A0A087WSN1_MOUSE Loading...

Shisa like 1

AlphaFold DB , UniProt , Accession A0A087WSN1, Species MOUSE (Mus musculus, Mouse), Gene Shisal1, Length 219 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
1M38.1Very low39.5Very low240 Ų240151.2 Ų151.2100%1.18281%0.805SS**  0103.80-68.3166.2176.400104.7
2E37.1Very low39.7Very low184 Ų184146.2 Ų146.286%0.8679%0.791SS**  cis-142.1127.820-68.7160.793.300105.2
3A34.5Very low39.8Very low83 Ų83141.3 Ų141.369%0.68678%0.783SS**  58.9108.156.600000113.8
4F40.8Very low39.7Very low199 Ų199135.2 Ų135.287%0.87377%0.768SS**  trans66.5103.2145.1-79-101.8000119
5S37.5Very low39.7Very low111 Ų111138.7 Ų138.778%0.77676%0.764SS**  162.988.2118.2-79.40000111.2
6Q42.3Very low40.1Very low201 Ų201135.4 Ų135.494%0.93975%0.749SS**  trans-151.941.1148.6-83-138.135.500110.9
7L45.7Very low40.5Very low158 Ų158133.8 Ų133.883%0.82774%0.739SS**  trans-85147.7147.7-86.5160.4000107
8I43.7Very low40.6Very low133 Ų133129.3 Ų129.368%0.68272%0.722SS**  trans93.995.7171.4-47.8157.2000113.3
9F35.6Very low40.8Very low183 Ų183126.1 Ų126.180%0.80371%0.709SS**  -176.477.9115.6-89.1-66000110.6G11F9-G11 PolarHBondContact O-N 3.18Å
10P38.5Very low40.8Very low140 Ų140129.1 Ų129.191%0.90971%0.709SS**THydrogen-bonded Turntrans-7962.7159.435.8-30.1000108
11G40.3Very low40.9Very low31 Ų31127 Ų12732%0.3270%0.695SS.*THydrogen-bonded Turntrans-129.2-9.7-168.800000115.7F9F9-G11 PolarHBondContact O-N 3.18Å
12S42.4Very low40.7Very low91 Ų91122.8 Ų122.864%0.63667%0.674SS**Hα-helixtrans-86.6-33.3-168.9-154.50000113.5V16S12-V16 VanDerWaalsContact O-CG2 3.24Å; S12-V16 WeakPolarHBondContact O-CG2 3.42Å; S12-V16 PolarHBondContact O-N 3.47Å
13A40.9Very low41.1Very low83 Ų83118.3 Ų118.369%0.68666%0.66SS**Hα-helixtrans-72.5-36.8-174.900000114N17A13-N17 PolarHBondContact O-N 2.95Å
14G37.9Very low41.6Very low56 Ų56118.1 Ų118.158%0.57765%0.653SS**Hα-helixtrans-75.6-36.8179.700000113.5A18G14-A18 PolarHBondContact O-N 3.41Å; G14-A18 VanDerWaalsContact O-N 3.15Å
15R40.4Very low41.7Very low187 Ų187113.1 Ų113.171%0.70664%0.642SS**Hα-helixtrans-70.5-37.9-180-169.2176.3-80.2160.6-6111.8S19R15-S19 PolarHBondContact O-N 3.31Å; R15-S19 PolarHBondContact O-OG 3.24Å
16V46Very low42.2Very low86 Ų86109.3 Ų109.352%0.52162%0.62SS.*Hα-helixtrans-68.4-38.1177175.80000111.7S12 R20S12-V16 VanDerWaalsContact O-CG2 3.24Å; S12-V16 WeakPolarHBondContact O-CG2 3.42Å; S12-V16 PolarHBondContact O-N 3.47Å; V16-R20 WeakPolarHBondContact O-CB 3.38Å; V16-R20 PolarHBondContact O-N 2.88Å; V16-R20 VanDerWaalsContact O-N 3.09Å
17N45.9Very low42.6Very low109 Ų109104.8 Ų104.858%0.58360%0.599SS**Hα-helixtrans-70.9-39.4178.4-99.2-10.2000113.3A13 R20 M21A13-N17 PolarHBondContact O-N 2.95Å; N17-R20 PolarHBondContact O-N 3.32Å; N17-M21 VanDerWaalsContact O-CB 3.31Å; N17-M21 WeakPolarHBondContact O-CB 3.42Å; N17-M21 PolarHBondContact O-N 3.06Å
18A43.4Very low42.7Very low52 Ų52104.6 Ų104.643%0.4359%0.587SS.*Hα-helixtrans-64.4-43.3175.800000111.9G14 R20 M21 M22G14-A18 PolarHBondContact O-N 3.41Å; G14-A18 VanDerWaalsContact O-N 3.15Å; A18-R20 VanDerWaalsContact C-N 3.34Å; A18-R20 PolarHBondContact O-N 3.09Å; A18-M21 PolarHBondContact O-N 3.49Å; A18-M22 WeakPolarHBondContact O-CG 3.26Å; A18-M22 PolarHBondContact O-N 3.05Å
19S43.1Very low43.4Very low68 Ų68101.6 Ų101.648%0.47658%0.578SS.*Hα-helixtrans-64.2-36.4176.4-56.50000112.8R15 M21 T23R15-S19 PolarHBondContact O-N 3.31Å; R15-S19 PolarHBondContact O-OG 3.24Å; S19-M21 VanDerWaalsContact C-N 3.32Å; S19-T23 WeakPolarHBondContact O-CG2 3.49Å; S19-T23 PolarHBondContact O-N 3.09Å; S19-T23 PolarHBondContact O-OG1 2.73Å
20R42.7Very low44.3Very low186 Ų186101.4 Ų101.470%0.70257%0.572SS**Hα-helixtrans-71.8-27.5176.9-144.6177.5-150.5-1785.5112.8V16 N17 A18 T23 S24V16-R20 WeakPolarHBondContact O-CB 3.38Å; V16-R20 PolarHBondContact O-N 2.88Å; V16-R20 VanDerWaalsContact O-N 3.09Å; N17-R20 PolarHBondContact O-N 3.32Å; A18-R20 VanDerWaalsContact C-N 3.34Å; A18-R20 PolarHBondContact O-N 3.09Å; R20-T23 VanDerWaalsContact C-OG1 3.29Å; R20-T23 WeakPolarHBondContact CA-OG1 3.27Å; R20-T23 PolarHBondContact O-OG1 3.38Å; R20-S24 PolarHBondContact O-N 3.43Å
21M41.1Very low45.4Very low85 Ų8598.8 Ų98.842%0.41955%0.551SS.*Hα-helixtrans-85.5-38.2-178.9-163.1169.214600112.4N17 A18 S19 T23 S24 C25 W161N17-M21 VanDerWaalsContact O-CB 3.31Å; N17-M21 WeakPolarHBondContact O-CB 3.42Å; N17-M21 PolarHBondContact O-N 3.06Å; A18-M21 PolarHBondContact O-N 3.49Å; S19-M21 VanDerWaalsContact C-N 3.32Å; M21-T23 VanDerWaalsContact C-N 3.32Å; M21-T23 PolarHBondContact O-N 2.94Å; M21-S24 PolarHBondContact O-N 3.22Å; M21-C25 PolarHBondContact O-N 3.35Å; M21-C25 VanDerWaalsContact O-N 3.14Å; M21-W161 HydrophobicContact CE-CD2 4.13Å; M21-W161 VanDerWaalsContact CE-CE2 3.44Å; M21-W161 HydrophobicContact CE-CE3 4.3Å; M21-W161 HydrophobicContact CE-CH2 3.25Å; M21-W161 HydrophobicContact CE-CZ2 3Å; M21-W161 HydrophobicContact CE-CZ3 3.89Å; M21-W161 HydrophobicContact SD-CH2 4.19Å; M21-W161 HydrophobicContact SD-CZ2 3.35Å; M21-W161 WeakPolarHBondContact SD-CZ2 3.02Å
22M35.3Very low46.4Very low153 Ų153100.9 Ų100.975%0.75456%0.557SS**Hα-helixtrans-64.7-35.7172.1-72.9179.175.100112.1A18 G26A18-M22 WeakPolarHBondContact O-CG 3.26Å; A18-M22 PolarHBondContact O-N 3.05Å; M22-G26 PolarHBondContact O-N 2.99Å
23T44.5Very low47.2Very low89 Ų8999.6 Ų99.655%0.54654%0.543SS..Hα-helixtrans-70.6-37.9174.943.40000112.4S19 R20 M21 Q27S19-T23 WeakPolarHBondContact O-CG2 3.49Å; S19-T23 PolarHBondContact O-N 3.09Å; S19-T23 PolarHBondContact O-OG1 2.73Å; R20-T23 VanDerWaalsContact C-OG1 3.29Å; R20-T23 WeakPolarHBondContact CA-OG1 3.27Å; R20-T23 PolarHBondContact O-OG1 3.38Å; M21-T23 VanDerWaalsContact C-N 3.32Å; M21-T23 PolarHBondContact O-N 2.94Å; T23-Q27 VanDerWaalsContact O-CB 3.24Å; T23-Q27 WeakPolarHBondContact O-CB 3.26Å; T23-Q27 PolarHBondContact O-N 3.22Å
24S45.1Very low48.3Very low80 Ų8097.8 Ų97.856%0.55953%0.528SS*.Hα-helixtrans-70.1-37.6178.7-175.80000113.8R20 M21 R28R20-S24 PolarHBondContact O-N 3.43Å; M21-S24 PolarHBondContact O-N 3.22Å; S24-R28 PolarHBondContact O-N 3.2Å
25C42.8Very low49.5Very low93 Ų9399 Ų9963%0.62852%0.524SS*.Hα-helixtrans-68.8-42.7174.4-96.90000111.5M21 R28 S29M21-C25 PolarHBondContact O-N 3.35Å; M21-C25 VanDerWaalsContact O-N 3.14Å; C25-R28 PolarHBondContact O-N 3.1Å; C25-S29 PolarHBondContact O-N 3.09Å; C25-S29 VanDerWaalsContact O-N 3.1Å; C25-S29 PolarHBondContact O-OG 3.47Å
26G48.6Very low50.5Low31 Ų3195.4 Ų95.432%0.3251%0.513SS..Hα-helixtrans-66.7-34.1176.600000113.6M22 S29 R30M22-G26 PolarHBondContact O-N 2.99Å; G26-S29 PolarHBondContact O-OG 2.88Å; G26-R30 WeakPolarHBondContact O-CB 3.21Å; G26-R30 WeakPolarHBondContact O-CG 3.32Å; G26-R30 PolarHBondContact O-N 3.33Å
27Q50.7Low51.3Low106 Ų10693.2 Ų93.250%0.49550%0.502SS..Hα-helixtrans-70.2-40.2176.9-163.772.312.200111.6T23 R30 N31T23-Q27 VanDerWaalsContact O-CB 3.24Å; T23-Q27 WeakPolarHBondContact O-CB 3.26Å; T23-Q27 PolarHBondContact O-N 3.22Å; Q27-R30 PolarHBondContact O-N 3.38Å; Q27-N31 WeakPolarHBondContact O-CB 3.19Å; Q27-N31 PolarHBondContact O-N 3.39Å; Q27-N31 PolarHBondContact O-ND2 3.48Å; Q27-N31 VanDerWaalsContact O-ND2 3.16Å
28R48.4Very low52Low154 Ų15494 Ų9458%0.58151%0.505SS*.Hα-helixtrans-72.1-40.1-179.8-167.1176.9-178.4-171.9-0112.1S24 C25 N31 V32S24-R28 PolarHBondContact O-N 3.2Å; C25-R28 PolarHBondContact O-N 3.1Å; R28-N31 PolarHBondContact O-N 3.01Å; R28-V32 WeakPolarHBondContact O-CG2 3.27Å; R28-V32 PolarHBondContact O-N 2.87Å
29S56.8Low52.6Low71 Ų7196.1 Ų96.150%0.49751%0.509SS..Hα-helixtrans-66.5-40.217366.90000111.6C25 G26 N31 V32 L33C25-S29 PolarHBondContact O-N 3.09Å; C25-S29 VanDerWaalsContact O-N 3.1Å; C25-S29 PolarHBondContact O-OG 3.47Å; G26-S29 PolarHBondContact O-OG 2.88Å; S29-N31 VanDerWaalsContact C-N 3.33Å; S29-N31 PolarHBondContact O-N 3.41Å; S29-V32 PolarHBondContact O-N 3.38Å; S29-L33 VanDerWaalsContact O-CB 3.28Å; S29-L33 WeakPolarHBondContact O-CB 3.22Å; S29-L33 PolarHBondContact O-N 2.68Å
30R55.8Low53.2Low178 Ų17898.6 Ų98.667%0.67251%0.511SS*.Hα-helixtrans-59.4-41.4171.1-91.4179.2151.2171.5-5.6112.7G26 Q27 L33 A34G26-R30 WeakPolarHBondContact O-CB 3.21Å; G26-R30 WeakPolarHBondContact O-CG 3.32Å; G26-R30 PolarHBondContact O-N 3.33Å; Q27-R30 PolarHBondContact O-N 3.38Å; R30-L33 PolarHBondContact O-N 3.27Å; R30-A34 WeakPolarHBondContact O-CB 3.31Å; R30-A34 PolarHBondContact O-N 3.49Å
31N60.4Low53.8Low86 Ų8693.2 Ų93.246%0.4650%0.5SS..Hα-helixtrans-68.4-40.7179.5-73-23.3000111.9Q27 R28 S29 A34 V35Q27-N31 WeakPolarHBondContact O-CB 3.19Å; Q27-N31 PolarHBondContact O-N 3.39Å; Q27-N31 PolarHBondContact O-ND2 3.48Å; Q27-N31 VanDerWaalsContact O-ND2 3.16Å; R28-N31 PolarHBondContact O-N 3.01Å; S29-N31 VanDerWaalsContact C-N 3.33Å; S29-N31 PolarHBondContact O-N 3.41Å; N31-A34 PolarHBondContact O-N 3.28Å; N31-V35 WeakPolarHBondContact O-CB 3.14Å; N31-V35 WeakPolarHBondContact O-CG2 3.43Å; N31-V35 PolarHBondContact O-N 2.85Å
32V61.5Low54.2Low75 Ų7592.1 Ų92.146%0.45551%0.505SS..Hα-helixtrans-65.8-45.1175.4173.50000110.3R28 S29 A34 V35 F36R28-V32 WeakPolarHBondContact O-CG2 3.27Å; R28-V32 PolarHBondContact O-N 2.87Å; S29-V32 PolarHBondContact O-N 3.38Å; V32-A34 VanDerWaalsContact C-N 3.33Å; V32-A34 PolarHBondContact O-N 2.95Å; V32-V35 PolarHBondContact O-N 3.47Å; V32-F36 HydrophobicContact CG1-CD2 3.71Å; V32-F36 HydrophobicContact CG1-CE2 3.75Å; V32-F36 VanDerWaalsContact O-CD2 3.29Å; V32-F36 WeakPolarHBondContact O-CD2 3.31Å; V32-F36 PolarHBondContact O-N 3.22Å
33L60.3Low54.8Low64 Ų6490.1 Ų90.134%0.33550%0.501SS..Hα-helixtrans-61.3-42.1176.1-165.271.1000111.6S29 R30 F36 S37 F127 L130S29-L33 VanDerWaalsContact O-CB 3.28Å; S29-L33 WeakPolarHBondContact O-CB 3.22Å; S29-L33 PolarHBondContact O-N 2.68Å; R30-L33 PolarHBondContact O-N 3.27Å; L33-F36 PolarHBondContact O-N 2.77Å; L33-S37 WeakPolarHBondContact O-CB 3.35Å; L33-S37 PolarHBondContact O-N 2.91Å; L33-S37 PolarHBondContact O-OG 3.46Å; L33-F127 HydrophobicContact CD2-CE2 4.11Å; L33-L130 HydrophobicContact CD1-CD2 3.54Å
34A63.4Low55Low45 Ų4590.1 Ų90.137%0.37250%0.498SS..Hα-helixtrans-64.1-41.8175.500000112R30 N31 V32 S37 L38R30-A34 WeakPolarHBondContact O-CB 3.31Å; R30-A34 PolarHBondContact O-N 3.49Å; N31-A34 PolarHBondContact O-N 3.28Å; V32-A34 VanDerWaalsContact C-N 3.33Å; V32-A34 PolarHBondContact O-N 2.95Å; A34-S37 PolarHBondContact O-N 2.82Å; A34-L38 WeakPolarHBondContact O-CB 3.31Å; A34-L38 WeakPolarHBondContact O-CG 3.31Å; A34-L38 PolarHBondContact O-N 2.79Å
35V64.3Low54.9Low80 Ų8091.2 Ų91.249%0.48551%0.505SS..Hα-helixtrans-63.2-45.1175.5169.50000110.5N31 V32 L38 L39N31-V35 WeakPolarHBondContact O-CB 3.14Å; N31-V35 WeakPolarHBondContact O-CG2 3.43Å; N31-V35 PolarHBondContact O-N 2.85Å; V32-V35 PolarHBondContact O-N 3.47Å; V35-L38 PolarHBondContact O-N 2.8Å; V35-L39 HydrophobicContact CG1-CD1 3.68Å; V35-L39 HydrophobicContact CG1-CG 4.3Å; V35-L39 WeakPolarHBondContact O-CB 3.34Å; V35-L39 WeakPolarHBondContact O-CG 3.32Å; V35-L39 PolarHBondContact O-N 3.15Å
36F60.1Low54.8Low112 Ų11290.4 Ų90.449%0.49151%0.505SS..Hα-helixtrans-60.9-48173.7-88.1-74.5000111.4V32 L33 L38 L39 F40V32-F36 HydrophobicContact CG1-CD2 3.71Å; V32-F36 HydrophobicContact CG1-CE2 3.75Å; V32-F36 VanDerWaalsContact O-CD2 3.29Å; V32-F36 WeakPolarHBondContact O-CD2 3.31Å; V32-F36 PolarHBondContact O-N 3.22Å; L33-F36 PolarHBondContact O-N 2.77Å; F36-L38 PolarHBondContact O-N 2.79Å; F36-L39 PolarHBondContact O-N 3.36Å; F36-L39 VanDerWaalsContact O-N 3.09Å; F36-F40 HydrophobicContact CB-CD2 4.42Å; F36-F40 HydrophobicContact CB-CE2 3.92Å; F36-F40 AromaticContact CD1-CE2 3.95Å; F36-F40 HydrophobicContact CD1-CE2 3.95Å; F36-F40 HydrophobicContact CD1-CZ 4.15Å; F36-F40 HydrophobicContact CG-CE2 4.4Å; F36-F40 WeakPolarHBondContact O-CD2 3.35Å; F36-F40 PolarHBondContact O-N 3.39Å
37S62.2Low54.7Low40 Ų4095.7 Ų95.728%0.2852%0.521SS..Hα-helixtrans-60-27.1176-66.50000114L33 A34 P41L33-S37 WeakPolarHBondContact O-CB 3.35Å; L33-S37 PolarHBondContact O-N 2.91Å; L33-S37 PolarHBondContact O-OG 3.46Å; A34-S37 PolarHBondContact O-N 2.82Å; S37-P41 WeakPolarHBondContact O-CD 3.34Å; S37-P41 WeakPolarHBondContact O-CG 3.25Å
38L60.8Low54.6Low126 Ų12698.3 Ų98.366%0.6653%0.531SS*.Hα-helixtrans-84.7-30.4174.8-71.5169.2000112.6A34 V35 F36 P41A34-L38 WeakPolarHBondContact O-CB 3.31Å; A34-L38 WeakPolarHBondContact O-CG 3.31Å; A34-L38 PolarHBondContact O-N 2.79Å; V35-L38 PolarHBondContact O-N 2.8Å; F36-L38 PolarHBondContact O-N 2.79Å; L38-P41 WeakPolarHBondContact O-CD 3.25Å; L38-P41 WeakPolarHBondContact O-CG 3.2Å
39L57.7Low55.2Low96 Ų9697.7 Ų97.750%0.50353%0.529SS..Hα-helixtrans-76.4-35.4179.2-72.7169.3000112.7V35 F36 A42 V43V35-L39 HydrophobicContact CG1-CD1 3.68Å; V35-L39 HydrophobicContact CG1-CG 4.3Å; V35-L39 WeakPolarHBondContact O-CB 3.34Å; V35-L39 WeakPolarHBondContact O-CG 3.32Å; V35-L39 PolarHBondContact O-N 3.15Å; F36-L39 PolarHBondContact O-N 3.36Å; F36-L39 VanDerWaalsContact O-N 3.09Å; L39-A42 PolarHBondContact O-N 2.93Å; L39-V43 WeakPolarHBondContact O-CG2 3.36Å; L39-V43 PolarHBondContact O-N 3.44Å; L39-V43 VanDerWaalsContact O-N 3.11Å
40F54.2Low55.2Low120 Ų12097.4 Ų97.453%0.52652%0.524SS..Hα-helixtrans-58-49.1177.6-73.5-65.8000114.2F36 A42 V43 L44F36-F40 HydrophobicContact CB-CD2 4.42Å; F36-F40 HydrophobicContact CB-CE2 3.92Å; F36-F40 AromaticContact CD1-CE2 3.95Å; F36-F40 HydrophobicContact CD1-CE2 3.95Å; F36-F40 HydrophobicContact CD1-CZ 4.15Å; F36-F40 HydrophobicContact CG-CE2 4.4Å; F36-F40 WeakPolarHBondContact O-CD2 3.35Å; F36-F40 PolarHBondContact O-N 3.39Å; F40-A42 VanDerWaalsContact C-N 3.35Å; F40-A42 PolarHBondContact O-N 3.42Å; F40-V43 PolarHBondContact O-N 2.94Å; F40-L44 WeakPolarHBondContact O-CD1 3.41Å; F40-L44 PolarHBondContact O-N 2.84Å; F40-L44 VanDerWaalsContact O-N 3.13Å
41P55Low55.6Low73 Ų7389 Ų8947%0.47449%0.493SS..Hα-helixtrans-69-30.717823.8-31.5000113.1S37 L38 S45S37-P41 WeakPolarHBondContact O-CD 3.34Å; S37-P41 WeakPolarHBondContact O-CG 3.25Å; L38-P41 WeakPolarHBondContact O-CD 3.25Å; L38-P41 WeakPolarHBondContact O-CG 3.2Å; P41-S45 WeakPolarHBondContact O-CB 3.19Å; P41-S45 PolarHBondContact O-N 3.33Å
42A50Low55.6Low62 Ų6291.9 Ų91.951%0.51250%0.504SS..Hα-helixtrans-67.5-38.5177.400000112.4L39 F40L39-A42 PolarHBondContact O-N 2.93Å; F40-A42 VanDerWaalsContact C-N 3.35Å; F40-A42 PolarHBondContact O-N 3.42Å
43V48.6Very low55.6Low111 Ų11191.4 Ų91.467%0.67350%0.502SS*.Hα-helixtrans-75.4-35.7178.3175.60000111.6L39 F40 S45 A46L39-V43 WeakPolarHBondContact O-CG2 3.36Å; L39-V43 PolarHBondContact O-N 3.44Å; L39-V43 VanDerWaalsContact O-N 3.11Å; F40-V43 PolarHBondContact O-N 2.94Å; V43-S45 VanDerWaalsContact C-N 3.33Å; V43-A46 PolarHBondContact O-N 3.31Å
44L47.9Very low55.6Low90 Ų9089.6 Ų89.647%0.47149%0.491SS..Hα-helixtrans-72.6-22.9175.6-77.9156.8000113.3F40 A46 H47F40-L44 WeakPolarHBondContact O-CD1 3.41Å; F40-L44 PolarHBondContact O-N 2.84Å; F40-L44 VanDerWaalsContact O-N 3.13Å; L44-A46 VanDerWaalsContact C-N 3.28Å; L44-A46 PolarHBondContact O-N 3.46Å; L44-H47 PolarHBondContact O-CD2 3.37Å
45S43.8Very low55.3Low102 Ų10292 Ų9271%0.71350%0.501SS*.THydrogen-bonded Turntrans-73-17.7177-172.60000113.5P41 V43 H47P41-S45 WeakPolarHBondContact O-CB 3.19Å; P41-S45 PolarHBondContact O-N 3.33Å; V43-S45 VanDerWaalsContact C-N 3.33Å; S45-H47 PolarHBondContact O-N 3.28Å; S45-H47 VanDerWaalsContact O-N 3.07Å
46A39.6Very low55.3Low77 Ų7788.8 Ų88.864%0.63648%0.481SS*.THydrogen-bonded Turntrans-80.826.7175.200000113V43 L44 F48V43-A46 PolarHBondContact O-N 3.31Å; L44-A46 VanDerWaalsContact C-N 3.28Å; L44-A46 PolarHBondContact O-N 3.46Å; A46-F48 PolarHBondContact O-N 2.89Å
47H47.4Very low55.5Low141 Ų14189.9 Ų89.965%0.65349%0.487SS*.  trans-70.6106.1-178.2-118.4-90000110.3L44 S45 R49L44-H47 PolarHBondContact O-CD2 3.37Å; S45-H47 PolarHBondContact O-N 3.28Å; S45-H47 VanDerWaalsContact O-N 3.07Å; H47-R49 PolarHBondContact O-N 2.88Å
48F49.1Very low55.8Low162 Ų16294.5 Ų94.571%0.71150%0.502SS*.  trans-18.6112.9161.3-91.6-107000112.7A46 V50 H66A46-F48 PolarHBondContact O-N 2.89Å; F48-V50 HydrophobicContact CB-CG2 3.92Å; F48-V50 WeakPolarHBondContact O-CG2 3.44Å; F48-V50 PolarHBondContact O-N 3.21Å; F48-H66 AromaticContact CD1-CE1 3.95Å; F48-H66 AromaticContact CD1-ND1 3.69Å
49R60.4Low56Low140 Ų14091.5 Ų91.553%0.52850%0.502SS..  trans-75.577.8175.2-63.1-97.1176106.3-3108.6H47 V77H47-R49 PolarHBondContact O-N 2.88Å; R49-V77 WeakPolarHBondContact CB-O 3.42Å
50V56.1Low56.6Low65 Ų6594.6 Ų94.639%0.39451%0.507SS..EExtended strand (participates in β ladder)trans-84.9122.1176.6-166.40000108.4F48 E52 H66F48-V50 HydrophobicContact CB-CG2 3.92Å; F48-V50 WeakPolarHBondContact O-CG2 3.44Å; F48-V50 PolarHBondContact O-N 3.21Å; V50-E52 PolarHBondContact O-N 3.35Å; V50-H66 WeakPolarHBondContact CG2-CE1 3.2Å; V50-H66 WeakPolarHBondContact CG2-ND1 3.38Å
51C64.6Low57.1Low3 Ų395.5 Ų95.52%0.0251%0.508CS..EExtended strand (participates in β ladder)trans-73.7115.5169.5-54.60000108.3G64 F65 C79C51-G64 CarbonylContact O-C 3.57Å; C51-G64 WeakPolarHBondContact O-CA 3.33Å; C51-F65 HydrophobicContact CB-CD2 4.31Å; C51-F65 HydrophobicContact CB-CE1 4.32Å; C51-F65 HydrophobicContact CB-CE2 4.09Å; C51-F65 HydrophobicContact CB-CZ 4.08Å; C51-F65 WeakPolarHBondContact CB-O 3.28Å; C51-F65 PolarHBondContact N-O 3.04Å; C51-F65 PolarHBondContact O-N 3.22Å; C51-F65 VanDerWaalsContact SG-CE2 3.5Å; C51-C79 WeakPolarHBondContact CA-SG 3.39Å; C51-C79 HydrophobicContact CB-CB 3.95Å; C51-C79 WeakPolarHBondContact CB-SG 3.2Å; C51-C79 WeakPolarHBondContact SG-CB 3.38Å; C51-C79 CovalentContact SG-SG 2.02Å; C51-C79 PolarHBondContact SG-SG 3.3Å
52E60.5Low57.8Low146 Ų14694.5 Ų94.568%0.68250%0.496SS*.  trans-58.8143.1-179.7-67.7-179.9127.700111.9V50 K88V50-E52 PolarHBondContact O-N 3.35Å; E52-K88 PolarHBondContact O-NZ 3Å
53P62Low58.6Low64 Ų6499.5 Ų99.542%0.41651%0.507SS..  trans-54.9146174.824.7-33.5000110.5Y61 H62P53-Y61 HydrophobicContact CB-CE1 4.45Å; P53-Y61 HydrophobicContact CB-CE2 4.11Å; P53-Y61 VanDerWaalsContact CB-OH 3.29Å; P53-Y61 WeakPolarHBondContact CB-OH 3.39Å; P53-H62 VanDerWaalsContact CA-O 3.27Å; P53-H62 WeakPolarHBondContact CA-O 3.42Å; P53-H62 WeakPolarHBondContact CB-O 3.29Å
54Y60Low59.4Low27 Ų2795.9 Ų95.911%0.10649%0.492CS..EExtended strand (participates in β ladder)trans-138.3150.6-178.266.4-88.2000111.3H62 V86 F87 K88Y54-H62 HydrophobicContact CD1-CB 4.01Å; Y54-H62 HydrophobicContact CD2-CB 4.1Å; Y54-H62 HydrophobicContact CE1-CB 3.64Å; Y54-H62 HydrophobicContact CE2-CB 3.67Å; Y54-H62 AromaticContact CE2-CD2 3.42Å; Y54-H62 VanDerWaalsContact CE2-CD2 3.42Å; Y54-H62 WeakPolarHBondContact CE2-CD2 2.88Å; Y54-H62 AromaticContact CE2-CG 3.57Å; Y54-H62 HydrophobicContact CG-CB 4.25Å; Y54-H62 VanDerWaalsContact CZ-CB 3.46Å; Y54-H62 AromaticContact CZ-CD2 3.91Å; Y54-H62 AromaticContact CZ-CG 3.56Å; Y54-H62 PolarHBondContact N-O 3.3Å; Y54-H62 VanDerWaalsContact N-O 3.08Å; Y54-H62 WeakPolarHBondContact O-CB 3.2Å; Y54-H62 PolarHBondContact O-N 3.47Å; Y54-V86 HydrophobicContact CD2-CG1 3.75Å; Y54-V86 WeakPolarHBondContact CD2-O 3.45Å; Y54-V86 HydrophobicContact CE2-CG1 3.89Å; Y54-V86 WeakPolarHBondContact CE2-O 3.17Å; Y54-V86 VanDerWaalsContact CZ-O 3.27Å; Y54-F87 WeakPolarHBondContact OH-CA 3.37Å; Y54-K88 HydrophobicContact CD1-CB 4.15Å; Y54-K88 HydrophobicContact CD1-CD 3.44Å; Y54-K88 VanDerWaalsContact CD1-CD 3.44Å; Y54-K88 HydrophobicContact CD1-CG 3.64Å; Y54-K88 HydrophobicContact CE1-CB 3.73Å; Y54-K88 HydrophobicContact CE1-CD 3.95Å; Y54-K88 HydrophobicContact CE1-CG 3.68Å; Y54-K88 HydrophobicContact CG-CD 4.07Å; Y54-K88 HydrophobicContact CG-CG 4.2Å; Y54-K88 PolarHBondContact OH-N 3.07Å
55T56.1Low60.4Low96 Ų9693.2 Ų93.259%0.58948%0.477SS*.EExtended strand (participates in β ladder)trans-97.8129.2172.747.10000109.5R60 Y61T55-R60 CarbonylContact C-O 3.19Å; T55-R60 WeakPolarHBondContact CA-O 3.35Å; T55-Y61 HydrophobicContact CG2-CD2 4.01Å
56D65.6Low61.3Low11 Ų1193.2 Ų93.26%0.05947%0.465CS..  trans-62.1158173.7-165.39.5000111.5K58 G59 R60 V86D56-K58 PolarHBondContact O-N 3.23Å; D56-G59 WeakPolarHBondContact O-CA 3.39Å; D56-G59 PolarHBondContact O-N 3.44Å; D56-R60 HydrophobicContact CB-CB 4.01Å; D56-R60 WeakPolarHBondContact CB-O 3.24Å; D56-R60 PolarHBondContact N-O 3.09Å; D56-V86 HydrophobicContact CB-CG1 4.34Å; D56-V86 WeakPolarHBondContact OD1-CB 3.43Å; D56-V86 WeakPolarHBondContact OD1-CG2 3.36Å
57H64Low62.4Low135 Ų13590.2 Ų90.263%0.62544%0.44SS*.THydrogen-bonded Turntrans-58-18.5169.162.2-73000112.4G59 V86H57-G59 VanDerWaalsContact C-N 3.34Å; H57-V86 HydrophobicContact CB-CG2 3.96Å; H57-V86 WeakPolarHBondContact ND1-CG2 3.17Å
58K68.4Low62.8Low137 Ų13786.6 Ų86.660%0.59643%0.429SS*.THydrogen-bonded Turntrans-90.39.3172.8-61.2179.4-179177.70113.6D56 R60D56-K58 PolarHBondContact O-N 3.23Å; K58-R60 VanDerWaalsContact C-N 3.25Å; K58-R60 HydrophobicContact CB-CG 4.49Å; K58-R60 PolarHBondContact O-N 3.39Å
59G65.4Low63.3Low63 Ų6386.5 Ų86.565%0.64942%0.423SS*.SBendtrans71.813-178.600000114.6D56 H57D56-G59 WeakPolarHBondContact O-CA 3.39Å; D56-G59 PolarHBondContact O-N 3.44Å; H57-G59 VanDerWaalsContact C-N 3.34Å
60R69.4Low63Low162 Ų16289.1 Ų89.161%0.61145%0.447SS*.  trans-85128.4-179.9-66.1-177.2-179.5163-1.6110.5T55 D56 K58 H62T55-R60 CarbonylContact C-O 3.19Å; T55-R60 WeakPolarHBondContact CA-O 3.35Å; D56-R60 HydrophobicContact CB-CB 4.01Å; D56-R60 WeakPolarHBondContact CB-O 3.24Å; D56-R60 PolarHBondContact N-O 3.09Å; K58-R60 VanDerWaalsContact C-N 3.25Å; K58-R60 HydrophobicContact CB-CG 4.49Å; K58-R60 PolarHBondContact O-N 3.39Å; R60-H62 PolarHBondContact O-CD2 2.98Å
61Y65.3Low62.7Low139 Ų13992 Ų9255%0.54547%0.47SS..EExtended strand (participates in β ladder)trans-81.6124.8-180-174.3-97.3000111.1P53 T55 F63P53-Y61 HydrophobicContact CB-CE1 4.45Å; P53-Y61 HydrophobicContact CB-CE2 4.11Å; P53-Y61 VanDerWaalsContact CB-OH 3.29Å; P53-Y61 WeakPolarHBondContact CB-OH 3.39Å; T55-Y61 HydrophobicContact CG2-CD2 4.01Å; Y61-F63 HydrophobicContact CD1-CD1 4.37Å; Y61-F63 HydrophobicContact CD1-CE1 4.27Å; Y61-F63 AromaticContact CE1-CD1 3.81Å; Y61-F63 HydrophobicContact CE1-CD1 3.81Å; Y61-F63 AromaticContact CE1-CE1 3.92Å; Y61-F63 HydrophobicContact CE1-CE1 3.92Å; Y61-F63 HydrophobicContact CE1-CG 4.39Å
62H69.4Low62.4Low51 Ų5194.4 Ų94.424%0.23648%0.483CS..EExtended strand (participates in β ladder)trans-109124.1174.3-69-88.7000110.1P53 Y54 R60 F87P53-H62 VanDerWaalsContact CA-O 3.27Å; P53-H62 WeakPolarHBondContact CA-O 3.42Å; P53-H62 WeakPolarHBondContact CB-O 3.29Å; Y54-H62 HydrophobicContact CD1-CB 4.01Å; Y54-H62 HydrophobicContact CD2-CB 4.1Å; Y54-H62 HydrophobicContact CE1-CB 3.64Å; Y54-H62 HydrophobicContact CE2-CB 3.67Å; Y54-H62 AromaticContact CE2-CD2 3.42Å; Y54-H62 VanDerWaalsContact CE2-CD2 3.42Å; Y54-H62 WeakPolarHBondContact CE2-CD2 2.88Å; Y54-H62 AromaticContact CE2-CG 3.57Å; Y54-H62 HydrophobicContact CG-CB 4.25Å; Y54-H62 VanDerWaalsContact CZ-CB 3.46Å; Y54-H62 AromaticContact CZ-CD2 3.91Å; Y54-H62 AromaticContact CZ-CG 3.56Å; Y54-H62 PolarHBondContact N-O 3.3Å; Y54-H62 VanDerWaalsContact N-O 3.08Å; Y54-H62 WeakPolarHBondContact O-CB 3.2Å; Y54-H62 PolarHBondContact O-N 3.47Å; R60-H62 PolarHBondContact O-CD2 2.98Å; H62-F87 AromaticContact CE1-CE1 3.71Å
63F66.5Low62.2Low168 Ų16892.5 Ų92.574%0.73748%0.477SS*.  trans-63.8142.4176.9-61-80.4000111.3Y61Y61-F63 HydrophobicContact CD1-CD1 4.37Å; Y61-F63 HydrophobicContact CD1-CE1 4.27Å; Y61-F63 AromaticContact CE1-CD1 3.81Å; Y61-F63 HydrophobicContact CE1-CD1 3.81Å; Y61-F63 AromaticContact CE1-CE1 3.92Å; Y61-F63 HydrophobicContact CE1-CE1 3.92Å; Y61-F63 HydrophobicContact CE1-CG 4.39Å
64G64.9Low62.1Low34 Ų3498.3 Ų98.335%0.35150%0.496SS..  trans-64.4142.317400000111.4C51C51-G64 CarbonylContact O-C 3.57Å; C51-G64 WeakPolarHBondContact O-CA 3.33Å
65F69.1Low62Low35 Ų3599.8 Ų99.815%0.15451%0.508CS..EExtended strand (participates in β ladder)trans-127.2151.5179.758-92000110.9C51 K88C51-F65 HydrophobicContact CB-CD2 4.31Å; C51-F65 HydrophobicContact CB-CE1 4.32Å; C51-F65 HydrophobicContact CB-CE2 4.09Å; C51-F65 HydrophobicContact CB-CZ 4.08Å; C51-F65 WeakPolarHBondContact CB-O 3.28Å; C51-F65 PolarHBondContact N-O 3.04Å; C51-F65 PolarHBondContact O-N 3.22Å; C51-F65 VanDerWaalsContact SG-CE2 3.5Å; F65-K88 HydrophobicContact CE1-CB 4.2Å; F65-K88 HydrophobicContact CZ-CB 4.07Å; F65-K88 VanDerWaalsContact CZ-O 3.28Å; F65-K88 WeakPolarHBondContact CZ-O 3.42Å
66H63.3Low62Low101 Ų10197.9 Ų97.947%0.46849%0.491SS..EExtended strand (participates in β ladder)trans-91.5133.1177.2-65.1-90000110.2F48 V50F48-H66 AromaticContact CD1-CE1 3.95Å; F48-H66 AromaticContact CD1-ND1 3.69Å; V50-H66 WeakPolarHBondContact CG2-CE1 3.2Å; V50-H66 WeakPolarHBondContact CG2-ND1 3.38Å
67C62.4Low61.9Low15 Ų1599.2 Ų99.210%0.10150%0.5CS..SBendtrans-100.7142.9168.6-61.70000109.5F76 C90C67-F76 WeakPolarHBondContact CB-O 3.37Å; C67-C90 HydrophobicContact CB-CB 3.95Å; C67-C90 WeakPolarHBondContact CB-SG 3.42Å; C67-C90 WeakPolarHBondContact SG-CB 3.47Å; C67-C90 CovalentContact SG-SG 2.04Å; C67-C90 PolarHBondContact SG-SG 3.46Å
68P57.1Low61.7Low65 Ų6593.9 Ų93.942%0.42248%0.476SS..SBendcis-83.3145.5-0.131.3-30.9000112.1
69R58.6Low61.7Low160 Ų16089.3 Ų89.360%0.60446%0.461SS*.PPolyproline II helixtrans-71.3154.6168.4-78-140.1179.7175.71.3110.1S71 D72R69-S71 PolarHBondContact O-N 3.36Å; R69-D72 HydrophobicContact CB-CB 4.33Å; R69-D72 WeakPolarHBondContact O-CB 3.49Å; R69-D72 PolarHBondContact O-N 3.09Å
70L54.5Low61.7Low195 Ų19586.6 Ų86.6100%1.02143%0.431SS*.THydrogen-bonded Turntrans-58.5-18.1179.6-156.671.6000114.1
71S49.6Very low61.6Low125 Ų12583 Ų8387%0.87442%0.421SS*.THydrogen-bonded Turntrans-95.2-2.4176.8-1730000113.6R69R69-S71 PolarHBondContact O-N 3.36Å
72D58.3Low61.6Low54 Ų5481.1 Ų81.129%0.28942%0.417SS..SBendtrans-108.5151.6-171.5-152.7-10.2000110.9R69 F76 C90R69-D72 HydrophobicContact CB-CB 4.33Å; R69-D72 WeakPolarHBondContact O-CB 3.49Å; R69-D72 PolarHBondContact O-N 3.09Å; D72-F76 HydrophobicContact CB-CB 4.47Å; D72-F76 VanDerWaalsContact CG-CB 3.42Å; D72-F76 WeakPolarHBondContact OD1-CB 3.39Å; D72-F76 WeakPolarHBondContact OD1-CD2 3.2Å; D72-F76 WeakPolarHBondContact OD1-CG 3.22Å; D72-F76 WeakPolarHBondContact OD2-CB 3.29Å; D72-C90 WeakPolarHBondContact OD2-CB 3.37Å
73N56.5Low61.2Low106 Ų10685.3 Ų85.357%0.56744%0.442SS*.  trans-70.5153.8-178.2-161.7-27.3000110T75 F76N73-T75 PolarHBondContact O-N 2.9Å; N73-F76 HydrophobicContact CB-CD2 3.69Å; N73-F76 HydrophobicContact CB-CE2 3.74Å; N73-F76 PolarHBondContact O-N 3.25Å
74K58.9Low60.6Low185 Ų18584.7 Ų84.780%0.80445%0.446SS*.THydrogen-bonded Turntrans-58.7-16.7-175.4-161.5-178.6-178.882.80113.4
75T58Low60.1Low59 Ų5985.6 Ų85.636%0.36245%0.445SS..THydrogen-bonded Turntrans-81.5-13.5179.9530000114.2N73 V77 N92N73-T75 PolarHBondContact O-N 2.9Å; T75-V77 PolarHBondContact O-N 2.92Å; T75-V77 VanDerWaalsContact O-N 3.13Å; T75-N92 PolarHBondContact O-OD1 2.79Å
76F57.5Low59.4Low56 Ų5685.3 Ų85.325%0.24645%0.446CS..  trans-91.172.6-175.7-68.9-96.3000111.4C67 D72 N73 C90 N92C67-F76 WeakPolarHBondContact CB-O 3.37Å; D72-F76 HydrophobicContact CB-CB 4.47Å; D72-F76 VanDerWaalsContact CG-CB 3.42Å; D72-F76 WeakPolarHBondContact OD1-CB 3.39Å; D72-F76 WeakPolarHBondContact OD1-CD2 3.2Å; D72-F76 WeakPolarHBondContact OD1-CG 3.22Å; D72-F76 WeakPolarHBondContact OD2-CB 3.29Å; N73-F76 HydrophobicContact CB-CD2 3.69Å; N73-F76 HydrophobicContact CB-CE2 3.74Å; N73-F76 PolarHBondContact O-N 3.25Å; F76-C90 HydrophobicContact CB-CB 4.13Å; F76-C90 WeakPolarHBondContact CD1-O 3.47Å; F76-N92 HydrophobicContact CD1-CB 4.48Å; F76-N92 HydrophobicContact CE1-CB 4.33Å
77V62.4Low59.1Low39 Ų3985.7 Ų85.724%0.23645%0.446CS..  trans-109.2-0.5-173.5-65.40000113.9R49 T75R49-V77 WeakPolarHBondContact CB-O 3.42Å; T75-V77 PolarHBondContact O-N 2.92Å; T75-V77 VanDerWaalsContact O-N 3.13Å
78L61.3Low59.3Low23 Ų2387.7 Ų87.712%0.1245%0.453CS..EExtended strand (participates in β ladder)trans-110.8153.4178.2-90.974.5000112C90 C91 E93 F96L78-C90 CarbonylContact O-C 3.54Å; L78-C90 WeakPolarHBondContact O-CA 3.41Å; L78-C91 PolarHBondContact N-O 2.88Å; L78-C91 PolarHBondContact O-N 3.34Å; L78-E93 HydrophobicContact CD1-CG 4.19Å; L78-F96 HydrophobicContact CB-CD2 4.26Å; L78-F96 HydrophobicContact CD2-CB 3.7Å; L78-F96 HydrophobicContact CD2-CD1 3.38Å; L78-F96 HydrophobicContact CD2-CD2 3.53Å; L78-F96 HydrophobicContact CD2-CE1 3.72Å; L78-F96 HydrophobicContact CD2-CE2 3.84Å; L78-F96 HydrophobicContact CD2-CG 3.26Å; L78-F96 HydrophobicContact CD2-CZ 3.91Å; L78-F96 HydrophobicContact CG-CD2 4.42Å; L78-F96 HydrophobicContact CG-CG 4.47Å
79C66.4Low59.8Low41 Ų4187.8 Ų87.828%0.27745%0.446SS..EExtended strand (participates in β ladder)trans-94.9114173.9-53.50000109.6C51C51-C79 WeakPolarHBondContact CA-SG 3.39Å; C51-C79 HydrophobicContact CB-CB 3.95Å; C51-C79 WeakPolarHBondContact CB-SG 3.2Å; C51-C79 WeakPolarHBondContact SG-CB 3.38Å; C51-C79 CovalentContact SG-SG 2.02Å; C51-C79 PolarHBondContact SG-SG 3.3Å
80C66.8Low60.3Low5 Ų581 Ų813%0.03442%0.422CS..EExtended strand (participates in β ladder)trans-104.6155.2171.7-76.60000111.4K88 Y89 C91 F96C80-K88 CarbonylContact O-C 3.53Å; C80-K88 VanDerWaalsContact O-CA 3.26Å; C80-K88 WeakPolarHBondContact O-CA 3.39Å; C80-Y89 HydrophobicContact CB-CD1 4.32Å; C80-Y89 HydrophobicContact CB-CE1 3.84Å; C80-Y89 HydrophobicContact CB-CE2 4.18Å; C80-Y89 PolarHBondContact N-O 3.43Å; C80-Y89 PolarHBondContact O-N 2.89Å; C80-C91 HydrophobicContact CB-CB 3.5Å; C80-C91 VanDerWaalsContact CB-CB 3.5Å; C80-C91 WeakPolarHBondContact CB-SG 3.37Å; C80-C91 PolarHBondContact N-SG 3.5Å; C80-C91 VanDerWaalsContact N-SG 3.42Å; C80-C91 WeakPolarHBondContact SG-CB 2.94Å; C80-C91 CovalentContact SG-SG 2.01Å; C80-C91 PolarHBondContact SG-SG 3Å; C80-F96 VanDerWaalsContact SG-CA 3.57Å
81H66.1Low60.9Low86 Ų8671.7 Ų71.740%0.39837%0.374SS..EExtended strand (participates in β ladder)trans-109.2131.5168.5177.9-87.2000108.1N83 T85 V86H81-N83 PolarHBondContact O-N 3.48Å; H81-T85 PolarHBondContact CE1-O 3.24Å; H81-T85 VanDerWaalsContact CE1-O 3.27Å; H81-T85 PolarHBondContact NE2-O 3.45Å; H81-T85 VanDerWaalsContact NE2-O 3.12Å; H81-V86 WeakPolarHBondContact NE2-CA 3.32Å
82H65.8Low61.7Low100 Ų10067.6 Ų67.646%0.46334%0.342SS..  trans-75.7124177.9-165.671.9000108.7N84 T85 Y89H82-N84 PolarHBondContact O-N 3.01Å; H82-T85 WeakPolarHBondContact CB-OG1 3.24Å; H82-T85 PolarHBondContact O-N 2.9Å; H82-Y89 HydrophobicContact CB-CD1 4.12Å; H82-Y89 HydrophobicContact CB-CE1 3.72Å
83N62Low61.8Low140 Ų14070.9 Ų70.975%0.74936%0.356SS*.THydrogen-bonded Turntrans-66.732-165.9-165.117.6000116.4H81H81-N83 PolarHBondContact O-N 3.48Å
84N52.3Low61.8Low154 Ų15470.3 Ų70.382%0.82436%0.356SS*.THydrogen-bonded Turntrans-167.814.5158.2-149.8-1.6000113.3H82H82-N84 PolarHBondContact O-N 3.01Å
85T55Low61.5Low53 Ų5366.2 Ų66.233%0.32534%0.34SS..SBendtrans-135.7136.4177.168.30000108.2H81 H82 F87H81-T85 PolarHBondContact CE1-O 3.24Å; H81-T85 VanDerWaalsContact CE1-O 3.27Å; H81-T85 PolarHBondContact NE2-O 3.45Å; H81-T85 VanDerWaalsContact NE2-O 3.12Å; H82-T85 WeakPolarHBondContact CB-OG1 3.24Å; H82-T85 PolarHBondContact O-N 2.9Å; T85-F87 PolarHBondContact O-N 3.38Å
86V54.9Low61.4Low29 Ų2966.2 Ų66.218%0.17634%0.335CS..SBendtrans-69.56.7-175.5-171.50000113.3Y54 D56 H57 H81 K88Y54-V86 HydrophobicContact CD2-CG1 3.75Å; Y54-V86 WeakPolarHBondContact CD2-O 3.45Å; Y54-V86 HydrophobicContact CE2-CG1 3.89Å; Y54-V86 WeakPolarHBondContact CE2-O 3.17Å; Y54-V86 VanDerWaalsContact CZ-O 3.27Å; D56-V86 HydrophobicContact CB-CG1 4.34Å; D56-V86 WeakPolarHBondContact OD1-CB 3.43Å; D56-V86 WeakPolarHBondContact OD1-CG2 3.36Å; H57-V86 HydrophobicContact CB-CG2 3.96Å; H57-V86 WeakPolarHBondContact ND1-CG2 3.17Å; H81-V86 WeakPolarHBondContact NE2-CA 3.32Å; V86-K88 PolarHBondContact O-N 3.02Å
87F56.3Low61.2Low109 Ų10969.1 Ų69.148%0.47835%0.349SS..  trans-78.7116177.4-59.8-70.4000111Y54 H62 T85Y54-F87 WeakPolarHBondContact OH-CA 3.37Å; H62-F87 AromaticContact CE1-CE1 3.71Å; T85-F87 PolarHBondContact O-N 3.38Å
88K66.9Low60.6Low58 Ų5870.9 Ų70.925%0.25237%0.368SS..EExtended strand (participates in β ladder)trans-76.5138.3166.3-61.3-174.2-173.6172.50108.9E52 Y54 F65 C80 V86E52-K88 PolarHBondContact O-NZ 3Å; Y54-K88 HydrophobicContact CD1-CB 4.15Å; Y54-K88 HydrophobicContact CD1-CD 3.44Å; Y54-K88 VanDerWaalsContact CD1-CD 3.44Å; Y54-K88 HydrophobicContact CD1-CG 3.64Å; Y54-K88 HydrophobicContact CE1-CB 3.73Å; Y54-K88 HydrophobicContact CE1-CD 3.95Å; Y54-K88 HydrophobicContact CE1-CG 3.68Å; Y54-K88 HydrophobicContact CG-CD 4.07Å; Y54-K88 HydrophobicContact CG-CG 4.2Å; Y54-K88 PolarHBondContact OH-N 3.07Å; F65-K88 HydrophobicContact CE1-CB 4.2Å; F65-K88 HydrophobicContact CZ-CB 4.07Å; F65-K88 VanDerWaalsContact CZ-O 3.28Å; F65-K88 WeakPolarHBondContact CZ-O 3.42Å; C80-K88 CarbonylContact O-C 3.53Å; C80-K88 VanDerWaalsContact O-CA 3.26Å; C80-K88 WeakPolarHBondContact O-CA 3.39Å; V86-K88 PolarHBondContact O-N 3.02Å
89Y67.3Low60.2Low67 Ų6772.6 Ų72.626%0.26338%0.379SS..EExtended strand (participates in β ladder)trans-135.9157.6177.167.8-80.3000111.1C80 H82 C91C80-Y89 HydrophobicContact CB-CD1 4.32Å; C80-Y89 HydrophobicContact CB-CE1 3.84Å; C80-Y89 HydrophobicContact CB-CE2 4.18Å; C80-Y89 PolarHBondContact N-O 3.43Å; C80-Y89 PolarHBondContact O-N 2.89Å; H82-Y89 HydrophobicContact CB-CD1 4.12Å; H82-Y89 HydrophobicContact CB-CE1 3.72Å; Y89-C91 HydrophobicContact CD2-CB 4.4Å; Y89-C91 HydrophobicContact CE2-CB 3.95Å
90C69.9Low59.6Low16 Ų1675.1 Ų75.111%0.10839%0.388CS..EExtended strand (participates in β ladder)trans-73.4129.8173.4-58.40000109C67 D72 F76 L78C67-C90 HydrophobicContact CB-CB 3.95Å; C67-C90 WeakPolarHBondContact CB-SG 3.42Å; C67-C90 WeakPolarHBondContact SG-CB 3.47Å; C67-C90 CovalentContact SG-SG 2.04Å; C67-C90 PolarHBondContact SG-SG 3.46Å; D72-C90 WeakPolarHBondContact OD2-CB 3.37Å; F76-C90 HydrophobicContact CB-CB 4.13Å; F76-C90 WeakPolarHBondContact CD1-O 3.47Å; L78-C90 CarbonylContact O-C 3.54Å; L78-C90 WeakPolarHBondContact O-CA 3.41Å
91C66.1Low58.7Low0 Ų080.9 Ų80.90%042%0.415CS..EExtended strand (participates in β ladder)trans-129.3159.1179.862.40000111.4L78 C80 Y89 E95L78-C91 PolarHBondContact N-O 2.88Å; L78-C91 PolarHBondContact O-N 3.34Å; C80-C91 HydrophobicContact CB-CB 3.5Å; C80-C91 VanDerWaalsContact CB-CB 3.5Å; C80-C91 WeakPolarHBondContact CB-SG 3.37Å; C80-C91 PolarHBondContact N-SG 3.5Å; C80-C91 VanDerWaalsContact N-SG 3.42Å; C80-C91 WeakPolarHBondContact SG-CB 2.94Å; C80-C91 CovalentContact SG-SG 2.01Å; C80-C91 PolarHBondContact SG-SG 3Å; Y89-C91 HydrophobicContact CD2-CB 4.4Å; Y89-C91 HydrophobicContact CE2-CB 3.95Å; C91-E95 HydrophobicContact CB-CB 4.3Å
92N66.8Low57.9Low40 Ų4081.3 Ų81.321%0.21443%0.433CS..  trans-80.1160.4172-166.66.1000110.7T75 F76 T94 E95 F96T75-N92 PolarHBondContact O-OD1 2.79Å; F76-N92 HydrophobicContact CD1-CB 4.48Å; F76-N92 HydrophobicContact CE1-CB 4.33Å; N92-T94 PolarHBondContact O-N 3.31Å; N92-E95 PolarHBondContact O-N 3.45Å; N92-E95 VanDerWaalsContact O-N 3.13Å; N92-F96 PolarHBondContact O-N 3.14Å
93E60.3Low56.9Low122 Ų12281.9 Ų81.957%0.5744%0.439SS*.Hα-helixtrans-54.3-37.7179.6-64.6173165.600112.4L78 Q97L78-E93 HydrophobicContact CD1-CG 4.19Å; E93-Q97 WeakPolarHBondContact O-CB 3.02Å; E93-Q97 PolarHBondContact O-N 3.15Å
94T56.4Low56.3Low95 Ų9581.7 Ų81.758%0.58344%0.438SS*.Hα-helixtrans-73.8-32.4-179.556.30000113.6N92 A98N92-T94 PolarHBondContact O-N 3.31Å; T94-A98 PolarHBondContact O-N 3.1Å; T94-A98 VanDerWaalsContact O-N 3.12Å
95E53.9Low55.9Low99 Ų9981.4 Ų81.446%0.46344%0.441SS..Hα-helixtrans-79.5-34.5175.6-70.8-120.7147.600111.5C91 N92 Q97 A98 V99C91-E95 HydrophobicContact CB-CB 4.3Å; N92-E95 PolarHBondContact O-N 3.45Å; N92-E95 VanDerWaalsContact O-N 3.13Å; E95-Q97 VanDerWaalsContact C-N 3.29Å; E95-Q97 PolarHBondContact O-N 2.89Å; E95-A98 PolarHBondContact O-N 3.19Å; E95-V99 WeakPolarHBondContact O-CB 2.95Å; E95-V99 WeakPolarHBondContact O-CG2 3.38Å; E95-V99 PolarHBondContact O-N 3.49Å
96F55.1Low55.4Low59 Ų5981.7 Ų81.726%0.25945%0.45SS..Hα-helixtrans-60.3-43.6170.8-177-99.9000111L78 C80 N92 M100L78-F96 HydrophobicContact CB-CD2 4.26Å; L78-F96 HydrophobicContact CD2-CB 3.7Å; L78-F96 HydrophobicContact CD2-CD1 3.38Å; L78-F96 HydrophobicContact CD2-CD2 3.53Å; L78-F96 HydrophobicContact CD2-CE1 3.72Å; L78-F96 HydrophobicContact CD2-CE2 3.84Å; L78-F96 HydrophobicContact CD2-CG 3.26Å; L78-F96 HydrophobicContact CD2-CZ 3.91Å; L78-F96 HydrophobicContact CG-CD2 4.42Å; L78-F96 HydrophobicContact CG-CG 4.47Å; C80-F96 VanDerWaalsContact SG-CA 3.57Å; N92-F96 PolarHBondContact O-N 3.14Å; F96-M100 HydrophobicContact CD1-SD 4.39Å; F96-M100 HydrophobicContact CD2-CE 4.02Å; F96-M100 HydrophobicContact CE1-CE 4.06Å; F96-M100 HydrophobicContact CE1-SD 3.52Å; F96-M100 VanDerWaalsContact CE1-SD 3.52Å; F96-M100 HydrophobicContact CE2-CE 3.14Å; F96-M100 HydrophobicContact CE2-SD 3.82Å; F96-M100 HydrophobicContact CZ-CE 3.18Å; F96-M100 HydrophobicContact CZ-SD 3.2Å; F96-M100 WeakPolarHBondContact CZ-SD 3.35Å; F96-M100 WeakPolarHBondContact O-CA 3.1Å; F96-M100 WeakPolarHBondContact O-CB 3.28Å; F96-M100 PolarHBondContact O-N 2.96Å
97Q52.5Low54.7Low117 Ų11782.7 Ų82.755%0.54747%0.466SS..Hα-helixtrans-63.6-47175.3-166.7162-7.700110.5E93 E95 V99 Q101E93-Q97 WeakPolarHBondContact O-CB 3.02Å; E93-Q97 PolarHBondContact O-N 3.15Å; E95-Q97 VanDerWaalsContact C-N 3.29Å; E95-Q97 PolarHBondContact O-N 2.89Å; Q97-V99 PolarHBondContact O-N 3.29Å; Q97-Q101 WeakPolarHBondContact O-CA 3.27Å; Q97-Q101 WeakPolarHBondContact O-CB 3.34Å; Q97-Q101 PolarHBondContact O-N 3.15Å
98A50.5Low54Low76 Ų7682.7 Ų82.763%0.62848%0.477SS*.Hα-helixtrans-66.2-33.8179.700000115.2T94 E95T94-A98 PolarHBondContact O-N 3.1Å; T94-A98 VanDerWaalsContact O-N 3.12Å; E95-A98 PolarHBondContact O-N 3.19Å
99V52.9Low53Low59 Ų5987.7 Ų87.736%0.35850%0.501SS..Hα-helixtrans-87.7-27.8-179.11780000112.3E95 Q97E95-V99 WeakPolarHBondContact O-CB 2.95Å; E95-V99 WeakPolarHBondContact O-CG2 3.38Å; E95-V99 PolarHBondContact O-N 3.49Å; Q97-V99 PolarHBondContact O-N 3.29Å
100M54.9Low52.1Low94 Ų9487.4 Ų87.446%0.46352%0.518SS..Hα-helixtrans-93.6-9.9177-164.1170.4-75.700113.3F96 A102 N103F96-M100 HydrophobicContact CD1-SD 4.39Å; F96-M100 HydrophobicContact CD2-CE 4.02Å; F96-M100 HydrophobicContact CE1-CE 4.06Å; F96-M100 HydrophobicContact CE1-SD 3.52Å; F96-M100 VanDerWaalsContact CE1-SD 3.52Å; F96-M100 HydrophobicContact CE2-CE 3.14Å; F96-M100 HydrophobicContact CE2-SD 3.82Å; F96-M100 HydrophobicContact CZ-CE 3.18Å; F96-M100 HydrophobicContact CZ-SD 3.2Å; F96-M100 WeakPolarHBondContact CZ-SD 3.35Å; F96-M100 WeakPolarHBondContact O-CA 3.1Å; F96-M100 WeakPolarHBondContact O-CB 3.28Å; F96-M100 PolarHBondContact O-N 2.96Å; M100-A102 PolarHBondContact O-N 2.75Å; M100-N103 PolarHBondContact O-N 3.2Å
101Q47.6Very low51Low126 Ų12695.9 Ų95.959%0.58955%0.549SS*.THydrogen-bonded Turntrans-82.557.2177.6-170.8163.6-57.700112.5Q97Q97-Q101 WeakPolarHBondContact O-CA 3.27Å; Q97-Q101 WeakPolarHBondContact O-CB 3.34Å; Q97-Q101 PolarHBondContact O-N 3.15Å
102A48.3Very low50.2Low94 Ų94101.4 Ų101.478%0.77758%0.577SS**THydrogen-bonded Turntrans-115.7-5.5145.700000111.9M100M100-A102 PolarHBondContact O-N 2.75Å
103N45.5Very low49.4Very low113 Ų113105.7 Ų105.760%0.60460%0.595SS**SBendtrans-139.917.5-169.7-128.817.8000117.7M100 T105 A106M100-N103 PolarHBondContact O-N 3.2Å; N103-T105 PolarHBondContact O-N 2.86Å; N103-A106 PolarHBondContact O-N 2.91Å; N103-A106 WeakPolarHBondContact OD1-CB 3.13Å
104L48.7Very low49.1Very low136 Ų136105.5 Ų105.571%0.71260%0.598SS**THydrogen-bonded Turntrans-78.1-1.3166.9-87.1105.5000113.9
105T44.2Very low49.2Very low147 Ų147106.6 Ų106.690%0.90260%0.6SS**THydrogen-bonded Turntrans-97.7-7.6171.5-40.80000112.6N103N103-T105 PolarHBondContact O-N 2.86Å
106A44.1Very low49.6Very low60 Ų60108.4 Ų108.450%0.49660%0.604SS.*SBendtrans-110.485.7178.600000111.2N103N103-A106 PolarHBondContact O-N 2.91Å; N103-A106 WeakPolarHBondContact OD1-CB 3.13Å
107G39.5Very low50.3Low50 Ų50109.3 Ų109.352%0.51561%0.614SS.*  trans74.3109.3154.500000116.6E109G107-E109 PolarHBondContact O-N 3.48Å
108P41.8Very low51.2Low109 Ų109106.5 Ų106.571%0.70861%0.611SS**THydrogen-bonded Turntrans-72.234.3166.633.4-34000112.8
109E47Very low52.4Low163 Ų163107.5 Ų107.576%0.76261%0.605SS**THydrogen-bonded Turntrans-95.7-9.2-162.3-67.5-68.6150.400114.3G107G107-E109 PolarHBondContact O-N 3.48Å
110G48.6Very low53.5Low61 Ų61107.6 Ų107.663%0.62960%0.603SS**SBendtrans-113.3-33.9-172.400000116.6
111Y45.9Very low54.7Low194 Ų194104 Ų10476%0.76159%0.59SS**SBendtrans-97.2-8.7-171.5-158.2-100.3000113.5
112M50Low56.2Low116 Ų116103.1 Ų103.157%0.57159%0.593SS**SBendtrans-107.2-2.6-174.4-71-74.9110.900114.1Y116M112-Y116 WeakPolarHBondContact O-CB 3.33Å
113H49.5Very low57.8Low130 Ų130105.4 Ų105.460%0.60258%0.582SS**SBendtrans-99.9-36.2-171.6-14869.3000114.2T117H113-T117 WeakPolarHBondContact O-CB 3.38Å; H113-T117 PolarHBondContact O-N 3.46Å; H113-T117 PolarHBondContact O-OG1 3.48Å
114N54.9Low59.5Low118 Ų118104.8 Ų104.863%0.63158%0.578SS**Hα-helixtrans-90.2-46.2-169-57.5-9.1000112.1A118N114-A118 WeakPolarHBondContact O-CB 3.1Å; N114-A118 PolarHBondContact O-N 2.8Å
115N57.6Low61.2Low118 Ų118106.6 Ų106.663%0.63158%0.576SS**Hα-helixtrans-79.8-33.3-179.7-66.6-50000112.3L119N115-L119 WeakPolarHBondContact O-CB 3.1Å; N115-L119 PolarHBondContact O-N 3.47Å
116Y62.6Low63Low136 Ų136101.5 Ų101.553%0.53355%0.553SS.*Hα-helixtrans-69.6-42.5176.6-168.9-112.8000111.3M112 L119 L120M112-Y116 WeakPolarHBondContact O-CB 3.33Å; Y116-L119 PolarHBondContact O-N 2.83Å; Y116-L120 HydrophobicContact CD1-CD1 3.57Å; Y116-L120 HydrophobicContact CD1-CG 4.14Å; Y116-L120 HydrophobicContact CE1-CD1 3.29Å; Y116-L120 HydrophobicContact CE1-CD2 4.47Å; Y116-L120 HydrophobicContact CE1-CG 3.96Å; Y116-L120 HydrophobicContact CE2-CG 4.4Å; Y116-L120 HydrophobicContact CG-CD1 4.35Å; Y116-L120 HydrophobicContact CG-CG 4.45Å; Y116-L120 WeakPolarHBondContact O-CB 3.46Å; Y116-L120 WeakPolarHBondContact O-CG 3.05Å; Y116-L120 PolarHBondContact O-N 2.94Å
117T69.2Low64.7Low78 Ų78103.1 Ų103.148%0.47955%0.549SS..Hα-helixtrans-67-40.2177.1-55.70000111.8H113 G121H113-T117 WeakPolarHBondContact O-CB 3.38Å; H113-T117 PolarHBondContact O-N 3.46Å; H113-T117 PolarHBondContact O-OG1 3.48Å; T117-G121 PolarHBondContact O-N 2.85Å
118A72.9Confident66.6Low58 Ų58106.6 Ų106.648%0.47955%0.55SS.*Hα-helixtrans-65.4-44.5174.600000112N114 G121 V122N114-A118 WeakPolarHBondContact O-CB 3.1Å; N114-A118 PolarHBondContact O-N 2.8Å; A118-G121 PolarHBondContact O-N 2.86Å; A118-V122 WeakPolarHBondContact O-CG2 3.47Å; A118-V122 PolarHBondContact O-N 3.2Å
119L74.6Confident68.6Low97 Ų97105.8 Ų105.851%0.50854%0.543SS..Hα-helixtrans-64.6-42.6177.3-17371000111.7N115 Y116 G121 V122 W123N115-L119 WeakPolarHBondContact O-CB 3.1Å; N115-L119 PolarHBondContact O-N 3.47Å; Y116-L119 PolarHBondContact O-N 2.83Å; L119-G121 VanDerWaalsContact C-N 3.33Å; L119-V122 PolarHBondContact O-N 2.98Å; L119-W123 VanDerWaalsContact O-CB 3.28Å; L119-W123 WeakPolarHBondContact O-CB 3.42Å; L119-W123 PolarHBondContact O-N 3.16Å
120L76.2Confident70.4Confident61 Ų61101.6 Ų101.632%0.31953%0.526SS..Hα-helixtrans-61.7-42.4172.8-78.8-179000111.2Y116 W123 I124Y116-L120 HydrophobicContact CD1-CD1 3.57Å; Y116-L120 HydrophobicContact CD1-CG 4.14Å; Y116-L120 HydrophobicContact CE1-CD1 3.29Å; Y116-L120 HydrophobicContact CE1-CD2 4.47Å; Y116-L120 HydrophobicContact CE1-CG 3.96Å; Y116-L120 HydrophobicContact CE2-CG 4.4Å; Y116-L120 HydrophobicContact CG-CD1 4.35Å; Y116-L120 HydrophobicContact CG-CG 4.45Å; Y116-L120 WeakPolarHBondContact O-CB 3.46Å; Y116-L120 WeakPolarHBondContact O-CG 3.05Å; Y116-L120 PolarHBondContact O-N 2.94Å; L120-W123 PolarHBondContact O-N 3.03Å; L120-I124 HydrophobicContact CB-CD1 4.46Å; L120-I124 WeakPolarHBondContact O-CB 3.4Å; L120-I124 WeakPolarHBondContact O-CD1 3.04Å; L120-I124 WeakPolarHBondContact O-CG1 3.28Å; L120-I124 PolarHBondContact O-N 3.24Å
121G79.1Confident71.9Confident18 Ų18101.4 Ų101.419%0.18651%0.512CS..Hα-helixtrans-57-57.1174.300000111T117 A118 L119 W123 I124 Y125T117-G121 PolarHBondContact O-N 2.85Å; A118-G121 PolarHBondContact O-N 2.86Å; L119-G121 VanDerWaalsContact C-N 3.33Å; G121-W123 PolarHBondContact O-N 3.45Å; G121-I124 PolarHBondContact O-N 2.96Å; G121-Y125 WeakPolarHBondContact O-CB 3.49Å; G121-Y125 WeakPolarHBondContact O-CD2 3.29Å; G121-Y125 PolarHBondContact O-N 3.46Å
122V80.8Confident73.7Confident108 Ų10896.3 Ų96.366%0.65550%0.498SS*.Hα-helixtrans-56.3-39.1178.3174.90000111.4A118 L119 G126A118-V122 WeakPolarHBondContact O-CG2 3.47Å; A118-V122 PolarHBondContact O-N 3.2Å; L119-V122 PolarHBondContact O-N 2.98Å; V122-G126 WeakPolarHBondContact O-CA 3.45Å; V122-G126 PolarHBondContact O-N 2.85Å
123W81.3Confident75.4Confident142 Ų14295.8 Ų95.854%0.53850%0.497SS..Hα-helixtrans-68.4-46.2178.4-165.974.1000112.6L119 L120 G121 G126 F127L119-W123 VanDerWaalsContact O-CB 3.28Å; L119-W123 WeakPolarHBondContact O-CB 3.42Å; L119-W123 PolarHBondContact O-N 3.16Å; L120-W123 PolarHBondContact O-N 3.03Å; G121-W123 PolarHBondContact O-N 3.45Å; W123-G126 PolarHBondContact O-N 3.49Å; W123-F127 WeakPolarHBondContact O-CB 3.4Å; W123-F127 PolarHBondContact O-N 3.03Å
124I81.1Confident76.8Confident100 Ų10092.9 Ų92.951%0.51349%0.488SS..Hα-helixtrans-64.5-46.7178.4-68.1163.1000110.3L120 G121 F127 F128L120-I124 HydrophobicContact CB-CD1 4.46Å; L120-I124 WeakPolarHBondContact O-CB 3.4Å; L120-I124 WeakPolarHBondContact O-CD1 3.04Å; L120-I124 WeakPolarHBondContact O-CG1 3.28Å; L120-I124 PolarHBondContact O-N 3.24Å; G121-I124 PolarHBondContact O-N 2.96Å; I124-F127 PolarHBondContact O-N 2.86Å; I124-F128 WeakPolarHBondContact O-CB 3.2Å; I124-F128 PolarHBondContact O-N 2.79Å
125Y85.3Confident78.1Confident174 Ų17492.4 Ų92.468%0.68249%0.485SS*.Hα-helixtrans-65.7-44.8177.3-70.8-62.3000111.8G121 F127 F128 V129G121-Y125 WeakPolarHBondContact O-CB 3.49Å; G121-Y125 WeakPolarHBondContact O-CD2 3.29Å; G121-Y125 PolarHBondContact O-N 3.46Å; Y125-F127 VanDerWaalsContact C-N 3.35Å; Y125-F127 PolarHBondContact O-N 3.34Å; Y125-F128 PolarHBondContact O-N 3.11Å; Y125-V129 WeakPolarHBondContact O-CG2 3.46Å; Y125-V129 PolarHBondContact O-N 3.47Å
126G81.2Confident79.3Confident41 Ų4192 Ų9242%0.42348%0.482SS..Hα-helixtrans-61.8-41.8177.100000112.3V122 W123 V129 L130V122-G126 WeakPolarHBondContact O-CA 3.45Å; V122-G126 PolarHBondContact O-N 2.85Å; W123-G126 PolarHBondContact O-N 3.49Å; G126-V129 PolarHBondContact O-N 3.34Å; G126-L130 WeakPolarHBondContact O-CB 3.14Å; G126-L130 PolarHBondContact O-N 2.94Å
127F79Confident80Confident94 Ų9490.1 Ų90.141%0.41248%0.481SS..Hα-helixtrans-64-41174.8-179.3-96.7000112.2L33 W123 I124 Y125 L130 T131L33-F127 HydrophobicContact CD2-CE2 4.11Å; W123-F127 WeakPolarHBondContact O-CB 3.4Å; W123-F127 PolarHBondContact O-N 3.03Å; I124-F127 PolarHBondContact O-N 2.86Å; Y125-F127 VanDerWaalsContact C-N 3.35Å; Y125-F127 PolarHBondContact O-N 3.34Å; F127-L130 PolarHBondContact O-N 3.33Å; F127-T131 WeakPolarHBondContact O-CB 3.2Å; F127-T131 PolarHBondContact O-N 3.13Å; F127-T131 PolarHBondContact O-OG1 2.9Å
128F79.4Confident80.3Confident123 Ų12391 Ų9154%0.53948%0.483SS..Hα-helixtrans-64.1-47.1177.4-175.7-106.8000111.7I124 Y125 L130 T131 L132I124-F128 WeakPolarHBondContact O-CB 3.2Å; I124-F128 PolarHBondContact O-N 2.79Å; Y125-F128 PolarHBondContact O-N 3.11Å; F128-L130 VanDerWaalsContact C-N 3.34Å; F128-L130 PolarHBondContact O-N 2.88Å; F128-T131 PolarHBondContact O-N 3.49Å; F128-L132 HydrophobicContact CD1-CD1 3.81Å; F128-L132 HydrophobicContact CD1-CG 4.37Å; F128-L132 HydrophobicContact CE1-CD1 3.33Å; F128-L132 HydrophobicContact CE1-CG 4.07Å; F128-L132 HydrophobicContact CE2-CG 4.48Å; F128-L132 HydrophobicContact CZ-CD1 3.75Å; F128-L132 HydrophobicContact CZ-CD2 4.27Å; F128-L132 HydrophobicContact CZ-CG 4.12Å; F128-L132 WeakPolarHBondContact O-CG 3.46Å; F128-L132 PolarHBondContact O-N 3.41Å
129V85.6Confident80.7Confident91 Ų9195.8 Ų95.855%0.55249%0.489SS*.Hα-helixtrans-60.7-43.4175.7173.10000111.2Y125 G126 T131 L132 L133Y125-V129 WeakPolarHBondContact O-CG2 3.46Å; Y125-V129 PolarHBondContact O-N 3.47Å; G126-V129 PolarHBondContact O-N 3.34Å; V129-T131 VanDerWaalsContact C-N 3.34Å; V129-T131 PolarHBondContact O-N 3.08Å; V129-L132 PolarHBondContact O-N 2.9Å; V129-L133 WeakPolarHBondContact O-CB 3.45Å; V129-L133 PolarHBondContact O-N 3.25Å
130L83Confident80.7Confident76 Ų7696.6 Ų96.640%0.39849%0.487SS..Hα-helixtrans-62.2-42.6176.2-177.765.4000111.7L33 G126 F127 F128 L133 V134L33-L130 HydrophobicContact CD1-CD2 3.54Å; G126-L130 WeakPolarHBondContact O-CB 3.14Å; G126-L130 PolarHBondContact O-N 2.94Å; F127-L130 PolarHBondContact O-N 3.33Å; F128-L130 VanDerWaalsContact C-N 3.34Å; F128-L130 PolarHBondContact O-N 2.88Å; L130-L133 PolarHBondContact O-N 3.21Å; L130-V134 WeakPolarHBondContact O-CG2 3.02Å; L130-V134 PolarHBondContact O-N 3.46Å
131T80.4Confident80.2Confident57 Ų5794.5 Ų94.535%0.3548%0.477SS..Hα-helixtrans-63.2-46.2177.5-59.50000110.7F127 F128 V129 L133 V134 L135F127-T131 WeakPolarHBondContact O-CB 3.2Å; F127-T131 PolarHBondContact O-N 3.13Å; F127-T131 PolarHBondContact O-OG1 2.9Å; F128-T131 PolarHBondContact O-N 3.49Å; V129-T131 VanDerWaalsContact C-N 3.34Å; V129-T131 PolarHBondContact O-N 3.08Å; T131-L133 VanDerWaalsContact C-N 3.33Å; T131-L133 PolarHBondContact O-N 2.81Å; T131-V134 PolarHBondContact O-N 3.3Å; T131-L135 WeakPolarHBondContact O-CB 3.12Å; T131-L135 PolarHBondContact O-N 2.9Å
132L84.9Confident79.7Confident87 Ų8796.1 Ų96.146%0.45549%0.489SS..Hα-helixtrans-61-40.7175.6-72179.8000112F128 V129 L135 D136F128-L132 HydrophobicContact CD1-CD1 3.81Å; F128-L132 HydrophobicContact CD1-CG 4.37Å; F128-L132 HydrophobicContact CE1-CD1 3.33Å; F128-L132 HydrophobicContact CE1-CG 4.07Å; F128-L132 HydrophobicContact CE2-CG 4.48Å; F128-L132 HydrophobicContact CZ-CD1 3.75Å; F128-L132 HydrophobicContact CZ-CD2 4.27Å; F128-L132 HydrophobicContact CZ-CG 4.12Å; F128-L132 WeakPolarHBondContact O-CG 3.46Å; F128-L132 PolarHBondContact O-N 3.41Å; V129-L132 PolarHBondContact O-N 2.9Å; L132-L135 PolarHBondContact O-N 3.44Å; L132-D136 VanDerWaalsContact O-CB 3.25Å; L132-D136 WeakPolarHBondContact O-CB 3.26Å; L132-D136 PolarHBondContact O-N 3.19Å
133L85.8Confident79.2Confident104 Ų10497.5 Ų97.555%0.54549%0.49SS..Hα-helixtrans-64.7-42.6177.2-169.5157.3000111.6V129 L130 T131 D136 L137V129-L133 WeakPolarHBondContact O-CB 3.45Å; V129-L133 PolarHBondContact O-N 3.25Å; L130-L133 PolarHBondContact O-N 3.21Å; T131-L133 VanDerWaalsContact C-N 3.33Å; T131-L133 PolarHBondContact O-N 2.81Å; L133-D136 PolarHBondContact O-N 3.23Å; L133-L137 VanDerWaalsContact O-CB 3.31Å; L133-L137 WeakPolarHBondContact O-CB 2.77Å; L133-L137 PolarHBondContact O-N 2.84Å
134V78.5Confident78.6Confident69 Ų6994.2 Ų94.242%0.41848%0.483SS..Hα-helixtrans-65.1-41.5174.4171.40000110.8L130 T131 L137 L138L130-V134 WeakPolarHBondContact O-CG2 3.02Å; L130-V134 PolarHBondContact O-N 3.46Å; T131-V134 PolarHBondContact O-N 3.3Å; V134-L137 PolarHBondContact O-N 2.81Å; V134-L138 HydrophobicContact CG1-CD1 3.78Å; V134-L138 HydrophobicContact CG1-CG 4.28Å; V134-L138 VanDerWaalsContact O-CB 3.25Å; V134-L138 WeakPolarHBondContact O-CB 3.2Å; V134-L138 WeakPolarHBondContact O-CG 3.33Å; V134-L138 PolarHBondContact O-N 3.03Å
135L81Confident77.5Confident108 Ų10897.7 Ų97.757%0.56549%0.49SS*.Hα-helixtrans-66.2-39.7179.2-14877.3000111.6T131 L132 L138 Y139T131-L135 WeakPolarHBondContact O-CB 3.12Å; T131-L135 PolarHBondContact O-N 2.9Å; L132-L135 PolarHBondContact O-N 3.44Å; L135-L138 PolarHBondContact O-N 2.91Å; L135-Y139 WeakPolarHBondContact O-CB 3Å; L135-Y139 PolarHBondContact O-N 2.02Å
136D83Confident76.2Confident109 Ų10995.9 Ų95.958%0.58349%0.493SS*.Hα-helixtrans-64.8-48174.8-176.376000111.1L132 L133 L138 Y139 Y140L132-D136 VanDerWaalsContact O-CB 3.25Å; L132-D136 WeakPolarHBondContact O-CB 3.26Å; L132-D136 PolarHBondContact O-N 3.19Å; L133-D136 PolarHBondContact O-N 3.23Å; D136-L138 VanDerWaalsContact C-N 3.29Å; D136-L138 PolarHBondContact O-N 2.04Å; D136-Y139 PolarHBondContact O-N 3.48Å; D136-Y140 VanDerWaalsContact O-CB 3.27Å; D136-Y140 WeakPolarHBondContact O-CB 3.02Å; D136-Y140 PolarHBondContact O-N 3.3Å
137L76.8Confident75Confident97 Ų9797 Ų9751%0.50849%0.488SS..Hα-helixtrans-60.2-41.3174.5-176.865000111.4L133 V134 S141L133-L137 VanDerWaalsContact O-CB 3.31Å; L133-L137 WeakPolarHBondContact O-CB 2.77Å; L133-L137 PolarHBondContact O-N 2.84Å; V134-L137 PolarHBondContact O-N 2.81Å; L137-S141 WeakPolarHBondContact O-CB 3.17Å; L137-S141 PolarHBondContact O-N 3.45Å; L137-S141 PolarHBondContact O-OG 2.82Å
138L75.9Confident74Confident98 Ų9894 Ų9451%0.51348%0.479SS..Hα-helixtrans-66.8-43.5176.6-78170.9000111.6V134 L135 D136 S141 A142V134-L138 HydrophobicContact CG1-CD1 3.78Å; V134-L138 HydrophobicContact CG1-CG 4.28Å; V134-L138 VanDerWaalsContact O-CB 3.25Å; V134-L138 WeakPolarHBondContact O-CB 3.2Å; V134-L138 WeakPolarHBondContact O-CG 3.33Å; V134-L138 PolarHBondContact O-N 3.03Å; L135-L138 PolarHBondContact O-N 2.91Å; D136-L138 VanDerWaalsContact C-N 3.29Å; D136-L138 PolarHBondContact O-N 2.04Å; L138-S141 VanDerWaalsContact CA-OG 3.31Å; L138-S141 WeakPolarHBondContact CA-OG 2.99Å; L138-S141 CarbonylContact O-C 3.58Å; L138-S141 PolarHBondContact O-N 2.79Å; L138-S141 PolarHBondContact O-OG 3.07Å; L138-A142 VanDerWaalsContact O-CB 3.31Å; L138-A142 WeakPolarHBondContact O-CB 3.38Å; L138-A142 PolarHBondContact O-N 3.07Å
139Y80.9Confident73Confident157 Ų15793.6 Ų93.662%0.61648%0.477SS*.Hα-helixtrans-64.6-47.2178.5-180-100.5000111.3L135 D136 S141 A142 M143L135-Y139 WeakPolarHBondContact O-CB 3Å; L135-Y139 PolarHBondContact O-N 2.02Å; D136-Y139 PolarHBondContact O-N 3.48Å; Y139-S141 VanDerWaalsContact C-N 3.3Å; Y139-S141 PolarHBondContact O-N 3.34Å; Y139-A142 PolarHBondContact O-N 2.91Å; Y139-A142 VanDerWaalsContact O-N 3.15Å; Y139-M143 PolarHBondContact O-N 2.64Å
140Y75.2Confident71.8Confident115 Ų11593.5 Ų93.545%0.45148%0.476SS..Hα-helixtrans-60-41.2173.2-176.3-98.7000111.4D136 A142 M143 N144 I147D136-Y140 VanDerWaalsContact O-CB 3.27Å; D136-Y140 WeakPolarHBondContact O-CB 3.02Å; D136-Y140 PolarHBondContact O-N 3.3Å; Y140-A142 VanDerWaalsContact C-N 3.33Å; Y140-A142 PolarHBondContact O-N 3.39Å; Y140-M143 PolarHBondContact O-N 2.79Å; Y140-N144 PolarHBondContact O-N 3.19Å; Y140-I147 HydrophobicContact CE1-CG2 4.28Å
141S65.2Low70.7Confident16 Ų1697 Ų9711%0.11249%0.485CS..Hα-helixtrans-67.7-32175.977.70000113.5L137 L138 Y139 N144 Y145 C148L137-S141 WeakPolarHBondContact O-CB 3.17Å; L137-S141 PolarHBondContact O-N 3.45Å; L137-S141 PolarHBondContact O-OG 2.82Å; L138-S141 VanDerWaalsContact CA-OG 3.31Å; L138-S141 WeakPolarHBondContact CA-OG 2.99Å; L138-S141 CarbonylContact O-C 3.58Å; L138-S141 PolarHBondContact O-N 2.79Å; L138-S141 PolarHBondContact O-OG 3.07Å; Y139-S141 VanDerWaalsContact C-N 3.3Å; Y139-S141 PolarHBondContact O-N 3.34Å; S141-N144 CarbonylContact O-C 3.58Å; S141-Y145 WeakPolarHBondContact O-CA 3.43Å; S141-Y145 PolarHBondContact O-N 3.22Å; S141-C148 VanDerWaalsContact CB-SG 3.51Å
142A68.5Low69.8Low53 Ų5398.4 Ų98.444%0.43849%0.49SS..Hα-helixtrans-74.4-33.9177.600000111.2L138 Y139 Y140 Y145L138-A142 VanDerWaalsContact O-CB 3.31Å; L138-A142 WeakPolarHBondContact O-CB 3.38Å; L138-A142 PolarHBondContact O-N 3.07Å; Y139-A142 PolarHBondContact O-N 2.91Å; Y139-A142 VanDerWaalsContact O-N 3.15Å; Y140-A142 VanDerWaalsContact C-N 3.33Å; Y140-A142 PolarHBondContact O-N 3.39Å; A142-Y145 HydrophobicContact CB-CE2 4.3Å; A142-Y145 VanDerWaalsContact O-CD2 3.22Å; A142-Y145 WeakPolarHBondContact O-CD2 3.1Å; A142-Y145 WeakPolarHBondContact O-CE2 2.93Å
143M70.6Confident68.4Low137 Ų13797.4 Ų97.468%0.67549%0.488SS*.Hα-helixtrans-75.2-32.2171.6-95.9-58.8-171.800113Y139 Y140Y139-M143 PolarHBondContact O-N 2.64Å; Y140-M143 PolarHBondContact O-N 2.79Å
144N68.4Low67.1Low72 Ų72102.8 Ų102.839%0.38550%0.501SS..  trans-128.266.9-179.3-75.7-39.5000111.9Y140 S141 D146 I147 C148Y140-N144 PolarHBondContact O-N 3.19Å; S141-N144 CarbonylContact O-C 3.58Å; N144-D146 PolarHBondContact O-N 3.13Å; N144-D146 VanDerWaalsContact O-N 3.09Å; N144-I147 HydrophobicContact CB-CB 4.33Å; N144-I147 HydrophobicContact CB-CD1 4.26Å; N144-I147 HydrophobicContact CB-CG1 4.38Å; N144-I147 PolarHBondContact O-N 3.26Å; N144-C148 PolarHBondContact O-N 2.87Å
145Y59Low65.9Low173 Ų173110 Ų11068%0.67852%0.521SS*.Hα-helixtrans-53.7-31.4-178.4-98.6-89.1000113.9S141 A142 I147 K149S141-Y145 WeakPolarHBondContact O-CA 3.43Å; S141-Y145 PolarHBondContact O-N 3.22Å; A142-Y145 HydrophobicContact CB-CE2 4.3Å; A142-Y145 VanDerWaalsContact O-CD2 3.22Å; A142-Y145 WeakPolarHBondContact O-CD2 3.1Å; A142-Y145 WeakPolarHBondContact O-CE2 2.93Å; Y145-I147 PolarHBondContact O-N 2.84Å; Y145-K149 PolarHBondContact O-N 3.42Å
146D58.1Low64.5Low137 Ų137107.7 Ų107.773%0.73352%0.523SS*.Hα-helixtrans-67.9-33.4-179.9-68.9-50.2000113.1N144N144-D146 PolarHBondContact O-N 3.13Å; N144-D146 VanDerWaalsContact O-N 3.09Å
147I56.8Low63.2Low64 Ų64107 Ų10733%0.32852%0.518SS..Hα-helixtrans-78.9-36.7-179.4-65.4-175.1000110.4Y140 N144 Y145 K149 V150 Y151Y140-I147 HydrophobicContact CE1-CG2 4.28Å; N144-I147 HydrophobicContact CB-CB 4.33Å; N144-I147 HydrophobicContact CB-CD1 4.26Å; N144-I147 HydrophobicContact CB-CG1 4.38Å; N144-I147 PolarHBondContact O-N 3.26Å; Y145-I147 PolarHBondContact O-N 2.84Å; I147-K149 VanDerWaalsContact C-N 3.28Å; I147-K149 PolarHBondContact O-N 2.01Å; I147-V150 PolarHBondContact O-N 2.85Å; I147-Y151 HydrophobicContact CG2-CD2 3.56Å; I147-Y151 HydrophobicContact CG2-CE2 3.3Å; I147-Y151 VanDerWaalsContact O-CD2 3.26Å; I147-Y151 WeakPolarHBondContact O-CD2 3.43Å; I147-Y151 PolarHBondContact O-N 2.84Å; I147-Y151 VanDerWaalsContact O-N 3.09Å
148C56.8Low62Low32 Ų32110.2 Ų110.222%0.21653%0.53CS..Hα-helixtrans-58.7-38.9175.3-171.10000112.6S141 N144 V150 Y151 L152S141-C148 VanDerWaalsContact CB-SG 3.51Å; N144-C148 PolarHBondContact O-N 2.87Å; C148-V150 VanDerWaalsContact C-N 3.29Å; C148-V150 PolarHBondContact O-N 3.35Å; C148-Y151 PolarHBondContact O-N 3.13Å; C148-L152 VanDerWaalsContact O-CB 3.32Å; C148-L152 WeakPolarHBondContact O-CB 3.2Å; C148-L152 VanDerWaalsContact O-CG 3.26Å; C148-L152 WeakPolarHBondContact O-CG 3.46Å; C148-L152 PolarHBondContact O-N 2.94Å; C148-L152 VanDerWaalsContact SG-CD1 3.6Å
149K58.8Low60.9Low114 Ų114108.5 Ų108.550%0.49654%0.536SS..Hα-helixtrans-60.5-36.7174.8174.4166177.1-178.20112.6Y145 I147 T153 M162Y145-K149 PolarHBondContact O-N 3.42Å; I147-K149 VanDerWaalsContact C-N 3.28Å; I147-K149 PolarHBondContact O-N 2.01Å; K149-T153 WeakPolarHBondContact O-CB 3.36Å; K149-T153 WeakPolarHBondContact O-CG2 3.43Å; K149-T153 PolarHBondContact O-N 3.21Å; K149-T153 VanDerWaalsContact O-N 3.09Å; K149-T153 PolarHBondContact O-OG1 2.99Å; K149-M162 HydrophobicContact CD-CE 3.52Å; K149-M162 HydrophobicContact CG-CE 3.76Å
150V59.9Low59.4Low89 Ų89112.3 Ų112.354%0.53955%0.55SS..Hα-helixtrans-74-38.8178.3179.60000111.6I147 C148 T153 R154I147-V150 PolarHBondContact O-N 2.85Å; C148-V150 VanDerWaalsContact C-N 3.29Å; C148-V150 PolarHBondContact O-N 3.35Å; V150-T153 VanDerWaalsContact CA-OG1 3.27Å; V150-T153 WeakPolarHBondContact CA-OG1 2.8Å; V150-T153 PolarHBondContact O-OG1 3.12Å; V150-R154 WeakPolarHBondContact O-CB 3.42Å; V150-R154 PolarHBondContact O-N 3.27Å; V150-R154 VanDerWaalsContact O-N 3.1Å
151Y60.2Low58.3Low149 Ų149114.5 Ų114.558%0.58456%0.557SS**Hα-helixtrans-71.3-40176.1-75.9-71.8000112.6I147 C148 T153 R154 W155I147-Y151 HydrophobicContact CG2-CD2 3.56Å; I147-Y151 HydrophobicContact CG2-CE2 3.3Å; I147-Y151 VanDerWaalsContact O-CD2 3.26Å; I147-Y151 WeakPolarHBondContact O-CD2 3.43Å; I147-Y151 PolarHBondContact O-N 2.84Å; I147-Y151 VanDerWaalsContact O-N 3.09Å; C148-Y151 PolarHBondContact O-N 3.13Å; Y151-T153 VanDerWaalsContact C-N 3.34Å; Y151-T153 PolarHBondContact O-N 3.05Å; Y151-R154 PolarHBondContact O-N 3.4Å; Y151-W155 PolarHBondContact O-N 2.86Å
152L61.8Low57.5Low86 Ų86119.2 Ų119.245%0.4558%0.579SS.*Hα-helixtrans-65.5-34.8175.1-73.8169.5000112.9C148 I157C148-L152 VanDerWaalsContact O-CB 3.32Å; C148-L152 WeakPolarHBondContact O-CB 3.2Å; C148-L152 VanDerWaalsContact O-CG 3.26Å; C148-L152 WeakPolarHBondContact O-CG 3.46Å; C148-L152 PolarHBondContact O-N 2.94Å; C148-L152 VanDerWaalsContact SG-CD1 3.6Å; L152-I157 HydrophobicContact CD2-CD1 4.16Å
153T55Low56.7Low67 Ų67126 Ų12641%0.41160%0.598SS.*Hα-helixtrans-71.6-30.8174.544.80000112.1K149 V150 Y151K149-T153 WeakPolarHBondContact O-CB 3.36Å; K149-T153 WeakPolarHBondContact O-CG2 3.43Å; K149-T153 PolarHBondContact O-N 3.21Å; K149-T153 VanDerWaalsContact O-N 3.09Å; K149-T153 PolarHBondContact O-OG1 2.99Å; V150-T153 VanDerWaalsContact CA-OG1 3.27Å; V150-T153 WeakPolarHBondContact CA-OG1 2.8Å; V150-T153 PolarHBondContact O-OG1 3.12Å; Y151-T153 VanDerWaalsContact C-N 3.34Å; Y151-T153 PolarHBondContact O-N 3.05Å
154R58.2Low55.5Low216 Ų216126.9 Ų126.982%0.81560%0.601SS**Hα-helixtrans-78.3-26.5176.2-167.1162.3-179.3154.7-1.9113.9V150 Y151 G156V150-R154 WeakPolarHBondContact O-CB 3.42Å; V150-R154 PolarHBondContact O-N 3.27Å; V150-R154 VanDerWaalsContact O-N 3.1Å; Y151-R154 PolarHBondContact O-N 3.4Å; R154-G156 PolarHBondContact O-N 2.69Å
155W54Low54.4Low222 Ų222129.3 Ų129.384%0.84161%0.614SS**THydrogen-bonded Turntrans-80.410.9173.7-95.724.5000114.9Y151 I157Y151-W155 PolarHBondContact O-N 2.86Å; W155-I157 PolarHBondContact O-N 3.12Å
156G51.4Low53.8Low59 Ų59126.8 Ų126.861%0.60862%0.619SS**THydrogen-bonded Turntrans78.319.7167.100000115.5R154 Q158R154-G156 PolarHBondContact O-N 2.69Å; G156-Q158 PolarHBondContact O-N 2.91Å
157I54.7Low53.3Low93 Ų93131 Ų13148%0.47763%0.625SS.*  trans-80.259.3164.1-49.1177.7000108.4L152 W155L152-I157 HydrophobicContact CD2-CD1 4.16Å; W155-I157 PolarHBondContact O-N 3.12Å
158Q52.8Low52.7Low165 Ų165139.2 Ų139.277%0.77165%0.651SS**  trans-80.2131.8167.9-95.7-75.1-9.500109.2G156G156-Q158 PolarHBondContact O-N 2.91Å
159G53.3Low52Low62 Ų62149.3 Ų149.364%0.63969%0.685SS**SBendtrans94.779154.400000116.1
160R49.3Very low51.3Low237 Ų237146.4 Ų146.489%0.89469%0.687SS**SBend176.7-16.7114.7-144.7175.4-85.4-129.11.4113.2
161W52.5Low50.2Low162 Ų162148.9 Ų148.961%0.61470%0.697SS**SBendtrans-87.9-29.6-173-165.978.5000114.4M21 K163M21-W161 HydrophobicContact CE-CD2 4.13Å; M21-W161 VanDerWaalsContact CE-CE2 3.44Å; M21-W161 HydrophobicContact CE-CE3 4.3Å; M21-W161 HydrophobicContact CE-CH2 3.25Å; M21-W161 HydrophobicContact CE-CZ2 3Å; M21-W161 HydrophobicContact CE-CZ3 3.89Å; M21-W161 HydrophobicContact SD-CH2 4.19Å; M21-W161 HydrophobicContact SD-CZ2 3.35Å; M21-W161 WeakPolarHBondContact SD-CZ2 3.02Å; W161-K163 VanDerWaalsContact C-N 3.35Å; W161-K163 PolarHBondContact O-N 3.3Å
162M48.4Very low49.3Very low114 Ų114148.5 Ų148.556%0.56271%0.713SS**SBendtrans-79.6-7.6-179.8-88.5-167.9161.400115.8K149 Q164K149-M162 HydrophobicContact CD-CE 3.52Å; K149-M162 HydrophobicContact CG-CE 3.76Å; M162-Q164 PolarHBondContact O-N 3.4Å
163K50.4Low48.4Very low195 Ų195148.3 Ų148.385%0.84872%0.724SS**  trans-88.455.7169.3-72.2-165.4179.1-1730110.5W161W161-K163 VanDerWaalsContact C-N 3.35Å; W161-K163 PolarHBondContact O-N 3.3Å
164Q46.5Very low47.7Very low156 Ų156156.2 Ų156.273%0.72975%0.746SS**SBendtrans-97.8110153.5-80.7-168.2-14.600106.5M162 P166M162-Q164 PolarHBondContact O-N 3.4Å; Q164-P166 WeakPolarHBondContact O-CD 3.5Å
165D43.9Very low46.7Very low123 Ų123150.1 Ų150.166%0.65874%0.743SS**  trans-46.2121.9-177-71.1-68.9000111.7R167 R168D165-R167 HydrophobicContact CB-CB 4.39Å; D165-R167 PolarHBondContact O-N 2.88Å; D165-R168 PolarHBondContact O-N 3.49Å
166P47.6Very low46Very low121 Ų121145.3 Ų145.379%0.78674%0.74SS**G310 helixtrans-57.3-15171.9-22.431.9000113.1Q164 R168Q164-P166 WeakPolarHBondContact O-CD 3.5Å; P166-R168 VanDerWaalsContact C-N 3.3Å; P166-R168 PolarHBondContact O-N 2.87Å
167R46Very low45.3Very low226 Ų226153.7 Ų153.785%0.85375%0.753SS**G310 helixtrans-69.9-18.4179.7-67.8-71.8-148.3171.86.3114.1D165D165-R167 HydrophobicContact CB-CB 4.39Å; D165-R167 PolarHBondContact O-N 2.88Å
168R44.3Very low44.7Very low235 Ų235155.8 Ų155.889%0.88777%0.772SS**G310 helixtrans-86.9-11.4-174.6-158.7172.9-179.9-165.30.3114.4D165 P166D165-R168 PolarHBondContact O-N 3.49Å; P166-R168 VanDerWaalsContact C-N 3.3Å; P166-R168 PolarHBondContact O-N 2.87Å
169W42Very low44.4Very low245 Ų245150.8 Ų150.893%0.92877%0.765SS**SBendtrans-106.6-3.1-178.2-151.3-91.1000114.3
170G44.6Very low43.5Very low52 Ų52156.6 Ų156.654%0.53678%0.776SS.*SBendtrans-94.799.3177.100000112.4
171N37.3Very low42.9Very low141 Ų141150.9 Ų150.975%0.75477%0.77SS**  trans69.2116.4162.9-65.1-53000118.5A173N171-A173 PolarHBondContact O-N 3.28Å
172P40.4Very low42.3Very low142 Ų142147.8 Ų147.892%0.92278%0.779SS**SBendtrans-72.80.4157.4-0.816.3000113.5R174P172-R174 PolarHBondContact O-N 2.95Å
173A42.8Very low41.8Very low82 Ų82148.4 Ų148.468%0.67879%0.791SS**SBendtrans-101.744.3-168.800000114.5N171N171-A173 PolarHBondContact O-N 3.28Å
174R42Very low41.2Very low232 Ų232147.8 Ų147.888%0.87579%0.791SS**  trans-165.974.8153.8-137.6159.3-175.3129.4-2.3112.1P172 P176P172-R174 PolarHBondContact O-N 2.95Å; R174-P176 WeakPolarHBondContact O-CD 3.14Å
175A37Very low40.8Very low89 Ų89146.2 Ų146.274%0.73679%0.794SS**PPolyproline II helixtrans-67.4125.4155.900000108.1R177A175-R177 PolarHBondContact O-N 3.47Å
176P38.3Very low40.8Very low120 Ų120149.5 Ų149.578%0.77981%0.806SS**PPolyproline II helixtrans-66.7116.7166.7-12.227.4000107.9R174R174-P176 WeakPolarHBondContact O-CD 3.14Å
177R37.9Very low40.4Very low236 Ų236149.2 Ų149.289%0.89180%0.804SS**PPolyproline II helixtrans-63.9130163.7-84.4-177.6168.7161.3-3.1107.9A175 G179A175-R177 PolarHBondContact O-N 3.47Å; R177-G179 PolarHBondContact O-N 3.41Å
178P42.2Very low40.5Very low136 Ų136144.2 Ų144.288%0.88380%0.8SS**SBendtrans-72.8109171.528.4-29.4000108.3
179G45Very low40.5Very low60 Ų60139.1 Ų139.162%0.61980%0.798SS**  trans137.478.3175.100000112.6R177R177-G179 PolarHBondContact O-N 3.41Å
180Q35Very low40Very low184 Ų184130.7 Ų130.786%0.8679%0.787SS**  trans-164.1138.2152.9-148.380.7-33.500107.9
181P37.4Very low39.4Very low118 Ų118135 Ų13577%0.76680%0.803SS**PPolyproline II helixtrans-76151.3-163.6-622.7000113.4
182A38.6Very low39.1Very low97 Ų97136 Ų13680%0.80281%0.808SS**PPolyproline II helixtrans-60.8136.5-18000000113.2
183P39.1Very low39.2Very low127 Ų127134.4 Ų134.483%0.82580%0.797SS**PPolyproline II helixtrans-79.9127.2161.7-9.226.8000110.2
184Q38Very low38.6Very low182 Ų182138.9 Ų138.985%0.8580%0.804SS**PPolyproline II helixtrans-56.5151.8177-117.5177.2-14.700113.3
185P37.6Very low38Very low122 Ų122132.1 Ų132.179%0.79280%0.798SS**PPolyproline II helixtrans-80.5133.6172.5-1.219.3000111.7
186Q43.1Very low38.3Very low193 Ų193132.9 Ų132.990%0.90280%0.795SS**  trans-110.6133.6164.9-80.3-174.4-31.100111.1
187P40.8Very low38Very low114 Ų114135.6 Ų135.674%0.7480%0.797SS**  trans-114.5-180164.742.3-31000111.4
188P46.7Very low37.6Very low121 Ų121128 Ų12879%0.78679%0.785SS**  -124.6-152.9-7943.8-24.9000111.4
189P45.7Very low37.1Very low129 Ų129127.1 Ų127.184%0.83878%0.777SS**  -96.8153.7-129.333.8-14000115.9
190G29.7Very low36.5Very low67 Ų67132.3 Ų132.369%0.69179%0.785SS**  trans-154.2113.817500000114.9
191T32.1Very low36.6Very low143 Ų143129.4 Ų129.488%0.87778%0.78SS**  trans44.3112.414041.60000121.1
192L32.8Very low36.4Very low162 Ų162131.6 Ų131.685%0.84878%0.784SS**  trans-48.1158.2146.4-102134.6000110.9
193P42.4Very low36.1Very low108 Ų108138.7 Ų138.770%0.70179%0.79SS**  cis-142.8175.644.531.4-7.5000116.5
194Q29.9Very low35.7Very low177 Ų177135.5 Ų135.583%0.82778%0.78SS**  trans142.6118.2135.9-140.2119.8-7.900113.8
195A28.5Very low35.4Very low89 Ų89134.3 Ų134.374%0.73678%0.78SS**  trans-85.6-169.215900000109.3
196P43.1Very low35.2Very low105 Ų105132.7 Ų132.768%0.68277%0.768SS**  cis-137.6158.9-12.738.6-21.8000114.2
197Q32.2Very low34.9Very low178 Ų178132 Ų13283%0.83276%0.764SS**  trans-163.1115.2154.3-81.2-51.6-73.500108.9
198A29.9Very low34.7Very low77 Ų77132 Ų13264%0.63677%0.767SS**  77.196.895.600000113
199V31.8Very low35.1Very low117 Ų117131.7 Ų131.771%0.70977%0.765SS**  95.2134.879162.30000112.4
200H33.2Very low35.3Very low168 Ų168131 Ų13178%0.77876%0.761SS**  trans86.1129.3177-50.3-52000115.3
201T35.4Very low35.8Very low124 Ų124135 Ų13576%0.76177%0.766SS**  cis-167.8136.820.7-8.60000110.8
202L33.3Very low36.3Very low163 Ų163136.9 Ų136.985%0.85377%0.766SS**  trans62.9127.6136.8-135.173.4000123.5
203R32.1Very low36.6Very low246 Ų246135.4 Ų135.493%0.92876%0.764SS**  trans95.7121143.5-154179.3-172.1-156.40.6115.3
204G31.9Very low36.5Very low60 Ų60140.3 Ų140.362%0.61978%0.775SS**  cis178.2141.40.400000107.2
205D31.9Very low37.2Very low158 Ų158140.3 Ų140.385%0.84578%0.775SS**  trans39.3153.5156.9-58.8-57.8000123.1
206T32.7Very low37.9Very low88 Ų88141.9 Ų141.954%0.5478%0.78SS.*  cis-179.2153.7-25.7-76.20000102.3
207H36.6Very low38.2Very low178 Ų178142.3 Ų142.382%0.82479%0.786SS**  trans104.9108.5158-53.3-72.3000119.4
208S37.2Very low38.9Very low115 Ų115139.6 Ų139.680%0.80479%0.787SS**  trans-107.5-175.9146-55.30000108.5
209P55Low39.5Very low113 Ų113144.6 Ų144.673%0.73483%0.828SS**  -110.3-159.6-73.933.5-14.2000110.4
210P49.7Very low39.9Very low115 Ų115146 Ų14675%0.74783%0.834SS**  -154167.292.737.4-16.6000118.2
211L40.3Very low40.2Very low152 Ų152144.8 Ų144.880%0.79684%0.837SS**  trans-29141.4159.4-105.570.4000116.2
212M41.5Very low40.5Very low181 Ų181145.9 Ų145.989%0.89284%0.841SS**  trans-135.3132.8151.4-79.5-64.5170.600111.6
213T39.3Very low40.9Very low131 Ų131144.9 Ų144.980%0.80484%0.84SS**  trans-86.4139.8-171.2-21.70000110.9
214F41Very low41.5Very low211 Ų211138.6 Ų138.693%0.92584%0.835SS**  trans-77.4129.2170.6-95.5-96.4000110.6
215Q45.1Very low42.1Very low178 Ų178143.9 Ų143.983%0.83285%0.849SS**  trans-108.3118.3171.2-152.8-168.134.700108.7
216S42.8Very low42.8Very low121 Ų121142.9 Ų142.985%0.84685%0.849SS**  trans-85.1130.6166.6-74.30000109.3
217S48.9Very low43.6Very low114 Ų114147.1 Ų147.180%0.79787%0.873SS**  trans-135.4122.6161-91.20000109.6
218S47.3Very low44.2Very low122 Ų122144.5 Ų144.585%0.85388%0.877SS**  trans-96.6135.5164.449.60000109.2
219A42.2Very low44.8Very low181 Ų181147.2 Ų147.2100%1.49688%0.884SS**  trans-158.40152.600000108.2

Retrieved 219 of 219 residues in 142 ms (Link to these results)