A0A087YMX6_POEFO Loading...

Estrogen receptor binding site associated antigen 9

May participate in suppression of cell proliferation and induces apoptotic cell death through activation of interleukin-1-beta converting enzyme (ICE)-like proteases.

AlphaFold DB , UniProt , Accession A0A087YMX6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 213 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
1M54Low68.8Low217 Ų217129.9 Ų129.9100%1.06963%0.63SS**  0-14.20-64.5-173.6-171.300114.7T4 Q5M1-T4 PolarHBondContact O-OG1 3.48Å; M1-Q5 WeakPolarHBondContact O-CG 3.27Å
2A60.1Low70Confident63 Ų63124.6 Ų124.652%0.52161%0.614SS.*Hα-helixtrans-78.7-30.8-179.600000114.6T4 Q5 F6A2-T4 PolarHBondContact O-N 3.04Å; A2-Q5 PolarHBondContact O-N 2.99Å; A2-F6 WeakPolarHBondContact O-CD2 3.36Å; A2-F6 PolarHBondContact O-N 3.38Å
3I61.5Low71.2Confident135 Ų135121.9 Ų121.969%0.69261%0.61SS**Hα-helixtrans-68.1-36.8-175.5-63163.2000111.9R7I3-R7 WeakPolarHBondContact O-CG 3.44Å; I3-R7 PolarHBondContact O-N 3.32Å
4T67.1Low72.3Confident91 Ų91118.9 Ų118.956%0.55860%0.604SS**Hα-helixtrans-69.2-38.717550.70000111.3M1 A2 R7 M8M1-T4 PolarHBondContact O-OG1 3.48Å; A2-T4 PolarHBondContact O-N 3.04Å; T4-R7 PolarHBondContact O-N 3.06Å; T4-M8 WeakPolarHBondContact O-CB 3.47Å; T4-M8 VanDerWaalsContact O-CG 3.23Å; T4-M8 WeakPolarHBondContact O-CG 3.3Å; T4-M8 PolarHBondContact O-N 3.4Å
5Q61.4Low73.4Confident109 Ų109117 Ų11751%0.50960%0.596SS.*Hα-helixtrans-63.6-45176.5-63.4-691.700111.9M1 A2 R7 M8 F9M1-Q5 WeakPolarHBondContact O-CG 3.27Å; A2-Q5 PolarHBondContact O-N 2.99Å; Q5-R7 VanDerWaalsContact C-N 3.33Å; Q5-R7 PolarHBondContact O-N 2.92Å; Q5-M8 PolarHBondContact O-N 3.43Å; Q5-F9 HydrophobicContact CB-CE2 4.43Å; Q5-F9 WeakPolarHBondContact O-CD2 3.36Å; Q5-F9 PolarHBondContact O-N 3.04Å
6F60.4Low74.3Confident152 Ų152113.3 Ų113.367%0.66759%0.588SS**Hα-helixtrans-63.4-36.1175.7-90.1-79.4000113.1A2 K10A2-F6 WeakPolarHBondContact O-CD2 3.36Å; A2-F6 PolarHBondContact O-N 3.38Å; F6-K10 PolarHBondContact O-N 3.14Å; F6-K10 VanDerWaalsContact O-N 3.12Å
7R71.8Confident75.1Confident182 Ų182110 Ų11069%0.68758%0.577SS**Hα-helixtrans-68.8-39.4173.4-73.1-169.8174.3-158-1111.7I3 T4 Q5 K10 I11I3-R7 WeakPolarHBondContact O-CG 3.44Å; I3-R7 PolarHBondContact O-N 3.32Å; T4-R7 PolarHBondContact O-N 3.06Å; Q5-R7 VanDerWaalsContact C-N 3.33Å; Q5-R7 PolarHBondContact O-N 2.92Å; R7-K10 PolarHBondContact O-N 3.08Å; R7-I11 WeakPolarHBondContact O-CB 3.41Å; R7-I11 WeakPolarHBondContact O-CD1 3.38Å; R7-I11 WeakPolarHBondContact O-CG1 3.41Å; R7-I11 PolarHBondContact O-N 2.86Å
8M75.8Confident75.9Confident104 Ų104109.2 Ų109.251%0.51257%0.573SS.*Hα-helixtrans-63.3-44.3174.4-71.6-61.4-72.600111.6T4 Q5 K10 I11 C12T4-M8 WeakPolarHBondContact O-CB 3.47Å; T4-M8 VanDerWaalsContact O-CG 3.23Å; T4-M8 WeakPolarHBondContact O-CG 3.3Å; T4-M8 PolarHBondContact O-N 3.4Å; Q5-M8 PolarHBondContact O-N 3.43Å; M8-K10 VanDerWaalsContact C-N 3.32Å; M8-K10 PolarHBondContact O-N 3.26Å; M8-I11 PolarHBondContact O-N 3.22Å; M8-C12 VanDerWaalsContact O-CB 3.24Å; M8-C12 WeakPolarHBondContact O-CB 3.34Å; M8-C12 PolarHBondContact O-N 3.15Å; M8-C12 PolarHBondContact O-SG 2.95Å
9F76.9Confident76.4Confident136 Ų136109.6 Ų109.660%0.59658%0.575SS**Hα-helixtrans-60.3-41.1174.5-76.4-65.7000112Q5 C12 T13Q5-F9 HydrophobicContact CB-CE2 4.43Å; Q5-F9 WeakPolarHBondContact O-CD2 3.36Å; Q5-F9 PolarHBondContact O-N 3.04Å; F9-C12 PolarHBondContact O-N 3.16Å; F9-T13 WeakPolarHBondContact O-CB 3.49Å; F9-T13 VanDerWaalsContact O-CG2 3.27Å; F9-T13 WeakPolarHBondContact O-CG2 3.28Å; F9-T13 PolarHBondContact O-N 2.88Å; F9-T13 PolarHBondContact O-OG1 3.43Å; F9-T13 VanDerWaalsContact O-OG1 3.08Å
10K81.5Confident76.7Confident150 Ų150106.5 Ų106.565%0.65256%0.562SS**Hα-helixtrans-65.7-43.9175.7-73.6-161.2175179.20112.7F6 R7 M8 T13 C14F6-K10 PolarHBondContact O-N 3.14Å; F6-K10 VanDerWaalsContact O-N 3.12Å; R7-K10 PolarHBondContact O-N 3.08Å; M8-K10 VanDerWaalsContact C-N 3.32Å; M8-K10 PolarHBondContact O-N 3.26Å; K10-T13 VanDerWaalsContact CA-OG1 3.31Å; K10-T13 WeakPolarHBondContact CA-OG1 3.46Å; K10-T13 PolarHBondContact O-N 3.36Å; K10-T13 PolarHBondContact O-OG1 3.36Å; K10-C14 WeakPolarHBondContact O-CB 3.39Å; K10-C14 PolarHBondContact O-N 2.86Å; K10-C14 PolarHBondContact O-SG 3.15Å
11I85.9Confident77.1Confident90 Ų90107.3 Ų107.346%0.46256%0.562SS.*Hα-helixtrans-63.5-44.1176.2-67162.1000110.3R7 M8 T13 C14 L15R7-I11 WeakPolarHBondContact O-CB 3.41Å; R7-I11 WeakPolarHBondContact O-CD1 3.38Å; R7-I11 WeakPolarHBondContact O-CG1 3.41Å; R7-I11 PolarHBondContact O-N 2.86Å; M8-I11 PolarHBondContact O-N 3.22Å; I11-T13 PolarHBondContact O-N 3.04Å; I11-C14 PolarHBondContact O-N 3.28Å; I11-L15 HydrophobicContact CG2-CD1 3.85Å; I11-L15 HydrophobicContact CG2-CG 4.29Å; I11-L15 WeakPolarHBondContact O-CB 3.43Å; I11-L15 VanDerWaalsContact O-CG 3.29Å; I11-L15 WeakPolarHBondContact O-CG 3.29Å; I11-L15 PolarHBondContact O-N 3.33Å
12C83.1Confident78.6Confident66 Ų66102.7 Ų102.745%0.44654%0.536SS..Hα-helixtrans-62.5-40.1175.6-70.10000111.9M8 F9 L15 A16M8-C12 VanDerWaalsContact O-CB 3.24Å; M8-C12 WeakPolarHBondContact O-CB 3.34Å; M8-C12 PolarHBondContact O-N 3.15Å; M8-C12 PolarHBondContact O-SG 2.95Å; F9-C12 PolarHBondContact O-N 3.16Å; C12-L15 PolarHBondContact O-N 2.88Å; C12-A16 VanDerWaalsContact O-CB 3.24Å; C12-A16 WeakPolarHBondContact O-CB 3.38Å; C12-A16 PolarHBondContact O-N 3.49Å
13T86.1Confident79.5Confident90 Ų90106.6 Ų106.655%0.55254%0.541SS*.Hα-helixtrans-67.4-37.1174.353.90000112.4F9 K10 I11 S17F9-T13 WeakPolarHBondContact O-CB 3.49Å; F9-T13 VanDerWaalsContact O-CG2 3.27Å; F9-T13 WeakPolarHBondContact O-CG2 3.28Å; F9-T13 PolarHBondContact O-N 2.88Å; F9-T13 PolarHBondContact O-OG1 3.43Å; F9-T13 VanDerWaalsContact O-OG1 3.08Å; K10-T13 VanDerWaalsContact CA-OG1 3.31Å; K10-T13 WeakPolarHBondContact CA-OG1 3.46Å; K10-T13 PolarHBondContact O-N 3.36Å; K10-T13 PolarHBondContact O-OG1 3.36Å; I11-T13 PolarHBondContact O-N 3.04Å; T13-S17 WeakPolarHBondContact O-CB 3.41Å; T13-S17 PolarHBondContact O-N 2.92Å
14C86.4Confident80.2Confident79 Ų79108.4 Ų108.453%0.53454%0.539SS..Hα-helixtrans-66.2-45.1174.3-71.10000111.4K10 I11 S17 L18K10-C14 WeakPolarHBondContact O-CB 3.39Å; K10-C14 PolarHBondContact O-N 2.86Å; K10-C14 PolarHBondContact O-SG 3.15Å; I11-C14 PolarHBondContact O-N 3.28Å; C14-S17 WeakPolarHBondContact O-CB 3.04Å; C14-S17 PolarHBondContact O-N 3.08Å; C14-L18 WeakPolarHBondContact O-CG 3.41Å; C14-L18 PolarHBondContact O-N 3.29Å
15L88.9Confident80.7Confident91 Ų91110 Ų11048%0.47654%0.543SS..Hα-helixtrans-64.5-40176.3-71172.7000111.6I11 C12 S17 L18 L19I11-L15 HydrophobicContact CG2-CD1 3.85Å; I11-L15 HydrophobicContact CG2-CG 4.29Å; I11-L15 WeakPolarHBondContact O-CB 3.43Å; I11-L15 VanDerWaalsContact O-CG 3.29Å; I11-L15 WeakPolarHBondContact O-CG 3.29Å; I11-L15 PolarHBondContact O-N 3.33Å; C12-L15 PolarHBondContact O-N 2.88Å; L15-S17 VanDerWaalsContact C-N 3.34Å; L15-S17 PolarHBondContact O-N 3.05Å; L15-L18 PolarHBondContact O-N 2.85Å; L15-L19 WeakPolarHBondContact O-CB 3.3Å; L15-L19 VanDerWaalsContact O-CG 3.26Å; L15-L19 WeakPolarHBondContact O-CG 3.37Å; L15-L19 PolarHBondContact O-N 2.82Å
16A87.4Confident81.3Confident57 Ų57110.3 Ų110.347%0.47155%0.548SS..Hα-helixtrans-63.3-40.1175.300000111.9C12 S20C12-A16 VanDerWaalsContact O-CB 3.24Å; C12-A16 WeakPolarHBondContact O-CB 3.38Å; C12-A16 PolarHBondContact O-N 3.49Å; A16-S20 WeakPolarHBondContact O-CB 3.38Å; A16-S20 PolarHBondContact O-N 3.03Å
17S87.8Confident81.4Confident58 Ų58106.7 Ų106.741%0.40654%0.54SS..Hα-helixtrans-61.1-51.7173-175.60000110.8T13 C14 L15 L19 S20 F21T13-S17 WeakPolarHBondContact O-CB 3.41Å; T13-S17 PolarHBondContact O-N 2.92Å; C14-S17 WeakPolarHBondContact O-CB 3.04Å; C14-S17 PolarHBondContact O-N 3.08Å; L15-S17 VanDerWaalsContact C-N 3.34Å; L15-S17 PolarHBondContact O-N 3.05Å; S17-L19 PolarHBondContact O-N 2.92Å; S17-S20 WeakPolarHBondContact O-CB 3.42Å; S17-S20 PolarHBondContact O-N 3.28Å; S17-S20 PolarHBondContact O-OG 3.11Å; S17-F21 VanDerWaalsContact O-CD2 3.26Å; S17-F21 WeakPolarHBondContact O-CD2 3.45Å; S17-F21 PolarHBondContact O-N 3.01Å; S17-F21 VanDerWaalsContact O-N 3.09Å
18L89.6Confident80.8Confident95 Ų95107.8 Ų107.850%0.49754%0.544SS..Hα-helixtrans-58.9-46.6178.8-70.8169.9000112.3C14 L15 S20 F21 F22C14-L18 WeakPolarHBondContact O-CG 3.41Å; C14-L18 PolarHBondContact O-N 3.29Å; L15-L18 PolarHBondContact O-N 2.85Å; L18-S20 VanDerWaalsContact C-N 3.25Å; L18-S20 PolarHBondContact O-N 3.47Å; L18-F21 WeakPolarHBondContact O-CB 3.43Å; L18-F21 PolarHBondContact O-N 3.26Å; L18-F21 VanDerWaalsContact O-N 3.1Å; L18-F22 WeakPolarHBondContact O-CD2 3.47Å; L18-F22 PolarHBondContact O-N 3.15Å
19L86.4Confident79.9Confident117 Ų117108.5 Ų108.561%0.61356%0.559SS**Hα-helixtrans-63.9-30.2176.7-69.3172.2000112.3L15 S17 K23L15-L19 WeakPolarHBondContact O-CB 3.3Å; L15-L19 VanDerWaalsContact O-CG 3.26Å; L15-L19 WeakPolarHBondContact O-CG 3.37Å; L15-L19 PolarHBondContact O-N 2.82Å; S17-L19 PolarHBondContact O-N 2.92Å; L19-K23 WeakPolarHBondContact O-CB 3.46Å; L19-K23 PolarHBondContact O-N 2.85Å
20S81.8Confident79Confident47 Ų47104.2 Ų104.233%0.32955%0.553SS.*Hα-helixtrans-69.7-34.2173.581.50000112.6A16 S17 L18 R24A16-S20 WeakPolarHBondContact O-CB 3.38Å; A16-S20 PolarHBondContact O-N 3.03Å; S17-S20 WeakPolarHBondContact O-CB 3.42Å; S17-S20 PolarHBondContact O-N 3.28Å; S17-S20 PolarHBondContact O-OG 3.11Å; L18-S20 VanDerWaalsContact C-N 3.25Å; L18-S20 PolarHBondContact O-N 3.47Å; S20-R24 WeakPolarHBondContact O-CB 3.29Å; S20-R24 VanDerWaalsContact O-CG 3.27Å; S20-R24 WeakPolarHBondContact O-CG 3.41Å; S20-R24 PolarHBondContact O-N 3.35Å
21F84.8Confident77.7Confident125 Ų125108.2 Ų108.255%0.54857%0.565SS.*Hα-helixtrans-68.5-46.7172.2-82.9-82000111.3S17 L18 K23 R24 L25S17-F21 VanDerWaalsContact O-CD2 3.26Å; S17-F21 WeakPolarHBondContact O-CD2 3.45Å; S17-F21 PolarHBondContact O-N 3.01Å; S17-F21 VanDerWaalsContact O-N 3.09Å; L18-F21 WeakPolarHBondContact O-CB 3.43Å; L18-F21 PolarHBondContact O-N 3.26Å; L18-F21 VanDerWaalsContact O-N 3.1Å; F21-K23 VanDerWaalsContact C-N 3.34Å; F21-K23 PolarHBondContact O-N 3.36Å; F21-R24 CarbonylContact O-C 3.6Å; F21-R24 PolarHBondContact O-N 3.38Å; F21-R24 VanDerWaalsContact O-N 3.16Å; F21-L25 PolarHBondContact O-N 3.08Å
22F84.8Confident76.3Confident120 Ų120107.1 Ų107.153%0.52658%0.576SS.*Hα-helixtrans-63.8-39175.4-75.9-68.6000112.2L18 R24 L25 I26L18-F22 WeakPolarHBondContact O-CD2 3.47Å; L18-F22 PolarHBondContact O-N 3.15Å; F22-R24 VanDerWaalsContact C-N 3.34Å; F22-R24 PolarHBondContact O-N 2.91Å; F22-L25 WeakPolarHBondContact O-CB 3.33Å; F22-L25 PolarHBondContact O-N 2.95Å; F22-L25 VanDerWaalsContact O-N 3.13Å; F22-I26 WeakPolarHBondContact O-CB 3.23Å; F22-I26 PolarHBondContact O-N 3.34Å
23K80.2Confident75.1Confident145 Ų145114.9 Ų114.963%0.6360%0.595SS**Hα-helixtrans-60.5-42.8171.9-177.7171.7177.8161.40111.2L19 F21 L25 C27L19-K23 WeakPolarHBondContact O-CB 3.46Å; L19-K23 PolarHBondContact O-N 2.85Å; F21-K23 VanDerWaalsContact C-N 3.34Å; F21-K23 PolarHBondContact O-N 3.36Å; K23-L25 VanDerWaalsContact C-N 3.31Å; K23-L25 PolarHBondContact O-N 3.47Å; K23-C27 WeakPolarHBondContact O-CB 3.31Å; K23-C27 PolarHBondContact O-N 2.9Å; K23-C27 PolarHBondContact O-SG 2.88Å
24R76.2Confident73.5Confident173 Ų173120.6 Ų120.665%0.65361%0.612SS**Hα-helixtrans-66.7-31.3174.4-74.7173.2-177.9-168.21.4112.6S20 F21 F22 R28S20-R24 WeakPolarHBondContact O-CB 3.29Å; S20-R24 VanDerWaalsContact O-CG 3.27Å; S20-R24 WeakPolarHBondContact O-CG 3.41Å; S20-R24 PolarHBondContact O-N 3.35Å; F21-R24 CarbonylContact O-C 3.6Å; F21-R24 PolarHBondContact O-N 3.38Å; F21-R24 VanDerWaalsContact O-N 3.16Å; F22-R24 VanDerWaalsContact C-N 3.34Å; F22-R24 PolarHBondContact O-N 2.91Å; R24-R28 WeakPolarHBondContact O-CB 3.48Å; R24-R28 WeakPolarHBondContact O-CD 3.24Å; R24-R28 WeakPolarHBondContact O-CG 3.27Å; R24-R28 PolarHBondContact O-N 3.16Å
25L77.9Confident71.7Confident123 Ų123124.6 Ų124.664%0.64463%0.628SS**Hα-helixtrans-70.1-51.4175.2-129.796.4000111.1F21 F22 K23 R28F21-L25 PolarHBondContact O-N 3.08Å; F22-L25 WeakPolarHBondContact O-CB 3.33Å; F22-L25 PolarHBondContact O-N 2.95Å; F22-L25 VanDerWaalsContact O-N 3.13Å; K23-L25 VanDerWaalsContact C-N 3.31Å; K23-L25 PolarHBondContact O-N 3.47Å; L25-R28 PolarHBondContact O-N 3.2Å
26I74Confident70.1Confident117 Ų117126.3 Ų126.360%0.665%0.647SS**Hα-helixtrans-66.4-41.3179.5-9572.6000111.5F22 S29F22-I26 WeakPolarHBondContact O-CB 3.23Å; F22-I26 PolarHBondContact O-N 3.34Å; I26-S29 WeakPolarHBondContact O-CB 3.21Å; I26-S29 PolarHBondContact O-N 3.48Å
27C61.2Low68.7Low75 Ų75126.4 Ų126.451%0.50765%0.654SS.*Hα-helixtrans-80.4-12.9-177.9-61.70000113.8K23 G30K23-C27 WeakPolarHBondContact O-CB 3.31Å; K23-C27 PolarHBondContact O-N 2.9Å; K23-C27 PolarHBondContact O-SG 2.88Å; C27-G30 PolarHBondContact O-N 3.19Å
28R60.3Low67Low206 Ų206131.1 Ų131.178%0.77768%0.675SS**Hα-helixtrans-79.3-27.4168-77.1177.998.1139.46.9112.4R24 L25 G30 R31R24-R28 WeakPolarHBondContact O-CB 3.48Å; R24-R28 WeakPolarHBondContact O-CD 3.24Å; R24-R28 WeakPolarHBondContact O-CG 3.27Å; R24-R28 PolarHBondContact O-N 3.16Å; L25-R28 PolarHBondContact O-N 3.2Å; R28-G30 PolarHBondContact O-N 3.22Å; R28-R31 PolarHBondContact O-N 3.19Å
29S56.8Low65.5Low118 Ų118135.1 Ų135.183%0.82569%0.691SS**THydrogen-bonded Turntrans-66.9-18.9165.4-108.50000112.9I26I26-S29 WeakPolarHBondContact O-CB 3.21Å; I26-S29 PolarHBondContact O-N 3.48Å
30G57.3Low64Low46 Ų46136.8 Ų136.847%0.47470%0.699SS.*THydrogen-bonded Turntrans-88.64.6176.300000115.2C27 R28 G32 R33C27-G30 PolarHBondContact O-N 3.19Å; R28-G30 PolarHBondContact O-N 3.22Å; G30-G32 PolarHBondContact O-N 2.87Å; G30-R33 PolarHBondContact O-N 2.85Å
31R54.8Low62.7Low235 Ų235140 Ų14089%0.88772%0.716SS**THydrogen-bonded Turntrans-7338.3176.9-164.6175.4161.491.1-1.8112.4R28R28-R31 PolarHBondContact O-N 3.19Å
32G56.2Low61.1Low67 Ų67141 Ų14169%0.69173%0.727SS**THydrogen-bonded Turntrans-111.9-10.5168.100000113.2G30G30-G32 PolarHBondContact O-N 2.87Å
33R57.2Low59.6Low229 Ų229141.1 Ų141.186%0.86474%0.74SS**  trans-100.793.6174.8-67.1-169.8-165.9-174.94.6109.9G30 L35G30-R33 PolarHBondContact O-N 2.85Å; R33-L35 PolarHBondContact O-N 3.39Å
34K52.7Low58.4Low209 Ų209140 Ų14091%0.90975%0.746SS**  trans-60.3101.7165.7-63.3-163.6177.1-172.80108
35L49.1Very low56.8Low164 Ų164137.7 Ų137.786%0.85975%0.751SS**  trans-80121.4158.6-114.184.1000106.9R33R33-L35 PolarHBondContact O-N 3.39Å
36S55.4Low55.2Low126 Ų126136.8 Ų136.888%0.88175%0.75SS**  trans-51.2142.6171.9-159.50000111.4
37G58.3Low53.6Low60 Ų60138.9 Ų138.962%0.61976%0.762SS**  trans107.383.1168.500000114.5
38D52.9Low52.6Low157 Ų157143.3 Ų143.384%0.8477%0.773SS**  169.3100117.4-89.3-9000109.8I40D38-I40 PolarHBondContact O-N 3.3Å
39Q58.2Low51.5Low179 Ų179139.3 Ų139.384%0.83678%0.777SS**  trans21.886144.3-159.6177.183.700116.8T41Q39-T41 PolarHBondContact O-N 3.19Å
40I53.2Low51Low151 Ų151138.6 Ų138.677%0.77477%0.772SS**  trans-79.2105.3155.9-78.1162.7000106.9D38 L42D38-I40 PolarHBondContact O-N 3.3Å; I40-L42 PolarHBondContact O-N 3.37Å; I40-L42 VanDerWaalsContact O-N 3.11Å
41T55.4Low50.2Low114 Ų114141 Ų14170%0.69978%0.781SS**  trans-59.5108.3165.541.70000108.9Q39 P43Q39-T41 PolarHBondContact O-N 3.19Å; T41-P43 WeakPolarHBondContact O-CD 3.46Å
42L50.4Low49.4Very low146 Ų146137.1 Ų137.176%0.76478%0.778SS**  trans-70.4121.9167.8-69.7157.3000108.1I40 T44I40-L42 PolarHBondContact O-N 3.37Å; I40-L42 VanDerWaalsContact O-N 3.11Å; L42-T44 PolarHBondContact O-N 3.29Å
43P53.7Low48.9Very low124 Ų124138.8 Ų138.881%0.80578%0.776SS**  trans-69.8104.1164.826.9-28.9000108.1T41T41-P43 WeakPolarHBondContact O-CD 3.46Å
44T55.9Low48.2Very low122 Ų122137 Ų13775%0.74878%0.775SS**  trans-53.3125.9153.777.30000107.5L42L42-T44 PolarHBondContact O-N 3.29Å
45T43.1Very low47.6Very low124 Ų124135.8 Ų135.876%0.76177%0.772SS**  trans17798.5138.150.40000106
46V44Very low47.6Very low103 Ų103132.6 Ų132.662%0.62476%0.761SS**  trans-90.8112.4163.9-172.30000106.3F48V46-F48 HydrophobicContact CB-CD2 3.64Å; V46-F48 HydrophobicContact CB-CE2 3.44Å; V46-F48 VanDerWaalsContact CB-CE2 3.44Å; V46-F48 HydrophobicContact CB-CG 4.49Å; V46-F48 HydrophobicContact CB-CZ 4.13Å; V46-F48 HydrophobicContact CG1-CD1 3.96Å; V46-F48 HydrophobicContact CG1-CD2 3.3Å; V46-F48 HydrophobicContact CG1-CE1 3.83Å; V46-F48 HydrophobicContact CG1-CE2 3.17Å; V46-F48 HydrophobicContact CG1-CG 3.71Å; V46-F48 HydrophobicContact CG1-CZ 3.45Å; V46-F48 VanDerWaalsContact CG1-CZ 3.45Å; V46-F48 HydrophobicContact CG2-CE2 4.03Å; V46-F48 HydrophobicContact CG2-CZ 4.47Å; V46-F48 PolarHBondContact O-N 3.12Å; V46-F48 VanDerWaalsContact O-N 3.08Å
47D39.9Very low47.1Very low161 Ų161134.1 Ų134.186%0.86176%0.755SS**  trans-78.683.4164.2-73.6-27.6000107.6S49D47-S49 PolarHBondContact O-N 3.45Å; D47-S49 VanDerWaalsContact O-N 3.16Å
48F40.5Very low46.7Very low168 Ų168138.9 Ų138.974%0.73776%0.764SS**  trans-69.7104.3165.6-73-76.9000108V46 S50V46-F48 HydrophobicContact CB-CD2 3.64Å; V46-F48 HydrophobicContact CB-CE2 3.44Å; V46-F48 VanDerWaalsContact CB-CE2 3.44Å; V46-F48 HydrophobicContact CB-CG 4.49Å; V46-F48 HydrophobicContact CB-CZ 4.13Å; V46-F48 HydrophobicContact CG1-CD1 3.96Å; V46-F48 HydrophobicContact CG1-CD2 3.3Å; V46-F48 HydrophobicContact CG1-CE1 3.83Å; V46-F48 HydrophobicContact CG1-CE2 3.17Å; V46-F48 HydrophobicContact CG1-CG 3.71Å; V46-F48 HydrophobicContact CG1-CZ 3.45Å; V46-F48 VanDerWaalsContact CG1-CZ 3.45Å; V46-F48 HydrophobicContact CG2-CE2 4.03Å; V46-F48 HydrophobicContact CG2-CZ 4.47Å; V46-F48 PolarHBondContact O-N 3.12Å; V46-F48 VanDerWaalsContact O-N 3.08Å; F48-S50 PolarHBondContact O-N 2.84Å
49S37.6Very low46.9Very low122 Ų122137.1 Ų137.185%0.85375%0.751SS**  trans-70.390.7160.5-161.20000107.8D47 S51D47-S49 PolarHBondContact O-N 3.45Å; D47-S49 VanDerWaalsContact O-N 3.16Å; S49-S51 PolarHBondContact O-N 3.08Å
50S45.8Very low46.7Very low103 Ų103135.7 Ų135.772%0.7274%0.744SS**  trans-71.395.7175.5550000110.5F48F48-S50 PolarHBondContact O-N 2.84Å
51S39.2Very low46.9Very low97 Ų97139.9 Ų139.968%0.67875%0.751SS**  trans-14181.6149.765.20000107.6S49S49-S51 PolarHBondContact O-N 3.08Å
52L38.1Very low46.9Very low154 Ų154139.5 Ų139.581%0.80675%0.752SS**  84.1154104.5-102.882.6000112.7
53P46.4Very low47.1Very low102 Ų102135.5 Ų135.566%0.66274%0.736SS**  cis-135.3150.9-18.127.2-6.1000114.7
54K43.1Very low47.3Very low191 Ų191140 Ų14083%0.8374%0.737SS**  trans44.896.8143-69.1177.5174.4176.30117.4
55Q39.6Very low47.4Very low184 Ų184142 Ų14286%0.8674%0.744SS**  -133.8145125.3-85.3-59.3-70.800110
56P48.9Very low48.1Very low97 Ų97144.4 Ų144.463%0.6375%0.746SS**  trans-91175.4-160.138.9-33.6000111.8
57E44.7Very low48.9Very low158 Ų158148 Ų14874%0.73876%0.757SS**  trans65.864.5167.2-98.6174.2175.100115.2E59E57-E59 HydrophobicContact CG-CB 4.45Å; E57-E59 PolarHBondContact O-N 2.75Å
58I50.9Low49.5Very low159 Ų159144.1 Ų144.182%0.81575%0.747SS**  trans-85.777.9134.2-68.9159.3000104.1E60I58-E60 PolarHBondContact O-N 3.26Å
59E56.7Low50.1Low121 Ų121141.6 Ų141.657%0.56575%0.747SS**  trans-50.8109.7159.4-173.8159.9-157.800105.7E57 W61E57-E59 HydrophobicContact CG-CB 4.45Å; E57-E59 PolarHBondContact O-N 2.75Å; E59-W61 PolarHBondContact O-N 3.16Å
60E54Low50.9Low149 Ų149143 Ų14370%0.69675%0.751SS**  trans-59.4110.6-175.7-70.9172.1164.600107.3I58 S62 S63I58-E60 PolarHBondContact O-N 3.26Å; E60-S62 PolarHBondContact O-N 2.87Å; E60-S63 PolarHBondContact O-N 3Å; E60-S63 VanDerWaalsContact O-N 3.09Å; E60-S63 PolarHBondContact O-OG 3.47Å
61W57Low51.3Low239 Ų239142.5 Ų142.591%0.90575%0.747SS**THydrogen-bonded Turntrans-58.79.5179.9-78.561.5000114.2E59E59-W61 PolarHBondContact O-N 3.16Å
62S56Low52Low105 Ų105145.3 Ų145.373%0.73475%0.753SS**THydrogen-bonded Turntrans-103.8-3.6180-45.20000112.7E60E60-S62 PolarHBondContact O-N 2.87Å
63S53.9Low52.8Low62 Ų62145.9 Ų145.943%0.43475%0.749SS.*G310 helixtrans-81.7-10.2-176.262.80000114.9E60 D65E60-S63 PolarHBondContact O-N 3Å; E60-S63 VanDerWaalsContact O-N 3.09Å; E60-S63 PolarHBondContact O-OG 3.47Å; S63-D65 VanDerWaalsContact C-N 3.29Å; S63-D65 PolarHBondContact O-N 3.3Å
64W58.9Low53.4Low218 Ų218148.5 Ų148.583%0.82676%0.756SS**G310 helixtrans-74-13.5-172.7-82.792.6000115.2
65D56.6Low54Low166 Ų166146.4 Ų146.489%0.88875%0.749SS**G310 helixtrans-109-4.9-170.5-119.32.1000114.5S63S63-D65 VanDerWaalsContact C-N 3.29Å; S63-D65 PolarHBondContact O-N 3.3Å
66E58.7Low54.2Low173 Ų173141 Ų14181%0.80874%0.742SS**THydrogen-bonded Turntrans-93.7-22.3-177.8-91.1-105.6133.900114
67E60.6Low53.8Low180 Ų180139.6 Ų139.684%0.84175%0.746SS**SBendtrans-138.360.8-167.8-73.2170.1163.900114.1
68A53.2Low54.2Low79 Ų79140.9 Ų140.965%0.65376%0.758SS**SBendtrans-148.2135.2156.100000111.7T70A68-T70 PolarHBondContact O-N 2.76Å
69P51.4Low54Low115 Ų115136 Ų13675%0.74775%0.747SS**  trans-66.9123.2-157.724.8-33.8000112.9S71P69-S71 PolarHBondContact O-N 3.24Å
70T55.4Low53.8Low152 Ų152138.3 Ų138.393%0.93376%0.763SS**SBendtrans-67.559165.545.90000111.2A68A68-T70 PolarHBondContact O-N 2.76Å
71S54.1Low53.6Low92 Ų92137.4 Ų137.464%0.64377%0.768SS**  trans-161.471.2166.755.10000112.1P69 K73P69-S71 PolarHBondContact O-N 3.24Å; S71-K73 PolarHBondContact O-N 2.89Å
72I53.4Low53.5Low155 Ų155130.5 Ų130.580%0.79576%0.756SS**  trans-69.997.8148.5-71.8171.6000105.9I74I72-I74 HydrophobicContact CG2-CG1 4.17Å; I72-I74 PolarHBondContact O-N 2.61Å
73K54.9Low53.6Low166 Ų166130.9 Ų130.972%0.72276%0.756SS**  trans-62.1100.4165.5-174.2-177.4178.7-163.10106.2S71 E75S71-K73 PolarHBondContact O-N 2.89Å; K73-E75 IonicContact NZ-OE2 2.69Å; K73-E75 PolarHBondContact O-N 3.3Å
74I60.3Low53.5Low157 Ų157133.4 Ų133.481%0.80577%0.771SS**  trans-70.486.1168.4-58.6170.1000105.6I72 G76I72-I74 HydrophobicContact CG2-CG1 4.17Å; I72-I74 PolarHBondContact O-N 2.61Å; I74-G76 PolarHBondContact O-N 3.36Å
75E55.6Low53.5Low147 Ų147128.6 Ų128.669%0.68777%0.768SS**  trans-58.5124.8169.4-172.5145.4150.700107.6K73 G77K73-E75 IonicContact NZ-OE2 2.69Å; K73-E75 PolarHBondContact O-N 3.3Å; E75-G77 PolarHBondContact O-N 2.98Å
76G42.6Very low53.1Low70 Ų70128 Ų12872%0.72276%0.764SS**  trans-48.4139-17700000111.3I74I74-G76 PolarHBondContact O-N 3.36Å
77G41.7Very low52.9Low69 Ų69127.2 Ų127.271%0.71177%0.766SS**  116146.686.100000107.8E75 G79E75-G77 PolarHBondContact O-N 2.98Å; G77-G79 PolarHBondContact O-N 3.44Å; G77-G79 VanDerWaalsContact O-N 3.07Å
78N52.1Low52.5Low184 Ų184122.8 Ų122.898%0.98476%0.76SS**  trans-36.5114.6177.9-87.737.4000113.1
79G46.3Very low52.4Low57 Ų57126.5 Ų126.559%0.58877%0.769SS**  trans-168.811017500000110.5G77 V81G77-G79 PolarHBondContact O-N 3.44Å; G77-G79 VanDerWaalsContact O-N 3.07Å; G79-V81 WeakPolarHBondContact O-CG2 3.42Å; G79-V81 PolarHBondContact O-N 3.45Å
80N53.6Low52.9Low169 Ų169130.5 Ų130.590%0.90478%0.777SS**  trans-45.2102.6170.8-167.837.1000111.1
81V49.3Very low53.7Low131 Ų131131.2 Ų131.279%0.79477%0.77SS**  trans-94.9107.9169.4-160.90000106.6G79G79-V81 WeakPolarHBondContact O-CG2 3.42Å; G79-V81 PolarHBondContact O-N 3.45Å
82S55.7Low54.8Low94 Ų94130.5 Ų130.566%0.65776%0.763SS**PPolyproline II helixtrans-65.1130170.552.10000109.2
83P58.1Low55.9Low113 Ų113128.1 Ų128.173%0.73475%0.752SS**PPolyproline II helixtrans-68.1146171.428.3-30.8000109.8
84P50.8Low57.2Low115 Ų115128.3 Ų128.375%0.74775%0.75SS**PPolyproline II helixtrans-62.9147.117227.5-33000110N86P84-N86 PolarHBondContact O-N 2.92Å
85P60.2Low58Low117 Ų117127.5 Ų127.576%0.7674%0.741SS**  trans-76.7112.617531.7-27.1000106.8
86N47.6Very low59Low153 Ų153128.1 Ų128.182%0.81874%0.741SS**  trans-170.4131143.6-92.5-38.4000111.3P84P84-N86 PolarHBondContact O-N 2.92Å
87D54Low60.7Low157 Ų157132.6 Ų132.684%0.8475%0.749SS**  trans-35.2125.5165.7-58.1-84.4000114.6
88A51.8Low62.5Low86 Ų86136.1 Ų136.171%0.71175%0.748SS**  trans-165111.5139.900000107.8
89D51.1Low63.8Low158 Ų158130.5 Ų130.585%0.84573%0.727SS**  trans50.696.5155-52.2-42.8000116.4E91D89-E91 PolarHBondContact O-N 3.35Å
90E62.7Low65.4Low198 Ų198132.9 Ų132.993%0.92573%0.732SS**  trans-66.583171.9-162.9164-164.500109.4P92E90-P92 WeakPolarHBondContact O-CD 3.49Å
91E71.2Confident66.6Low167 Ų167131 Ų13178%0.7873%0.727SS**  trans-56.8121.5167.9-160.4171-151.400107.2D89 D93D89-E91 PolarHBondContact O-N 3.35Å; E91-D93 PolarHBondContact O-N 2.88Å; E91-D93 VanDerWaalsContact O-N 3.14Å
92P78.3Confident68Low77 Ų77132.1 Ų132.150%0.573%0.727SS.*  trans-58.5124.5-178.1-22.832.3000109.5E90 Y94E90-P92 WeakPolarHBondContact O-CD 3.49Å; P92-Y94 VanDerWaalsContact C-N 3.31Å; P92-Y94 HydrophobicContact CB-CE1 4.37Å; P92-Y94 HydrophobicContact CB-CE2 4.3Å; P92-Y94 WeakPolarHBondContact O-CD2 3.38Å; P92-Y94 VanDerWaalsContact O-CE2 3.25Å; P92-Y94 WeakPolarHBondContact O-CE2 3.48Å; P92-Y94 PolarHBondContact O-N 3.19Å
93D76.4Confident69.2Low106 Ų106137.9 Ų137.957%0.56773%0.734SS**  trans-68.589.7175.3-179.54.6000109.9E91 F95 K96E91-D93 PolarHBondContact O-N 2.88Å; E91-D93 VanDerWaalsContact O-N 3.14Å; D93-F95 PolarHBondContact O-N 3.02Å; D93-F95 VanDerWaalsContact O-N 3.17Å; D93-F95 PolarHBondContact OD1-N 3.46Å; D93-F95 VanDerWaalsContact OD1-N 3.09Å; D93-K96 HydrophobicContact CB-CB 4.46Å; D93-K96 WeakPolarHBondContact O-CB 3.47Å; D93-K96 PolarHBondContact O-N 3.45Å; D93-K96 PolarHBondContact OD1-N 2.81Å
94Y81.8Confident70.3Confident169 Ų169142.4 Ų142.466%0.66374%0.742SS**THydrogen-bonded Turntrans-65.3-10.9179-62.4-77.9000113.4P92P92-Y94 VanDerWaalsContact C-N 3.31Å; P92-Y94 HydrophobicContact CB-CE1 4.37Å; P92-Y94 HydrophobicContact CB-CE2 4.3Å; P92-Y94 WeakPolarHBondContact O-CD2 3.38Å; P92-Y94 VanDerWaalsContact O-CE2 3.25Å; P92-Y94 WeakPolarHBondContact O-CE2 3.48Å; P92-Y94 PolarHBondContact O-N 3.19Å
95F76.6Confident71.6Confident141 Ų141143.3 Ų143.362%0.61875%0.746SS**THydrogen-bonded Turntrans-102.1-1.2-177.4-65.6-83.9000113.2D93 D97 M98 A99D93-F95 PolarHBondContact O-N 3.02Å; D93-F95 VanDerWaalsContact O-N 3.17Å; D93-F95 PolarHBondContact OD1-N 3.46Å; D93-F95 VanDerWaalsContact OD1-N 3.09Å; F95-D97 PolarHBondContact O-N 3.05Å; F95-M98 HydrophobicContact CD1-SD 3.62Å; F95-M98 HydrophobicContact CE1-SD 3.92Å; F95-M98 PolarHBondContact O-N 2.83Å; F95-A99 PolarHBondContact O-N 3.22Å
96K76.8Confident72.5Confident159 Ų159146.5 Ų146.569%0.69175%0.75SS**THydrogen-bonded Turntrans-56.8-32.7176.8-160.9175-174.6175.20112.9D93D93-K96 HydrophobicContact CB-CB 4.46Å; D93-K96 WeakPolarHBondContact O-CB 3.47Å; D93-K96 PolarHBondContact O-N 3.45Å; D93-K96 PolarHBondContact OD1-N 2.81Å
97D79.3Confident73.9Confident165 Ų165148.1 Ų148.188%0.88275%0.75SS**THydrogen-bonded Turntrans-83-15.7176.6-71.6-11000113.5F95F95-D97 PolarHBondContact O-N 3.05Å
98M78.1Confident75Confident143 Ų143147.6 Ų147.670%0.70475%0.746SS**THydrogen-bonded Turntrans-91.8-13.8179.4-65.5-173.764.800113.1F95F95-M98 HydrophobicContact CD1-SD 3.62Å; F95-M98 HydrophobicContact CE1-SD 3.92Å; F95-M98 PolarHBondContact O-N 2.83Å
99A80.8Confident76.1Confident65 Ų65148.7 Ų148.754%0.53774%0.744SS.*SBendtrans-87.1120.3-178.900000111.5F95 T101F95-A99 PolarHBondContact O-N 3.22Å; A99-T101 PolarHBondContact O-N 2.97Å
100P80.4Confident77.2Confident108 Ų108148.5 Ų148.570%0.70174%0.742SS**  trans-66.3135.4176.427.2-33.4000110.6I102P100-I102 PolarHBondContact O-N 3.33Å
101T78.4Confident77.6Confident128 Ų128148.5 Ų148.579%0.78574%0.739SS**  trans-73.297.5176.5-58.50000110.5A99 R103A99-T101 PolarHBondContact O-N 2.97Å; T101-R103 HydrophobicContact CG2-CG 4.45Å; T101-R103 PolarHBondContact O-N 3.07Å
102I78.9Confident77.2Confident156 Ų156150.5 Ų150.580%0.875%0.745SS**  trans-75.594.7178.7-56.6170.8000109.2P100P100-I102 PolarHBondContact O-N 3.33Å
103R80.2Confident76.4Confident215 Ų215157.1 Ų157.181%0.81176%0.76SS**  trans-73.4130.9169.3-64-174.7-177.9-177.11.4109.1T101 T105T101-R103 HydrophobicContact CG2-CG 4.45Å; T101-R103 PolarHBondContact O-N 3.07Å; R103-T105 PolarHBondContact O-N 2.84Å; R103-T105 VanDerWaalsContact O-N 3.08Å
104K80.4Confident75.7Confident208 Ų208160 Ų16090%0.90477%0.77SS**  trans-58.9116172.9-68.8-179179.31780108.7Q106K104-Q106 PolarHBondContact O-N 3.42Å
105T78.5Confident74.3Confident133 Ų133157.2 Ų157.282%0.81677%0.772SS**  trans-65133.9177.352.80000109.1R103 K107R103-T105 PolarHBondContact O-N 2.84Å; R103-T105 VanDerWaalsContact O-N 3.08Å; T105-K107 PolarHBondContact O-N 3.31Å
106Q78.4Confident73.1Confident184 Ų184157.3 Ų157.386%0.8678%0.778SS**  trans-67.2121.9174.3-69.8-178.8-7.100108.3K104 I108K104-Q106 PolarHBondContact O-N 3.42Å; Q106-I108 PolarHBondContact O-N 2.96Å
107K78Confident72Confident188 Ų188155.8 Ų155.882%0.81778%0.778SS**  trans-70.199.1178.1-174179.2179.9179.50109T105 V109T105-K107 PolarHBondContact O-N 3.31Å; K107-V109 HydrophobicContact CG-CG2 4.3Å; K107-V109 PolarHBondContact O-N 3.3Å; K107-V109 VanDerWaalsContact O-N 3.15Å
108I77.3Confident70.2Confident146 Ų146158 Ų15875%0.74978%0.775SS**  trans-72107171.9-56.5175.6000107.5Q106 L110Q106-I108 PolarHBondContact O-N 2.96Å; I108-L110 PolarHBondContact O-N 3.48Å
109V75.2Confident68.7Low109 Ų109158.8 Ų158.866%0.66178%0.782SS**  trans-85.7100172.4-179.50000107.9K107 K111K107-V109 HydrophobicContact CG-CG2 4.3Å; K107-V109 PolarHBondContact O-N 3.3Å; K107-V109 VanDerWaalsContact O-N 3.15Å; V109-K111 PolarHBondContact O-N 2.96Å; V109-K111 VanDerWaalsContact O-N 3.11Å
110L72.6Confident67Low154 Ų154161.9 Ų161.981%0.80679%0.794SS**  trans-66.6106.5166.3-77.4151.6000107.8I108 K112I108-L110 PolarHBondContact O-N 3.48Å; L110-K112 PolarHBondContact O-N 3.09Å; L110-K112 VanDerWaalsContact O-N 3.15Å
111K72.6Confident66.2Low197 Ų197162.3 Ų162.386%0.85780%0.796SS**  trans-57122.1163.9-87.5-165.5168.9-176.30107.1V109 R113V109-K111 PolarHBondContact O-N 2.96Å; V109-K111 VanDerWaalsContact O-N 3.11Å; K111-R113 PolarHBondContact O-N 3.1Å
112K62.4Low64.7Low209 Ų209164 Ų16491%0.90980%0.801SS**  trans-58.1108.9173.1-65.8-175.2179.1-175.50107.2L110 E114L110-K112 PolarHBondContact O-N 3.09Å; L110-K112 VanDerWaalsContact O-N 3.15Å; K112-E114 PolarHBondContact O-N 2.63Å
113R61Low63.3Low216 Ų216159.3 Ų159.382%0.81579%0.791SS**  trans-65121.5167.1-173.2176.5-179.1164.6-0.5106K111K111-R113 PolarHBondContact O-N 3.1Å
114E61.6Low62.2Low168 Ų168155 Ų15579%0.78579%0.794SS**  trans-49.7137.8171.7-161.5171-16100109.1K112 L116K112-E114 PolarHBondContact O-N 2.63Å; E114-L116 VanDerWaalsContact C-N 3.33Å; E114-L116 PolarHBondContact O-N 3.03Å
115P53.4Low60.7Low109 Ų109149 Ų14971%0.70878%0.782SS**  trans-67.795.9-176.727.6-33000108.9N117P115-N117 PolarHBondContact O-N 3.01Å
116L50.3Low59.9Low143 Ų143146.7 Ų146.775%0.74979%0.785SS**  trans-69.686.3167.3-169.371.4000107.1E114 Y118E114-L116 VanDerWaalsContact C-N 3.33Å; E114-L116 PolarHBondContact O-N 3.03Å; L116-Y118 PolarHBondContact O-N 2.78Å
117N53.3Low58.5Low127 Ų127147.6 Ų147.668%0.67979%0.787SS**  trans-58.1119154-73.9-62.9000106.5P115P115-N117 PolarHBondContact O-N 3.01Å
118Y43.4Very low57.4Low211 Ų211144.2 Ų144.283%0.82779%0.787SS**  169.9124.6122.1-98.7-83.9000109.1L116L116-Y118 PolarHBondContact O-N 2.78Å
119L45.5Very low56.9Low160 Ų160141.3 Ų141.384%0.83878%0.78SS**  trans45.1120.5152.5-101.976000120.6
120V46Very low56.2Low131 Ų131147.8 Ų147.879%0.79479%0.792SS**  trans-44.4160.8151.3178.80000112.1
121P63.8Low55.4Low116 Ų116147.9 Ų147.975%0.75379%0.793SS**  cis-122.1170.3-13.425.9-5.7000112.9
122D45.1Very low54.5Low165 Ų165142.9 Ų142.988%0.88279%0.788SS**  143.9141.5124.1-147.43000112.7
123G50.9Low54.3Low57 Ų57137.6 Ų137.659%0.58878%0.783SS**  trans75.7100.9159.400000119.5
124S56.2Low54.2Low124 Ų124132.3 Ų132.387%0.86778%0.78SS**  trans5294.6142.468.30000118.8
125A49.7Very low53.9Low81 Ų81133.6 Ų133.667%0.66979%0.785SS**  trans-151.376.9154.100000111.9F127A125-F127 VanDerWaalsContact O-CD2 3.23Å; A125-F127 WeakPolarHBondContact O-CD2 3.4Å; A125-F127 PolarHBondContact O-N 3.29Å; A125-F127 VanDerWaalsContact O-N 3.1Å
126G60.7Low54Low85 Ų85135.1 Ų135.188%0.87679%0.788SS**  59.731.3123.800000121.3S128G126-S128 PolarHBondContact O-N 3.44Å
127F48.7Very low54.1Low204 Ų204137.3 Ų137.390%0.89580%0.796SS**  trans-89.8100166.8-65.2-73000110.8A125 S129A125-F127 VanDerWaalsContact O-CD2 3.23Å; A125-F127 WeakPolarHBondContact O-CD2 3.4Å; A125-F127 PolarHBondContact O-N 3.29Å; A125-F127 VanDerWaalsContact O-N 3.1Å; F127-S129 PolarHBondContact O-N 3.3Å
128S56.3Low54.2Low117 Ų117139.5 Ų139.582%0.81881%0.805SS**  trans-74.5112.3172.7177.60000110.1G126G126-S128 PolarHBondContact O-N 3.44Å
129S65.5Low54.6Low85 Ų85135.1 Ų135.159%0.59481%0.805SS**  trans-89.2118.9174.3-178.80000110.4F127 L131F127-S129 PolarHBondContact O-N 3.3Å; S129-L131 PolarHBondContact O-N 2.95Å
130R61.9Low54.9Low244 Ų244137.3 Ų137.392%0.92181%0.808SS**THydrogen-bonded Turntrans-75.28.7178.1-76.9-178.4153.9-175.7-6.9114.6
131L55.7Low55.5Low157 Ų157135.6 Ų135.682%0.82280%0.802SS**THydrogen-bonded Turntrans-99.78179.1-61.8178.1000113.5S129 A133S129-L131 PolarHBondContact O-N 2.95Å; L131-A133 VanDerWaalsContact C-N 3.32Å; L131-A133 PolarHBondContact O-N 3.18Å
132A53.7Low55.2Low91 Ų91135.6 Ų135.675%0.75280%0.802SS**  trans-72.888.917100000109.3S134A132-S134 PolarHBondContact O-N 3.24Å; A132-S134 VanDerWaalsContact O-N 3.11Å
133A57.4Low55.8Low99 Ų99133.5 Ų133.582%0.81880%0.797SS**  trans-66.2103.5170.200000108.9L131 Q135L131-A133 VanDerWaalsContact C-N 3.32Å; L131-A133 PolarHBondContact O-N 3.18Å; A133-Q135 PolarHBondContact O-N 3.39Å
134S58.3Low55.9Low105 Ų105135.7 Ų135.773%0.73480%0.804SS**  trans-77.7121.116778.40000108.5A132 D136A132-S134 PolarHBondContact O-N 3.24Å; A132-S134 VanDerWaalsContact O-N 3.11Å; S134-D136 PolarHBondContact O-N 3.38Å
135Q57Low55.9Low194 Ų194134.8 Ų134.891%0.90780%0.804SS**SBendtrans-73.332.4-173.3-165.5175.1-47.800113.6A133A133-Q135 PolarHBondContact O-N 3.39Å
136D54.8Low56.2Low142 Ų142139.5 Ų139.576%0.75981%0.812SS**  trans-133.527.4-162.7-152.425.3000115.5S134S134-D136 PolarHBondContact O-N 3.38Å
137M52.1Low55.6Low188 Ų188143.6 Ų143.693%0.92681%0.813SS**  trans-123.353.7162.4-73.5-162.211600110.5
138M55.6Low55.6Low174 Ų174137 Ų13786%0.85780%0.803SS**  trans-9595.9159.3-70.5-69.8-179.500108.4
139S52.5Low55.3Low119 Ų119140.7 Ų140.783%0.83281%0.807SS**  trans-163.678.8155.1-83.30000108.2S141S139-S141 PolarHBondContact O-N 2.85Å
140F51.1Low54.3Low206 Ų206143 Ų14390%0.90481%0.81SS**  trans-79.3100.5168.2-132-94000107
141S58.8Low53.9Low95 Ų95139.4 Ų139.466%0.66480%0.803SS**PPolyproline II helixtrans-69.6127.816452.50000108.4S139S139-S141 PolarHBondContact O-N 2.85Å
142P58.3Low53.6Low116 Ų116138.7 Ų138.775%0.75380%0.8SS**PPolyproline II helixtrans-63134.9171.226.6-31.9000109S144P142-S144 PolarHBondContact O-N 2.86Å
143P57.3Low53.6Low120 Ų120143.5 Ų143.578%0.77980%0.799SS**PPolyproline II helixtrans-64135.1-179.825.2-31.8000111
144S52Low53.4Low104 Ų104147.8 Ų147.873%0.72780%0.802SS**PPolyproline II helixtrans-54.8137.9174.5-179.10000112.1P142 E146P142-S144 PolarHBondContact O-N 2.86Å; S144-E146 PolarHBondContact O-N 3.29Å
145A56.7Low53Low105 Ų105151 Ų15187%0.86881%0.806SS**SBendtrans-73.748.7-174.200000114.8
146E55.2Low52.9Low179 Ų179149.3 Ų149.384%0.83680%0.803SS**  trans-125.422177.6-73.3-156163.100114S144S144-E146 PolarHBondContact O-N 3.29Å
147L48.8Very low53Low171 Ų171147.4 Ų147.490%0.89580%0.797SS**SBendtrans-129.590.3170.5-150.180.9000110.5
148G48.8Very low53.2Low67 Ų67143.2 Ų143.269%0.69178%0.778SS**  trans71.4121164.400000113.2M150G148-M150 PolarHBondContact O-N 3.09Å
149E50.1Low53.2Low193 Ų193138.3 Ų138.390%0.90277%0.765SS**  trans-56.184.9152.6-157.2175.1-158.800106.5E151E149-E151 PolarHBondContact O-N 2.7Å
150M45.3Very low53.3Low135 Ų135142.8 Ų142.867%0.66576%0.764SS**  trans-65.396.6166.8-175.2172.277.500103.1G148 N152G148-M150 PolarHBondContact O-N 3.09Å; M150-N152 PolarHBondContact O-N 3.29Å
151E52.3Low53.3Low167 Ų167139.3 Ų139.378%0.7875%0.751SS**  trans-11.9103.8161.3-177.6171.6-161.200108.3E149 W153E149-E151 PolarHBondContact O-N 2.7Å; E151-W153 VanDerWaalsContact C-N 3.32Å; E151-W153 PolarHBondContact O-N 2.97Å
152N49Very low53.1Low142 Ų142140.3 Ų140.376%0.75975%0.749SS**  trans-42.9109.3175.1-7711.4000105.1M150 Q154M150-N152 PolarHBondContact O-N 3.29Å; N152-Q154 PolarHBondContact O-N 3.16Å
153W54.8Low52.8Low192 Ų192141 Ų14173%0.72774%0.742SS**  trans-41.1124164.6-74.287.4000104.6E151 E155E151-W153 VanDerWaalsContact C-N 3.32Å; E151-W153 PolarHBondContact O-N 2.97Å; W153-E155 PolarHBondContact O-N 3.47Å
154Q51.7Low52.7Low189 Ų189139.4 Ų139.488%0.88373%0.733SS**  trans-53.387.5177.8-78.9166.8-25.500108.1N152N152-Q154 PolarHBondContact O-N 3.16Å
155E50.2Low52.9Low173 Ų173138.4 Ų138.481%0.80872%0.72SS**  trans-84.6-5.4178.8-84.4-175.6162.800110.1W153W153-E155 PolarHBondContact O-N 3.47Å
156D55.5Low53.1Low158 Ų158136 Ų13685%0.84570%0.7SS**SBendtrans-102.58.3-172.5-79.9-25.8000115.5
157T56.7Low53.3Low103 Ų103130.4 Ų130.463%0.63268%0.684SS**  trans-148.691.7167.8-43.10000110.8A159T157-A159 PolarHBondContact O-N 3.16Å
158N56.3Low53.9Low100 Ų100130.2 Ų130.254%0.53567%0.672SS.*  trans-54.987.6160.4-80.1-16.6000108.9W160 E161N158-W160 PolarHBondContact O-N 3.47Å; N158-E161 HydrophobicContact CB-CB 3.94Å; N158-E161 HydrophobicContact CB-CG 3.84Å; N158-E161 PolarHBondContact O-N 2.83Å
159A55.7Low54.8Low71 Ų71131.9 Ų131.959%0.58766%0.662SS**THydrogen-bonded Turntrans-59.8-10.4175.300000113T157T157-A159 PolarHBondContact O-N 3.16Å
160W54Low55.8Low213 Ų213125.2 Ų125.281%0.80764%0.639SS**THydrogen-bonded Turntrans-96-12.4175.7-63.797.8000114.1N158N158-W160 PolarHBondContact O-N 3.47Å
161E51.3Low57Low133 Ų133125.3 Ų125.362%0.62164%0.638SS**Hα-helixtrans-82.5-33.4174.6-80.7-159.8175.800112.6N158 E163 S164 N165N158-E161 HydrophobicContact CB-CB 3.94Å; N158-E161 HydrophobicContact CB-CG 3.84Å; N158-E161 PolarHBondContact O-N 2.83Å; E161-E163 VanDerWaalsContact C-N 3.27Å; E161-E163 PolarHBondContact O-N 2.79Å; E161-S164 PolarHBondContact O-N 3.47Å; E161-N165 PolarHBondContact O-N 3.13Å
162D54.8Low58.2Low116 Ų116119.6 Ų119.662%0.6261%0.612SS**Hα-helixtrans-63.3-33.3177.3-86.5-20.5000112.4A166D162-A166 WeakPolarHBondContact O-CB 3.36Å; D162-A166 PolarHBondContact O-N 2.96Å; D162-A166 VanDerWaalsContact O-N 3.09Å
163E51.7Low59.7Low130 Ų130117.1 Ų117.161%0.60760%0.601SS**Hα-helixtrans-76-30.6-179.7-136.3164.9-155.500112.4E161 A167E161-E163 VanDerWaalsContact C-N 3.27Å; E161-E163 PolarHBondContact O-N 2.79Å; E163-A167 WeakPolarHBondContact O-CB 3.42Å; E163-A167 PolarHBondContact O-N 3.48Å; E163-A167 VanDerWaalsContact O-N 3.13Å
164S55.1Low60.7Low86 Ų86113.2 Ų113.260%0.60159%0.594SS**Hα-helixtrans-71.2-39174.7-176.10000112.1E161 W168E161-S164 PolarHBondContact O-N 3.47Å; S164-W168 PolarHBondContact O-N 2.83Å
165N56.8Low62.1Low83 Ų83111.3 Ų111.344%0.44458%0.579SS.*Hα-helixtrans-70.9-41.4177.4-168.449.5000111.2E161 A167 W168 E169E161-N165 PolarHBondContact O-N 3.13Å; N165-A167 VanDerWaalsContact C-N 3.33Å; N165-A167 PolarHBondContact O-N 3.21Å; N165-W168 PolarHBondContact O-N 3.39Å; N165-E169 PolarHBondContact ND2-OE1 2.99Å; N165-E169 WeakPolarHBondContact O-CG 3.24Å; N165-E169 PolarHBondContact O-N 3.37Å
166A60.6Low63.7Low54 Ų54108.3 Ų108.345%0.44657%0.565SS.*Hα-helixtrans-61.5-37.6176.400000113.2D162 A170D162-A166 WeakPolarHBondContact O-CB 3.36Å; D162-A166 PolarHBondContact O-N 2.96Å; D162-A166 VanDerWaalsContact O-N 3.09Å; A166-A170 WeakPolarHBondContact O-CB 3.41Å; A166-A170 PolarHBondContact O-N 2.86Å
167A60.1Low65Low62 Ų62106.8 Ų106.851%0.51255%0.553SS.*Hα-helixtrans-67.1-40.1177.200000112.7E163 N165 A170 E171E163-A167 WeakPolarHBondContact O-CB 3.42Å; E163-A167 PolarHBondContact O-N 3.48Å; E163-A167 VanDerWaalsContact O-N 3.13Å; N165-A167 VanDerWaalsContact C-N 3.33Å; N165-A167 PolarHBondContact O-N 3.21Å; A167-A170 PolarHBondContact O-N 3.4Å; A167-E171 PolarHBondContact O-N 2.81Å
168W62.2Low66.4Low167 Ų167107.3 Ų107.363%0.63355%0.546SS*.Hα-helixtrans-69.6-40.2177.9-17078.1000111.9S164 N165 E171 E172S164-W168 PolarHBondContact O-N 2.83Å; N165-W168 PolarHBondContact O-N 3.39Å; W168-E171 PolarHBondContact O-N 2.8Å; W168-E172 PolarHBondContact O-N 3.36Å
169E66.9Low67.8Low103 Ų103106.8 Ų106.848%0.48154%0.542SS..Hα-helixtrans-62.7-41.6173.5-72.3-179.8-170.300111.9N165 E172 V173N165-E169 PolarHBondContact ND2-OE1 2.99Å; N165-E169 WeakPolarHBondContact O-CG 3.24Å; N165-E169 PolarHBondContact O-N 3.37Å; E169-E172 PolarHBondContact O-N 3.02Å; E169-V173 VanDerWaalsContact O-CG2 3.29Å; E169-V173 WeakPolarHBondContact O-CG2 3.5Å; E169-V173 PolarHBondContact O-N 3.4Å
170A71Confident69.1Low52 Ų52106 Ų10643%0.4354%0.535SS..Hα-helixtrans-64.7-38.917600000112.8A166 A167 L174A166-A170 WeakPolarHBondContact O-CB 3.41Å; A166-A170 PolarHBondContact O-N 2.86Å; A167-A170 PolarHBondContact O-N 3.4Å; A170-L174 WeakPolarHBondContact O-CB 3.26Å; A170-L174 PolarHBondContact O-N 2.86Å
171E70.8Confident70.7Confident138 Ų13899.9 Ų99.965%0.64552%0.515SS*.Hα-helixtrans-65.6-41.8175.8-170.8-180177.900111.7A167 W168 L174 R175A167-E171 PolarHBondContact O-N 2.81Å; W168-E171 PolarHBondContact O-N 2.8Å; E171-L174 PolarHBondContact O-N 3.36Å; E171-R175 WeakPolarHBondContact O-CB 3.29Å; E171-R175 PolarHBondContact O-N 3.07Å
172E77Confident72.3Confident47 Ų47100.2 Ų100.222%0.2251%0.511CS..Hα-helixtrans-66.9-39.7178.5-175.454.9-15100111.7W168 E169 R175 Q176W168-E172 PolarHBondContact O-N 3.36Å; E169-E172 PolarHBondContact O-N 3.02Å; E172-R175 WeakPolarHBondContact O-CB 3.37Å; E172-R175 PolarHBondContact O-N 2.88Å; E172-R175 IonicContact OE1-CZ 3.44Å; E172-R175 IonicContact OE1-NE 2.79Å; E172-R175 PolarHBondContact OE1-NE 3.33Å; E172-R175 IonicContact OE1-NH2 3.33Å; E172-R175 PolarHBondContact OE1-NH2 2.79Å; E172-R175 IonicContact OE2-CZ 3.82Å; E172-R175 IonicContact OE2-NE 3.43Å; E172-R175 PolarHBondContact OE2-NE 2.91Å; E172-R175 IonicContact OE2-NH2 3.33Å; E172-R175 PolarHBondContact OE2-NH2 3.33Å; E172-Q176 VanDerWaalsContact O-CG 3.31Å; E172-Q176 WeakPolarHBondContact O-CG 3.37Å; E172-Q176 PolarHBondContact O-N 3.33Å; E172-Q176 PolarHBondContact OE1-NE2 3.37Å; E172-Q176 VanDerWaalsContact OE1-NE2 3.11Å
173V80.3Confident73.7Confident89 Ų89100.5 Ų100.554%0.53951%0.508SS..Hα-helixtrans-61.6-44.6173.1170.90000111.2E169 R175 Q176 Q177E169-V173 VanDerWaalsContact O-CG2 3.29Å; E169-V173 WeakPolarHBondContact O-CG2 3.5Å; E169-V173 PolarHBondContact O-N 3.4Å; V173-R175 VanDerWaalsContact C-N 3.31Å; V173-R175 PolarHBondContact O-N 3.17Å; V173-Q176 PolarHBondContact O-N 2.69Å; V173-Q177 WeakPolarHBondContact O-CB 3.38Å; V173-Q177 PolarHBondContact O-N 3.05Å
174L75.9Confident75.3Confident111 Ų111101.7 Ų101.758%0.58151%0.512SS*.Hα-helixtrans-61.7-38.8175.3-93.1158.1000112.2A170 E171 K178A170-L174 WeakPolarHBondContact O-CB 3.26Å; A170-L174 PolarHBondContact O-N 2.86Å; E171-L174 PolarHBondContact O-N 3.36Å; L174-K178 WeakPolarHBondContact O-CB 3.27Å; L174-K178 PolarHBondContact O-N 3.06Å
175R81.5Confident76.8Confident148 Ų148104.4 Ų104.456%0.55851%0.509SS*.Hα-helixtrans-65.2-45.4176.4-167.8-177.276.5101.84111.3E171 E172 V173 K178 M179E171-R175 WeakPolarHBondContact O-CB 3.29Å; E171-R175 PolarHBondContact O-N 3.07Å; E172-R175 WeakPolarHBondContact O-CB 3.37Å; E172-R175 PolarHBondContact O-N 2.88Å; E172-R175 IonicContact OE1-CZ 3.44Å; E172-R175 IonicContact OE1-NE 2.79Å; E172-R175 PolarHBondContact OE1-NE 3.33Å; E172-R175 IonicContact OE1-NH2 3.33Å; E172-R175 PolarHBondContact OE1-NH2 2.79Å; E172-R175 IonicContact OE2-CZ 3.82Å; E172-R175 IonicContact OE2-NE 3.43Å; E172-R175 PolarHBondContact OE2-NE 2.91Å; E172-R175 IonicContact OE2-NH2 3.33Å; E172-R175 PolarHBondContact OE2-NH2 3.33Å; V173-R175 VanDerWaalsContact C-N 3.31Å; V173-R175 PolarHBondContact O-N 3.17Å; R175-K178 PolarHBondContact O-N 3.36Å; R175-M179 WeakPolarHBondContact O-CG 3.46Å; R175-M179 PolarHBondContact O-N 3.34Å
176Q83.1Confident78.2Confident111 Ų111106 Ų10652%0.51951%0.512SS..Hα-helixtrans-64.4-43.7176.9-71.5177.913.300111.6E172 V173 K178 M179 A180E172-Q176 VanDerWaalsContact O-CG 3.31Å; E172-Q176 WeakPolarHBondContact O-CG 3.37Å; E172-Q176 PolarHBondContact O-N 3.33Å; E172-Q176 PolarHBondContact OE1-NE2 3.37Å; E172-Q176 VanDerWaalsContact OE1-NE2 3.11Å; V173-Q176 PolarHBondContact O-N 2.69Å; Q176-K178 VanDerWaalsContact C-N 3.3Å; Q176-K178 PolarHBondContact O-N 3.32Å; Q176-M179 PolarHBondContact O-N 2.91Å; Q176-M179 VanDerWaalsContact O-N 3.17Å; Q176-A180 WeakPolarHBondContact O-CB 3.42Å; Q176-A180 PolarHBondContact O-N 3.42Å
177Q83.9Confident79.2Confident126 Ų126108.1 Ų108.159%0.58951%0.514SS*.Hα-helixtrans-60.2-40.4176.2-170.6178.812.300111.7V173 A180 E181V173-Q177 WeakPolarHBondContact O-CB 3.38Å; V173-Q177 PolarHBondContact O-N 3.05Å; Q177-A180 PolarHBondContact O-N 3.37Å; Q177-E181 WeakPolarHBondContact O-CB 3.45Å; Q177-E181 PolarHBondContact O-N 2.98Å
178K86.4Confident80.5Confident114 Ų114111.2 Ų111.250%0.49652%0.518SS..Hα-helixtrans-67.6-34.8176.8-169.8173.5-170.6167.20113L174 R175 Q176 R182L174-K178 WeakPolarHBondContact O-CB 3.27Å; L174-K178 PolarHBondContact O-N 3.06Å; R175-K178 PolarHBondContact O-N 3.36Å; Q176-K178 VanDerWaalsContact C-N 3.3Å; Q176-K178 PolarHBondContact O-N 3.32Å; K178-R182 VanDerWaalsContact O-CG 3.3Å; K178-R182 WeakPolarHBondContact O-CG 3.3Å; K178-R182 PolarHBondContact O-N 3.02Å
179M84.1Confident81.8Confident89 Ų89109.7 Ų109.744%0.43852%0.518SS..Hα-helixtrans-69.4-46.3173.3-71.3-66.6-71.600110.8R175 Q176 E181 R182 E183R175-M179 WeakPolarHBondContact O-CG 3.46Å; R175-M179 PolarHBondContact O-N 3.34Å; Q176-M179 PolarHBondContact O-N 2.91Å; Q176-M179 VanDerWaalsContact O-N 3.17Å; M179-E181 VanDerWaalsContact C-N 3.32Å; M179-E181 PolarHBondContact O-N 3.5Å; M179-R182 PolarHBondContact O-N 3.34Å; M179-E183 WeakPolarHBondContact O-CG 3.45Å; M179-E183 PolarHBondContact O-N 3.11Å
180A84.8Confident82.8Confident54 Ų54108.8 Ų108.845%0.44651%0.513SS..Hα-helixtrans-61.5-38176.500000112.6Q176 Q177 E183 K184Q176-A180 WeakPolarHBondContact O-CB 3.42Å; Q176-A180 PolarHBondContact O-N 3.42Å; Q177-A180 PolarHBondContact O-N 3.37Å; A180-E183 PolarHBondContact O-N 3.27Å; A180-K184 VanDerWaalsContact O-CB 3.27Å; A180-K184 WeakPolarHBondContact O-CB 3.26Å; A180-K184 PolarHBondContact O-N 3.24Å
181E86.8Confident83.6Confident84 Ų84112.7 Ų112.739%0.39352%0.521SS..Hα-helixtrans-63.2-44.1175-171.7-155.3-173.500111.5Q177 M179 K184 R185Q177-E181 WeakPolarHBondContact O-CB 3.45Å; Q177-E181 PolarHBondContact O-N 2.98Å; M179-E181 VanDerWaalsContact C-N 3.32Å; M179-E181 PolarHBondContact O-N 3.5Å; E181-K184 PolarHBondContact O-N 3.07Å; E181-R185 WeakPolarHBondContact O-CG 3.43Å; E181-R185 PolarHBondContact O-N 3.46Å; E181-R185 IonicContact OE1-CZ 3.07Å; E181-R185 IonicContact OE1-NE 3.52Å; E181-R185 IonicContact OE1-NH1 3.75Å; E181-R185 IonicContact OE1-NH2 2.61Å; E181-R185 PolarHBondContact OE1-NH2 2.99Å
182R83.8Confident84.6Confident141 Ų141113.4 Ų113.453%0.53252%0.522SS..Hα-helixtrans-64.1-43.4177-73.7170.8179.9166.4-3.7111.7K178 M179 R185 F186K178-R182 VanDerWaalsContact O-CG 3.3Å; K178-R182 WeakPolarHBondContact O-CG 3.3Å; K178-R182 PolarHBondContact O-N 3.02Å; M179-R182 PolarHBondContact O-N 3.34Å; R182-R185 PolarHBondContact O-N 3.13Å; R182-F186 PolarHBondContact O-N 2.99Å
183E84.8Confident85.3Confident121 Ų121118.2 Ų118.257%0.56554%0.542SS*.Hα-helixtrans-63.9-41.9176.3-72.5177.3-177.300111.5M179 A180 R185 F186 M187M179-E183 WeakPolarHBondContact O-CG 3.45Å; M179-E183 PolarHBondContact O-N 3.11Å; A180-E183 PolarHBondContact O-N 3.27Å; E183-R185 PolarHBondContact O-N 3.38Å; E183-F186 PolarHBondContact O-N 3.01Å; E183-M187 WeakPolarHBondContact O-CB 3.1Å; E183-M187 WeakPolarHBondContact O-CG 3.35Å; E183-M187 PolarHBondContact O-N 3.34Å
184K86.3Confident85.7Confident155 Ų155119.6 Ų119.667%0.67454%0.544SS*.Hα-helixtrans-60.2-44.3175.3-172.6179.1178.5-178.10111.7A180 E181 F186 M187 E188A180-K184 VanDerWaalsContact O-CB 3.27Å; A180-K184 WeakPolarHBondContact O-CB 3.26Å; A180-K184 PolarHBondContact O-N 3.24Å; E181-K184 PolarHBondContact O-N 3.07Å; K184-F186 VanDerWaalsContact C-N 3.33Å; K184-F186 PolarHBondContact O-N 3.36Å; K184-M187 PolarHBondContact O-N 3.09Å; K184-E188 WeakPolarHBondContact O-CB 3.27Å; K184-E188 PolarHBondContact O-N 3.2Å
185R85.3Confident86.2Confident144 Ų144120 Ų12054%0.54354%0.542SS..Hα-helixtrans-62.3-39.8175.7-74.3177.3178.4176.53112.1E181 R182 E183 Q189E181-R185 WeakPolarHBondContact O-CG 3.43Å; E181-R185 PolarHBondContact O-N 3.46Å; E181-R185 IonicContact OE1-CZ 3.07Å; E181-R185 IonicContact OE1-NE 3.52Å; E181-R185 IonicContact OE1-NH1 3.75Å; E181-R185 IonicContact OE1-NH2 2.61Å; E181-R185 PolarHBondContact OE1-NH2 2.99Å; R182-R185 PolarHBondContact O-N 3.13Å; E183-R185 PolarHBondContact O-N 3.38Å; R185-Q189 VanDerWaalsContact O-CG 3.29Å; R185-Q189 WeakPolarHBondContact O-CG 3.43Å; R185-Q189 PolarHBondContact O-N 3.24Å; R185-Q189 VanDerWaalsContact O-N 3.08Å
186F85.9Confident86.6Confident116 Ų116118.8 Ų118.851%0.50954%0.541SS..Hα-helixtrans-66.7-44.8176.6-177.2-102.9000111.9R182 E183 K184 E188 Q189 Q190R182-F186 PolarHBondContact O-N 2.99Å; E183-F186 PolarHBondContact O-N 3.01Å; K184-F186 VanDerWaalsContact C-N 3.33Å; K184-F186 PolarHBondContact O-N 3.36Å; F186-E188 VanDerWaalsContact C-N 3.34Å; F186-E188 PolarHBondContact O-N 3.28Å; F186-Q189 PolarHBondContact O-N 2.93Å; F186-Q190 HydrophobicContact CD1-CG 4.32Å; F186-Q190 HydrophobicContact CE1-CG 3.97Å; F186-Q190 HydrophobicContact CZ-CG 4.13Å; F186-Q190 WeakPolarHBondContact O-CG 3.35Å; F186-Q190 PolarHBondContact O-N 2.95Å
187M83.3Confident86.8Confident99 Ų99118.8 Ų118.849%0.48854%0.541SS..Hα-helixtrans-63.8-38.1177.5-72.2-59.8-68.100112.5E183 K184 Q190 K191E183-M187 WeakPolarHBondContact O-CB 3.1Å; E183-M187 WeakPolarHBondContact O-CG 3.35Å; E183-M187 PolarHBondContact O-N 3.34Å; K184-M187 PolarHBondContact O-N 3.09Å; M187-Q190 PolarHBondContact O-N 2.8Å; M187-K191 WeakPolarHBondContact O-CB 3.16Å; M187-K191 WeakPolarHBondContact O-CG 3.48Å; M187-K191 PolarHBondContact O-N 2.96Å
188E86.1Confident87Confident127 Ų127115.1 Ų115.159%0.59353%0.533SS*.Hα-helixtrans-65.4-42.5174.9-170.1-178.3166.400111.6K184 F186 Q190 K191 K192K184-E188 WeakPolarHBondContact O-CB 3.27Å; K184-E188 PolarHBondContact O-N 3.2Å; F186-E188 VanDerWaalsContact C-N 3.34Å; F186-E188 PolarHBondContact O-N 3.28Å; E188-Q190 VanDerWaalsContact C-N 3.35Å; E188-Q190 PolarHBondContact O-N 2.87Å; E188-K191 PolarHBondContact O-N 3.15Å; E188-K192 VanDerWaalsContact O-CB 3.3Å; E188-K192 WeakPolarHBondContact O-CB 3.46Å; E188-K192 PolarHBondContact O-N 2.85Å
189Q90.2Very high86.9Confident135 Ų135114.3 Ų114.363%0.63153%0.531SS*.Hα-helixtrans-63.2-40.4174.3-72.7177.41300112.1R185 F186 K193R185-Q189 VanDerWaalsContact O-CG 3.29Å; R185-Q189 WeakPolarHBondContact O-CG 3.43Å; R185-Q189 PolarHBondContact O-N 3.24Å; R185-Q189 VanDerWaalsContact O-N 3.08Å; F186-Q189 PolarHBondContact O-N 2.93Å; Q189-K193 WeakPolarHBondContact O-CB 3.13Å; Q189-K193 PolarHBondContact O-N 3.25Å
190Q88.2Confident86.9Confident84 Ų84117.2 Ų117.239%0.39354%0.537SS..Hα-helixtrans-65.6-44.7174.8-75.1-163.6-25.300112.1F186 M187 E188 K192 K193 M194F186-Q190 HydrophobicContact CD1-CG 4.32Å; F186-Q190 HydrophobicContact CE1-CG 3.97Å; F186-Q190 HydrophobicContact CZ-CG 4.13Å; F186-Q190 WeakPolarHBondContact O-CG 3.35Å; F186-Q190 PolarHBondContact O-N 2.95Å; M187-Q190 PolarHBondContact O-N 2.8Å; E188-Q190 VanDerWaalsContact C-N 3.35Å; E188-Q190 PolarHBondContact O-N 2.87Å; Q190-K192 PolarHBondContact O-N 3.32Å; Q190-K193 WeakPolarHBondContact O-CB 3.32Å; Q190-K193 PolarHBondContact O-N 3.32Å; Q190-K193 VanDerWaalsContact O-N 3.15Å; Q190-M194 WeakPolarHBondContact O-CG 3.17Å; Q190-M194 PolarHBondContact O-N 2.8Å
191K88.2Confident86.6Confident134 Ų134119 Ų11958%0.58354%0.537SS*.Hα-helixtrans-59.6-45.9175.3-78.5-176.2175-175.90111.6M187 E188 K193 M194 E195M187-K191 WeakPolarHBondContact O-CB 3.16Å; M187-K191 WeakPolarHBondContact O-CG 3.48Å; M187-K191 PolarHBondContact O-N 2.96Å; E188-K191 PolarHBondContact O-N 3.15Å; K191-K193 VanDerWaalsContact C-N 3.27Å; K191-K193 PolarHBondContact O-N 3.36Å; K191-M194 HydrophobicContact CG-CE 4.23Å; K191-M194 PolarHBondContact O-N 2.75Å; K191-E195 WeakPolarHBondContact O-CB 3.43Å; K191-E195 PolarHBondContact O-N 3.17Å
192K90.2Very high86.2Confident153 Ų153120.2 Ų120.267%0.66555%0.546SS*.Hα-helixtrans-61.5-35.4175.8-171.9169.9-174.5168.90112.3E188 Q190 K196E188-K192 VanDerWaalsContact O-CB 3.3Å; E188-K192 WeakPolarHBondContact O-CB 3.46Å; E188-K192 PolarHBondContact O-N 2.85Å; Q190-K192 PolarHBondContact O-N 3.32Å; K192-K196 VanDerWaalsContact O-CB 3.29Å; K192-K196 WeakPolarHBondContact O-CB 3.44Å; K192-K196 PolarHBondContact O-N 3.35Å
193K92.9Very high85.8Confident148 Ų148119.7 Ų119.764%0.64355%0.547SS*.Hα-helixtrans-66.6-48.3173.8-173.7-176.4174.8-171.30111.3Q189 Q190 K191 E195 K196 E197Q189-K193 WeakPolarHBondContact O-CB 3.13Å; Q189-K193 PolarHBondContact O-N 3.25Å; Q190-K193 WeakPolarHBondContact O-CB 3.32Å; Q190-K193 PolarHBondContact O-N 3.32Å; Q190-K193 VanDerWaalsContact O-N 3.15Å; K191-K193 VanDerWaalsContact C-N 3.27Å; K191-K193 PolarHBondContact O-N 3.36Å; K193-E195 PolarHBondContact O-N 2.92Å; K193-K196 PolarHBondContact O-N 3.19Å; K193-E197 WeakPolarHBondContact O-CB 3.47Å; K193-E197 PolarHBondContact O-N 3.26Å
194M88.4Confident85.2Confident118 Ų118119.9 Ų119.958%0.58155%0.546SS*.Hα-helixtrans-62.5-41.2178.4-70.1-170.3-6500111.9Q190 K191 E197 A198Q190-M194 WeakPolarHBondContact O-CG 3.17Å; Q190-M194 PolarHBondContact O-N 2.8Å; K191-M194 HydrophobicContact CG-CE 4.23Å; K191-M194 PolarHBondContact O-N 2.75Å; M194-E197 PolarHBondContact O-N 3.11Å; M194-A198 WeakPolarHBondContact O-CB 3.34Å; M194-A198 PolarHBondContact O-N 3.09Å
195E85.9Confident84.1Confident118 Ų118116.7 Ų116.755%0.55154%0.537SS*.Hα-helixtrans-64.1-45.3176.3-171.1-171.6167.500111.5K191 K193 E197 A198 Q199K191-E195 WeakPolarHBondContact O-CB 3.43Å; K191-E195 PolarHBondContact O-N 3.17Å; K193-E195 PolarHBondContact O-N 2.92Å; E195-E197 VanDerWaalsContact C-N 3.27Å; E195-E197 PolarHBondContact O-N 3.15Å; E195-A198 PolarHBondContact O-N 2.82Å; E195-Q199 WeakPolarHBondContact O-CG 3.34Å; E195-Q199 PolarHBondContact O-N 2.98Å
196K89.9Confident82.9Confident123 Ų123116.6 Ų116.654%0.53554%0.542SS..Hα-helixtrans-62.1-35.6175.6-175.9174.8-179.4174.70112.1K192 K193 R200K192-K196 VanDerWaalsContact O-CB 3.29Å; K192-K196 WeakPolarHBondContact O-CB 3.44Å; K192-K196 PolarHBondContact O-N 3.35Å; K193-K196 PolarHBondContact O-N 3.19Å; K196-R200 VanDerWaalsContact O-CG 3.28Å; K196-R200 WeakPolarHBondContact O-CG 3.31Å; K196-R200 PolarHBondContact O-N 3.14Å; K196-R200 VanDerWaalsContact O-N 3.14Å
197E88.2Confident81.7Confident111 Ų111119.2 Ų119.252%0.51955%0.553SS.*Hα-helixtrans-71.2-44175.6-172.7167.7-171.500111.9K193 M194 E195 Q199 R200 M201K193-E197 WeakPolarHBondContact O-CB 3.47Å; K193-E197 PolarHBondContact O-N 3.26Å; M194-E197 PolarHBondContact O-N 3.11Å; E195-E197 VanDerWaalsContact C-N 3.27Å; E195-E197 PolarHBondContact O-N 3.15Å; E197-Q199 VanDerWaalsContact C-N 3.34Å; E197-Q199 PolarHBondContact O-N 3.25Å; E197-R200 CarbonylContact O-C 3.58Å; E197-R200 WeakPolarHBondContact O-CA 3.44Å; E197-R200 WeakPolarHBondContact O-CB 3.49Å; E197-R200 PolarHBondContact O-N 3.48Å; E197-M201 WeakPolarHBondContact O-CG 3.36Å; E197-M201 PolarHBondContact O-N 3.04Å
198A87.6Confident80.5Confident50 Ų50121.1 Ų121.141%0.41356%0.564SS.*Hα-helixtrans-59.5-43.6173.900000111.7M194 E195 R200 M201 L202M194-A198 WeakPolarHBondContact O-CB 3.34Å; M194-A198 PolarHBondContact O-N 3.09Å; E195-A198 PolarHBondContact O-N 2.82Å; A198-R200 VanDerWaalsContact C-N 3.28Å; A198-R200 PolarHBondContact O-N 3.08Å; A198-M201 PolarHBondContact O-N 3Å; A198-M201 VanDerWaalsContact O-N 3.15Å; A198-L202 WeakPolarHBondContact O-CG 3.44Å; A198-L202 PolarHBondContact O-N 3.43Å
199Q84.1Confident79.2Confident97 Ų97118.7 Ų118.745%0.45357%0.566SS.*Hα-helixtrans-62.1-34.6173.6-72.8-177.812.500112.5E195 E197 K203E195-Q199 WeakPolarHBondContact O-CG 3.34Å; E195-Q199 PolarHBondContact O-N 2.98Å; E197-Q199 VanDerWaalsContact C-N 3.34Å; E197-Q199 PolarHBondContact O-N 3.25Å; Q199-K203 WeakPolarHBondContact O-CB 3.41Å; Q199-K203 VanDerWaalsContact O-CG 3.27Å; Q199-K203 WeakPolarHBondContact O-CG 3.33Å; Q199-K203 PolarHBondContact O-N 3Å; Q199-K203 VanDerWaalsContact O-N 3.08Å
200R83.6Confident77.5Confident150 Ų150117.8 Ų117.857%0.56657%0.569SS**Hα-helixtrans-69.6-38.4174-75.8170.3172.7-167.1-4.2111.7K196 E197 A198 K204K196-R200 VanDerWaalsContact O-CG 3.28Å; K196-R200 WeakPolarHBondContact O-CG 3.31Å; K196-R200 PolarHBondContact O-N 3.14Å; K196-R200 VanDerWaalsContact O-N 3.14Å; E197-R200 CarbonylContact O-C 3.58Å; E197-R200 WeakPolarHBondContact O-CA 3.44Å; E197-R200 WeakPolarHBondContact O-CB 3.49Å; E197-R200 PolarHBondContact O-N 3.48Å; A198-R200 VanDerWaalsContact C-N 3.28Å; A198-R200 PolarHBondContact O-N 3.08Å; R200-K204 VanDerWaalsContact O-CG 3.3Å; R200-K204 WeakPolarHBondContact O-CG 2.96Å; R200-K204 PolarHBondContact O-N 3.2Å
201M78.2Confident75.9Confident92 Ų92122.6 Ų122.645%0.45359%0.589SS.*Hα-helixtrans-66.5-48.4176.1-67.4-61.6-73.500110.9E197 A198 K203 K204 D205E197-M201 WeakPolarHBondContact O-CG 3.36Å; E197-M201 PolarHBondContact O-N 3.04Å; A198-M201 PolarHBondContact O-N 3Å; A198-M201 VanDerWaalsContact O-N 3.15Å; M201-K203 VanDerWaalsContact C-N 3.29Å; M201-K203 PolarHBondContact O-N 2.94Å; M201-K204 CarbonylContact O-C 3.59Å; M201-K204 WeakPolarHBondContact O-CA 3.38Å; M201-K204 WeakPolarHBondContact O-CB 3.4Å; M201-K204 PolarHBondContact O-N 2.95Å; M201-K204 HydrophobicContact SD-CD 4.25Å; M201-D205 VanDerWaalsContact O-CG 3.29Å; M201-D205 PolarHBondContact O-N 3.41Å
202L79.1Confident74.5Confident108 Ų108125.1 Ų125.157%0.56561%0.608SS**Hα-helixtrans-57-40.7174.7-70.3170.9000112.6A198 K204 D205 Q206A198-L202 WeakPolarHBondContact O-CG 3.44Å; A198-L202 PolarHBondContact O-N 3.43Å; L202-K204 VanDerWaalsContact C-N 3.32Å; L202-K204 PolarHBondContact O-N 2.76Å; L202-D205 PolarHBondContact O-N 3.11Å; L202-Q206 WeakPolarHBondContact O-CB 3.44Å; L202-Q206 WeakPolarHBondContact O-CG 3.29Å; L202-Q206 PolarHBondContact O-N 2.59Å
203K74.6Confident72.3Confident131 Ų131126.4 Ų126.457%0.5764%0.636SS**Hα-helixtrans-67.9-28.1174.5-76.5178.9-179.5-176.60113.6Q199 M201 K207Q199-K203 WeakPolarHBondContact O-CB 3.41Å; Q199-K203 VanDerWaalsContact O-CG 3.27Å; Q199-K203 WeakPolarHBondContact O-CG 3.33Å; Q199-K203 PolarHBondContact O-N 3Å; Q199-K203 VanDerWaalsContact O-N 3.08Å; M201-K203 VanDerWaalsContact C-N 3.29Å; M201-K203 PolarHBondContact O-N 2.94Å; K203-K207 WeakPolarHBondContact O-CG 3.23Å
204K72.7Confident71.3Confident125 Ų125125.4 Ų125.454%0.54364%0.636SS.*Hα-helixtrans-74.9-43.6173.2-73.8170.9179.5-178.10110.1R200 M201 L202 Q206 K207 I208R200-K204 VanDerWaalsContact O-CG 3.3Å; R200-K204 WeakPolarHBondContact O-CG 2.96Å; R200-K204 PolarHBondContact O-N 3.2Å; M201-K204 CarbonylContact O-C 3.59Å; M201-K204 WeakPolarHBondContact O-CA 3.38Å; M201-K204 WeakPolarHBondContact O-CB 3.4Å; M201-K204 PolarHBondContact O-N 2.95Å; M201-K204 HydrophobicContact SD-CD 4.25Å; L202-K204 VanDerWaalsContact C-N 3.32Å; L202-K204 PolarHBondContact O-N 2.76Å; K204-Q206 VanDerWaalsContact C-N 3.33Å; K204-Q206 PolarHBondContact O-N 3.1Å; K204-K207 WeakPolarHBondContact O-CB 3.42Å; K204-K207 PolarHBondContact O-N 2.86Å; K204-I208 WeakPolarHBondContact O-CG1 3.25Å; K204-I208 PolarHBondContact O-N 3.46Å
205D63.4Low70.4Confident88 Ų88125.7 Ų125.747%0.47164%0.639SS.*Hα-helixtrans-63.9-38.9179.4-62.1-19.7000111.6M201 L202 K207 I208 A209M201-D205 VanDerWaalsContact O-CG 3.29Å; M201-D205 PolarHBondContact O-N 3.41Å; L202-D205 PolarHBondContact O-N 3.11Å; D205-K207 VanDerWaalsContact C-N 3.27Å; D205-K207 PolarHBondContact O-N 2.71Å; D205-I208 PolarHBondContact O-N 2.9Å; D205-I208 VanDerWaalsContact O-N 3.15Å; D205-A209 PolarHBondContact O-N 3.48Å; D205-A209 VanDerWaalsContact O-N 3.16Å
206Q60.8Low69.5Low142 Ų142126.2 Ų126.266%0.66464%0.644SS**Hα-helixtrans-61.2-31.7172.3-77.3-179-400113.6L202 K204L202-Q206 WeakPolarHBondContact O-CB 3.44Å; L202-Q206 WeakPolarHBondContact O-CG 3.29Å; L202-Q206 PolarHBondContact O-N 2.59Å; K204-Q206 VanDerWaalsContact C-N 3.33Å; K204-Q206 PolarHBondContact O-N 3.1Å
207K59.3Low68.3Low170 Ų170126.4 Ų126.474%0.73965%0.65SS**Hα-helixtrans-77.7-22.5177.2-70177.1-177.5-167.10113K203 K204 D205K203-K207 WeakPolarHBondContact O-CG 3.23Å; K204-K207 WeakPolarHBondContact O-CB 3.42Å; K204-K207 PolarHBondContact O-N 2.86Å; D205-K207 VanDerWaalsContact C-N 3.27Å; D205-K207 PolarHBondContact O-N 2.71Å
208I59.9Low67.1Low139 Ų139127.3 Ų127.371%0.71366%0.658SS**Hα-helixtrans-83.3-23.4176.7-60.3165.4000110.6K204 D205K204-I208 WeakPolarHBondContact O-CG1 3.25Å; K204-I208 PolarHBondContact O-N 3.46Å; D205-I208 PolarHBondContact O-N 2.9Å; D205-I208 VanDerWaalsContact O-N 3.15Å
209A58.1Low65.7Low76 Ų76132.5 Ų132.563%0.62867%0.674SS**  trans-88.78.2179.800000115.3D205 K211D205-A209 PolarHBondContact O-N 3.48Å; D205-A209 VanDerWaalsContact O-N 3.16Å; A209-K211 PolarHBondContact O-N 3.45Å
210V54.8Low64.4Low116 Ų116135 Ų13570%0.70369%0.69SS**SBendtrans-69.5102.6170177.20000107.7L212V210-L212 PolarHBondContact O-N 3.3Å
211K54.4Low63Low185 Ų185133.8 Ų133.880%0.80470%0.7SS**  trans-43.5126.8-179.1-80.8174.9169.4177.50111.7A209 S213A209-K211 PolarHBondContact O-N 3.45Å; K211-S213 VanDerWaalsContact C-N 3.3Å; K211-S213 PolarHBondContact O-N 2.9Å
212L57.9Low61.7Low187 Ų187137.3 Ų137.398%0.97972%0.72SS**  trans-64.696.3152.3-65.8167000106.6V210V210-L212 PolarHBondContact O-N 3.3Å
213S45.2Very low60.1Low181 Ų181140 Ų140100%1.26673%0.734SS**  trans-98.90164.6640000109.6K211K211-S213 VanDerWaalsContact C-N 3.3Å; K211-S213 PolarHBondContact O-N 2.9Å

Retrieved 213 of 213 residues in 733.4 ms (Link to these results)

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