A0A087XR19_POEFO Loading...

Tumor necrosis factor receptor superfamily, member 11a, NFKB activator

AlphaFold DB , UniProt , Accession A0A087XR19, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 658 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
1M57.2Low71.9Confident181 Ų181143.1 Ų143.189%0.89265%0.654SS**  0-88.70-62.9-44.4-170.700113.9W3 I4M1-W3 VanDerWaalsContact C-N 3.29Å; M1-W3 PolarHBondContact O-N 3.19Å; M1-I4 PolarHBondContact O-N 3.41Å
2R59Low72.9Confident227 Ų227138.5 Ų138.586%0.85764%0.644SS**Hα-helixtrans-50.7-33.2-164.2-80.3-174.7171.7-179.5-2.8117.3R6R2-R6 PolarHBondContact O-N 3.33Å
3W58.4Low73.5Confident233 Ų233135.8 Ų135.888%0.88364%0.636SS**Hα-helixtrans-70.8-35.7178.6-74.868.1000113.4M1 R6 G7M1-W3 VanDerWaalsContact C-N 3.29Å; M1-W3 PolarHBondContact O-N 3.19Å; W3-R6 PolarHBondContact O-N 3.04Å; W3-G7 PolarHBondContact O-N 2.58Å
4I70.7Confident74Confident103 Ų103133.4 Ų133.453%0.52863%0.634SS.*Hα-helixtrans-65-49-179.1-58.9171.1000109.8M1 R6 G7 W8M1-I4 PolarHBondContact O-N 3.41Å; I4-R6 VanDerWaalsContact C-N 3.29Å; I4-R6 PolarHBondContact O-N 3.41Å; I4-G7 PolarHBondContact O-N 3.34Å; I4-G7 VanDerWaalsContact O-N 3.17Å; I4-W8 VanDerWaalsContact O-CD1 3.26Å; I4-W8 PolarHBondContact O-N 3.1Å
5F68.7Low74.1Confident143 Ų143128.9 Ų128.963%0.62762%0.619SS**Hα-helixtrans-58.5-38.2176.3-80.7-85.6000112.8I9F5-I9 WeakPolarHBondContact O-CB 3.33Å; F5-I9 WeakPolarHBondContact O-CD1 3.31Å; F5-I9 VanDerWaalsContact O-CG1 3.23Å; F5-I9 WeakPolarHBondContact O-CG1 3.49Å; F5-I9 PolarHBondContact O-N 2.88Å
6R71.6Confident74.1Confident199 Ų199129.6 Ų129.675%0.75162%0.619SS**Hα-helixtrans-63.6-47.9174.2-87.2-176.2158.5176.1-7.4112.2R2 W3 I4 W8 I9 T10R2-R6 PolarHBondContact O-N 3.33Å; W3-R6 PolarHBondContact O-N 3.04Å; I4-R6 VanDerWaalsContact C-N 3.29Å; I4-R6 PolarHBondContact O-N 3.41Å; R6-W8 VanDerWaalsContact C-N 3.33Å; R6-W8 PolarHBondContact O-N 3.35Å; R6-I9 PolarHBondContact O-N 3.37Å; R6-T10 PolarHBondContact O-N 3.28Å; R6-T10 PolarHBondContact O-OG1 2.92Å; R6-T10 VanDerWaalsContact O-OG1 3.08Å
7G77.9Confident73.7Confident37 Ų37126.5 Ų126.538%0.38161%0.614SS.*Hα-helixtrans-59.4-41.4177.400000113.1W3 I4 T10 C11W3-G7 PolarHBondContact O-N 2.58Å; I4-G7 PolarHBondContact O-N 3.34Å; I4-G7 VanDerWaalsContact O-N 3.17Å; G7-T10 WeakPolarHBondContact CA-OG1 3.48Å; G7-T10 PolarHBondContact O-N 3.35Å; G7-T10 PolarHBondContact O-OG1 3.34Å; G7-C11 WeakPolarHBondContact O-CB 3.47Å; G7-C11 PolarHBondContact O-N 3.25Å
8W81.3Confident73.1Confident188 Ų188122.1 Ų122.171%0.71260%0.601SS**Hα-helixtrans-64.8-45.4175.1-83.462.3000112.3I4 R6 T10 C11 V12I4-W8 VanDerWaalsContact O-CD1 3.26Å; I4-W8 PolarHBondContact O-N 3.1Å; R6-W8 VanDerWaalsContact C-N 3.33Å; R6-W8 PolarHBondContact O-N 3.35Å; W8-T10 PolarHBondContact O-N 2.87Å; W8-C11 PolarHBondContact O-N 3.3Å; W8-V12 WeakPolarHBondContact O-CG2 3.32Å; W8-V12 PolarHBondContact O-N 3.3Å
9I83.8Confident72.5Confident103 Ų103122.1 Ų122.153%0.52860%0.6SS.*Hα-helixtrans-60.9-44.1176.6-69.6163.5000111F5 R6 C11 V12 L13F5-I9 WeakPolarHBondContact O-CB 3.33Å; F5-I9 WeakPolarHBondContact O-CD1 3.31Å; F5-I9 VanDerWaalsContact O-CG1 3.23Å; F5-I9 WeakPolarHBondContact O-CG1 3.49Å; F5-I9 PolarHBondContact O-N 2.88Å; R6-I9 PolarHBondContact O-N 3.37Å; I9-C11 VanDerWaalsContact C-N 3.35Å; I9-C11 PolarHBondContact O-N 3.01Å; I9-V12 PolarHBondContact O-N 2.9Å; I9-L13 HydrophobicContact CG2-CD1 3.94Å; I9-L13 HydrophobicContact CG2-CG 4.49Å; I9-L13 WeakPolarHBondContact O-CB 3.43Å; I9-L13 WeakPolarHBondContact O-CG 3.12Å; I9-L13 PolarHBondContact O-N 2.9Å
10T82.8Confident71.8Confident82 Ų82119.9 Ų119.950%0.50359%0.591SS.*Hα-helixtrans-64.5-37.4175.745.90000112.6R6 G7 W8 L13 V14R6-T10 PolarHBondContact O-N 3.28Å; R6-T10 PolarHBondContact O-OG1 2.92Å; R6-T10 VanDerWaalsContact O-OG1 3.08Å; G7-T10 WeakPolarHBondContact CA-OG1 3.48Å; G7-T10 PolarHBondContact O-N 3.35Å; G7-T10 PolarHBondContact O-OG1 3.34Å; W8-T10 PolarHBondContact O-N 2.87Å; T10-L13 PolarHBondContact O-N 3.47Å; T10-V14 WeakPolarHBondContact O-CB 3.43Å; T10-V14 VanDerWaalsContact O-CG2 3.3Å; T10-V14 WeakPolarHBondContact O-CG2 3.38Å; T10-V14 PolarHBondContact O-N 3.33Å
11C80Confident71.1Confident78 Ų78117 Ų11753%0.52759%0.586SS.*Hα-helixtrans-68-40.7177.7-166.80000112.1G7 W8 I9 V14 T15G7-C11 WeakPolarHBondContact O-CB 3.47Å; G7-C11 PolarHBondContact O-N 3.25Å; W8-C11 PolarHBondContact O-N 3.3Å; I9-C11 VanDerWaalsContact C-N 3.35Å; I9-C11 PolarHBondContact O-N 3.01Å; C11-V14 PolarHBondContact O-N 3.27Å; C11-T15 WeakPolarHBondContact O-CB 3.44Å; C11-T15 WeakPolarHBondContact O-CG2 3.44Å; C11-T15 PolarHBondContact O-N 3.34Å; C11-T15 PolarHBondContact O-OG1 2.97Å
12V83.3Confident71Confident88 Ų88113.9 Ų113.953%0.53357%0.572SS.*Hα-helixtrans-65.7-41.5174.7171.70000111.2W8 I9 T15 F16W8-V12 WeakPolarHBondContact O-CG2 3.32Å; W8-V12 PolarHBondContact O-N 3.3Å; I9-V12 PolarHBondContact O-N 2.9Å; V12-T15 WeakPolarHBondContact CA-OG1 3.46Å; V12-T15 PolarHBondContact O-OG1 3.37Å; V12-F16 VanDerWaalsContact O-CB 3.24Å; V12-F16 WeakPolarHBondContact O-CB 3.47Å; V12-F16 PolarHBondContact O-N 3.49Å
13L81.4Confident70.7Confident104 Ų104106.1 Ų106.155%0.54555%0.552SS.*Hα-helixtrans-65.6-42.9176.5-71.7171000112.1I9 T10 F16 S17I9-L13 HydrophobicContact CG2-CD1 3.94Å; I9-L13 HydrophobicContact CG2-CG 4.49Å; I9-L13 WeakPolarHBondContact O-CB 3.43Å; I9-L13 WeakPolarHBondContact O-CG 3.12Å; I9-L13 PolarHBondContact O-N 2.9Å; T10-L13 PolarHBondContact O-N 3.47Å; L13-F16 PolarHBondContact O-N 3.07Å; L13-S17 WeakPolarHBondContact O-CB 3.26Å; L13-S17 PolarHBondContact O-N 2.89Å; L13-S17 PolarHBondContact O-OG 3.09Å
14V79.8Confident70.4Confident101 Ų101100.1 Ų100.161%0.61253%0.532SS*.Hα-helixtrans-65.9-43177169.50000111.7T10 C11 S17 A18T10-V14 WeakPolarHBondContact O-CB 3.43Å; T10-V14 VanDerWaalsContact O-CG2 3.3Å; T10-V14 WeakPolarHBondContact O-CG2 3.38Å; T10-V14 PolarHBondContact O-N 3.33Å; C11-V14 PolarHBondContact O-N 3.27Å; V14-S17 PolarHBondContact O-N 2.75Å; V14-A18 WeakPolarHBondContact O-CB 3.26Å; V14-A18 PolarHBondContact O-N 2.94Å
15T76.4Confident69.6Low66 Ų6699.1 Ų99.141%0.40553%0.534SS..Hα-helixtrans-67.9-35.7176.949.70000112.1C11 V12 A18 Q19C11-T15 WeakPolarHBondContact O-CB 3.44Å; C11-T15 WeakPolarHBondContact O-CG2 3.44Å; C11-T15 PolarHBondContact O-N 3.34Å; C11-T15 PolarHBondContact O-OG1 2.97Å; V12-T15 WeakPolarHBondContact CA-OG1 3.46Å; V12-T15 PolarHBondContact O-OG1 3.37Å; T15-A18 PolarHBondContact O-N 3.36Å; T15-Q19 WeakPolarHBondContact O-CB 3.47Å; T15-Q19 WeakPolarHBondContact O-CG 3.28Å; T15-Q19 PolarHBondContact O-N 3.3Å
16F73.4Confident68.9Low141 Ų14196.1 Ų96.162%0.61854%0.536SS*.Hα-helixtrans-67.2-41.4172.8-169.9-97.8000112.5V12 L13 Q19 D20V12-F16 VanDerWaalsContact O-CB 3.24Å; V12-F16 WeakPolarHBondContact O-CB 3.47Å; V12-F16 PolarHBondContact O-N 3.49Å; L13-F16 PolarHBondContact O-N 3.07Å; F16-Q19 PolarHBondContact O-N 2.93Å; F16-D20 PolarHBondContact O-N 3.49Å
17S67.9Low68.6Low77 Ų7795.5 Ų95.554%0.53853%0.534SS..Hα-helixtrans-63.6-40.8173.8-62.60000112.5L13 V14 D20 A21L13-S17 WeakPolarHBondContact O-CB 3.26Å; L13-S17 PolarHBondContact O-N 2.89Å; L13-S17 PolarHBondContact O-OG 3.09Å; V14-S17 PolarHBondContact O-N 2.75Å; S17-D20 PolarHBondContact O-N 3.41Å; S17-A21 PolarHBondContact O-N 3.04Å; S17-A21 VanDerWaalsContact O-N 3.11Å
18A62.8Low68.3Low46 Ų4695.9 Ų95.938%0.3853%0.53SS..Hα-helixtrans-65-39.8173.400000111.5V14 T15 A21 I22V14-A18 WeakPolarHBondContact O-CB 3.26Å; V14-A18 PolarHBondContact O-N 2.94Å; T15-A18 PolarHBondContact O-N 3.36Å; A18-A21 PolarHBondContact O-N 2.88Å; A18-I22 VanDerWaalsContact O-CB 3.32Å; A18-I22 WeakPolarHBondContact O-CB 3.09Å; A18-I22 WeakPolarHBondContact O-CD1 3.34Å; A18-I22 WeakPolarHBondContact O-CG1 3.19Å; A18-I22 PolarHBondContact O-N 2.8Å
19Q61.2Low68.1Low123 Ų12394.8 Ų94.858%0.57553%0.53SS*.Hα-helixtrans-65.2-40.3175.9-76.7169.312.800112.7T15 F16 S23T15-Q19 WeakPolarHBondContact O-CB 3.47Å; T15-Q19 WeakPolarHBondContact O-CG 3.28Å; T15-Q19 PolarHBondContact O-N 3.3Å; F16-Q19 PolarHBondContact O-N 2.93Å; Q19-S23 WeakPolarHBondContact O-CB 3.3Å; Q19-S23 PolarHBondContact O-N 3.19Å
20D59.7Low68.2Low78 Ų7893.1 Ų93.142%0.41752%0.521SS..Hα-helixtrans-65.9-41.2175.2-179.860.7000112F16 S17 K24F16-D20 PolarHBondContact O-N 3.49Å; S17-D20 PolarHBondContact O-N 3.41Å; D20-K24 VanDerWaalsContact CG-NZ 3.3Å; D20-K24 WeakPolarHBondContact O-CG 3.35Å; D20-K24 PolarHBondContact O-N 2.88Å; D20-K24 VanDerWaalsContact O-N 3.17Å; D20-K24 WeakPolarHBondContact OD1-CE 3.25Å; D20-K24 IonicContact OD1-NZ 2.7Å; D20-K24 PolarHBondContact OD1-NZ 3.09Å; D20-K24 IonicContact OD2-NZ 3.81Å; D20-K24 PolarHBondContact OD2-NZ 3.08Å
21A55.9Low68.5Low60 Ų6092.3 Ų92.350%0.49652%0.515SS..Hα-helixtrans-63.7-46.4174.700000112.5S17 A18 K24 S25S17-A21 PolarHBondContact O-N 3.04Å; S17-A21 VanDerWaalsContact O-N 3.11Å; A18-A21 PolarHBondContact O-N 2.88Å; A21-K24 PolarHBondContact O-N 3.3Å; A21-S25 PolarHBondContact O-N 2.93Å; A21-S25 VanDerWaalsContact O-N 3.16Å
22I54.4Low69Low114 Ų11489.9 Ų89.959%0.58550%0.495SS*.Hα-helixtrans-68.4-38.7178.6-67.7165.5000110.9A18 K24 S25 A26A18-I22 VanDerWaalsContact O-CB 3.32Å; A18-I22 WeakPolarHBondContact O-CB 3.09Å; A18-I22 WeakPolarHBondContact O-CD1 3.34Å; A18-I22 WeakPolarHBondContact O-CG1 3.19Å; A18-I22 PolarHBondContact O-N 2.8Å; I22-K24 VanDerWaalsContact C-N 3.3Å; I22-K24 PolarHBondContact O-N 2.84Å; I22-S25 PolarHBondContact O-N 3.38Å; I22-A26 VanDerWaalsContact O-CB 3.23Å; I22-A26 WeakPolarHBondContact O-CB 3.42Å; I22-A26 PolarHBondContact O-N 2.87Å
23S53Low69.2Low64 Ų6491.7 Ų91.745%0.44850%0.502SS..Hα-helixtrans-62.4-35178-176.80000112.5Q19Q19-S23 WeakPolarHBondContact O-CB 3.3Å; Q19-S23 PolarHBondContact O-N 3.19Å
24K53.4Low69.5Low107 Ų10792.4 Ų92.447%0.46550%0.498SS..Hα-helixtrans-68.9-47.6171.3-72.8163-177.7164.40111.5D20 A21 I22 A26 R27D20-K24 VanDerWaalsContact CG-NZ 3.3Å; D20-K24 WeakPolarHBondContact O-CG 3.35Å; D20-K24 PolarHBondContact O-N 2.88Å; D20-K24 VanDerWaalsContact O-N 3.17Å; D20-K24 WeakPolarHBondContact OD1-CE 3.25Å; D20-K24 IonicContact OD1-NZ 2.7Å; D20-K24 PolarHBondContact OD1-NZ 3.09Å; D20-K24 IonicContact OD2-NZ 3.81Å; D20-K24 PolarHBondContact OD2-NZ 3.08Å; A21-K24 PolarHBondContact O-N 3.3Å; I22-K24 VanDerWaalsContact C-N 3.3Å; I22-K24 PolarHBondContact O-N 2.84Å; K24-A26 VanDerWaalsContact C-N 3.3Å; K24-A26 PolarHBondContact O-N 2.92Å; K24-R27 PolarHBondContact O-N 3.38Å
25S52.7Low69.7Low82 Ų8294.6 Ų94.657%0.57351%0.506SS*.Hα-helixtrans-64.8-30.2177.9-168.70000113.8A21 I22 R27A21-S25 PolarHBondContact O-N 2.93Å; A21-S25 VanDerWaalsContact O-N 3.16Å; I22-S25 PolarHBondContact O-N 3.38Å; S25-R27 VanDerWaalsContact C-N 3.32Å
26A54.7Low69.9Low81 Ų8195.4 Ų95.467%0.66953%0.528SS*.THydrogen-bonded Turntrans-83.8-2.4-17800000113.9I22 K24I22-A26 VanDerWaalsContact O-CB 3.23Å; I22-A26 WeakPolarHBondContact O-CB 3.42Å; I22-A26 PolarHBondContact O-N 2.87Å; K24-A26 VanDerWaalsContact C-N 3.3Å; K24-A26 PolarHBondContact O-N 2.92Å
27R65.6Low70.4Confident186 Ų18690 Ų9070%0.70251%0.507SS*.THydrogen-bonded Turntrans-89.7-15.8-172.9-121.4-179.7-167.5171.97115.2K24 S25K24-R27 PolarHBondContact O-N 3.38Å; S25-R27 VanDerWaalsContact C-N 3.32Å
28C71.5Confident71.3Confident45 Ų4590.7 Ų90.730%0.30451%0.508SS..  trans-127.9136.7-165-64.10000111.5T31 C40C28-T31 HydrophobicContact CB-CG2 4.32Å; C28-C40 HydrophobicContact CB-CB 3.6Å; C28-C40 WeakPolarHBondContact CB-SG 3.44Å; C28-C40 WeakPolarHBondContact SG-CB 3.25Å; C28-C40 CovalentContact SG-SG 2.02Å; C28-C40 PolarHBondContact SG-SG 2.91Å
29K77.1Confident72.5Confident164 Ų16488.6 Ų88.671%0.71349%0.49SS*.SBendtrans-70.8-35.8-177-172.5176.2178.3-177.10112.6W72K29-W72 HydrophobicContact CB-CH2 4.13Å; K29-W72 HydrophobicContact CB-CZ2 3.96Å; K29-W72 HydrophobicContact CD-CZ2 3.94Å; K29-W72 HydrophobicContact CG-CZ2 4.46Å
30E84.6Confident73.9Confident69 Ų6983.9 Ų83.932%0.32247%0.471SS..SBendtrans-140.2148174.4-70.8-174.4-13400110.5K41 W72E30-K41 HydrophobicContact CB-CB 4.24Å; E30-K41 HydrophobicContact CB-CD 3.8Å; E30-K41 HydrophobicContact CB-CG 4.11Å; E30-K41 PolarHBondContact O-N 3.13Å; E30-K41 WeakPolarHBondContact OE2-CE 3.22Å; E30-K41 IonicContact OE2-NZ 3.08Å; E30-K41 PolarHBondContact OE2-NZ 3.49Å; E30-W72 HydrophobicContact CB-CB 4.17Å; E30-W72 HydrophobicContact CB-CG 4.37Å; E30-W72 HydrophobicContact CG-CB 4.31Å; E30-W72 HydrophobicContact CG-CG 4.29Å
31T89.9Confident75.5Confident64 Ų6482.6 Ų82.639%0.39346%0.461SS..EExtended strand (participates in β ladder)trans-127.6168.2-179.352.40000111.7C28 V38 C39 K41C28-T31 HydrophobicContact CB-CG2 4.32Å; T31-V38 HydrophobicContact CG2-CG1 3.87Å; T31-C39 CarbonylContact C-O 3.54Å; T31-C39 WeakPolarHBondContact CA-O 3.43Å; T31-C39 VanDerWaalsContact CB-O 3.27Å; T31-C39 WeakPolarHBondContact CB-O 3.42Å; T31-K41 VanDerWaalsContact O-CE 3.28Å; T31-K41 WeakPolarHBondContact O-CE 3.49Å
32Y89.8Confident77.3Confident27 Ų2779.8 Ų79.811%0.10644%0.438CS..EExtended strand (participates in β ladder)trans-150.7150.5171.469-76.4000109.5W34 C39 C40 K41 H51Y32-W34 HydrophobicContact CD2-CB 4.29Å; Y32-W34 HydrophobicContact CE2-CB 3.83Å; Y32-W34 HydrophobicContact CE2-CG 4.48Å; Y32-C39 HydrophobicContact CD1-CB 4.04Å; Y32-C39 WeakPolarHBondContact CD1-O 3.41Å; Y32-C39 HydrophobicContact CE1-CB 3.56Å; Y32-C39 HydrophobicContact CE2-CB 4.12Å; Y32-C39 PolarHBondContact N-O 2.92Å; Y32-C39 PolarHBondContact O-N 2.79Å; Y32-C40 WeakPolarHBondContact CE1-O 3.41Å; Y32-K41 HydrophobicContact CD1-CB 4.5Å; Y32-K41 HydrophobicContact CD1-CG 3.75Å; Y32-H51 AromaticContact CE2-ND1 3.59Å; Y32-H51 AromaticContact CZ-ND1 3.63Å; Y32-H51 PolarHBondContact OH-ND1 2.91Å
33D89.1Confident79.1Confident127 Ų12776.3 Ų76.368%0.67942%0.423SS*.EExtended strand (participates in β ladder)trans-81.2132.2175.6-68.4-68.8000111.6
34W86.7Confident81.1Confident118 Ų11874.9 Ų74.945%0.44741%0.412SS..EExtended strand (participates in β ladder)trans-140.9124.3173.1-179.1-99.6000111Y32 G36 S37 H51Y32-W34 HydrophobicContact CD2-CB 4.29Å; Y32-W34 HydrophobicContact CE2-CB 3.83Å; Y32-W34 HydrophobicContact CE2-CG 4.48Å; W34-G36 PolarHBondContact O-N 2.91Å; W34-G36 VanDerWaalsContact O-N 3.12Å; W34-S37 PolarHBondContact N-O 2.81Å; W34-S37 PolarHBondContact O-N 2.8Å; W34-S37 VanDerWaalsContact O-O 3.11Å; W34-H51 VanDerWaalsContact CD1-CB 3.41Å; W34-H51 AromaticContact CD1-CG 3.97Å; W34-H51 HydrophobicContact CD2-CB 3.97Å; W34-H51 AromaticContact CD2-CD2 3.8Å; W34-H51 AromaticContact CD2-CG 3.64Å; W34-H51 AromaticContact CD2-ND1 3.93Å; W34-H51 AromaticContact CE2-CD2 3.37Å; W34-H51 AromaticContact CE2-CG 3.55Å; W34-H51 AromaticContact CE3-CE1 3.99Å; W34-H51 HydrophobicContact CG-CB 3.77Å; W34-H51 AromaticContact CG-CG 3.93Å; W34-H51 AromaticContact CH2-CD2 3.66Å; W34-H51 AromaticContact CH2-NE2 3.6Å; W34-H51 AromaticContact CZ2-CD2 3.31Å; W34-H51 WeakPolarHBondContact CZ2-CD2 3.28Å; W34-H51 AromaticContact CZ2-CG 3.99Å; W34-H51 AromaticContact CZ2-NE2 3.79Å; W34-H51 AromaticContact CZ3-NE2 3.73Å; W34-H51 AromaticContact NE1-CD2 3.86Å; W34-H51 AromaticContact NE1-CG 3.74Å
35N84.9Confident82.9Confident148 Ų14869.9 Ų69.979%0.79139%0.391SS*.THydrogen-bonded Turntrans48.840.9176.1-162.321.5000113.9S37N35-S37 VanDerWaalsContact C-N 3.32Å; N35-S37 PolarHBondContact O-N 3.15Å
36G80.4Confident84.9Confident83 Ų8368.2 Ų68.286%0.85637%0.374SS*.THydrogen-bonded Turntrans71.918.4-178.100000115.4W34W34-G36 PolarHBondContact O-N 2.91Å; W34-G36 VanDerWaalsContact O-N 3.12Å
37S82.4Confident86.8Confident27 Ų2767.5 Ų67.519%0.18935%0.354CS..EExtended strand (participates in β ladder)trans-126.3139.1175-53.50000110.3W34 N35 C39W34-S37 PolarHBondContact N-O 2.81Å; W34-S37 PolarHBondContact O-N 2.8Å; W34-S37 VanDerWaalsContact O-O 3.11Å; N35-S37 VanDerWaalsContact C-N 3.32Å; N35-S37 PolarHBondContact O-N 3.15Å; S37-C39 PolarHBondContact O-N 2.79Å
38V86.8Confident88.3Confident92 Ų9258.7 Ų58.756%0.55832%0.321SS*.EExtended strand (participates in β ladder)trans-79.7113174.6-177.50000108.6T31T31-V38 HydrophobicContact CG2-CG1 3.87Å
39C88.6Confident89.4Confident1 Ų162.6 Ų62.61%0.00733%0.333CS..EExtended strand (participates in β ladder)trans-104.5151.5-179-640000111.9T31 Y32 S37 C52T31-C39 CarbonylContact C-O 3.54Å; T31-C39 WeakPolarHBondContact CA-O 3.43Å; T31-C39 VanDerWaalsContact CB-O 3.27Å; T31-C39 WeakPolarHBondContact CB-O 3.42Å; Y32-C39 HydrophobicContact CD1-CB 4.04Å; Y32-C39 WeakPolarHBondContact CD1-O 3.41Å; Y32-C39 HydrophobicContact CE1-CB 3.56Å; Y32-C39 HydrophobicContact CE2-CB 4.12Å; Y32-C39 PolarHBondContact N-O 2.92Å; Y32-C39 PolarHBondContact O-N 2.79Å; S37-C39 PolarHBondContact O-N 2.79Å; C39-C52 WeakPolarHBondContact CA-SG 3.43Å; C39-C52 HydrophobicContact CB-CB 3.73Å; C39-C52 WeakPolarHBondContact CB-SG 3.28Å; C39-C52 WeakPolarHBondContact SG-CB 3.35Å; C39-C52 CovalentContact SG-SG 2.03Å; C39-C52 PolarHBondContact SG-SG 3.4Å
40C89.8Confident90.2Very high24 Ų2457.1 Ų57.116%0.16232%0.315CS..EExtended strand (participates in β ladder)trans-82.7134.7175-56.80000111.3C28 Y32 T58C28-C40 HydrophobicContact CB-CB 3.6Å; C28-C40 WeakPolarHBondContact CB-SG 3.44Å; C28-C40 WeakPolarHBondContact SG-CB 3.25Å; C28-C40 CovalentContact SG-SG 2.02Å; C28-C40 PolarHBondContact SG-SG 2.91Å; Y32-C40 WeakPolarHBondContact CE1-O 3.41Å; C40-T58 PolarHBondContact N-OG1 2.97Å; C40-T58 WeakPolarHBondContact O-CB 3.06Å; C40-T58 PolarHBondContact O-OG1 3.48Å
41K93.4Very high90.5Very high52 Ų5255.2 Ų55.223%0.22631%0.306CS..PPolyproline II helixtrans-68.6153.5173.9-66.1-167.5-167.4173.10111.4E30 T31 Y32 W72 T73E30-K41 HydrophobicContact CB-CB 4.24Å; E30-K41 HydrophobicContact CB-CD 3.8Å; E30-K41 HydrophobicContact CB-CG 4.11Å; E30-K41 PolarHBondContact O-N 3.13Å; E30-K41 WeakPolarHBondContact OE2-CE 3.22Å; E30-K41 IonicContact OE2-NZ 3.08Å; E30-K41 PolarHBondContact OE2-NZ 3.49Å; T31-K41 VanDerWaalsContact O-CE 3.28Å; T31-K41 WeakPolarHBondContact O-CE 3.49Å; Y32-K41 HydrophobicContact CD1-CB 4.5Å; Y32-K41 HydrophobicContact CD1-CG 3.75Å; K41-W72 HydrophobicContact CB-CB 3.99Å; K41-W72 HydrophobicContact CB-CE3 4.25Å; K41-W72 HydrophobicContact CD-CB 3.87Å; K41-W72 VanDerWaalsContact CD-O 3.3Å; K41-W72 WeakPolarHBondContact CD-O 3.48Å; K41-T73 WeakPolarHBondContact CA-O 3.42Å
42C94Very high90.5Very high0 Ų052.9 Ų52.90%029%0.292CS..BIsolated β-bridgetrans-77.8144.9171.1-65.60000111.6Q46 C60 W72 T73C42-Q46 HydrophobicContact CB-CB 4.29Å; C42-C60 WeakPolarHBondContact CA-SG 3.33Å; C42-C60 HydrophobicContact CB-CB 3.74Å; C42-C60 WeakPolarHBondContact CB-SG 3.14Å; C42-C60 VanDerWaalsContact SG-CA 3.54Å; C42-C60 WeakPolarHBondContact SG-CB 3.3Å; C42-C60 CovalentContact SG-SG 2.03Å; C42-C60 PolarHBondContact SG-SG 3.48Å; C42-W72 CarbonylContact O-C 3.42Å; C42-W72 VanDerWaalsContact O-CA 3.24Å; C42-W72 WeakPolarHBondContact O-CA 3.03Å; C42-T73 HydrophobicContact CB-CG2 4.08Å; C42-T73 PolarHBondContact N-O 3.48Å; C42-T73 PolarHBondContact O-N 2.87Å
43P93.1Very high90.4Very high42 Ų4256 Ų5627%0.27331%0.311SS..PPolyproline II helixtrans-73.7161.2-178.231.2-36.5000112.8G45 Q46 W72P43-G45 PolarHBondContact O-N 3.37Å; P43-Q46 HydrophobicContact CG-CB 4.33Å; P43-Q46 HydrophobicContact CG-CG 4.18Å; P43-Q46 WeakPolarHBondContact O-CB 3.37Å; P43-Q46 PolarHBondContact O-N 2.93Å; P43-W72 HydrophobicContact CB-CE3 4.22Å; P43-W72 HydrophobicContact CB-CH2 3.87Å; P43-W72 HydrophobicContact CB-CZ2 4.23Å; P43-W72 HydrophobicContact CB-CZ3 3.86Å
44P94.2Very high89.9Confident33 Ų3358.8 Ų58.821%0.21432%0.317CS..THydrogen-bonded Turntrans-48.2132.1171.1-32.137.9000113.7Q69 P70 K101P44-Q69 CarbonylContact C-O 3.42Å; P44-Q69 WeakPolarHBondContact CA-O 3.4Å; P44-P70 VanDerWaalsContact CB-O 3.27Å; P44-P70 WeakPolarHBondContact CB-O 3.46Å; P44-P70 VanDerWaalsContact CG-O 3.26Å; P44-P70 WeakPolarHBondContact CG-O 3.37Å; P44-K101 HydrophobicContact CB-CB 4.33Å; P44-K101 HydrophobicContact CB-CD 4.35Å; P44-K101 HydrophobicContact CB-CG 4.34Å; P44-K101 VanDerWaalsContact O-CE 3.27Å; P44-K101 WeakPolarHBondContact O-CE 3.3Å
45G92.2Very high89.6Confident2 Ų258.3 Ų58.32%0.02133%0.332CS..THydrogen-bonded Turntrans92.2-7.1-171.200000115.2P43 C63 Q69 L100P43-G45 PolarHBondContact O-N 3.37Å; G45-C63 PolarHBondContact O-N 3.33Å; G45-C63 PolarHBondContact O-SG 3.39Å; G45-C63 VanDerWaalsContact O-SG 3.35Å; G45-Q69 PolarHBondContact N-O 2.83Å; G45-L100 WeakPolarHBondContact CA-O 3.37Å
46Q94.7Very high89.6Confident48 Ų4857.1 Ų57.122%0.22432%0.321CS..EExtended strand (participates in β ladder)trans-126.8155.1-178.4-57.2-164.1-32.200112.7C42 P43 C60 I61 D62 Q69 T73C42-Q46 HydrophobicContact CB-CB 4.29Å; P43-Q46 HydrophobicContact CG-CB 4.33Å; P43-Q46 HydrophobicContact CG-CG 4.18Å; P43-Q46 WeakPolarHBondContact O-CB 3.37Å; P43-Q46 PolarHBondContact O-N 2.93Å; Q46-C60 HydrophobicContact CB-CB 4.29Å; Q46-I61 CarbonylContact C-O 3.54Å; Q46-I61 WeakPolarHBondContact CA-O 3.37Å; Q46-I61 WeakPolarHBondContact CB-O 3.48Å; Q46-D62 WeakPolarHBondContact CG-OD1 3.45Å; Q46-D62 PolarHBondContact NE2-OD1 2.93Å; Q46-Q69 WeakPolarHBondContact O-CG 3.31Å; Q46-T73 VanDerWaalsContact O-CG2 3.27Å; Q46-T73 WeakPolarHBondContact O-CG2 3.45Å
47R94.9Very high89.9Confident66 Ų6658.1 Ų58.125%0.24931%0.307CS..EExtended strand (participates in β ladder)trans-121.2161.4173.361-176.3-175.493.30.7111F49 C60 I61 M76R47-F49 PolarHBondContact O-N 2.89Å; R47-C60 WeakPolarHBondContact O-CA 3.5Å; R47-I61 HydrophobicContact CG-CG1 4Å; R47-I61 PolarHBondContact N-O 2.86Å; R47-I61 VanDerWaalsContact NH2-CD1 3.31Å; R47-I61 PolarHBondContact O-N 3.23Å; R47-M76 WeakPolarHBondContact CD-O 3.06Å; R47-M76 PolarHBondContact NH1-O 3Å
48V95.6Very high90.3Very high0 Ų057.8 Ų57.80%030%0.304CS..EExtended strand (participates in β ladder)trans-66129171-179.60000109.7T58 S74 E75 M76V48-T58 HydrophobicContact CG1-CG2 4.04Å; V48-T58 HydrophobicContact CG2-CG2 3.94Å; V48-S74 WeakPolarHBondContact CG2-O 3.18Å; V48-E75 WeakPolarHBondContact CB-O 3.34Å; V48-E75 PolarHBondContact N-O 2.77Å; V48-M76 HydrophobicContact CB-CG 4.19Å; V48-M76 HydrophobicContact CG1-CE 4.46Å; V48-M76 HydrophobicContact CG1-CG 4.24Å; V48-M76 WeakPolarHBondContact O-CA 3.41Å
49F95.3Very high90.6Very high127 Ų12757 Ų5756%0.55730%0.296SS*.EExtended strand (participates in β ladder)trans-94.8-43.5164-179.4-111000111R47 I59 I61R47-F49 PolarHBondContact O-N 2.89Å; F49-I59 HydrophobicContact CB-CG2 4.21Å; F49-I59 HydrophobicContact CD1-CG2 4.12Å; F49-I59 PolarHBondContact N-O 3.35Å; F49-I61 HydrophobicContact CB-CD1 3.82Å; F49-I61 HydrophobicContact CB-CG1 3.95Å; F49-I61 HydrophobicContact CB-CG2 3.98Å; F49-I61 HydrophobicContact CD2-CD1 3.61Å; F49-I61 HydrophobicContact CG-CD1 4.04Å; F49-I61 HydrophobicContact CG-CG2 4.42Å
50S93.3Very high90.9Very high49 Ų4958.8 Ų58.834%0.34331%0.308SS..EExtended strand (participates in β ladder)trans-139.6133.7171.4-177.80000109.6I59S50-I59 PolarHBondContact N-O 3.11Å; S50-I59 PolarHBondContact O-N 3.49Å
51H92.1Very high91.2Very high30 Ų3060.1 Ų60.114%0.13931%0.313CS..  trans-62.9161168.7-59.6-71.3000110.9Y32 W34Y32-H51 AromaticContact CE2-ND1 3.59Å; Y32-H51 AromaticContact CZ-ND1 3.63Å; Y32-H51 PolarHBondContact OH-ND1 2.91Å; W34-H51 VanDerWaalsContact CD1-CB 3.41Å; W34-H51 AromaticContact CD1-CG 3.97Å; W34-H51 HydrophobicContact CD2-CB 3.97Å; W34-H51 AromaticContact CD2-CD2 3.8Å; W34-H51 AromaticContact CD2-CG 3.64Å; W34-H51 AromaticContact CD2-ND1 3.93Å; W34-H51 AromaticContact CE2-CD2 3.37Å; W34-H51 AromaticContact CE2-CG 3.55Å; W34-H51 AromaticContact CE3-CE1 3.99Å; W34-H51 HydrophobicContact CG-CB 3.77Å; W34-H51 AromaticContact CG-CG 3.93Å; W34-H51 AromaticContact CH2-CD2 3.66Å; W34-H51 AromaticContact CH2-NE2 3.6Å; W34-H51 AromaticContact CZ2-CD2 3.31Å; W34-H51 WeakPolarHBondContact CZ2-CD2 3.28Å; W34-H51 AromaticContact CZ2-CG 3.99Å; W34-H51 AromaticContact CZ2-NE2 3.79Å; W34-H51 AromaticContact CZ3-NE2 3.73Å; W34-H51 AromaticContact NE1-CD2 3.86Å; W34-H51 AromaticContact NE1-CG 3.74Å
52C89.4Confident91.2Very high15 Ų1562.4 Ų62.410%0.10133%0.327CS..  trans-70.9163.117790.70000112.4C39 Q56C39-C52 WeakPolarHBondContact CA-SG 3.43Å; C39-C52 HydrophobicContact CB-CB 3.73Å; C39-C52 WeakPolarHBondContact CB-SG 3.28Å; C39-C52 WeakPolarHBondContact SG-CB 3.35Å; C39-C52 CovalentContact SG-SG 2.03Å; C39-C52 PolarHBondContact SG-SG 3.4Å; C52-Q56 CarbonylContact C-O 3.45Å; C52-Q56 VanDerWaalsContact CA-O 3.26Å; C52-Q56 WeakPolarHBondContact CA-O 3.35Å; C52-Q56 VanDerWaalsContact CB-O 3.28Å; C52-Q56 WeakPolarHBondContact CB-O 3.45Å
53N86.6Confident91.2Very high93 Ų9362.8 Ų62.850%0.49733%0.33SS..BIsolated β-bridgetrans-143.3172.4175.2-166.6-3.3000108.5S55 Q56N53-S55 PolarHBondContact O-N 2.97Å; N53-Q56 PolarHBondContact N-O 3.27Å; N53-Q56 PolarHBondContact O-N 3.42Å
54K79.5Confident91Very high185 Ų18565.4 Ų65.480%0.80434%0.342SS*.THydrogen-bonded Turntrans-55.8-13.4-172.8-60.3-179-178.7-179.60115.8
55S80.8Confident90.5Very high108 Ų10870.3 Ų70.376%0.75536%0.356SS*.THydrogen-bonded Turntrans-1323.2-179.556.70000114.7N53N53-S55 PolarHBondContact O-N 2.97Å
56Q84.5Confident90.2Very high122 Ų12274.1 Ų74.157%0.5738%0.376SS*.BIsolated β-bridgetrans-145.2128-176.2-72-176.4-29.200110.5C52 N53C52-Q56 CarbonylContact C-O 3.45Å; C52-Q56 VanDerWaalsContact CA-O 3.26Å; C52-Q56 WeakPolarHBondContact CA-O 3.35Å; C52-Q56 VanDerWaalsContact CB-O 3.28Å; C52-Q56 WeakPolarHBondContact CB-O 3.45Å; N53-Q56 PolarHBondContact N-O 3.27Å; N53-Q56 PolarHBondContact O-N 3.42Å
57D87Confident89.9Confident105 Ų10572.7 Ų72.756%0.56137%0.371SS*.PPolyproline II helixtrans-70.9168.2176-59-37.1000111.6I59D57-I59 PolarHBondContact O-N 2.88Å
58T90.9Very high89.7Confident19 Ų1970.4 Ų70.412%0.11736%0.362CS..PPolyproline II helixtrans-59.2127.8177.7-50.30000110.7C40 V48C40-T58 PolarHBondContact N-OG1 2.97Å; C40-T58 WeakPolarHBondContact O-CB 3.06Å; C40-T58 PolarHBondContact O-OG1 3.48Å; V48-T58 HydrophobicContact CG1-CG2 4.04Å; V48-T58 HydrophobicContact CG2-CG2 3.94Å
59I93.3Very high89.7Confident77 Ų7771.2 Ų71.240%0.39537%0.366SS..EExtended strand (participates in β ladder)trans-90.3119.8174.9-55.4179.8000108.6F49 S50 D57F49-I59 HydrophobicContact CB-CG2 4.21Å; F49-I59 HydrophobicContact CD1-CG2 4.12Å; F49-I59 PolarHBondContact N-O 3.35Å; S50-I59 PolarHBondContact N-O 3.11Å; S50-I59 PolarHBondContact O-N 3.49Å; D57-I59 PolarHBondContact O-N 2.88Å
60C95.3Very high89.5Confident37 Ų3767.1 Ų67.125%0.2535%0.352CS..EExtended strand (participates in β ladder)trans-108.9145.1-179.5-57.40000111.2C42 Q46 R47C42-C60 WeakPolarHBondContact CA-SG 3.33Å; C42-C60 HydrophobicContact CB-CB 3.74Å; C42-C60 WeakPolarHBondContact CB-SG 3.14Å; C42-C60 VanDerWaalsContact SG-CA 3.54Å; C42-C60 WeakPolarHBondContact SG-CB 3.3Å; C42-C60 CovalentContact SG-SG 2.03Å; C42-C60 PolarHBondContact SG-SG 3.48Å; Q46-C60 HydrophobicContact CB-CB 4.29Å; R47-C60 WeakPolarHBondContact O-CA 3.5Å
61I95.3Very high89.5Confident52 Ų5270 Ų7027%0.26736%0.363SS..EExtended strand (participates in β ladder)trans-138.5152.1175.759.8178.1000110.9Q46 R47 F49Q46-I61 CarbonylContact C-O 3.54Å; Q46-I61 WeakPolarHBondContact CA-O 3.37Å; Q46-I61 WeakPolarHBondContact CB-O 3.48Å; R47-I61 HydrophobicContact CG-CG1 4Å; R47-I61 PolarHBondContact N-O 2.86Å; R47-I61 VanDerWaalsContact NH2-CD1 3.31Å; R47-I61 PolarHBondContact O-N 3.23Å; F49-I61 HydrophobicContact CB-CD1 3.82Å; F49-I61 HydrophobicContact CB-CG1 3.95Å; F49-I61 HydrophobicContact CB-CG2 3.98Å; F49-I61 HydrophobicContact CD2-CD1 3.61Å; F49-I61 HydrophobicContact CG-CD1 4.04Å; F49-I61 HydrophobicContact CG-CG2 4.42Å
62D94.4Very high89.6Confident100 Ų10072 Ų7254%0.53537%0.37SS..EExtended strand (participates in β ladder)trans-64.5153-177.4-55.4-50.6000113.2Q46 L100Q46-D62 WeakPolarHBondContact CG-OD1 3.45Å; Q46-D62 PolarHBondContact NE2-OD1 2.93Å; D62-L100 HydrophobicContact CB-CD1 4.15Å
63C92.8Very high89.8Confident9 Ų971.8 Ų71.86%0.06137%0.368CS..PPolyproline II helixtrans-68.3151.7171.3-64.60000112.3G45 T67 C78 L100G45-C63 PolarHBondContact O-N 3.33Å; G45-C63 PolarHBondContact O-SG 3.39Å; G45-C63 VanDerWaalsContact O-SG 3.35Å; C63-T67 WeakPolarHBondContact CB-OG1 3.24Å; C63-C78 WeakPolarHBondContact CA-SG 3.46Å; C63-C78 HydrophobicContact CB-CB 3.78Å; C63-C78 WeakPolarHBondContact CB-SG 3.04Å; C63-C78 WeakPolarHBondContact SG-CB 3.24Å; C63-C78 CovalentContact SG-SG 2.03Å; C63-C78 PolarHBondContact SG-SG 3.23Å; C63-L100 HydrophobicContact CB-CB 4.19Å; C63-L100 HydrophobicContact CB-CD1 4.25Å; C63-L100 HydrophobicContact CB-CD2 4.06Å; C63-L100 HydrophobicContact CB-CG 4.39Å; C63-L100 WeakPolarHBondContact O-CD1 3.27Å
64N89.6Confident90.2Very high97 Ų9769.4 Ų69.452%0.51936%0.359SS..PPolyproline II helixtrans-67.5154.9168.1-65.2-6.9000110.1D66 T67N64-D66 WeakPolarHBondContact CB-OD1 3.13Å; N64-D66 PolarHBondContact O-N 2.85Å; N64-D66 VanDerWaalsContact O-N 3.1Å; N64-T67 HydrophobicContact CB-CG2 4.41Å; N64-T67 PolarHBondContact N-OG1 2.92Å; N64-T67 CarbonylContact O-C 3.52Å; N64-T67 WeakPolarHBondContact O-CA 3.46Å; N64-T67 PolarHBondContact O-N 3.46Å; N64-T67 PolarHBondContact O-OG1 2.89Å
65R83.8Confident90.9Very high135 Ų13565.9 Ų65.951%0.50935%0.345SS..THydrogen-bonded Turntrans-55-31.8-177.8-66.7177.9175.2-108.9-19.7114.5T67 K81 E98R65-T67 VanDerWaalsContact C-N 3.28Å; R65-K81 PolarHBondContact O-NZ 2.91Å; R65-E98 IonicContact CZ-OE1 2.63Å; R65-E98 IonicContact NH1-OE1 3.02Å; R65-E98 PolarHBondContact NH1-OE1 3.33Å; R65-E98 IonicContact NH2-OE1 2.65Å; R65-E98 PolarHBondContact NH2-OE1 3.34Å; R65-E98 IonicContact NH2-OE2 3.44Å
66D84.9Confident91.5Very high83 Ų8364.7 Ų64.744%0.44433%0.329SS..THydrogen-bonded Turntrans-84.3317769.4-51.5000113.9N64 K81N64-D66 WeakPolarHBondContact CB-OD1 3.13Å; N64-D66 PolarHBondContact O-N 2.85Å; N64-D66 VanDerWaalsContact O-N 3.1Å; D66-K81 WeakPolarHBondContact O-CB 3.37Å; D66-K81 PolarHBondContact O-N 2.92Å
67T89.4Confident92Very high18 Ų1866.8 Ų66.811%0.1134%0.336CS..EExtended strand (participates in β ladder)trans-130.2165.3-178.164.80000111.6C63 N64 R65 C78 I79 K81C63-T67 WeakPolarHBondContact CB-OG1 3.24Å; N64-T67 HydrophobicContact CB-CG2 4.41Å; N64-T67 PolarHBondContact N-OG1 2.92Å; N64-T67 CarbonylContact O-C 3.52Å; N64-T67 WeakPolarHBondContact O-CA 3.46Å; N64-T67 PolarHBondContact O-N 3.46Å; N64-T67 PolarHBondContact O-OG1 2.89Å; R65-T67 VanDerWaalsContact C-N 3.28Å; T67-C78 HydrophobicContact CG2-CB 4.49Å; T67-I79 CarbonylContact C-O 3.56Å; T67-I79 WeakPolarHBondContact CA-O 3.05Å; T67-I79 VanDerWaalsContact CB-O 3.22Å; T67-I79 WeakPolarHBondContact CB-O 3.49Å; T67-K81 VanDerWaalsContact O-CE 3.3Å; T67-K81 WeakPolarHBondContact O-CE 3.44Å
68Y91.1Very high92.3Very high18 Ų1862.8 Ų62.87%0.07132%0.316CS..EExtended strand (participates in β ladder)trans-150.8161.7179.470-71.9000110.8P70 C78 I79 K81 L100 R102 E103Y68-P70 HydrophobicContact CD2-CG 4.47Å; Y68-P70 HydrophobicContact CE2-CG 4.28Å; Y68-C78 WeakPolarHBondContact O-CB 3.18Å; Y68-I79 HydrophobicContact CD1-CB 4.06Å; Y68-I79 HydrophobicContact CD1-CG2 4.39Å; Y68-I79 VanDerWaalsContact CD1-O 3.28Å; Y68-I79 WeakPolarHBondContact CD1-O 3.14Å; Y68-I79 HydrophobicContact CE1-CB 3.7Å; Y68-I79 HydrophobicContact CE1-CG2 3.56Å; Y68-I79 HydrophobicContact CE2-CB 4.39Å; Y68-I79 HydrophobicContact CE2-CD1 4.27Å; Y68-I79 PolarHBondContact N-O 3.27Å; Y68-I79 WeakPolarHBondContact O-CB 3.05Å; Y68-I79 PolarHBondContact O-N 2.82Å; Y68-K81 HydrophobicContact CD1-CB 4.46Å; Y68-K81 HydrophobicContact CD1-CG 3.63Å; Y68-K81 HydrophobicContact CE1-CG 4.35Å; Y68-K81 HydrophobicContact CG-CG 4.39Å; Y68-L100 CarbonylContact C-O 3.56Å; Y68-L100 WeakPolarHBondContact CA-O 3.16Å; Y68-L100 WeakPolarHBondContact CB-O 3.36Å; Y68-R102 VanDerWaalsContact CD2-C 3.43Å; Y68-E103 HydrophobicContact CD2-CB 4.32Å; Y68-E103 HydrophobicContact CE1-CB 4.35Å; Y68-E103 HydrophobicContact CE1-CG 4.12Å; Y68-E103 HydrophobicContact CE2-CB 3.59Å; Y68-E103 HydrophobicContact CE2-CG 4.23Å; Y68-E103 VanDerWaalsContact OH-CD 3.23Å; Y68-E103 WeakPolarHBondContact OH-CG 3.41Å; Y68-E103 PolarHBondContact OH-OE2 3.13Å; Y68-E103 VanDerWaalsContact OH-OE2 3.12Å
69Q94.4Very high92.3Very high16 Ų1665.4 Ų65.48%0.07533%0.328CS..  trans-141.1107.6172.9-17859.343.500108.8P44 G45 Q46 D71 T73 L100P44-Q69 CarbonylContact C-O 3.42Å; P44-Q69 WeakPolarHBondContact CA-O 3.4Å; G45-Q69 PolarHBondContact N-O 2.83Å; Q46-Q69 WeakPolarHBondContact O-CG 3.31Å; Q69-D71 WeakPolarHBondContact CG-O 3.45Å; Q69-D71 PolarHBondContact NE2-O 2.77Å; Q69-D71 VanDerWaalsContact NE2-O 3.09Å; Q69-T73 HydrophobicContact CG-CG2 3.78Å; Q69-L100 PolarHBondContact N-O 2.79Å
70P92.1Very high92.1Very high41 Ų4169.2 Ų69.227%0.26634%0.342SS..  trans-77.5-37.1-171.628.5-32.9000114.1P44 Y68 I79 K101P44-P70 VanDerWaalsContact CB-O 3.27Å; P44-P70 WeakPolarHBondContact CB-O 3.46Å; P44-P70 VanDerWaalsContact CG-O 3.26Å; P44-P70 WeakPolarHBondContact CG-O 3.37Å; Y68-P70 HydrophobicContact CD2-CG 4.47Å; Y68-P70 HydrophobicContact CE2-CG 4.28Å; P70-I79 HydrophobicContact CG-CD1 4.24Å; P70-K101 VanDerWaalsContact CA-O 3.32Å; P70-K101 WeakPolarHBondContact CA-O 3.46Å
71D92.7Very high91.6Very high109 Ų10968.1 Ų68.158%0.58333%0.333SS*.SBendtrans-121.6166.4-171.2-59.1-69.8000111.8Q69 T73Q69-D71 WeakPolarHBondContact CG-O 3.45Å; Q69-D71 PolarHBondContact NE2-O 2.77Å; Q69-D71 VanDerWaalsContact NE2-O 3.09Å; D71-T73 PolarHBondContact O-N 2.7Å
72W94.1Very high91Very high73 Ų7370.6 Ų70.628%0.27734%0.342SS..  trans-59.8125.1177.9-7083.8000110.8K29 E30 K41 C42 P43K29-W72 HydrophobicContact CB-CH2 4.13Å; K29-W72 HydrophobicContact CB-CZ2 3.96Å; K29-W72 HydrophobicContact CD-CZ2 3.94Å; K29-W72 HydrophobicContact CG-CZ2 4.46Å; E30-W72 HydrophobicContact CB-CB 4.17Å; E30-W72 HydrophobicContact CB-CG 4.37Å; E30-W72 HydrophobicContact CG-CB 4.31Å; E30-W72 HydrophobicContact CG-CG 4.29Å; K41-W72 HydrophobicContact CB-CB 3.99Å; K41-W72 HydrophobicContact CB-CE3 4.25Å; K41-W72 HydrophobicContact CD-CB 3.87Å; K41-W72 VanDerWaalsContact CD-O 3.3Å; K41-W72 WeakPolarHBondContact CD-O 3.48Å; C42-W72 CarbonylContact O-C 3.42Å; C42-W72 VanDerWaalsContact O-CA 3.24Å; C42-W72 WeakPolarHBondContact O-CA 3.03Å; P43-W72 HydrophobicContact CB-CE3 4.22Å; P43-W72 HydrophobicContact CB-CH2 3.87Å; P43-W72 HydrophobicContact CB-CZ2 4.23Å; P43-W72 HydrophobicContact CB-CZ3 3.86Å
73T93.6Very high90.5Very high10 Ų1074 Ų746%0.06135%0.352CS..BIsolated β-bridgetrans-123.6146.8-165.5-1590000114.6K41 C42 Q46 Q69 D71 E75K41-T73 WeakPolarHBondContact CA-O 3.42Å; C42-T73 HydrophobicContact CB-CG2 4.08Å; C42-T73 PolarHBondContact N-O 3.48Å; C42-T73 PolarHBondContact O-N 2.87Å; Q46-T73 VanDerWaalsContact O-CG2 3.27Å; Q46-T73 WeakPolarHBondContact O-CG2 3.45Å; Q69-T73 HydrophobicContact CG-CG2 3.78Å; D71-T73 PolarHBondContact O-N 2.7Å; T73-E75 VanDerWaalsContact OG1-CB 3.3Å; T73-E75 WeakPolarHBondContact OG1-CB 3.38Å; T73-E75 PolarHBondContact OG1-N 3.43Å
74S94Very high90Very high44 Ų4474 Ų7431%0.30835%0.352SS..  trans-98.6-2.4162.149.30000112.4V48V48-S74 WeakPolarHBondContact CG2-O 3.18Å
75E94Very high89.9Confident111 Ų11172.4 Ų72.452%0.51934%0.344SS..  trans-73.9141.7-174.5-71.4-58.3144.200113.6V48 T73 K77V48-E75 WeakPolarHBondContact CB-O 3.34Å; V48-E75 PolarHBondContact N-O 2.77Å; T73-E75 VanDerWaalsContact OG1-CB 3.3Å; T73-E75 WeakPolarHBondContact OG1-CB 3.38Å; T73-E75 PolarHBondContact OG1-N 3.43Å; E75-K77 VanDerWaalsContact C-N 3.28Å; E75-K77 PolarHBondContact O-N 2.77Å
76M94.2Very high90.1Very high82 Ų8269.7 Ų69.740%0.40434%0.337SS..SBendtrans-81.1-3.7172.1-78.5-173.6160.900114R47 V48R47-M76 WeakPolarHBondContact CD-O 3.06Å; R47-M76 PolarHBondContact NH1-O 3Å; V48-M76 HydrophobicContact CB-CG 4.19Å; V48-M76 HydrophobicContact CG1-CE 4.46Å; V48-M76 HydrophobicContact CG1-CG 4.24Å; V48-M76 WeakPolarHBondContact O-CA 3.41Å
77K94.6Very high90.2Very high167 Ų16769.2 Ų69.273%0.72635%0.352SS*.SBendtrans-134.7135.8-175.9-64.1175.6-175.8170.70109.9E75E75-K77 VanDerWaalsContact C-N 3.28Å; E75-K77 PolarHBondContact O-N 2.77Å
78C93.8Very high90.1Very high20 Ų2073.3 Ų73.314%0.13537%0.368CS..PPolyproline II helixtrans-79.8155.6170.5-62.80000110.9C63 T67 Y68C63-C78 WeakPolarHBondContact CA-SG 3.46Å; C63-C78 HydrophobicContact CB-CB 3.78Å; C63-C78 WeakPolarHBondContact CB-SG 3.04Å; C63-C78 WeakPolarHBondContact SG-CB 3.24Å; C63-C78 CovalentContact SG-SG 2.03Å; C63-C78 PolarHBondContact SG-SG 3.23Å; T67-C78 HydrophobicContact CG2-CB 4.49Å; Y68-C78 WeakPolarHBondContact O-CB 3.18Å
79I91.9Very high89.9Confident75 Ų7572.8 Ų72.839%0.38537%0.368SS..EExtended strand (participates in β ladder)trans-69.9137.8176.5-48.3177.7000109.1T67 Y68 P70T67-I79 CarbonylContact C-O 3.56Å; T67-I79 WeakPolarHBondContact CA-O 3.05Å; T67-I79 VanDerWaalsContact CB-O 3.22Å; T67-I79 WeakPolarHBondContact CB-O 3.49Å; Y68-I79 HydrophobicContact CD1-CB 4.06Å; Y68-I79 HydrophobicContact CD1-CG2 4.39Å; Y68-I79 VanDerWaalsContact CD1-O 3.28Å; Y68-I79 WeakPolarHBondContact CD1-O 3.14Å; Y68-I79 HydrophobicContact CE1-CB 3.7Å; Y68-I79 HydrophobicContact CE1-CG2 3.56Å; Y68-I79 HydrophobicContact CE2-CB 4.39Å; Y68-I79 HydrophobicContact CE2-CD1 4.27Å; Y68-I79 PolarHBondContact N-O 3.27Å; Y68-I79 WeakPolarHBondContact O-CB 3.05Å; Y68-I79 PolarHBondContact O-N 2.82Å; P70-I79 HydrophobicContact CG-CD1 4.24Å
80K89.1Confident89.6Confident157 Ų15772.5 Ų72.568%0.68337%0.367SS*.EExtended strand (participates in β ladder)trans-78.6129.8178.5-169176.2-176.3178.50111
81K84.3Confident89.4Confident13 Ų1374.5 Ų74.56%0.05737%0.373CS..PPolyproline II helixtrans-63.6137.7176.1-67.8178.4175.8172.80110.4R65 D66 T67 Y68 F83 S97 D99R65-K81 PolarHBondContact O-NZ 2.91Å; D66-K81 WeakPolarHBondContact O-CB 3.37Å; D66-K81 PolarHBondContact O-N 2.92Å; T67-K81 VanDerWaalsContact O-CE 3.3Å; T67-K81 WeakPolarHBondContact O-CE 3.44Å; Y68-K81 HydrophobicContact CD1-CB 4.46Å; Y68-K81 HydrophobicContact CD1-CG 3.63Å; Y68-K81 HydrophobicContact CE1-CG 4.35Å; Y68-K81 HydrophobicContact CG-CG 4.39Å; K81-F83 PolarHBondContact O-N 2.85Å; K81-S97 PolarHBondContact NZ-O 2.91Å; K81-S97 VanDerWaalsContact NZ-O 3.07Å; K81-D99 VanDerWaalsContact CE-O 3.24Å; K81-D99 WeakPolarHBondContact CE-O 3.2Å; K81-D99 PolarHBondContact NZ-O 2.84Å
82K81.9Confident88.8Confident105 Ų10576.1 Ų76.146%0.45738%0.375SS..PPolyproline II helixtrans-54.8136.9171.4-75.8179.4-174.8116.40110.9R93 E103K82-R93 PolarHBondContact O-NH1 2.85Å; K82-R93 PolarHBondContact O-NH2 3.45Å; K82-E103 WeakPolarHBondContact CD-OE1 3.35Å; K82-E103 WeakPolarHBondContact CE-OE1 3.47Å; K82-E103 WeakPolarHBondContact CG-OE1 3.5Å; K82-E103 IonicContact NZ-OE1 2.71Å; K82-E103 PolarHBondContact NZ-OE1 3.27Å; K82-E103 IonicContact NZ-OE2 2.72Å; K82-E103 PolarHBondContact NZ-OE2 2.84Å
83F83.1Confident87.9Confident171 Ų17175.5 Ų75.575%0.7537%0.373SS*.PPolyproline II helixtrans-82.5126.9173.7177.4-102000110.2K81 D85K81-F83 PolarHBondContact O-N 2.85Å; F83-D85 HydrophobicContact CD1-CB 4.28Å; F83-D85 HydrophobicContact CE1-CB 4.13Å; F83-D85 PolarHBondContact O-N 3.19Å
84C84.3Confident86.7Confident9 Ų981.2 Ų81.26%0.06140%0.403CS..  trans-89.899.5179.5-52.60000109.4E86 F90 M91 C106C84-E86 PolarHBondContact O-N 3.05Å; C84-F90 HydrophobicContact CB-CB 3.96Å; C84-F90 HydrophobicContact CB-CG 4.48Å; C84-M91 WeakPolarHBondContact CB-O 3.05Å; C84-C106 WeakPolarHBondContact CA-SG 3.43Å; C84-C106 HydrophobicContact CB-CB 3.73Å; C84-C106 WeakPolarHBondContact CB-SG 3.39Å; C84-C106 VanDerWaalsContact SG-CA 3.55Å; C84-C106 WeakPolarHBondContact SG-CB 3.17Å; C84-C106 CovalentContact SG-SG 2.04Å; C84-C106 PolarHBondContact SG-SG 2.8Å
85D87.3Confident84.9Confident63 Ų6383.1 Ų83.134%0.33742%0.421SS..  trans-73.6111.7-175.4-174.5-11.6000111.6F83 G87 K88 F90F83-D85 HydrophobicContact CD1-CB 4.28Å; F83-D85 HydrophobicContact CE1-CB 4.13Å; F83-D85 PolarHBondContact O-N 3.19Å; D85-G87 PolarHBondContact O-N 3.45Å; D85-G87 WeakPolarHBondContact OD1-CA 3.04Å; D85-G87 PolarHBondContact OD1-N 3.45Å; D85-K88 HydrophobicContact CB-CB 4.14Å; D85-K88 HydrophobicContact CB-CD 4.2Å; D85-K88 HydrophobicContact CB-CG 4.02Å; D85-K88 PolarHBondContact O-N 2.98Å; D85-K88 VanDerWaalsContact O-N 3.07Å; D85-F90 WeakPolarHBondContact O-CB 3.25Å; D85-F90 WeakPolarHBondContact O-CD2 3.47Å; D85-F90 PolarHBondContact O-N 3.45Å
86E88Confident83.1Confident78 Ų7884.9 Ų84.936%0.36443%0.429SS..G310 helixtrans-62.2-25.8179.9-63.6-169.9-125.500113.2C84 G89 K92 K109C84-E86 PolarHBondContact O-N 3.05Å; E86-G89 PolarHBondContact O-N 3.15Å; E86-K92 HydrophobicContact CG-CB 4.21Å; E86-K92 WeakPolarHBondContact OE1-CG 3.48Å; E86-K92 IonicContact OE1-NZ 2.63Å; E86-K92 PolarHBondContact OE1-NZ 3.35Å; E86-K109 PolarHBondContact O-NZ 2.92Å
87G86.6Confident81.5Confident74 Ų7481.8 Ų81.876%0.76342%0.416SS*.G310 helixtrans-76.1-25175.900000113.4D85 G89D85-G87 PolarHBondContact O-N 3.45Å; D85-G87 WeakPolarHBondContact OD1-CA 3.04Å; D85-G87 PolarHBondContact OD1-N 3.45Å; G87-G89 PolarHBondContact O-N 3.34Å
88K87.2Confident80.1Confident103 Ų10379.2 Ų79.245%0.44841%0.406SS..G310 helixtrans-82.58.7168.7-66.3-171.3177.5-166.50113.5D85 F90 E120 C122D85-K88 HydrophobicContact CB-CB 4.14Å; D85-K88 HydrophobicContact CB-CD 4.2Å; D85-K88 HydrophobicContact CB-CG 4.02Å; D85-K88 PolarHBondContact O-N 2.98Å; D85-K88 VanDerWaalsContact O-N 3.07Å; K88-F90 HydrophobicContact CB-CD2 3.82Å; K88-F90 HydrophobicContact CB-CE2 3.82Å; K88-F90 HydrophobicContact CD-CE2 4.28Å; K88-E120 WeakPolarHBondContact CD-O 3.23Å; K88-C122 WeakPolarHBondContact O-CB 3.29Å; K88-C122 PolarHBondContact O-N 2.71Å; K88-C122 PolarHBondContact O-SG 2.88Å; K88-C122 VanDerWaalsContact O-SG 3.35Å
89G86.3Confident79.3Confident7 Ų780.8 Ų80.87%0.07241%0.413CS..THydrogen-bonded Turntrans85.74.8178.800000115.3E86 G87 K109 C122E86-G89 PolarHBondContact O-N 3.15Å; G87-G89 PolarHBondContact O-N 3.34Å; G89-K109 VanDerWaalsContact O-CB 3.26Å; G89-K109 WeakPolarHBondContact O-CB 3.38Å; G89-K109 WeakPolarHBondContact O-CD 3.36Å; G89-K109 WeakPolarHBondContact O-CG 3.48Å; G89-K109 PolarHBondContact O-N 2.85Å; G89-C122 PolarHBondContact O-SG 3.34Å
90F89.4Confident79Confident10 Ų1078.9 Ų78.94%0.04440%0.404CS..BIsolated β-bridgetrans-73.2152.5176.3-66-73.1000112.3C84 D85 K88 C106 Q107 K109 C119 E120 C122C84-F90 HydrophobicContact CB-CB 3.96Å; C84-F90 HydrophobicContact CB-CG 4.48Å; D85-F90 WeakPolarHBondContact O-CB 3.25Å; D85-F90 WeakPolarHBondContact O-CD2 3.47Å; D85-F90 PolarHBondContact O-N 3.45Å; K88-F90 HydrophobicContact CB-CD2 3.82Å; K88-F90 HydrophobicContact CB-CE2 3.82Å; K88-F90 HydrophobicContact CD-CE2 4.28Å; F90-C106 HydrophobicContact CD1-CB 3.43Å; F90-C106 VanDerWaalsContact CD1-CB 3.43Å; F90-C106 HydrophobicContact CE1-CB 3.73Å; F90-C106 HydrophobicContact CG-CB 3.99Å; F90-Q107 WeakPolarHBondContact CA-O 3.49Å; F90-K109 WeakPolarHBondContact O-CE 3.41Å; F90-K109 PolarHBondContact O-NZ 3.42Å; F90-C119 WeakPolarHBondContact CZ-O 3.08Å; F90-E120 WeakPolarHBondContact CE2-O 3.09Å; F90-C122 WeakPolarHBondContact CD1-SG 3.44Å; F90-C122 WeakPolarHBondContact CE1-SG 3.41Å; F90-C122 PolarHBondContact N-SG 2.66Å; F90-C122 VanDerWaalsContact N-SG 3.42Å
91M86.6Confident78.8Confident83 Ų8377.3 Ų77.341%0.40940%0.397SS..PPolyproline II helixtrans-70.8139.7164.6-66.4-174.863.400110.3C84 R93 Q107 K109C84-M91 WeakPolarHBondContact CB-O 3.05Å; M91-R93 PolarHBondContact O-N 3.49Å; M91-Q107 PolarHBondContact N-O 2.83Å; M91-K109 HydrophobicContact CG-CB 4.43Å; M91-K109 HydrophobicContact CG-CG 3.89Å
92K81.5Confident78.6Confident143 Ų14385 Ų8562%0.62243%0.425SS*.PPolyproline II helixtrans-61.5120.6169.7-164.3-167.4-150.381.90108.8E86 N94E86-K92 HydrophobicContact CG-CB 4.21Å; E86-K92 WeakPolarHBondContact OE1-CG 3.48Å; E86-K92 IonicContact OE1-NZ 2.63Å; E86-K92 PolarHBondContact OE1-NZ 3.35Å; K92-N94 PolarHBondContact O-N 3.2Å
93R74.4Confident78.4Confident61 Ų6183.3 Ų83.323%0.2342%0.419CS..PPolyproline II helixtrans-60.4135.2173.4-174.8-173.8-73.4114.10.2109.4K82 M91 A95 S97 E104K82-R93 PolarHBondContact O-NH1 2.85Å; K82-R93 PolarHBondContact O-NH2 3.45Å; M91-R93 PolarHBondContact O-N 3.49Å; R93-A95 PolarHBondContact O-N 3.25Å; R93-S97 WeakPolarHBondContact CD-OG 3.41Å; R93-E104 WeakPolarHBondContact CD-OE2 3.26Å; R93-E104 WeakPolarHBondContact CG-OE2 3.46Å; R93-E104 IonicContact NE-OE2 2.74Å; R93-E104 PolarHBondContact NE-OE2 3.35Å; R93-E104 PolarHBondContact NH2-O 2.78Å
94N67.7Low77.9Confident130 Ų13078 Ų7870%0.69540%0.397SS*.PPolyproline II helixtrans-59.4132.9175.4-70.7-25.8000110.5K92 H96 S97K92-N94 PolarHBondContact O-N 3.2Å; N94-H96 PolarHBondContact O-N 3.28Å; N94-S97 WeakPolarHBondContact O-CB 2.96Å; N94-S97 PolarHBondContact O-N 2.92Å; N94-S97 PolarHBondContact O-OG 3.32Å
95A57.6Low77.6Confident83 Ų8381.6 Ų81.669%0.68641%0.413SS*.THydrogen-bonded Turntrans-65.9-5.3178.700000114.5R93R93-A95 PolarHBondContact O-N 3.25Å
96H55.9Low77.3Confident148 Ų14879.1 Ų79.169%0.68540%0.4SS*.THydrogen-bonded Turntrans-105.326.7173.1-64.2-89.4000112.4N94 E98N94-H96 PolarHBondContact O-N 3.28Å; H96-E98 VanDerWaalsContact O-CG 3.3Å; H96-E98 WeakPolarHBondContact O-CG 3.24Å; H96-E98 PolarHBondContact O-N 2.94Å
97S60.6Low77.2Confident17 Ų1782 Ų8212%0.11941%0.414CS..  trans-68.475.9166.954.40000110.6K81 R93 N94 D99 E104K81-S97 PolarHBondContact NZ-O 2.91Å; K81-S97 VanDerWaalsContact NZ-O 3.07Å; R93-S97 WeakPolarHBondContact CD-OG 3.41Å; N94-S97 WeakPolarHBondContact O-CB 2.96Å; N94-S97 PolarHBondContact O-N 2.92Å; N94-S97 PolarHBondContact O-OG 3.32Å; S97-D99 PolarHBondContact O-N 3.39Å; S97-E104 VanDerWaalsContact CB-OE1 3.22Å; S97-E104 WeakPolarHBondContact CB-OE1 3.46Å; S97-E104 VanDerWaalsContact CB-OE2 3.26Å; S97-E104 WeakPolarHBondContact CB-OE2 3.35Å
98E64.3Low77.3Confident114 Ų11479.5 Ų79.553%0.53338%0.384SS..  trans-80.32.1-173.3-49.3-121.9149.100112.7R65 H96 L100R65-E98 IonicContact CZ-OE1 2.63Å; R65-E98 IonicContact NH1-OE1 3.02Å; R65-E98 PolarHBondContact NH1-OE1 3.33Å; R65-E98 IonicContact NH2-OE1 2.65Å; R65-E98 PolarHBondContact NH2-OE1 3.34Å; R65-E98 IonicContact NH2-OE2 3.44Å; H96-E98 VanDerWaalsContact O-CG 3.3Å; H96-E98 WeakPolarHBondContact O-CG 3.24Å; H96-E98 PolarHBondContact O-N 2.94Å; E98-L100 PolarHBondContact O-N 2.04Å
99D77.2Confident77.4Confident53 Ų5377.5 Ų77.528%0.28338%0.375SS..  trans-69.3104.6169.5-162.7-17.6000109.7K81 S97 K101 R102K81-D99 VanDerWaalsContact CE-O 3.24Å; K81-D99 WeakPolarHBondContact CE-O 3.2Å; K81-D99 PolarHBondContact NZ-O 2.84Å; S97-D99 PolarHBondContact O-N 3.39Å; D99-K101 VanDerWaalsContact OD1-CA 3.32Å; D99-K101 WeakPolarHBondContact OD1-CA 3.46Å; D99-K101 WeakPolarHBondContact OD1-CB 3.44Å; D99-K101 PolarHBondContact OD1-N 3.41Å; D99-R102 PolarHBondContact OD1-N 2.96Å
100L85.3Confident77.4Confident34 Ų3482.6 Ų82.618%0.17841%0.407CS..  trans-91.4-3171.9-59.5-179.7000112.1G45 D62 C63 Y68 Q69 E98G45-L100 WeakPolarHBondContact CA-O 3.37Å; D62-L100 HydrophobicContact CB-CD1 4.15Å; C63-L100 HydrophobicContact CB-CB 4.19Å; C63-L100 HydrophobicContact CB-CD1 4.25Å; C63-L100 HydrophobicContact CB-CD2 4.06Å; C63-L100 HydrophobicContact CB-CG 4.39Å; C63-L100 WeakPolarHBondContact O-CD1 3.27Å; Y68-L100 CarbonylContact C-O 3.56Å; Y68-L100 WeakPolarHBondContact CA-O 3.16Å; Y68-L100 WeakPolarHBondContact CB-O 3.36Å; Q69-L100 PolarHBondContact N-O 2.79Å; E98-L100 PolarHBondContact O-N 2.04Å
101K86.3Confident77.3Confident124 Ų12483.3 Ų83.354%0.53942%0.417SS..SBendtrans-108.3-1.6-169-51.4-171.7178.4-178.60113.3P44 P70 D99P44-K101 HydrophobicContact CB-CB 4.33Å; P44-K101 HydrophobicContact CB-CD 4.35Å; P44-K101 HydrophobicContact CB-CG 4.34Å; P44-K101 VanDerWaalsContact O-CE 3.27Å; P44-K101 WeakPolarHBondContact O-CE 3.3Å; P70-K101 VanDerWaalsContact CA-O 3.32Å; P70-K101 WeakPolarHBondContact CA-O 3.46Å; D99-K101 VanDerWaalsContact OD1-CA 3.32Å; D99-K101 WeakPolarHBondContact OD1-CA 3.46Å; D99-K101 WeakPolarHBondContact OD1-CB 3.44Å; D99-K101 PolarHBondContact OD1-N 3.41Å
102R79.8Confident77.3Confident175 Ų17582.9 Ų82.966%0.6641%0.413SS*.SBendtrans-145.3156.7-179.1-65-175.8174.4158.6-1.5112.2Y68 D99 E104Y68-R102 VanDerWaalsContact CD2-C 3.43Å; D99-R102 PolarHBondContact OD1-N 2.96Å; R102-E104 PolarHBondContact O-N 2.04Å
103E76.5Confident77.4Confident69 Ų6977 Ų7732%0.32239%0.387SS..  trans-80.4111.3164.2-161.6176.2176.100109.5Y68 K82 Q105Y68-E103 HydrophobicContact CD2-CB 4.32Å; Y68-E103 HydrophobicContact CE1-CB 4.35Å; Y68-E103 HydrophobicContact CE1-CG 4.12Å; Y68-E103 HydrophobicContact CE2-CB 3.59Å; Y68-E103 HydrophobicContact CE2-CG 4.23Å; Y68-E103 VanDerWaalsContact OH-CD 3.23Å; Y68-E103 WeakPolarHBondContact OH-CG 3.41Å; Y68-E103 PolarHBondContact OH-OE2 3.13Å; Y68-E103 VanDerWaalsContact OH-OE2 3.12Å; K82-E103 WeakPolarHBondContact CD-OE1 3.35Å; K82-E103 WeakPolarHBondContact CE-OE1 3.47Å; K82-E103 WeakPolarHBondContact CG-OE1 3.5Å; K82-E103 IonicContact NZ-OE1 2.71Å; K82-E103 PolarHBondContact NZ-OE1 3.27Å; K82-E103 IonicContact NZ-OE2 2.72Å; K82-E103 PolarHBondContact NZ-OE2 2.84Å; E103-Q105 PolarHBondContact O-N 3.06Å
104E73.1Confident77.9Confident59 Ų5976.3 Ų76.328%0.27639%0.392SS..  trans-75102.6168.6-71.9-178.4-175.600109.7R93 S97 R102R93-E104 WeakPolarHBondContact CD-OE2 3.26Å; R93-E104 WeakPolarHBondContact CG-OE2 3.46Å; R93-E104 IonicContact NE-OE2 2.74Å; R93-E104 PolarHBondContact NE-OE2 3.35Å; R93-E104 PolarHBondContact NH2-O 2.78Å; S97-E104 VanDerWaalsContact CB-OE1 3.22Å; S97-E104 WeakPolarHBondContact CB-OE1 3.46Å; S97-E104 VanDerWaalsContact CB-OE2 3.26Å; S97-E104 WeakPolarHBondContact CB-OE2 3.35Å; R102-E104 PolarHBondContact O-N 2.04Å
105Q77.4Confident78.1Confident85 Ų8571.1 Ų71.140%0.39736%0.364SS..PPolyproline II helixtrans-59.1138.4172.6-177.760.822.800110.8E103 F118E103-Q105 PolarHBondContact O-N 3.06Å; Q105-F118 PolarHBondContact NE2-O 3.38Å
106C82.4Confident78.7Confident11 Ų1169.7 Ų69.77%0.07435%0.347CS..PPolyproline II helixtrans-67.8135.1179.1-63.70000111.4C84 F90C84-C106 WeakPolarHBondContact CA-SG 3.43Å; C84-C106 HydrophobicContact CB-CB 3.73Å; C84-C106 WeakPolarHBondContact CB-SG 3.39Å; C84-C106 VanDerWaalsContact SG-CA 3.55Å; C84-C106 WeakPolarHBondContact SG-CB 3.17Å; C84-C106 CovalentContact SG-SG 2.04Å; C84-C106 PolarHBondContact SG-SG 2.8Å; F90-C106 HydrophobicContact CD1-CB 3.43Å; F90-C106 VanDerWaalsContact CD1-CB 3.43Å; F90-C106 HydrophobicContact CE1-CB 3.73Å; F90-C106 HydrophobicContact CG-CB 3.99Å
107Q85.3Confident78.9Confident140 Ų14069 Ų6965%0.65435%0.346SS*.PPolyproline II helixtrans-97.7138.2-179.2-64.4-178.6-1.200111.1F90 M91F90-Q107 WeakPolarHBondContact CA-O 3.49Å; M91-Q107 PolarHBondContact N-O 2.83Å
108C88.2Confident79.3Confident20 Ų2075.6 Ų75.614%0.13537%0.373CS..BIsolated β-bridgetrans-69.5142.1175.8-61.60000110.8F112 C114 C122C108-F112 HydrophobicContact CB-CB 4.32Å; C108-C114 WeakPolarHBondContact CB-SG 3.44Å; C108-C114 VanDerWaalsContact SG-CA 3.55Å; C108-C114 WeakPolarHBondContact SG-CB 3.48Å; C108-C114 CovalentContact SG-SG 2.04Å; C108-C114 PolarHBondContact SG-SG 2.04Å; C108-C122 HydrophobicContact CB-CB 3.86Å; C108-C122 PolarHBondContact SG-SG 2.91Å
109K89.8Confident79.9Confident62 Ų6271.3 Ų71.327%0.2736%0.355SS..PPolyproline II helixtrans-59152.4177-83.2164.7174.8159.30111.5E86 G89 F90 M91 G111 F112E86-K109 PolarHBondContact O-NZ 2.92Å; G89-K109 VanDerWaalsContact O-CB 3.26Å; G89-K109 WeakPolarHBondContact O-CB 3.38Å; G89-K109 WeakPolarHBondContact O-CD 3.36Å; G89-K109 WeakPolarHBondContact O-CG 3.48Å; G89-K109 PolarHBondContact O-N 2.85Å; F90-K109 WeakPolarHBondContact O-CE 3.41Å; F90-K109 PolarHBondContact O-NZ 3.42Å; M91-K109 HydrophobicContact CG-CB 4.43Å; M91-K109 HydrophobicContact CG-CG 3.89Å; K109-G111 PolarHBondContact O-N 2.74Å; K109-F112 HydrophobicContact CB-CD2 3.71Å; K109-F112 HydrophobicContact CB-CE2 4.19Å; K109-F112 HydrophobicContact CB-CG 4.35Å; K109-F112 WeakPolarHBondContact O-CA 3.44Å; K109-F112 VanDerWaalsContact O-CB 3.3Å; K109-F112 WeakPolarHBondContact O-CB 3.48Å; K109-F112 PolarHBondContact O-N 3.48Å
110P86.8Confident80.2Confident114 Ų11473.9 Ų73.974%0.7437%0.366SS*.THydrogen-bonded Turntrans-53.4133.1172.6-26.135.2000111.7F112P110-F112 VanDerWaalsContact C-N 3.33Å
111G86Confident80.2Confident25 Ų2577.3 Ų77.326%0.25838%0.377SS..THydrogen-bonded Turntrans81.26.2-172.300000114.9K109 I125K109-G111 PolarHBondContact O-N 2.74Å; G111-I125 WeakPolarHBondContact O-CB 3.4Å; G111-I125 PolarHBondContact O-N 2.93Å
112F87.6Confident80.3Confident73 Ų7372 Ų7232%0.3236%0.355SS..EExtended strand (participates in β ladder)trans-118.2153.4171.3-64.4-110.1000110.9C108 K109 P110 C122 E123 K124C108-F112 HydrophobicContact CB-CB 4.32Å; K109-F112 HydrophobicContact CB-CD2 3.71Å; K109-F112 HydrophobicContact CB-CE2 4.19Å; K109-F112 HydrophobicContact CB-CG 4.35Å; K109-F112 WeakPolarHBondContact O-CA 3.44Å; K109-F112 VanDerWaalsContact O-CB 3.3Å; K109-F112 WeakPolarHBondContact O-CB 3.48Å; K109-F112 PolarHBondContact O-N 3.48Å; P110-F112 VanDerWaalsContact C-N 3.33Å; F112-C122 HydrophobicContact CB-CB 3.9Å; F112-C122 HydrophobicContact CD1-CB 4.17Å; F112-C122 HydrophobicContact CG-CB 4.39Å; F112-E123 CarbonylContact C-O 3.58Å; F112-E123 WeakPolarHBondContact CA-O 3.36Å; F112-E123 WeakPolarHBondContact CB-O 3.49Å; F112-E123 VanDerWaalsContact CD1-C 3.5Å; F112-K124 HydrophobicContact CD1-CB 4.21Å; F112-K124 HydrophobicContact CE1-CB 4.01Å; F112-K124 HydrophobicContact CZ-CB 4.44Å
113W83.4Confident80.6Confident19 Ų1968.1 Ų68.17%0.07234%0.344CS..EExtended strand (participates in β ladder)trans-127.1170.5172.571.8-69.8000109.5L115 C122 E123 I125 N142 K144W113-L115 HydrophobicContact CD2-CD1 3.67Å; W113-L115 VanDerWaalsContact CE2-CD1 3.5Å; W113-L115 HydrophobicContact CE3-CD1 3.74Å; W113-L115 HydrophobicContact CE3-CG 4.18Å; W113-L115 HydrophobicContact CG-CD1 4.4Å; W113-L115 HydrophobicContact CH2-CD1 3.45Å; W113-L115 VanDerWaalsContact CH2-CD1 3.45Å; W113-L115 HydrophobicContact CH2-CD2 3.47Å; W113-L115 VanDerWaalsContact CH2-CD2 3.47Å; W113-L115 HydrophobicContact CH2-CG 3.3Å; W113-L115 HydrophobicContact CZ2-CD1 3.43Å; W113-L115 VanDerWaalsContact CZ2-CD1 3.43Å; W113-L115 HydrophobicContact CZ2-CD2 3.73Å; W113-L115 HydrophobicContact CZ2-CG 3.76Å; W113-L115 HydrophobicContact CZ3-CD1 3.61Å; W113-L115 HydrophobicContact CZ3-CD2 4.24Å; W113-L115 HydrophobicContact CZ3-CG 3.55Å; W113-C122 CarbonylContact O-C 3.45Å; W113-C122 WeakPolarHBondContact O-CA 3.37Å; W113-E123 PolarHBondContact N-O 3.3Å; W113-E123 PolarHBondContact O-N 3.32Å; W113-I125 HydrophobicContact CB-CD1 4.35Å; W113-I125 HydrophobicContact CB-CG1 3.93Å; W113-I125 HydrophobicContact CG-CG1 4.09Å; W113-N142 HydrophobicContact CZ3-CB 4.44Å; W113-N142 WeakPolarHBondContact CZ3-O 3.3Å; W113-K144 HydrophobicContact CH2-CB 3.35Å; W113-K144 HydrophobicContact CH2-CD 3.77Å; W113-K144 HydrophobicContact CH2-CG 3.58Å; W113-K144 HydrophobicContact CZ2-CB 3.98Å; W113-K144 HydrophobicContact CZ2-CD 3.96Å; W113-K144 HydrophobicContact CZ2-CG 3.71Å; W113-K144 HydrophobicContact CZ3-CB 3.85Å; W113-K144 HydrophobicContact CZ3-CG 4.5Å
114C84.9Confident81.2Confident48 Ų4871 Ų7132%0.32436%0.356SS..EExtended strand (participates in β ladder)trans-116.5125.3-156.7-48.70000112.6C108 C119C108-C114 WeakPolarHBondContact CB-SG 3.44Å; C108-C114 VanDerWaalsContact SG-CA 3.55Å; C108-C114 WeakPolarHBondContact SG-CB 3.48Å; C108-C114 CovalentContact SG-SG 2.04Å; C108-C114 PolarHBondContact SG-SG 2.04Å; C114-C119 HydrophobicContact CB-CB 4.18Å; C114-C119 VanDerWaalsContact CB-SG 3.55Å
115L72.3Confident81.9Confident21 Ų2169.1 Ų69.111%0.1135%0.347CS..EExtended strand (participates in β ladder)trans-129160.9-176-65.879.5000113.5W113 E120 Y121 E123W113-L115 HydrophobicContact CD2-CD1 3.67Å; W113-L115 VanDerWaalsContact CE2-CD1 3.5Å; W113-L115 HydrophobicContact CE3-CD1 3.74Å; W113-L115 HydrophobicContact CE3-CG 4.18Å; W113-L115 HydrophobicContact CG-CD1 4.4Å; W113-L115 HydrophobicContact CH2-CD1 3.45Å; W113-L115 VanDerWaalsContact CH2-CD1 3.45Å; W113-L115 HydrophobicContact CH2-CD2 3.47Å; W113-L115 VanDerWaalsContact CH2-CD2 3.47Å; W113-L115 HydrophobicContact CH2-CG 3.3Å; W113-L115 HydrophobicContact CZ2-CD1 3.43Å; W113-L115 VanDerWaalsContact CZ2-CD1 3.43Å; W113-L115 HydrophobicContact CZ2-CD2 3.73Å; W113-L115 HydrophobicContact CZ2-CG 3.76Å; W113-L115 HydrophobicContact CZ3-CD1 3.61Å; W113-L115 HydrophobicContact CZ3-CD2 4.24Å; W113-L115 HydrophobicContact CZ3-CG 3.55Å; L115-E120 PolarHBondContact O-N 3.46Å; L115-E120 VanDerWaalsContact O-N 3.11Å; L115-Y121 HydrophobicContact CB-CD2 4.22Å; L115-Y121 HydrophobicContact CB-CE1 4.46Å; L115-Y121 HydrophobicContact CB-CE2 3.6Å; L115-Y121 HydrophobicContact CD2-CE2 4.17Å; L115-Y121 HydrophobicContact CG-CE2 4.32Å; L115-Y121 PolarHBondContact N-O 3.34Å; L115-Y121 PolarHBondContact O-N 2.91Å; L115-E123 HydrophobicContact CD1-CB 3.44Å; L115-E123 VanDerWaalsContact CD1-CB 3.44Å; L115-E123 WeakPolarHBondContact CD2-OE2 3.2Å
116P68.8Low82.6Confident53 Ų5367.3 Ų67.334%0.34434%0.343SS..THydrogen-bonded Turn-77.9179.9-52.336.6-32000109.1F118 C119P116-F118 VanDerWaalsContact C-N 3.29Å; P116-F118 PolarHBondContact O-N 3.02Å; P116-C119 PolarHBondContact O-N 3.24Å
117M61.8Low83.1Confident132 Ų13269.2 Ų69.265%0.6536%0.355SS*.THydrogen-bonded Turntrans27.8-66169.3-65.9-62.4-68.600118.9K141 N142M117-K141 HydrophobicContact SD-CB 4.47Å; M117-N142 PolarHBondContact N-ND2 2.96Å
118F67.8Low83.5Confident156 Ų15662.6 Ų62.668%0.68432%0.324SS*.THydrogen-bonded Turntrans-86.9-0.9-178.9-52.6-63.7000114.9Q105 P116 E120Q105-F118 PolarHBondContact NE2-O 3.38Å; P116-F118 VanDerWaalsContact C-N 3.29Å; P116-F118 PolarHBondContact O-N 3.02Å; F118-E120 HydrophobicContact CB-CG 4.18Å
119C78Confident83.9Confident25 Ų2566.3 Ų66.317%0.16934%0.339CS..THydrogen-bonded Turntrans58.966.2-178.7176.10000110.1F90 C114 P116F90-C119 WeakPolarHBondContact CZ-O 3.08Å; C114-C119 HydrophobicContact CB-CB 4.18Å; C114-C119 VanDerWaalsContact CB-SG 3.55Å; P116-C119 PolarHBondContact O-N 3.24Å
120E82Confident84.2Confident107 Ų10765.1 Ų65.150%0.534%0.338SS..  trans-91.3-23.7-174.7-64.4-169.6-174.300113.7K88 F90 L115 F118K88-E120 WeakPolarHBondContact CD-O 3.23Å; F90-E120 WeakPolarHBondContact CE2-O 3.09Å; L115-E120 PolarHBondContact O-N 3.46Å; L115-E120 VanDerWaalsContact O-N 3.11Å; F118-E120 HydrophobicContact CB-CG 4.18Å
121Y85.9Confident84.6Confident106 Ų10660 Ų6042%0.41631%0.306SS..EExtended strand (participates in β ladder)trans-150.6160.817357.4-87.3000110.8L115L115-Y121 HydrophobicContact CB-CD2 4.22Å; L115-Y121 HydrophobicContact CB-CE1 4.46Å; L115-Y121 HydrophobicContact CB-CE2 3.6Å; L115-Y121 HydrophobicContact CD2-CE2 4.17Å; L115-Y121 HydrophobicContact CG-CE2 4.32Å; L115-Y121 PolarHBondContact N-O 3.34Å; L115-Y121 PolarHBondContact O-N 2.91Å
122C88.2Confident85.1Confident12 Ų1263 Ų638%0.08131%0.312CS..EExtended strand (participates in β ladder)trans-110.5122177.9-33.20000109.5K88 G89 F90 C108 F112 W113K88-C122 WeakPolarHBondContact O-CB 3.29Å; K88-C122 PolarHBondContact O-N 2.71Å; K88-C122 PolarHBondContact O-SG 2.88Å; K88-C122 VanDerWaalsContact O-SG 3.35Å; G89-C122 PolarHBondContact O-SG 3.34Å; F90-C122 WeakPolarHBondContact CD1-SG 3.44Å; F90-C122 WeakPolarHBondContact CE1-SG 3.41Å; F90-C122 PolarHBondContact N-SG 2.66Å; F90-C122 VanDerWaalsContact N-SG 3.42Å; C108-C122 HydrophobicContact CB-CB 3.86Å; C108-C122 PolarHBondContact SG-SG 2.91Å; F112-C122 HydrophobicContact CB-CB 3.9Å; F112-C122 HydrophobicContact CD1-CB 4.17Å; F112-C122 HydrophobicContact CG-CB 4.39Å; W113-C122 CarbonylContact O-C 3.45Å; W113-C122 WeakPolarHBondContact O-CA 3.37Å
123E86.4Confident85.4Confident93 Ų9359.5 Ų59.544%0.43530%0.297SS..EExtended strand (participates in β ladder)trans-94.5147.2172.8-168.6172.7-153.800110.3F112 W113 L115 I125F112-E123 CarbonylContact C-O 3.58Å; F112-E123 WeakPolarHBondContact CA-O 3.36Å; F112-E123 WeakPolarHBondContact CB-O 3.49Å; F112-E123 VanDerWaalsContact CD1-C 3.5Å; W113-E123 PolarHBondContact N-O 3.3Å; W113-E123 PolarHBondContact O-N 3.32Å; L115-E123 HydrophobicContact CD1-CB 3.44Å; L115-E123 VanDerWaalsContact CD1-CB 3.44Å; L115-E123 WeakPolarHBondContact CD2-OE2 3.2Å; E123-I125 PolarHBondContact O-N 3.07Å
124K88.3Confident85.9Confident129 Ų12959.2 Ų59.256%0.56130%0.297SS*.EExtended strand (participates in β ladder)trans-66.7131.5176.5-170.5-169.2172.5-167.20109.4F112F112-K124 HydrophobicContact CD1-CB 4.21Å; F112-K124 HydrophobicContact CE1-CB 4.01Å; F112-K124 HydrophobicContact CZ-CB 4.44Å
125I89.3Confident86.2Confident20 Ų2060.7 Ų60.710%0.10330%0.299CS..PPolyproline II helixtrans-63.3129.8171.4-64.3170.9000108.1G111 W113 E123 L134 Q161G111-I125 WeakPolarHBondContact O-CB 3.4Å; G111-I125 PolarHBondContact O-N 2.93Å; W113-I125 HydrophobicContact CB-CD1 4.35Å; W113-I125 HydrophobicContact CB-CG1 3.93Å; W113-I125 HydrophobicContact CG-CG1 4.09Å; E123-I125 PolarHBondContact O-N 3.07Å; I125-L134 HydrophobicContact CG2-CD1 4.05Å; I125-L134 HydrophobicContact CG2-CD2 3.53Å; I125-L134 HydrophobicContact CG2-CG 4.46Å; I125-Q161 HydrophobicContact CG2-CB 4.31Å; I125-Q161 HydrophobicContact CG2-CG 4.11Å; I125-Q161 PolarHBondContact O-NE2 2.81Å
126P90.7Very high87Confident48 Ų4865.3 Ų65.331%0.31232%0.32SS..PPolyproline II helixtrans-64.8141.4178.827.2-34.4000110.7L134 K145P126-L134 HydrophobicContact CG-CD1 3.91Å; P126-K145 WeakPolarHBondContact CG-O 3.05Å
127T93Very high87.8Confident51 Ų5165.8 Ų65.831%0.31332%0.317SS..PPolyproline II helixtrans-84.9127.5167.4-11.80000108.5E159 N160 Q161T127-E159 WeakPolarHBondContact CB-OE1 3.48Å; T127-E159 HydrophobicContact CG2-CG 3.52Å; T127-N160 CarbonylContact C-O 3.44Å; T127-N160 WeakPolarHBondContact CA-O 3.5Å; T127-N160 WeakPolarHBondContact CG2-O 3.4Å; T127-Q161 HydrophobicContact CG2-CG 4.16Å
128C94.8Very high88.6Confident1 Ų164.5 Ų64.51%0.00733%0.328CS..BIsolated β-bridgetrans-91.6131.9-178-54.60000110.4F132 C147 E159 N160C128-F132 HydrophobicContact CB-CB 4.08Å; C128-C147 WeakPolarHBondContact CA-SG 3.11Å; C128-C147 HydrophobicContact CB-CB 3.73Å; C128-C147 WeakPolarHBondContact CB-SG 3.21Å; C128-C147 WeakPolarHBondContact SG-CA 3.04Å; C128-C147 WeakPolarHBondContact SG-CB 3.15Å; C128-C147 CovalentContact SG-SG 2.04Å; C128-C147 PolarHBondContact SG-SG 2.85Å; C128-E159 VanDerWaalsContact O-CA 3.26Å; C128-E159 WeakPolarHBondContact O-CA 3.45Å; C128-N160 PolarHBondContact N-O 2.8Å; C128-N160 PolarHBondContact O-N 3.18Å
129Q96.1Very high88.6Confident98 Ų9860.9 Ų60.946%0.45833%0.334SS..PPolyproline II helixtrans-71.1158.8178.5-71.2-62.8-38.200111.8G131 F132 E159Q129-G131 PolarHBondContact O-N 2.79Å; Q129-F132 HydrophobicContact CB-CD2 4.43Å; Q129-F132 WeakPolarHBondContact O-CA 3.33Å; Q129-F132 WeakPolarHBondContact O-CB 3.47Å; Q129-F132 PolarHBondContact O-N 2.94Å; Q129-E159 PolarHBondContact NE2-OE2 2.8Å
130P96.1Very high88.2Confident37 Ų3761.1 Ų61.124%0.2434%0.336CS..THydrogen-bonded Turntrans-53.1130.5175.3-25.434.2000112.1S156 Q184P130-S156 CarbonylContact C-O 3.53Å; P130-S156 VanDerWaalsContact CA-O 3.26Å; P130-S156 WeakPolarHBondContact CA-O 3.43Å; P130-Q184 HydrophobicContact CB-CG 4.25Å; P130-Q184 PolarHBondContact O-NE2 2.85Å
131G94.9Very high87.5Confident6 Ų664.9 Ų64.96%0.06235%0.351CS..THydrogen-bonded Turntrans98.4-11.8-169.200000114.2Q129 C150 S156 A183Q129-G131 PolarHBondContact O-N 2.79Å; G131-C150 PolarHBondContact O-N 3Å; G131-S156 PolarHBondContact N-O 2.94Å; G131-A183 VanDerWaalsContact CA-O 3.3Å; G131-A183 WeakPolarHBondContact CA-O 3.38Å
132F96.3Very high86.5Confident87 Ų8762.6 Ų62.638%0.38235%0.346SS..EExtended strand (participates in β ladder)trans-124.3148.5179.1-60.4-104.2000110.9C128 Q129 C147 V148 P149 S156C128-F132 HydrophobicContact CB-CB 4.08Å; Q129-F132 HydrophobicContact CB-CD2 4.43Å; Q129-F132 WeakPolarHBondContact O-CA 3.33Å; Q129-F132 WeakPolarHBondContact O-CB 3.47Å; Q129-F132 PolarHBondContact O-N 2.94Å; F132-C147 HydrophobicContact CB-CB 4.38Å; F132-V148 CarbonylContact C-O 3.58Å; F132-V148 WeakPolarHBondContact CA-O 3.42Å; F132-V148 WeakPolarHBondContact CB-O 3.02Å; F132-P149 HydrophobicContact CD1-CB 4.22Å; F132-P149 HydrophobicContact CE1-CB 4.04Å; F132-S156 WeakPolarHBondContact O-CB 3.21Å; F132-S156 PolarHBondContact O-OG 3.26Å
133G95.1Very high85.8Confident1 Ų162.8 Ų62.81%0.0135%0.35CS..EExtended strand (participates in β ladder)trans-132165.1173.600000111.5C147 V148 C164G133-C147 WeakPolarHBondContact O-CA 3.47Å; G133-V148 PolarHBondContact N-O 2.86Å; G133-V148 PolarHBondContact O-N 3.16Å; G133-C164 VanDerWaalsContact CA-SG 3.57Å; G133-C164 PolarHBondContact N-SG 3.38Å; G133-C164 VanDerWaalsContact N-SG 3.41Å
134L93.9Very high85.5Confident13 Ų1361.7 Ų61.77%0.06834%0.344CS..EExtended strand (participates in β ladder)trans-84.7112.8-177.2-162.672.2000110.7I125 P126 K145 Q161 E162 Q163I125-L134 HydrophobicContact CG2-CD1 4.05Å; I125-L134 HydrophobicContact CG2-CD2 3.53Å; I125-L134 HydrophobicContact CG2-CG 4.46Å; P126-L134 HydrophobicContact CG-CD1 3.91Å; L134-K145 HydrophobicContact CD1-CB 3.85Å; L134-K145 HydrophobicContact CD2-CB 4.22Å; L134-K145 HydrophobicContact CD2-CD 3.85Å; L134-K145 HydrophobicContact CG-CB 4.01Å; L134-K145 HydrophobicContact CG-CD 4.38Å; L134-Q161 HydrophobicContact CD2-CB 4.39Å; L134-Q161 WeakPolarHBondContact CD2-O 3.39Å; L134-E162 PolarHBondContact N-O 2.9Å; L134-Q163 WeakPolarHBondContact O-CG 3.41Å; L134-Q163 PolarHBondContact O-NE2 2.86Å; L134-Q163 VanDerWaalsContact O-NE2 3.16Å
135E91.4Very high85.5Confident79 Ų7959.4 Ų59.437%0.36933%0.334SS..EExtended strand (participates in β ladder)trans-121.3160.5175.5-157.9165.6148.400109.8I146 V148 K151E135-I146 PolarHBondContact N-O 2.86Å; E135-I146 PolarHBondContact O-N 3.45Å; E135-V148 HydrophobicContact CB-CG1 4.19Å; E135-V148 HydrophobicContact CB-CG2 3.49Å; E135-V148 VanDerWaalsContact CB-CG2 3.49Å; E135-V148 HydrophobicContact CG-CG2 4.41Å; E135-V148 WeakPolarHBondContact OE2-CG2 3.26Å; E135-K151 IonicContact OE1-NZ 2.88Å; E135-K151 PolarHBondContact OE1-NZ 3.22Å; E135-K151 IonicContact OE2-NZ 2.71Å; E135-K151 PolarHBondContact OE2-NZ 2.86Å
136E88.1Confident85.6Confident117 Ų11760.8 Ų60.855%0.54734%0.341SS..EExtended strand (participates in β ladder)trans-89.7132.2179.8-162.2165.1130.700109.8A138 G143E136-A138 PolarHBondContact O-N 3.2Å; E136-G143 WeakPolarHBondContact OE1-CA 3.14Å
137E85.4Confident85.8Confident64 Ų6460.7 Ų60.730%0.29934%0.341SS..  trans-67112.7-175.4-180170.9-104.200110.8G139 S140 K144 I146E137-G139 PolarHBondContact O-N 3.31Å; E137-S140 WeakPolarHBondContact O-CB 3.36Å; E137-S140 PolarHBondContact O-N 3.25Å; E137-K144 HydrophobicContact CB-CB 4.1Å; E137-K144 HydrophobicContact CB-CG 4.32Å; E137-K144 VanDerWaalsContact CB-O 3.29Å; E137-K144 WeakPolarHBondContact CB-O 3.26Å; E137-K144 PolarHBondContact N-O 2.94Å; E137-K144 IonicContact OE1-NZ 2.9Å; E137-K144 PolarHBondContact OE1-NZ 2.71Å; E137-K144 VanDerWaalsContact OE2-CD 3.27Å; E137-K144 WeakPolarHBondContact OE2-CD 3.33Å; E137-K144 WeakPolarHBondContact OE2-CG 3.41Å; E137-K144 IonicContact OE2-NZ 2.81Å; E137-K144 PolarHBondContact OE2-NZ 2.74Å; E137-I146 HydrophobicContact CB-CD1 3.93Å; E137-I146 HydrophobicContact CB-CG1 4.14Å; E137-I146 HydrophobicContact CB-CG2 4.33Å; E137-I146 HydrophobicContact CG-CD1 4.21Å
138A78.9Confident85.8Confident105 Ų10559.6 Ų59.687%0.86833%0.334SS*.THydrogen-bonded Turntrans-55.9125.6-178.100000111.6E136E136-A138 PolarHBondContact O-N 3.2Å
139G68.3Low85.9Confident79 Ų7963.7 Ų63.781%0.81436%0.361SS*.THydrogen-bonded Turntrans87.6-4.7-174.700000115.1E137 K141E137-G139 PolarHBondContact O-N 3.31Å; G139-K141 PolarHBondContact O-N 2.72Å; G139-K141 VanDerWaalsContact O-N 3.16Å
140S69.9Low85.9Confident31 Ų3159.8 Ų59.822%0.21734%0.344CS..  trans-68.8110.9175.6-171.80000111.7E137 N142 G143 K144E137-S140 WeakPolarHBondContact O-CB 3.36Å; E137-S140 PolarHBondContact O-N 3.25Å; S140-N142 PolarHBondContact O-N 3.34Å; S140-N142 PolarHBondContact OG-N 3.27Å; S140-G143 PolarHBondContact O-N 3.23Å; S140-K144 VanDerWaalsContact OG-CB 3.23Å; S140-K144 WeakPolarHBondContact OG-CB 3.32Å; S140-K144 PolarHBondContact OG-N 2.63Å; S140-K144 VanDerWaalsContact OG-N 3.14Å
141K65.7Low85.9Confident185 Ų18563.7 Ų63.780%0.80436%0.357SS*.THydrogen-bonded Turntrans-650.8173.3-62.5-178-179.3177.20113.7M117 G139M117-K141 HydrophobicContact SD-CB 4.47Å; G139-K141 PolarHBondContact O-N 2.72Å; G139-K141 VanDerWaalsContact O-N 3.16Å
142N65.2Low85.9Confident58 Ų5869.7 Ų69.731%0.3139%0.393SS..THydrogen-bonded Turntrans-132.35.6-169.5-50.8120.2000113.6W113 M117 S140W113-N142 HydrophobicContact CZ3-CB 4.44Å; W113-N142 WeakPolarHBondContact CZ3-O 3.3Å; M117-N142 PolarHBondContact N-ND2 2.96Å; S140-N142 PolarHBondContact O-N 3.34Å; S140-N142 PolarHBondContact OG-N 3.27Å
143G73.7Confident85.7Confident17 Ų1766.8 Ų66.818%0.17539%0.387CS..  trans67.540.1179.100000113.9E136 S140 K145E136-G143 WeakPolarHBondContact OE1-CA 3.14Å; S140-G143 PolarHBondContact O-N 3.23Å; G143-K145 WeakPolarHBondContact O-CG 3.09Å; G143-K145 PolarHBondContact O-N 2.85Å
144K81.1Confident85.8Confident70 Ų7070.1 Ų70.130%0.30440%0.402SS..  trans-62.8118.6-178.4176.2147.4158.5-83.50111.4W113 E137 S140 I146W113-K144 HydrophobicContact CH2-CB 3.35Å; W113-K144 HydrophobicContact CH2-CD 3.77Å; W113-K144 HydrophobicContact CH2-CG 3.58Å; W113-K144 HydrophobicContact CZ2-CB 3.98Å; W113-K144 HydrophobicContact CZ2-CD 3.96Å; W113-K144 HydrophobicContact CZ2-CG 3.71Å; W113-K144 HydrophobicContact CZ3-CB 3.85Å; W113-K144 HydrophobicContact CZ3-CG 4.5Å; E137-K144 HydrophobicContact CB-CB 4.1Å; E137-K144 HydrophobicContact CB-CG 4.32Å; E137-K144 VanDerWaalsContact CB-O 3.29Å; E137-K144 WeakPolarHBondContact CB-O 3.26Å; E137-K144 PolarHBondContact N-O 2.94Å; E137-K144 IonicContact OE1-NZ 2.9Å; E137-K144 PolarHBondContact OE1-NZ 2.71Å; E137-K144 VanDerWaalsContact OE2-CD 3.27Å; E137-K144 WeakPolarHBondContact OE2-CD 3.33Å; E137-K144 WeakPolarHBondContact OE2-CG 3.41Å; E137-K144 IonicContact OE2-NZ 2.81Å; E137-K144 PolarHBondContact OE2-NZ 2.74Å; S140-K144 VanDerWaalsContact OG-CB 3.23Å; S140-K144 WeakPolarHBondContact OG-CB 3.32Å; S140-K144 PolarHBondContact OG-N 2.63Å; S140-K144 VanDerWaalsContact OG-N 3.14Å; K144-I146 HydrophobicContact CG-CG2 4.11Å
145K87.3Confident85.9Confident80 Ų8071.7 Ų71.735%0.34841%0.407SS..EExtended strand (participates in β ladder)trans-91.4123.6-178.6-55.1-160.6177.2-167.80110.2P126 L134 G143P126-K145 WeakPolarHBondContact CG-O 3.05Å; L134-K145 HydrophobicContact CD1-CB 3.85Å; L134-K145 HydrophobicContact CD2-CB 4.22Å; L134-K145 HydrophobicContact CD2-CD 3.85Å; L134-K145 HydrophobicContact CG-CB 4.01Å; L134-K145 HydrophobicContact CG-CD 4.38Å; G143-K145 WeakPolarHBondContact O-CG 3.09Å; G143-K145 PolarHBondContact O-N 2.85Å
146I91.3Very high86.1Confident49 Ų4968.1 Ų68.125%0.25139%0.391SS..EExtended strand (participates in β ladder)trans-126.6152.9-177.154.9167.8000110.1E135 E137 K144 V148E135-I146 PolarHBondContact N-O 2.86Å; E135-I146 PolarHBondContact O-N 3.45Å; E137-I146 HydrophobicContact CB-CD1 3.93Å; E137-I146 HydrophobicContact CB-CG1 4.14Å; E137-I146 HydrophobicContact CB-CG2 4.33Å; E137-I146 HydrophobicContact CG-CD1 4.21Å; K144-I146 HydrophobicContact CG-CG2 4.11Å; I146-V148 HydrophobicContact CD1-CG1 3.89Å; I146-V148 HydrophobicContact CG1-CG1 3.99Å
147C94.6Very high86.4Confident46 Ų4665 Ų6531%0.31139%0.385SS..EExtended strand (participates in β ladder)trans-89.2116.6174.5-64.80000109.7C128 F132 G133C128-C147 WeakPolarHBondContact CA-SG 3.11Å; C128-C147 HydrophobicContact CB-CB 3.73Å; C128-C147 WeakPolarHBondContact CB-SG 3.21Å; C128-C147 WeakPolarHBondContact SG-CA 3.04Å; C128-C147 WeakPolarHBondContact SG-CB 3.15Å; C128-C147 CovalentContact SG-SG 2.04Å; C128-C147 PolarHBondContact SG-SG 2.85Å; F132-C147 HydrophobicContact CB-CB 4.38Å; G133-C147 WeakPolarHBondContact O-CA 3.47Å
148V94.9Very high86.7Confident29 Ų2969.4 Ų69.418%0.17640%0.403CS..EExtended strand (participates in β ladder)trans-113.9148.6-179.4-590000110.2F132 G133 E135 I146F132-V148 CarbonylContact C-O 3.58Å; F132-V148 WeakPolarHBondContact CA-O 3.42Å; F132-V148 WeakPolarHBondContact CB-O 3.02Å; G133-V148 PolarHBondContact N-O 2.86Å; G133-V148 PolarHBondContact O-N 3.16Å; E135-V148 HydrophobicContact CB-CG1 4.19Å; E135-V148 HydrophobicContact CB-CG2 3.49Å; E135-V148 VanDerWaalsContact CB-CG2 3.49Å; E135-V148 HydrophobicContact CG-CG2 4.41Å; E135-V148 WeakPolarHBondContact OE2-CG2 3.26Å; I146-V148 HydrophobicContact CD1-CG1 3.89Å; I146-V148 HydrophobicContact CG1-CG1 3.99Å
149P96.3Very high87.4Confident87 Ų8769.6 Ų69.657%0.56539%0.386SS*.EExtended strand (participates in β ladder)trans-64.5140.2177.127.4-34.8000110.8F132 K151F132-P149 HydrophobicContact CD1-CB 4.22Å; F132-P149 HydrophobicContact CE1-CB 4.04Å; P149-K151 PolarHBondContact O-N 2.83Å
150C96.3Very high88.5Confident15 Ų1567 Ų6710%0.10135%0.354CS..PPolyproline II helixtrans-66.7125.3179.9-62.80000111.3G131 F154 C164 A183G131-C150 PolarHBondContact O-N 3Å; C150-F154 HydrophobicContact CB-CB 4.41Å; C150-C164 WeakPolarHBondContact CA-SG 3.36Å; C150-C164 HydrophobicContact CB-CB 3.77Å; C150-C164 WeakPolarHBondContact CB-SG 3.3Å; C150-C164 WeakPolarHBondContact SG-CB 3.2Å; C150-C164 CovalentContact SG-SG 2.04Å; C150-C164 PolarHBondContact SG-SG 3.31Å; C150-A183 HydrophobicContact CB-CB 4.19Å
151K95.8Very high89.5Confident119 Ų11969.1 Ų69.152%0.51736%0.36SS..PPolyproline II helixtrans-64150.3175.7-65.1148.9-177.3156.30109.9E135 P149 G153 F154E135-K151 IonicContact OE1-NZ 2.88Å; E135-K151 PolarHBondContact OE1-NZ 3.22Å; E135-K151 IonicContact OE2-NZ 2.71Å; E135-K151 PolarHBondContact OE2-NZ 2.86Å; P149-K151 PolarHBondContact O-N 2.83Å; K151-G153 PolarHBondContact O-N 3.07Å; K151-F154 HydrophobicContact CB-CD2 4.36Å; K151-F154 WeakPolarHBondContact O-CB 3.39Å; K151-F154 PolarHBondContact O-N 3.41Å
152T93.9Very high90.7Very high132 Ų13264.6 Ų64.681%0.8134%0.342SS*.THydrogen-bonded Turntrans-52.3133.9175.9-50.50000110.7W167T152-W167 HydrophobicContact CG2-CH2 3.84Å; T152-W167 HydrophobicContact CG2-CZ3 4.12Å
153G93.3Very high92.1Very high26 Ų2668.3 Ų68.327%0.26836%0.357SS..THydrogen-bonded Turntrans95-7.3-168.900000114.2K151 E166 W167K151-G153 PolarHBondContact O-N 3.07Å; G153-E166 CarbonylContact O-C 3.54Å; G153-E166 WeakPolarHBondContact O-CA 3.22Å; G153-W167 VanDerWaalsContact CA-CE3 3.45Å; G153-W167 VanDerWaalsContact N-CH2 3.31Å; G153-W167 PolarHBondContact O-N 2.82Å
154F96Very high93.2Very high72 Ų7268.8 Ų68.832%0.31636%0.358SS..EExtended strand (participates in β ladder)trans-131.1156.3-179.3-59.9-105.5000113.1C150 K151 C164 K165 E166 W167C150-F154 HydrophobicContact CB-CB 4.41Å; K151-F154 HydrophobicContact CB-CD2 4.36Å; K151-F154 WeakPolarHBondContact O-CB 3.39Å; K151-F154 PolarHBondContact O-N 3.41Å; F154-C164 HydrophobicContact CB-CB 3.74Å; F154-C164 HydrophobicContact CD1-CB 4.44Å; F154-C164 HydrophobicContact CG-CB 4.47Å; F154-K165 CarbonylContact C-O 3.4Å; F154-K165 WeakPolarHBondContact CA-O 3.22Å; F154-K165 WeakPolarHBondContact CB-O 3.09Å; F154-E166 HydrophobicContact CD1-CG 3.82Å; F154-E166 HydrophobicContact CE1-CB 4.46Å; F154-E166 HydrophobicContact CE1-CG 3.35Å; F154-E166 HydrophobicContact CZ-CG 3.85Å; F154-W167 VanDerWaalsContact C-NE1 3.3Å; F154-W167 PolarHBondContact O-NE1 3.13Å; F154-W167 VanDerWaalsContact O-NE1 3.13Å
155Y95.6Very high93.9Very high45 Ų4570 Ų7018%0.17636%0.363CS..EExtended strand (participates in β ladder)trans-140.7159.3178.878.5-72.9000114.3A157 C164 K165 E166 W167 S182 A183 D186Y155-A157 HydrophobicContact CD2-CB 3.93Å; Y155-A157 HydrophobicContact CE2-CB 3.96Å; Y155-C164 CarbonylContact O-C 3.49Å; Y155-C164 WeakPolarHBondContact O-CA 3.24Å; Y155-K165 HydrophobicContact CD1-CB 4.18Å; Y155-K165 WeakPolarHBondContact CD1-O 3.46Å; Y155-K165 HydrophobicContact CE1-CB 3.86Å; Y155-K165 PolarHBondContact N-O 3.32Å; Y155-K165 PolarHBondContact O-N 2.9Å; Y155-E166 WeakPolarHBondContact CE1-O 3.28Å; Y155-W167 AromaticContact CD1-CD1 3.76Å; Y155-S182 WeakPolarHBondContact CB-O 3.39Å; Y155-A183 CarbonylContact C-O 3.52Å; Y155-A183 VanDerWaalsContact CA-O 3.28Å; Y155-A183 WeakPolarHBondContact CA-O 3.35Å; Y155-D186 HydrophobicContact CD1-CB 4.31Å; Y155-D186 HydrophobicContact CD2-CB 4.34Å; Y155-D186 HydrophobicContact CE1-CB 3.81Å; Y155-D186 HydrophobicContact CE2-CB 3.82Å; Y155-D186 PolarHBondContact OH-OD2 3.48Å
156S96.8Very high94.3Very high4 Ų473.1 Ų73.13%0.02838%0.379CS..  trans-139.5111.8165.1-177.70000109P130 G131 F132 A183P130-S156 CarbonylContact C-O 3.53Å; P130-S156 VanDerWaalsContact CA-O 3.26Å; P130-S156 WeakPolarHBondContact CA-O 3.43Å; G131-S156 PolarHBondContact N-O 2.94Å; F132-S156 WeakPolarHBondContact O-CB 3.21Å; F132-S156 PolarHBondContact O-OG 3.26Å; S156-A183 PolarHBondContact N-O 3.48Å
157A94.1Very high94.5Very high51 Ų5174.2 Ų74.242%0.42138%0.38SS..  trans-96.9-3.5-168.500000115.5Y155 Q184Y155-A157 HydrophobicContact CD2-CB 3.93Å; Y155-A157 HydrophobicContact CE2-CB 3.96Å; A157-Q184 VanDerWaalsContact CA-O 3.25Å; A157-Q184 WeakPolarHBondContact CA-O 3.35Å; A157-Q184 WeakPolarHBondContact CB-O 3.49Å
158K92.8Very high94.5Very high157 Ų15774.4 Ų74.468%0.68338%0.379SS*.SBendtrans-147.2154.3-176.9-66.3-174.1-179.6179.10109.6N160K158-N160 PolarHBondContact O-N 2.96Å; K158-N160 VanDerWaalsContact O-N 3.15Å
159E93.7Very high94.4Very high109 Ų10977.6 Ų77.651%0.50940%0.396SS..SBendtrans-63.4114.5168.3-180174169.900109.8T127 C128 Q129T127-E159 WeakPolarHBondContact CB-OE1 3.48Å; T127-E159 HydrophobicContact CG2-CG 3.52Å; C128-E159 VanDerWaalsContact O-CA 3.26Å; C128-E159 WeakPolarHBondContact O-CA 3.45Å; Q129-E159 PolarHBondContact NE2-OE2 2.8Å
160N89.8Confident94.2Very high25 Ų2573.7 Ų73.713%0.13437%0.37CS..BIsolated β-bridgetrans-150.5-179.2-175.368.822.7000112.3T127 C128 K158 E162T127-N160 CarbonylContact C-O 3.44Å; T127-N160 WeakPolarHBondContact CA-O 3.5Å; T127-N160 WeakPolarHBondContact CG2-O 3.4Å; C128-N160 PolarHBondContact N-O 2.8Å; C128-N160 PolarHBondContact O-N 3.18Å; K158-N160 PolarHBondContact O-N 2.96Å; K158-N160 VanDerWaalsContact O-N 3.15Å; N160-E162 HydrophobicContact CB-CG 4.14Å; N160-E162 PolarHBondContact ND2-OE2 3.4Å; N160-E162 PolarHBondContact OD1-N 3.38Å
161Q91.3Very high93.8Very high76 Ų7680 Ų8036%0.35540%0.396SS..SBendtrans-111.629.2171-64.1-178.4-28.200110.9I125 T127 L134I125-Q161 HydrophobicContact CG2-CB 4.31Å; I125-Q161 HydrophobicContact CG2-CG 4.11Å; I125-Q161 PolarHBondContact O-NE2 2.81Å; T127-Q161 HydrophobicContact CG2-CG 4.16Å; L134-Q161 HydrophobicContact CD2-CB 4.39Å; L134-Q161 WeakPolarHBondContact CD2-O 3.39Å
162E91.6Very high93.5Very high89 Ų8978.3 Ų78.342%0.41640%0.404SS..SBendtrans-97.5161.9-177.5-55.2179.7120.100110.7L134 N160 K165L134-E162 PolarHBondContact N-O 2.9Å; N160-E162 HydrophobicContact CB-CG 4.14Å; N160-E162 PolarHBondContact ND2-OE2 3.4Å; N160-E162 PolarHBondContact OD1-N 3.38Å; E162-K165 IonicContact OE1-NZ 2.58Å; E162-K165 PolarHBondContact OE1-NZ 3.25Å; E162-K165 WeakPolarHBondContact OE2-CE 3.3Å; E162-K165 IonicContact OE2-NZ 2.64Å; E162-K165 PolarHBondContact OE2-NZ 3.01Å
163Q94.4Very high93.3Very high136 Ų13676 Ų7664%0.63638%0.384SS*.PPolyproline II helixtrans-75.6159.7168-42-156.3-84.900109.6L134 K165L134-Q163 WeakPolarHBondContact O-CG 3.41Å; L134-Q163 PolarHBondContact O-NE2 2.86Å; L134-Q163 VanDerWaalsContact O-NE2 3.16Å; Q163-K165 PolarHBondContact O-N 3.49Å
164C95.9Very high93Very high27 Ų2776.6 Ų76.618%0.18239%0.39CS..PPolyproline II helixtrans-60.5138.7172.1-570000110.2G133 C150 F154 Y155G133-C164 VanDerWaalsContact CA-SG 3.57Å; G133-C164 PolarHBondContact N-SG 3.38Å; G133-C164 VanDerWaalsContact N-SG 3.41Å; C150-C164 WeakPolarHBondContact CA-SG 3.36Å; C150-C164 HydrophobicContact CB-CB 3.77Å; C150-C164 WeakPolarHBondContact CB-SG 3.3Å; C150-C164 WeakPolarHBondContact SG-CB 3.2Å; C150-C164 CovalentContact SG-SG 2.04Å; C150-C164 PolarHBondContact SG-SG 3.31Å; F154-C164 HydrophobicContact CB-CB 3.74Å; F154-C164 HydrophobicContact CD1-CB 4.44Å; F154-C164 HydrophobicContact CG-CB 4.47Å; Y155-C164 CarbonylContact O-C 3.49Å; Y155-C164 WeakPolarHBondContact O-CA 3.24Å
165K95.4Very high92.7Very high95 Ų9576.5 Ų76.541%0.41339%0.389SS..EExtended strand (participates in β ladder)trans-98.7144-177.5-63.3176.8-178.9173.80109.6F154 Y155 E162 Q163F154-K165 CarbonylContact C-O 3.4Å; F154-K165 WeakPolarHBondContact CA-O 3.22Å; F154-K165 WeakPolarHBondContact CB-O 3.09Å; Y155-K165 HydrophobicContact CD1-CB 4.18Å; Y155-K165 WeakPolarHBondContact CD1-O 3.46Å; Y155-K165 HydrophobicContact CE1-CB 3.86Å; Y155-K165 PolarHBondContact N-O 3.32Å; Y155-K165 PolarHBondContact O-N 2.9Å; E162-K165 IonicContact OE1-NZ 2.58Å; E162-K165 PolarHBondContact OE1-NZ 3.25Å; E162-K165 WeakPolarHBondContact OE2-CE 3.3Å; E162-K165 IonicContact OE2-NZ 2.64Å; E162-K165 PolarHBondContact OE2-NZ 3.01Å; Q163-K165 PolarHBondContact O-N 3.49Å
166E95.8Very high92.4Very high146 Ų14676.2 Ų76.268%0.68239%0.394SS*.EExtended strand (participates in β ladder)trans-62.2145.8176.9-68.5175.6-169.700111.5G153 F154 Y155G153-E166 CarbonylContact O-C 3.54Å; G153-E166 WeakPolarHBondContact O-CA 3.22Å; F154-E166 HydrophobicContact CD1-CG 3.82Å; F154-E166 HydrophobicContact CE1-CB 4.46Å; F154-E166 HydrophobicContact CE1-CG 3.35Å; F154-E166 HydrophobicContact CZ-CG 3.85Å; Y155-E166 WeakPolarHBondContact CE1-O 3.28Å
167W95.6Very high92.1Very high72 Ų7280 Ų8027%0.27341%0.411SS..PPolyproline II helixtrans-67.7139.7172.5-64.5-26.4000111.4T152 G153 F154 Y155 N169 S182 D186 A187T152-W167 HydrophobicContact CG2-CH2 3.84Å; T152-W167 HydrophobicContact CG2-CZ3 4.12Å; G153-W167 VanDerWaalsContact CA-CE3 3.45Å; G153-W167 VanDerWaalsContact N-CH2 3.31Å; G153-W167 PolarHBondContact O-N 2.82Å; F154-W167 VanDerWaalsContact C-NE1 3.3Å; F154-W167 PolarHBondContact O-NE1 3.13Å; F154-W167 VanDerWaalsContact O-NE1 3.13Å; Y155-W167 AromaticContact CD1-CD1 3.76Å; W167-N169 PolarHBondContact O-N 3.49Å; W167-S182 PolarHBondContact NE1-O 3.34Å; W167-D186 WeakPolarHBondContact CA-OD1 3.3Å; W167-A187 HydrophobicContact CB-CB 4.49Å
168T94.6Very high92Very high50 Ų5084.2 Ų84.231%0.30742%0.42SS..  trans-61.5105.1175.1-690000110.7C170 D186 C189T168-C170 PolarHBondContact O-N 3.27Å; T168-C170 PolarHBondContact O-SG 2.87Å; T168-D186 WeakPolarHBondContact CB-OD1 3.43Å; T168-D186 WeakPolarHBondContact CB-OD2 3.48Å; T168-D186 PolarHBondContact N-OD1 3.11Å; T168-D186 PolarHBondContact OG1-OD1 3.34Å; T168-D186 PolarHBondContact OG1-OD2 2.96Å; T168-C189 VanDerWaalsContact CG2-SG 3.59Å
169N93.2Very high91.9Very high97 Ų9781.2 Ų81.252%0.51941%0.408SS..  trans-71.791.5179.5-172.3-24.9000111.8W167 K171 A172 Q173W167-N169 PolarHBondContact O-N 3.49Å; N169-K171 VanDerWaalsContact C-N 3.3Å; N169-K171 PolarHBondContact O-N 3.4Å; N169-K171 PolarHBondContact OD1-N 3.42Å; N169-A172 HydrophobicContact CB-CB 4.1Å; N169-A172 PolarHBondContact O-N 3.14Å; N169-A172 PolarHBondContact OD1-N 2.89Å; N169-Q173 PolarHBondContact O-N 3.18Å
170C92.3Very high91.8Very high4 Ų480.2 Ų80.23%0.02741%0.411CS..THydrogen-bonded Turntrans-62.4-34.7-179.7-56.80000113.4T168 Q173 G174 K175 E177 C189T168-C170 PolarHBondContact O-N 3.27Å; T168-C170 PolarHBondContact O-SG 2.87Å; C170-Q173 CarbonylContact O-C 3.57Å; C170-Q173 WeakPolarHBondContact O-CA 3.43Å; C170-Q173 WeakPolarHBondContact O-CB 3.06Å; C170-Q173 PolarHBondContact O-N 3.23Å; C170-Q173 VanDerWaalsContact O-N 3.07Å; C170-G174 PolarHBondContact O-N 2.8Å; C170-K175 CarbonylContact C-O 3.56Å; C170-K175 HydrophobicContact CB-CB 4.34Å; C170-K175 PolarHBondContact O-N 3.28Å; C170-E177 HydrophobicContact CB-CB 4.48Å; C170-C189 WeakPolarHBondContact CA-SG 3.46Å; C170-C189 HydrophobicContact CB-CB 3.77Å; C170-C189 WeakPolarHBondContact CB-SG 3.05Å; C170-C189 WeakPolarHBondContact SG-CA 3.17Å; C170-C189 WeakPolarHBondContact SG-CB 3.45Å; C170-C189 PolarHBondContact SG-N 3.01Å; C170-C189 CovalentContact SG-SG 2.04Å; C170-C189 PolarHBondContact SG-SG 3.3Å
171K88.9Confident92Very high149 Ų14979.6 Ų79.665%0.64841%0.41SS*.THydrogen-bonded Turntrans-65.6-41.6-179.5-66167.5-1721480110.9N169 Q173 G174 E177N169-K171 VanDerWaalsContact C-N 3.3Å; N169-K171 PolarHBondContact O-N 3.4Å; N169-K171 PolarHBondContact OD1-N 3.42Å; K171-Q173 PolarHBondContact O-N 3.43Å; K171-G174 PolarHBondContact O-N 3.35Å; K171-E177 WeakPolarHBondContact CE-OE2 3.36Å; K171-E177 IonicContact NZ-OE2 3.71Å; K171-E177 PolarHBondContact NZ-OE2 3.35Å
172A88.9Confident92.2Very high82 Ų8278.3 Ų78.368%0.67841%0.41SS*.THydrogen-bonded Turntrans-64-24.6172.700000113.4N169 G174N169-A172 HydrophobicContact CB-CB 4.1Å; N169-A172 PolarHBondContact O-N 3.14Å; N169-A172 PolarHBondContact OD1-N 2.89Å; A172-G174 VanDerWaalsContact C-N 3.32Å
173Q89.4Confident92.3Very high85 Ų8576 Ų7640%0.39741%0.406SS..THydrogen-bonded Turntrans-86.22.9172.8-62-179.735.500113.7N169 C170 K171 K175N169-Q173 PolarHBondContact O-N 3.18Å; C170-Q173 CarbonylContact O-C 3.57Å; C170-Q173 WeakPolarHBondContact O-CA 3.43Å; C170-Q173 WeakPolarHBondContact O-CB 3.06Å; C170-Q173 PolarHBondContact O-N 3.23Å; C170-Q173 VanDerWaalsContact O-N 3.07Å; K171-Q173 PolarHBondContact O-N 3.43Å; Q173-K175 HydrophobicContact CB-CD 4.07Å; Q173-K175 HydrophobicContact CB-CG 4.15Å; Q173-K175 PolarHBondContact O-N 2.95Å
174G87.3Confident92.3Very high37 Ų3775.2 Ų75.238%0.38140%0.402SS..THydrogen-bonded Turntrans64.622.8-17300000113.6C170 K171 A172 L192 V193C170-G174 PolarHBondContact O-N 2.8Å; K171-G174 PolarHBondContact O-N 3.35Å; A172-G174 VanDerWaalsContact C-N 3.32Å; G174-L192 CarbonylContact O-C 3.57Å; G174-L192 WeakPolarHBondContact O-CA 3.32Å; G174-V193 PolarHBondContact O-N 2.65Å
175K90.3Very high92.3Very high70 Ų7075.6 Ų75.630%0.30441%0.408SS..EExtended strand (participates in β ladder)trans-107.4152.9-178.4-67.5174.7-171.6166.40111.5C170 Q173 C189 L192C170-K175 CarbonylContact C-O 3.56Å; C170-K175 HydrophobicContact CB-CB 4.34Å; C170-K175 PolarHBondContact O-N 3.28Å; Q173-K175 HydrophobicContact CB-CD 4.07Å; Q173-K175 HydrophobicContact CB-CG 4.15Å; Q173-K175 PolarHBondContact O-N 2.95Å; K175-C189 HydrophobicContact CB-CB 4Å; K175-C189 HydrophobicContact CD-CB 3.67Å; K175-L192 HydrophobicContact CG-CD2 4.31Å
176S88.9Confident92.3Very high39 Ų3973 Ų7327%0.27340%0.398SS..EExtended strand (participates in β ladder)trans-66.8148169.546.40000110.1C189 G190 P191 V193S176-C189 CarbonylContact O-C 3.57Å; S176-C189 WeakPolarHBondContact O-CA 3.32Å; S176-G190 PolarHBondContact O-N 3.26Å; S176-G190 WeakPolarHBondContact OG-CA 3.41Å; S176-P191 PolarHBondContact N-O 3.44Å; S176-P191 WeakPolarHBondContact OG-CD 3.22Å; S176-P191 PolarHBondContact OG-O 3.44Å; S176-V193 VanDerWaalsContact N-CG2 3.35Å
177E90.8Very high92.2Very high83 Ų8366.5 Ų66.539%0.38837%0.369SS..EExtended strand (participates in β ladder)trans-90.5108.2171.6-169.3169.9-175.400106.9C170 K171C170-E177 HydrophobicContact CB-CB 4.48Å; K171-E177 WeakPolarHBondContact CE-OE2 3.36Å; K171-E177 IonicContact NZ-OE2 3.71Å; K171-E177 PolarHBondContact NZ-OE2 3.35Å
178K90.4Very high92.2Very high140 Ų14067.3 Ų67.361%0.60938%0.376SS*.EExtended strand (participates in β ladder)trans-82.8-39.1-176.6170.6179.6172-74.60111.2E188K178-E188 HydrophobicContact CB-CB 4.31Å; K178-E188 WeakPolarHBondContact CB-O 3.27Å; K178-E188 PolarHBondContact N-O 2.04Å; K178-E188 IonicContact NZ-OE2 2.76Å; K178-E188 PolarHBondContact NZ-OE2 2.83Å
179Q91.7Very high92.2Very high95 Ų9566.8 Ų66.844%0.44437%0.374SS..EExtended strand (participates in β ladder)trans-143.7128.9174.7-178.5172.8-27.700107.8A187 E188Q179-A187 CarbonylContact O-C 3.49Å; Q179-A187 WeakPolarHBondContact O-CA 3.26Å; Q179-E188 HydrophobicContact CB-CB 4.07Å; Q179-E188 HydrophobicContact CB-CG 4.29Å; Q179-E188 PolarHBondContact N-O 3.3Å; Q179-E188 PolarHBondContact O-N 2.04Å
180P92.1Very high92Very high87 Ų8762.9 Ų62.957%0.56536%0.357SS*.  trans-68.5152.917929.6-35.6000111.2
181G93.3Very high91.7Very high12 Ų1267.7 Ų67.712%0.12439%0.388CS..  trans-65.4160.3173.900000112.7
182S94.7Very high91.5Very high50 Ų5066.2 Ų66.235%0.3539%0.387SS..BIsolated β-bridgetrans-144.9172.1176.667.20000110.1Y155 W167 Q184 A185Y155-S182 WeakPolarHBondContact CB-O 3.39Å; W167-S182 PolarHBondContact NE1-O 3.34Å; S182-Q184 PolarHBondContact O-N 2.95Å; S182-Q184 VanDerWaalsContact O-N 3.09Å; S182-Q184 PolarHBondContact OG-N 2.65Å; S182-A185 PolarHBondContact N-O 2.63Å; S182-A185 PolarHBondContact O-N 3.36Å; S182-A185 PolarHBondContact OG-N 3.16Å; S182-A185 VanDerWaalsContact OG-N 3.08Å
183A94.4Very high90.7Very high39 Ų3966.8 Ų66.832%0.32238%0.382SS..THydrogen-bonded Turntrans-58.5-23.9174.600000113.2G131 C150 Y155 S156G131-A183 VanDerWaalsContact CA-O 3.3Å; G131-A183 WeakPolarHBondContact CA-O 3.38Å; C150-A183 HydrophobicContact CB-CB 4.19Å; Y155-A183 CarbonylContact C-O 3.52Å; Y155-A183 VanDerWaalsContact CA-O 3.28Å; Y155-A183 WeakPolarHBondContact CA-O 3.35Å; S156-A183 PolarHBondContact N-O 3.48Å
184Q95.3Very high90Very high120 Ų12068.8 Ų68.856%0.56140%0.399SS*.THydrogen-bonded Turntrans-106.1-10.1-175.6-70-174.7-17.400114.7P130 A157 S182P130-Q184 HydrophobicContact CB-CG 4.25Å; P130-Q184 PolarHBondContact O-NE2 2.85Å; A157-Q184 VanDerWaalsContact CA-O 3.25Å; A157-Q184 WeakPolarHBondContact CA-O 3.35Å; A157-Q184 WeakPolarHBondContact CB-O 3.49Å; S182-Q184 PolarHBondContact O-N 2.95Å; S182-Q184 VanDerWaalsContact O-N 3.09Å; S182-Q184 PolarHBondContact OG-N 2.65Å
185A94.4Very high89Confident36 Ų3668.8 Ų68.830%0.29840%0.399SS..BIsolated β-bridgetrans-152.2148.2-174.700000111.9S182S182-A185 PolarHBondContact N-O 2.63Å; S182-A185 PolarHBondContact O-N 3.36Å; S182-A185 PolarHBondContact OG-N 3.16Å; S182-A185 VanDerWaalsContact OG-N 3.08Å
186D96Very high87.8Confident41 Ų4171.4 Ų71.422%0.21942%0.424CS..PPolyproline II helixtrans-70.1163.2176.3-155-5.1000112Y155 W167 T168Y155-D186 HydrophobicContact CD1-CB 4.31Å; Y155-D186 HydrophobicContact CD2-CB 4.34Å; Y155-D186 HydrophobicContact CE1-CB 3.81Å; Y155-D186 HydrophobicContact CE2-CB 3.82Å; Y155-D186 PolarHBondContact OH-OD2 3.48Å; W167-D186 WeakPolarHBondContact CA-OD1 3.3Å; T168-D186 WeakPolarHBondContact CB-OD1 3.43Å; T168-D186 WeakPolarHBondContact CB-OD2 3.48Å; T168-D186 PolarHBondContact N-OD1 3.11Å; T168-D186 PolarHBondContact OG1-OD1 3.34Å; T168-D186 PolarHBondContact OG1-OD2 2.96Å
187A94.6Very high86.6Confident9 Ų972.7 Ų72.77%0.07444%0.436CS..PPolyproline II helixtrans-73.4127.416900000110.5W167 Q179W167-A187 HydrophobicContact CB-CB 4.49Å; Q179-A187 CarbonylContact O-C 3.49Å; Q179-A187 WeakPolarHBondContact O-CA 3.26Å
188E94.8Very high85.5Confident88 Ų8871.8 Ų71.841%0.41144%0.438SS..EExtended strand (participates in β ladder)trans-85.2122.4175.2-67.1-163.1165.600111.1K178 Q179K178-E188 HydrophobicContact CB-CB 4.31Å; K178-E188 WeakPolarHBondContact CB-O 3.27Å; K178-E188 PolarHBondContact N-O 2.04Å; K178-E188 IonicContact NZ-OE2 2.76Å; K178-E188 PolarHBondContact NZ-OE2 2.83Å; Q179-E188 HydrophobicContact CB-CB 4.07Å; Q179-E188 HydrophobicContact CB-CG 4.29Å; Q179-E188 PolarHBondContact N-O 3.3Å; Q179-E188 PolarHBondContact O-N 2.04Å
189C93.8Very high84.4Confident39 Ų3969.2 Ų69.226%0.26444%0.438SS..EExtended strand (participates in β ladder)trans-88125.1173.8-51.10000111.9T168 C170 K175 S176T168-C189 VanDerWaalsContact CG2-SG 3.59Å; C170-C189 WeakPolarHBondContact CA-SG 3.46Å; C170-C189 HydrophobicContact CB-CB 3.77Å; C170-C189 WeakPolarHBondContact CB-SG 3.05Å; C170-C189 WeakPolarHBondContact SG-CA 3.17Å; C170-C189 WeakPolarHBondContact SG-CB 3.45Å; C170-C189 PolarHBondContact SG-N 3.01Å; C170-C189 CovalentContact SG-SG 2.04Å; C170-C189 PolarHBondContact SG-SG 3.3Å; K175-C189 HydrophobicContact CB-CB 4Å; K175-C189 HydrophobicContact CD-CB 3.67Å; S176-C189 CarbonylContact O-C 3.57Å; S176-C189 WeakPolarHBondContact O-CA 3.32Å
190G89.2Confident83.6Confident16 Ų1672.4 Ų72.417%0.16545%0.446CS..EExtended strand (participates in β ladder)trans-80-161.6171.300000113.2S176S176-G190 PolarHBondContact O-N 3.26Å; S176-G190 WeakPolarHBondContact OG-CA 3.41Å
191P87.3Confident83Confident104 Ų10473.4 Ų73.468%0.67544%0.441SS*.EExtended strand (participates in β ladder)trans-62161.5176.627.4-35.6000112.5S176 V193S176-P191 PolarHBondContact N-O 3.44Å; S176-P191 WeakPolarHBondContact OG-CD 3.22Å; S176-P191 PolarHBondContact OG-O 3.44Å; P191-V193 PolarHBondContact O-N 3.39Å
192L83.3Confident82.5Confident119 Ų11977.5 Ų77.562%0.62346%0.459SS*.EExtended strand (participates in β ladder)trans-51131.1171.5-74.2163.7000110.7G174 K175 V194G174-L192 CarbonylContact O-C 3.57Å; G174-L192 WeakPolarHBondContact O-CA 3.32Å; K175-L192 HydrophobicContact CG-CD2 4.31Å; L192-V194 PolarHBondContact O-N 3.44Å
193V73.4Confident82.1Confident94 Ų9479.4 Ų79.457%0.5747%0.469SS*.  trans-76.579.3166.6-169.80000107.6G174 S176 P191 G195G174-V193 PolarHBondContact O-N 2.65Å; S176-V193 VanDerWaalsContact N-CG2 3.35Å; P191-V193 PolarHBondContact O-N 3.39Å; V193-G195 PolarHBondContact O-N 3.28Å
194V74.1Confident81.8Confident127 Ų12780.4 Ų80.477%0.7747%0.473SS*.  trans-63.697.1153-177.20000105.2L192L192-V194 PolarHBondContact O-N 3.44Å
195G67.1Low81.6Confident37 Ų3780 Ų8038%0.38147%0.474SS..  trans-53.6152175.500000110.3V193 A197V193-G195 PolarHBondContact O-N 3.28Å; G195-A197 PolarHBondContact O-N 3.48Å; G195-A197 VanDerWaalsContact O-N 3.13Å
196P64.9Low81.5Confident125 Ų12583.1 Ų83.181%0.81249%0.486SS*.SBendtrans-50.5125.9-17822.2-33.7000109.3P198P196-P198 VanDerWaalsContact O-CA 3.26Å; P196-P198 WeakPolarHBondContact O-CA 3.4Å
197A62.2Low81.4Confident65 Ų6584.1 Ų84.154%0.53750%0.496SS..SBendtrans-45.6113-168.500000109.6G195 S199G195-A197 PolarHBondContact O-N 3.48Å; G195-A197 VanDerWaalsContact O-N 3.13Å; A197-S199 PolarHBondContact O-N 3.05Å
198P68.4Low81.5Confident65 Ų6588 Ų8842%0.42252%0.518SS..  trans-60.2133.1-146.316.6-30.8000110.8P196 W200 F201P196-P198 VanDerWaalsContact O-CA 3.26Å; P196-P198 WeakPolarHBondContact O-CA 3.4Å; P198-W200 PolarHBondContact O-N 2.77Å; P198-F201 HydrophobicContact CG-CD2 3.8Å; P198-F201 HydrophobicContact CG-CE2 3.89Å; P198-F201 PolarHBondContact O-N 3.2Å
199S67.8Low81.5Confident86 Ų8687.7 Ų87.760%0.60152%0.518SS*.THydrogen-bonded Turntrans-47-30.6-155.9-1720000115.6A197 F201 I202 V203A197-S199 PolarHBondContact O-N 3.05Å; S199-F201 PolarHBondContact O-N 2.74Å; S199-I202 PolarHBondContact O-N 3.02Å; S199-V203 WeakPolarHBondContact O-CG2 3.27Å; S199-V203 PolarHBondContact O-N 2.83Å
200W73.5Confident81.6Confident162 Ų16289.6 Ų89.661%0.61453%0.529SS*.Hα-helixtrans-55.2-28.1172.268.5-89.4000114.5P198 S204P198-W200 PolarHBondContact O-N 2.77Å; W200-S204 WeakPolarHBondContact O-CA 3.27Å; W200-S204 WeakPolarHBondContact O-CB 3.36Å; W200-S204 PolarHBondContact O-N 3.16Å
201F80.1Confident81.9Confident107 Ų10792.9 Ų92.947%0.46955%0.546SS..Hα-helixtrans-67.1-43171.1-79.4-68.6000112.5P198 S199 L205P198-F201 HydrophobicContact CG-CD2 3.8Å; P198-F201 HydrophobicContact CG-CE2 3.89Å; P198-F201 PolarHBondContact O-N 3.2Å; S199-F201 PolarHBondContact O-N 2.74Å; F201-L205 VanDerWaalsContact O-CB 3.25Å; F201-L205 WeakPolarHBondContact O-CB 3.27Å; F201-L205 PolarHBondContact O-N 3.21Å
202I82.5Confident82.3Confident99 Ų9992.6 Ų92.651%0.50854%0.538SS..Hα-helixtrans-68.7-45.8178.3-59178000109.4S199 S204 L205 L206S199-I202 PolarHBondContact O-N 3.02Å; I202-S204 PolarHBondContact O-N 3.15Å; I202-L205 PolarHBondContact O-N 3Å; I202-L206 HydrophobicContact CG2-CD1 4Å; I202-L206 WeakPolarHBondContact O-CB 3.38Å; I202-L206 VanDerWaalsContact O-CG 3.28Å; I202-L206 WeakPolarHBondContact O-CG 3.37Å; I202-L206 PolarHBondContact O-N 2.99Å
203V86.3Confident82.9Confident90 Ų9090 Ų9055%0.54553%0.529SS..Hα-helixtrans-62.8-41.1176.2176.40000111.7S199 S207S199-V203 WeakPolarHBondContact O-CG2 3.27Å; S199-V203 PolarHBondContact O-N 2.83Å; V203-S207 VanDerWaalsContact O-CB 3.24Å; V203-S207 WeakPolarHBondContact O-CB 3.3Å; V203-S207 PolarHBondContact O-N 3.1Å
204S89.2Confident83.9Confident60 Ų6090.7 Ų90.742%0.4253%0.529SS..Hα-helixtrans-65.5-44.8176.1-178.40000111.7W200 I202 L206 S207 V208W200-S204 WeakPolarHBondContact O-CA 3.27Å; W200-S204 WeakPolarHBondContact O-CB 3.36Å; W200-S204 PolarHBondContact O-N 3.16Å; I202-S204 PolarHBondContact O-N 3.15Å; S204-L206 PolarHBondContact O-N 2.88Å; S204-S207 WeakPolarHBondContact O-CB 3.24Å; S204-S207 PolarHBondContact O-N 3Å; S204-V208 WeakPolarHBondContact O-CG2 3.33Å; S204-V208 PolarHBondContact O-N 3.07Å
205L91.6Very high84.8Confident110 Ų11089 Ų8958%0.57652%0.515SS*.Hα-helixtrans-61.8-45176.8-177.261.5000111.6F201 I202 V208 I209F201-L205 VanDerWaalsContact O-CB 3.25Å; F201-L205 WeakPolarHBondContact O-CB 3.27Å; F201-L205 PolarHBondContact O-N 3.21Å; I202-L205 PolarHBondContact O-N 3Å; L205-V208 PolarHBondContact O-N 3.14Å; L205-I209 HydrophobicContact CD1-CD1 4.25Å; L205-I209 HydrophobicContact CG-CD1 4.03Å; L205-I209 WeakPolarHBondContact O-CB 3.01Å; L205-I209 WeakPolarHBondContact O-CD1 3.28Å; L205-I209 VanDerWaalsContact O-CG1 3.22Å; L205-I209 WeakPolarHBondContact O-CG1 3.44Å; L205-I209 PolarHBondContact O-N 3.12Å
206L92.2Very high86.1Confident103 Ų10391.9 Ų91.954%0.53952%0.521SS..Hα-helixtrans-63.6-40.3174.5-70.1171.2000112I202 S204 I209 T210I202-L206 HydrophobicContact CG2-CD1 4Å; I202-L206 WeakPolarHBondContact O-CB 3.38Å; I202-L206 VanDerWaalsContact O-CG 3.28Å; I202-L206 WeakPolarHBondContact O-CG 3.37Å; I202-L206 PolarHBondContact O-N 2.99Å; S204-L206 PolarHBondContact O-N 2.88Å; L206-I209 PolarHBondContact O-N 2.8Å; L206-T210 WeakPolarHBondContact O-CG2 3.46Å; L206-T210 PolarHBondContact O-N 2.83Å; L206-T210 PolarHBondContact O-OG1 3.46Å; L206-T210 VanDerWaalsContact O-OG1 3.11Å
207S94.1Very high87.3Confident62 Ų6291 Ų9143%0.43451%0.509SS..Hα-helixtrans-60.4-49.6174.7-176.40000111.5V203 S204 I209 T210 V211V203-S207 VanDerWaalsContact O-CB 3.24Å; V203-S207 WeakPolarHBondContact O-CB 3.3Å; V203-S207 PolarHBondContact O-N 3.1Å; S204-S207 WeakPolarHBondContact O-CB 3.24Å; S204-S207 PolarHBondContact O-N 3Å; S207-I209 VanDerWaalsContact C-N 3.33Å; S207-I209 PolarHBondContact O-N 2.76Å; S207-T210 PolarHBondContact O-N 3.35Å; S207-T210 PolarHBondContact O-OG1 2.76Å; S207-V211 WeakPolarHBondContact O-CG2 3.38Å; S207-V211 PolarHBondContact O-N 2.87Å
208V95.8Very high88.6Confident89 Ų8992.4 Ų92.454%0.53951%0.507SS..Hα-helixtrans-59.6-42.41761710000111.7S204 L205 L212S204-V208 WeakPolarHBondContact O-CG2 3.33Å; S204-V208 PolarHBondContact O-N 3.07Å; L205-V208 PolarHBondContact O-N 3.14Å; V208-L212 VanDerWaalsContact O-CB 3.3Å; V208-L212 WeakPolarHBondContact O-CB 3.01Å; V208-L212 PolarHBondContact O-N 2.83Å
209I95.5Very high89.5Confident82 Ų8294.5 Ų94.542%0.42151%0.514SS..Hα-helixtrans-62.7-48.3176.6-70.5164.2000110.9L205 L206 S207 L212 C213L205-I209 HydrophobicContact CD1-CD1 4.25Å; L205-I209 HydrophobicContact CG-CD1 4.03Å; L205-I209 WeakPolarHBondContact O-CB 3.01Å; L205-I209 WeakPolarHBondContact O-CD1 3.28Å; L205-I209 VanDerWaalsContact O-CG1 3.22Å; L205-I209 WeakPolarHBondContact O-CG1 3.44Å; L205-I209 PolarHBondContact O-N 3.12Å; L206-I209 PolarHBondContact O-N 2.8Å; S207-I209 VanDerWaalsContact C-N 3.33Å; S207-I209 PolarHBondContact O-N 2.76Å; I209-L212 PolarHBondContact O-N 2.03Å; I209-C213 WeakPolarHBondContact O-CB 3.31Å; I209-C213 PolarHBondContact O-N 2.7Å; I209-C213 PolarHBondContact O-SG 2.74Å; I209-C213 VanDerWaalsContact O-SG 3.34Å
210T95Very high90.4Very high79 Ų7996.1 Ų96.149%0.48551%0.51SS..Hα-helixtrans-63.9-42.2179.953.40000112.7L206 S207 L212 C213 L214L206-T210 WeakPolarHBondContact O-CG2 3.46Å; L206-T210 PolarHBondContact O-N 2.83Å; L206-T210 PolarHBondContact O-OG1 3.46Å; L206-T210 VanDerWaalsContact O-OG1 3.11Å; S207-T210 PolarHBondContact O-N 3.35Å; S207-T210 PolarHBondContact O-OG1 2.76Å; T210-L212 VanDerWaalsContact C-N 3.35Å; T210-L212 PolarHBondContact O-N 2.77Å; T210-C213 PolarHBondContact O-N 2.97Å; T210-L214 WeakPolarHBondContact O-CG 3.37Å; T210-L214 PolarHBondContact O-N 2.8Å
211V96.2Very high90.8Very high86 Ų8692.3 Ų92.352%0.52151%0.507SS..Hα-helixtrans-61.2-43.2174171.90000111.2S207 L214 L215S207-V211 WeakPolarHBondContact O-CG2 3.38Å; S207-V211 PolarHBondContact O-N 2.87Å; V211-L214 PolarHBondContact O-N 3.19Å; V211-L215 WeakPolarHBondContact O-CB 3.45Å; V211-L215 PolarHBondContact O-N 2.95Å
212L96.2Very high90.9Very high98 Ų9893.9 Ų93.951%0.51351%0.511SS..Hα-helixtrans-64.2-43.2177.1-175.862.9000111.8V208 I209 T210 L215 I216V208-L212 VanDerWaalsContact O-CB 3.3Å; V208-L212 WeakPolarHBondContact O-CB 3.01Å; V208-L212 PolarHBondContact O-N 2.83Å; I209-L212 PolarHBondContact O-N 2.03Å; T210-L212 VanDerWaalsContact C-N 3.35Å; T210-L212 PolarHBondContact O-N 2.77Å; L212-L215 PolarHBondContact O-N 3.06Å; L212-I216 HydrophobicContact CD1-CD1 4.29Å; L212-I216 HydrophobicContact CG-CD1 4Å; L212-I216 VanDerWaalsContact O-CG1 3.28Å; L212-I216 WeakPolarHBondContact O-CG1 3.2Å; L212-I216 PolarHBondContact O-N 2.84Å
213C94.8Very high90.8Very high65 Ų6592.3 Ų92.344%0.43950%0.501SS..Hα-helixtrans-61.3-45.2174.6-72.70000112.2I209 T210 L215 I216 L217I209-C213 WeakPolarHBondContact O-CB 3.31Å; I209-C213 PolarHBondContact O-N 2.7Å; I209-C213 PolarHBondContact O-SG 2.74Å; I209-C213 VanDerWaalsContact O-SG 3.34Å; T210-C213 PolarHBondContact O-N 2.97Å; C213-L215 VanDerWaalsContact C-N 3.34Å; C213-L215 PolarHBondContact O-N 3.5Å; C213-I216 PolarHBondContact O-N 3.35Å; C213-L217 WeakPolarHBondContact O-CB 3.04Å; C213-L217 VanDerWaalsContact O-CG 3.31Å; C213-L217 WeakPolarHBondContact O-CG 3.35Å; C213-L217 PolarHBondContact O-N 3.29Å
214L94.4Very high90Very high107 Ų10791 Ų9156%0.5649%0.491SS*.Hα-helixtrans-62.3-40.8176-72.3173.1000111.8T210 V211 L217 L218T210-L214 WeakPolarHBondContact O-CG 3.37Å; T210-L214 PolarHBondContact O-N 2.8Å; V211-L214 PolarHBondContact O-N 3.19Å; L214-L217 PolarHBondContact O-N 2.81Å; L214-L218 WeakPolarHBondContact O-CB 3.27Å; L214-L218 VanDerWaalsContact O-CG 3.3Å; L214-L218 WeakPolarHBondContact O-CG 3.1Å; L214-L218 PolarHBondContact O-N 3.39Å
215L93.9Very high89.1Confident93 Ų9394.7 Ų94.749%0.48750%0.499SS..Hα-helixtrans-65.5-41.3176.9-167.5152.8000111.6V211 L212 C213 L218 L219V211-L215 WeakPolarHBondContact O-CB 3.45Å; V211-L215 PolarHBondContact O-N 2.95Å; L212-L215 PolarHBondContact O-N 3.06Å; C213-L215 VanDerWaalsContact C-N 3.34Å; C213-L215 PolarHBondContact O-N 3.5Å; L215-L218 PolarHBondContact O-N 2.78Å; L215-L219 HydrophobicContact CD2-CD1 3.64Å; L215-L219 HydrophobicContact CD2-CG 4.13Å; L215-L219 WeakPolarHBondContact O-CB 3.26Å; L215-L219 WeakPolarHBondContact O-CG 3.28Å; L215-L219 PolarHBondContact O-N 3.34Å
216I93.2Very high88Confident96 Ų9694.5 Ų94.549%0.49250%0.498SS..Hα-helixtrans-63.7-44.1174.2-69.7165.2000111.2L212 C213 L219 F220L212-I216 HydrophobicContact CD1-CD1 4.29Å; L212-I216 HydrophobicContact CG-CD1 4Å; L212-I216 VanDerWaalsContact O-CG1 3.28Å; L212-I216 WeakPolarHBondContact O-CG1 3.2Å; L212-I216 PolarHBondContact O-N 2.84Å; C213-I216 PolarHBondContact O-N 3.35Å; I216-L219 PolarHBondContact O-N 3.01Å; I216-F220 WeakPolarHBondContact O-CB 3.46Å; I216-F220 PolarHBondContact O-N 3.09Å
217L90.6Very high86.9Confident107 Ų10795 Ų9556%0.5650%0.496SS*.Hα-helixtrans-63.1-45.1176.4-73.1171.4000111.5C213 L214 F220 C221C213-L217 WeakPolarHBondContact O-CB 3.04Å; C213-L217 VanDerWaalsContact O-CG 3.31Å; C213-L217 WeakPolarHBondContact O-CG 3.35Å; C213-L217 PolarHBondContact O-N 3.29Å; L214-L217 PolarHBondContact O-N 2.81Å; L217-F220 WeakPolarHBondContact O-CB 3.06Å; L217-F220 PolarHBondContact O-N 2.84Å; L217-F220 VanDerWaalsContact O-N 3.1Å; L217-C221 PolarHBondContact O-N 2.99Å; L217-C221 PolarHBondContact O-SG 2.87Å; L217-C221 VanDerWaalsContact O-SG 3.35Å
218L89.1Confident85.6Confident95 Ų9597.5 Ų97.550%0.49750%0.504SS..Hα-helixtrans-58.2-48.9173.5-76.3170.7000111L214 L215 F220 C221 Y222L214-L218 WeakPolarHBondContact O-CB 3.27Å; L214-L218 VanDerWaalsContact O-CG 3.3Å; L214-L218 WeakPolarHBondContact O-CG 3.1Å; L214-L218 PolarHBondContact O-N 3.39Å; L215-L218 PolarHBondContact O-N 2.78Å; L218-F220 PolarHBondContact O-N 2.84Å; L218-C221 PolarHBondContact O-N 3.44Å; L218-Y222 HydrophobicContact CB-CD2 4.19Å; L218-Y222 HydrophobicContact CB-CE2 4.14Å; L218-Y222 HydrophobicContact CD2-CE2 4.12Å; L218-Y222 WeakPolarHBondContact O-CB 2.99Å; L218-Y222 WeakPolarHBondContact O-CD2 3.34Å; L218-Y222 PolarHBondContact O-N 2.8Å
219L87.9Confident84.1Confident108 Ų10898.5 Ų98.557%0.56551%0.505SS*.Hα-helixtrans-59.8-33.7174.8-73.7178.5000112.4L215 I216 K223L215-L219 HydrophobicContact CD2-CD1 3.64Å; L215-L219 HydrophobicContact CD2-CG 4.13Å; L215-L219 WeakPolarHBondContact O-CB 3.26Å; L215-L219 WeakPolarHBondContact O-CG 3.28Å; L215-L219 PolarHBondContact O-N 3.34Å; I216-L219 PolarHBondContact O-N 3.01Å; L219-K223 WeakPolarHBondContact O-CB 3.32Å; L219-K223 PolarHBondContact O-N 2.96Å
220F86.9Confident82.7Confident121 Ų12197.1 Ų97.153%0.53150%0.503SS..Hα-helixtrans-70.3-45.9176.6-156-81.6000112.1I216 L217 L218 K223 D224I216-F220 WeakPolarHBondContact O-CB 3.46Å; I216-F220 PolarHBondContact O-N 3.09Å; L217-F220 WeakPolarHBondContact O-CB 3.06Å; L217-F220 PolarHBondContact O-N 2.84Å; L217-F220 VanDerWaalsContact O-N 3.1Å; L218-F220 PolarHBondContact O-N 2.84Å; F220-K223 VanDerWaalsContact CE2-CE 3.48Å; F220-K223 VanDerWaalsContact CG-NZ 3.28Å; F220-K223 WeakPolarHBondContact O-CB 3.39Å; F220-K223 PolarHBondContact O-N 2.91Å; F220-K223 PolarHBondContact O-NZ 2.03Å; F220-D224 VanDerWaalsContact CE1-OD2 3.32Å; F220-D224 WeakPolarHBondContact CE1-OD2 3.01Å; F220-D224 PolarHBondContact O-N 3.32Å
221C82.3Confident81.6Confident82 Ų8297.9 Ų97.955%0.55451%0.507SS*.Hα-helixtrans-63.4-44.6174.6-67.60000111.9L217 L218 D224 K225L217-C221 PolarHBondContact O-N 2.99Å; L217-C221 PolarHBondContact O-SG 2.87Å; L217-C221 VanDerWaalsContact O-SG 3.35Å; L218-C221 PolarHBondContact O-N 3.44Å; C221-D224 PolarHBondContact O-N 2.69Å; C221-K225 WeakPolarHBondContact O-CG 3.43Å; C221-K225 PolarHBondContact O-N 2.68Å
222Y81.1Confident80.3Confident140 Ų14099 Ų9955%0.54951%0.51SS..Hα-helixtrans-64.1-40.7174-75.7-56.6000111.4L218 D224 K225 L226L218-Y222 HydrophobicContact CB-CD2 4.19Å; L218-Y222 HydrophobicContact CB-CE2 4.14Å; L218-Y222 HydrophobicContact CD2-CE2 4.12Å; L218-Y222 WeakPolarHBondContact O-CB 2.99Å; L218-Y222 WeakPolarHBondContact O-CD2 3.34Å; L218-Y222 PolarHBondContact O-N 2.8Å; Y222-D224 VanDerWaalsContact C-N 3.27Å; Y222-D224 PolarHBondContact O-N 2.88Å; Y222-K225 CarbonylContact O-C 3.52Å; Y222-K225 PolarHBondContact O-N 3.33Å; Y222-L226 WeakPolarHBondContact O-CA 3.18Å; Y222-L226 WeakPolarHBondContact O-CB 3.42Å; Y222-L226 WeakPolarHBondContact O-CD1 3.23Å; Y222-L226 WeakPolarHBondContact O-CG 3.44Å; Y222-L226 PolarHBondContact O-N 2.64Å
223K80.9Confident79.2Confident66 Ų6699.9 Ų99.929%0.28752%0.515SS..Hα-helixtrans-53.9-42.4174.5162.3-172.453.240.60112L219 F220 K227L219-K223 WeakPolarHBondContact O-CB 3.32Å; L219-K223 PolarHBondContact O-N 2.96Å; F220-K223 VanDerWaalsContact CE2-CE 3.48Å; F220-K223 VanDerWaalsContact CG-NZ 3.28Å; F220-K223 WeakPolarHBondContact O-CB 3.39Å; F220-K223 PolarHBondContact O-N 2.91Å; F220-K223 PolarHBondContact O-NZ 2.03Å; K223-K227 WeakPolarHBondContact O-CG 3.36Å; K223-K227 PolarHBondContact O-N 3.12Å
224D68.3Low78.2Confident62 Ų62105.1 Ų105.133%0.33253%0.525SS..Hα-helixtrans-84.2-29-176.9-58.2-37.9000112.4F220 C221 Y222 K227 L228F220-D224 VanDerWaalsContact CE1-OD2 3.32Å; F220-D224 WeakPolarHBondContact CE1-OD2 3.01Å; F220-D224 PolarHBondContact O-N 3.32Å; C221-D224 PolarHBondContact O-N 2.69Å; Y222-D224 VanDerWaalsContact C-N 3.27Å; Y222-D224 PolarHBondContact O-N 2.88Å; D224-K227 PolarHBondContact O-N 2.96Å; D224-K227 IonicContact OD1-NZ 2.69Å; D224-K227 PolarHBondContact OD1-NZ 3.47Å; D224-L228 PolarHBondContact O-N 2.9Å
225K70.6Confident77.2Confident138 Ų138102.7 Ų102.760%0.652%0.517SS*.Hα-helixtrans-65.4-37.4163.9-72.5-74.7-174.5175.50112.6C221 Y222 L228 L229C221-K225 WeakPolarHBondContact O-CG 3.43Å; C221-K225 PolarHBondContact O-N 2.68Å; Y222-K225 CarbonylContact O-C 3.52Å; Y222-K225 PolarHBondContact O-N 3.33Å; K225-L228 PolarHBondContact O-N 2.03Å; K225-L229 WeakPolarHBondContact O-CB 3.46Å; K225-L229 WeakPolarHBondContact O-CG 3.46Å; K225-L229 PolarHBondContact O-N 2.84Å
226L68.1Low76.2Confident105 Ų105101.3 Ų101.355%0.5552%0.515SS..Hα-helixtrans-70.1-36.2175.5-76.6165.5000111.2Y222 L229 S230Y222-L226 WeakPolarHBondContact O-CA 3.18Å; Y222-L226 WeakPolarHBondContact O-CB 3.42Å; Y222-L226 WeakPolarHBondContact O-CD1 3.23Å; Y222-L226 WeakPolarHBondContact O-CG 3.44Å; Y222-L226 PolarHBondContact O-N 2.64Å; L226-L229 PolarHBondContact O-N 2.02Å; L226-S230 VanDerWaalsContact O-CB 3.24Å; L226-S230 WeakPolarHBondContact O-CB 3.42Å; L226-S230 PolarHBondContact O-N 2.81Å; L226-S230 PolarHBondContact O-OG 3.06Å
227K70.6Confident75.4Confident114 Ų114100.8 Ų100.850%0.49652%0.516SS..Hα-helixtrans-58.8-50.9167.4-78173.8-172.1161.40110.8K223 D224 L229 S230 V231K223-K227 WeakPolarHBondContact O-CG 3.36Å; K223-K227 PolarHBondContact O-N 3.12Å; D224-K227 PolarHBondContact O-N 2.96Å; D224-K227 IonicContact OD1-NZ 2.69Å; D224-K227 PolarHBondContact OD1-NZ 3.47Å; K227-L229 PolarHBondContact O-N 2.88Å; K227-S230 PolarHBondContact O-N 3.44Å; K227-S230 VanDerWaalsContact O-N 3.09Å; K227-S230 PolarHBondContact O-OG 3.16Å; K227-V231 WeakPolarHBondContact O-CG2 3.02Å; K227-V231 PolarHBondContact O-N 2.89Å
228L65.3Low74.4Confident115 Ų115102.3 Ų102.360%0.60252%0.52SS*.Hα-helixtrans-58.2-46178-175.166.1000112D224 K225 S230 V231 N232D224-L228 PolarHBondContact O-N 2.9Å; K225-L228 PolarHBondContact O-N 2.03Å; L228-S230 PolarHBondContact O-N 3.39Å; L228-V231 PolarHBondContact O-N 2.82Å; L228-N232 WeakPolarHBondContact O-CB 3.2Å; L228-N232 PolarHBondContact O-N 2.84Å
229L64.1Low73.2Confident109 Ų109102.1 Ų102.157%0.57152%0.52SS*.Hα-helixtrans-61.2-40.5173.1-79.9162.9000112.3K225 L226 K227 V231 N232 L233K225-L229 WeakPolarHBondContact O-CB 3.46Å; K225-L229 WeakPolarHBondContact O-CG 3.46Å; K225-L229 PolarHBondContact O-N 2.84Å; L226-L229 PolarHBondContact O-N 2.02Å; K227-L229 PolarHBondContact O-N 2.88Å; L229-V231 PolarHBondContact O-N 3.18Å; L229-N232 PolarHBondContact O-N 2.81Å; L229-L233 WeakPolarHBondContact O-CB 3.24Å; L229-L233 PolarHBondContact O-N 2.66Å
230S68.1Low72.3Confident53 Ų53102.3 Ų102.337%0.37152%0.521SS..Hα-helixtrans-68.7-32.7179.378.30000112.9L226 K227 L228 R234L226-S230 VanDerWaalsContact O-CB 3.24Å; L226-S230 WeakPolarHBondContact O-CB 3.42Å; L226-S230 PolarHBondContact O-N 2.81Å; L226-S230 PolarHBondContact O-OG 3.06Å; K227-S230 PolarHBondContact O-N 3.44Å; K227-S230 VanDerWaalsContact O-N 3.09Å; K227-S230 PolarHBondContact O-OG 3.16Å; L228-S230 PolarHBondContact O-N 3.39Å; S230-R234 WeakPolarHBondContact O-CB 3.47Å; S230-R234 PolarHBondContact O-N 3.46Å
231V70.8Confident71.3Confident95 Ų95104.1 Ų104.158%0.57653%0.529SS*.Hα-helixtrans-71.1-45.3173.4171.70000109.9K227 L228 L229 R234 S235K227-V231 WeakPolarHBondContact O-CG2 3.02Å; K227-V231 PolarHBondContact O-N 2.89Å; L228-V231 PolarHBondContact O-N 2.82Å; L229-V231 PolarHBondContact O-N 3.18Å; V231-R234 PolarHBondContact O-N 3.34Å; V231-S235 PolarHBondContact O-N 3.36Å
232N68.4Low70.2Confident110 Ų110109.1 Ų109.159%0.58854%0.536SS*.Hα-helixtrans-66.8-40.8179-157.13.6000111.9L228 L229 S235 C236L228-N232 WeakPolarHBondContact O-CB 3.2Å; L228-N232 PolarHBondContact O-N 2.84Å; L229-N232 PolarHBondContact O-N 2.81Å; N232-S235 WeakPolarHBondContact O-CB 3.48Å; N232-S235 PolarHBondContact O-N 3.17Å; N232-C236 WeakPolarHBondContact O-CB 3.34Å; N232-C236 PolarHBondContact O-N 3.11Å
233L73Confident69.1Low116 Ų116105.7 Ų105.761%0.60753%0.532SS*.Hα-helixtrans-62.2-43.1172.6-173.272.9000111.5L229 S235 C236 V237L229-L233 WeakPolarHBondContact O-CB 3.24Å; L229-L233 PolarHBondContact O-N 2.66Å; L233-S235 VanDerWaalsContact C-N 3.32Å; L233-S235 PolarHBondContact O-N 3.38Å; L233-C236 PolarHBondContact O-N 3.48Å; L233-V237 WeakPolarHBondContact O-CB 3.3Å; L233-V237 VanDerWaalsContact O-CG2 3.31Å; L233-V237 WeakPolarHBondContact O-CG2 3.32Å; L233-V237 PolarHBondContact O-N 3.22Å
234R75.1Confident67.9Low175 Ų175112.3 Ų112.366%0.6656%0.555SS**Hα-helixtrans-62.8-38.6176-170179.9-58-108-0.2111.7S230 V231 Q238S230-R234 WeakPolarHBondContact O-CB 3.47Å; S230-R234 PolarHBondContact O-N 3.46Å; V231-R234 PolarHBondContact O-N 3.34Å; R234-Q238 WeakPolarHBondContact O-CG 3.41Å; R234-Q238 PolarHBondContact O-N 3.48Å
235S72.7Confident67.3Low56 Ų56115 Ų11539%0.39257%0.569SS.*Hα-helixtrans-65.5-44.6172.1-171.40000112V231 N232 L233 Q238 N239V231-S235 PolarHBondContact O-N 3.36Å; N232-S235 WeakPolarHBondContact O-CB 3.48Å; N232-S235 PolarHBondContact O-N 3.17Å; L233-S235 VanDerWaalsContact C-N 3.32Å; L233-S235 PolarHBondContact O-N 3.38Å; S235-Q238 PolarHBondContact O-N 2.8Å; S235-N239 PolarHBondContact O-N 2.88Å; S235-N239 PolarHBondContact O-ND2 3.44Å
236C72.3Confident66.2Low65 Ų65115.9 Ų115.944%0.43958%0.575SS.*Hα-helixtrans-61.1-45.4176.5-174.70000111.9N232 L233 Q238 N239 L240N232-C236 WeakPolarHBondContact O-CB 3.34Å; N232-C236 PolarHBondContact O-N 3.11Å; L233-C236 PolarHBondContact O-N 3.48Å; C236-Q238 PolarHBondContact O-N 2.93Å; C236-N239 PolarHBondContact O-N 3.27Å; C236-L240 PolarHBondContact O-N 2.88Å
237V78.2Confident65.1Low84 Ų84118.6 Ų118.651%0.50959%0.585SS.*Hα-helixtrans-62.5-39.3175.8169.30000111.7L233 K241L233-V237 WeakPolarHBondContact O-CB 3.3Å; L233-V237 VanDerWaalsContact O-CG2 3.31Å; L233-V237 WeakPolarHBondContact O-CG2 3.32Å; L233-V237 PolarHBondContact O-N 3.22Å; V237-K241 WeakPolarHBondContact O-CB 3.38Å; V237-K241 PolarHBondContact O-N 3Å
238Q68.1Low63.9Low140 Ų140121.7 Ų121.765%0.65460%0.601SS**Hα-helixtrans-67.3-38.4173.6-76.5-170-4.900112.6R234 S235 C236 K241 R242R234-Q238 WeakPolarHBondContact O-CG 3.41Å; R234-Q238 PolarHBondContact O-N 3.48Å; S235-Q238 PolarHBondContact O-N 2.8Å; C236-Q238 PolarHBondContact O-N 2.93Å; Q238-K241 PolarHBondContact O-N 2.89Å; Q238-R242 WeakPolarHBondContact O-CB 3.38Å; Q238-R242 PolarHBondContact O-N 2.95Å
239N65.1Low63Low90 Ų90121.1 Ų121.148%0.48160%0.602SS.*Hα-helixtrans-68.6-40.5175.9-78.5-71.8000112.4S235 C236 K241 R242 S243S235-N239 PolarHBondContact O-N 2.88Å; S235-N239 PolarHBondContact O-ND2 3.44Å; C236-N239 PolarHBondContact O-N 3.27Å; N239-K241 VanDerWaalsContact C-N 3.33Å; N239-K241 PolarHBondContact O-N 3.39Å; N239-R242 WeakPolarHBondContact O-CB 3.23Å; N239-R242 PolarHBondContact O-N 3.48Å; N239-R242 VanDerWaalsContact O-N 3.15Å; N239-S243 PolarHBondContact O-N 2.91Å
240L68.8Low62.2Low113 Ų113123.9 Ų123.959%0.59262%0.617SS**Hα-helixtrans-59.2-42.3170.2-82.3163.1000112C236 R242 S243 R244C236-L240 PolarHBondContact O-N 2.88Å; L240-R242 VanDerWaalsContact C-N 3.3Å; L240-R242 PolarHBondContact O-N 3.43Å; L240-S243 PolarHBondContact O-N 2.8Å; L240-R244 PolarHBondContact O-N 3.17Å
241K64.9Low60.6Low159 Ų159126.2 Ų126.269%0.69164%0.639SS**Hα-helixtrans-65.6-32.3175.5-167.1172.2-176.5178.10112.4V237 Q238 N239V237-K241 WeakPolarHBondContact O-CB 3.38Å; V237-K241 PolarHBondContact O-N 3Å; Q238-K241 PolarHBondContact O-N 2.89Å; N239-K241 VanDerWaalsContact C-N 3.33Å; N239-K241 PolarHBondContact O-N 3.39Å
242R58.9Low59.3Low187 Ų187127.9 Ų127.971%0.70665%0.652SS**Hα-helixtrans-73.4-39.4174.5-158176.6-155.21495.8112.2Q238 N239 L240 R244 I245Q238-R242 WeakPolarHBondContact O-CB 3.38Å; Q238-R242 PolarHBondContact O-N 2.95Å; N239-R242 WeakPolarHBondContact O-CB 3.23Å; N239-R242 PolarHBondContact O-N 3.48Å; N239-R242 VanDerWaalsContact O-N 3.15Å; L240-R242 VanDerWaalsContact C-N 3.3Å; L240-R242 PolarHBondContact O-N 3.43Å; R242-R244 PolarHBondContact O-N 2.91Å; R242-I245 PolarHBondContact O-N 3.17Å
243S59.7Low57.9Low68 Ų68130.6 Ų130.648%0.47667%0.666SS.*Hα-helixtrans-63.5-40.2-178.8-166.10000112.7N239 L240 I245 Q246N239-S243 PolarHBondContact O-N 2.91Å; L240-S243 PolarHBondContact O-N 2.8Å; S243-I245 PolarHBondContact O-N 2.92Å; S243-Q246 PolarHBondContact O-N 3.45Å
244R55.3Low55.9Low204 Ų204136 Ų13677%0.7768%0.679SS**Hα-helixtrans-55.6-37.8175.9-80.8-160.1-176.8-167.23.4112.9L240 R242 Q246 Q247L240-R244 PolarHBondContact O-N 3.17Å; R242-R244 PolarHBondContact O-N 2.91Å; R244-Q246 VanDerWaalsContact C-N 3.26Å; R244-Q246 PolarHBondContact O-N 2.96Å; R244-Q247 PolarHBondContact O-N 3.47Å
245I54.3Low54Low119 Ų119137.8 Ų137.861%0.6169%0.686SS**Hα-helixtrans-72.9-19.1-174.2-59.1169.5000111.9R242 S243R242-I245 PolarHBondContact O-N 3.17Å; S243-I245 PolarHBondContact O-N 2.92Å
246Q48.9Very low52.3Low156 Ų156141.1 Ų141.173%0.72971%0.709SS**Hα-helixtrans-90-17.3176.9-75.4-89.8-95.100113.7S243 R244S243-Q246 PolarHBondContact O-N 3.45Å; R244-Q246 VanDerWaalsContact C-N 3.26Å; R244-Q246 PolarHBondContact O-N 2.96Å
247Q45.1Very low50.5Low162 Ų162141.4 Ų141.476%0.75772%0.723SS**Hα-helixtrans-89.8-11.7-171.5-162.3166.73.300113.9R244R244-Q247 PolarHBondContact O-N 3.47Å
248E44.1Very low48.4Very low180 Ų180142.2 Ų142.284%0.84174%0.739SS**THydrogen-bonded Turntrans-88.1-1.3-179.2-65.6-176.3143.900114.1
249T47.5Very low46.8Very low103 Ų103145 Ų14563%0.63275%0.752SS**SBendtrans-107.1-4.6-167.4-22.90000116
250L46.5Very low45.5Very low166 Ų166144.6 Ų144.687%0.86977%0.769SS**  trans-139.791.3-178.1-76.6174.9000112.9
251A34Very low43.8Very low102 Ų102143.3 Ų143.384%0.84378%0.783SS**  trans-148.8110.8169.500000112
252P44.9Very low42.3Very low130 Ų130138.9 Ų138.984%0.84478%0.783SS**  trans-96.7149165.2-3.724.2000112.3
253L38.2Very low41.3Very low167 Ų167137.9 Ų137.987%0.87479%0.79SS**  trans-78.8148175.1-69133.3000112.4
254Y32.2Very low40.9Very low229 Ų229139.4 Ų139.490%0.89880%0.799SS**  -159.1-172121-129.1-108.8000113.2
255R34.6Very low39.9Very low214 Ų214137.8 Ų137.881%0.80880%0.8SS**  trans-141156.9-148.4175-166.4-96.4174.4-8.6113.3
256S37.3Very low39.1Very low125 Ų125137.8 Ų137.887%0.87481%0.805SS**  trans74157.9167.173.30000116.9
257G34.3Very low38.5Very low71 Ų71135.3 Ų135.373%0.73281%0.811SS**  cis161.6-178.2-8.400000113.8
258A34.1Very low38Very low102 Ų102130.8 Ų130.884%0.84381%0.808SS**  trans83147.6172.700000119.7
259E34.8Very low37.8Very low197 Ų197127.9 Ų127.992%0.92181%0.808SS**  trans-90.2172.6-172-53112.896.400115.8
260G36.1Very low37Very low82 Ų82132 Ų13285%0.84582%0.817SS**  trans170.7122.4162.100000112.3
261G34.5Very low36.2Very low86 Ų86130.2 Ų130.289%0.88782%0.816SS**  trans-134.1160.9-174.500000115.2
262G32.4Very low36.3Very low67 Ų67132 Ų13269%0.69182%0.817SS**  trans147.3105.6176.200000110.5
263I38.3Very low36.2Very low165 Ų165131.5 Ų131.585%0.84681%0.814SS**  67.4121.564.4-61.5179.1000112
264P51Low35.8Very low101 Ų101130.2 Ų130.266%0.65682%0.817SS**  cis-151.1-162.5-22.344.2-23.1000115.8
265E35.7Very low35.9Very low170 Ų170128.1 Ų128.179%0.79482%0.816SS**  trans71.7113.3143.5-72.4-153.5111.900125.3
266V37.1Very low35.9Very low119 Ų119126.1 Ų126.172%0.72182%0.818SS**  101.5114.2116168.90000122.2
267A36.7Very low35.6Very low103 Ų103126.5 Ų126.585%0.85182%0.815SS**  trans64.9136.814900000121.7
268G33.7Very low35.4Very low68 Ų68131.3 Ų131.370%0.70182%0.816SS**  trans-175-41172.600000116.3
269S39.3Very low35.4Very low119 Ų119134 Ų13483%0.83282%0.815SS**  trans65.9161.1-176.886.10000114.7
270K30.5Very low35.2Very low190 Ų190132.1 Ų132.183%0.82681%0.809SS**  cis-157.1130.34.4-155.2174.2-175.1176.60110.6
271C31.4Very low34.8Very low127 Ų127133.1 Ų133.186%0.85880%0.802SS**  trans165.8134.8147.4-89.90000109.7
272T35.3Very low34.9Very low139 Ų139137.5 Ų137.585%0.85380%0.8SS**  trans-121.4131.3-169.446.40000112.9
273P42.5Very low34.7Very low121 Ų121138.7 Ų138.779%0.78680%0.803SS**  trans-86.8168.5164.136.6-33.4000111.8
274C30.9Very low34.1Very low139 Ų139135.6 Ų135.694%0.93980%0.796SS**  trans-105162.1167.3-67.60000111.6
275E33.6Very low33Very low186 Ų186139.8 Ų139.887%0.86981%0.807SS**  trans-102165.5-152.4-163.2171.8175.700115
276M35.5Very low32.6Very low172 Ų172136.3 Ų136.385%0.84780%0.801SS**  trans-135.9122.7-176.4175.7-169.2-178.900110.9
277T30.6Very low32.8Very low133 Ų133135.2 Ų135.282%0.81680%0.796SS**  trans-140.8149.3178-350000112.1
278K29.4Very low32.4Very low172 Ų172137.4 Ų137.475%0.74879%0.789SS**  trans-148.2107.5-164.4176.8-170.5169.3-171.60114.2
279L33.9Very low32.1Very low158 Ų158143 Ų14383%0.82779%0.794SS**  trans57.9165.2146.1-80.2161000122
280I31.8Very low31.5Very low157 Ų157144.2 Ų144.281%0.80579%0.791SS**  trans82137.9171.6-56.2177.6000114.8
281C27.4Very low32.8Very low103 Ų103140 Ų14070%0.69678%0.783SS**  cis-174177.5-28-96.70000107.3
282Q36.9Very low33.6Very low179 Ų179139.6 Ų139.684%0.83678%0.779SS**  cis-176.6142.3-40.8-179.2174.13.700107.8
283A27.2Very low33.1Very low91 Ų91137.7 Ų137.775%0.75277%0.771SS**  trans-158.2159.1-173.200000112.5
284S25.6Very low32.4Very low101 Ų101137.2 Ų137.271%0.70677%0.767SS**  cis-169.5128.8-21.752.10000113.7
285H27.7Very low32.1Very low189 Ų189139.9 Ų139.988%0.87576%0.763SS**  trans70.2171.2147.8-79.8-79.8000123.2
286S28.5Very low32.5Very low96 Ų96136.4 Ų136.467%0.67176%0.756SS**  trans-133.6-162.5-149.1590000111.1
287P41Very low32Very low96 Ų96132.2 Ų132.262%0.62375%0.749SS**  cis-131.7-145.7-635.3-9.2000111.7
288E27.6Very low31.8Very low149 Ų149130.6 Ų130.670%0.69674%0.743SS**  cis-165.6172.8-1.6-142.1148.380.100113.4
289F27.7Very low31.6Very low185 Ų185128.8 Ų128.881%0.81175%0.746SS**  trans68.5161.4161.3-83.4-73.8000122.5
290D26.4Very low32Very low145 Ų145126.8 Ų126.878%0.77574%0.742SS**  trans-163.5174.4-154-153.820.9000108.7
291P59Low31.6Very low101 Ų101124.4 Ų124.466%0.65674%0.739SS**  cis-121.1-141.9-12.341.5-21.6000110.1
292P48.1Very low31.4Very low120 Ų120124.7 Ų124.778%0.77974%0.737SS**  cis-128.1-149.5-13.833-6.6000111.8
293S24.7Very low30.8Very low98 Ų98127.1 Ų127.169%0.68574%0.739SS**  cis-162.6168.11079.70000115.4
294T26.9Very low30.5Very low111 Ų111130.1 Ų130.168%0.68174%0.74SS**  trans35.296.3147.8-46.30000122.4
295F24.2Very low30.4Very low195 Ų195130.9 Ų130.986%0.85574%0.741SS**  39.2160.8115.9-61-59.2000123.3
296P43Very low30.6Very low113 Ų113129.7 Ų129.773%0.73474%0.74SS**  cis-146.1-173.5-35.842-23.5000116
297A24.6Very low30.8Very low84 Ų84130.5 Ų130.569%0.69474%0.743SS**  trans83.6120.7139.200000124.5
298S26.1Very low29.9Very low100 Ų100134.9 Ų134.970%0.69975%0.753SS**  trans43.6120.8134.665.60000125.1
299V25.4Very low29.8Very low134 Ų134133.3 Ų133.381%0.81275%0.754SS**  62.8142.9124.7-178.70000119.2
300P42.3Very low29.8Very low115 Ų115133.3 Ų133.375%0.74776%0.756SS**  cis-116.9-124.8-5.224.81.8000111.6
301C22.7Very low29.9Very low107 Ų107129.5 Ų129.572%0.72375%0.751SS**  cis-166.9166.1-3.9-138.90000114.9
302V24.1Very low28.4Very low109 Ų109133.2 Ų133.266%0.66176%0.762SS**  trans58.6115.5149.21690000123.1
303R23.4Very low27.4Very low231 Ų231132.2 Ų132.287%0.87276%0.764SS**  trans39.7172.8132.4-53.2-176.5172.8-168.8-1.3123.5
304I22.2Very low27.5Very low153 Ų153134.8 Ų134.879%0.78577%0.765SS**  trans91141.3160.5-59.9170000114.6
305T22.2Very low27.6Very low118 Ų118137.5 Ų137.572%0.72477%0.768SS**  cis-166.4159.6-27.9-82.70000107.2
306L33.3Very low27.7Very low163 Ų163137.3 Ų137.385%0.85377%0.769SS**  trans-75.5142.4174.6-72.9168.9000114.6
307P31Very low26.9Very low114 Ų114134.8 Ų134.874%0.7476%0.764SS**  trans-122.5176146.438.1-27.5000111.8
308F23.4Very low27.7Very low187 Ų187137 Ų13782%0.8277%0.771SS**  cis-178.4108.3-43.6-146.6-94.5000106
309T26.1Very low27.8Very low117 Ų117142.5 Ų142.572%0.71878%0.776SS**  trans36156.9155.260.20000126.1
310E27.2Very low27.9Very low184 Ų184142.4 Ų142.486%0.8677%0.771SS**  trans100.7128148.3-157.4163-147.600117.9
311G27.3Very low27.2Very low66 Ų66145.7 Ų145.768%0.6877%0.774SS**  cis178.2172.4-900000116.1
312M28.2Very low27.3Very low179 Ų179148.2 Ų148.288%0.88278%0.777SS**  trans73.6130.2160.6-55.9-166.1-176.800124.3
313A28.2Very low27.3Very low99 Ų99148.6 Ų148.682%0.81878%0.779SS**  trans60.9153.6146.800000121
314E26.2Very low27.5Very low152 Ų152142.5 Ų142.571%0.7177%0.768SS**  cis-144.4-161.7-1.2-141.9-167.712700112.2
315K28.6Very low27.7Very low168 Ų168142.5 Ų142.573%0.7377%0.765SS**  trans-38.3156179.6-63.9162.5-173134.60115.7
316E25.9Very low28Very low190 Ų190142.6 Ų142.689%0.88877%0.765SS**  -167.8-173.657.8-151.7167.7-153.300113.8
317G27.2Very low27.7Very low60 Ų60143.4 Ų143.462%0.61977%0.765SS**  trans-153.2-174.4169.300000110.3
318P41.2Very low27.7Very low130 Ų130143.1 Ų143.184%0.84477%0.765SS**  cis-137.8-156.71941.9-21.2000114.5
319R28.3Very low28.1Very low217 Ų217143.5 Ų143.582%0.81977%0.769SS**  trans-56.1168.2163.8-70.3178.9-80.6-111.6-3.6112.6
320D26.5Very low28.1Very low131 Ų131141.6 Ų141.670%0.70177%0.773SS**  cis-166.8-18027.7-139.5-38.2000113.4
321K28.4Very low28.3Very low185 Ų185139.3 Ų139.380%0.80478%0.777SS**  trans72.8155.3163.6-69.9169.5-175.71790118.4
322M24.6Very low28.2Very low159 Ų159139.7 Ų139.778%0.78378%0.781SS**  cis149.9141.8-20164.6-177.7147.900107.8
323V25Very low28.2Very low117 Ų117138.8 Ų138.871%0.70978%0.775SS**  trans160.199.1153.91500000109.4
324T26.5Very low28.8Very low103 Ų103140.1 Ų140.163%0.63278%0.775SS**  90.6157.3111.974.20000114.3
325E26.8Very low29Very low154 Ų154140.4 Ų140.472%0.7278%0.777SS**  cis-156.9169.96.2-137.5149.3170.700112.7
326T27.3Very low29Very low120 Ų120139.8 Ų139.874%0.73678%0.776SS**  trans59.6152.1162.8560000119.6
327E28Very low28.9Very low180 Ų180137.6 Ų137.684%0.84177%0.77SS**  cis-156.7-179.42.9-134.6175.9120.300113.5
328S30.6Very low28.9Very low107 Ų107139.9 Ų139.975%0.74878%0.777SS**  trans78.169.6154.7-162.50000122.3
329Q31.7Very low28.4Very low195 Ų195143 Ų14391%0.91178%0.78SS**  2.9144.4125.9-169.2175.721.900121.2
330G27.2Very low28.5Very low77 Ų77141.8 Ų141.879%0.79478%0.783SS**  trans169.8135.8160.500000114.4
331S31.2Very low28.4Very low136 Ų136144.4 Ų144.495%0.95179%0.791SS**  trans-134.9160.1-178.6-1700000112.3
332G24.4Very low28.5Very low74 Ų74141.7 Ų141.776%0.76379%0.79SS**  trans-176.4134.3174.300000113.5
333E27.3Very low28.5Very low160 Ų160140.5 Ų140.575%0.74879%0.791SS**  trans-105.4176.5-177.4-148178.982.300111.1
334P41.3Very low28.5Very low127 Ų127142.4 Ų142.483%0.82580%0.797SS**  -148.1175.894.839.7-22.3000116.7
335E30.3Very low28.4Very low159 Ų159141.6 Ų141.674%0.74380%0.802SS**  trans-100.9-160.6-168.5-152.2176.9-170.100113.9
336E28.1Very low28.3Very low154 Ų154139.8 Ų139.872%0.7281%0.806SS**  trans76.5138.6170.7-60.1-83.2112.800117.7
337L24.3Very low28.9Very low144 Ų144139.3 Ų139.375%0.75481%0.805SS**  cis-158.7160.9-20-171.762.2000108.6
338S28.4Very low28.8Very low109 Ų109137.7 Ų137.776%0.76280%0.801SS**  trans-127.4140.317459.20000112.2
339E29.7Very low28.7Very low196 Ų196139.9 Ų139.992%0.91680%0.804SS**  trans-120137.7173.862.6-169.8148.600112.1
340E29.9Very low28.6Very low191 Ų191135.1 Ų135.189%0.89380%0.797SS**  trans-122.5144.2169.8-68.3-168.3143.600108.8
341E26.2Very low29Very low186 Ų186135.5 Ų135.587%0.86980%0.801SS**  trans-131.4138.9165-166.8175.1-156.300110.8
342V28.7Very low29.1Very low127 Ų127134.4 Ų134.477%0.7779%0.794SS**  trans-108.3123.4-174.6175.80000110.3
343V25.4Very low29.3Very low134 Ų134136.6 Ų136.681%0.81280%0.796SS**  trans-124.6129.7166.8-177.50000110
344N24.8Very low29.6Very low157 Ų157134.7 Ų134.784%0.8480%0.795SS**  trans-116.7109.2-171.2-178.718.6000110.3
345A25Very low29.1Very low87 Ų87134.6 Ų134.672%0.71980%0.796SS**  trans-159.8135.5171.800000115.8
346S23.7Very low29.3Very low116 Ų116133.3 Ų133.381%0.81180%0.799SS**  trans-146.8148.3144.2-81.10000104.9
347P41.2Very low29.3Very low109 Ų109130.9 Ų130.971%0.70880%0.799SS**  cis-149.6-166.747.231-4.7000116.2
348L26.2Very low29.6Very low146 Ų146132.2 Ų132.276%0.76481%0.806SS**  trans100.3126152.6-53.4-174.7000120.8
349L27.9Very low29.6Very low154 Ų154133.5 Ų133.581%0.80681%0.809SS**  trans54.6120.7145.8-8294.6000122.8
350A30.3Very low29.8Very low94 Ų94135.2 Ų135.278%0.77781%0.807SS**  62.492.6125.500000120.3
351G35.8Very low29.9Very low85 Ų85134.8 Ų134.888%0.87681%0.805SS**  80.589.6121.100000118.3
352S32Very low30.4Very low113 Ų113131.8 Ų131.879%0.7980%0.802SS**  trans-145.4140.7151.7-171.60000110.3
353C29.8Very low30.4Very low121 Ų121133.6 Ų133.682%0.81881%0.806SS**  trans-89.1126.3178.4-61.20000110.3
354V32.9Very low30.9Very low119 Ų119136.8 Ų136.872%0.72181%0.812SS**  trans-127.1117172.6-177.40000109.4V356V354-V356 HydrophobicContact CG1-CG2 4.17Å
355C29.9Very low31.4Very low126 Ų126135.5 Ų135.585%0.85181%0.81SS**  trans-88.5117.7170.8-61.90000108.9
356V34.2Very low31.7Very low132 Ų132134.8 Ų134.880%0.881%0.811SS**  trans-99114.1175.6-178.50000109.5V354V354-V356 HydrophobicContact CG1-CG2 4.17Å
357S29.6Very low32.3Very low103 Ų103138.5 Ų138.572%0.7282%0.815SS**PPolyproline II helixtrans-82.6146.8168.1-580000110.5V359S357-V359 PolarHBondContact O-N 2.96Å
358L29.3Very low32Very low171 Ų171140.1 Ų140.190%0.89582%0.818SS**PPolyproline II helixtrans-61.2119173.8-101.970.1000110.6
359V30.2Very low32.9Very low136 Ų136141.2 Ų141.282%0.82482%0.819SS**PPolyproline II helixtrans-83.2137.8158.3179.40000107.8S357S357-V359 PolarHBondContact O-N 2.96Å
360R33.3Very low33.2Very low233 Ų233140.8 Ų140.888%0.87982%0.818SS**  trans-121.7131.8172.6-128.3-179.8-176.9162.20.3107.3
361E31.2Very low33.2Very low182 Ų182141.2 Ų141.285%0.8581%0.814SS**PPolyproline II helixtrans-68.6146.2173.9-69.9165.8116.400110.6
362P36.4Very low33.1Very low123 Ų123141.7 Ų141.780%0.79980%0.804SS**PPolyproline II helixtrans-80147.4-175.432.4-34.9000112.4
363L29.7Very low33.1Very low165 Ų165145.6 Ų145.686%0.86481%0.809SS**PPolyproline II helixtrans-80135162.8-81.7155000109.5V365L363-V365 PolarHBondContact O-N 3.2Å
364E35.3Very low33.2Very low200 Ų200144.2 Ų144.294%0.93581%0.807SS**PPolyproline II helixtrans-65.6126.2167.4-65.3-174.7130.500110.1
365V35.9Very low33.2Very low131 Ų131144.8 Ų144.879%0.79481%0.811SS**  trans-125.7114.4169.8175.40000107L363L363-V365 PolarHBondContact O-N 3.2Å
366G31.2Very low33.4Very low72 Ų72146.1 Ų146.174%0.74281%0.807SS**  trans-68.5146.8179.100000112.6
367E36.2Very low33.9Very low193 Ų193145.3 Ų145.390%0.90281%0.805SS**  trans-78140.5-173.6-60.7163.8112.200113.1
368N35.6Very low33.8Very low143 Ų143143.8 Ų143.877%0.76581%0.806SS**  trans-158127.9134.949.65.6000112.4
369E44.4Very low33.9Very low169 Ų169142.7 Ų142.779%0.7981%0.806SS**  trans19.9121155.5-34.2-48.5101.500117.6
370D34.6Very low34Very low146 Ų146141.9 Ų141.978%0.78181%0.807SS**  -168.1156.563.9-148.1-20.1000114.9
371C28.8Very low33.8Very low102 Ų102134.9 Ų134.969%0.68981%0.807SS**  trans7.5125163.7-75.90000125.1
372S34.1Very low33.9Very low96 Ų96132.5 Ų132.567%0.67181%0.805SS**  85.4119.1118.4-66.70000123.5
373Q33.5Very low33.5Very low194 Ų194132.7 Ų132.791%0.90781%0.807SS**  trans71.4141.8154.9-57.2178.233.300116.8
374A31.3Very low33.5Very low93 Ų93130.4 Ų130.477%0.76981%0.806SS**  cis-144161.98.400000113.8
375V32.3Very low33.4Very low131 Ų131127 Ų12779%0.79480%0.802SS**  trans-112.3154.2163.4-171.20000104.7
376I34.5Very low33.2Very low153 Ų153124.9 Ų124.979%0.78581%0.807SS**  -159.7-170.360.2-19.9179.5000109.6
377P43.8Very low33.1Very low116 Ų116124.9 Ų124.975%0.75381%0.807SS**  -129.2177-110.644.5-27.3000117
378G29.3Very low33Very low71 Ų71124 Ų12473%0.73281%0.808SS**  101.3118.1122.800000119.4
379T30.9Very low32.9Very low148 Ų148127 Ų12791%0.90882%0.817SS**  trans-135.4134.514943.70000109.2
380S30.8Very low32.3Very low119 Ų119122.3 Ų122.383%0.83281%0.814SS**  trans-99129.8-176.2-550000111.3
381G29.5Very low32.2Very low85 Ų85124.1 Ų124.188%0.87682%0.815SS**  trans-100.9102.4168.300000110.9
382T33.2Very low32.2Very low132 Ų132128.6 Ų128.681%0.8182%0.817SS**  trans-86.6127.3174.846.50000111.3
383C27.6Very low32Very low127 Ų127131.5 Ų131.586%0.85883%0.825SS**  trans-73.415516455.80000110.9
384S30.9Very low32Very low118 Ų118125.4 Ų125.483%0.82581%0.814SS**  trans-151.4129.3172.6-165.70000110.3
385C33Very low32.2Very low128 Ų128129.8 Ų129.887%0.86582%0.819SS**  trans-121.9134.7173-66.70000108.1
386G30.8Very low32.2Very low86 Ų86130.9 Ų130.989%0.88782%0.815SS**  trans-161.9142.9177.100000110
387G30.6Very low32Very low73 Ų73129.6 Ų129.675%0.75381%0.81SS**  trans-133.3165.5-177.100000112.6
388L34.4Very low31.6Very low175 Ų175134.3 Ų134.392%0.91681%0.813SS**  trans34.9105.5159.8-61.4175.4000118.3
389E31.9Very low31.9Very low206 Ų206138.2 Ų138.296%0.96381%0.81SS**  -163.2169.4112.2-109.4-169.1161.600110
390G33.3Very low32.1Very low70 Ų70137.7 Ų137.772%0.72280%0.797SS**  trans-161.3149.1178.400000114.2
391K31.5Very low32.3Very low184 Ų184137.9 Ų137.980%0.879%0.789SS**  trans-167.1147.7167.6-125.6168.2-176.8159.70114.4
392R28.1Very low32.5Very low196 Ų196141.7 Ų141.774%0.7478%0.781SS**  trans68.6105.4157.1-77.3177.8-74.4-154.2-0.9119.8
393D31.6Very low32.4Very low156 Ų156145.2 Ų145.283%0.83478%0.78SS**  47132103.2-42-25.8000120.2
394G32.5Very low32.7Very low66 Ų66144.7 Ų144.768%0.6877%0.768SS**  trans159.479.7156.100000117.2
395E35.2Very low32.7Very low186 Ų186145.8 Ų145.887%0.86977%0.765SS**  trans56.1169.1149.4-66.1173.7131.100117.7
396E33.1Very low32.6Very low153 Ų153151 Ų15172%0.71577%0.766SS**  cis-145.9171-24.4-121.1-163.1148.300104.8
397N31.1Very low32.9Very low126 Ų126154.2 Ų154.267%0.67476%0.762SS**  cis-146.3-164.513.3-148.9-50000110.3
398R34.6Very low33.6Very low215 Ų215156.5 Ų156.581%0.81176%0.763SS**  trans-131.9178.3-156.3-164176.9-173.9166.22.4111.9
399K35.8Very low33.6Very low154 Ų154157.2 Ų157.267%0.6776%0.762SS**  trans85.8146.5160.7-61.5179.8159.8-73.40117.7
400E34Very low33.5Very low136 Ų136155.6 Ų155.664%0.63675%0.754SS**  cis-168.6147.6-20.2-118.1158.9-172.300110.3
401D35.7Very low33.4Very low124 Ų124160.7 Ų160.766%0.66376%0.757SS**  trans55.7166148.7-81.512.5000120.3
402K33.6Very low33.3Very low164 Ų164157.9 Ų157.971%0.71376%0.755SS**  cis-150.5120.45.3-127.2155.1-176.4950106.9
403R30.9Very low33.4Very low207 Ų207155.1 Ų155.178%0.78176%0.755SS**  74.4124.185177.5-178.1-92.9-123.9-2.6116.6
404N33.9Very low33.3Very low116 Ų116156.1 Ų156.162%0.6275%0.754SS**  trans84.5115.9154.5-74.74000122.8
405N31.4Very low33.1Very low141 Ų141161 Ų16175%0.75476%0.76SS**  45.2139.1119.5-48.72.5000119.6
406R29.9Very low32.8Very low236 Ų236160 Ų16089%0.89175%0.752SS**  cis-156.5167.246.2-66.1176.8-177.3-129.10.9113.5
407I38Very low32.5Very low155 Ų155159.3 Ų159.380%0.79576%0.759SS**  trans-101.4148.7156.9-64.4169.6000108.8
408P44.5Very low32.2Very low121 Ų121156.6 Ų156.679%0.78676%0.76SS**  trans-124.6171.314037.2-28.1000112.4
409E34.9Very low31.8Very low190 Ų190152.1 Ų152.189%0.88876%0.762SS**  trans-103.9-178.4-159.1-60.5174.586.500115.6
410E30.2Very low31.2Very low171 Ų171150.3 Ų150.380%0.79977%0.769SS**  trans105.578.7142.2-147.3162.2-148.300120.9
411K31.8Very low30.9Very low177 Ų177151.9 Ų151.977%0.7778%0.778SS**  53.5124.1105.5-160.4-170.1-169178.60119.8
412V28.1Very low30.5Very low126 Ų126150.6 Ų150.676%0.76478%0.779SS**  172.1155.9120.3153.60000110.3
413D30.5Very low30.2Very low138 Ų138151.8 Ų151.874%0.73879%0.787SS**  trans-54.3173.7177.8-53.2-98.9000114.6
414Q30.5Very low30Very low177 Ų177150.5 Ų150.583%0.82779%0.792SS**  cis-168.5166.138.6-156.11704.400114.1
415E26.9Very low29.5Very low169 Ų169150.7 Ų150.779%0.7980%0.801SS**  trans69.1164.5168.1-61.3-147.5101.400120
416K30.4Very low29.3Very low163 Ų163150.5 Ų150.571%0.70981%0.805SS**  cis-173.7133.8-48.8-173.7-178.5174.8-176.60109.4
417T26.5Very low29.1Very low139 Ų139150.3 Ų150.385%0.85380%0.804SS**  trans59.9161.1173.430.10000115.7
418G24.9Very low28.5Very low69 Ų69147.8 Ų147.871%0.71180%0.8SS**  cis-166.8170.3-1.800000111.5
419S25.3Very low27.7Very low121 Ų121149 Ų14985%0.84680%0.8SS**  trans-72.2150.1-173.1-174.10000114.4
420S24.2Very low27.2Very low116 Ų116146.3 Ų146.381%0.81180%0.796SS**  trans-146.4150.1153.7-171.30000111
421M27.1Very low26.9Very low169 Ų169143 Ų14383%0.83379%0.792SS**  trans-105.2-171.4177-80.7-150.271.900112.4
422S26.2Very low26.7Very low97 Ų97140.8 Ų140.868%0.67879%0.792SS**  trans8887.6159.679.60000120.2
423E28.5Very low26.4Very low190 Ų190140.3 Ų140.389%0.88879%0.793SS**  68.1146.6114.1-71.6-163.9111.500125.1
424M25.5Very low28Very low180 Ų180138.3 Ų138.389%0.88779%0.788SS**  trans82116.7146.8-158.6177.2-141.400120.7
425C24.1Very low28.9Very low120 Ų120135.5 Ų135.581%0.81179%0.785SS**  trans-160141.1144.2-115.80000116.3
426V27.8Very low29.2Very low137 Ų137134.1 Ų134.183%0.8378%0.782SS**  trans74.5152.2153.6-1740000119.6
427R25.5Very low29.4Very low231 Ų231132.5 Ų132.587%0.87278%0.78SS**  trans-114.5159.5-174.7-56.4167.3166.7116.8-6.9110.5
428S24.6Very low29.6Very low102 Ų102133 Ų13371%0.71377%0.773SS**  152.5155.498.3-150.60000116
429L27.4Very low30.1Very low148 Ų148134.1 Ų134.178%0.77577%0.769SS**  trans77113161.4-57.8178.5000122.1
430V25.4Very low30.6Very low133 Ų133133.1 Ų133.181%0.80676%0.762SS**  69.3126.9129.8177.40000117.6
431S24.5Very low31.3Very low102 Ų102133.2 Ų133.271%0.71376%0.763SS**  cis-161156.521.7-138.80000115.2
432V26.1Very low31.7Very low129 Ų129130.8 Ų130.878%0.78276%0.763SS**  trans51.4116.9150.7178.70000121.9
433C23.1Very low32.1Very low116 Ų116131.9 Ų131.978%0.78477%0.77SS**  trans-128.2-163.7147.1-65.30000107.2
434P64Low33.3Very low96 Ų96128.5 Ų128.562%0.62377%0.765SS**  -114.6-149.9-65.533.6-14.9000110.5L436P434-L436 HydrophobicContact CG-CD1 4.04Å; P434-L436 HydrophobicContact CG-CG 4.09Å
435P48.6Very low33.6Very low118 Ų118124.5 Ų124.577%0.76676%0.76SS**  -133.1160.492.214.97.7000113.3
436L34.8Very low35.1Very low140 Ų140124.5 Ų124.573%0.73376%0.759SS**  cis80.1142.134.4-67.4165.7000114.6P434P434-L436 HydrophobicContact CG-CD1 4.04Å; P434-L436 HydrophobicContact CG-CG 4.09Å
437I33.9Very low36.7Very low130 Ų130123.5 Ų123.567%0.66776%0.755SS**  cis-133-170.96.2-4.8178.4000109.4
438H30.2Very low36.8Very low150 Ų150118.3 Ų118.369%0.69475%0.754SS**  cis-141.4-179.715.5-101.2-49.8000109.6
439S36.5Very low36.9Very low92 Ų92121 Ų12164%0.64376%0.761SS**  cis84.3145.528.6-29.50000115.5
440S34.3Very low38Very low100 Ų100119.9 Ų119.970%0.69976%0.762SS**  cis-154.613917.4-51.10000117.2
441S38.7Very low38.3Very low118 Ų118121.1 Ų121.183%0.82576%0.763SS**  trans60.8157.8136.270.40000122.5
442S35.3Very low39.1Very low118 Ų118121.9 Ų121.983%0.82577%0.766SS**  cis-151.1161.28.555.70000113.1
443S35.7Very low39.4Very low120 Ų120124.4 Ų124.484%0.83977%0.769SS**  trans-165.1147.3176.8-169.90000114.8
444P53.1Low39.5Very low118 Ų118126.6 Ų126.677%0.76677%0.772SS**  trans-138166.2179.642.9-27.5000119.5
445A31.6Very low37.7Very low96 Ų96127.4 Ų127.479%0.79378%0.779SS**  trans64.2101.8148.100000124
446P56Low36.8Very low121 Ų121128.8 Ų128.879%0.78678%0.779SS**  trans-110.2-152.9157.444.6-34.3000110.6
447P62.2Low37.2Very low115 Ų115127.7 Ų127.775%0.74778%0.78SS**  cis-135.9179-14.742-24.9000116.2
448S26.5Very low37.1Very low122 Ų122129 Ų12985%0.85379%0.788SS**  trans-167.1164.3143.835.90000113.7
449N27.4Very low37.2Very low160 Ų160126.7 Ų126.786%0.85679%0.788SS**  trans-104.1176.9-164.4-80-14.4000114.1
450P49.5Very low36.9Very low123 Ų123131.2 Ų131.280%0.79980%0.799SS**  cis-134.5-171.1-2835.4-14.6000114.8
451L32.8Very low36.6Very low159 Ų159130.9 Ų130.983%0.83280%0.803SS**  trans-68163.2165.8-93.3155.9000113.2
452P41.3Very low36.2Very low119 Ų119133.7 Ų133.777%0.77381%0.808SS**  -147.6-153.652.344.1-22000117.1
453E31Very low35.7Very low181 Ų181132.4 Ų132.485%0.84680%0.804SS**  trans-60.1154.3-173.7-49.1174.4116.200117
454L25.5Very low35.3Very low163 Ų163133.2 Ų133.285%0.85380%0.804SS**  trans-168.5167.5135.6-121.6132.6000114.7
455C27.7Very low34.5Very low112 Ų112133.6 Ų133.676%0.75781%0.807SS**  trans-92.3-161.9178.9-50.60000113.9
456L28.5Very low34.5Very low147 Ų147137.9 Ų137.977%0.7781%0.81SS**  trans91.8165.9165.6-55.7173.3000116.3
457P44.3Very low33Very low118 Ų118140.1 Ų140.177%0.76682%0.815SS**  cis-131.5-178.81.726.3-1.9000117.4
458L31.9Very low31.4Very low158 Ų158144.8 Ų144.883%0.82782%0.818SS**  trans-72.9158.6167.4-86.564.7000113.9
459S31.1Very low31.3Very low100 Ų100144.8 Ų144.870%0.69982%0.818SS**  151.4169.1118.7670000110.8
460Q31.2Very low31.3Very low187 Ų187142.1 Ų142.187%0.87481%0.807SS**  cis-152.2-175.311.6-143.4156.5114.600109.4
461A28.2Very low30.4Very low94 Ų94144 Ų14478%0.77781%0.809SS**  trans-120.1154.6-174.900000113.9
462L28.4Very low30.1Very low176 Ų176141.2 Ų141.292%0.92180%0.803SS**  trans157.8158.8133.4-169.360.2000112.5
463A26Very low29.5Very low91 Ų91142.2 Ų142.275%0.75280%0.802SS**  trans100.1109.3159.900000120.2
464T27.7Very low29.5Very low137 Ų137142.8 Ų142.884%0.8480%0.802SS**  trans-66.3160.3158.735.60000112.8
465P36.4Very low29.6Very low126 Ų126139.4 Ų139.482%0.81879%0.792SS**  -146.6164.251.440.6-20.4000120.1
466Q31Very low29.8Very low187 Ų187142 Ų14287%0.87480%0.797SS**PPolyproline II helixtrans-84147.8164.1-81.5-77.513.500111.3
467L25Very low29.7Very low167 Ų167142.6 Ų142.687%0.87480%0.8SS**PPolyproline II helixtrans-102.7132.7173.9-173.762.1000111.4
468R27.3Very low28.9Very low214 Ų214145.3 Ų145.381%0.80880%0.8SS**PPolyproline II helixtrans-77.7154.7175.8-78.7175.2165.8160.7-5.8112.3
469S25.2Very low28.7Very low122 Ų122144.9 Ų144.985%0.85379%0.793SS**  trans-119.1147.1133.7600000110.1
470T27.7Very low28.6Very low104 Ų104146.5 Ų146.564%0.63879%0.794SS**  trans-140.6159.2179.444.70000106.8
471L30.5Very low28.6Very low161 Ų161145 Ų14584%0.84379%0.787SS**  cis-170.2169.347.8-168.573.2000111.3
472S26.2Very low28.6Very low101 Ų101148 Ų14871%0.70679%0.789SS**  trans103.961.9141.6-155.40000121.1
473D28.8Very low28.6Very low140 Ų140148 Ų14875%0.74978%0.778SS**  34128.8113.1-174.223.8000121.1S475D473-S475 PolarHBondContact OD1-N 3.43Å
474K29.8Very low28.7Very low194 Ų194154.2 Ų154.284%0.84378%0.782SS**  -155.4108.9128.7-119173.8-173.9176.50116
475S29.5Very low28.8Very low92 Ų92155.5 Ų155.564%0.64378%0.783SS**  trans59.4101.7142.566.60000122.8D473D473-S475 PolarHBondContact OD1-N 3.43Å
476L30.2Very low28.5Very low165 Ų165153.8 Ų153.886%0.86478%0.779SS**  59.2122.7109.4-154.790000121.9
477I27.5Very low28.7Very low160 Ų160150.4 Ų150.482%0.82178%0.776SS**  -168.2161.1120.1-99161.5000111.6
478K26.9Very low28.9Very low176 Ų176149.1 Ų149.177%0.76578%0.776SS**  trans-58.4172.2-173-56.5-179.2172.2-175.80114.7
479Q28.8Very low29.1Very low148 Ų148147.5 Ų147.569%0.69278%0.777SS**  cis-164.4143.930.1-163.3159.3-12.300117.2
480D28.3Very low29.4Very low135 Ų135147.2 Ų147.272%0.72278%0.775SS**  trans41.4160151.3-52.7-21.3000124.9
481E31.6Very low29.5Very low156 Ų156149.5 Ų149.573%0.72978%0.784SS**  trans-80.7172.7-178.3-41.6176.6106.600114
482L28.4Very low29.5Very low155 Ų155146.7 Ų146.781%0.81278%0.778SS**  -168.6118.7104.5-113.8120.8000114.6
483Y27.3Very low29.7Very low178 Ų178147.7 Ų147.770%0.69878%0.779SS**  trans52.6111146.5-78.2-102.8000123.7
484R29Very low29.8Very low221 Ų221151 Ų15183%0.83478%0.781SS**  -0.6143.3122.7-90.3-171.6176.1-164.12.2117.8
485L29.4Very low30Very low163 Ų163148.8 Ų148.885%0.85378%0.779SS**  -159177.195-105.7172.9000112.6
486A29.7Very low30.1Very low90 Ų90151.5 Ų151.574%0.74479%0.786SS**  trans-117.2169-160.300000114.6
487S34.9Very low30.2Very low116 Ų116148.4 Ų148.481%0.81179%0.785SS**  trans-69.2149.9176.2-36.10000114.1
488T30.5Very low30.3Very low141 Ų141145 Ų14587%0.86578%0.781SS**  trans-154.6154.2149.9380000110.8
489E31.1Very low30.4Very low179 Ų179142.7 Ų142.784%0.83679%0.786SS**  trans-64.1164.7172.5-65.4147.192.900112.1
490S31Very low30.4Very low116 Ų116139.5 Ų139.581%0.81179%0.785SS**  177.2175.971.240.50000113.9
491D29.9Very low30.5Very low152 Ų152141.2 Ų141.281%0.81379%0.791SS**  trans-39.6150.7-175.3-81-71.6000120.2
492S29.8Very low30.4Very low103 Ų103139.1 Ų139.172%0.7279%0.789SS**  176.8134.69846.20000117.8
493T31.9Very low30.6Very low121 Ų121139.6 Ų139.674%0.74279%0.791SS**  trans54.4111146.550.40000123.7
494R30.5Very low30.7Very low210 Ų210137.3 Ų137.379%0.79280%0.796SS**  75115112.8-163.5-167.4-142.1158.56.6120.3
495N33.9Very low30.9Very low147 Ų147132 Ų13279%0.78679%0.792SS**  -169163.2117.8-95.9-33.5000113.7
496N31.6Very low30.8Very low149 Ų149129 Ų12980%0.79779%0.791SS**  trans-92.2143.5-156-43.5-50.4000116
497A31.5Very low30.8Very low101 Ų101130.1 Ų130.184%0.83579%0.789SS**  trans-172.1149.5134.600000109.7
498A29.3Very low30.5Very low89 Ų89131.9 Ų131.974%0.73679%0.786SS**  cis166.9117.6-34.400000106.4
499S29.2Very low30.4Very low126 Ų126132.7 Ų132.788%0.88178%0.782SS**  trans63.4154.7173.9-67.30000117.5
500A29.2Very low30.3Very low82 Ų82128.1 Ų128.168%0.67877%0.77SS**  cis-153.8133.9-15.800000106.9
501M31.7Very low30.2Very low171 Ų171128.4 Ų128.484%0.84277%0.767SS**  99.2133.764.8-149.2-154.7-62.500112.5
502T29Very low30.2Very low111 Ų111126.1 Ų126.168%0.68176%0.762SS**  trans80.388.9155.1-49.20000120.9
503L31.7Very low30.2Very low165 Ų165126.3 Ų126.386%0.86477%0.771SS**  21.5163.8108.6-92.5165.8000122.8
504V30.3Very low30Very low130 Ų130124.2 Ų124.279%0.78877%0.773SS**  trans104.9128.7158.2-170.40000117.1
505S32.4Very low29.8Very low109 Ų109122.4 Ų122.476%0.76277%0.773SS**  trans-83.6155-173.2-35.20000114.9
506A28.6Very low29.5Very low100 Ų100121.4 Ų121.483%0.82677%0.767SS**  trans-152.3154.5144.700000108.9
507V28.6Very low29.2Very low115 Ų115123.7 Ų123.770%0.69777%0.766SS**  cis159.4123.8-32.8147.70000106.6
508M29.7Very low29.1Very low153 Ų153125.5 Ų125.575%0.75476%0.761SS**  trans84.2140.4152.8-90.5173.8-174.400124.7
509M28.3Very low28.9Very low157 Ų157128.1 Ų128.177%0.77376%0.762SS**  trans66.7150.3149.6-64.5-25.3175.900120.2
510S27.9Very low28.7Very low84 Ų84128.6 Ų128.659%0.58775%0.749SS**  cis-173.6152.8-19.5-179.50000110.5
511T28.2Very low28.8Very low121 Ų121130.9 Ų130.974%0.74276%0.757SS**  trans59.7139.314841.20000124.7
512S30.2Very low28.6Very low104 Ų104128.7 Ų128.773%0.72775%0.745SS**  trans68.4100.6138.162.80000122.7
513A30.8Very low28.6Very low108 Ų108130.6 Ų130.689%0.89375%0.746SS**  36.9135.9112.900000121.9
514G27.2Very low28.5Very low76 Ų76126.6 Ų126.678%0.78474%0.736SS**  trans176.280.5168.600000116.6
515E27.2Very low29.2Very low172 Ų172126.6 Ų126.680%0.80474%0.739SS**  trans50.3137.6140.6-71.1-140.9111.700126.7
516L26.2Very low28.9Very low126 Ų126130.3 Ų130.366%0.6674%0.736SS**  trans74.2119.9134.4-66.4170.5000125.1
517Y26.1Very low29.6Very low198 Ų198131.5 Ų131.578%0.77674%0.736SS**  91.5126.3128.3-100.1-131000125.4
518L28.5Very low29.7Very low139 Ų139132.1 Ų132.173%0.72873%0.731SS**  trans60.6101.8138.7-113.270.3000123.9
519D25.6Very low30.3Very low143 Ų143130.9 Ų130.977%0.76573%0.734SS**  61.4149.5115.4-159.737.4000124.2
520K25.9Very low30.1Very low136 Ų136126.6 Ų126.659%0.59173%0.73SS**  trans72.3141.9163.8-118.5-178.7176.7-172.30120.2
521P31.4Very low30.2Very low130 Ų130132.3 Ų132.384%0.84475%0.748SS**  -135.5172.8107.939.1-30.1000114.7
522Q26.9Very low30.1Very low126 Ų126130.1 Ų130.159%0.58975%0.749SS**  trans-150.3177.3177.7-150.9-174.5-74.600110.6
523E28.5Very low29.9Very low151 Ų151129.1 Ų129.171%0.70676%0.755SS**  trans66.8146.1179.6-89.236.2-116.300116
524A29.9Very low29.6Very low81 Ų81129.8 Ų129.867%0.66975%0.753SS**  cis-176.7-173.9-16.400000107.2
525P46.3Very low29.5Very low130 Ų130132 Ų13284%0.84476%0.756SS**  cis-129.9-175.8-6.640.6-23000115.2
526R25.7Very low29.5Very low186 Ų186127.3 Ų127.370%0.70275%0.753SS**  trans-94.3175.2175.6-151.9-163.4-79.3178.9-3.3112.1E528R526-E528 IonicContact CZ-OE1 2.66Å; R526-E528 IonicContact NH1-OE1 3.22Å; R526-E528 PolarHBondContact NH1-OE1 2.91Å
527P42.1Very low30.4Very low125 Ų125127.1 Ų127.181%0.81276%0.76SS**  -138.3166.1107.237.5-25.6000116.9
528E30.8Very low30.7Very low129 Ų129123.2 Ų123.260%0.60376%0.761SS**  trans-93.9-176178.3-86.7-86.1147.700111.2R526R526-E528 IonicContact CZ-OE1 2.66Å; R526-E528 IonicContact NH1-OE1 3.22Å; R526-E528 PolarHBondContact NH1-OE1 2.91Å
529P42Very low30.7Very low126 Ų126128.4 Ų128.482%0.81877%0.771SS**  cis-140.717115.142-23.1000119.6
530G24.7Very low31.1Very low67 Ų67130.1 Ų130.169%0.69177%0.774SS**  trans179.4115160.500000117.6
531Q30.1Very low31.1Very low205 Ų205131.8 Ų131.896%0.95879%0.789SS**  trans-76.8166.9172.8-62.3135.4-45.400112.3
532G25.6Very low31Very low74 Ų74135 Ų13576%0.76379%0.79SS**  cis158.5160.9-3.600000112.5
533G27Very low31Very low83 Ų83135.5 Ų135.586%0.85680%0.802SS**  trans76.9172177.900000115.5
534S24.9Very low30.8Very low122 Ų122133.2 Ų133.285%0.85380%0.803SS**  cis-159.8-172.3-11.5-164.10000110.2
535C25.1Very low30.7Very low124 Ų124136.4 Ų136.484%0.83881%0.808SS**  trans-66.9171.8-171.6-56.50000117.3
536G27.3Very low29.8Very low73 Ų73137.1 Ų137.175%0.75380%0.8SS**  trans-75.8-147.6174.800000115
537P44.8Very low29.9Very low122 Ų122136.6 Ų136.679%0.79281%0.805SS**  cis-139.9-166.719.944.6-25.4000116.1
538S31.7Very low29.1Very low115 Ų115135 Ų13580%0.80480%0.798SS**  trans36.5130.2152.7-600000123.2
539R28.8Very low28.9Very low249 Ų249136.8 Ų136.894%0.9481%0.806SS**  trans-156.8144134.7-130.9173.3-178173.80.3114.2
540E33.6Very low28.1Very low179 Ų179137 Ų13784%0.83680%0.799SS**  trans-85.8168.1171.4-56.7168.8106.600111.9
541N26.2Very low28Very low170 Ų170142 Ų14291%0.90980%0.804SS**  trans-169153.3137.8-98.5-22.9000111.9
542K29.3Very low27.6Very low199 Ų199137.2 Ų137.287%0.86579%0.794SS**  trans-149131.9-174171.5-171.9172.9-177.60112.6
543T27.3Very low27.4Very low135 Ų135138.8 Ų138.883%0.82879%0.793SS**  trans-169.8153.8168.3360000108.2
544S23.7Very low28.7Very low103 Ų103140.1 Ų140.172%0.7279%0.787SS**  cis176.9153.2-8.650.70000107.1
545L28.2Very low28.6Very low148 Ų148142.8 Ų142.878%0.77579%0.786SS**  cis-153.4-152.7-1.2-152.272.8000108.6
546E25.9Very low28.6Very low146 Ų146141.2 Ų141.268%0.68278%0.776SS**  trans56.5110.2161.2-83.3141.386.900119.1
547E28.3Very low28.5Very low174 Ų174144.8 Ų144.881%0.81378%0.777SS**  94.5144.475.4-86.5179.8-155.500111.9
548S26.4Very low27.6Very low93 Ų93147.4 Ų147.465%0.6578%0.779SS**  cis-136.5134.64.3-33.10000109.1
549E25.9Very low27.3Very low165 Ų165146.1 Ų146.177%0.77177%0.769SS**  80.912398.2-68.8-157.4121.900118.7
550L24.6Very low27.2Very low131 Ų131142.6 Ų142.669%0.68676%0.764SS**  trans67.6149.5140.3-89.455.8000120.7
551E22.8Very low26.8Very low171 Ų171141.6 Ų141.680%0.79976%0.763SS**  cis-146.7-161.9-1.5-151.5151.2-170.400112.4
552S21.8Very low26.8Very low106 Ų106138.5 Ų138.574%0.74176%0.761SS**  trans-100167.4-159.960.90000117.8
553S22.5Very low26.9Very low106 Ų106137.2 Ų137.274%0.74176%0.758SS**  trans-62.4-173161.1-28.30000113.3
554P53Low27.3Very low111 Ų111136.5 Ų136.572%0.72176%0.756SS**  cis-139.3-146.7-2.333.5-7.6000114.2
555E23.8Very low27.4Very low178 Ų178136.8 Ų136.883%0.83275%0.753SS**  trans78.6151.1167.1-48.4-168.5107.100117.1
556S23.8Very low27.6Very low91 Ų91136 Ų13664%0.63676%0.757SS**  cis-151.21244.3-150.80000109.4
557L25.8Very low27.7Very low149 Ų149134.8 Ų134.878%0.7876%0.76SS**  69.415698.2-64.5175.8000118.9
558H25.5Very low27.8Very low177 Ų177132.2 Ų132.282%0.81976%0.761SS**  trans74.9139.5-175.2-65.8-85.8000116.7
559S26.4Very low27.9Very low87 Ų87131.3 Ų131.361%0.60877%0.766SS**  cis-157.9162.4-8-114.50000110.7
560E26.6Very low28Very low176 Ų176131.7 Ų131.782%0.82277%0.773SS**  trans30.8119.4160.2-67.7167.398.100120.4
561L25.5Very low28.1Very low158 Ų158131.6 Ų131.683%0.82778%0.778SS**  8098.952.1-17173000114.9
562A26.7Very low28.6Very low105 Ų105129.5 Ų129.587%0.86878%0.782SS**  trans-154.9124.4151.900000109.4
563E30.7Very low28.9Very low171 Ų171127.7 Ų127.780%0.79978%0.78SS**  trans-145.6136.4-175.7179.2179.5-139.500110.1
564P34.6Very low29.5Very low121 Ų121127.1 Ų127.179%0.78678%0.776SS**  trans-103.4114.4168.533.7-25.1000112.2
565T27.3Very low28.9Very low108 Ų108130 Ų13066%0.66378%0.779SS**  trans-48.2163.7174.6-0.90000116.2T567T565-T567 VanDerWaalsContact CG2-OG1 3.27Å; T565-T567 WeakPolarHBondContact CG2-OG1 3.49Å
566P30.9Very low29.4Very low131 Ų131129.5 Ų129.585%0.85178%0.782SS**  -119.7147.3114.534.6-33.6000112.9
567T28.7Very low30.3Very low122 Ų122131.3 Ų131.375%0.74879%0.79SS**  trans-143.2150.1175.8-69.90000109.9T565T565-T567 VanDerWaalsContact CG2-OG1 3.27Å; T565-T567 WeakPolarHBondContact CG2-OG1 3.49Å
568S30.6Very low31Very low119 Ų119130.2 Ų130.283%0.83279%0.79SS**  trans-77.2161.6-173.755.80000113.9
569G27.8Very low31.4Very low74 Ų74131.6 Ų131.676%0.76379%0.793SS**  trans-162.582.5-177.700000116.6
570L27.8Very low32Very low174 Ų174134.5 Ų134.591%0.91180%0.801SS**  trans70.6140.2149.5-16263.1000120.4
571V28.1Very low32.3Very low129 Ų129131.7 Ų131.778%0.78280%0.8SS**  trans-110.6141.1167.6173.60000108.9
572S32.1Very low33Very low126 Ų126130 Ų13088%0.88180%0.802SS**  trans-121.2133.4160.8-171.40000108.4
573G29.6Very low33.6Very low68 Ų68127.8 Ų127.870%0.70179%0.789SS**  trans-130.7142.5-168.300000113.6
574S34.6Very low33.8Very low95 Ų95128.9 Ų128.966%0.66479%0.794SS**  trans-149.1108.9170.7640000111.3
575H40.9Very low33.9Very low171 Ų171129.5 Ų129.579%0.79280%0.796SS**SBendtrans67.273.1157.6-36.2-56.3000118.8
576N32.8Very low34.7Very low167 Ų167132.1 Ų132.189%0.89380%0.802SS**  -178.3155.4111.9-89.2-23.3000112
577T44.2Very low35.1Very low130 Ų130133.1 Ų133.180%0.79880%0.8SS**  trans-104116.9-167.550.80000113.4
578T39.5Very low35.6Very low126 Ų126133.2 Ų133.277%0.77380%0.801SS**  trans-148.9128.9153.8-54.60000108.7I580T578-I580 HydrophobicContact CG2-CG1 4.38Å
579F33.8Very low36.2Very low205 Ų205133.7 Ų133.790%0.89980%0.799SS**  trans-87.1131.9170.3-76-99.8000109.1
580I38.3Very low36.8Very low149 Ų149133 Ų13376%0.76479%0.791SS**  trans-126126165.5-59.4-179.8000106.9T578T578-I580 HydrophobicContact CG2-CG1 4.38Å
581S33.4Very low37.6Very low116 Ų116132.5 Ų132.581%0.81179%0.79SS**  trans-85121174.4-169.80000109.3G583S581-G583 PolarHBondContact O-N 2.86Å
582S39.9Very low38.2Very low124 Ų124132.4 Ų132.487%0.86779%0.789SS**  trans-74.767.3178.2-56.90000111.6
583G39.1Very low38.6Very low58 Ų58133.4 Ų133.460%0.59878%0.783SS**  trans-64.6133.4169.700000110.9S581 V585S581-G583 PolarHBondContact O-N 2.86Å; G583-V585 PolarHBondContact O-N 3.48Å
584Q35Very low39.1Very low193 Ų193134.8 Ų134.890%0.90278%0.778SS**  trans-75.5108.5-177.4-164.717016.800110.1M586Q584-M586 PolarHBondContact O-N 3.08Å; Q584-M586 VanDerWaalsContact O-N 3.16Å
585V38.5Very low39.3Very low135 Ų135135.7 Ų135.782%0.81878%0.779SS**  trans-72.3107.4-177.3-178.10000110.1G583G583-V585 PolarHBondContact O-N 3.48Å
586M43.3Very low38.9Very low163 Ų163137.6 Ų137.680%0.80378%0.781SS**  trans-78.5121.5166-65.9-164.5-63.200109.3Q584 V588Q584-M586 PolarHBondContact O-N 3.08Å; Q584-M586 VanDerWaalsContact O-N 3.16Å; M586-V588 PolarHBondContact O-N 2.97Å; M586-V588 VanDerWaalsContact O-N 3.14Å
587N38.6Very low39.2Very low151 Ų151135.3 Ų135.381%0.80777%0.772SS**  trans-78.196.3177.6-171.614.2000110.1
588V39.8Very low38.6Very low124 Ų124133.5 Ų133.575%0.75277%0.765SS**  trans-92100.2179.7-177.30000109.8M586 G590M586-V588 PolarHBondContact O-N 2.97Å; M586-V588 VanDerWaalsContact O-N 3.14Å; V588-G590 PolarHBondContact O-N 3.46Å
589T43.8Very low38.5Very low130 Ų130136.6 Ų136.680%0.79877%0.771SS**  trans-74.6113.3168.551.30000110
590G39.2Very low38.6Very low58 Ų58132.5 Ų132.560%0.59876%0.762SS**  trans-132.2139173.400000111.4V588 V592V588-G590 PolarHBondContact O-N 3.46Å; G590-V592 PolarHBondContact O-N 3.27Å
591D46Very low38.4Very low165 Ų165130.5 Ų130.588%0.88276%0.762SS**  trans-71.9116.3-178.4-69.1-38.9000111.5I593D591-I593 PolarHBondContact O-N 3Å
592V39Very low38.6Very low127 Ų127133.6 Ų133.677%0.7776%0.763SS**  trans-88.298.6177.5-175.90000110.1G590 V594G590-V592 PolarHBondContact O-N 3.27Å; V592-V594 HydrophobicContact CG1-CG2 3.96Å; V592-V594 PolarHBondContact O-N 2.96Å; V592-V594 VanDerWaalsContact O-N 3.13Å
593I40.6Very low38Very low147 Ų147133.7 Ų133.775%0.75476%0.764SS**  trans-78.894.2176.1-53.9179000109.9D591 V595D591-I593 PolarHBondContact O-N 3Å; I593-V595 HydrophobicContact CG2-CG2 3.99Å; I593-V595 PolarHBondContact O-N 3.43Å
594V40.4Very low37.8Very low97 Ų97136.3 Ų136.359%0.58877%0.773SS**  trans-8198.1174.6-173.50000110.3V592 Y596V592-V594 HydrophobicContact CG1-CG2 3.96Å; V592-V594 PolarHBondContact O-N 2.96Å; V592-V594 VanDerWaalsContact O-N 3.13Å; V594-Y596 HydrophobicContact CB-CE2 4.47Å; V594-Y596 HydrophobicContact CG1-CD2 3.84Å; V594-Y596 HydrophobicContact CG1-CE2 3.54Å; V594-Y596 PolarHBondContact O-N 3.03Å
595V38.3Very low37.8Very low114 Ų114135.1 Ų135.169%0.69177%0.773SS**  trans-81.499.9176.2-175.40000110.5I593 V597I593-V595 HydrophobicContact CG2-CG2 3.99Å; I593-V595 PolarHBondContact O-N 3.43Å; V595-V597 HydrophobicContact CG1-CG2 4.08Å; V595-V597 PolarHBondContact O-N 3.17Å
596Y33.5Very low37.6Very low211 Ų211138.1 Ų138.183%0.82778%0.778SS**  trans-75.7101.9169.8-83.5-87.8000111V594 S598V594-Y596 HydrophobicContact CB-CE2 4.47Å; V594-Y596 HydrophobicContact CG1-CD2 3.84Å; V594-Y596 HydrophobicContact CG1-CE2 3.54Å; V594-Y596 PolarHBondContact O-N 3.03Å; Y596-S598 PolarHBondContact O-N 3.3Å
597V38.4Very low37.1Very low119 Ų119134.4 Ų134.472%0.72178%0.782SS**  trans-84.493.1171-176.30000109.5V595 Q599V595-V597 HydrophobicContact CG1-CG2 4.08Å; V595-V597 PolarHBondContact O-N 3.17Å; V597-Q599 PolarHBondContact O-N 3.32Å
598S32.8Very low36.8Very low92 Ų92130.8 Ų130.864%0.64378%0.78SS**  trans-73103.2170.256.10000110.4Y596 T600Y596-S598 PolarHBondContact O-N 3.3Å; S598-T600 PolarHBondContact O-N 3.42Å
599Q35.7Very low37.1Very low190 Ų190130.3 Ų130.389%0.88878%0.78SS**  trans-71.297.3171.7-70.2-168.64800110.4V597V597-Q599 PolarHBondContact O-N 3.32Å
600T36.6Very low36.7Very low119 Ų119132.1 Ų132.173%0.7378%0.784SS**  trans-136.475.617856.50000112.2S598S598-T600 PolarHBondContact O-N 3.42Å
601S34.5Very low36.4Very low107 Ų107132.9 Ų132.975%0.74879%0.793SS**  trans-156.2126.615947.10000113.8
602Q36.4Very low35.9Very low181 Ų181130.1 Ų130.185%0.84679%0.793SS**  trans63.995151.6-61.9176.935.600118S604Q602-S604 PolarHBondContact O-N 2.97Å
603S28.6Very low35.7Very low127 Ų127134.5 Ų134.589%0.88880%0.802SS**  trans-57.7114.4139.952.20000110.4
604S33.8Very low35.3Very low112 Ų112131.1 Ų131.178%0.78380%0.803SS**  trans-104.3131159.152.70000108.4Q602Q602-S604 PolarHBondContact O-N 2.97Å
605D35.9Very low35Very low169 Ų169131.7 Ų131.790%0.90481%0.811SS**  trans-101.799.7-165.2-169.419000111.3
606E34.2Very low34.8Very low197 Ų197132.5 Ų132.592%0.92182%0.819SS**  trans-153.3138.7169.6-126.6173.1-168.500110.1
607G32.2Very low34.6Very low85 Ų85129 Ų12988%0.87682%0.819SS**  trans-113.8144.8-160.800000116.5
608G32.2Very low34.2Very low75 Ų75131.4 Ų131.477%0.77382%0.822SS**  trans-169.6144.2170.400000111.4
609P47.8Very low34.2Very low114 Ų114136 Ų13674%0.7483%0.834SS**  trans-99171.7-171.238.6-36.7000115.6
610D34.8Very low34Very low168 Ų168135.4 Ų135.490%0.89883%0.831SS**  trans69.5136.2163.5-58.5-28.4000119.6
611G32.7Very low33.7Very low75 Ų75134.3 Ų134.377%0.77383%0.834SS**  trans151.469.4157.700000121
612A34.5Very low33.5Very low107 Ų107136.7 Ų136.788%0.88484%0.839SS**  trans61.4149.5147.900000122.7
613F35.2Very low33.5Very low219 Ų219136.3 Ų136.396%0.96184%0.837SS**  trans-85154.3167.4-91.8-111.5000111.8
614G32.3Very low33.5Very low75 Ų75137 Ų13777%0.77384%0.836SS**  trans-158.8121.4164.600000112.5
615S34Very low33.5Very low110 Ų110135.8 Ų135.877%0.76983%0.833SS**PPolyproline II helixtrans-83.9151.5174.5-59.20000111.3
616P33.7Very low33.6Very low131 Ų131132.9 Ų132.985%0.85182%0.823SS**PPolyproline II helixtrans-70.4149.9179.729.5-35.3000112.7
617V29.6Very low33.3Very low136 Ų136131.7 Ų131.782%0.82482%0.815SS**PPolyproline II helixtrans-93148176.5172.70000110.4
618Q29.8Very low33Very low170 Ų170135.8 Ų135.879%0.79481%0.809SS**PPolyproline II helixtrans-101136.8174.8174.9-178.9-21.300109.7
619E32.8Very low32.7Very low190 Ų190140.8 Ų140.889%0.88881%0.812SS**  trans-123.6155.8169-77-163.4122.600111.3
620E31.9Very low31.7Very low176 Ų176140.2 Ų140.282%0.82281%0.811SS**  trans-145.2128.6-165.6179.6-178.8-169.400111.2
621A31.2Very low31.2Very low97 Ų97137.7 Ų137.780%0.80281%0.805SS**  trans-157.7106.716500000107.1
622N30.2Very low30.8Very low157 Ų157140.9 Ų140.984%0.8480%0.804SS**  77.1140.262.1-15914.3000113.5
623E36.6Very low30.3Very low173 Ų173146.9 Ų146.981%0.80880%0.803SS**  trans-89.6165.8-151.9-50.5-177.6120.600115.6
624T27.9Very low30.3Very low142 Ų142141.3 Ų141.387%0.87179%0.791SS**  -162.9131.2127.7-73.90000110.4
625A34Very low30.8Very low86 Ų86143.3 Ų143.371%0.71179%0.791SS**  trans-119.6164.5167.100000110.4
626P39.1Very low30.5Very low108 Ų108141.7 Ų141.770%0.70179%0.791SS**  -148.9145.2115.734.3-17.4000116.9
627F26.2Very low30.1Very low171 Ų171142.7 Ų142.775%0.7579%0.79SS**  trans30.9152.5131.4-58.6-58.4000122.2
628F26Very low30.1Very low171 Ų171141.2 Ų141.275%0.7579%0.785SS**  cis-153.8178.6-4.6-106.6-51.3000104.7
629Q26.1Very low30Very low181 Ų181141 Ų14185%0.84679%0.788SS**  cis-166.9166.834.6-160.5165.3-24.700110
630S26.4Very low29.7Very low102 Ų102136.7 Ų136.771%0.71378%0.779SS**  trans-103.7179.8-173.9-47.70000115.1
631C25.9Very low29.6Very low114 Ų114136.7 Ų136.777%0.7778%0.779SS**  trans88.7147.1163.9-58.70000117.4
632L24.2Very low29.4Very low143 Ų143136 Ų13675%0.74977%0.768SS**  cis-164.1154.7-11.4-115.7169.1000111.4
633R24.3Very low29.3Very low233 Ų233134.7 Ų134.788%0.87977%0.765SS**  trans67130.3152.8-101.6178.2-175.8160.51.4122.5
634S34Very low28.9Very low101 Ų101134.3 Ų134.371%0.70677%0.768SS**  trans-86.4-167.4144.670.30000109.2
635P43Very low29Very low118 Ų118137.2 Ų137.277%0.76676%0.763SS**  cis-138.2-168.124.343.2-22.7000115.8
636G26.7Very low28.8Very low75 Ų75139.9 Ų139.977%0.77376%0.761SS**  trans171.296.4168.500000115.6
637D26.7Very low28.6Very low153 Ų153144.5 Ų144.582%0.81877%0.773SS**  trans-78.9178.6170.4-51.8-87000111.2
638S28.9Very low28.9Very low104 Ų104142.7 Ų142.773%0.72778%0.776SS**  cis-161.1164.621.1-35.90000113.3
639I27.7Very low29.3Very low165 Ų165142.2 Ų142.285%0.84678%0.781SS**  trans20118.7136.6-63.5166.1000116.4
640S26.6Very low29.7Very low101 Ų101139.5 Ų139.571%0.70678%0.779SS**  -163.4-166.463.254.70000110.9
641H29.2Very low29.8Very low176 Ų176141 Ų14182%0.81578%0.783SS**  cis-153.4-159.210.1-145.3-76000111.3
642S27.1Very low30.1Very low83 Ų83144.3 Ų144.358%0.5879%0.787SS**  trans-90.9147.1-178.458.70000113.7
643T28.2Very low30.4Very low128 Ų128145.3 Ų145.379%0.78579%0.788SS**  -169.916160.739.60000113.3
644L28.7Very low30.6Very low165 Ų165143 Ų14386%0.86479%0.79SS**  trans68.4142.9156-148.689.2000119.6
645R29.6Very low30.4Very low203 Ų203145.6 Ų145.677%0.76679%0.794SS**  trans110.2126.8142.1-158.9170.6-177.7159.29.1119
646E30.1Very low29.9Very low143 Ų143147.9 Ų147.967%0.66880%0.799SS**  trans31.4127.6156.1-61.6173.512500121.4
647Q35.3Very low30.4Very low205 Ų205147.5 Ų147.596%0.95880%0.795SS**  trans-67.9130.1177.4-64.4170.3-11.300112.1
648T32.6Very low30.7Very low133 Ų133153.5 Ų153.582%0.81681%0.814SS**  trans-138.7137.6170.4-56.10000109.6
649L33.5Very low30.7Very low161 Ų161156 Ų15684%0.84382%0.818SS**PPolyproline II helixtrans-84.6147.1177-71.3163.4000110.9
650P35.6Very low30.9Very low124 Ų124155.5 Ų155.581%0.80582%0.817SS**PPolyproline II helixtrans-75.8146-173.930.6-35.4000113.3
651V27.7Very low31.1Very low133 Ų133158.5 Ų158.581%0.80682%0.823SS**PPolyproline II helixtrans-88.4133.3165.7173.20000108.8
652Q32.4Very low31.3Very low183 Ų183157.5 Ų157.586%0.85582%0.823SS**  trans-94.5107.4173-173.673.657.300109.3
653E31.2Very low31.5Very low164 Ų164162.1 Ų162.177%0.76684%0.838SS**  trans-74.8150.3169.2-67.1-166.5142.900111.3
654M27.7Very low31.7Very low185 Ų185164.4 Ų164.491%0.91184%0.842SS**  trans-115.7103.7-175.5-174.4-173.7-62.400109.6
655I30.9Very low31.9Very low156 Ų156164.4 Ų164.480%0.884%0.84SS**  trans-92.8121.5177.1-63.7179.2000109.7G657I655-G657 PolarHBondContact O-N 2.98Å
656L32Very low32.1Very low166 Ų166161.4 Ų161.487%0.86985%0.846SS**  trans-81.3101.6176.7-178.167000110.2
657G35.9Very low32.3Very low67 Ų67162.9 Ų162.969%0.69186%0.861SS**  trans-70.7148.8170.200000112.4I655I655-G657 PolarHBondContact O-N 2.98Å
658K32.9Very low32Very low278 Ų278159.1 Ų159.1100%1.20985%0.852SS**  trans-149.40-179.5-170.3-177.5-178.2-176.10110.4

Retrieved 658 of 658 residues in 1018 ms (Link to these results)

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