A0A087X7N9_POEFO Loading...

Prepronociceptin b

AlphaFold DB , UniProt , Accession A0A087X7N9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 255 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
1M54.2Low78.2Confident242 Ų242125.1 Ų125.1100%1.19265%0.649SS**  0123.40-64.4-177.7173.300107.3
2K74.6Confident77.6Confident209 Ų209122.9 Ų122.991%0.90964%0.638SS**  trans-94.9109.4-175.8-71.3156.4177.8167.90107.4P4K2-P4 WeakPolarHBondContact O-CD 3.43Å
3V77.4Confident77.1Confident96 Ų96116.6 Ų116.658%0.58262%0.621SS**  trans-66.7121.1173-179.20000106.6V5 C7 L8V3-V5 PolarHBondContact O-N 3.31Å; V3-C7 HydrophobicContact CG1-CB 3.88Å; V3-L8 HydrophobicContact CG1-CD2 4.41Å; V3-L8 HydrophobicContact CG1-CG 4.48Å
4P86.5Confident76.1Confident73 Ų73114 Ų11447%0.47462%0.616SS.*  trans-65.8138.7-178.227.4-32.8000109K2 W6 C7K2-P4 WeakPolarHBondContact O-CD 3.43Å; P4-W6 PolarHBondContact O-N 3.42Å; P4-C7 HydrophobicContact CG-CB 4.13Å; P4-C7 VanDerWaalsContact CG-SG 3.51Å; P4-C7 WeakPolarHBondContact O-CA 3.37Å; P4-C7 WeakPolarHBondContact O-CB 3.38Å; P4-C7 PolarHBondContact O-N 3.47Å
5V83.3Confident75Confident107 Ų107115.5 Ų115.565%0.64862%0.622SS**Hα-helixtrans-53.7-31.2-177.6175.90000112V3 C7 L8 V9V3-V5 PolarHBondContact O-N 3.31Å; V5-C7 VanDerWaalsContact C-N 3.33Å; V5-C7 PolarHBondContact O-N 3.46Å; V5-L8 WeakPolarHBondContact O-CB 3.39Å; V5-L8 PolarHBondContact O-N 3.17Å; V5-L8 VanDerWaalsContact O-N 3.07Å; V5-V9 WeakPolarHBondContact O-CG2 3.21Å; V5-V9 PolarHBondContact O-N 3.35Å
6W82.5Confident73.8Confident210 Ų210117.9 Ų117.980%0.79563%0.626SS**Hα-helixtrans-60.6-36.5173.3-67.482.1000113.6P4 L8 V9 V10P4-W6 PolarHBondContact O-N 3.42Å; W6-L8 VanDerWaalsContact C-N 3.3Å; W6-L8 PolarHBondContact O-N 3.1Å; W6-V9 PolarHBondContact O-N 3.43Å; W6-V10 VanDerWaalsContact O-CG2 3.31Å; W6-V10 WeakPolarHBondContact O-CG2 3.13Å; W6-V10 PolarHBondContact O-N 2.94Å
7C81.9Confident72.3Confident59 Ų59116.1 Ų116.140%0.39962%0.62SS.*Hα-helixtrans-65.5-35.5173.3-74.40000111.6V3 P4 V5 L11V3-C7 HydrophobicContact CG1-CB 3.88Å; P4-C7 HydrophobicContact CG-CB 4.13Å; P4-C7 VanDerWaalsContact CG-SG 3.51Å; P4-C7 WeakPolarHBondContact O-CA 3.37Å; P4-C7 WeakPolarHBondContact O-CB 3.38Å; P4-C7 PolarHBondContact O-N 3.47Å; V5-C7 VanDerWaalsContact C-N 3.33Å; V5-C7 PolarHBondContact O-N 3.46Å; C7-L11 VanDerWaalsContact O-CB 3.28Å; C7-L11 WeakPolarHBondContact O-CB 3.49Å; C7-L11 WeakPolarHBondContact O-CD1 3.22Å; C7-L11 WeakPolarHBondContact O-CG 3Å; C7-L11 PolarHBondContact O-N 3.05Å
8L82.1Confident71.1Confident103 Ų103115.7 Ų115.754%0.53963%0.625SS.*Hα-helixtrans-67.9-40.3175.1-62.9177.3000111.2V3 V5 W6 L11 L12V3-L8 HydrophobicContact CG1-CD2 4.41Å; V3-L8 HydrophobicContact CG1-CG 4.48Å; V5-L8 WeakPolarHBondContact O-CB 3.39Å; V5-L8 PolarHBondContact O-N 3.17Å; V5-L8 VanDerWaalsContact O-N 3.07Å; W6-L8 VanDerWaalsContact C-N 3.3Å; W6-L8 PolarHBondContact O-N 3.1Å; L8-L11 PolarHBondContact O-N 3.16Å; L8-L12 VanDerWaalsContact O-CB 3.24Å; L8-L12 WeakPolarHBondContact O-CB 3.23Å; L8-L12 PolarHBondContact O-N 3.4Å
9V80.8Confident69.9Low92 Ų92113.9 Ų113.956%0.55863%0.628SS**Hα-helixtrans-65.5-41.1176.6176.60000111.6V5 W6 L12 G13V5-V9 WeakPolarHBondContact O-CG2 3.21Å; V5-V9 PolarHBondContact O-N 3.35Å; W6-V9 PolarHBondContact O-N 3.43Å; V9-L12 PolarHBondContact O-N 3.36Å; V9-G13 PolarHBondContact O-N 3.14Å
10V80.5Confident68.9Low89 Ų89118.5 Ų118.554%0.53964%0.635SS.*Hα-helixtrans-67.2-44.3176171.80000110.9W6 L12 G13 C14W6-V10 VanDerWaalsContact O-CG2 3.31Å; W6-V10 WeakPolarHBondContact O-CG2 3.13Å; W6-V10 PolarHBondContact O-N 2.94Å; V10-L12 VanDerWaalsContact C-N 3.31Å; V10-L12 PolarHBondContact O-N 3.36Å; V10-G13 PolarHBondContact O-N 3.05Å; V10-C14 WeakPolarHBondContact O-CB 3.21Å; V10-C14 PolarHBondContact O-N 3.01Å; V10-C14 PolarHBondContact O-SG 3.38Å
11L76.4Confident68.3Low96 Ų96116.8 Ų116.850%0.50363%0.632SS.*Hα-helixtrans-63.3-38.8175.7-73.6170000111.7C7 L8 C14 L15C7-L11 VanDerWaalsContact O-CB 3.28Å; C7-L11 WeakPolarHBondContact O-CB 3.49Å; C7-L11 WeakPolarHBondContact O-CD1 3.22Å; C7-L11 WeakPolarHBondContact O-CG 3Å; C7-L11 PolarHBondContact O-N 3.05Å; L8-L11 PolarHBondContact O-N 3.16Å; L11-C14 PolarHBondContact O-N 3.11Å; L11-L15 WeakPolarHBondContact O-CB 3.3Å; L11-L15 WeakPolarHBondContact O-CG 2.88Å; L11-L15 PolarHBondContact O-N 2.83Å
12L71.4Confident69.1Low99 Ų99111.7 Ų111.752%0.51861%0.609SS.*Hα-helixtrans-63.8-45.2172.9-152.273.2000110L8 V9 V10 C14 L15 F16L8-L12 VanDerWaalsContact O-CB 3.24Å; L8-L12 WeakPolarHBondContact O-CB 3.23Å; L8-L12 PolarHBondContact O-N 3.4Å; V9-L12 PolarHBondContact O-N 3.36Å; V10-L12 VanDerWaalsContact C-N 3.31Å; V10-L12 PolarHBondContact O-N 3.36Å; L12-C14 VanDerWaalsContact C-N 3.3Å; L12-C14 PolarHBondContact O-N 2.71Å; L12-L15 PolarHBondContact O-N 3Å; L12-F16 HydrophobicContact CD1-CD2 3.96Å; L12-F16 HydrophobicContact CD1-CE2 3.31Å; L12-F16 HydrophobicContact CD1-CZ 4.18Å; L12-F16 HydrophobicContact CD2-CE2 4.35Å; L12-F16 HydrophobicContact CG-CD2 3.71Å; L12-F16 HydrophobicContact CG-CE2 3.45Å; L12-F16 VanDerWaalsContact CG-CE2 3.45Å; L12-F16 HydrophobicContact CG-CZ 4.3Å; L12-F16 VanDerWaalsContact O-CB 3.26Å; L12-F16 WeakPolarHBondContact O-CB 3.5Å; L12-F16 WeakPolarHBondContact O-CD2 3.45Å; L12-F16 PolarHBondContact O-N 3.39Å
13G70.4Confident69.3Low41 Ų41102.3 Ų102.342%0.42357%0.57SS.*Hα-helixtrans-58-39.1173.400000113.7V9 V10 T17V9-G13 PolarHBondContact O-N 3.14Å; V10-G13 PolarHBondContact O-N 3.05Å; G13-T17 PolarHBondContact O-N 3.43Å
14C64.1Low69.4Low80 Ų80104.3 Ų104.354%0.54157%0.573SS.*Hα-helixtrans-78-24.6178.7-64.40000114.2V10 L11 L12 T17V10-C14 WeakPolarHBondContact O-CB 3.21Å; V10-C14 PolarHBondContact O-N 3.01Å; V10-C14 PolarHBondContact O-SG 3.38Å; L11-C14 PolarHBondContact O-N 3.11Å; L12-C14 VanDerWaalsContact C-N 3.3Å; L12-C14 PolarHBondContact O-N 2.71Å; C14-T17 PolarHBondContact O-OG1 3.39Å
15L59.6Low69.2Low137 Ų137103 Ų10372%0.71757%0.572SS**Hα-helixtrans-86.1-23.4174.3-68.9169.4000111.9L11 L12L11-L15 WeakPolarHBondContact O-CB 3.3Å; L11-L15 WeakPolarHBondContact O-CG 2.88Å; L11-L15 PolarHBondContact O-N 2.83Å; L12-L15 PolarHBondContact O-N 3Å
16F55.4Low69.1Low154 Ų154101.2 Ų101.268%0.67556%0.557SS**Hα-helixtrans-96.4-6.1177.5-76.6-108.1000113.2L12 P18L12-F16 HydrophobicContact CD1-CD2 3.96Å; L12-F16 HydrophobicContact CD1-CE2 3.31Å; L12-F16 HydrophobicContact CD1-CZ 4.18Å; L12-F16 HydrophobicContact CD2-CE2 4.35Å; L12-F16 HydrophobicContact CG-CD2 3.71Å; L12-F16 HydrophobicContact CG-CE2 3.45Å; L12-F16 VanDerWaalsContact CG-CE2 3.45Å; L12-F16 HydrophobicContact CG-CZ 4.3Å; L12-F16 VanDerWaalsContact O-CB 3.26Å; L12-F16 WeakPolarHBondContact O-CB 3.5Å; L12-F16 WeakPolarHBondContact O-CD2 3.45Å; L12-F16 PolarHBondContact O-N 3.39Å; F16-P18 WeakPolarHBondContact O-CD 3.41Å; F16-P18 VanDerWaalsContact O-N 3.11Å
17T48.1Very low69.3Low86 Ų8691.2 Ų91.253%0.52852%0.519SS..SBendtrans-64.2110.4152.348.50000105G13 C14 A19G13-T17 PolarHBondContact O-N 3.43Å; C14-T17 PolarHBondContact O-OG1 3.39Å; T17-A19 PolarHBondContact O-N 2.95Å
18P51.3Low69.4Low110 Ų11092 Ų9271%0.71452%0.522SS*.  trans-52.5118.9171.524.3-31.4000104.2F16 R20F16-P18 WeakPolarHBondContact O-CD 3.41Å; F16-P18 VanDerWaalsContact O-N 3.11Å; P18-R20 VanDerWaalsContact C-N 3.3Å; P18-R20 PolarHBondContact O-N 2.94Å
19A47.7Very low69.5Low82 Ų8289.2 Ų89.268%0.67851%0.514SS*.  trans-44.2111.2168.200000103.6T17 C21T17-A19 PolarHBondContact O-N 2.95Å; A19-C21 PolarHBondContact O-N 3.35Å
20R50.6Low69.7Low204 Ų20485 Ų8577%0.7749%0.489SS*.  trans-60.298.4175.9-74.3-162.7177.5-145.5-0.1102.1P18 D22 E53P18-R20 VanDerWaalsContact C-N 3.3Å; P18-R20 PolarHBondContact O-N 2.94Å; R20-D22 PolarHBondContact O-N 3.36Å; R20-E53 IonicContact NH1-OE1 3.94Å; R20-E53 PolarHBondContact NH1-OE1 3.18Å; R20-E53 VanDerWaalsContact NH1-OE1 3.1Å
21C54.6Low69.9Low83 Ų8381.4 Ų81.456%0.56147%0.469SS*.  trans-49.3141.1174.6-61.50000104.3A19 C23A19-C21 PolarHBondContact O-N 3.35Å; C21-C23 HydrophobicContact CB-CB 4.47Å; C21-C23 PolarHBondContact O-N 2.74Å; C21-C23 PolarHBondContact O-SG 3.39Å
22D72.3Confident70.2Confident136 Ų13682.5 Ų82.573%0.72748%0.475SS*.THydrogen-bonded Turntrans-6737.3175.1-67.2-48.6000111.1R20 Q24 G25 E26R20-D22 PolarHBondContact O-N 3.36Å; D22-Q24 PolarHBondContact O-N 2.72Å; D22-Q24 VanDerWaalsContact O-N 3.17Å; D22-G25 CarbonylContact O-C 3.57Å; D22-G25 WeakPolarHBondContact O-CA 3.31Å; D22-G25 PolarHBondContact O-N 3.43Å; D22-E26 PolarHBondContact O-N 2.93Å
23C78.7Confident70.7Confident12 Ų1280.5 Ų80.58%0.08147%0.465CS..Hα-helixtrans-60.6-23.8177.364.70000112.1C21 G25 E26 C27 C52 W62C21-C23 HydrophobicContact CB-CB 4.47Å; C21-C23 PolarHBondContact O-N 2.74Å; C21-C23 PolarHBondContact O-SG 3.39Å; C23-G25 VanDerWaalsContact C-N 3.31Å; C23-E26 PolarHBondContact O-N 2.89Å; C23-C27 WeakPolarHBondContact O-CB 3.37Å; C23-C27 PolarHBondContact O-N 3.08Å; C23-C27 PolarHBondContact O-SG 3.36Å; C23-C52 HydrophobicContact CB-CB 3.63Å; C23-C52 WeakPolarHBondContact CB-SG 2.75Å; C23-C52 WeakPolarHBondContact SG-CB 3.33Å; C23-C52 CovalentContact SG-SG 1.99Å; C23-C52 PolarHBondContact SG-SG 3.3Å; C23-W62 HydrophobicContact CB-CH2 3.26Å; C23-W62 HydrophobicContact CB-CZ2 3.72Å; C23-W62 HydrophobicContact CB-CZ3 3.93Å
24Q80.3Confident71.1Confident137 Ų13779.2 Ų79.264%0.6445%0.448SS*.Hα-helixtrans-61.5-43.9168.6-173.3177.810.300111.1D22 V28 L49D22-Q24 PolarHBondContact O-N 2.72Å; D22-Q24 VanDerWaalsContact O-N 3.17Å; Q24-V28 VanDerWaalsContact O-CG2 3.24Å; Q24-V28 WeakPolarHBondContact O-CG2 3.44Å; Q24-V28 PolarHBondContact O-N 3.25Å; Q24-L49 HydrophobicContact CB-CD2 4Å; Q24-L49 HydrophobicContact CG-CD2 3.8Å
25G81.6Confident71.7Confident45 Ų4581.1 Ų81.146%0.46445%0.449SS..Hα-helixtrans-68-42.8173.900000112.2D22 C23 V28 A29D22-G25 CarbonylContact O-C 3.57Å; D22-G25 WeakPolarHBondContact O-CA 3.31Å; D22-G25 PolarHBondContact O-N 3.43Å; C23-G25 VanDerWaalsContact C-N 3.31Å; G25-V28 PolarHBondContact O-N 3.46Å; G25-A29 WeakPolarHBondContact O-CB 3.35Å; G25-A29 PolarHBondContact O-N 3.23Å
26E81.6Confident72.3Confident70 Ų7082.1 Ų82.133%0.32745%0.45SS..Hα-helixtrans-65.9-41.6179.8-61.6-177.2166.800112.4D22 C23 V28 A29 C30 W62D22-E26 PolarHBondContact O-N 2.93Å; C23-E26 PolarHBondContact O-N 2.89Å; E26-V28 PolarHBondContact O-N 3.48Å; E26-A29 PolarHBondContact O-N 3.36Å; E26-C30 WeakPolarHBondContact O-CB 3.45Å; E26-C30 PolarHBondContact O-N 3.49Å; E26-W62 HydrophobicContact CB-CH2 4.09Å; E26-W62 HydrophobicContact CB-CZ3 4.21Å; E26-W62 VanDerWaalsContact OE2-CH2 3.26Å; E26-W62 WeakPolarHBondContact OE2-CH2 3.45Å
27C85.1Confident73Confident0 Ų081.7 Ų81.70%045%0.45CS..Hα-helixtrans-62.9-41.1175.7-790000112.1C23 C30 G31 C48 L49 W62C23-C27 WeakPolarHBondContact O-CB 3.37Å; C23-C27 PolarHBondContact O-N 3.08Å; C23-C27 PolarHBondContact O-SG 3.36Å; C27-C30 WeakPolarHBondContact O-CB 3.36Å; C27-C30 PolarHBondContact O-N 2.98Å; C27-G31 PolarHBondContact O-N 2.99Å; C27-C48 VanDerWaalsContact CA-SG 3.53Å; C27-C48 HydrophobicContact CB-CB 3.86Å; C27-C48 WeakPolarHBondContact CB-SG 3.42Å; C27-C48 WeakPolarHBondContact SG-CB 3.23Å; C27-C48 PolarHBondContact SG-O 3.43Å; C27-C48 VanDerWaalsContact SG-O 3.32Å; C27-C48 CovalentContact SG-SG 2.05Å; C27-C48 PolarHBondContact SG-SG 3.44Å; C27-L49 HydrophobicContact CB-CD2 3.81Å; C27-L49 HydrophobicContact CB-CG 4.19Å; C27-W62 VanDerWaalsContact SG-CE3 3.53Å; C27-W62 WeakPolarHBondContact SG-CZ3 2.89Å
28V84.9Confident73.7Confident75 Ų7585.8 Ų85.846%0.45546%0.463SS..Hα-helixtrans-69.1-41.1177173.30000111Q24 G25 E26 C30 G31 L32 T45Q24-V28 VanDerWaalsContact O-CG2 3.24Å; Q24-V28 WeakPolarHBondContact O-CG2 3.44Å; Q24-V28 PolarHBondContact O-N 3.25Å; G25-V28 PolarHBondContact O-N 3.46Å; E26-V28 PolarHBondContact O-N 3.48Å; V28-C30 VanDerWaalsContact C-N 3.31Å; V28-C30 PolarHBondContact O-N 3.29Å; V28-G31 PolarHBondContact O-N 3.24Å; V28-L32 PolarHBondContact O-N 2.84Å; V28-T45 HydrophobicContact CG2-CG2 4.36Å
29A84.7Confident74.4Confident46 Ų4684.8 Ų84.838%0.3845%0.452SS..Hα-helixtrans-63.6-38.3175.100000111.8G25 E26 L32 L33G25-A29 WeakPolarHBondContact O-CB 3.35Å; G25-A29 PolarHBondContact O-N 3.23Å; E26-A29 PolarHBondContact O-N 3.36Å; A29-L32 PolarHBondContact O-N 2.85Å; A29-L33 PolarHBondContact O-N 3.01Å
30C85.1Confident75Confident3 Ų387.3 Ų87.32%0.0245%0.449CS..Hα-helixtrans-60-46.2170.9-950000113.4E26 C27 V28 L32 L33 L34 F43 C65 V69E26-C30 WeakPolarHBondContact O-CB 3.45Å; E26-C30 PolarHBondContact O-N 3.49Å; C27-C30 WeakPolarHBondContact O-CB 3.36Å; C27-C30 PolarHBondContact O-N 2.98Å; V28-C30 VanDerWaalsContact C-N 3.31Å; V28-C30 PolarHBondContact O-N 3.29Å; C30-L32 PolarHBondContact O-N 3.3Å; C30-L33 PolarHBondContact O-N 2.92Å; C30-L33 VanDerWaalsContact O-N 3.1Å; C30-L34 VanDerWaalsContact O-CB 3.31Å; C30-L34 WeakPolarHBondContact O-CB 3.49Å; C30-L34 PolarHBondContact O-N 3.38Å; C30-F43 HydrophobicContact CB-CE1 4.13Å; C30-F43 HydrophobicContact CB-CZ 3.73Å; C30-C65 HydrophobicContact CB-CB 3.81Å; C30-C65 WeakPolarHBondContact CB-SG 3.49Å; C30-C65 WeakPolarHBondContact SG-CA 3.39Å; C30-C65 WeakPolarHBondContact SG-CB 3.34Å; C30-C65 PolarHBondContact SG-O 3.46Å; C30-C65 CovalentContact SG-SG 2.02Å; C30-C65 PolarHBondContact SG-SG 3.32Å; C30-V69 WeakPolarHBondContact SG-CG2 3.38Å
31G83.3Confident75.5Confident13 Ų1387.4 Ų87.413%0.13446%0.459CS..Hα-helixtrans-54.6-41.9178.200000111.5C27 V28 Q35C27-G31 PolarHBondContact O-N 2.99Å; V28-G31 PolarHBondContact O-N 3.24Å; G31-Q35 WeakPolarHBondContact O-CB 3.11Å; G31-Q35 PolarHBondContact O-N 3.21Å
32L84Confident76Confident119 Ų11986.8 Ų86.862%0.62346%0.459SS*.Hα-helixtrans-68.4-41.1176.5-63.9173.8000113.2V28 A29 C30 Q36V28-L32 PolarHBondContact O-N 2.84Å; A29-L32 PolarHBondContact O-N 2.85Å; C30-L32 PolarHBondContact O-N 3.3Å; L32-Q36 PolarHBondContact O-N 3.1Å
33L81.6Confident76.1Confident57 Ų5781.6 Ų81.630%0.29843%0.43SS..Hα-helixtrans-65.9-39.8176.9-79165.6000111.9A29 C30 Q36 Q37A29-L33 PolarHBondContact O-N 3.01Å; C30-L33 PolarHBondContact O-N 2.92Å; C30-L33 VanDerWaalsContact O-N 3.1Å; L33-Q36 WeakPolarHBondContact O-CB 3.48Å; L33-Q36 PolarHBondContact O-N 2.93Å; L33-Q37 PolarHBondContact O-N 3.2Å
34L78.5Confident76.4Confident15 Ų1584.8 Ų84.88%0.07945%0.446CS..Hα-helixtrans-77.7-32.4-176.8-140.578.8000112.4C30 Q36 Q37 Q38 L39 F43C30-L34 VanDerWaalsContact O-CB 3.31Å; C30-L34 WeakPolarHBondContact O-CB 3.49Å; C30-L34 PolarHBondContact O-N 3.38Å; L34-Q36 PolarHBondContact O-N 2.93Å; L34-Q37 CarbonylContact O-C 3.58Å; L34-Q37 PolarHBondContact O-N 3.35Å; L34-Q37 VanDerWaalsContact O-N 3.09Å; L34-Q38 PolarHBondContact O-N 3.49Å; L34-L39 HydrophobicContact CD1-CB 4.44Å; L34-L39 HydrophobicContact CD1-CD2 4.2Å; L34-L39 HydrophobicContact CD2-CB 4.17Å; L34-L39 HydrophobicContact CD2-CD2 4.16Å; L34-L39 HydrophobicContact CD2-CG 4.46Å; L34-L39 WeakPolarHBondContact CD2-O 3.21Å; L34-L39 HydrophobicContact CG-CB 3.95Å; L34-L39 HydrophobicContact CG-CD2 4.36Å; L34-L39 PolarHBondContact O-N 2.97Å; L34-F43 HydrophobicContact CD2-CB 3.09Å; L34-F43 HydrophobicContact CD2-CD1 4.06Å; L34-F43 HydrophobicContact CD2-CD2 4.08Å; L34-F43 HydrophobicContact CD2-CG 3.5Å; L34-F43 VanDerWaalsContact CD2-CG 3.5Å
35Q77Confident76.5Confident119 Ų11980.4 Ų80.456%0.55643%0.429SS*.Hα-helixtrans-60.5-33.2167.7-172.7178.3-3100111.5G31G31-Q35 WeakPolarHBondContact O-CB 3.11Å; G31-Q35 PolarHBondContact O-N 3.21Å
36Q72.8Confident76.6Confident158 Ų15883.5 Ų83.574%0.73843%0.434SS*.Hα-helixtrans-70.6-34.2173.4-166.3-165.67900112.3L32 L33 L34L32-Q36 PolarHBondContact O-N 3.1Å; L33-Q36 WeakPolarHBondContact O-CB 3.48Å; L33-Q36 PolarHBondContact O-N 2.93Å; L34-Q36 PolarHBondContact O-N 2.93Å
37Q69.6Low76.7Confident145 Ų14582.4 Ų82.468%0.67843%0.432SS*.THydrogen-bonded Turntrans-89.711-177.2-70.4-160.51200115.2L33 L34 L39L33-Q37 PolarHBondContact O-N 3.2Å; L34-Q37 CarbonylContact O-C 3.58Å; L34-Q37 PolarHBondContact O-N 3.35Å; L34-Q37 VanDerWaalsContact O-N 3.09Å; Q37-L39 PolarHBondContact O-N 3.13Å; Q37-L39 VanDerWaalsContact O-N 3.14Å
38Q61.9Low76.6Confident172 Ų17282.4 Ų82.480%0.80443%0.432SS*.THydrogen-bonded Turntrans57.325.9177.4-72-81.5-13.300114L34L34-Q38 PolarHBondContact O-N 3.49Å
39L66Low76.5Confident90 Ų9081.1 Ų81.147%0.47142%0.422SS..  trans-104.841.1174.6-161.380.4000110.1L34 Q37 E41L34-L39 HydrophobicContact CD1-CB 4.44Å; L34-L39 HydrophobicContact CD1-CD2 4.2Å; L34-L39 HydrophobicContact CD2-CB 4.17Å; L34-L39 HydrophobicContact CD2-CD2 4.16Å; L34-L39 HydrophobicContact CD2-CG 4.46Å; L34-L39 WeakPolarHBondContact CD2-O 3.21Å; L34-L39 HydrophobicContact CG-CB 3.95Å; L34-L39 HydrophobicContact CG-CD2 4.36Å; L34-L39 PolarHBondContact O-N 2.97Å; Q37-L39 PolarHBondContact O-N 3.13Å; Q37-L39 VanDerWaalsContact O-N 3.14Å; L39-E41 PolarHBondContact O-N 2.74Å
40E61.3Low76.4Confident135 Ų13582.5 Ų82.563%0.63142%0.423SS*.G310 helixtrans-66.5-24.9178.8-80.3-154.4109.200112.7A42E40-A42 PolarHBondContact O-N 3.4Å
41E61.5Low76.3Confident206 Ų20683.2 Ų83.296%0.96343%0.426SS*.G310 helixtrans-74-10.1-172-122.3166.4165.100114.2L39L39-E41 PolarHBondContact O-N 2.74Å
42A63.9Low76.1Confident69 Ų6984.3 Ų84.357%0.5743%0.431SS*.G310 helixtrans-123.91.7-173.800000114.8E40E40-A42 PolarHBondContact O-N 3.4Å
43F75.3Confident75.8Confident28 Ų2884.6 Ų84.612%0.12343%0.429CS..  trans-130.7114.5-175-172.2-100.1000112.8C30 L34 C48 C65C30-F43 HydrophobicContact CB-CE1 4.13Å; C30-F43 HydrophobicContact CB-CZ 3.73Å; L34-F43 HydrophobicContact CD2-CB 3.09Å; L34-F43 HydrophobicContact CD2-CD1 4.06Å; L34-F43 HydrophobicContact CD2-CD2 4.08Å; L34-F43 HydrophobicContact CD2-CG 3.5Å; L34-F43 VanDerWaalsContact CD2-CG 3.5Å; F43-C48 HydrophobicContact CE2-CB 4.04Å; F43-C48 HydrophobicContact CZ-CB 3.81Å; F43-C65 HydrophobicContact CE2-CB 3.85Å; F43-C65 HydrophobicContact CZ-CB 4.17Å
44D83.8Confident75.4Confident79 Ų7984.6 Ų84.642%0.42244%0.443SS..  trans-103.7121.1168-171.8-16.1000109.1I46 V47 C48D44-I46 PolarHBondContact O-N 3.41Å; D44-I46 WeakPolarHBondContact OD1-CB 3.33Å; D44-I46 PolarHBondContact OD1-N 3.07Å; D44-V47 HydrophobicContact CB-CB 4.01Å; D44-V47 HydrophobicContact CB-CG2 3.67Å; D44-V47 PolarHBondContact O-N 3.05Å; D44-C48 PolarHBondContact O-N 3.31Å; D44-C48 VanDerWaalsContact O-N 3.1Å
45T83.9Confident74.3Confident44 Ų4491.2 Ų91.227%0.2747%0.473SS..Hα-helixtrans-63-31.6178.7-51.90000111.1V28 C48 L49V28-T45 HydrophobicContact CG2-CG2 4.36Å; T45-C48 WeakPolarHBondContact O-CB 3.47Å; T45-C48 PolarHBondContact O-N 2.84Å; T45-L49 VanDerWaalsContact O-CG 3.28Å; T45-L49 WeakPolarHBondContact O-CG 3.5Å; T45-L49 PolarHBondContact O-N 2.82Å; T45-L49 VanDerWaalsContact O-N 3.15Å
46I83.2Confident73.2Confident111 Ų11188.9 Ų88.957%0.56947%0.467SS*.Hα-helixtrans-70.2-39179-59.8169.8000110.1D44 L49 L50D44-I46 PolarHBondContact O-N 3.41Å; D44-I46 WeakPolarHBondContact OD1-CB 3.33Å; D44-I46 PolarHBondContact OD1-N 3.07Å; I46-L49 PolarHBondContact O-N 3.24Å; I46-L50 HydrophobicContact CG2-CD1 4.12Å; I46-L50 WeakPolarHBondContact O-CG 3.24Å; I46-L50 PolarHBondContact O-N 3.17Å
47V83.4Confident72.1Confident47 Ų4787.5 Ų87.529%0.28548%0.475SS..Hα-helixtrans-65.8-42.1176.3178.50000110.7D44 L49 L50 E51 T61D44-V47 HydrophobicContact CB-CB 4.01Å; D44-V47 HydrophobicContact CB-CG2 3.67Å; D44-V47 PolarHBondContact O-N 3.05Å; V47-L49 VanDerWaalsContact C-N 3.29Å; V47-L49 PolarHBondContact O-N 2.87Å; V47-L50 PolarHBondContact O-N 3.32Å; V47-E51 HydrophobicContact CG1-CG 4.36Å; V47-E51 VanDerWaalsContact CG1-OE1 3.31Å; V47-E51 WeakPolarHBondContact CG1-OE1 3.34Å; V47-E51 WeakPolarHBondContact O-CB 3.26Å; V47-E51 WeakPolarHBondContact O-CG 3.16Å; V47-E51 PolarHBondContact O-N 2.9Å; V47-T61 HydrophobicContact CG1-CG2 4.24Å
48C83.5Confident71.4Confident0 Ų084.8 Ų84.80%047%0.468CS..Hα-helixtrans-55.8-41.7173-175.80000112.6C27 F43 D44 T45 C52C27-C48 VanDerWaalsContact CA-SG 3.53Å; C27-C48 HydrophobicContact CB-CB 3.86Å; C27-C48 WeakPolarHBondContact CB-SG 3.42Å; C27-C48 WeakPolarHBondContact SG-CB 3.23Å; C27-C48 PolarHBondContact SG-O 3.43Å; C27-C48 VanDerWaalsContact SG-O 3.32Å; C27-C48 CovalentContact SG-SG 2.05Å; C27-C48 PolarHBondContact SG-SG 3.44Å; F43-C48 HydrophobicContact CE2-CB 4.04Å; F43-C48 HydrophobicContact CZ-CB 3.81Å; D44-C48 PolarHBondContact O-N 3.31Å; D44-C48 VanDerWaalsContact O-N 3.1Å; T45-C48 WeakPolarHBondContact O-CB 3.47Å; T45-C48 PolarHBondContact O-N 2.84Å; C48-C52 PolarHBondContact O-N 3.21Å
49L83.1Confident71.4Confident47 Ų4779.2 Ų79.225%0.24645%0.448CS..Hα-helixtrans-67.9-42.3177.7-67.8171.7000112.2Q24 C27 T45 I46 V47 C52 E53Q24-L49 HydrophobicContact CB-CD2 4Å; Q24-L49 HydrophobicContact CG-CD2 3.8Å; C27-L49 HydrophobicContact CB-CD2 3.81Å; C27-L49 HydrophobicContact CB-CG 4.19Å; T45-L49 VanDerWaalsContact O-CG 3.28Å; T45-L49 WeakPolarHBondContact O-CG 3.5Å; T45-L49 PolarHBondContact O-N 2.82Å; T45-L49 VanDerWaalsContact O-N 3.15Å; I46-L49 PolarHBondContact O-N 3.24Å; V47-L49 VanDerWaalsContact C-N 3.29Å; V47-L49 PolarHBondContact O-N 2.87Å; L49-C52 PolarHBondContact O-N 3.3Å; L49-E53 PolarHBondContact O-N 2.88Å
50L81Confident71.6Confident75 Ų7581.1 Ų81.139%0.39346%0.458SS..Hα-helixtrans-68.8-36.3178.5-68.8170.2000112.5I46 V47 G54 H55 V56I46-L50 HydrophobicContact CG2-CD1 4.12Å; I46-L50 WeakPolarHBondContact O-CG 3.24Å; I46-L50 PolarHBondContact O-N 3.17Å; V47-L50 PolarHBondContact O-N 3.32Å; L50-G54 PolarHBondContact O-N 2.66Å; L50-H55 PolarHBondContact O-N 1.99Å; L50-V56 HydrophobicContact CB-CG2 4.01Å
51E82.9Confident72.1Confident18 Ų1876 Ų768%0.08444%0.436CS..Hα-helixtrans-66.3-40.1172-75.6177.8-153.100111.2V47 G54 V56 T58 T61 W62V47-E51 HydrophobicContact CG1-CG 4.36Å; V47-E51 VanDerWaalsContact CG1-OE1 3.31Å; V47-E51 WeakPolarHBondContact CG1-OE1 3.34Å; V47-E51 WeakPolarHBondContact O-CB 3.26Å; V47-E51 WeakPolarHBondContact O-CG 3.16Å; V47-E51 PolarHBondContact O-N 2.9Å; E51-G54 PolarHBondContact O-N 2.77Å; E51-V56 HydrophobicContact CG-CB 4.44Å; E51-V56 HydrophobicContact CG-CG2 4.4Å; E51-T58 WeakPolarHBondContact CG-O 3.07Å; E51-T61 PolarHBondContact OE1-OG1 3.44Å; E51-T61 PolarHBondContact OE2-N 3.31Å; E51-T61 PolarHBondContact OE2-OG1 3.02Å; E51-T61 VanDerWaalsContact OE2-OG1 3.08Å; E51-W62 HydrophobicContact CB-CB 4.04Å; E51-W62 WeakPolarHBondContact OE2-CB 3.11Å; E51-W62 PolarHBondContact OE2-N 2.94Å
52C79.6Confident72.6Confident36 Ų3667.3 Ų67.324%0.24340%0.395CS..Hα-helixtrans-66.5-43.5176.7-179.10000113C23 C48 L49 G54C23-C52 HydrophobicContact CB-CB 3.63Å; C23-C52 WeakPolarHBondContact CB-SG 2.75Å; C23-C52 WeakPolarHBondContact SG-CB 3.33Å; C23-C52 CovalentContact SG-SG 1.99Å; C23-C52 PolarHBondContact SG-SG 3.3Å; C48-C52 PolarHBondContact O-N 3.21Å; L49-C52 PolarHBondContact O-N 3.3Å; C52-G54 PolarHBondContact O-N 3.01Å
53E79.1Confident73Confident125 Ų12567.7 Ų67.758%0.58438%0.384SS*.Hα-helixtrans-71.8-7.2178.9-69.3-159.613700112.9R20 L49R20-E53 IonicContact NH1-OE1 3.94Å; R20-E53 PolarHBondContact NH1-OE1 3.18Å; R20-E53 VanDerWaalsContact NH1-OE1 3.1Å; L49-E53 PolarHBondContact O-N 2.88Å
54G72.1Confident73.1Confident58 Ų5868.8 Ų68.860%0.59839%0.394SS*.THydrogen-bonded Turntrans92.827.3170.900000114.5L50 E51 C52L50-G54 PolarHBondContact O-N 2.66Å; E51-G54 PolarHBondContact O-N 2.77Å; C52-G54 PolarHBondContact O-N 3.01Å
55H56.2Low73Confident153 Ų15365.1 Ų65.171%0.70837%0.374SS*.  trans-104.56.5-177.3-81.9-22.7000116.2L50L50-H55 PolarHBondContact O-N 1.99Å
56V52.2Low72.5Confident71 Ų7168.2 Ų68.243%0.4338%0.381SS..  trans-151.1134.6173.8-133.60000111.6L50 E51 T58L50-V56 HydrophobicContact CB-CG2 4.01Å; E51-V56 HydrophobicContact CG-CB 4.44Å; E51-V56 HydrophobicContact CG-CG2 4.4Å; V56-T58 VanDerWaalsContact C-N 3.28Å; V56-T58 PolarHBondContact O-N 3.33Å
57S51.1Low72.1Confident129 Ų12969.8 Ų69.890%0.90238%0.38SS*.SBendtrans-77.8-4.8-173.1-43.90000114.8S59S57-S59 PolarHBondContact O-N 2.86Å
58T54.9Low71.6Confident87 Ų8768.9 Ų68.953%0.53438%0.377SS..  trans-92.290.2179.752.70000108.9E51 V56 L60E51-T58 WeakPolarHBondContact CG-O 3.07Å; V56-T58 VanDerWaalsContact C-N 3.28Å; V56-T58 PolarHBondContact O-N 3.33Å; T58-L60 PolarHBondContact O-N 3Å
59S61.9Low71.1Confident55 Ų5569.5 Ų69.539%0.38538%0.38SS..THydrogen-bonded Turntrans-71.115.9-178.258.10000115.1S57 E63S57-S59 PolarHBondContact O-N 2.86Å; S59-E63 WeakPolarHBondContact CB-OE1 3.43Å; S59-E63 VanDerWaalsContact O-CB 3.23Å; S59-E63 WeakPolarHBondContact O-CB 2.94Å; S59-E63 VanDerWaalsContact O-CG 3.22Å; S59-E63 WeakPolarHBondContact O-CG 3.46Å; S59-E63 PolarHBondContact O-N 3.2Å; S59-E63 PolarHBondContact OG-OE1 3.04Å
60L69.7Low70.6Confident131 Ų13173.6 Ų73.669%0.68640%0.396SS*.Hα-helixtrans-75-35.2-162.3-137.5146.2000111.7T58 V64T58-L60 PolarHBondContact O-N 3Å; L60-V64 WeakPolarHBondContact O-CG2 3.26Å; L60-V64 PolarHBondContact O-N 3.33Å
61T72.3Confident69.7Low26 Ų2676.4 Ų76.416%0.1641%0.411CS..Hα-helixtrans-82.8-39.1-179.269.70000111.7V47 E51 V64 C65V47-T61 HydrophobicContact CG1-CG2 4.24Å; E51-T61 PolarHBondContact OE1-OG1 3.44Å; E51-T61 PolarHBondContact OE2-N 3.31Å; E51-T61 PolarHBondContact OE2-OG1 3.02Å; E51-T61 VanDerWaalsContact OE2-OG1 3.08Å; T61-V64 PolarHBondContact O-N 3.15Å; T61-C65 WeakPolarHBondContact O-CB 3.04Å; T61-C65 PolarHBondContact O-N 3.28Å
62W71.1Confident68.7Low25 Ų2578.6 Ų78.610%0.09543%0.428CS..Hα-helixtrans-66.7-40.1175.9175.8-125.6000112.8C23 E26 C27 E51 C65 R66C23-W62 HydrophobicContact CB-CH2 3.26Å; C23-W62 HydrophobicContact CB-CZ2 3.72Å; C23-W62 HydrophobicContact CB-CZ3 3.93Å; E26-W62 HydrophobicContact CB-CH2 4.09Å; E26-W62 HydrophobicContact CB-CZ3 4.21Å; E26-W62 VanDerWaalsContact OE2-CH2 3.26Å; E26-W62 WeakPolarHBondContact OE2-CH2 3.45Å; C27-W62 VanDerWaalsContact SG-CE3 3.53Å; C27-W62 WeakPolarHBondContact SG-CZ3 2.89Å; E51-W62 HydrophobicContact CB-CB 4.04Å; E51-W62 WeakPolarHBondContact OE2-CB 3.11Å; E51-W62 PolarHBondContact OE2-N 2.94Å; W62-C65 HydrophobicContact CE3-CB 4.41Å; W62-C65 PolarHBondContact O-N 3.32Å; W62-R66 WeakPolarHBondContact O-CB 3.12Å; W62-R66 PolarHBondContact O-N 3.47Å
63E73.4Confident67.8Low76 Ų7683.6 Ų83.636%0.35545%0.448SS..Hα-helixtrans-67-39.1177-78.2-176.9-14900112.9S59 C65 R66 R67S59-E63 WeakPolarHBondContact CB-OE1 3.43Å; S59-E63 VanDerWaalsContact O-CB 3.23Å; S59-E63 WeakPolarHBondContact O-CB 2.94Å; S59-E63 VanDerWaalsContact O-CG 3.22Å; S59-E63 WeakPolarHBondContact O-CG 3.46Å; S59-E63 PolarHBondContact O-N 3.2Å; S59-E63 PolarHBondContact OG-OE1 3.04Å; E63-C65 VanDerWaalsContact C-N 3.33Å; E63-R66 PolarHBondContact O-N 2.02Å; E63-R67 VanDerWaalsContact O-CG 3.3Å; E63-R67 WeakPolarHBondContact O-CG 3.32Å; E63-R67 PolarHBondContact O-N 3.26Å; E63-R67 IonicContact OE2-CZ 2.83Å; E63-R67 IonicContact OE2-NH2 3.1Å; E63-R67 PolarHBondContact OE2-NH2 3.1Å
64V77.6Confident66.1Low52 Ų5285 Ų8532%0.31545%0.454SS..Hα-helixtrans-62.7-44.9174.5170.10000109.9L60 T61 R67 A68L60-V64 WeakPolarHBondContact O-CG2 3.26Å; L60-V64 PolarHBondContact O-N 3.33Å; T61-V64 PolarHBondContact O-N 3.15Å; V64-R67 PolarHBondContact O-N 3.1Å; V64-A68 WeakPolarHBondContact O-CB 3.37Å; V64-A68 PolarHBondContact O-N 3.22Å
65C79.8Confident64.6Low2 Ų286.9 Ų86.91%0.01446%0.456CS..Hα-helixtrans-59.2-49.6174.61720000112.1C30 F43 T61 W62 E63 R67 A68 V69C30-C65 HydrophobicContact CB-CB 3.81Å; C30-C65 WeakPolarHBondContact CB-SG 3.49Å; C30-C65 WeakPolarHBondContact SG-CA 3.39Å; C30-C65 WeakPolarHBondContact SG-CB 3.34Å; C30-C65 PolarHBondContact SG-O 3.46Å; C30-C65 CovalentContact SG-SG 2.02Å; C30-C65 PolarHBondContact SG-SG 3.32Å; F43-C65 HydrophobicContact CE2-CB 3.85Å; F43-C65 HydrophobicContact CZ-CB 4.17Å; T61-C65 WeakPolarHBondContact O-CB 3.04Å; T61-C65 PolarHBondContact O-N 3.28Å; W62-C65 HydrophobicContact CE3-CB 4.41Å; W62-C65 PolarHBondContact O-N 3.32Å; E63-C65 VanDerWaalsContact C-N 3.33Å; C65-R67 VanDerWaalsContact C-N 3.29Å; C65-R67 PolarHBondContact O-N 2.8Å; C65-A68 WeakPolarHBondContact O-CB 3.31Å; C65-A68 PolarHBondContact O-N 3.43Å; C65-A68 VanDerWaalsContact O-N 3.1Å; C65-V69 WeakPolarHBondContact O-CG2 3.31Å; C65-V69 PolarHBondContact O-N 2.05Å
66R74.4Confident63.9Low109 Ų10986.3 Ų86.341%0.41146%0.463SS..Hα-helixtrans-59.5-37.9178.3-180-178.1-80.6-168.5-6.9112.3W62 E63 K70W62-R66 WeakPolarHBondContact O-CB 3.12Å; W62-R66 PolarHBondContact O-N 3.47Å; E63-R66 PolarHBondContact O-N 2.02Å; R66-K70 HydrophobicContact CG-CD 4.21Å; R66-K70 WeakPolarHBondContact O-CB 3.48Å; R66-K70 WeakPolarHBondContact O-CG 3.17Å; R66-K70 PolarHBondContact O-N 3.25Å
67R74.9Confident63Low144 Ų14491 Ų9154%0.54349%0.485SS..Hα-helixtrans-67.9-42.9174.9-71.4176.4-151.1153.97.3111E63 V64 C65 V69 K70 L71E63-R67 VanDerWaalsContact O-CG 3.3Å; E63-R67 WeakPolarHBondContact O-CG 3.32Å; E63-R67 PolarHBondContact O-N 3.26Å; E63-R67 IonicContact OE2-CZ 2.83Å; E63-R67 IonicContact OE2-NH2 3.1Å; E63-R67 PolarHBondContact OE2-NH2 3.1Å; V64-R67 PolarHBondContact O-N 3.1Å; C65-R67 VanDerWaalsContact C-N 3.29Å; C65-R67 PolarHBondContact O-N 2.8Å; R67-V69 PolarHBondContact O-N 3.38Å; R67-K70 PolarHBondContact O-N 3.22Å; R67-L71 WeakPolarHBondContact O-CB 3.34Å; R67-L71 VanDerWaalsContact O-CG 3.23Å; R67-L71 WeakPolarHBondContact O-CG 2.99Å; R67-L71 PolarHBondContact O-N 3.13Å
68A72.3Confident62.1Low27 Ų2789.2 Ų89.222%0.22348%0.478CS..Hα-helixtrans-62.7-41.9176.600000112.4V64 C65 L71 S72V64-A68 WeakPolarHBondContact O-CB 3.37Å; V64-A68 PolarHBondContact O-N 3.22Å; C65-A68 WeakPolarHBondContact O-CB 3.31Å; C65-A68 PolarHBondContact O-N 3.43Å; C65-A68 VanDerWaalsContact O-N 3.1Å; A68-L71 PolarHBondContact O-N 2.86Å; A68-S72 PolarHBondContact O-N 2.93Å; A68-S72 PolarHBondContact O-OG 3.24Å
69V73.6Confident61.5Low13 Ų1394.6 Ų94.68%0.07950%0.497CS..Hα-helixtrans-67.9-42175.8175.10000111.2C30 C65 R67 L71 S72 H73C30-V69 WeakPolarHBondContact SG-CG2 3.38Å; C65-V69 WeakPolarHBondContact O-CG2 3.31Å; C65-V69 PolarHBondContact O-N 2.05Å; R67-V69 PolarHBondContact O-N 3.38Å; V69-L71 VanDerWaalsContact C-N 3.29Å; V69-L71 PolarHBondContact O-N 3.38Å; V69-S72 WeakPolarHBondContact CA-OG 3.5Å; V69-S72 PolarHBondContact O-N 3.47Å; V69-S72 PolarHBondContact O-OG 3.03Å; V69-H73 VanDerWaalsContact O-CB 3.31Å; V69-H73 WeakPolarHBondContact O-CB 3.31Å; V69-H73 PolarHBondContact O-CD2 3.14Å; V69-H73 PolarHBondContact O-N 3.38Å
70K72Confident60Low133 Ų13395.3 Ų95.358%0.57851%0.514SS*.Hα-helixtrans-61.4-37.6174.7-77.9174.8179.5-174.90112.5R66 R67 Q74R66-K70 HydrophobicContact CG-CD 4.21Å; R66-K70 WeakPolarHBondContact O-CB 3.48Å; R66-K70 WeakPolarHBondContact O-CG 3.17Å; R66-K70 PolarHBondContact O-N 3.25Å; R67-K70 PolarHBondContact O-N 3.22Å; K70-Q74 PolarHBondContact O-N 3.41Å; K70-Q74 VanDerWaalsContact O-N 3.13Å
71L63.2Low58.3Low135 Ų13593.1 Ų93.171%0.70752%0.522SS*.Hα-helixtrans-71-33177-69.9171.4000112.5R67 A68 V69R67-L71 WeakPolarHBondContact O-CB 3.34Å; R67-L71 VanDerWaalsContact O-CG 3.23Å; R67-L71 WeakPolarHBondContact O-CG 2.99Å; R67-L71 PolarHBondContact O-N 3.13Å; A68-L71 PolarHBondContact O-N 2.86Å; V69-L71 VanDerWaalsContact C-N 3.29Å; V69-L71 PolarHBondContact O-N 3.38Å
72S62Low56.4Low63 Ų6395.8 Ų95.844%0.44155%0.547SS..Hα-helixtrans-77.7-30.3174.667.60000112.9A68 V69 Q74A68-S72 PolarHBondContact O-N 2.93Å; A68-S72 PolarHBondContact O-OG 3.24Å; V69-S72 WeakPolarHBondContact CA-OG 3.5Å; V69-S72 PolarHBondContact O-N 3.47Å; V69-S72 PolarHBondContact O-OG 3.03Å; S72-Q74 VanDerWaalsContact C-N 3.32Å
73H60.6Low55.1Low141 Ų141102.8 Ų102.865%0.65359%0.586SS**Hα-helixtrans-80.1-9.4175.7-81.8-118.8000113.8V69 P75V69-H73 VanDerWaalsContact O-CB 3.31Å; V69-H73 WeakPolarHBondContact O-CB 3.31Å; V69-H73 PolarHBondContact O-CD2 3.14Å; V69-H73 PolarHBondContact O-N 3.38Å; H73-P75 WeakPolarHBondContact O-CD 3.28Å
74Q43Very low53.1Low154 Ų154107.9 Ų107.972%0.7261%0.607SS**  trans-77.995.8168.6-167.1101.612.500107.4K70 S72K70-Q74 PolarHBondContact O-N 3.41Å; K70-Q74 VanDerWaalsContact O-N 3.13Å; S72-Q74 VanDerWaalsContact C-N 3.32Å
75P41.3Very low51.1Low99 Ų99114.9 Ų114.964%0.64363%0.633SS**  trans-73.2144172.85.817.6000105.3H73 L77H73-P75 WeakPolarHBondContact O-CD 3.28Å; P75-L77 VanDerWaalsContact C-N 3.32Å; P75-L77 PolarHBondContact O-N 3.27Å
76T39.7Very low49.2Very low140 Ų140126.8 Ų126.886%0.85968%0.678SS**  trans-40.592.6162.349.30000111.6A78T76-A78 VanDerWaalsContact C-N 3.28Å; T76-A78 PolarHBondContact O-N 3.38Å
77L35.2Very low47.1Very low169 Ų169126.3 Ų126.389%0.88570%0.697SS**  trans-94.373.6162-158.1173.9000106.6P75P75-L77 VanDerWaalsContact C-N 3.32Å; P75-L77 PolarHBondContact O-N 3.27Å
78A31.7Very low45.3Very low92 Ų92123.2 Ų123.276%0.7671%0.71SS**  trans-142.977.5161.300000106T76T76-A78 VanDerWaalsContact C-N 3.28Å; T76-A78 PolarHBondContact O-N 3.38Å
79E41.8Very low43.3Very low200 Ų200131.2 Ų131.294%0.93574%0.743SS**  trans-69.8122.7167.2-174.4172-178.700108.3
80G30.7Very low41.7Very low71 Ų71137.4 Ų137.473%0.73277%0.771SS**  trans165.687.3177.200000111.2
81G34.2Very low40.2Very low84 Ų84136.2 Ų136.287%0.86678%0.777SS**  trans-61.7149.1-171.800000115.4
82A31.5Very low38.5Very low82 Ų82135.7 Ų135.768%0.67878%0.775SS**  trans-161.3118.9145.500000110F84A82-F84 HydrophobicContact CB-CD2 4.12Å; A82-F84 HydrophobicContact CB-CE2 4.34Å; A82-F84 PolarHBondContact O-N 3.09Å
83L44.5Very low37.1Very low172 Ų172140.7 Ų140.790%0.90180%0.796SS**  trans-53.1105.9156.7-98.8162.6000110.5
84F31.3Very low35.7Very low184 Ų184139.9 Ų139.981%0.80780%0.801SS**  trans-149.1100.9153.8-74.7-74.4000107.9A82A82-F84 HydrophobicContact CB-CD2 4.12Å; A82-F84 HydrophobicContact CB-CE2 4.34Å; A82-F84 PolarHBondContact O-N 3.09Å
85K35.9Very low35.1Very low198 Ų198144 Ų14486%0.86181%0.81SS**  64.5117.186.9-146.8176.9-169.5-179.30112.1
86R39.7Very low35Very low252 Ų252147.3 Ų147.395%0.95182%0.821SS**  trans-35.4129.9175.9-66.2176.6-179.890.51.4114
87A30.2Very low34.7Very low100 Ų100148.1 Ų148.183%0.82682%0.82SS**  trans-165.5130.3141.400000107.2
88G37.2Very low35Very low78 Ų78148.3 Ų148.380%0.80482%0.821SS**  trans-78.3153.3-175.800000112.9
89E29.2Very low35.4Very low195 Ų195150.8 Ų150.891%0.91182%0.822SS**  trans-162.2139.1143.1-153.315599.400108
90E40.5Very low34.9Very low143 Ų143146.2 Ų146.267%0.66882%0.818SS**  trans-82.7144.1178.8-153.2-95.7144.700108.2D92E90-D92 PolarHBondContact OE1-N 3.18Å
91P40.8Very low35.2Very low109 Ų109151 Ų15171%0.70882%0.821SS**  -152.4124.811432.3-12.2000115.7
92D27.9Very low35.4Very low124 Ų124152.8 Ų152.866%0.66382%0.82SS**  30.598122.1-138.31.5000117.1E90 T94E90-D92 PolarHBondContact OE1-N 3.18Å; D92-T94 PolarHBondContact O-N 2.82Å
93L32.2Very low35.5Very low168 Ų168153.7 Ų153.788%0.8883%0.828SS**  trans-78.298.4169.8-73.1172.5000109.7R95L93-R95 PolarHBondContact O-N 3.05Å
94T30.7Very low34.7Very low124 Ų124150.5 Ų150.576%0.76183%0.826SS**  trans-59121.716630.40000110.5D92 L96D92-T94 PolarHBondContact O-N 2.82Å; T94-L96 PolarHBondContact O-N 3.47Å
95R31.6Very low34.8Very low239 Ų239145.9 Ų145.990%0.90282%0.822SS**  trans-54.1124.8170.1-63168.280.7101-3108.6L93 D97L93-R95 PolarHBondContact O-N 3.05Å; R95-D97 PolarHBondContact O-N 2.92Å; R95-D97 VanDerWaalsContact O-N 3.11Å
96L38.2Very low34.7Very low170 Ų170144.9 Ų144.989%0.8982%0.821SS**  trans-72.7104174.3-71.9168.4000109.5T94T94-L96 PolarHBondContact O-N 3.47Å
97D32.9Very low34.3Very low157 Ų157141.4 Ų141.484%0.8482%0.815SS**  trans-67.2123.7161.9-103.1-30.5000109.2R95R95-D97 PolarHBondContact O-N 2.92Å; R95-D97 VanDerWaalsContact O-N 3.11Å
98L43Very low34.3Very low172 Ų172143.2 Ų143.290%0.90181%0.81SS**  trans-96.592.8166-69.6174.4000108
99N39.8Very low34.2Very low145 Ų145145.6 Ų145.678%0.77581%0.811SS**  trans-149.4106158.3-15214.8000110.4
100A31.3Very low34.3Very low103 Ų103144.7 Ų144.785%0.85181%0.807SS**  trans-157.482.8164.900000109.1
101E37.7Very low33.9Very low173 Ų173147 Ų14781%0.80882%0.818SS**  trans-75.8143.5153.6-78.6-177.5130.400110.3
102S37.8Very low33.3Very low120 Ų120147.8 Ų147.884%0.83982%0.816SS**  trans76.1114.3155.374.20000119.6
103A32.5Very low33.4Very low102 Ų102149 Ų14984%0.84382%0.818SS**  154.4114.3112.400000111.5
104A29.1Very low33.3Very low104 Ų104148.5 Ų148.586%0.8682%0.816SS**  trans-173.4111.9140.100000110.1
105A32.4Very low33.4Very low88 Ų88150.6 Ų150.673%0.72782%0.817SS**  trans-7114716700000110.9
106Q34.8Very low33.4Very low177 Ų177144.2 Ų144.283%0.82781%0.805SS**  165148.7111.3-85.2172.532.700112.1
107H31Very low33.3Very low178 Ų178141.5 Ų141.582%0.82480%0.797SS**  trans90.993.4165.8-86.8-83.8000120.5
108L29.6Very low33.2Very low138 Ų138145.2 Ų145.272%0.72380%0.8SS**  trans-62.6159.8149.1-115.488.6000111.4E110L108-E110 HydrophobicContact CD2-CG 4.25Å
109P35.8Very low32.6Very low128 Ų128144.9 Ų144.983%0.83180%0.799SS**  -127.8156.290.730.3-16.7000114.7
110E31.1Very low32.3Very low177 Ų177147 Ų14783%0.82780%0.804SS**  trans-46.1135.1176-77.5171.873.600114.6L108L108-E110 HydrophobicContact CD2-CG 4.25Å
111Q30.7Very low32.4Very low192 Ų192152.8 Ų152.890%0.89780%0.804SS**  trans-153105.4137.5-161.3161.3-1500111.3
112D29.4Very low32.2Very low125 Ų125149.7 Ų149.767%0.66880%0.801SS**  trans-5.1141.6158.2-134.26.9000122.5
113Q30.6Very low32Very low150 Ų150150.1 Ų150.170%0.70180%0.798SS**  trans64.7108.2152.3-71.4170.173.700120
114D29.8Very low32Very low156 Ų156154.4 Ų154.483%0.83480%0.801SS**  177.314189.3-107-29.9000112.5
115E32.3Very low32.1Very low168 Ų168159 Ų15979%0.78580%0.798SS**  trans-78.7135.8-175.3-67.7-92.3128.700113.2
116T32.5Very low32.1Very low106 Ų106161.4 Ų161.465%0.6580%0.798SS**  trans-158.6119.8140.549.60000111.4
117P36.1Very low32.2Very low113 Ų113157 Ų15773%0.73479%0.786SS**  trans-78.6128.2171.9-14.730.6000112.1
118W29.1Very low32.5Very low235 Ų235152.9 Ų152.989%0.8978%0.778SS**  trans-97105.9171.7-65.597.2000109.9
119D31.6Very low32.8Very low164 Ų164154.2 Ų154.288%0.87779%0.785SS**  trans-65.1131.2172.2-97.5-50.8000112R121D119-R121 PolarHBondContact O-N 2.9Å; D119-R121 VanDerWaalsContact O-N 3.17Å
120E33.7Very low32.9Very low189 Ų189156.4 Ų156.488%0.88379%0.789SS**  trans-72.394.2175.3-170.1171.5105.600110.5S122E120-S122 PolarHBondContact O-N 3.47Å
121R32.3Very low32.9Very low226 Ų226151.3 Ų151.385%0.85378%0.783SS**  trans-8994173.3-169.3176.4-79.1138.3-3.1110.5D119 V123D119-R121 PolarHBondContact O-N 2.9Å; D119-R121 VanDerWaalsContact O-N 3.17Å; R121-V123 HydrophobicContact CG-CG2 4.41Å; R121-V123 PolarHBondContact O-N 3.19Å
122S34.2Very low32.9Very low107 Ų107148 Ų14875%0.74878%0.782SS**  trans-64.8123.7161.949.90000109.9E120E120-S122 PolarHBondContact O-N 3.47Å
123V33.8Very low33Very low129 Ų129146.7 Ų146.778%0.78278%0.782SS**  trans-104.3106.6171.7-175.90000107.9R121R121-V123 HydrophobicContact CG-CG2 4.41Å; R121-V123 PolarHBondContact O-N 3.19Å
124Q32.1Very low33.3Very low192 Ų192145.9 Ų145.990%0.89778%0.779SS**  trans-80.3117.5174.7-158.8169.623.900108.4
125Y30.7Very low33.5Very low202 Ų202147 Ų14779%0.79278%0.779SS**  trans-87.9114.8179.5-178.7-106.7000110S127Y125-S127 WeakPolarHBondContact CE1-OG 3.48Å
126D32.1Very low33.3Very low138 Ų138142.2 Ų142.274%0.73877%0.774SS**  trans-97.1125.2172.6-168.9-3.8000109.5
127S37.8Very low33.2Very low83 Ų83146.9 Ų146.958%0.5879%0.788SS**  trans-113.398175.6-80.20000109.5Y125Y125-S127 WeakPolarHBondContact CE1-OG 3.48Å
128S36.8Very low32.9Very low93 Ų93145.8 Ų145.865%0.6578%0.784SS**  trans-163.9106.3155.337.10000111.3
129L36.7Very low33.2Very low166 Ų166141.7 Ų141.787%0.86978%0.778SS**  trans163.8109.8139.7-92.2161.5000110.2
130L38Very low33.1Very low174 Ų174144.9 Ų144.991%0.91178%0.778SS**  174.9109.3123.9-93.8154.4000109.2
131G30.1Very low32.8Very low69 Ų69139.2 Ų139.271%0.71177%0.77SS**  trans-92.3152.8169.400000111.9
132S31.6Very low33Very low123 Ų123137 Ų13786%0.8677%0.774SS**  trans63.1121.7144.7-146.70000120.3
133S32Very low32.7Very low97 Ų97138 Ų13868%0.67877%0.772SS**  -167.7150120.5-170.60000110.7
134E36.1Very low32.7Very low134 Ų134138 Ų13863%0.62677%0.771SS**  trans-67.3162.2-171.955.1-110.589.900116.3
135E33.4Very low32.8Very low180 Ų180133.1 Ų133.184%0.84176%0.758SS**  104.5143.6119.176.7-160.6118.300110.3
136G28.8Very low33Very low66 Ų66131.4 Ų131.468%0.6876%0.762SS**  cis169.2165.83.600000106.5
137E29.4Very low32.8Very low204 Ų204130.5 Ų130.595%0.95376%0.762SS**  trans75.2147160.2-131.1158.7114.700118.3
138S30Very low32.5Very low91 Ų91134.7 Ų134.764%0.63677%0.772SS**  cis-179.8157.7-21.2-178.10000108.6
139L35.4Very low32.3Very low148 Ų148138.3 Ų138.378%0.77578%0.779SS**  trans88.2129.6144.6-89.9164.6000123.9
140R31.2Very low32.1Very low232 Ų232138.4 Ų138.488%0.87578%0.775SS**  trans93.2117146.9-66.1167.5128.5-125.4-9.5116.8
141G27.2Very low31.7Very low70 Ų70138.2 Ų138.272%0.72277%0.769SS**  cis99.6108.923.200000109.5
142L34.7Very low31.8Very low178 Ų178139.3 Ų139.393%0.93277%0.772SS**  trans-164.2111.6154.4-103.1159.5000109.9
143D29.4Very low31.6Very low130 Ų130141 Ų14170%0.69577%0.766SS**  trans-85.8138.9169.6171.8-97.9000109
144V34Very low31.5Very low127 Ų127144 Ų14477%0.7777%0.769SS**  trans-146.3103.1154.5178.80000108.1
145S33.2Very low31.5Very low90 Ų90148.6 Ų148.663%0.62978%0.781SS**  trans-85.3138.9157.4-67.10000109.7
146L34.4Very low31.3Very low166 Ų166142.9 Ų142.987%0.86977%0.771SS**  trans-146.4135.1149.9-76.3-177.5000110.4
147T29Very low31.5Very low120 Ų120148.9 Ų148.974%0.73678%0.781SS**  trans-84.4171-178.541.30000112.8
148E31.6Very low31.7Very low171 Ų171150.9 Ų150.980%0.79978%0.78SS**  trans140.7106.8151.2-76.5166.3-175.900108.8
149E31.2Very low31.9Very low168 Ų168150 Ų15079%0.78578%0.784SS**  96.5126.163.4-81.4-172.1169.100113.4
150E32.6Very low32.2Very low168 Ų168149 Ų14979%0.78579%0.79SS**  trans68.6155.9153.6-58.5-178.3141.800120.8
151E30.1Very low32.6Very low171 Ų171147 Ų14780%0.79979%0.791SS**  cis-171.5163.7-32.6-98.7-151.5129.300106.3
152A32.1Very low33.1Very low92 Ų92149.5 Ų149.576%0.7680%0.797SS**  trans72.6150.3155.300000120.3
153Q28.7Very low33.1Very low159 Ų159148.7 Ų148.774%0.74379%0.794SS**  cis178.8162.5-15.5173.6147.6-32.400107.7
154Q29.8Very low33.4Very low159 Ų159145.9 Ų145.974%0.74380%0.795SS**  trans79.9140.6157-89.6163.566.300117.7
155R34.3Very low33.4Very low230 Ų230148.1 Ų148.187%0.86880%0.797SS**  cis-177.2153.915.4176.7176.2-167.3-143.93.1111.4
156G30.2Very low33.7Very low61 Ų61150.7 Ų150.763%0.62980%0.803SS**  trans95100.414300000118.1
157E33.4Very low33.7Very low192 Ų192150.3 Ų150.390%0.89780%0.802SS**  66.6113.989.7-74.4-157.3112.400116.6
158R32.7Very low34.3Very low246 Ų246149.5 Ų149.593%0.92881%0.808SS**  173.6125.2114.2-167.1167.5-69.2-138.8-1.3110.6
159G33.6Very low34.7Very low71 Ų71146.3 Ų146.373%0.73280%0.804SS**  trans-81165.2171.100000112.9
160S43.1Very low35.3Very low127 Ų127147.5 Ų147.589%0.88881%0.809SS**  trans-162.5121.4142.9-150.30000108.8
161E38.8Very low35.7Very low192 Ų192142.7 Ų142.790%0.89781%0.805SS**  trans-89.3148.2173-54.9163.2126.500108.2
162S37.5Very low36.7Very low122 Ų122140.1 Ų140.185%0.85380%0.801SS**  trans-161.8122.7154-1680000110.8
163D35.3Very low37.8Very low161 Ų161143 Ų14386%0.86181%0.809SS**  trans-44.3155.8168.4-60.8-56.4000113.2
164G35Very low38.9Very low70 Ų70142 Ų14272%0.72281%0.809SS**  cis127.4120.529.200000106.6
165Q34.4Very low40.1Very low174 Ų174139.1 Ų139.181%0.81381%0.806SS**  trans-163.5126158-170.253.75000110.6
166L39.9Very low41.3Very low144 Ų144137.5 Ų137.575%0.75481%0.805SS**  trans-75.6148175.7-63.6155.5000109.9
167D33.9Very low42.7Very low159 Ų159144.6 Ų144.685%0.8581%0.813SS**  -172.4128.9114.5-86.1-30000111.4
168A41.8Very low43.6Very low103 Ų103145 Ų14585%0.85181%0.812SS**  trans-103129.5175.500000108.5
169S40Very low44.8Very low104 Ų104136.7 Ų136.773%0.72780%0.803SS**  trans-156.1132.5143.5-153.60000112.6
170E44.2Very low46.4Very low192 Ų192136.6 Ų136.690%0.89780%0.801SS**  trans66.8100151.9-73.9174.2167.600119.7
171G40.8Very low47.1Very low68 Ų68140.2 Ų140.270%0.70180%0.802SS**  trans-167.580.7167.900000112.8
172V50.8Low48Very low117 Ų117139.6 Ų139.671%0.70980%0.799SS**  trans78105.3151.9-166.30000116.5L174V172-L174 HydrophobicContact CG1-CB 4.03Å; V172-L174 HydrophobicContact CG1-CD1 4.06Å; V172-L174 HydrophobicContact CG1-CG 3.74Å; V172-L174 PolarHBondContact O-N 2.86Å
173T54.8Low49Very low151 Ų151144.2 Ų144.293%0.92680%0.797SS**  trans-59.573.1153.742.20000110.6S175T173-S175 PolarHBondContact O-N 2.89Å
174L51.7Low50.1Low140 Ų140139.3 Ų139.373%0.73379%0.785SS**  trans-84.7108.4173.2-115.6166.9000108.7V172 K176V172-L174 HydrophobicContact CG1-CB 4.03Å; V172-L174 HydrophobicContact CG1-CD1 4.06Å; V172-L174 HydrophobicContact CG1-CG 3.74Å; V172-L174 PolarHBondContact O-N 2.86Å; L174-K176 PolarHBondContact O-N 3.1Å
175S55Low51.4Low97 Ų97147.9 Ų147.968%0.67880%0.795SS**  trans-54.8100.4175.752.70000110.9T173 R177T173-S175 PolarHBondContact O-N 2.89Å; S175-R177 PolarHBondContact O-N 2.85Å
176K60.5Low52.5Low197 Ų197148.5 Ų148.586%0.85780%0.798SS**  trans-66.893.6168.3-85.4173.4174.3164.30109.1L174L174-K176 PolarHBondContact O-N 3.1Å
177R60.3Low53.5Low209 Ų209144 Ų14479%0.78979%0.786SS**  trans-105.1109.7161-74.4-173-178.5-1031.2108.6S175S175-R177 PolarHBondContact O-N 2.85Å
178F50.5Low54.5Low202 Ų202144.8 Ų144.889%0.88678%0.778SS**SBendtrans67.3130.2161.8-68.2-88.9000120
179G58.1Low55Low71 Ų71150.1 Ų150.173%0.73278%0.777SS**  trans95.166.7156.500000115.3F181G179-F181 PolarHBondContact O-N 3.33Å
180G67.9Low55.8Low68 Ų68154 Ų15470%0.70178%0.78SS**  trans-63.5117.7171.200000112.5
181F56.8Low56.3Low204 Ų204152.5 Ų152.590%0.89578%0.777SS**  trans-128.397.1139.3-70.4-76.9000107G179 R183G179-F181 PolarHBondContact O-N 3.33Å; F181-R183 VanDerWaalsContact C-N 3.32Å; F181-R183 PolarHBondContact O-N 3.44Å
182Q57.9Low56.9Low179 Ų179156.1 Ų156.184%0.83678%0.779SS**  trans-65.596.5169.9-67.3-99.193.400106.9G184Q182-G184 VanDerWaalsContact C-N 3.28Å; Q182-G184 PolarHBondContact O-N 2.91Å
183R58.5Low57Low218 Ų218155.9 Ų155.982%0.82378%0.783SS**  trans-71.989.9174.5-161.6170.3166.6144.4-4.3107.4F181F181-R183 VanDerWaalsContact C-N 3.32Å; F181-R183 PolarHBondContact O-N 3.44Å
184G59.4Low57.1Low58 Ų58152.4 Ų152.460%0.59877%0.765SS**  trans-55.6139.1179.800000111.8Q182 H186Q182-G184 VanDerWaalsContact C-N 3.28Å; Q182-G184 PolarHBondContact O-N 2.91Å; G184-H186 PolarHBondContact O-N 3.36Å
185R61.4Low57Low250 Ų250150.9 Ų150.994%0.94376%0.763SS**SBendtrans-6841.1176.4-95.2-175.5174.3-105.94113.4
186H58.5Low57.2Low187 Ų187153.2 Ų153.287%0.86677%0.773SS**  trans-140.3105.4173.8-88.2157.8000112.5G184G184-H186 PolarHBondContact O-N 3.36Å
187G59.8Low57.2Low49 Ų49154.6 Ų154.651%0.50577%0.773SS.*  93.837.311400000120.5R189 K190G187-R189 PolarHBondContact O-N 2.64Å; G187-K190 PolarHBondContact O-N 2.84Å
188Y54.9Low57Low176 Ų176148 Ų14869%0.6977%0.77SS**G310 helixtrans-63.2-2.9165.730.4-91.1000114.2
189R54.1Low57.5Low216 Ų216146 Ų14682%0.81577%0.768SS**G310 helixtrans-83.3-11.1178.9-148.1-178.3-172.6-167.32.6114.6G187G187-R189 PolarHBondContact O-N 2.64Å
190K54.9Low57.8Low186 Ų186150.5 Ų150.581%0.80977%0.77SS**G310 helixtrans-92-5.5-178.5-72.5-168.1178.7-178.20115.2G187G187-K190 PolarHBondContact O-N 2.84Å
191L55Low57.9Low159 Ų159155 Ų15583%0.83277%0.77SS**SBendtrans-95.8-8.4176.2-60.8179000113.7
192I54.2Low58Low145 Ų145156.1 Ų156.174%0.74477%0.768SS**SBendtrans-98.1-12.5-177.1-62.2164.9000112.2
193S52.1Low57.9Low111 Ų111158.2 Ų158.278%0.77677%0.77SS**SBendtrans-108.816-177.4-72.10000115.3
194S57Low58.2Low79 Ų79151.3 Ų151.355%0.55277%0.767SS**SBendtrans-95.8129.6169.1-170.60000108.9V196S194-V196 PolarHBondContact O-N 3.17Å; S194-V196 VanDerWaalsContact O-N 3.14Å
195P51.2Low58.3Low108 Ų108151.6 Ų151.670%0.70177%0.77SS**  trans-62.8121.4-179.526.6-32.1000109.1R197P195-R197 PolarHBondContact O-N 3.29Å
196V57.9Low58.2Low145 Ų145149.3 Ų149.388%0.87977%0.767SS**  trans4.683.8162.2-1750000113.7S194S194-V196 PolarHBondContact O-N 3.17Å; S194-V196 VanDerWaalsContact O-N 3.14Å
197R60.6Low58Low226 Ų226148.4 Ų148.485%0.85377%0.767SS**  trans-96.8118.2155-69.6-167.8-1651724107P195 L199P195-R197 PolarHBondContact O-N 3.29Å; R197-L199 PolarHBondContact O-N 3.39Å; R197-L199 VanDerWaalsContact O-N 3.11Å
198G56.3Low57.9Low72 Ų72148.4 Ų148.474%0.74277%0.767SS**  trans-50.3117.2-178.800000110.7Q200G198-Q200 PolarHBondContact O-N 2.92Å
199L60.4Low57.8Low159 Ų159146.2 Ų146.283%0.83277%0.771SS**  trans-69.493.4-179.2-170.973000108.7R197 K201R197-L199 PolarHBondContact O-N 3.39Å; R197-L199 VanDerWaalsContact O-N 3.11Å; L199-K201 PolarHBondContact O-N 2.8Å
200Q64.4Low58.1Low166 Ų166147.2 Ų147.278%0.77678%0.775SS**  trans-66.2100.9177.4-169.5172.315.300109.1G198 R202G198-Q200 PolarHBondContact O-N 2.92Å; Q200-R202 PolarHBondContact O-N 3.4Å
201K70.1Confident58Low163 Ų163147.8 Ų147.871%0.70978%0.778SS**  trans-62.9106.5171.9-63.1-132.4-169.1-176.70107.7L199 Y203L199-K201 PolarHBondContact O-N 2.8Å; K201-Y203 VanDerWaalsContact C-N 3.31Å; K201-Y203 HydrophobicContact CB-CD2 4.46Å; K201-Y203 HydrophobicContact CB-CE2 4.32Å; K201-Y203 PolarHBondContact O-N 2.91Å
202R59.8Low58Low226 Ų226144 Ų14485%0.85376%0.764SS**  trans-6995.9164.6-67.3-177.6-177.7-101.7-0.3106.9Q200 G204Q200-R202 PolarHBondContact O-N 3.4Å; R202-G204 PolarHBondContact O-N 3.48Å
203Y56Low58Low224 Ų224142 Ų14288%0.87877%0.77SS**  trans-62112.7161.6-76.7-95000107.1K201K201-Y203 VanDerWaalsContact C-N 3.31Å; K201-Y203 HydrophobicContact CB-CD2 4.46Å; K201-Y203 HydrophobicContact CB-CE2 4.32Å; K201-Y203 PolarHBondContact O-N 2.91Å
204G64.8Low58.5Low72 Ų72146.9 Ų146.974%0.74277%0.771SS**  trans144.869.5179.600000111.5R202R202-G204 PolarHBondContact O-N 3.48Å
205G62.1Low58.6Low65 Ų65151.1 Ų151.167%0.6778%0.782SS**  trans-163.753.7-179.300000111.4I207G205-I207 PolarHBondContact O-N 3.43Å
206F59.1Low58.7Low201 Ų201158.2 Ų158.288%0.88280%0.795SS**  trans30.584.5149-72.4-98.4000114.1G208F206-G208 PolarHBondContact O-N 3.35Å
207I54Low58.7Low169 Ų169156.9 Ų156.987%0.86778%0.783SS**  trans-58.492.1143.5-66.6171000103.8G205 V209G205-I207 PolarHBondContact O-N 3.43Å; I207-V209 PolarHBondContact O-N 2.84Å
208G56.3Low58.4Low48 Ų48149.3 Ų149.350%0.49577%0.765SS.*  trans-53.3116.6-179.600000106.6F206 R210F206-G208 PolarHBondContact O-N 3.35Å; G208-R210 PolarHBondContact O-N 3.29Å
209V54.6Low58.6Low131 Ų131150.2 Ų150.279%0.79476%0.757SS**  trans-54.989.8169.8177.50000106.4I207 K211I207-V209 PolarHBondContact O-N 2.84Å; V209-K211 PolarHBondContact O-N 3.26Å
210R58.5Low58.4Low237 Ų237150.7 Ų150.789%0.89475%0.753SS**  trans-72.792.3166.5-73.8-165.1-177.9-124.72105.3G208 S212G208-R210 PolarHBondContact O-N 3.29Å; R210-S212 PolarHBondContact O-N 3.49Å
211K54.6Low58Low197 Ų197149.9 Ų149.986%0.85774%0.743SS**  trans-39.490.3157.3-70.9173.8173.61790109.8V209V209-K211 PolarHBondContact O-N 3.26Å
212S54.7Low57.2Low79 Ų79148 Ų14855%0.55274%0.738SS**  trans-16067.1138.2600000106.5R210 R214R210-S212 PolarHBondContact O-N 3.49Å; S212-R214 PolarHBondContact O-N 3.36Å
213A54.2Low57.2Low104 Ų104141.8 Ų141.886%0.8672%0.722SS**  trans-56.786.1145.900000105.3Q215A213-Q215 VanDerWaalsContact C-N 3.32Å; A213-Q215 PolarHBondContact O-N 3.01Å
214R62.1Low57.5Low213 Ų213135.5 Ų135.580%0.80471%0.706SS**  trans-59.9107.6170.2-73.1-179.9-174.5-96.50.7103.5S212 W216S212-R214 PolarHBondContact O-N 3.36Å; R214-W216 VanDerWaalsContact C-N 3.3Å; R214-W216 PolarHBondContact O-N 2.97Å
215Q58.3Low57.3Low169 Ų169136.3 Ų136.379%0.7969%0.694SS**  trans-48.597176.7-174.2167.32.200108.2A213 N217A213-Q215 VanDerWaalsContact C-N 3.32Å; A213-Q215 PolarHBondContact O-N 3.01Å; Q215-N217 PolarHBondContact O-N 3.04Å
216W54.2Low57.4Low257 Ų257137.7 Ų137.797%0.97368%0.683SS**SBendtrans-78.231.5-177.1-151.4-2.8000110.8R214R214-W216 VanDerWaalsContact C-N 3.3Å; R214-W216 PolarHBondContact O-N 2.97Å
217N58.1Low57.5Low117 Ų117134.9 Ų134.963%0.62667%0.673SS**  trans-130.268.5173.2-164.81.5000107.6Q215 P219Q215-N217 PolarHBondContact O-N 3.04Å; N217-P219 WeakPolarHBondContact O-CD 3.48Å
218S54.1Low57.8Low67 Ų67131.1 Ų131.147%0.46965%0.654SS.*  trans-90113.4161.562.90000107.2K220 W221S218-K220 PolarHBondContact O-N 3.26Å; S218-W221 PolarHBondContact O-NE1 2.77Å
219P60.4Low58Low90 Ų90137.3 Ų137.358%0.58466%0.662SS**THydrogen-bonded Turntrans-68.65.4-17723.8-32.6000114.3N217N217-P219 WeakPolarHBondContact O-CD 3.48Å
220K56.9Low58.3Low170 Ų170138.8 Ų138.874%0.73966%0.655SS**Hα-helixtrans-77.5-26-173.2-66.7179.8178.9165.10113.5S218S218-K220 PolarHBondContact O-N 3.26Å
221W54.3Low58.3Low149 Ų149137 Ų13756%0.56465%0.648SS**Hα-helixtrans-75.2-26.2176.270.1-90000112.6S218 N223S218-W221 PolarHBondContact O-NE1 2.77Å; W221-N223 VanDerWaalsContact C-N 3.33Å; W221-N223 PolarHBondContact O-N 2.9Å
222M54Low58.5Low122 Ų122131.5 Ų131.560%0.60163%0.634SS**Hα-helixtrans-69.6-28.5178.3-118.1176.5-165.400112.9Q226M222-Q226 WeakPolarHBondContact O-CB 3.37Å; M222-Q226 PolarHBondContact O-N 2.74Å
223N59.3Low58.6Low97 Ų97131.9 Ų131.952%0.51964%0.637SS.*Hα-helixtrans-78.2-31.8179.4-84.8-18.5000114W221 Q226 Q227W221-N223 VanDerWaalsContact C-N 3.33Å; W221-N223 PolarHBondContact O-N 2.9Å; N223-Q226 PolarHBondContact O-N 2.79Å; N223-Q227 WeakPolarHBondContact O-CG 3.28Å; N223-Q227 PolarHBondContact O-N 2.97Å
224V63Low58.7Low91 Ų91131.8 Ų131.855%0.55263%0.63SS**Hα-helixtrans-70.4-43.5178.8176.50000110.6Q226 Q227 L228V224-Q226 VanDerWaalsContact C-N 3.3Å; V224-Q226 PolarHBondContact O-N 2.99Å; V224-Q227 PolarHBondContact O-N 3.21Å; V224-L228 HydrophobicContact CG1-CD1 4.03Å; V224-L228 WeakPolarHBondContact O-CG 3.24Å; V224-L228 PolarHBondContact O-N 2.96Å
225N61.4Low58.3Low90 Ų90132.7 Ų132.748%0.48163%0.634SS.*Hα-helixtrans-70-26.2176.6-104-29.4000113.1R229N225-R229 WeakPolarHBondContact O-CG 3.21Å; N225-R229 PolarHBondContact O-N 2.92Å
226Q62.5Low58Low94 Ų94129.1 Ų129.144%0.43963%0.627SS.*Hα-helixtrans-74.4-43.1172.4-169173.884.500111.5M222 N223 V224 L228 R229 Y230M222-Q226 WeakPolarHBondContact O-CB 3.37Å; M222-Q226 PolarHBondContact O-N 2.74Å; N223-Q226 PolarHBondContact O-N 2.79Å; V224-Q226 VanDerWaalsContact C-N 3.3Å; V224-Q226 PolarHBondContact O-N 2.99Å; Q226-L228 PolarHBondContact O-N 2.89Å; Q226-R229 PolarHBondContact O-N 2.69Å; Q226-Y230 HydrophobicContact CG-CD2 3.91Å; Q226-Y230 HydrophobicContact CG-CE2 3.65Å; Q226-Y230 WeakPolarHBondContact O-CD2 3.33Å; Q226-Y230 PolarHBondContact O-N 2.74Å
227Q61.2Low57.7Low142 Ų142119.9 Ų119.966%0.66461%0.611SS**Hα-helixtrans-64.6-37.8175.7-75.5-167.435.400113.1N223 V224 Y230 R231N223-Q227 WeakPolarHBondContact O-CG 3.28Å; N223-Q227 PolarHBondContact O-N 2.97Å; V224-Q227 PolarHBondContact O-N 3.21Å; Q227-Y230 PolarHBondContact O-N 3.25Å; Q227-R231 WeakPolarHBondContact O-CB 3.35Å; Q227-R231 PolarHBondContact O-N 3.39Å
228L61.6Low57.2Low90 Ų90125.8 Ų125.847%0.47163%0.625SS.*Hα-helixtrans-64.1-40.1174-73.6166.7000111.5V224 Q226 R231 S232V224-L228 HydrophobicContact CG1-CD1 4.03Å; V224-L228 WeakPolarHBondContact O-CG 3.24Å; V224-L228 PolarHBondContact O-N 2.96Å; Q226-L228 PolarHBondContact O-N 2.89Å; L228-R231 PolarHBondContact O-N 3.11Å; L228-S232 WeakPolarHBondContact O-CB 3.21Å; L228-S232 PolarHBondContact O-N 2.9Å; L228-S232 PolarHBondContact O-OG 3.14Å
229R61.1Low57Low177 Ų177129 Ų12967%0.66864%0.644SS**Hα-helixtrans-64.2-41174.2-79.5-168.4-79.4158-10.8113N225 Q226 S233N225-R229 WeakPolarHBondContact O-CG 3.21Å; N225-R229 PolarHBondContact O-N 2.92Å; Q226-R229 PolarHBondContact O-N 2.69Å; R229-S233 WeakPolarHBondContact O-CB 3.43Å; R229-S233 PolarHBondContact O-N 3.25Å
230Y60Low56Low163 Ų163127.7 Ų127.764%0.63965%0.647SS**Hα-helixtrans-66-41.5174.6-80.9-71.1000112.5Q226 Q227 S233 S234Q226-Y230 HydrophobicContact CG-CD2 3.91Å; Q226-Y230 HydrophobicContact CG-CE2 3.65Å; Q226-Y230 WeakPolarHBondContact O-CD2 3.33Å; Q226-Y230 PolarHBondContact O-N 2.74Å; Q227-Y230 PolarHBondContact O-N 3.25Å; Y230-S233 PolarHBondContact O-N 2.97Å; Y230-S234 PolarHBondContact O-N 3.02Å; Y230-S234 VanDerWaalsContact O-N 3.14Å; Y230-S234 PolarHBondContact O-OG 2.92Å; Y230-S234 VanDerWaalsContact O-OG 3.05Å
231R59.3Low55.4Low198 Ų198126.8 Ų126.875%0.74766%0.655SS**Hα-helixtrans-68-34.4177.5-108.8177144.3-161-4.3113.6Q227 L228Q227-R231 WeakPolarHBondContact O-CB 3.35Å; Q227-R231 PolarHBondContact O-N 3.39Å; L228-R231 PolarHBondContact O-N 3.11Å
232S57Low54.9Low82 Ų82123.7 Ų123.757%0.57367%0.67SS**Hα-helixtrans-74.2-33.9176.6-60.70000112.2L228 R235L228-S232 WeakPolarHBondContact O-CB 3.21Å; L228-S232 PolarHBondContact O-N 2.9Å; L228-S232 PolarHBondContact O-OG 3.14Å; S232-R235 PolarHBondContact O-N 2.97Å
233S57.9Low54.1Low87 Ų87121.7 Ų121.761%0.60868%0.68SS**Hα-helixtrans-70.4-32.2175.1-136.20000112.7R229 Y230 R235 S236R229-S233 WeakPolarHBondContact O-CB 3.43Å; R229-S233 PolarHBondContact O-N 3.25Å; Y230-S233 PolarHBondContact O-N 2.97Å; S233-R235 VanDerWaalsContact C-N 3.27Å; S233-R235 PolarHBondContact O-N 3.43Å; S233-S236 PolarHBondContact O-OG 2.83Å
234S55.4Low53.4Low103 Ų103124.7 Ų124.772%0.7270%0.696SS**THydrogen-bonded Turntrans-75.8-11.2175.7-54.10000114.1Y230Y230-S234 PolarHBondContact O-N 3.02Å; Y230-S234 VanDerWaalsContact O-N 3.14Å; Y230-S234 PolarHBondContact O-OG 2.92Å; Y230-S234 VanDerWaalsContact O-OG 3.05Å
235R54.4Low52.8Low232 Ų232126.1 Ų126.188%0.87571%0.707SS**THydrogen-bonded Turntrans-94.7-9.4178.8-105.6-176.9-174.3-149.30.6114.3S232 S233S232-R235 PolarHBondContact O-N 2.97Å; S233-R235 VanDerWaalsContact C-N 3.27Å; S233-R235 PolarHBondContact O-N 3.43Å
236S52.3Low52.2Low94 Ų94127.6 Ų127.666%0.65772%0.72SS**SBendtrans-927.317559.80000114S233 R238S233-S236 PolarHBondContact O-OG 2.83Å; S236-R238 PolarHBondContact O-N 2.91Å; S236-R238 VanDerWaalsContact O-N 3.1Å
237G47Very low51.5Low62 Ų62130.9 Ų130.964%0.63974%0.74SS**  trans-74.593.417200000112.3
238R48.8Very low50.9Low242 Ų242135 Ų13591%0.91375%0.749SS**  trans-58.5130.2155.6-90.8-179.6166.8-161.2-2.3108.9S236 G240S236-R238 PolarHBondContact O-N 2.91Å; S236-R238 VanDerWaalsContact O-N 3.1Å; R238-G240 PolarHBondContact O-N 2.92Å
239P48.8Very low50Low135 Ų135142.1 Ų142.188%0.87777%0.77SS**  trans-81115.8166.828.4-22000108.5
240G41Very low49.2Very low61 Ų61145.5 Ų145.563%0.62978%0.783SS**  trans-167.788.2-179.600000113.2R238R238-G240 PolarHBondContact O-N 2.92Å
241T43.9Very low48.5Very low151 Ų151149.3 Ų149.393%0.92680%0.796SS**  trans76.4106.3139.4-29.30000119.3
242G43.6Very low47.9Very low85 Ų85148.5 Ų148.588%0.87680%0.801SS**  trans99.9102.3133.800000118.1
243G35.8Very low47.2Very low79 Ų79150.4 Ų150.481%0.81481%0.814SS**  trans167.894.7161.600000113.4
244L44.8Very low46.6Very low160 Ų160155.3 Ų155.384%0.83882%0.824SS**  trans-52.9151.4175.3-78.5150.3000113.4T246L244-T246 PolarHBondContact O-N 2.92Å
245P50.3Low46Very low122 Ų122162.3 Ų162.379%0.79285%0.852SS**  trans-79.3113.5178.332.2-29.6000109.7
246T48.7Very low45.5Very low121 Ų121158.8 Ų158.874%0.74285%0.851SS**  trans-92107.7170.2600000110.2L244 R248L244-T246 PolarHBondContact O-N 2.92Å; T246-R248 PolarHBondContact O-N 2.8Å
247N49.3Very low45.2Very low162 Ų162162.2 Ų162.287%0.86686%0.862SS**  trans-49.4123.4160.9-104.8-47.8000111.4
248R48.6Very low45.1Very low228 Ų228167.8 Ų167.886%0.8687%0.874SS**  trans-148.992.4151.1-65.7-168.1-152.3-134.72.6108.7T246T246-R248 PolarHBondContact O-N 2.8Å
249R41.6Very low44.9Very low240 Ų240163.4 Ų163.491%0.90687%0.872SS**  60.8104.986.7-136.6-177.1-158.5-1514.8112.9
250W45.3Very low44.6Very low249 Ų249165.2 Ų165.294%0.94387%0.871SS**  trans-40.5132.1167.5-70.580.7000112.9
251R43.9Very low44.9Very low243 Ų243172.1 Ų172.192%0.91789%0.887SS**  trans-122.3114.6155.5-84.2-166.6-174.9-94.83.7109.3
252Q48Very low44.9Very low180 Ų180173.6 Ų173.684%0.84189%0.885SS**  trans-57.8142.8159.2-65.2179.4-10.600109.5
253S42.4Very low45Very low122 Ų122180.5 Ų180.585%0.85389%0.885SS**  trans-118.4123.5154.942.70000107.8
254K45.7Very low45.8Very low190 Ų190188.9 Ų188.983%0.82689%0.891SS**  trans-74.8143.4170.1-73.3177.3172.8-178.50109
255L41Very low45.9Very low250 Ų250191.5 Ų191.5100%1.30990%0.896SS**  trans-119.70136.5-84.1165.6000106.6

Retrieved 255 of 255 residues in 209.3 ms (Link to these results)