0.27243%0.428SS..Hα-helixtrans-77.6-39.2-177.4-103.2159.7000112.7I740 H743 L744 I749 S750 I751I740-L747 HydrophobicContact CB-CD1 4.39Å; I740-L747 HydrophobicContact CG1-CD1 4.42Å; I740-L747 HydrophobicContact CG2-CD1 3.79Å; H743-L747 HydrophobicContact CB-CD1 4.3Å; H743-L747 PolarHBondContact O-N 3.41Å; L744-L747 PolarHBondContact O-N 2.77Å; L747-I749 PolarHBondContact O-N 2.92Å; L747-S750 WeakPolarHBondContact CA-OG 3.33Å; L747-S750 PolarHBondContact O-N 3.4Å; L747-S750 PolarHBondContact O-OG 3Å; L747-I751 HydrophobicContact CB-CD1 3.96Å; L747-I751 HydrophobicContact CB-CG1 4.35Å; L747-I751 HydrophobicContact CD2-CD1 3.79Å; L747-I751 HydrophobicContact CD2-CG1 3.5Å; L747-I751 VanDerWaalsContact CD2-CG1 3.5Å; L747-I751 HydrophobicContact CG-CD1 4.47Å; L747-I751 WeakPolarHBondContact O-CB 3.3Å; L747-I751 VanDerWaalsContact O-CD1 3.32Å; L747-I751 WeakPolarHBondContact O-CD1 3.05Å; L747-I751 WeakPolarHBondContact O-CG1 3.4Å; L747-I751 PolarHBondContact O-N 2.87Å
748I34.1Very low36.2Very low109 Ų10980.9 Ų80.956%0.55943%0.432SS*.Hα-helixtrans-61.8-27.7174.9-69.1171.6000111.1L744 P752L744-I748 HydrophobicContact CD1-CD1 4.32Å; L744-I748 HydrophobicContact CD1-CG1 4.29Å; L744-I748 HydrophobicContact CD2-CD1 3.83Å; L744-I748 HydrophobicContact CG-CD1 3.65Å; L744-I748 HydrophobicContact CG-CG1 3.97Å; L744-I748 WeakPolarHBondContact O-CB 3.3Å; L744-I748 WeakPolarHBondContact O-CG1 3.42Å; L744-I748 PolarHBondContact O-N 2.65Å; I748-P752 WeakPolarHBondContact O-CD 3.27Å
749I38Very low36.2Very low91 Ų9182.7 Ų82.747%0.46744%0.443SS..Hα-helixtrans-79.5-31.2175-60.6174.8000111.6P745 L747P745-I749 VanDerWaalsContact O-CD1 3.26Å; P745-I749 WeakPolarHBondContact O-CD1 3.4Å; P745-I749 WeakPolarHBondContact O-CG1 3.43Å; L747-I749 PolarHBondContact O-N 2.92Å
750S35.6Very low36.2Very low58 Ų5885.1 Ų85.141%0.40645%0.452SS..Hα-helixtrans-96.9-27.2-175.269.50000115.5L746 L747 P752 Y753 G754L746-S750 PolarHBondContact O-N 3.19Å; L746-S750 PolarHBondContact O-OG 3.4Å; L747-S750 WeakPolarHBondContact CA-OG 3.33Å; L747-S750 PolarHBondContact O-N 3.4Å; L747-S750 PolarHBondContact O-OG 3Å; S750-P752 VanDerWaalsContact C-CD 3.48Å; S750-Y753 PolarHBondContact O-N 3.17Å; S750-G754 PolarHBondContact O-N 3.1Å
751I31.6Very low36.3Very low82 Ų8285 Ų8542%0.42145%0.452SS..Hα-helixtrans-58.4-41.5-177.7-72.1160.9000113.2L747 Y753 G754 F755L747-I751 HydrophobicContact CB-CD1 3.96Å; L747-I751 HydrophobicContact CB-CG1 4.35Å; L747-I751 HydrophobicContact CD2-CD1 3.79Å; L747-I751 HydrophobicContact CD2-CG1 3.5Å; L747-I751 VanDerWaalsContact CD2-CG1 3.5Å; L747-I751 HydrophobicContact CG-CD1 4.47Å; L747-I751 WeakPolarHBondContact O-CB 3.3Å; L747-I751 VanDerWaalsContact O-CD1 3.32Å; L747-I751 WeakPolarHBondContact O-CD1 3.05Å; L747-I751 WeakPolarHBondContact O-CG1 3.4Å; L747-I751 PolarHBondContact O-N 2.87Å; I751-Y753 PolarHBondContact O-N 3.25Å; I751-G754 PolarHBondContact O-N 3.14Å; I751-F755 PolarHBondContact O-N 2.95Å
752P33.4Very low36.6Very low61 Ų6184 Ų8440%0.39645%0.452SS..Hα-helixtrans-58.4-36.4175.6-21.431.9000111.6I748 S750 I756I748-P752 WeakPolarHBondContact O-CD 3.27Å; S750-P752 VanDerWaalsContact C-CD 3.48Å; P752-I756 VanDerWaalsContact O-CB 3.24Å; P752-I756 WeakPolarHBondContact O-CB 3.4Å; P752-I756 WeakPolarHBondContact O-CD1 3.31Å; P752-I756 WeakPolarHBondContact O-CG1 3.37Å; P752-I756 PolarHBondContact O-N 2.93Å
753Y41.3Very low36.7Very low116 Ų11687.1 Ų87.146%0.45547%0.467SS..Hα-helixtrans-83.9-33.2-176.5-71.7-81.3000113.2S750 I751 F755 I757 I808S750-Y753 PolarHBondContact O-N 3.17Å; I751-Y753 PolarHBondContact O-N 3.25Å; Y753-F755 VanDerWaalsContact C-N 3.35Å; Y753-F755 PolarHBondContact O-N 3.2Å; Y753-I757 HydrophobicContact CD1-CD1 4.48Å; Y753-I757 WeakPolarHBondContact O-CB 3.48Å; Y753-I757 VanDerWaalsContact O-CD1 3.31Å; Y753-I757 WeakPolarHBondContact O-CD1 3.3Å; Y753-I757 VanDerWaalsContact O-CG1 3.24Å; Y753-I757 WeakPolarHBondContact O-CG1 3.23Å; Y753-I757 PolarHBondContact O-N 3.09Å; Y753-I808 HydrophobicContact CE1-CD1 4.4Å; Y753-I808 HydrophobicContact CE1-CG1 4.28Å
754G35.6Very low36.9Very low48 Ų4886.5 Ų86.550%0.49547%0.467SS..Hα-helixtrans-66.5-30.517900000114.5S750 I751 P758S750-G754 PolarHBondContact O-N 3.1Å; I751-G754 PolarHBondContact O-N 3.14Å; G754-P758 WeakPolarHBondContact O-CD 3.28Å; G754-P758 WeakPolarHBondContact O-CG 3.39Å
755F32.9Very low37.3Very low165 Ų16588.8 Ų88.872%0.72448%0.48SS*.Hα-helixtrans-99.2-33.7-179.6-91.9-86.3000114.2I751 Y753 P758 L759I751-F755 PolarHBondContact O-N 2.95Å; Y753-F755 VanDerWaalsContact C-N 3.35Å; Y753-F755 PolarHBondContact O-N 3.2Å; F755-P758 WeakPolarHBondContact O-CD 3.46Å; F755-L759 WeakPolarHBondContact O-CB 3.46Å; F755-L759 PolarHBondContact O-N 3.37Å
756I37.2Very low37.3Very low108 Ų10891.1 Ų91.155%0.55448%0.48SS*.Hα-helixtrans-70-37.6-178.4-66.7172.3000110.9P752 L759 F760P752-I756 VanDerWaalsContact O-CB 3.24Å; P752-I756 WeakPolarHBondContact O-CB 3.4Å; P752-I756 WeakPolarHBondContact O-CD1 3.31Å; P752-I756 WeakPolarHBondContact O-CG1 3.37Å; P752-I756 PolarHBondContact O-N 2.93Å; I756-L759 PolarHBondContact O-N 3.13Å; I756-F760 VanDerWaalsContact O-CB 3.26Å; I756-F760 WeakPolarHBondContact O-CB 3.29Å; I756-F760 PolarHBondContact O-N 3.05Å
757I40.6Very low37.2Very low53 Ų5388.7 Ų88.727%0.27248%0.475SS..Hα-helixtrans-66.9-47.2-176.4-63.3170.7000112.4Y753 F760 N761Y753-I757 HydrophobicContact CD1-CD1 4.48Å; Y753-I757 WeakPolarHBondContact O-CB 3.48Å; Y753-I757 VanDerWaalsContact O-CD1 3.31Å; Y753-I757 WeakPolarHBondContact O-CD1 3.3Å; Y753-I757 VanDerWaalsContact O-CG1 3.24Å; Y753-I757 WeakPolarHBondContact O-CG1 3.23Å; Y753-I757 PolarHBondContact O-N 3.09Å; I757-F760 PolarHBondContact O-N 3.33Å; I757-N761 WeakPolarHBondContact O-CB 3.23Å; I757-N761 VanDerWaalsContact O-CG 3.31Å; I757-N761 PolarHBondContact O-N 2.81Å; I757-N761 PolarHBondContact O-ND2 3.49Å
758P32.7Very low37.3Very low74 Ų7493.5 Ų93.548%0.48149%0.494SS..Hα-helixtrans-65.3-38.2175.1-21.632.7000113.4G754 F755 F760 N761 C762G754-P758 WeakPolarHBondContact O-CD 3.28Å; G754-P758 WeakPolarHBondContact O-CG 3.39Å; F755-P758 WeakPolarHBondContact O-CD 3.46Å; P758-F760 VanDerWaalsContact C-N 3.35Å; P758-N761 PolarHBondContact O-N 2.74Å; P758-C762 PolarHBondContact O-N 3.34Å
759L38.6Very low37.3Very low122 Ų12294.4 Ų94.464%0.63950%0.499SS*.Hα-helixtrans-65.3-40.7178.3-160.288.3000110.9F755 I756 C762 I763F755-L759 WeakPolarHBondContact O-CB 3.46Å; F755-L759 PolarHBondContact O-N 3.37Å; I756-L759 PolarHBondContact O-N 3.13Å; L759-C762 PolarHBondContact O-N 3.38Å; L759-I763 WeakPolarHBondContact O-CG1 3.49Å; L759-I763 PolarHBondContact O-N 2.76Å
760F39.6Very low36.9Very low115 Ų11596.3 Ų96.350%0.50451%0.51SS..Hα-helixtrans-69-38176.7-155.4-102.9000112I756 I757 P758 C762 I763 L764I756-F760 VanDerWaalsContact O-CB 3.26Å; I756-F760 WeakPolarHBondContact O-CB 3.29Å; I756-F760 PolarHBondContact O-N 3.05Å; I757-F760 PolarHBondContact O-N 3.33Å; P758-F760 VanDerWaalsContact C-N 3.35Å; F760-C762 PolarHBondContact O-N 3.11Å; F760-I763 PolarHBondContact O-N 2.86Å; F760-L764 HydrophobicContact CD1-CD1 3.55Å; F760-L764 HydrophobicContact CD1-CG 4.1Å; F760-L764 HydrophobicContact CE1-CD1 3.62Å; F760-L764 HydrophobicContact CE1-CG 4.08Å; F760-L764 PolarHBondContact O-N 3.48Å
761N39.2Very low36.6Very low67 Ų6799.2 Ų99.236%0.35852%0.52SS..Hα-helixtrans-61-42.2171.9-75.6-16000112I757 P758 I763 L764 D765I757-N761 WeakPolarHBondContact O-CB 3.23Å; I757-N761 VanDerWaalsContact O-CG 3.31Å; I757-N761 PolarHBondContact O-N 2.81Å; I757-N761 PolarHBondContact O-ND2 3.49Å; P758-N761 PolarHBondContact O-N 2.74Å; N761-I763 VanDerWaalsContact C-N 3.27Å; N761-I763 PolarHBondContact O-N 3.38Å; N761-L764 PolarHBondContact O-N 3.29Å; N761-D765 WeakPolarHBondContact O-CB 3.46Å; N761-D765 PolarHBondContact O-N 3.31Å
762C42.8Very low36.6Very low68 Ų6899 Ų9946%0.45953%0.525SS..Hα-helixtrans-63-33.6176.6-169.30000112.7P758 L759 F760 K766P758-C762 PolarHBondContact O-N 3.34Å; L759-C762 PolarHBondContact O-N 3.38Å; F760-C762 PolarHBondContact O-N 3.11Å; C762-K766 PolarHBondContact O-N 3.31Å
763I41.3Very low36.5Very low106 Ų106100.6 Ų100.654%0.54454%0.538SS..Hα-helixtrans-73.7-43.2176.5-65.4165.5000110.7L759 F760 N761 K766 G767L759-I763 WeakPolarHBondContact O-CG1 3.49Å; L759-I763 PolarHBondContact O-N 2.76Å; F760-I763 PolarHBondContact O-N 2.86Å; N761-I763 VanDerWaalsContact C-N 3.27Å; N761-I763 PolarHBondContact O-N 3.38Å; I763-K766 PolarHBondContact O-N 2.93Å; I763-G767 PolarHBondContact O-N 3.01Å
764L41.9Very low35.8Very low82 Ų8299 Ų9943%0.42955%0.545SS..Hα-helixtrans-67.4-40.9179.6-77.9172.1000112.8F760 N761 K766 G767 F768F760-L764 HydrophobicContact CD1-CD1 3.55Å; F760-L764 HydrophobicContact CD1-CG 4.1Å; F760-L764 HydrophobicContact CE1-CD1 3.62Å; F760-L764 HydrophobicContact CE1-CG 4.08Å; F760-L764 PolarHBondContact O-N 3.48Å; N761-L764 PolarHBondContact O-N 3.29Å; L764-K766 VanDerWaalsContact C-N 3.33Å; L764-K766 PolarHBondContact O-N 3.02Å; L764-G767 PolarHBondContact O-N 3.45Å; L764-G767 VanDerWaalsContact O-N 3.15Å; L764-F768 PolarHBondContact O-N 3.48Å
765D41.1Very low35.5Very low113 Ų113101.5 Ų101.560%0.60455%0.554SS**Hα-helixtrans-62-41176.3-80-19000111.6N761 L769N761-D765 WeakPolarHBondContact O-CB 3.46Å; N761-D765 PolarHBondContact O-N 3.31Å; D765-L769 PolarHBondContact O-N 3.1Å
766K35.2Very low35.2Very low142 Ų142101.6 Ų101.662%0.61756%0.557SS**Hα-helixtrans-69.6-33.9174.3-74.2-176.3178.7178.50112.6C762 I763 L764 L770C762-K766 PolarHBondContact O-N 3.31Å; I763-K766 PolarHBondContact O-N 2.93Å; L764-K766 VanDerWaalsContact C-N 3.33Å; L764-K766 PolarHBondContact O-N 3.02Å; K766-L770 PolarHBondContact O-N 3.33Å
767G35.7Very low34.7Very low31 Ų31102.1 Ų102.132%0.3257%0.565SS.*Hα-helixtrans-68.6-41.1176.600000113.2I763 L764 L770 L771I763-G767 PolarHBondContact O-N 3.01Å; L764-G767 PolarHBondContact O-N 3.45Å; L764-G767 VanDerWaalsContact O-N 3.15Å; G767-L770 PolarHBondContact O-N 3.28Å; G767-L771 PolarHBondContact O-N 2.97Å; G767-L771 VanDerWaalsContact O-N 3.09Å
768F35.1Very low34.1Very low152 Ų152107.3 Ų107.367%0.66759%0.591SS**Hα-helixtrans-69.6-35178.6-111.2-86.2000112.6L764 L770 L771 S772L764-F768 PolarHBondContact O-N 3.48Å; F768-L770 VanDerWaalsContact C-N 3.29Å; F768-L770 PolarHBondContact O-N 2.7Å; F768-L771 PolarHBondContact O-N 2.88Å; F768-S772 PolarHBondContact O-N 3.25Å; F768-S772 VanDerWaalsContact O-N 3.07Å; F768-S772 PolarHBondContact O-OG 2.82Å
769L34.1Very low33.7Very low129 Ų129111.9 Ų111.968%0.67561%0.606SS**Hα-helixtrans-65.7-29.7172.4-79.7166.4000113.1D765 S772D765-L769 PolarHBondContact O-N 3.1Å; L769-S772 PolarHBondContact O-OG 3.25Å
770L29.4Very low33Very low130 Ų130117.2 Ų117.268%0.68162%0.618SS**Hα-helixtrans-76.4-40.3175.5-110135.6000111.8K766 G767 F768 S773K766-L770 PolarHBondContact O-N 3.33Å; G767-L770 PolarHBondContact O-N 3.28Å; F768-L770 VanDerWaalsContact C-N 3.29Å; F768-L770 PolarHBondContact O-N 2.7Å; L770-S773 PolarHBondContact O-N 3.07Å; L770-S773 PolarHBondContact O-OG 3.13Å
771L28.9Very low32.3Very low119 Ų119120.5 Ų120.562%0.62363%0.632SS**Hα-helixtrans-71.8-35.1-178.8-74.2165.1000112.9G767 F768 S773 S774G767-L771 PolarHBondContact O-N 2.97Å; G767-L771 VanDerWaalsContact O-N 3.09Å; F768-L771 PolarHBondContact O-N 2.88Å; L771-S773 PolarHBondContact O-N 3.27Å; L771-S774 PolarHBondContact O-N 3.43Å; L771-S774 PolarHBondContact O-OG 2.87Å
772S32.6Very low31.7Very low77 Ų77125.2 Ų125.254%0.53866%0.657SS.*THydrogen-bonded Turntrans-67.7-19.817765.30000113.7F768 L769 S774F768-S772 PolarHBondContact O-N 3.25Å; F768-S772 VanDerWaalsContact O-N 3.07Å; F768-S772 PolarHBondContact O-OG 2.82Å; L769-S772 PolarHBondContact O-OG 3.25Å; S772-S774 VanDerWaalsContact C-N 3.32Å; S772-S774 PolarHBondContact O-N 2.92Å
773S30.5Very low30.8Very low95 Ų95129.6 Ų129.666%0.66468%0.676SS**THydrogen-bonded Turntrans-78.4-12.7176.574.20000114.2L770 L771L770-S773 PolarHBondContact O-N 3.07Å; L770-S773 PolarHBondContact O-OG 3.13Å; L771-S773 PolarHBondContact O-N 3.27Å
774S26.9Very low30Very low84 Ų84129.7 Ų129.759%0.58769%0.686SS**THydrogen-bonded Turntrans-102.3-11.7-172.969.10000115.2L771 S772 Q776L771-S774 PolarHBondContact O-N 3.43Å; L771-S774 PolarHBondContact O-OG 2.87Å; S772-S774 VanDerWaalsContact C-N 3.32Å; S772-S774 PolarHBondContact O-N 2.92Å; S774-Q776 VanDerWaalsContact C-N 3.35Å; S774-Q776 PolarHBondContact O-N 3.48Å; S774-Q776 VanDerWaalsContact O-N 3.09Å
775S30.1Very low29.1Very low99 Ų99135.1 Ų135.169%0.69271%0.711SS**SBendtrans-84.483.7169.162.90000110
776Q26.6Very low28.3Very low168 Ų168138.5 Ų138.579%0.78573%0.726SS**  trans-43.5143.5173.2-78.7-175.5-19.300115.3S774S774-Q776 VanDerWaalsContact C-N 3.35Å; S774-Q776 PolarHBondContact O-N 3.48Å; S774-Q776 VanDerWaalsContact O-N 3.09Å
777V26.6Very low27.8Very low119 Ų119141.2 Ų141.272%0.72174%0.738SS**  60.8103.9126.2-178.40000116.3
778I27.3Very low27.3Very low161 Ų161148.6 Ų148.683%0.82676%0.764SS**  trans-167.3112.4132-87.1139.5000107.3
779H24.1Very low27Very low171 Ų171149.1 Ų149.179%0.79277%0.773SS**  trans6.4129.8149.9-78.1-82000117.2
780R24.4Very low26.6Very low234 Ų234150.3 Ų150.388%0.88378%0.781SS**  -171.5152.154.7-120.4167.7-172.3172.41.4110.1
781K23.6Very low26.5Very low184 Ų184151.8 Ų151.880%0.879%0.789SS**  trans-42.2130.8174.7-68.2168.2169.3-178.70114.6
782D26.7Very low26.3Very low165 Ų165153.6 Ų153.688%0.88280%0.798SS**  -159.999.9127.2-88.9-25.3000108.8S784D782-S784 PolarHBondContact O-N 3.07Å
783D25.3Very low26Very low161 Ų161155.2 Ų155.286%0.86181%0.81SS**  trans-76.8101.1173.1-74.9-46.6000109.2
784S24.4Very low26Very low108 Ų108155.4 Ų155.476%0.75581%0.807SS**  trans172.470.7146.759.10000113D782D782-S784 PolarHBondContact O-N 3.07Å
785M23.5Very low26.4Very low195 Ų195153.9 Ų153.996%0.96180%0.796SS**  trans-15463.6150.5-78.1-152.2108.300109.7
786M23.7Very low26.7Very low185 Ų185152.8 Ų152.891%0.91179%0.789SS**  trans-95.5102.3157.4-89.1-162.7172.800108.2
787K24.9Very low27Very low199 Ų199146.1 Ų146.187%0.86576%0.76SS**SBendtrans159.1133.1145.5-90.5165.9-178.6-177.90108.9
788Q25.4Very low27.4Very low185 Ų185143.2 Ų143.286%0.86474%0.743SS**  trans86.279.9178.3-57-178.7-2700115.3
789N27.2Very low27.8Very low163 Ų163144 Ų14487%0.87274%0.736SS**  trans-156.858.9146-95.1-15.6000108.9
790D27.1Very low28.5Very low155 Ų155138.2 Ų138.283%0.82971%0.71SS**  trans-93.694.4157.1-70.5-29000105.8
791N26Very low29.1Very low161 Ų161131.5 Ų131.586%0.86169%0.69SS**  trans171.660.4156-84.5-15000108.8
792L26.1Very low29.7Very low156 Ų156126.1 Ų126.182%0.81767%0.67SS**  trans-113.157.1168.5-150.4113.6000109V794L792-V794 VanDerWaalsContact C-N 3.25Å; L792-V794 HydrophobicContact CD2-CG2 4.33Å; L792-V794 PolarHBondContact O-N 3.44Å
793S26.7Very low30.4Very low112 Ų112122.3 Ų122.378%0.78365%0.648SS**  trans-88.973.8163.664.30000108.4S795S793-S795 PolarHBondContact O-N 3.17Å
794V30.2Very low31.1Very low99 Ų99115.8 Ų115.860%0.662%0.615SS**  trans-49.1133.7151174.10000106.2L792 S796L792-V794 VanDerWaalsContact C-N 3.25Å; L792-V794 HydrophobicContact CD2-CG2 4.33Å; L792-V794 PolarHBondContact O-N 3.44Å; V794-S796 PolarHBondContact O-N 2.92Å
795S34.4Very low32Very low52 Ų52113.6 Ų113.636%0.36460%0.598SS.*  trans-61.289-179.157.50000109.8S793 S797 T798S793-S795 PolarHBondContact O-N 3.17Å; S795-S797 PolarHBondContact O-N 2.88Å; S795-T798 PolarHBondContact O-N 3.1Å; S795-T798 VanDerWaalsContact O-N 3.09Å; S795-T798 PolarHBondContact O-OG1 2.91Å
796S36.2Very low32.9Very low76 Ų76109 Ų10953%0.53158%0.577SS.*Hα-helixtrans-52.1-22173.351.80000110.6V794 T798 W799 I800V794-S796 PolarHBondContact O-N 2.92Å; S796-T798 VanDerWaalsContact C-N 3.33Å; S796-T798 PolarHBondContact O-N 3.29Å; S796-W799 PolarHBondContact O-N 2.7Å; S796-I800 VanDerWaalsContact C-CD1 3.47Å; S796-I800 WeakPolarHBondContact O-CB 2.89Å; S796-I800 WeakPolarHBondContact O-CD1 3.4Å; S796-I800 WeakPolarHBondContact O-CG1 3.48Å; S796-I800 PolarHBondContact O-N 3.34Å
797S33.6Very low33.8Very low27 Ų27102.7 Ų102.719%0.18955%0.55CS.*Hα-helixtrans-56.1-34.4174.261.40000115.6W708 S795 I800 M801W708-S797 VanDerWaalsContact CH2-CB 3.41Å; S795-S797 PolarHBondContact O-N 2.88Å; S797-I800 PolarHBondContact O-N 3.42Å; S797-M801 PolarHBondContact O-N 3.1Å
798T35.4Very low34.6Very low58 Ų5896.7 Ų96.736%0.35653%0.527SS..Hα-helixtrans-78.9-41.4-178.755.60000111.9S795 S796 I800 M801 N802S795-T798 PolarHBondContact O-N 3.1Å; S795-T798 VanDerWaalsContact O-N 3.09Å; S795-T798 PolarHBondContact O-OG1 2.91Å; S796-T798 VanDerWaalsContact C-N 3.33Å; S796-T798 PolarHBondContact O-N 3.29Å; T798-I800 VanDerWaalsContact C-N 3.29Å; T798-M801 PolarHBondContact O-N 2.99Å; T798-N802 PolarHBondContact O-N 2.85Å
799W35.1Very low35.5Very low179 Ų17993.5 Ų93.568%0.67852%0.515SS*.Hα-helixtrans-62.7-37.5167.1-87.280.3000111.3S796 N802 I803S796-W799 PolarHBondContact O-N 2.7Å; W799-N802 PolarHBondContact O-N 2.85Å; W799-I803 HydrophobicContact CE3-CD1 3.94Å; W799-I803 VanDerWaalsContact O-CB 3.3Å; W799-I803 WeakPolarHBondContact O-CB 3.48Å; W799-I803 VanDerWaalsContact O-CG1 3.26Å; W799-I803 WeakPolarHBondContact O-CG1 3.33Å; W799-I803 PolarHBondContact O-N 2.58Å
800I39.6Very low36.3Very low49 Ų4988 Ų8825%0.25149%0.49SS..Hα-helixtrans-65.9-39.1176.1-73.2161.2000111.6S796 S797 T798 S804S796-I800 VanDerWaalsContact C-CD1 3.47Å; S796-I800 WeakPolarHBondContact O-CB 2.89Å; S796-I800 WeakPolarHBondContact O-CD1 3.4Å; S796-I800 WeakPolarHBondContact O-CG1 3.48Å; S796-I800 PolarHBondContact O-N 3.34Å; S797-I800 PolarHBondContact O-N 3.42Å; T798-I800 VanDerWaalsContact C-N 3.29Å; I800-S804 WeakPolarHBondContact O-CA 3.4Å; I800-S804 WeakPolarHBondContact O-CB 3.37Å; I800-S804 PolarHBondContact O-N 2.92Å; I800-S804 PolarHBondContact O-OG 2.96Å
801M35.8Very low37.1Very low92 Ų9285 Ų8545%0.45347%0.473SS..Hα-helixtrans-67.4-39.9178.1-136.1-177.578.500111.2S797 T798 S804 T805S797-M801 PolarHBondContact O-N 3.1Å; T798-M801 PolarHBondContact O-N 2.99Å; M801-S804 WeakPolarHBondContact CA-OG 3.25Å; M801-S804 PolarHBondContact O-OG 2.7Å; M801-S804 VanDerWaalsContact O-OG 3.11Å; M801-T805 WeakPolarHBondContact O-CB 3.08Å; M801-T805 VanDerWaalsContact O-CG2 3.23Å; M801-T805 WeakPolarHBondContact O-CG2 3.48Å; M801-T805 PolarHBondContact O-N 2.73Å; M801-T805 PolarHBondContact O-OG1 2.93Å
802N37.7Very low38Very low71 Ų7179.8 Ų79.838%0.3845%0.451SS..Hα-helixtrans-73.2-39.7176.7-74-21000112.5T798 W799 T805 L806 L883T798-N802 PolarHBondContact O-N 2.85Å; W799-N802 PolarHBondContact O-N 2.85Å; N802-T805 WeakPolarHBondContact CA-OG1 3.27Å; N802-T805 PolarHBondContact O-OG1 3.32Å; N802-L806 VanDerWaalsContact O-CB 3.26Å; N802-L806 WeakPolarHBondContact O-CB 3.36Å; N802-L806 WeakPolarHBondContact O-CD1 3.32Å; N802-L806 PolarHBondContact O-N 3.06Å; N802-L883 VanDerWaalsContact ND2-CD1 3.35Å; N802-L883 WeakPolarHBondContact ND2-CD1 3.5Å
803I39.9Very low39.1Very low85 Ų8578.8 Ų78.844%0.43644%0.437SS..Hα-helixtrans-71.6-39.1175.9-70166.8000110.9W799 L806 C807W799-I803 HydrophobicContact CE3-CD1 3.94Å; W799-I803 VanDerWaalsContact O-CB 3.3Å; W799-I803 WeakPolarHBondContact O-CB 3.48Å; W799-I803 VanDerWaalsContact O-CG1 3.26Å; W799-I803 WeakPolarHBondContact O-CG1 3.33Å; W799-I803 PolarHBondContact O-N 2.58Å; I803-L806 CarbonylContact O-C 3.48Å; I803-L806 PolarHBondContact O-N 3.19Å; I803-C807 WeakPolarHBondContact O-CA 3.42Å; I803-C807 WeakPolarHBondContact O-CB 3.49Å; I803-C807 PolarHBondContact O-N 3.29Å; I803-C807 PolarHBondContact O-SG 3.38Å; I803-C807 VanDerWaalsContact O-SG 3.32Å
804S40.5Very low39.9Very low24 Ų2478 Ų7817%0.16842%0.424CS..Hα-helixtrans-67.7-40.5176.4600000111.7I800 M801 C807 I808I800-S804 WeakPolarHBondContact O-CA 3.4Å; I800-S804 WeakPolarHBondContact O-CB 3.37Å; I800-S804 PolarHBondContact O-N 2.92Å; I800-S804 PolarHBondContact O-OG 2.96Å; M801-S804 WeakPolarHBondContact CA-OG 3.25Å; M801-S804 PolarHBondContact O-OG 2.7Å; M801-S804 VanDerWaalsContact O-OG 3.11Å; S804-C807 CarbonylContact O-C 3.59Å; S804-C807 PolarHBondContact O-N 3.16Å; S804-I808 WeakPolarHBondContact O-CB 3.39Å; S804-I808 WeakPolarHBondContact O-CD1 3.42Å; S804-I808 WeakPolarHBondContact O-CG1 3.28Å; S804-I808 PolarHBondContact O-N 3.39Å
805T43.5Very low40.6Very low62 Ų6276.8 Ų76.838%0.3842%0.416SS..Hα-helixtrans-64.8-41.4171.650.20000111.4M801 N802 C807 I808 L809M801-T805 WeakPolarHBondContact O-CB 3.08Å; M801-T805 VanDerWaalsContact O-CG2 3.23Å; M801-T805 WeakPolarHBondContact O-CG2 3.48Å; M801-T805 PolarHBondContact O-N 2.73Å; M801-T805 PolarHBondContact O-OG1 2.93Å; N802-T805 WeakPolarHBondContact CA-OG1 3.27Å; N802-T805 PolarHBondContact O-OG1 3.32Å; T805-C807 PolarHBondContact O-N 3.16Å; T805-I808 PolarHBondContact O-N 3.36Å; T805-L809 VanDerWaalsContact O-CB 3.29Å; T805-L809 WeakPolarHBondContact O-CB 3.37Å; T805-L809 WeakPolarHBondContact O-CD1 3.3Å; T805-L809 WeakPolarHBondContact O-CG 3.42Å; T805-L809 PolarHBondContact O-N 2.78Å
806L43.3Very low41.2Very low99 Ų9978.4 Ų78.452%0.51842%0.424SS..Hα-helixtrans-62.8-38171-101.4141000113N802 I803 S810N802-L806 VanDerWaalsContact O-CB 3.26Å; N802-L806 WeakPolarHBondContact O-CB 3.36Å; N802-L806 WeakPolarHBondContact O-CD1 3.32Å; N802-L806 PolarHBondContact O-N 3.06Å; I803-L806 CarbonylContact O-C 3.48Å; I803-L806 PolarHBondContact O-N 3.19Å; L806-S810 VanDerWaalsContact O-CB 3.23Å; L806-S810 WeakPolarHBondContact O-CB 3.24Å; L806-S810 PolarHBondContact O-N 2.95Å; L806-S810 PolarHBondContact O-OG 2.88Å
807C41.8Very low41.6Very low53 Ų5378.8 Ų78.836%0.35842%0.417SS..Hα-helixtrans-69.5-41.2176-81.60000110.9I803 S804 T805 S810 I811I803-C807 WeakPolarHBondContact O-CA 3.42Å; I803-C807 WeakPolarHBondContact O-CB 3.49Å; I803-C807 PolarHBondContact O-N 3.29Å; I803-C807 PolarHBondContact O-SG 3.38Å; I803-C807 VanDerWaalsContact O-SG 3.32Å; S804-C807 CarbonylContact O-C 3.59Å; S804-C807 PolarHBondContact O-N 3.16Å; T805-C807 PolarHBondContact O-N 3.16Å; C807-S810 VanDerWaalsContact CA-OG 3.25Å; C807-S810 WeakPolarHBondContact CA-OG 3.33Å; C807-S810 PolarHBondContact O-N 2.67Å; C807-S810 PolarHBondContact O-OG 3.35Å; C807-S810 VanDerWaalsContact O-OG 3.09Å; C807-I811 WeakPolarHBondContact O-CB 3.2Å; C807-I811 WeakPolarHBondContact O-CD1 3.28Å; C807-I811 WeakPolarHBondContact O-CG1 3.32Å; C807-I811 PolarHBondContact O-N 2.9Å
808I41.5Very low42.2Very low72 Ų7280.2 Ų80.237%0.36943%0.427SS..Hα-helixtrans-64.7-44.8174.6-70.7162.2000109.7Y753 S804 T805 S810 A812Y753-I808 HydrophobicContact CE1-CD1 4.4Å; Y753-I808 HydrophobicContact CE1-CG1 4.28Å; S804-I808 WeakPolarHBondContact O-CB 3.39Å; S804-I808 WeakPolarHBondContact O-CD1 3.42Å; S804-I808 WeakPolarHBondContact O-CG1 3.28Å; S804-I808 PolarHBondContact O-N 3.39Å; T805-I808 PolarHBondContact O-N 3.36Å; I808-S810 PolarHBondContact O-N 2.78Å; I808-A812 WeakPolarHBondContact O-CB 3.4Å; I808-A812 PolarHBondContact O-N 3.27Å
809L44.1Very low42.6Very low118 Ų11882.2 Ų82.262%0.61844%0.435SS*.Hα-helixtrans-65.2-38.2177-71.9168.4000111.6T805 W813T805-L809 VanDerWaalsContact O-CB 3.29Å; T805-L809 WeakPolarHBondContact O-CB 3.37Å; T805-L809 WeakPolarHBondContact O-CD1 3.3Å; T805-L809 WeakPolarHBondContact O-CG 3.42Å; T805-L809 PolarHBondContact O-N 2.78Å; L809-W813 WeakPolarHBondContact O-CB 3.31Å; L809-W813 PolarHBondContact O-N 3.21Å
810S44.4Very low43.1Very low49 Ų4976.2 Ų76.234%0.34342%0.423SS..Hα-helixtrans-78.3-34.8178.357.10000113.7L806 C807 I808 W813 L814L806-S810 VanDerWaalsContact O-CB 3.23Å; L806-S810 WeakPolarHBondContact O-CB 3.24Å; L806-S810 PolarHBondContact O-N 2.95Å; L806-S810 PolarHBondContact O-OG 2.88Å; C807-S810 VanDerWaalsContact CA-OG 3.25Å; C807-S810 WeakPolarHBondContact CA-OG 3.33Å; C807-S810 PolarHBondContact O-N 2.67Å; C807-S810 PolarHBondContact O-OG 3.35Å; C807-S810 VanDerWaalsContact O-OG 3.09Å; I808-S810 PolarHBondContact O-N 2.78Å; S810-W813 WeakPolarHBondContact O-CB 3.49Å; S810-W813 PolarHBondContact O-N 2.82Å; S810-L814 WeakPolarHBondContact O-CB 3.37Å; S810-L814 WeakPolarHBondContact O-CG 3.41Å; S810-L814 PolarHBondContact O-N 3.36Å
811I44.2Very low43.3Very low92 Ų9278.5 Ų78.547%0.47244%0.436SS..Hα-helixtrans-69.1-44.1171.4-68.8165.5000109.2C807 W813 L814 V815C807-I811 WeakPolarHBondContact O-CB 3.2Å; C807-I811 WeakPolarHBondContact O-CD1 3.28Å; C807-I811 WeakPolarHBondContact O-CG1 3.32Å; C807-I811 PolarHBondContact O-N 2.9Å; I811-W813 VanDerWaalsContact C-N 3.25Å; I811-W813 PolarHBondContact O-N 3.19Å; I811-L814 PolarHBondContact O-N 3.48Å; I811-V815 HydrophobicContact CG2-CG2 4.14Å; I811-V815 VanDerWaalsContact O-CB 3.32Å; I811-V815 WeakPolarHBondContact O-CB 3.21Å; I811-V815 WeakPolarHBondContact O-CG2 3.39Å; I811-V815 PolarHBondContact O-N 3.03Å
812A43.8Very low43.7Very low50 Ų5078.7 Ų78.741%0.41344%0.438SS..Hα-helixtrans-58-42.4171.900000110.5I808 V815 T816I808-A812 WeakPolarHBondContact O-CB 3.4Å; I808-A812 PolarHBondContact O-N 3.27Å; A812-V815 PolarHBondContact O-N 3.41Å; A812-T816 WeakPolarHBondContact O-CB 3.41Å; A812-T816 VanDerWaalsContact O-CG2 3.25Å; A812-T816 WeakPolarHBondContact O-CG2 3.48Å; A812-T816 PolarHBondContact O-N 2.76Å; A812-T816 PolarHBondContact O-OG1 2.85Å; A812-T816 VanDerWaalsContact O-OG1 3.12Å
813W49.3Very low44Very low135 Ų13578.9 Ų78.951%0.51144%0.442SS..Hα-helixtrans-61.1-49.8174.5-173.676.7000112.4L809 S810 I811 V815 T816 E817L809-W813 WeakPolarHBondContact O-CB 3.31Å; L809-W813 PolarHBondContact O-N 3.21Å; S810-W813 WeakPolarHBondContact O-CB 3.49Å; S810-W813 PolarHBondContact O-N 2.82Å; I811-W813 VanDerWaalsContact C-N 3.25Å; I811-W813 PolarHBondContact O-N 3.19Å; W813-V815 PolarHBondContact O-N 3.42Å; W813-T816 WeakPolarHBondContact CA-OG1 3.26Å; W813-T816 PolarHBondContact O-N 3.02Å; W813-T816 PolarHBondContact O-OG1 3.49Å; W813-E817 WeakPolarHBondContact O-CB 3.43Å; W813-E817 PolarHBondContact O-N 3.22Å
814L44.7Very low44.1Very low97 Ų9780.4 Ų80.451%0.50845%0.446SS..Hα-helixtrans-62.7-39.1176.5-78.3165.9000112.6S810 I811 E817 S818S810-L814 WeakPolarHBondContact O-CB 3.37Å; S810-L814 WeakPolarHBondContact O-CG 3.41Å; S810-L814 PolarHBondContact O-N 3.36Å; I811-L814 PolarHBondContact O-N 3.48Å; L814-E817 PolarHBondContact O-N 3.24Å; L814-S818 WeakPolarHBondContact O-CB 3.42Å; L814-S818 PolarHBondContact O-N 3.48Å; L814-S818 PolarHBondContact O-OG 3.4Å
815V43.3Very low44.2Very low72 Ų7284.1 Ų84.144%0.43646%0.463SS..Hα-helixtrans-65.8-44.1175.81700000109.6I811 A812 W813 E817 S818 L819I811-V815 HydrophobicContact CG2-CG2 4.14Å; I811-V815 VanDerWaalsContact O-CB 3.32Å; I811-V815 WeakPolarHBondContact O-CB 3.21Å; I811-V815 WeakPolarHBondContact O-CG2 3.39Å; I811-V815 PolarHBondContact O-N 3.03Å; A812-V815 PolarHBondContact O-N 3.41Å; W813-V815 PolarHBondContact O-N 3.42Å; V815-E817 VanDerWaalsContact C-N 3.32Å; V815-E817 PolarHBondContact O-N 3.35Å; V815-S818 WeakPolarHBondContact CA-OG 3.45Å; V815-S818 PolarHBondContact O-N 3.14Å; V815-S818 PolarHBondContact O-OG 3.37Å; V815-L819 HydrophobicContact CG1-CD1 3.82Å; V815-L819 WeakPolarHBondContact O-CB 3.45Å; V815-L819 PolarHBondContact O-N 2.93Å
816T47.2Very low44.2Very low87 Ų8787 Ų8753%0.53447%0.473SS..Hα-helixtrans-64.3-36.2174.557.60000112.6A812 W813 A820A812-T816 WeakPolarHBondContact O-CB 3.41Å; A812-T816 VanDerWaalsContact O-CG2 3.25Å; A812-T816 WeakPolarHBondContact O-CG2 3.48Å; A812-T816 PolarHBondContact O-N 2.76Å; A812-T816 PolarHBondContact O-OG1 2.85Å; A812-T816 VanDerWaalsContact O-OG1 3.12Å; W813-T816 WeakPolarHBondContact CA-OG1 3.26Å; W813-T816 PolarHBondContact O-N 3.02Å; W813-T816 PolarHBondContact O-OG1 3.49Å; T816-A820 VanDerWaalsContact O-CB 3.23Å; T816-A820 WeakPolarHBondContact O-CB 3.35Å; T816-A820 PolarHBondContact O-N 3.06Å
817E45.9Very low44.1Very low84 Ų8487.9 Ų87.939%0.39347%0.474SS..Hα-helixtrans-71.3-41.4178.4-158.3175.1-141.700111.6W813 L814 V815 A820 N821W813-E817 WeakPolarHBondContact O-CB 3.43Å; W813-E817 PolarHBondContact O-N 3.22Å; L814-E817 PolarHBondContact O-N 3.24Å; V815-E817 VanDerWaalsContact C-N 3.32Å; V815-E817 PolarHBondContact O-N 3.35Å; E817-A820 PolarHBondContact O-N 2.86Å; E817-N821 WeakPolarHBondContact O-CB 3.34Å; E817-N821 PolarHBondContact O-N 3.12Å
818S46.2Very low44.1Very low56 Ų5688.4 Ų88.439%0.39247%0.473SS..Hα-helixtrans-66.3-42.4174.967.60000112.3L814 V815 N821 I822L814-S818 WeakPolarHBondContact O-CB 3.42Å; L814-S818 PolarHBondContact O-N 3.48Å; L814-S818 PolarHBondContact O-OG 3.4Å; V815-S818 WeakPolarHBondContact CA-OG 3.45Å; V815-S818 PolarHBondContact O-N 3.14Å; V815-S818 PolarHBondContact O-OG 3.37Å; S818-N821 PolarHBondContact O-N 2.54Å; S818-I822 WeakPolarHBondContact O-CB 3.38Å; S818-I822 WeakPolarHBondContact O-CG1 3.48Å; S818-I822 PolarHBondContact O-N 3.07Å
819L43.9Very low44Very low101 Ų10188.1 Ų88.153%0.52948%0.478SS..Hα-helixtrans-61.4-44172.7-90.8153.2000111.1V815 N821 I822 T823V815-L819 HydrophobicContact CG1-CD1 3.82Å; V815-L819 WeakPolarHBondContact O-CB 3.45Å; V815-L819 PolarHBondContact O-N 2.93Å; L819-N821 VanDerWaalsContact C-N 3.35Å; L819-N821 PolarHBondContact O-N 3.33Å; L819-I822 PolarHBondContact O-N 3.11Å; L819-T823 WeakPolarHBondContact O-CG2 3.42Å; L819-T823 PolarHBondContact O-N 3.12Å; L819-T823 PolarHBondContact O-OG1 2.63Å; L819-T823 VanDerWaalsContact O-OG1 3.11Å
820A45.4Very low44.1Very low52 Ų5287.2 Ų87.243%0.4347%0.472SS..Hα-helixtrans-64-37.7176.200000112.5T816 E817 T823 F824T816-A820 VanDerWaalsContact O-CB 3.23Å; T816-A820 WeakPolarHBondContact O-CB 3.35Å; T816-A820 PolarHBondContact O-N 3.06Å; E817-A820 PolarHBondContact O-N 2.86Å; A820-T823 WeakPolarHBondContact CA-OG1 3.36Å; A820-T823 PolarHBondContact O-OG1 2.78Å; A820-F824 VanDerWaalsContact O-CB 3.25Å; A820-F824 WeakPolarHBondContact O-CB 3.3Å; A820-F824 PolarHBondContact O-N 3.4Å
821N44Very low44Very low98 Ų9888.5 Ų88.552%0.52448%0.476SS..Hα-helixtrans-71-37.4175.7-112.7-3.9000112.2E817 S818 L819 F824 N825E817-N821 WeakPolarHBondContact O-CB 3.34Å; E817-N821 PolarHBondContact O-N 3.12Å; S818-N821 PolarHBondContact O-N 2.54Å; L819-N821 VanDerWaalsContact C-N 3.35Å; L819-N821 PolarHBondContact O-N 3.33Å; N821-F824 PolarHBondContact O-N 3.46Å; N821-N825 VanDerWaalsContact O-CB 3.31Å; N821-N825 WeakPolarHBondContact O-CB 3.46Å; N821-N825 PolarHBondContact O-N 3.06Å
822I43.1Very low43.8Very low96 Ų9689.4 Ų89.449%0.49248%0.481SS..Hα-helixtrans-65.7-45176-70164.6000110S818 L819 N825 Q826S818-I822 WeakPolarHBondContact O-CB 3.38Å; S818-I822 WeakPolarHBondContact O-CG1 3.48Å; S818-I822 PolarHBondContact O-N 3.07Å; L819-I822 PolarHBondContact O-N 3.11Å; I822-N825 PolarHBondContact O-N 3.04Å; I822-Q826 WeakPolarHBondContact O-CB 3.05Å; I822-Q826 WeakPolarHBondContact O-CG 3.48Å; I822-Q826 PolarHBondContact O-N 3.35Å
823T44.3Very low43.6Very low74 Ų7491.9 Ų91.945%0.45449%0.488SS..Hα-helixtrans-64.8-40.9176.554.70000111.2L819 A820 Q826 Q827L819-T823 WeakPolarHBondContact O-CG2 3.42Å; L819-T823 PolarHBondContact O-N 3.12Å; L819-T823 PolarHBondContact O-OG1 2.63Å; L819-T823 VanDerWaalsContact O-OG1 3.11Å; A820-T823 WeakPolarHBondContact CA-OG1 3.36Å; A820-T823 PolarHBondContact O-OG1 2.78Å; T823-Q826 PolarHBondContact O-N 3.46Å; T823-Q827 VanDerWaalsContact O-CB 3.29Å; T823-Q827 WeakPolarHBondContact O-CB 3.31Å; T823-Q827 PolarHBondContact O-N 3.11Å
824F42.4Very low43.1Very low118 Ų11889.8 Ų89.852%0.51849%0.486SS..Hα-helixtrans-66.3-39.2176.8-165.2-101.4000112.9A820 N821 Q827 N828A820-F824 VanDerWaalsContact O-CB 3.25Å; A820-F824 WeakPolarHBondContact O-CB 3.3Å; A820-F824 PolarHBondContact O-N 3.4Å; N821-F824 PolarHBondContact O-N 3.46Å; F824-Q827 PolarHBondContact O-N 3.44Å; F824-N828 WeakPolarHBondContact CD1-ND2 3.29Å; F824-N828 WeakPolarHBondContact CE1-ND2 3.25Å; F824-N828 WeakPolarHBondContact O-CB 3.15Å; F824-N828 PolarHBondContact O-N 3.25Å
825N41.4Very low42.9Very low101 Ų10192.3 Ų92.354%0.5449%0.49SS..Hα-helixtrans-69.5-39.3175.1-81.5-20.8000112.4N821 I822 Q827 N828 S829N821-N825 VanDerWaalsContact O-CB 3.31Å; N821-N825 WeakPolarHBondContact O-CB 3.46Å; N821-N825 PolarHBondContact O-N 3.06Å; I822-N825 PolarHBondContact O-N 3.04Å; N825-Q827 VanDerWaalsContact C-N 3.3Å; N825-Q827 PolarHBondContact O-N 3.08Å; N825-N828 PolarHBondContact O-N 2.76Å; N825-S829 PolarHBondContact O-N 3.23Å
826Q43.8Very low42.6Very low123 Ų12396.5 Ų96.558%0.57551%0.505SS*.Hα-helixtrans-62-41.4172-78.7-174.6-14.100111I822 T823 S829 I830I822-Q826 WeakPolarHBondContact O-CB 3.05Å; I822-Q826 WeakPolarHBondContact O-CG 3.48Å; I822-Q826 PolarHBondContact O-N 3.35Å; T823-Q826 PolarHBondContact O-N 3.46Å; Q826-S829 PolarHBondContact O-N 3.27Å; Q826-I830 WeakPolarHBondContact O-CB 3.48Å; Q826-I830 WeakPolarHBondContact O-CD1 3.31Å; Q826-I830 WeakPolarHBondContact O-CG1 3.23Å; Q826-I830 PolarHBondContact O-N 3.2Å
827Q41.5Very low42.2Very low118 Ų11899.3 Ų99.355%0.55152%0.516SS*.Hα-helixtrans-68.4-34.9178.7-155.5162.8200112.2T823 F824 N825 N831T823-Q827 VanDerWaalsContact O-CB 3.29Å; T823-Q827 WeakPolarHBondContact O-CB 3.31Å; T823-Q827 PolarHBondContact O-N 3.11Å; F824-Q827 PolarHBondContact O-N 3.44Å; N825-Q827 VanDerWaalsContact C-N 3.3Å; N825-Q827 PolarHBondContact O-N 3.08Å; Q827-N831 VanDerWaalsContact O-CB 3.27Å; Q827-N831 WeakPolarHBondContact O-CB 3.45Å; Q827-N831 PolarHBondContact O-N 3.39Å; Q827-N831 PolarHBondContact O-ND2 3.28Å
828N41.8Very low41.9Very low63 Ų63102.1 Ų102.134%0.33753%0.533SS..Hα-helixtrans-71.8-34.3171.9-80.9-22.5000113.4F824 N825 N831 N832F824-N828 WeakPolarHBondContact CD1-ND2 3.29Å; F824-N828 WeakPolarHBondContact CE1-ND2 3.25Å; F824-N828 WeakPolarHBondContact O-CB 3.15Å; F824-N828 PolarHBondContact O-N 3.25Å; N825-N828 PolarHBondContact O-N 2.76Å; N828-N831 PolarHBondContact O-N 3.42Å; N828-N832 WeakPolarHBondContact O-CB 3.28Å; N828-N832 PolarHBondContact O-N 3.07Å
829S39.9Very low41.4Very low67 Ų67105.5 Ų105.547%0.46955%0.547SS..Hα-helixtrans-64.5-47.1172.4-166.70000110.7N825 Q826 N831 N832 D833N825-S829 PolarHBondContact O-N 3.23Å; Q826-S829 PolarHBondContact O-N 3.27Å; S829-N831 VanDerWaalsContact C-N 3.29Å; S829-N831 PolarHBondContact O-N 3.16Å; S829-N832 PolarHBondContact O-N 2.91Å; S829-D833 PolarHBondContact O-N 2.83Å
830I45.6Very low41.2Very low98 Ų98108 Ų10850%0.50356%0.559SS.*Hα-helixtrans-62.8-37.6177-66.5163.9000110.8Q826 N834Q826-I830 WeakPolarHBondContact O-CB 3.48Å; Q826-I830 WeakPolarHBondContact O-CD1 3.31Å; Q826-I830 WeakPolarHBondContact O-CG1 3.23Å; Q826-I830 PolarHBondContact O-N 3.2Å; I830-N834 WeakPolarHBondContact O-CB 3.25Å; I830-N834 VanDerWaalsContact O-CG 3.26Å; I830-N834 PolarHBondContact O-N 3.16Å; I830-N834 VanDerWaalsContact O-N 3.07Å; I830-N834 PolarHBondContact O-ND2 3.14Å; I830-N834 VanDerWaalsContact O-ND2 3.16Å
831N42.6Very low40.6Very low76 Ų76113.6 Ų113.641%0.40658%0.576SS.*Hα-helixtrans-71.7-33.8176.5-76.3-19.8000112.9Q827 N828 S829 N834 Y835Q827-N831 VanDerWaalsContact O-CB 3.27Å; Q827-N831 WeakPolarHBondContact O-CB 3.45Å; Q827-N831 PolarHBondContact O-N 3.39Å; Q827-N831 PolarHBondContact O-ND2 3.28Å; N828-N831 PolarHBondContact O-N 3.42Å; S829-N831 VanDerWaalsContact C-N 3.29Å; S829-N831 PolarHBondContact O-N 3.16Å; N831-N834 PolarHBondContact O-N 3.42Å; N831-Y835 WeakPolarHBondContact O-CB 3.21Å; N831-Y835 WeakPolarHBondContact O-CD2 3.45Å; N831-Y835 PolarHBondContact O-N 3.08Å
832N39.4Very low40Very low111 Ų111118.3 Ų118.359%0.59459%0.592SS**Hα-helixtrans-69.9-38.4175.8-84.4-14.6000112.3N828 S829 N834 Y835 Q836N828-N832 WeakPolarHBondContact O-CB 3.28Å; N828-N832 PolarHBondContact O-N 3.07Å; S829-N832 PolarHBondContact O-N 2.91Å; N832-N834 VanDerWaalsContact C-N 3.35Å; N832-Y835 PolarHBondContact O-N 2.88Å; N832-Q836 PolarHBondContact O-N 2.87Å
833D39.7Very low39.6Very low102 Ų102122.5 Ų122.555%0.54561%0.61SS.*Hα-helixtrans-67.1-38.6174.4-67.8-21.2000111.1S829 Y835 Q836S829-D833 PolarHBondContact O-N 2.83Å; D833-Y835 VanDerWaalsContact C-N 3.34Å; D833-Y835 PolarHBondContact O-N 2.77Å; D833-Q836 PolarHBondContact O-N 3.44Å
834N39.6Very low39.3Very low91 Ų91126.5 Ų126.549%0.48763%0.627SS.*Hα-helixtrans-70.4-26.5174.4-74.8-28.1000113.4I830 N831 N832 L837 L838I830-N834 WeakPolarHBondContact O-CB 3.25Å; I830-N834 VanDerWaalsContact O-CG 3.26Å; I830-N834 PolarHBondContact O-N 3.16Å; I830-N834 VanDerWaalsContact O-N 3.07Å; I830-N834 PolarHBondContact O-ND2 3.14Å; I830-N834 VanDerWaalsContact O-ND2 3.16Å; N831-N834 PolarHBondContact O-N 3.42Å; N832-N834 VanDerWaalsContact C-N 3.35Å; N834-L837 PolarHBondContact O-N 3Å; N834-L838 PolarHBondContact O-N 3.31Å
835Y39.2Very low38.8Very low150 Ų150129.6 Ų129.659%0.58864%0.643SS**Hα-helixtrans-72.3-27.5176.7-111.3-85000112.9N831 N832 D833N831-Y835 WeakPolarHBondContact O-CB 3.21Å; N831-Y835 WeakPolarHBondContact O-CD2 3.45Å; N831-Y835 PolarHBondContact O-N 3.08Å; N832-Y835 PolarHBondContact O-N 2.88Å; D833-Y835 VanDerWaalsContact C-N 3.34Å; D833-Y835 PolarHBondContact O-N 2.77Å
836Q38.6Very low38.6Very low161 Ų161132.6 Ų132.675%0.75265%0.651SS**Hα-helixtrans-72.2-30.5173.1-71.3-166.7-6.400112.2N832 D833N832-Q836 PolarHBondContact O-N 2.87Å; D833-Q836 PolarHBondContact O-N 3.44Å
837L38.1Very low38.3Very low145 Ų145136.4 Ų136.476%0.75967%0.666SS**Hα-helixtrans-79-25.3-178.8-123.1104.4000114.1N834N834-L837 PolarHBondContact O-N 3Å
838L39.1Very low38.2Very low144 Ų144135.2 Ų135.275%0.75467%0.67SS**Hα-helixtrans-100.2-0.5-174.1-109.9113000115.5N834 I840N834-L838 PolarHBondContact O-N 3.31Å; L838-I840 PolarHBondContact O-N 3.02Å
839N36.4Very low38Very low127 Ų127137.1 Ų137.168%0.67968%0.68SS**THydrogen-bonded Turntrans-77.910.2179.8-94.9-7.8000115.3
840I39.2Very low38Very low152 Ų152142.1 Ų142.178%0.77969%0.693SS**THydrogen-bonded Turntrans-87.4-10.1177.8-71.6178.5000114L838L838-I840 PolarHBondContact O-N 3.02Å
841Q33.2Very low37.5Very low171 Ų171144.2 Ų144.280%0.79970%0.704SS**SBendtrans-129.4-9.7-169.4-91.9-176.9-7.700122.7
842K32Very low37.4Very low197 Ų197145.9 Ų145.986%0.85771%0.712SS**  trans-147.469.9176.8-68.6-171.1179.3174.10114.8
843E34.8Very low37.4Very low184 Ų184145.3 Ų145.386%0.8671%0.709SS**  trans-72.1120.8142.2-64.3-156.2135.800106.9
844I36.7Very low37.3Very low157 Ų157145.4 Ų145.481%0.80571%0.709SS**SBend-166.63.489.9-93.9168.3000114.2
845Q32.1Very low37.2Very low183 Ų183148.2 Ų148.286%0.85572%0.72SS**SBendtrans-113.632.8-176.6-79.5-171.8-17.800116.9
846K37.8Very low37.4Very low164 Ų164149.5 Ų149.571%0.71373%0.725SS**  trans-11216.2-175-89.8-174179179.30118
847K37.7Very low37.6Very low204 Ų204148 Ų14889%0.88772%0.717SS**SBendtrans-90-17.6179.4-91.9-177.8177.8176.30116.8
848S38.2Very low37.8Very low93 Ų93146.8 Ų146.865%0.6571%0.711SS**SBendtrans-91.2-26.717853.10000114.5
849I39Very low37.9Very low103 Ų103147.6 Ų147.653%0.52871%0.708SS.*THydrogen-bonded Turntrans-80.2-18.3-175.3-63.4170000112.6L851I849-L851 VanDerWaalsContact C-N 3.34Å; I849-L851 PolarHBondContact O-N 3.24Å
850K38.9Very low38.3Very low171 Ų171146.3 Ų146.374%0.74370%0.701SS**Hα-helixtrans-71.7-22.8-175.4-124.3177.9-177.8-1780114.5
851L34.8Very low38.4Very low143 Ų143147.6 Ų147.675%0.74970%0.697SS**Hα-helixtrans-84.9-26.9-178.8-91.6152.6000113.7I849I849-L851 VanDerWaalsContact C-N 3.34Å; I849-L851 PolarHBondContact O-N 3.24Å
852I40.5Very low38.8Very low111 Ų111147.1 Ų147.157%0.56969%0.689SS**Hα-helixtrans-78.6-33.5-179.5-61.9173.2000111.3N854I852-N854 PolarHBondContact O-N 3.39Å
853N40.1Very low39.4Very low98 Ų98145.5 Ų145.552%0.52468%0.679SS.*Hα-helixtrans-68.6-31.1-178.7-87.75000114.1Q857N853-Q857 WeakPolarHBondContact O-CG 3.33Å; N853-Q857 PolarHBondContact O-N 3.17Å; N853-Q857 VanDerWaalsContact O-N 3.15Å
854N38.3Very low39.7Very low104 Ų104139.4 Ų139.456%0.55665%0.652SS**Hα-helixtrans-70.6-34.2-179.2-89.54.7000113I852 I858I852-N854 PolarHBondContact O-N 3.39Å; N854-I858 WeakPolarHBondContact O-CD1 3.3Å; N854-I858 VanDerWaalsContact O-CG1 3.27Å; N854-I858 WeakPolarHBondContact O-CG1 3.15Å; N854-I858 PolarHBondContact O-N 2.83Å
855Q36.8Very low40.1Very low151 Ų151139.6 Ų139.671%0.70664%0.644SS**Hα-helixtrans-72.4-34.5177.9-80.5-167.1-22.700113K859Q855-K859 PolarHBondContact O-N 2.69Å
856Y44Very low40.7Very low177 Ų177134.4 Ų134.469%0.69462%0.621SS**Hα-helixtrans-69.9-40.3175.8-99.1-87000112.2I858 K859 L860Y856-I858 VanDerWaalsContact C-N 3.34Å; Y856-I858 PolarHBondContact O-N 2.81Å; Y856-K859 PolarHBondContact O-N 3.2Å; Y856-L860 WeakPolarHBondContact O-CB 3.42Å; Y856-L860 PolarHBondContact O-N 3.22Å
857Q41.6Very low41.2Very low128 Ų128129.3 Ų129.360%0.59860%0.601SS**Hα-helixtrans-63.7-38.6176.5-75.3-170.5-2100112.3N853 L860 Y861N853-Q857 WeakPolarHBondContact O-CG 3.33Å; N853-Q857 PolarHBondContact O-N 3.17Å; N853-Q857 VanDerWaalsContact O-N 3.15Å; Q857-L860 PolarHBondContact O-N 3.41Å; Q857-Y861 WeakPolarHBondContact O-CB 2.97Å; Q857-Y861 PolarHBondContact O-N 2.96Å
858I42.9Very low41.5Very low121 Ų121125.1 Ų125.162%0.62158%0.583SS**Hα-helixtrans-67.9-41.6177.2-65.4165.9000111.4N854 Y856 Y861 Y862N854-I858 WeakPolarHBondContact O-CD1 3.3Å; N854-I858 VanDerWaalsContact O-CG1 3.27Å; N854-I858 WeakPolarHBondContact O-CG1 3.15Å; N854-I858 PolarHBondContact O-N 2.83Å; Y856-I858 VanDerWaalsContact C-N 3.34Å; Y856-I858 PolarHBondContact O-N 2.81Å; I858-Y861 PolarHBondContact O-N 3.22Å; I858-Y862 PolarHBondContact O-N 3.23Å; I858-Y862 VanDerWaalsContact O-N 3.08Å
859K41Very low41.8Very low160 Ų160127.2 Ų127.270%0.69658%0.578SS**Hα-helixtrans-65.5-39.1176.2-89.9-175.9176.2179.30112.7Q855 Y856 Y862 Y863Q855-K859 PolarHBondContact O-N 2.69Å; Y856-K859 PolarHBondContact O-N 3.2Å; K859-Y862 PolarHBondContact O-N 3.48Å; K859-Y863 PolarHBondContact O-N 2.91Å
860L44.8Very low42.2Very low101 Ų101130.8 Ų130.853%0.52958%0.584SS.*Hα-helixtrans-65.9-43177.7-167.672.7000111.1Y856 Q857 Y862 Y863 L864Y856-L860 WeakPolarHBondContact O-CB 3.42Å; Y856-L860 PolarHBondContact O-N 3.22Å; Q857-L860 PolarHBondContact O-N 3.41Å; L860-Y862 VanDerWaalsContact C-N 3.32Å; L860-Y862 PolarHBondContact O-N 2.85Å; L860-Y863 PolarHBondContact O-N 3.19Å; L860-L864 WeakPolarHBondContact O-CB 3.36Å; L860-L864 PolarHBondContact O-N 3.3Å
861Y41.4Very low42.6Very low178 Ų178124.4 Ų124.470%0.69856%0.558SS**Hα-helixtrans-62.5-38.9176.2-145.7-89.4000112.1Q857 I858 Y865Q857-Y861 WeakPolarHBondContact O-CB 2.97Å; Q857-Y861 PolarHBondContact O-N 2.96Å; I858-Y861 PolarHBondContact O-N 3.22Å; Y861-Y865 WeakPolarHBondContact O-CB 3.47Å; Y861-Y865 PolarHBondContact O-N 2.88Å
862Y41.4Very low43.1Very low161 Ų161123.1 Ų123.163%0.63155%0.547SS*.Hα-helixtrans-67.2-38.1176.5-159.7-95.9000112.5I858 K859 L860 Y865 L866I858-Y862 PolarHBondContact O-N 3.23Å; I858-Y862 VanDerWaalsContact O-N 3.08Å; K859-Y862 PolarHBondContact O-N 3.48Å; L860-Y862 VanDerWaalsContact C-N 3.32Å; L860-Y862 PolarHBondContact O-N 2.85Å; Y862-Y865 PolarHBondContact O-N 3.11Å; Y862-L866 HydrophobicContact CD1-CD1 3.62Å; Y862-L866 HydrophobicContact CD1-CG 4.33Å; Y862-L866 HydrophobicContact CE1-CD1 3.61Å; Y862-L866 HydrophobicContact CE1-CG 4.23Å; Y862-L866 WeakPolarHBondContact O-CG 3.26Å; Y862-L866 PolarHBondContact O-N 2.77Å
863Y44Very low43.4Very low163 Ų163121 Ų12164%0.63954%0.536SS*.Hα-helixtrans-67.7-42.8176.4-120-88.9000112.2K859 L860 Y865 L866 I867K859-Y863 PolarHBondContact O-N 2.91Å; L860-Y863 PolarHBondContact O-N 3.19Å; Y863-Y865 VanDerWaalsContact C-N 3.32Å; Y863-Y865 PolarHBondContact O-N 3.35Å; Y863-L866 PolarHBondContact O-N 3.45Å; Y863-I867 HydrophobicContact CD1-CD1 4.18Å; Y863-I867 WeakPolarHBondContact O-CG1 2.95Å; Y863-I867 PolarHBondContact O-N 2.74Å
864L42.3Very low43.8Very low57 Ų57120.6 Ų120.630%0.29853%0.533SS..Hα-helixtrans-59.8-41.4172.9-86168.3000112.1E666 L860 I867 K868E666-L864 WeakPolarHBondContact OE2-CD2 3.28Å; L860-L864 WeakPolarHBondContact O-CB 3.36Å; L860-L864 PolarHBondContact O-N 3.3Å; L864-I867 PolarHBondContact O-N 3.11Å; L864-K868 WeakPolarHBondContact O-CB 3.42Å; L864-K868 WeakPolarHBondContact O-CG 3.19Å; L864-K868 PolarHBondContact O-N 3.28Å
865Y44.9Very low44.1Very low161 Ų161119.5 Ų119.563%0.63153%0.527SS*.Hα-helixtrans-65.1-41.3176.2-154.4-90.6000111.8Y861 Y862 Y863 Y869Y861-Y865 WeakPolarHBondContact O-CB 3.47Å; Y861-Y865 PolarHBondContact O-N 2.88Å; Y862-Y865 PolarHBondContact O-N 3.11Å; Y863-Y865 VanDerWaalsContact C-N 3.32Å; Y863-Y865 PolarHBondContact O-N 3.35Å; Y865-Y869 WeakPolarHBondContact O-CB 3.34Å; Y865-Y869 PolarHBondContact O-N 2.55Å
866L43.9Very low44.6Very low73 Ų73115.2 Ų115.238%0.38251%0.508SS..Hα-helixtrans-66.2-40.3176.2-81165000113.2Y862 Y863 Y869 R870Y862-L866 HydrophobicContact CD1-CD1 3.62Å; Y862-L866 HydrophobicContact CD1-CG 4.33Å; Y862-L866 HydrophobicContact CE1-CD1 3.61Å; Y862-L866 HydrophobicContact CE1-CG 4.23Å; Y862-L866 WeakPolarHBondContact O-CG 3.26Å; Y862-L866 PolarHBondContact O-N 2.77Å; Y863-L866 PolarHBondContact O-N 3.45Å; L866-Y869 PolarHBondContact O-N 3.11Å; L866-R870 WeakPolarHBondContact O-CG 3.46Å; L866-R870 PolarHBondContact O-N 2.79Å
867I47.9Very low44.7Very low58 Ų58110.4 Ų110.430%0.29749%0.493SS..Hα-helixtrans-68.2-44.9177.4-68.4167.1000110.2Y863 L864 Y869 R870 I871Y863-I867 HydrophobicContact CD1-CD1 4.18Å; Y863-I867 WeakPolarHBondContact O-CG1 2.95Å; Y863-I867 PolarHBondContact O-N 2.74Å; L864-I867 PolarHBondContact O-N 3.11Å; I867-Y869 VanDerWaalsContact C-N 3.33Å; I867-Y869 PolarHBondContact O-N 3.43Å; I867-R870 PolarHBondContact O-N 3.34Å; I867-I871 HydrophobicContact CG2-CD1 3.89Å; I867-I871 WeakPolarHBondContact O-CG1 3.23Å; I867-I871 PolarHBondContact O-N 3.48Å
868K44.3Very low44.8Very low116 Ų116108.7 Ų108.750%0.50449%0.487SS..Hα-helixtrans-57.2-45.1172.8-80.3-176.1175.4-176.30111.7L864 R870 I871 F872L864-K868 WeakPolarHBondContact O-CB 3.42Å; L864-K868 WeakPolarHBondContact O-CG 3.19Å; L864-K868 PolarHBondContact O-N 3.28Å; K868-R870 PolarHBondContact O-N 2.93Å; K868-I871 PolarHBondContact O-N 3.02Å; K868-F872 WeakPolarHBondContact O-CB 3.46Å; K868-F872 PolarHBondContact O-N 3.28Å
869Y45.4Very low44.9Very low136 Ų136106 Ų10653%0.53348%0.479SS..Hα-helixtrans-64.3-39.7178.7-158.1-100.7000112.1Y865 L866 I867 F872 I873Y865-Y869 WeakPolarHBondContact O-CB 3.34Å; Y865-Y869 PolarHBondContact O-N 2.55Å; L866-Y869 PolarHBondContact O-N 3.11Å; I867-Y869 VanDerWaalsContact C-N 3.33Å; I867-Y869 PolarHBondContact O-N 3.43Å; Y869-F872 PolarHBondContact O-N 3.47Å; Y869-I873 HydrophobicContact CD1-CD1 3.45Å; Y869-I873 VanDerWaalsContact CD1-CD1 3.45Å; Y869-I873 HydrophobicContact CD1-CG1 4.24Å; Y869-I873 HydrophobicContact CE1-CD1 3.5Å; Y869-I873 VanDerWaalsContact CE1-CD1 3.5Å; Y869-I873 HydrophobicContact CE1-CG1 4.25Å; Y869-I873 HydrophobicContact CG-CD1 4.49Å; Y869-I873 WeakPolarHBondContact O-CB 3.46Å; Y869-I873 VanDerWaalsContact O-CG1 3.24Å; Y869-I873 WeakPolarHBondContact O-CG1 3.31Å; Y869-I873 PolarHBondContact O-N 3.43Å
870R47.7Very low44.9Very low178 Ų178102.5 Ų102.567%0.67247%0.467SS*.Hα-helixtrans-65.8-39.7176-77.9179.9176.1-168.6-1112.8L866 I867 K868 I873 I874L866-R870 WeakPolarHBondContact O-CG 3.46Å; L866-R870 PolarHBondContact O-N 2.79Å; I867-R870 PolarHBondContact O-N 3.34Å; K868-R870 PolarHBondContact O-N 2.93Å; R870-I873 PolarHBondContact O-N 2.82Å; R870-I874 VanDerWaalsContact O-CG1 3.25Å; R870-I874 WeakPolarHBondContact O-CG1 3.28Å; R870-I874 PolarHBondContact O-N 3.48Å
871I46Very low44.7Very low38 Ų38104.7 Ų104.720%0.19547%0.469CS..Hα-helixtrans-76-34.5178.5-57.6165.7000111.1F659 I867 K868 I873 I874 L875F659-I871 HydrophobicContact CD2-CD1 3.99Å; F659-I871 HydrophobicContact CD2-CG2 4.2Å; F659-I871 HydrophobicContact CE2-CB 4.04Å; F659-I871 HydrophobicContact CE2-CD1 3.43Å; F659-I871 VanDerWaalsContact CE2-CD1 3.43Å; F659-I871 HydrophobicContact CE2-CG1 4.3Å; F659-I871 HydrophobicContact CE2-CG2 3.56Å; F659-I871 HydrophobicContact CZ-CD1 3.85Å; I867-I871 HydrophobicContact CG2-CD1 3.89Å; I867-I871 WeakPolarHBondContact O-CG1 3.23Å; I867-I871 PolarHBondContact O-N 3.48Å; K868-I871 PolarHBondContact O-N 3.02Å; I871-I873 VanDerWaalsContact C-N 3.31Å; I871-I873 PolarHBondContact O-N 3.07Å; I871-I874 PolarHBondContact O-N 2.89Å; I871-L875 HydrophobicContact CG2-CD1 4.11Å; I871-L875 HydrophobicContact CG2-CG 4.3Å; I871-L875 WeakPolarHBondContact O-CB 3.44Å; I871-L875 WeakPolarHBondContact O-CG 3.3Å; I871-L875 PolarHBondContact O-N 2.77Å
872F46.7Very low44.6Very low116 Ų116101.8 Ų101.851%0.50946%0.464SS..Hα-helixtrans-61.1-41.4169.2-175.9-111.4000111.3K868 Y869 L875 I876K868-F872 WeakPolarHBondContact O-CB 3.46Å; K868-F872 PolarHBondContact O-N 3.28Å; Y869-F872 PolarHBondContact O-N 3.47Å; F872-L875 PolarHBondContact O-N 3.33Å; F872-I876 HydrophobicContact CD1-CD1 3.6Å; F872-I876 HydrophobicContact CD1-CG1 4.5Å; F872-I876 HydrophobicContact CD2-CD1 4.49Å; F872-I876 HydrophobicContact CE1-CD1 3.19Å; F872-I876 HydrophobicContact CE1-CG1 4.28Å; F872-I876 HydrophobicContact CE2-CD1 4.15Å; F872-I876 HydrophobicContact CE2-CG1 4.47Å; F872-I876 HydrophobicContact CG-CD1 4.25Å; F872-I876 HydrophobicContact CZ-CD1 3.5Å; F872-I876 HydrophobicContact CZ-CG1 4.26Å; F872-I876 VanDerWaalsContact O-CB 3.29Å; F872-I876 WeakPolarHBondContact O-CB 3.48Å; F872-I876 VanDerWaalsContact O-CG1 3.29Å; F872-I876 WeakPolarHBondContact O-CG1 3.19Å; F872-I876 PolarHBondContact O-N 2.86Å
873I45.8Very low44.3Very low67 Ų6797.1 Ų97.134%0.34445%0.449SS..Hα-helixtrans-62.8-43.2171-71.8165.4000111.1Y869 R870 I871 I876 I877Y869-I873 HydrophobicContact CD1-CD1 3.45Å; Y869-I873 VanDerWaalsContact CD1-CD1 3.45Å; Y869-I873 HydrophobicContact CD1-CG1 4.24Å; Y869-I873 HydrophobicContact CE1-CD1 3.5Å; Y869-I873 VanDerWaalsContact CE1-CD1 3.5Å; Y869-I873 HydrophobicContact CE1-CG1 4.25Å; Y869-I873 HydrophobicContact CG-CD1 4.49Å; Y869-I873 WeakPolarHBondContact O-CB 3.46Å; Y869-I873 VanDerWaalsContact O-CG1 3.24Å; Y869-I873 WeakPolarHBondContact O-CG1 3.31Å; Y869-I873 PolarHBondContact O-N 3.43Å; R870-I873 PolarHBondContact O-N 2.82Å; I871-I873 VanDerWaalsContact C-N 3.31Å; I871-I873 PolarHBondContact O-N 3.07Å; I873-I876 CarbonylContact O-C 3.52Å; I873-I876 PolarHBondContact O-N 3.23Å; I873-I877 HydrophobicContact CG2-CD1 3.49Å; I873-I877 VanDerWaalsContact CG2-CD1 3.49Å; I873-I877 HydrophobicContact CG2-CG1 4.1Å; I873-I877 VanDerWaalsContact O-CB 3.31Å; I873-I877 WeakPolarHBondContact O-CB 3.15Å; I873-I877 WeakPolarHBondContact O-CG1 3.36Å; I873-I877 PolarHBondContact O-N 2.8Å
874I48.7Very low43.9Very low89 Ų8992.6 Ų92.646%0.45644%0.436SS..Hα-helixtrans-65.6-41.3178.6-70.8162.3000111.2R870 I871 I877 I878R870-I874 VanDerWaalsContact O-CG1 3.25Å; R870-I874 WeakPolarHBondContact O-CG1 3.28Å; R870-I874 PolarHBondContact O-N 3.48Å; I871-I874 PolarHBondContact O-N 2.89Å; I874-I877 CarbonylContact O-C 3.57Å; I874-I877 PolarHBondContact O-N 2.82Å; I874-I878 HydrophobicContact CG2-CD1 3.73Å; I874-I878 HydrophobicContact CG2-CG1 4.33Å; I874-I878 WeakPolarHBondContact O-CB 3.39Å; I874-I878 VanDerWaalsContact O-CG1 3.24Å; I874-I878 WeakPolarHBondContact O-CG1 3.22Å; I874-I878 PolarHBondContact O-N 2.91Å
875L45.3Very low43.8Very low81 Ų8194.8 Ų94.842%0.42445%0.448SS..Hα-helixtrans-66.2-42.2174.8-75.1168.5000110.7I871 F872 I877 I878 S879I871-L875 HydrophobicContact CG2-CD1 4.11Å; I871-L875 HydrophobicContact CG2-CG 4.3Å; I871-L875 WeakPolarHBondContact O-CB 3.44Å; I871-L875 WeakPolarHBondContact O-CG 3.3Å; I871-L875 PolarHBondContact O-N 2.77Å; F872-L875 PolarHBondContact O-N 3.33Å; L875-I877 VanDerWaalsContact C-N 3.31Å; L875-I877 PolarHBondContact O-N 2.91Å; L875-I878 PolarHBondContact O-N 3.48Å; L875-S879 VanDerWaalsContact O-CB 3.25Å; L875-S879 WeakPolarHBondContact O-CB 2.92Å; L875-S879 PolarHBondContact O-N 3.11Å; L875-S879 PolarHBondContact O-OG 3.24Å
876I46.5Very low43.2Very low60 Ų6094 Ų9431%0.30844%0.444SS..Hα-helixtrans-59.9-41.8169.9-77.8173.9000110.7F872 I873 S879 I880F872-I876 HydrophobicContact CD1-CD1 3.6Å; F872-I876 HydrophobicContact CD1-CG1 4.5Å; F872-I876 HydrophobicContact CD2-CD1 4.49Å; F872-I876 HydrophobicContact CE1-CD1 3.19Å; F872-I876 HydrophobicContact CE1-CG1 4.28Å; F872-I876 HydrophobicContact CE2-CD1 4.15Å; F872-I876 HydrophobicContact CE2-CG1 4.47Å; F872-I876 HydrophobicContact CG-CD1 4.25Å; F872-I876 HydrophobicContact CZ-CD1 3.5Å; F872-I876 HydrophobicContact CZ-CG1 4.26Å; F872-I876 VanDerWaalsContact O-CB 3.29Å; F872-I876 WeakPolarHBondContact O-CB 3.48Å; F872-I876 VanDerWaalsContact O-CG1 3.29Å; F872-I876 WeakPolarHBondContact O-CG1 3.19Å; F872-I876 PolarHBondContact O-N 2.86Å; I873-I876 CarbonylContact O-C 3.52Å; I873-I876 PolarHBondContact O-N 3.23Å; I876-S879 CarbonylContact O-C 3.54Å; I876-S879 PolarHBondContact O-N 2.85Å; I876-I880 HydrophobicContact CG2-CD1 3.41Å; I876-I880 VanDerWaalsContact CG2-CD1 3.41Å; I876-I880 HydrophobicContact CG2-CG1 4.08Å; I876-I880 WeakPolarHBondContact O-CA 3.04Å; I876-I880 WeakPolarHBondContact O-CB 2.86Å; I876-I880 WeakPolarHBondContact O-CG1 3.46Å; I876-I880 PolarHBondContact O-N 3.04Å
877I45.2Very low42.7Very low77 Ų7793.5 Ų93.540%0.39544%0.441SS..Hα-helixtrans-67.3-41.4178.6-73.7167.2000110.2I873 I874 L875 I880 Y881I873-I877 HydrophobicContact CG2-CD1 3.49Å; I873-I877 VanDerWaalsContact CG2-CD1 3.49Å; I873-I877 HydrophobicContact CG2-CG1 4.1Å; I873-I877 VanDerWaalsContact O-CB 3.31Å; I873-I877 WeakPolarHBondContact O-CB 3.15Å; I873-I877 WeakPolarHBondContact O-CG1 3.36Å; I873-I877 PolarHBondContact O-N 2.8Å; I874-I877 CarbonylContact O-C 3.57Å; I874-I877 PolarHBondContact O-N 2.82Å; L875-I877 VanDerWaalsContact C-N 3.31Å; L875-I877 PolarHBondContact O-N 2.91Å; I877-I880 CarbonylContact O-C 3.5Å; I877-I880 PolarHBondContact O-N 3.31Å; I877-Y881 HydrophobicContact CG2-CD2 3.67Å; I877-Y881 HydrophobicContact CG2-CE2 3.98Å; I877-Y881 WeakPolarHBondContact O-CB 3.42Å; I877-Y881 WeakPolarHBondContact O-CD2 3.48Å; I877-Y881 PolarHBondContact O-N 2.81Å
878I45.7Very low42Very low91 Ų9194.4 Ų94.447%0.46745%0.446SS..Hα-helixtrans-66.5-43.9175.7-69.6165.1000109.5I874 L875 I880 Y881 M882I874-I878 HydrophobicContact CG2-CD1 3.73Å; I874-I878 HydrophobicContact CG2-CG1 4.33Å; I874-I878 WeakPolarHBondContact O-CB 3.39Å; I874-I878 VanDerWaalsContact O-CG1 3.24Å; I874-I878 WeakPolarHBondContact O-CG1 3.22Å; I874-I878 PolarHBondContact O-N 2.91Å; L875-I878 PolarHBondContact O-N 3.48Å; I878-I880 VanDerWaalsContact C-N 3.31Å; I878-I880 PolarHBondContact O-N 3.34Å; I878-Y881 PolarHBondContact O-N 3.14Å; I878-M882 HydrophobicContact CG2-CG 4.48Å; I878-M882 WeakPolarHBondContact O-CB 3.39Å; I878-M882 WeakPolarHBondContact O-CG 3.12Å; I878-M882 PolarHBondContact O-N 3.28Å
879S43.7Very low41.7Very low64 Ų6494.3 Ų94.345%0.44845%0.446SS..Hα-helixtrans-63.1-37.2173.4-61.80000111.7L875 I876 L883L875-S879 VanDerWaalsContact O-CB 3.25Å; L875-S879 WeakPolarHBondContact O-CB 2.92Å; L875-S879 PolarHBondContact O-N 3.11Å; L875-S879 PolarHBondContact O-OG 3.24Å; I876-S879 CarbonylContact O-C 3.54Å; I876-S879 PolarHBondContact O-N 2.85Å; S879-L883 WeakPolarHBondContact O-CB 3.39Å; S879-L883 PolarHBondContact O-N 3.04Å
880I41.1Very low41Very low87 Ų8792.1 Ų92.145%0.44644%0.443SS..Hα-helixtrans-73-31.9174-73.6170.3000110.7I876 I877 I878 L883 N884I876-I880 HydrophobicContact CG2-CD1 3.41Å; I876-I880 VanDerWaalsContact CG2-CD1 3.41Å; I876-I880 HydrophobicContact CG2-CG1 4.08Å; I876-I880 WeakPolarHBondContact O-CA 3.04Å; I876-I880 WeakPolarHBondContact O-CB 2.86Å; I876-I880 WeakPolarHBondContact O-CG1 3.46Å; I876-I880 PolarHBondContact O-N 3.04Å; I877-I880 CarbonylContact O-C 3.5Å; I877-I880 PolarHBondContact O-N 3.31Å; I878-I880 VanDerWaalsContact C-N 3.31Å; I878-I880 PolarHBondContact O-N 3.34Å; I880-L883 CarbonylContact O-C 3.58Å; I880-L883 WeakPolarHBondContact O-CA 3.11Å; I880-L883 VanDerWaalsContact O-CB 3.3Å; I880-L883 WeakPolarHBondContact O-CB 3.14Å; I880-L883 PolarHBondContact O-N 3.12Å; I880-N884 WeakPolarHBondContact O-CA 3.29Å; I880-N884 WeakPolarHBondContact O-CB 3.41Å; I880-N884 PolarHBondContact O-N 2.91Å
881Y41Very low40.1Very low148 Ų14889.5 Ų89.558%0.5844%0.438SS*.Hα-helixtrans-72.5-41.7174.8-105.2-82000110.3I877 I878 L883 N884 D885I877-Y881 HydrophobicContact CG2-CD2 3.67Å; I877-Y881 HydrophobicContact CG2-CE2 3.98Å; I877-Y881 WeakPolarHBondContact O-CB 3.42Å; I877-Y881 WeakPolarHBondContact O-CD2 3.48Å; I877-Y881 PolarHBondContact O-N 2.81Å; I878-Y881 PolarHBondContact O-N 3.14Å; Y881-L883 PolarHBondContact O-N 3.16Å; Y881-N884 CarbonylContact O-C 3.51Å; Y881-N884 WeakPolarHBondContact O-CA 3.31Å; Y881-N884 WeakPolarHBondContact O-CB 3.41Å; Y881-N884 PolarHBondContact O-N 3.4Å; Y881-D885 PolarHBondContact O-N 3.24Å
882M38.7Very low39.7Very low117 Ų11792 Ų9258%0.57645%0.452SS*.Hα-helixtrans-61.2-39166.7-64.6-72.8-77.900109.7I878 N884 W886I878-M882 HydrophobicContact CG2-CG 4.48Å; I878-M882 WeakPolarHBondContact O-CB 3.39Å; I878-M882 WeakPolarHBondContact O-CG 3.12Å; I878-M882 PolarHBondContact O-N 3.28Å; M882-N884 VanDerWaalsContact C-N 3.27Å; M882-N884 PolarHBondContact O-N 2.96Å; M882-W886 WeakPolarHBondContact O-CB 3.47Å; M882-W886 PolarHBondContact O-N 3Å; M882-W886 VanDerWaalsContact O-N 3.11Å
883L36Very low39Very low63 Ų6392.4 Ų92.433%0.3346%0.458SS..Hα-helixtrans-68.2-23.9170.6-154.984.1000111.7N802 S879 I880 Y881 W886 I887N802-L883 VanDerWaalsContact ND2-CD1 3.35Å; N802-L883 WeakPolarHBondContact ND2-CD1 3.5Å; S879-L883 WeakPolarHBondContact O-CB 3.39Å; S879-L883 PolarHBondContact O-N 3.04Å; I880-L883 CarbonylContact O-C 3.58Å; I880-L883 WeakPolarHBondContact O-CA 3.11Å; I880-L883 VanDerWaalsContact O-CB 3.3Å; I880-L883 WeakPolarHBondContact O-CB 3.14Å; I880-L883 PolarHBondContact O-N 3.12Å; Y881-L883 PolarHBondContact O-N 3.16Å; L883-W886 CarbonylContact O-C 3.28Å; L883-W886 PolarHBondContact O-N 3.01Å; L883-I887 HydrophobicContact CB-CD1 4.35Å; L883-I887 HydrophobicContact CD2-CD1 3.49Å; L883-I887 VanDerWaalsContact CD2-CD1 3.49Å; L883-I887 HydrophobicContact CD2-CG1 4.37Å; L883-I887 HydrophobicContact CG-CD1 3.68Å; L883-I887 HydrophobicContact CG-CG1 4.1Å; L883-I887 WeakPolarHBondContact O-CA 3.47Å; L883-I887 WeakPolarHBondContact O-CB 3.25Å; L883-I887 WeakPolarHBondContact O-CD1 3.44Å; L883-I887 WeakPolarHBondContact O-CG1 3.39Å; L883-I887 PolarHBondContact O-N 2.62Å
884N35.3Very low38.1Very low67 Ų6797.4 Ų97.436%0.35848%0.477SS..Hα-helixtrans-86-38.4-176.6-162.537.1000109.4I880 Y881 M882 W886 I887 L888I880-N884 WeakPolarHBondContact O-CA 3.29Å; I880-N884 WeakPolarHBondContact O-CB 3.41Å; I880-N884 PolarHBondContact O-N 2.91Å; Y881-N884 CarbonylContact O-C 3.51Å; Y881-N884 WeakPolarHBondContact O-CA 3.31Å; Y881-N884 WeakPolarHBondContact O-CB 3.41Å; Y881-N884 PolarHBondContact O-N 3.4Å; M882-N884 VanDerWaalsContact C-N 3.27Å; M882-N884 PolarHBondContact O-N 2.96Å; N884-W886 PolarHBondContact O-N 3.28Å; N884-I887 PolarHBondContact O-N 3.42Å; N884-L888 WeakPolarHBondContact O-CB 3.27Å; N884-L888 WeakPolarHBondContact O-CD1 2.95Å; N884-L888 WeakPolarHBondContact O-CG 3.28Å; N884-L888 PolarHBondContact O-N 2.97Å
885D38.9Very low37.2Very low104 Ų104102.2 Ų102.256%0.55650%0.495SS*.Hα-helixtrans-60.5-32.5165.7-70.1-21.4000110.4Y881 F889Y881-D885 PolarHBondContact O-N 3.24Å; D885-F889 PolarHBondContact O-N 2.8Å
886W32.9Very low36.4Very low145 Ų145106.1 Ų106.155%0.54952%0.515SS..Hα-helixtrans-88.3-24.8174.6-83.188.4000115.3M882 L883 N884 F889 I890M882-W886 WeakPolarHBondContact O-CB 3.47Å; M882-W886 PolarHBondContact O-N 3Å; M882-W886 VanDerWaalsContact O-N 3.11Å; L883-W886 CarbonylContact O-C 3.28Å; L883-W886 PolarHBondContact O-N 3.01Å; N884-W886 PolarHBondContact O-N 3.28Å; W886-F889 HydrophobicContact CE3-CB 4.27Å; W886-F889 AromaticContact CE3-CD1 3.6Å; W886-F889 HydrophobicContact CE3-CD1 3.6Å; W886-F889 HydrophobicContact CE3-CE1 4.23Å; W886-F889 HydrophobicContact CE3-CG 4.12Å; W886-F889 HydrophobicContact CH2-CE1 4.5Å; W886-F889 AromaticContact CZ3-CD1 3.55Å; W886-F889 HydrophobicContact CZ3-CD1 3.55Å; W886-F889 AromaticContact CZ3-CE1 3.68Å; W886-F889 HydrophobicContact CZ3-CE1 3.68Å; W886-F889 HydrophobicContact CZ3-CG 4.26Å; W886-F889 HydrophobicContact CZ3-CZ 4.48Å; W886-F889 CarbonylContact O-C 3.4Å; W886-F889 WeakPolarHBondContact O-CA 3.12Å; W886-F889 VanDerWaalsContact O-CB 3.25Å; W886-F889 WeakPolarHBondContact O-CB 3.46Å; W886-F889 PolarHBondContact O-N 2.92Å; W886-I890 VanDerWaalsContact O-CG1 3.24Å; W886-I890 WeakPolarHBondContact O-CG1 3.13Å; W886-I890 PolarHBondContact O-N 3.3Å
887I33.1Very low35.5Very low61 Ų61109.8 Ų109.831%0.31354%0.535SS..Hα-helixtrans-77.1-35.3172.1-78.3161.1000107.9L883 N884 F889 I890 E891L883-I887 HydrophobicContact CB-CD1 4.35Å; L883-I887 HydrophobicContact CD2-CD1 3.49Å; L883-I887 VanDerWaalsContact CD2-CD1 3.49Å; L883-I887 HydrophobicContact CD2-CG1 4.37Å; L883-I887 HydrophobicContact CG-CD1 3.68Å; L883-I887 HydrophobicContact CG-CG1 4.1Å; L883-I887 WeakPolarHBondContact O-CA 3.47Å; L883-I887 WeakPolarHBondContact O-CB 3.25Å; L883-I887 WeakPolarHBondContact O-CD1 3.44Å; L883-I887 WeakPolarHBondContact O-CG1 3.39Å; L883-I887 PolarHBondContact O-N 2.62Å; N884-I887 PolarHBondContact O-N 3.42Å; I887-F889 PolarHBondContact O-N 3.37Å; I887-I890 CarbonylContact O-C 3.55Å; I887-I890 PolarHBondContact O-N 3.41Å; I887-E891 HydrophobicContact CG2-CG 4.19Å; I887-E891 WeakPolarHBondContact O-CB 3.41Å; I887-E891 WeakPolarHBondContact O-CG 3.24Å; I887-E891 PolarHBondContact O-N 3.23Å
888L34.6Very low34.6Very low78 Ų78117.6 Ų117.641%0.40856%0.561SS.*Hα-helixtrans-61.5-35165.2-83.2155000110.4N884 N892N884-L888 WeakPolarHBondContact O-CB 3.27Å; N884-L888 WeakPolarHBondContact O-CD1 2.95Å; N884-L888 WeakPolarHBondContact O-CG 3.28Å; N884-L888 PolarHBondContact O-N 2.97Å; L888-N892 VanDerWaalsContact O-CB 3.28Å; L888-N892 WeakPolarHBondContact O-CB 3.34Å; L888-N892 PolarHBondContact O-N 2.71Å; L888-N892 VanDerWaalsContact O-N 3.15Å; L888-N892 PolarHBondContact O-ND2 3.11Å
889F37.3Very low33.9Very low113 Ų113128 Ų12850%0.49660%0.595SS.*Hα-helixtrans-67.1-36.6170.1-171.5-98000112.6D885 W886 I887 I893D885-F889 PolarHBondContact O-N 2.8Å; W886-F889 HydrophobicContact CE3-CB 4.27Å; W886-F889 AromaticContact CE3-CD1 3.6Å; W886-F889 HydrophobicContact CE3-CD1 3.6Å; W886-F889 HydrophobicContact CE3-CE1 4.23Å; W886-F889 HydrophobicContact CE3-CG 4.12Å; W886-F889 HydrophobicContact CH2-CE1 4.5Å; W886-F889 AromaticContact CZ3-CD1 3.55Å; W886-F889 HydrophobicContact CZ3-CD1 3.55Å; W886-F889 AromaticContact CZ3-CE1 3.68Å; W886-F889 HydrophobicContact CZ3-CE1 3.68Å; W886-F889 HydrophobicContact CZ3-CG 4.26Å; W886-F889 HydrophobicContact CZ3-CZ 4.48Å; W886-F889 CarbonylContact O-C 3.4Å; W886-F889 WeakPolarHBondContact O-CA 3.12Å; W886-F889 VanDerWaalsContact O-CB 3.25Å; W886-F889 WeakPolarHBondContact O-CB 3.46Å; W886-F889 PolarHBondContact O-N 2.92Å; I887-F889 PolarHBondContact O-N 3.37Å; F889-I893 HydrophobicContact CE1-CD1 4.33Å
890I31.6Very low33.4Very low91 Ų91131.3 Ų131.347%0.46760%0.602SS.*Hα-helixtrans-77.5-38.6177.8-68.4162.1000112.8W886 I887 N892 I893W886-I890 VanDerWaalsContact O-CG1 3.24Å; W886-I890 WeakPolarHBondContact O-CG1 3.13Å; W886-I890 PolarHBondContact O-N 3.3Å; I887-I890 CarbonylContact O-C 3.55Å; I887-I890 PolarHBondContact O-N 3.41Å; I890-N892 PolarHBondContact O-N 3.02Å; I890-I893 PolarHBondContact O-N 3.18Å; I890-I893 VanDerWaalsContact O-N 3.15Å
891E29Very low33Very low122 Ų122133.6 Ų133.657%0.5761%0.61SS**Hα-helixtrans-63.3-33.8173.3-79.9-170.6159.500110.2I887 I893 K894I887-E891 HydrophobicContact CG2-CG 4.19Å; I887-E891 WeakPolarHBondContact O-CB 3.41Å; I887-E891 WeakPolarHBondContact O-CG 3.24Å; I887-E891 PolarHBondContact O-N 3.23Å; E891-I893 PolarHBondContact O-N 3.43Å; E891-K894 PolarHBondContact O-N 3.14Å; E891-K894 VanDerWaalsContact O-N 3.1Å
892N35.6Very low32.5Very low91 Ų91132.8 Ų132.849%0.48761%0.612SS.*THydrogen-bonded Turntrans-72.3-7.3176-76.8-37.4000114.4R206 L888 I890R206-N892 PolarHBondContact NH2-ND2 3.02Å; R206-N892 PolarHBondContact NH2-OD1 2.03Å; R206-N892 VanDerWaalsContact NH2-OD1 3.16Å; L888-N892 VanDerWaalsContact O-CB 3.28Å; L888-N892 WeakPolarHBondContact O-CB 3.34Å; L888-N892 PolarHBondContact O-N 2.71Å; L888-N892 VanDerWaalsContact O-N 3.15Å; L888-N892 PolarHBondContact O-ND2 3.11Å; I890-N892 PolarHBondContact O-N 3.02Å
893I32.7Very low32.2Very low124 Ų124133.7 Ų133.764%0.63661%0.614SS**THydrogen-bonded Turntrans-96.1-4.5171.2-62.9174.2000111.5F889 I890 E891 F895F889-I893 HydrophobicContact CE1-CD1 4.33Å; I890-I893 PolarHBondContact O-N 3.18Å; I890-I893 VanDerWaalsContact O-N 3.15Å; E891-I893 PolarHBondContact O-N 3.43Å; I893-F895 VanDerWaalsContact C-N 3.33Å; I893-F895 PolarHBondContact O-N 3.46Å
894K28.1Very low31.9Very low172 Ų172138.1 Ų138.175%0.74863%0.632SS**  trans-8944.6177.5-87.4-169.3174.9-177.90115E891E891-K894 PolarHBondContact O-N 3.14Å; E891-K894 VanDerWaalsContact O-N 3.1Å
895F29.4Very low31.7Very low191 Ų191142.9 Ų142.984%0.83865%0.65SS**  trans-127.968162.4-96.1-82.5000110.4I893I893-F895 VanDerWaalsContact C-N 3.33Å; I893-F895 PolarHBondContact O-N 3.46Å
896I28.3Very low31.2Very low162 Ų162145.6 Ų145.683%0.83166%0.657SS**SBendtrans-120.6113.2151.3-64.2179.3000106
897D26.9Very low31Very low138 Ų138145.7 Ų145.774%0.73867%0.665SS**  trans-42.8133.5-177.5-70.1-42.9000114
898Y26.4Very low30.9Very low240 Ų240152.8 Ų152.894%0.94169%0.694SS**  trans-124.293146.5-118.4-86.8000107.1
899R30.5Very low30.5Very low311 Ų311159.5 Ų159.5100%1.17472%0.72SS**  trans34.70168.1-81.4-175.3178.1170.80.7119.1

Retrieved 899 of 899 residues in 1585.8 ms (Link to these results)

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