A0A061IKF0_CRIGR Loading...

Inactive ribonuclease-like protein 10

Secreted proximal epididymal protein required for post-testicular sperm maturation and male fertility. May be involved in sperm adhesion to the egg zona pellucida. Does not have ribonuclease activity.

AlphaFold DB , UniProt , Accession A0A061IKF0, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Rnase10, Length 213 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M58.9Low73.5Confident217 Ų217124.1 Ų124.1100%1.06963%0.632SS**  0-23.90-78.4178.6171.200115.1T4M1-T4 PolarHBondContact O-OG1 2.94Å
2K60.3Low73.9Confident183 Ų183122.2 Ų122.280%0.79662%0.621SS**Hα-helixtrans-76.7-39.6178.4-79.8173.7171171.60114.5T4 L5 V6K2-T4 PolarHBondContact O-N 3.43Å; K2-L5 PolarHBondContact O-N 3.22Å; K2-V6 WeakPolarHBondContact O-CG2 3.35Å; K2-V6 PolarHBondContact O-N 3.1Å
3V62.3Low74.4Confident125 Ų125120 Ų12076%0.75861%0.611SS**Hα-helixtrans-66-38.3-177.5-178.20000112V6 H7V3-V6 PolarHBondContact O-N 3Å; V3-H7 WeakPolarHBondContact O-CB 3.44Å; V3-H7 PolarHBondContact O-N 3.21Å
4T73.2Confident74.5Confident91 Ų91114.4 Ų114.456%0.55858%0.583SS**Hα-helixtrans-66-37.2176.247.50000112.1M1 K2 H7 M8M1-T4 PolarHBondContact O-OG1 2.94Å; K2-T4 PolarHBondContact O-N 3.43Å; T4-H7 PolarHBondContact O-N 3.16Å; T4-M8 WeakPolarHBondContact O-CB 3.24Å; T4-M8 WeakPolarHBondContact O-CG 3.34Å; T4-M8 PolarHBondContact O-N 3.43Å
5L76.3Confident74.2Confident110 Ų110114.3 Ų114.358%0.57658%0.583SS**Hα-helixtrans-67.1-44.9177.9-170.476.8000111.6K2 H7 M8 L9K2-L5 PolarHBondContact O-N 3.22Å; L5-H7 VanDerWaalsContact C-N 3.32Å; L5-H7 PolarHBondContact O-N 3.18Å; L5-M8 PolarHBondContact O-N 2.99Å; L5-L9 HydrophobicContact CG-CD1 4.29Å; L5-L9 WeakPolarHBondContact O-CB 3.34Å; L5-L9 VanDerWaalsContact O-CG 3.32Å; L5-L9 WeakPolarHBondContact O-CG 3.45Å; L5-L9 PolarHBondContact O-N 3.06Å
6V82.1Confident74Confident99 Ų99116.4 Ų116.460%0.660%0.595SS**Hα-helixtrans-63-42177.41760000110.8K2 V3 L9 F10K2-V6 WeakPolarHBondContact O-CG2 3.35Å; K2-V6 PolarHBondContact O-N 3.1Å; V3-V6 PolarHBondContact O-N 3Å; V6-L9 PolarHBondContact O-N 3.03Å; V6-F10 WeakPolarHBondContact O-CB 3.46Å; V6-F10 PolarHBondContact O-N 2.96Å
7H76.9Confident73.9Confident107 Ų107116 Ų11650%0.49559%0.594SS.*Hα-helixtrans-64.5-41177.1-167-96.8000112.1V3 T4 L5 F10 M11V3-H7 WeakPolarHBondContact O-CB 3.44Å; V3-H7 PolarHBondContact O-N 3.21Å; T4-H7 PolarHBondContact O-N 3.16Å; L5-H7 VanDerWaalsContact C-N 3.32Å; L5-H7 PolarHBondContact O-N 3.18Å; H7-F10 PolarHBondContact O-N 3.25Å; H7-M11 VanDerWaalsContact CE1-CE 3.45Å; H7-M11 WeakPolarHBondContact CE1-CE 3.38Å; H7-M11 WeakPolarHBondContact NE2-CE 3.42Å; H7-M11 VanDerWaalsContact O-CG 3.3Å; H7-M11 WeakPolarHBondContact O-CG 3.3Å; H7-M11 PolarHBondContact O-N 3.42Å
8M79.3Confident73.3Confident123 Ų123113.3 Ų113.361%0.60660%0.6SS**Hα-helixtrans-66.5-40.5175.9-69.8-61.2-72.700112.3T4 L5 F10 M11 M12T4-M8 WeakPolarHBondContact O-CB 3.24Å; T4-M8 WeakPolarHBondContact O-CG 3.34Å; T4-M8 PolarHBondContact O-N 3.43Å; L5-M8 PolarHBondContact O-N 2.99Å; M8-F10 VanDerWaalsContact C-N 3.35Å; M8-M11 PolarHBondContact O-N 2.85Å; M8-M12 WeakPolarHBondContact O-CB 3.36Å; M8-M12 VanDerWaalsContact O-CG 3.32Å; M8-M12 WeakPolarHBondContact O-CG 3.29Å; M8-M12 PolarHBondContact O-N 2.91Å
9L81.1Confident72.8Confident112 Ų112113.8 Ų113.859%0.58660%0.602SS**Hα-helixtrans-64.3-40.4175.1-72.4170.6000111.8L5 V6 M12 L13L5-L9 HydrophobicContact CG-CD1 4.29Å; L5-L9 WeakPolarHBondContact O-CB 3.34Å; L5-L9 VanDerWaalsContact O-CG 3.32Å; L5-L9 WeakPolarHBondContact O-CG 3.45Å; L5-L9 PolarHBondContact O-N 3.06Å; V6-L9 PolarHBondContact O-N 3.03Å; L9-M12 PolarHBondContact O-N 3.01Å; L9-L13 WeakPolarHBondContact O-CB 3.5Å; L9-L13 PolarHBondContact O-N 2.69Å
10F80.4Confident71.9Confident118 Ų118109.8 Ų109.852%0.51859%0.589SS.*Hα-helixtrans-63.5-45.1175.9-175.2-106.4000111.6V6 H7 M8 M12 L13 L14V6-F10 WeakPolarHBondContact O-CB 3.46Å; V6-F10 PolarHBondContact O-N 2.96Å; H7-F10 PolarHBondContact O-N 3.25Å; M8-F10 VanDerWaalsContact C-N 3.35Å; F10-M12 PolarHBondContact O-N 2.74Å; F10-L13 WeakPolarHBondContact O-CB 3.28Å; F10-L13 PolarHBondContact O-N 3.27Å; F10-L14 HydrophobicContact CD1-CD1 3.91Å; F10-L14 HydrophobicContact CE1-CD1 3.54Å; F10-L14 HydrophobicContact CE1-CG 4.27Å; F10-L14 HydrophobicContact CZ-CD1 4.05Å; F10-L14 HydrophobicContact CZ-CD2 4.42Å; F10-L14 HydrophobicContact CZ-CG 4.39Å; F10-L14 WeakPolarHBondContact O-CG 3.31Å; F10-L14 PolarHBondContact O-N 3.02Å
11M77.3Confident71.4Confident80 Ų80113.5 Ų113.539%0.39461%0.608SS.*Hα-helixtrans-64-39.1175.9-68.5-62.6169.200112.5H7 M8 L14 L15H7-M11 VanDerWaalsContact CE1-CE 3.45Å; H7-M11 WeakPolarHBondContact CE1-CE 3.38Å; H7-M11 WeakPolarHBondContact NE2-CE 3.42Å; H7-M11 VanDerWaalsContact O-CG 3.3Å; H7-M11 WeakPolarHBondContact O-CG 3.3Å; H7-M11 PolarHBondContact O-N 3.42Å; M8-M11 PolarHBondContact O-N 2.85Å; M11-L14 PolarHBondContact O-N 3.24Å; M11-L14 HydrophobicContact SD-CD1 4.25Å; M11-L15 PolarHBondContact O-N 3.03Å; M11-L15 VanDerWaalsContact O-N 3.08Å
12M79.2Confident71Confident101 Ų101106.1 Ų106.150%0.49859%0.588SS.*Hα-helixtrans-65.2-39.7173.8-73.4-79.484.700112.4M8 L9 F10 L14 L15 L16M8-M12 WeakPolarHBondContact O-CB 3.36Å; M8-M12 VanDerWaalsContact O-CG 3.32Å; M8-M12 WeakPolarHBondContact O-CG 3.29Å; M8-M12 PolarHBondContact O-N 2.91Å; L9-M12 PolarHBondContact O-N 3.01Å; F10-M12 PolarHBondContact O-N 2.74Å; M12-L14 VanDerWaalsContact C-N 3.34Å; M12-L14 PolarHBondContact O-N 3.39Å; M12-L15 HydrophobicContact CE-CB 4.36Å; M12-L15 HydrophobicContact CE-CD1 3.26Å; M12-L15 HydrophobicContact CE-CG 4.41Å; M12-L15 PolarHBondContact O-N 3.23Å; M12-L16 WeakPolarHBondContact O-CG 3.31Å; M12-L16 PolarHBondContact O-N 2.78Å
13L79.4Confident70.8Confident94 Ų94106.6 Ų106.649%0.49260%0.598SS.*Hα-helixtrans-62.5-42.4175.5-163.181.2000111.2L9 F10 L15 L16 L17L9-L13 WeakPolarHBondContact O-CB 3.5Å; L9-L13 PolarHBondContact O-N 2.69Å; F10-L13 WeakPolarHBondContact O-CB 3.28Å; F10-L13 PolarHBondContact O-N 3.27Å; L13-L15 VanDerWaalsContact C-N 3.31Å; L13-L15 PolarHBondContact O-N 2.8Å; L13-L16 PolarHBondContact O-N 2.65Å; L13-L17 HydrophobicContact CD2-CD1 4.13Å; L13-L17 HydrophobicContact CG-CD1 3.89Å; L13-L17 HydrophobicContact CG-CG 4.44Å; L13-L17 WeakPolarHBondContact O-CB 3.42Å; L13-L17 VanDerWaalsContact O-CG 3.22Å; L13-L17 WeakPolarHBondContact O-CG 3.33Å; L13-L17 PolarHBondContact O-N 3.02Å
14L75.9Confident70.2Confident42 Ų42103.6 Ų103.622%0.2259%0.592CS.*Hα-helixtrans-63.3-36.5176.1-68.6174.9000112.5F10 M11 M12 G18 L19 G20F10-L14 HydrophobicContact CD1-CD1 3.91Å; F10-L14 HydrophobicContact CE1-CD1 3.54Å; F10-L14 HydrophobicContact CE1-CG 4.27Å; F10-L14 HydrophobicContact CZ-CD1 4.05Å; F10-L14 HydrophobicContact CZ-CD2 4.42Å; F10-L14 HydrophobicContact CZ-CG 4.39Å; F10-L14 WeakPolarHBondContact O-CG 3.31Å; F10-L14 PolarHBondContact O-N 3.02Å; M11-L14 PolarHBondContact O-N 3.24Å; M11-L14 HydrophobicContact SD-CD1 4.25Å; M12-L14 VanDerWaalsContact C-N 3.34Å; M12-L14 PolarHBondContact O-N 3.39Å; L14-G18 PolarHBondContact O-N 2.94Å; L14-G18 VanDerWaalsContact O-N 3.15Å; L14-L19 HydrophobicContact CD2-CB 4.15Å; L14-L19 PolarHBondContact O-N 3.48Å; L14-G20 PolarHBondContact O-N 3.32Å; L14-G20 VanDerWaalsContact O-N 3.11Å
15L70.6Confident69Low112 Ų112107.3 Ų107.359%0.58661%0.608SS**Hα-helixtrans-67.5-42.4174-83.2154.1000112.2M11 M12 L13 L17 G18M11-L15 PolarHBondContact O-N 3.03Å; M11-L15 VanDerWaalsContact O-N 3.08Å; M12-L15 HydrophobicContact CE-CB 4.36Å; M12-L15 HydrophobicContact CE-CD1 3.26Å; M12-L15 HydrophobicContact CE-CG 4.41Å; M12-L15 PolarHBondContact O-N 3.23Å; L13-L15 VanDerWaalsContact C-N 3.31Å; L13-L15 PolarHBondContact O-N 2.8Å; L15-L17 VanDerWaalsContact C-N 3.33Å; L15-G18 PolarHBondContact O-N 2.95Å
16L70.9Confident67.7Low148 Ų148105.1 Ų105.178%0.77561%0.612SS**Hα-helixtrans-68.1-32.6176.8-69.1171.5000112.8M12 L13 G18M12-L16 WeakPolarHBondContact O-CG 3.31Å; M12-L16 PolarHBondContact O-N 2.78Å; L13-L16 PolarHBondContact O-N 2.65Å; L16-G18 VanDerWaalsContact C-N 3.29Å
17L71.5Confident65.9Low110 Ų110107.9 Ų107.958%0.57662%0.622SS**THydrogen-bonded Turntrans-84.90.9175.9-64.7173.7000113L13 L15 L19L13-L17 HydrophobicContact CD2-CD1 4.13Å; L13-L17 HydrophobicContact CG-CD1 3.89Å; L13-L17 HydrophobicContact CG-CG 4.44Å; L13-L17 WeakPolarHBondContact O-CB 3.42Å; L13-L17 VanDerWaalsContact O-CG 3.22Å; L13-L17 WeakPolarHBondContact O-CG 3.33Å; L13-L17 PolarHBondContact O-N 3.02Å; L15-L17 VanDerWaalsContact C-N 3.33Å; L17-L19 HydrophobicContact CB-CD1 4.25Å; L17-L19 PolarHBondContact O-N 3.23Å
18G64.1Low64.2Low67 Ų67111.3 Ų111.369%0.69164%0.638SS**THydrogen-bonded Turntrans67.714.8179.200000114.9L14 L15 L16L14-G18 PolarHBondContact O-N 2.94Å; L14-G18 VanDerWaalsContact O-N 3.15Å; L15-G18 PolarHBondContact O-N 2.95Å; L16-G18 VanDerWaalsContact C-N 3.29Å
19L63.7Low62.5Low123 Ų123112.7 Ų112.764%0.64465%0.645SS**  trans-98.31-179-70.7165.9000112.9L14 L17 L21L14-L19 HydrophobicContact CD2-CB 4.15Å; L14-L19 PolarHBondContact O-N 3.48Å; L17-L19 HydrophobicContact CB-CD1 4.25Å; L17-L19 PolarHBondContact O-N 3.23Å; L19-L21 PolarHBondContact O-N 2.95Å
20G54.9Low60.7Low34 Ų34112 Ų11235%0.35166%0.655SS.*SBendtrans-63.3124.116800000109.6L14 G22L14-G20 PolarHBondContact O-N 3.32Å; L14-G20 VanDerWaalsContact O-N 3.11Å; G20-G22 PolarHBondContact O-N 3.15Å
21L61.2Low58.7Low188 Ų188110.3 Ų110.398%0.98466%0.663SS**  trans-60.876.3172.4-71.3161.1000110.1L19L19-L21 PolarHBondContact O-N 2.95Å
22G50.8Low57Low62 Ų62110.2 Ų110.264%0.63968%0.675SS**  trans-100.9114.4172.200000108.2G20 G24G20-G22 PolarHBondContact O-N 3.15Å; G22-G24 PolarHBondContact O-N 2.75Å
23L56Low54.9Low192 Ų192111.1 Ų111.1100%1.00569%0.686SS**  trans-48.4100165.6-76119000109.8
24G50.5Low53.4Low62 Ų62108.1 Ų108.164%0.63967%0.67SS**  trans-166.226.8-174.100000112.8G22 G26G22-G24 PolarHBondContact O-N 2.75Å; G24-G26 PolarHBondContact O-N 3.05Å
25L47.4Very low51.8Low169 Ų169112.7 Ų112.789%0.88569%0.691SS**  trans-72.892.2147-76.9103.7000104.1L27L25-L27 VanDerWaalsContact C-N 3.31Å; L25-L27 PolarHBondContact O-N 2.99Å
26G47.8Very low50.8Low64 Ų64110.7 Ų110.766%0.6668%0.681SS**  6447.672.700000108.9G24 H28G24-G26 PolarHBondContact O-N 3.05Å; G26-H28 PolarHBondContact O-N 2.82Å
27L44.6Very low49.9Very low157 Ų157105 Ų10582%0.82265%0.653SS**  trans-65.372143.7-87.686000106.2L25 M29L25-L27 VanDerWaalsContact C-N 3.31Å; L25-L27 PolarHBondContact O-N 2.99Å; L27-M29 PolarHBondContact O-N 2.99Å
28H42.3Very low48.9Very low179 Ų179105.7 Ų105.783%0.82966%0.657SS**  trans-59.4102146.7-151.3-88.7000102.3G26 A30G26-H28 PolarHBondContact O-N 2.82Å; H28-A30 PolarHBondContact O-N 2.91Å
29M43.1Very low48.4Very low152 Ų152105.3 Ų105.375%0.74964%0.638SS**  trans-44.8114.1166.4-72.8-87.4-170.700104.4L27 A31L27-M29 PolarHBondContact O-N 2.99Å; M29-A31 PolarHBondContact O-N 2.84Å
30A42.4Very low47.8Very low97 Ų97102.7 Ų102.780%0.80263%0.628SS**  trans-66.969.215800000105.5H28 A32H28-A30 PolarHBondContact O-N 2.91Å; A30-A32 PolarHBondContact O-N 3.17Å
31A39.8Very low47.6Very low83 Ų83103.4 Ų103.469%0.68662%0.624SS**  trans-63.388.8147.400000102.5M29 V33M29-A31 PolarHBondContact O-N 2.84Å; A31-V33 PolarHBondContact O-N 3.1Å
32A40.2Very low47Very low78 Ų7897.5 Ų97.565%0.64560%0.598SS**  trans-48.8116.3-17500000106.8A30 L34A30-A32 PolarHBondContact O-N 3.17Å; A32-L34 PolarHBondContact O-N 2.83Å
33V36Very low47.7Very low120 Ų12097.5 Ų97.573%0.72758%0.581SS**  trans-59.390164.6172.20000104.5A31 Q35A31-V33 PolarHBondContact O-N 3.1Å; V33-Q35 HydrophobicContact CG1-CB 3.98Å; V33-Q35 HydrophobicContact CG1-CG 4.15Å; V33-Q35 PolarHBondContact O-N 2.75Å
34L46.9Very low48.1Very low31 Ų3188.4 Ų88.416%0.16253%0.534CS..  trans-66.789.9151.2-71.9177.8000103.4A32 D36 V176 K198 M212A32-L34 PolarHBondContact O-N 2.83Å; L34-D36 PolarHBondContact O-N 3.1Å; L34-V176 HydrophobicContact CD2-CG1 4.32Å; L34-V176 HydrophobicContact CD2-CG2 4.23Å; L34-K198 HydrophobicContact CD1-CD 3.25Å; L34-M212 HydrophobicContact CB-CB 4.42Å; L34-M212 HydrophobicContact CD1-CB 3.64Å; L34-M212 HydrophobicContact CD1-SD 4.38Å
35Q43.9Very low49.1Very low138 Ų13886.4 Ų86.465%0.64551%0.507SS*.  trans-53.8128.1-177.7-152.4157.47.800107.2V33 S37V33-Q35 HydrophobicContact CG1-CB 3.98Å; V33-Q35 HydrophobicContact CG1-CG 4.15Å; V33-Q35 PolarHBondContact O-N 2.75Å; Q35-S37 PolarHBondContact O-N 2.91Å; Q35-S37 VanDerWaalsContact O-N 3.1Å
36D49.1Very low49.4Very low71 Ų7181.3 Ų81.338%0.3848%0.484SS..  trans-46.7120.6178.1-66-45.2000108.2L34 L160 K211L34-D36 PolarHBondContact O-N 3.1Å; D36-L160 HydrophobicContact CB-CD2 4.38Å; D36-K211 WeakPolarHBondContact OD1-CB 3.37Å; D36-K211 VanDerWaalsContact OD1-CD 3.29Å; D36-K211 WeakPolarHBondContact OD1-CD 3.41Å; D36-K211 VanDerWaalsContact OD1-CG 3.26Å; D36-K211 WeakPolarHBondContact OD1-CG 3.29Å
37S52.4Low49.7Very low29 Ų2980.8 Ų80.820%0.20348%0.478CS..BIsolated β-bridgetrans-95103.7-177.9-169.60000107Q35 Q39 I210Q35-S37 PolarHBondContact O-N 2.91Å; Q35-S37 VanDerWaalsContact O-N 3.1Å; S37-Q39 PolarHBondContact O-N 3.28Å; S37-Q39 WeakPolarHBondContact OG-CB 3.49Å; S37-I210 PolarHBondContact N-O 3.39Å; S37-I210 PolarHBondContact O-N 3.26Å
38D50Low49.5Very low123 Ų12378.1 Ų78.166%0.65847%0.465SS*.  trans-7427.4175.9-66.7-33000112.4
39Q53.6Low49.3Very low59 Ų5974 Ų7428%0.27646%0.457SS..  trans-96.9141.8-166.8-143.5138.3-94.800110.4S37 E43 F44S37-Q39 PolarHBondContact O-N 3.28Å; S37-Q39 WeakPolarHBondContact OG-CB 3.49Å; Q39-E43 HydrophobicContact CG-CB 4.04Å; Q39-E43 VanDerWaalsContact CG-CD 3.41Å; Q39-E43 HydrophobicContact CG-CG 4.32Å; Q39-E43 WeakPolarHBondContact CG-OE2 3.26Å; Q39-E43 PolarHBondContact NE2-OE1 3.16Å; Q39-F44 HydrophobicContact CB-CE2 4.42Å; Q39-F44 HydrophobicContact CB-CZ 4.13Å; Q39-F44 VanDerWaalsContact O-CE2 3.27Å; Q39-F44 WeakPolarHBondContact O-CE2 3.28Å
40P51.5Low49.2Very low69 Ų6974.4 Ų74.445%0.44845%0.454SS..  trans-63.5146.3-176.624.8-32.6000111.6S42 E43P40-S42 PolarHBondContact O-N 2.67Å; P40-E43 HydrophobicContact CG-CB 4.44Å; P40-E43 WeakPolarHBondContact O-CB 3.49Å; P40-E43 PolarHBondContact O-N 2.93Å
41L49.4Very low48.9Very low48 Ų4877.2 Ų77.225%0.25146%0.456SS..THydrogen-bonded Turntrans-47.6-37.2-178.5-88.5161000114.8E43 W45 V147 T208 I210L41-E43 PolarHBondContact O-N 2.75Å; L41-W45 PolarHBondContact O-NE1 3.19Å; L41-W45 VanDerWaalsContact O-NE1 3.12Å; L41-V147 HydrophobicContact CD2-CB 4.29Å; L41-V147 HydrophobicContact CD2-CG1 3.33Å; L41-T208 HydrophobicContact CD1-CG2 3.59Å; L41-T208 WeakPolarHBondContact CD1-OG1 3.47Å; L41-T208 HydrophobicContact CD2-CG2 4Å; L41-T208 HydrophobicContact CG-CG2 3.39Å; L41-I210 HydrophobicContact CD2-CD1 3.78Å
42S49.7Very low48.5Very low65 Ų6578.4 Ų78.446%0.45546%0.455SS..THydrogen-bonded Turntrans-66.9-19.4-179.557.30000113P40P40-S42 PolarHBondContact O-N 2.67Å
43E64.4Low48.1Very low61 Ų6179.4 Ų79.429%0.28546%0.462SS..THydrogen-bonded Turntrans-74.3-41.6-178.1-129.9178.7123.100110.9Q39 P40 L41 W45 K125 Y137Q39-E43 HydrophobicContact CG-CB 4.04Å; Q39-E43 VanDerWaalsContact CG-CD 3.41Å; Q39-E43 HydrophobicContact CG-CG 4.32Å; Q39-E43 WeakPolarHBondContact CG-OE2 3.26Å; Q39-E43 PolarHBondContact NE2-OE1 3.16Å; P40-E43 HydrophobicContact CG-CB 4.44Å; P40-E43 WeakPolarHBondContact O-CB 3.49Å; P40-E43 PolarHBondContact O-N 2.93Å; L41-E43 PolarHBondContact O-N 2.75Å; E43-W45 PolarHBondContact O-N 3.03Å; E43-K125 WeakPolarHBondContact O-CE 3.49Å; E43-K125 PolarHBondContact O-NZ 3.07Å; E43-Y137 VanDerWaalsContact CB-OH 3.31Å; E43-Y137 WeakPolarHBondContact CB-OH 3.49Å; E43-Y137 HydrophobicContact CG-CE2 4.48Å; E43-Y137 VanDerWaalsContact CG-OH 3.27Å; E43-Y137 WeakPolarHBondContact CG-OH 3.4Å; E43-Y137 PolarHBondContact O-OH 3.29Å
44F64.9Low47.8Very low2 Ų282.8 Ų82.81%0.00947%0.47CS..THydrogen-bonded Turntrans-58.8-7.8-170.2-63.6-84.2000116.6Q39 T138 F139 I140 I210 M212Q39-F44 HydrophobicContact CB-CE2 4.42Å; Q39-F44 HydrophobicContact CB-CZ 4.13Å; Q39-F44 VanDerWaalsContact O-CE2 3.27Å; Q39-F44 WeakPolarHBondContact O-CE2 3.28Å; F44-T138 WeakPolarHBondContact CD1-O 3.34Å; F44-F139 WeakPolarHBondContact O-CA 2.9Å; F44-F139 WeakPolarHBondContact O-CD1 3.16Å; F44-I140 HydrophobicContact CB-CB 4.49Å; F44-I140 HydrophobicContact CB-CD1 4.07Å; F44-I140 HydrophobicContact CB-CG1 4.16Å; F44-I140 HydrophobicContact CD1-CD1 4.01Å; F44-I140 HydrophobicContact CD1-CG1 4.21Å; F44-I140 HydrophobicContact CG-CD1 3.96Å; F44-I140 HydrophobicContact CG-CG1 4.37Å; F44-I140 PolarHBondContact O-N 3.15Å; F44-I210 HydrophobicContact CD2-CD1 3.94Å; F44-I210 HydrophobicContact CE2-CD1 3.56Å; F44-I210 HydrophobicContact CE2-CG1 4.19Å; F44-I210 HydrophobicContact CZ-CB 4.16Å; F44-I210 HydrophobicContact CZ-CD1 3.97Å; F44-I210 HydrophobicContact CZ-CG1 4.29Å; F44-M212 HydrophobicContact CD1-CE 4.49Å; F44-M212 HydrophobicContact CE1-CE 4.28Å
45W72Confident47Very low19 Ų1986.1 Ų86.17%0.07250%0.502CS..SBendtrans-97.2137.6-174.1-55.2104.6000113.2L41 E43 G47 K125 I140 E142 T143 P144 V147L41-W45 PolarHBondContact O-NE1 3.19Å; L41-W45 VanDerWaalsContact O-NE1 3.12Å; E43-W45 PolarHBondContact O-N 3.03Å; W45-G47 PolarHBondContact O-N 3.31Å; W45-K125 WeakPolarHBondContact O-CE 3.25Å; W45-K125 PolarHBondContact O-NZ 3.41Å; W45-I140 VanDerWaalsContact CE3-O 3.31Å; W45-I140 HydrophobicContact CH2-CB 4.3Å; W45-I140 HydrophobicContact CH2-CG2 4.18Å; W45-I140 HydrophobicContact CZ3-CB 4.46Å; W45-I140 WeakPolarHBondContact CZ3-O 3.26Å; W45-E142 HydrophobicContact CH2-CB 3.78Å; W45-E142 WeakPolarHBondContact CH2-O 3.35Å; W45-E142 HydrophobicContact CZ3-CB 4.37Å; W45-E142 VanDerWaalsContact CZ3-N 3.31Å; W45-E142 WeakPolarHBondContact CZ3-O 3.41Å; W45-T143 VanDerWaalsContact CH2-C 3.43Å; W45-T143 VanDerWaalsContact CZ2-C 3.42Å; W45-P144 HydrophobicContact CD2-CG 4.16Å; W45-P144 HydrophobicContact CG-CG 4.34Å; W45-P144 HydrophobicContact CZ2-CB 4.38Å; W45-P144 HydrophobicContact CZ2-CG 4.15Å; W45-V147 HydrophobicContact CH2-CG2 3.69Å; W45-V147 HydrophobicContact CZ2-CB 4.21Å; W45-V147 HydrophobicContact CZ2-CG2 3.54Å
46P54.2Low46.1Very low63 Ų6385.9 Ų85.941%0.40951%0.511SS..THydrogen-bonded Turntrans-75.487.8169.130.5-29.7000109.6L121 F139P46-L121 HydrophobicContact CB-CD2 3.93Å; P46-F139 HydrophobicContact CB-CD1 4.11Å; P46-F139 HydrophobicContact CB-CE1 4.14Å; P46-F139 HydrophobicContact CG-CD1 4.38Å
47G53Low45.4Very low52 Ų5291.3 Ų91.354%0.53653%0.534SS..THydrogen-bonded Turntrans154.1-17.3169.200000119.1W45 S49W45-G47 PolarHBondContact O-N 3.31Å; G47-S49 PolarHBondContact O-N 3.04Å; G47-S49 VanDerWaalsContact O-N 3.09Å
48D40.7Very low44.3Very low101 Ų10199.3 Ų99.354%0.5457%0.568SS.*  trans-87.492.3-172.3-71.7-19.5000112.3K50D48-K50 PolarHBondContact O-N 3.22Å
49S38.8Very low43.1Very low93 Ų9397.1 Ų97.165%0.6558%0.575SS**  trans-70.4112.2159.3620000108.8G47 D51G47-S49 PolarHBondContact O-N 3.04Å; G47-S49 VanDerWaalsContact O-N 3.09Å; S49-D51 VanDerWaalsContact C-N 3.33Å; S49-D51 PolarHBondContact O-N 3.09Å
50K39.9Very low41.9Very low161 Ų161104.2 Ų104.270%0.761%0.608SS**  trans-67.687.3173.3-173.1-178.7178.9176.80110.6D48 T52D48-K50 PolarHBondContact O-N 3.22Å; K50-T52 WeakPolarHBondContact CG-OG1 3.27Å
51D35.4Very low40.6Very low156 Ų156104.1 Ų104.183%0.83462%0.619SS**  trans-93.885.6154.9-77.7-26.8000107.4S49S49-D51 VanDerWaalsContact C-N 3.33Å; S49-D51 PolarHBondContact O-N 3.09Å
52T31.9Very low39.4Very low108 Ų108108.5 Ų108.566%0.66365%0.648SS**  trans-111.891.8165.8-390000106.2K50 E54K50-T52 WeakPolarHBondContact CG-OG1 3.27Å; T52-E54 PolarHBondContact O-N 2.6Å
53A31.9Very low38.3Very low98 Ų98116.5 Ų116.581%0.8167%0.668SS**  trans-65.5121.4168.500000108.3A55A53-A55 PolarHBondContact O-N 2.85Å
54E30.4Very low36.3Very low191 Ų191120.4 Ų120.489%0.89370%0.697SS**  trans-62.6120.8167.9-74.5179.1136.700108.9T52 T56T52-E54 PolarHBondContact O-N 2.6Å; E54-T56 PolarHBondContact O-N 3.41Å
55A28.9Very low34.5Very low101 Ų101126.6 Ų126.684%0.83574%0.735SS**  trans-75.5115.3170.900000109.1A53A53-A55 PolarHBondContact O-N 2.85Å
56T26.3Very low32.3Very low134 Ų134135.2 Ų135.282%0.82277%0.773SS**  trans-116.9124.5154.8-600000106.8E54E54-T56 PolarHBondContact O-N 3.41Å
57E33.9Very low31Very low184 Ų184136.3 Ų136.386%0.8679%0.787SS**  trans-69.3134.5177.5-63.1-172.6143.500111.3
58E29.4Very low29.8Very low198 Ų198139.5 Ų139.593%0.92580%0.798SS**  179.4140.5124.8-99.9-160.4170.800111.7
59G25.8Very low28.9Very low77 Ų77138.6 Ų138.679%0.79481%0.805SS**  trans98.5115.7140.900000119.5
60E27.3Very low28.3Very low208 Ų208142.2 Ų142.297%0.97282%0.816SS**  trans-43.2148170.8-82.3173.8100.700117.4
61G25.1Very low27.6Very low67 Ų67138.2 Ų138.269%0.69182%0.821SS**  trans157.3100.3149.800000117.8
62T23.3Very low27.2Very low139 Ų139141.9 Ų141.985%0.85382%0.824SS**  trans65.8120.3140.1-42.40000120.9
63W25.9Very low27.1Very low234 Ų234146.1 Ų146.189%0.88683%0.833SS**  trans-56.4136.7171.4-73.962.6000113.6
64T23.2Very low26.9Very low143 Ų143149.3 Ų149.388%0.87783%0.832SS**  trans-156.1124.1138.724.80000111.6
65T26.2Very low26.8Very low131 Ų131149.6 Ų149.680%0.80484%0.835SS**  trans-55.2126.4169.5-57.60000112.3
66K26.3Very low27.1Very low201 Ų201149 Ų14987%0.87483%0.831SS**  trans-153.7110146.3-145.4173.3-175.6175.60110.9
67A26.3Very low27.2Very low85 Ų85150.5 Ų150.570%0.70283%0.828SS**  trans-66.1150167.500000110.9
68P28.2Very low27.1Very low119 Ų119147 Ų14777%0.77382%0.824SS**  -132.6126.9108.723.2-5.1000110.5
69A23.1Very low26.7Very low83 Ų83144.1 Ų144.169%0.68682%0.815SS**  50112.280.200000110.4
70L26.4Very low26.6Very low169 Ų169149.3 Ų149.389%0.88581%0.811SS**  cis-154.311732-71.8162.1000108.7
71G23.6Very low26.4Very low77 Ų77147.7 Ų147.779%0.79481%0.808SS**  trans-81.7122.2165.800000108.8K73G71-K73 PolarHBondContact O-N 3.4Å
72Y27.1Very low26.5Very low232 Ų232151.2 Ų151.291%0.9181%0.807SS**  trans-7295.9171.859.5-83.3000108.3
73K31Very low27Very low197 Ų197152.2 Ų152.286%0.85780%0.801SS**  trans-125.880.7159.4-172-176.4-177.8-179.70107.7G71G71-K73 PolarHBondContact O-N 3.4Å
74E26.9Very low27Very low166 Ų166146.8 Ų146.878%0.77680%0.795SS**  trans-165.997.1155.8-136.1162.815400111.3
75M28.3Very low27.6Very low196 Ų196144.9 Ų144.997%0.96678%0.782SS**  trans-150.353.7146.7-98.7164.4-149.100107.2
76A36.3Very low27.7Very low90 Ų90146.5 Ų146.574%0.74479%0.785SS**  trans-102.977.7150.400000105.7
77Q28.2Very low27.9Very low165 Ų165143.3 Ų143.377%0.77178%0.778SS**  trans-119.972.2165.2-135.2170.7-32.100107.3N79Q77-N79 PolarHBondContact O-N 3Å; Q77-N79 VanDerWaalsContact O-N 3.15Å
78S31.8Very low28.8Very low111 Ų111147.2 Ų147.278%0.77678%0.782SS**  trans-61.8101.8152.649.70000107.4
79N20.8Very low29.4Very low136 Ų136148.7 Ų148.773%0.72778%0.783SS**  trans-134.587.8164.8-143.838.4000109.3Q77Q77-N79 PolarHBondContact O-N 3Å; Q77-N79 VanDerWaalsContact O-N 3.15Å
80W23.4Very low30.2Very low186 Ų186152.6 Ų152.671%0.70579%0.792SS**  trans38.9116.6142.5-82.671.9000118.6E82W80-E82 VanDerWaalsContact CE3-CA 3.43Å; W80-E82 HydrophobicContact CE3-CB 4Å; W80-E82 HydrophobicContact CE3-CG 3.55Å; W80-E82 HydrophobicContact CZ3-CB 4.23Å; W80-E82 HydrophobicContact CZ3-CG 3.57Å
81L23Very low31.1Very low175 Ų175151 Ų15192%0.91679%0.789SS**  trans-94.8112.7130.3-147.491.4000106.4E83L81-E83 PolarHBondContact O-N 3.43Å
82E26.7Very low32.2Very low141 Ų141151 Ų15166%0.65979%0.789SS**  trans-45.3114.8169.1-115.4138.8142.900110.9W80 T84W80-E82 VanDerWaalsContact CE3-CA 3.43Å; W80-E82 HydrophobicContact CE3-CB 4Å; W80-E82 HydrophobicContact CE3-CG 3.55Å; W80-E82 HydrophobicContact CZ3-CB 4.23Å; W80-E82 HydrophobicContact CZ3-CG 3.57Å; E82-T84 VanDerWaalsContact C-N 3.32Å; E82-T84 PolarHBondContact O-N 3.45Å
83E33.9Very low32.9Very low159 Ų159143.6 Ų143.674%0.74378%0.783SS**  trans-49.799151.1-74.8-85.1152.800108L81 V85L81-E83 PolarHBondContact O-N 3.43Å; E83-V85 PolarHBondContact O-N 3.09Å
84T26Very low33.4Very low121 Ų121139.6 Ų139.674%0.74278%0.78SS**  trans-91.586.5158.138.20000107.2E82 L86E82-T84 VanDerWaalsContact C-N 3.32Å; E82-T84 PolarHBondContact O-N 3.45Å; T84-L86 PolarHBondContact O-N 3.15Å
85V35.8Very low34.6Very low103 Ų103142.8 Ų142.862%0.62479%0.785SS**  trans-62.8108.4155.5174.90000106.6E83E83-V85 PolarHBondContact O-N 3.09Å
86L27.8Very low35.6Very low164 Ų164141 Ų14186%0.85978%0.777SS**  trans-116.2127.8158.3-79.7175.3000108.6T84T84-L86 PolarHBondContact O-N 3.15Å
87N31.9Very low36.2Very low134 Ų134143.4 Ų143.472%0.71778%0.776SS**  trans-71.9146.5-175.1-76.5-69000113
88E43.8Very low37.5Very low168 Ų168138.1 Ų138.179%0.78577%0.766SS**  trans63.1137.4144.1-63.5-172.5139.200122.4
89D42.8Very low38.3Very low149 Ų149137.4 Ų137.480%0.79776%0.757SS**  trans75.788159.6-56.6-27.4000119.4
90D38.9Very low39.9Very low166 Ų166139.3 Ų139.389%0.88876%0.759SS**  -151.6146.9124.8-145.7-1.5000113.6
91V45Very low41.7Very low135 Ų135133.6 Ų133.682%0.81875%0.751SS**  trans-76.7131-170.6164.70000111.6
92G47.8Very low43.4Very low77 Ų77129.9 Ų129.979%0.79473%0.732SS**  trans87.9130.815000000116.9
93G41Very low45.1Very low76 Ų76126.6 Ų126.678%0.78472%0.724SS**  trans13696.3158.800000115.1
94S41.6Very low46.5Very low114 Ų114123.9 Ų123.980%0.79771%0.712SS**  trans28.8114.3150.2-58.20000119.7M96S94-M96 PolarHBondContact O-N 3.15Å
95R51.1Low48.6Very low232 Ų232121.4 Ų121.488%0.87570%0.699SS**  trans-41.2100166.7-67.6179.1-114.8-107.30113L97R95-L97 VanDerWaalsContact C-N 3.26Å; R95-L97 HydrophobicContact CB-CD1 4.29Å; R95-L97 HydrophobicContact CB-CG 4.44Å; R95-L97 HydrophobicContact CG-CD1 4.46Å; R95-L97 PolarHBondContact O-N 3.25Å
96M49.3Very low50Low160 Ų160123 Ų12379%0.78870%0.698SS**  trans-85.660.3164.9-87.6-98.6146.100110.3S94 G98S94-M96 PolarHBondContact O-N 3.15Å; M96-G98 VanDerWaalsContact C-N 3.28Å
97L50.2Low51.8Low139 Ų139120.6 Ų120.673%0.72868%0.682SS**  trans-84.50.4176.4-74.2167.6000113.2R95R95-L97 VanDerWaalsContact C-N 3.26Å; R95-L97 HydrophobicContact CB-CD1 4.29Å; R95-L97 HydrophobicContact CB-CG 4.44Å; R95-L97 HydrophobicContact CG-CD1 4.46Å; R95-L97 PolarHBondContact O-N 3.25Å
98G54.3Low53.1Low55 Ų55117.9 Ų117.957%0.56767%0.668SS**Hα-helixtrans-92-20.3-170.700000116.7M96M96-G98 VanDerWaalsContact C-N 3.28Å
99T50Low53.9Low95 Ų95115.9 Ų115.958%0.58366%0.657SS**Hα-helixtrans-91.5-36.4-172.347.50000113.4S103T99-S103 PolarHBondContact O-N 2.96Å; T99-S103 VanDerWaalsContact O-N 3.16Å
100K53.4Low55Low176 Ų176115.5 Ų115.577%0.76565%0.648SS**Hα-helixtrans-69.8-41.7-179.7-163.6166.8-176.5168.90112.4S103 Q104K100-S103 PolarHBondContact O-N 2.8Å; K100-Q104 WeakPolarHBondContact O-CB 3.36Å; K100-Q104 PolarHBondContact O-N 2.91Å
101A60.4Low56.1Low66 Ų66112.7 Ų112.755%0.54563%0.632SS.*Hα-helixtrans-65.8-39.3178.200000113S105A101-S105 WeakPolarHBondContact O-CB 3.43Å; A101-S105 PolarHBondContact O-N 3.49Å
102L60.3Low57.3Low97 Ų97108.8 Ų108.851%0.50861%0.606SS.*Hα-helixtrans-69.8-37.7177.3-175.667.5000112.3K106L102-K106 WeakPolarHBondContact O-CG 3.35Å; L102-K106 PolarHBondContact O-N 2.84Å; L102-K106 VanDerWaalsContact O-N 3.1Å
103S61.2Low58.3Low72 Ų72108.4 Ų108.450%0.50359%0.586SS.*Hα-helixtrans-67.1-42.7176.4-167.50000111.5T99 K100 K106 Q107T99-S103 PolarHBondContact O-N 2.96Å; T99-S103 VanDerWaalsContact O-N 3.16Å; K100-S103 PolarHBondContact O-N 2.8Å; S103-K106 PolarHBondContact O-N 2.88Å; S103-Q107 WeakPolarHBondContact O-CB 3.24Å; S103-Q107 PolarHBondContact O-N 3.06Å
104Q64.1Low59.9Low102 Ų102109.8 Ų109.848%0.47758%0.575SS.*Hα-helixtrans-62.2-50.7176.6-168.763.540.600110.9K100 K106 Q107 D108K100-Q104 WeakPolarHBondContact O-CB 3.36Å; K100-Q104 PolarHBondContact O-N 2.91Å; Q104-K106 VanDerWaalsContact C-N 3.3Å; Q104-K106 PolarHBondContact O-N 3.18Å; Q104-Q107 PolarHBondContact O-N 3.32Å; Q104-D108 PolarHBondContact NE2-OD1 2.94Å; Q104-D108 PolarHBondContact O-N 3.05Å
105S68.9Low61.7Low69 Ų69107.2 Ų107.248%0.48356%0.561SS.*Hα-helixtrans-56.3-40177.4165.90000113.3A101 F109A101-S105 WeakPolarHBondContact O-CB 3.43Å; A101-S105 PolarHBondContact O-N 3.49Å; S105-F109 VanDerWaalsContact O-CB 3.24Å; S105-F109 WeakPolarHBondContact O-CB 3.33Å; S105-F109 PolarHBondContact O-N 2.92Å
106K66.7Low63.5Low138 Ų13897.6 Ų97.660%0.653%0.525SS*.Hα-helixtrans-68.4-36.9176.1-77.4-179.2178.4-176.80112.8L102 S103 Q104 K110L102-K106 WeakPolarHBondContact O-CG 3.35Å; L102-K106 PolarHBondContact O-N 2.84Å; L102-K106 VanDerWaalsContact O-N 3.1Å; S103-K106 PolarHBondContact O-N 2.88Å; Q104-K106 VanDerWaalsContact C-N 3.3Å; Q104-K106 PolarHBondContact O-N 3.18Å; K106-K110 WeakPolarHBondContact O-CB 2.75Å; K106-K110 PolarHBondContact O-N 2.86Å
107Q65.4Low65.5Low112 Ų11292.4 Ų92.452%0.52350%0.5SS..Hα-helixtrans-72.8-41.4179.6-168157.30.400111S103 Q104 K110 I111S103-Q107 WeakPolarHBondContact O-CB 3.24Å; S103-Q107 PolarHBondContact O-N 3.06Å; Q104-Q107 PolarHBondContact O-N 3.32Å; Q107-K110 PolarHBondContact O-N 2.96Å; Q107-I111 HydrophobicContact CG-CD1 4.27Å; Q107-I111 VanDerWaalsContact O-CG1 3.28Å; Q107-I111 WeakPolarHBondContact O-CG1 3.33Å; Q107-I111 PolarHBondContact O-N 3.45Å
108D59.1Low67.6Low78 Ų7885.8 Ų85.842%0.41747%0.465SS..Hα-helixtrans-62-46.4174.4-60.1-19.2000110.8Q104 K110 I111 D112Q104-D108 PolarHBondContact NE2-OD1 2.94Å; Q104-D108 PolarHBondContact O-N 3.05Å; D108-K110 VanDerWaalsContact C-N 3.32Å; D108-K110 PolarHBondContact O-N 2.77Å; D108-I111 PolarHBondContact O-N 2.77Å; D108-D112 WeakPolarHBondContact O-CB 3.5Å; D108-D112 PolarHBondContact O-N 2.82Å
109F60.9Low69.5Low125 Ų12585.9 Ų85.955%0.54845%0.453SS..Hα-helixtrans-61.1-38.3175-178.7-105.7000112.7S105 D112 L113S105-F109 VanDerWaalsContact O-CB 3.24Å; S105-F109 WeakPolarHBondContact O-CB 3.33Å; S105-F109 PolarHBondContact O-N 2.92Å; F109-D112 PolarHBondContact O-N 2.86Å; F109-L113 HydrophobicContact CD1-CD1 3.78Å; F109-L113 HydrophobicContact CD1-CG 4.32Å; F109-L113 HydrophobicContact CE1-CD1 3.23Å; F109-L113 HydrophobicContact CE1-CG 3.98Å; F109-L113 HydrophobicContact CE2-CD1 4.36Å; F109-L113 HydrophobicContact CE2-CD2 4.46Å; F109-L113 HydrophobicContact CE2-CG 4.28Å; F109-L113 HydrophobicContact CZ-CD1 3.57Å; F109-L113 HydrophobicContact CZ-CD2 4.18Å; F109-L113 HydrophobicContact CZ-CG 3.95Å; F109-L113 WeakPolarHBondContact O-CB 3.31Å; F109-L113 WeakPolarHBondContact O-CG 3.29Å; F109-L113 PolarHBondContact O-N 2.74Å
110K65.1Low71.4Confident141 Ų14185.1 Ų85.161%0.61345%0.448SS*.Hα-helixtrans-67.8-39.4176.4-175.1-178.9177.3-172.80112.1K106 Q107 D108 N114K106-K110 WeakPolarHBondContact O-CB 2.75Å; K106-K110 PolarHBondContact O-N 2.86Å; Q107-K110 PolarHBondContact O-N 2.96Å; D108-K110 VanDerWaalsContact C-N 3.32Å; D108-K110 PolarHBondContact O-N 2.77Å; K110-N114 WeakPolarHBondContact O-CB 3.39Å; K110-N114 PolarHBondContact O-N 2Å; K110-N114 PolarHBondContact O-OD1 3.33Å
111I63.2Low73.2Confident107 Ų10777.8 Ų77.855%0.54942%0.417SS..Hα-helixtrans-64.7-43.8176.3-68.8163.6000109.9Q107 D108 N114 A115Q107-I111 HydrophobicContact CG-CD1 4.27Å; Q107-I111 VanDerWaalsContact O-CG1 3.28Å; Q107-I111 WeakPolarHBondContact O-CG1 3.33Å; Q107-I111 PolarHBondContact O-N 3.45Å; D108-I111 PolarHBondContact O-N 2.77Å; I111-N114 PolarHBondContact O-N 3.36Å; I111-A115 PolarHBondContact O-N 2.9Å
112D68.6Low74.7Confident54 Ų5474.6 Ų74.629%0.28939%0.391SS..Hα-helixtrans-64.1-44177.8-173.949.2000112.4D108 F109 N114 A115 R116D108-D112 WeakPolarHBondContact O-CB 3.5Å; D108-D112 PolarHBondContact O-N 2.82Å; F109-D112 PolarHBondContact O-N 2.86Å; D112-N114 VanDerWaalsContact C-N 3.33Å; D112-N114 PolarHBondContact O-N 2.9Å; D112-A115 PolarHBondContact O-N 2.74Å; D112-R116 VanDerWaalsContact CG-NE 3.33Å; D112-R116 WeakPolarHBondContact O-CG 3.49Å; D112-R116 PolarHBondContact O-N 2.81Å; D112-R116 IonicContact OD1-CZ 3.03Å; D112-R116 IonicContact OD1-NE 2.65Å; D112-R116 PolarHBondContact OD1-NE 2.82Å; D112-R116 IonicContact OD1-NH1 2.8Å; D112-R116 IonicContact OD1-NH2 3.15Å; D112-R116 PolarHBondContact OD1-NH2 2.92Å; D112-R116 VanDerWaalsContact OD1-NH2 3.09Å; D112-R116 IonicContact OD2-CZ 3.04Å; D112-R116 IonicContact OD2-NE 3.88Å; D112-R116 PolarHBondContact OD2-NE 2.91Å; D112-R116 IonicContact OD2-NH1 3.79Å; D112-R116 PolarHBondContact OD2-NH1 2.93Å; D112-R116 IonicContact OD2-NH2 3.38Å; D112-R116 PolarHBondContact OD2-NH2 3.33Å
113L70Confident76Confident69 Ų6975.6 Ų75.636%0.36140%0.396SS..Hα-helixtrans-62.9-37.9174.8-75.6-177.9000113F109 R116 D117 I195F109-L113 HydrophobicContact CD1-CD1 3.78Å; F109-L113 HydrophobicContact CD1-CG 4.32Å; F109-L113 HydrophobicContact CE1-CD1 3.23Å; F109-L113 HydrophobicContact CE1-CG 3.98Å; F109-L113 HydrophobicContact CE2-CD1 4.36Å; F109-L113 HydrophobicContact CE2-CD2 4.46Å; F109-L113 HydrophobicContact CE2-CG 4.28Å; F109-L113 HydrophobicContact CZ-CD1 3.57Å; F109-L113 HydrophobicContact CZ-CD2 4.18Å; F109-L113 HydrophobicContact CZ-CG 3.95Å; F109-L113 WeakPolarHBondContact O-CB 3.31Å; F109-L113 WeakPolarHBondContact O-CG 3.29Å; F109-L113 PolarHBondContact O-N 2.74Å; L113-R116 CarbonylContact O-C 3.54Å; L113-R116 PolarHBondContact O-N 3.34Å; L113-D117 PolarHBondContact O-N 2.01Å; L113-D117 VanDerWaalsContact O-N 3.14Å; L113-I195 HydrophobicContact CD2-CD1 3.77Å
114N74.3Confident77.1Confident104 Ų10475 Ų7556%0.55639%0.392SS*.Hα-helixtrans-67.3-38.6175.6-87.540.2000111.6K110 I111 D112 R116 D117K110-N114 WeakPolarHBondContact O-CB 3.39Å; K110-N114 PolarHBondContact O-N 2Å; K110-N114 PolarHBondContact O-OD1 3.33Å; I111-N114 PolarHBondContact O-N 3.36Å; D112-N114 VanDerWaalsContact C-N 3.33Å; D112-N114 PolarHBondContact O-N 2.9Å; N114-R116 PolarHBondContact O-N 2.81Å; N114-D117 WeakPolarHBondContact O-CB 3.26Å; N114-D117 PolarHBondContact O-N 3.31Å
115A80Confident78.2Confident61 Ų6171.5 Ų71.550%0.50438%0.375SS..Hα-helixtrans-65.5-25.4174.700000112.4I111 D112 L121I111-A115 PolarHBondContact O-N 2.9Å; D112-A115 PolarHBondContact O-N 2.74Å; A115-L121 WeakPolarHBondContact O-CD2 3.49Å
116R87.5Confident79Confident29 Ų2970.4 Ų70.411%0.10936%0.363CS..THydrogen-bonded Turntrans-987.1178.9-63.8172.1-169-167.7-11.1113.8D112 L113 N114 C118 E173 T175 T193 I195D112-R116 VanDerWaalsContact CG-NE 3.33Å; D112-R116 WeakPolarHBondContact O-CG 3.49Å; D112-R116 PolarHBondContact O-N 2.81Å; D112-R116 IonicContact OD1-CZ 3.03Å; D112-R116 IonicContact OD1-NE 2.65Å; D112-R116 PolarHBondContact OD1-NE 2.82Å; D112-R116 IonicContact OD1-NH1 2.8Å; D112-R116 IonicContact OD1-NH2 3.15Å; D112-R116 PolarHBondContact OD1-NH2 2.92Å; D112-R116 VanDerWaalsContact OD1-NH2 3.09Å; D112-R116 IonicContact OD2-CZ 3.04Å; D112-R116 IonicContact OD2-NE 3.88Å; D112-R116 PolarHBondContact OD2-NE 2.91Å; D112-R116 IonicContact OD2-NH1 3.79Å; D112-R116 PolarHBondContact OD2-NH1 2.93Å; D112-R116 IonicContact OD2-NH2 3.38Å; D112-R116 PolarHBondContact OD2-NH2 3.33Å; L113-R116 CarbonylContact O-C 3.54Å; L113-R116 PolarHBondContact O-N 3.34Å; N114-R116 PolarHBondContact O-N 2.81Å; R116-C118 PolarHBondContact O-N 3.26Å; R116-E173 VanDerWaalsContact CZ-CD 3.41Å; R116-E173 IonicContact CZ-OE1 3.23Å; R116-E173 IonicContact CZ-OE2 3.88Å; R116-E173 VanDerWaalsContact NH1-CD 3.29Å; R116-E173 IonicContact NH1-OE1 2.78Å; R116-E173 IonicContact NH1-OE2 3.4Å; R116-E173 PolarHBondContact NH1-OE2 2.99Å; R116-E173 IonicContact NH2-OE1 3.83Å; R116-E173 PolarHBondContact NH2-OE1 3.24Å; R116-E173 IonicContact NH2-OE2 3.71Å; R116-E173 PolarHBondContact NH2-OE2 3.08Å; R116-T175 HydrophobicContact CB-CG2 4.44Å; R116-T175 WeakPolarHBondContact O-CG2 3.44Å; R116-T193 WeakPolarHBondContact O-CG2 3.22Å; R116-T193 PolarHBondContact O-OG1 3.33Å; R116-I195 HydrophobicContact CB-CD1 4Å; R116-I195 HydrophobicContact CB-CG1 4.33Å; R116-I195 HydrophobicContact CG-CD1 4.32Å
117D92.3Very high79.3Confident51 Ų5172 Ų7227%0.27337%0.37SS..  trans-66.1117.1176.4176.921.4000110.5L113 N114 N119 T120 L121L113-D117 PolarHBondContact O-N 2.01Å; L113-D117 VanDerWaalsContact O-N 3.14Å; N114-D117 WeakPolarHBondContact O-CB 3.26Å; N114-D117 PolarHBondContact O-N 3.31Å; D117-N119 PolarHBondContact O-N 3.34Å; D117-N119 PolarHBondContact OD1-N 3.14Å; D117-N119 VanDerWaalsContact OD1-N 3.11Å; D117-N119 PolarHBondContact OD1-ND2 3.18Å; D117-T120 WeakPolarHBondContact O-CB 3.46Å; D117-T120 PolarHBondContact O-N 3.49Å; D117-T120 PolarHBondContact OD2-OG1 3.36Å; D117-L121 WeakPolarHBondContact O-CG 3.03Å; D117-L121 PolarHBondContact O-N 3.34Å
118C94Very high79.9Confident0 Ų072.4 Ų72.40%037%0.372CS..Hα-helixtrans-64.8-30.4-176.9-80.80000112.2R116 T120 L121 M122 C177 Y191 T193R116-C118 PolarHBondContact O-N 3.26Å; C118-T120 PolarHBondContact O-N 2.96Å; C118-L121 PolarHBondContact O-N 2.69Å; C118-M122 WeakPolarHBondContact O-CB 3.47Å; C118-M122 WeakPolarHBondContact O-CG 3.39Å; C118-M122 PolarHBondContact O-N 3.32Å; C118-C177 VanDerWaalsContact CA-SG 3.58Å; C118-C177 HydrophobicContact CB-CB 3.59Å; C118-C177 WeakPolarHBondContact CB-SG 2.93Å; C118-C177 WeakPolarHBondContact SG-CA 3.38Å; C118-C177 WeakPolarHBondContact SG-CB 3.37Å; C118-C177 CovalentContact SG-SG 2.03Å; C118-C177 PolarHBondContact SG-SG 3.39Å; C118-Y191 HydrophobicContact CB-CG 4.39Å; C118-T193 VanDerWaalsContact CB-OG1 3.3Å; C118-T193 WeakPolarHBondContact CB-OG1 3.43Å; C118-T193 PolarHBondContact N-OG1 3.26Å; C118-T193 PolarHBondContact SG-OG1 2.84Å; C118-T193 VanDerWaalsContact SG-OG1 3.34Å
119N93.1Very high80.7Confident57 Ų5776.5 Ų76.531%0.30538%0.383SS..Hα-helixtrans-63.6-31.1175.2-62.6-60.4000111.5D117 I123 H190 Y191D117-N119 PolarHBondContact O-N 3.34Å; D117-N119 PolarHBondContact OD1-N 3.14Å; D117-N119 VanDerWaalsContact OD1-N 3.11Å; D117-N119 PolarHBondContact OD1-ND2 3.18Å; N119-I123 WeakPolarHBondContact O-CG1 3.24Å; N119-H190 WeakPolarHBondContact OD1-CA 3.13Å; N119-Y191 PolarHBondContact ND2-O 2.93Å; N119-Y191 PolarHBondContact OD1-N 3.21Å
120T91.4Very high81.4Confident79 Ų7977 Ų7749%0.48539%0.391SS..Hα-helixtrans-81.4-50.2177.2-59.80000110.9D117 C118 M122 I123D117-T120 WeakPolarHBondContact O-CB 3.46Å; D117-T120 PolarHBondContact O-N 3.49Å; D117-T120 PolarHBondContact OD2-OG1 3.36Å; C118-T120 PolarHBondContact O-N 2.96Å; T120-M122 VanDerWaalsContact C-N 3.34Å; T120-M122 PolarHBondContact O-N 3.06Å; T120-I123 WeakPolarHBondContact O-CB 3.3Å; T120-I123 WeakPolarHBondContact O-CG1 3.12Å; T120-I123 PolarHBondContact O-N 2.94Å
121L90.9Very high82.4Confident22 Ų2274.7 Ų74.712%0.11538%0.382CS..Hα-helixtrans-62.2-39.8-176.2-67.6179.9000112.9P46 A115 D117 C118 I123 S124 F139 T175P46-L121 HydrophobicContact CB-CD2 3.93Å; A115-L121 WeakPolarHBondContact O-CD2 3.49Å; D117-L121 WeakPolarHBondContact O-CG 3.03Å; D117-L121 PolarHBondContact O-N 3.34Å; C118-L121 PolarHBondContact O-N 2.69Å; L121-I123 PolarHBondContact O-N 2.91Å; L121-S124 PolarHBondContact O-N 3.31Å; L121-S124 PolarHBondContact O-OG 3.28Å; L121-F139 HydrophobicContact CB-CD2 4.25Å; L121-F139 HydrophobicContact CB-CE1 4.35Å; L121-F139 HydrophobicContact CB-CE2 3.61Å; L121-F139 HydrophobicContact CB-CZ 3.67Å; L121-F139 HydrophobicContact CD1-CD2 3.93Å; L121-F139 HydrophobicContact CD1-CE2 4.15Å; L121-F139 HydrophobicContact CD1-CG 4.3Å; L121-T175 HydrophobicContact CD1-CG2 4.01Å
122M91.6Very high83.7Confident0 Ų074.2 Ų74.20%038%0.384CS..G310 helixtrans-68.9-16.9-177.3-72-57.9-60.900114C118 T120 S124 K125 M126 I134 Y137 F139 C177 Y191C118-M122 WeakPolarHBondContact O-CB 3.47Å; C118-M122 WeakPolarHBondContact O-CG 3.39Å; C118-M122 PolarHBondContact O-N 3.32Å; T120-M122 VanDerWaalsContact C-N 3.34Å; T120-M122 PolarHBondContact O-N 3.06Å; M122-S124 PolarHBondContact O-N 2.8Å; M122-K125 HydrophobicContact CE-CB 4.05Å; M122-K125 HydrophobicContact CE-CG 4.49Å; M122-K125 PolarHBondContact O-N 3.13Å; M122-K125 HydrophobicContact SD-CG 4.41Å; M122-M126 HydrophobicContact CB-CE 3.78Å; M122-M126 HydrophobicContact CE-CE 4.48Å; M122-M126 PolarHBondContact O-N 3.19Å; M122-I134 HydrophobicContact CE-CB 3.79Å; M122-I134 HydrophobicContact CE-CD1 3.73Å; M122-I134 HydrophobicContact CE-CG1 4.32Å; M122-I134 HydrophobicContact CE-CG2 4.04Å; M122-Y137 HydrophobicContact CE-CD2 4.34Å; M122-Y137 HydrophobicContact CE-CG 4.1Å; M122-Y137 WeakPolarHBondContact SD-CB 3.46Å; M122-Y137 HydrophobicContact SD-CD1 4.04Å; M122-Y137 HydrophobicContact SD-CD2 4.5Å; M122-Y137 HydrophobicContact SD-CG 3.75Å; M122-F139 HydrophobicContact SD-CE2 3.82Å; M122-F139 HydrophobicContact SD-CZ 4.03Å; M122-C177 HydrophobicContact CG-CB 4.07Å; M122-C177 HydrophobicContact SD-CB 4.13Å; M122-Y191 HydrophobicContact CB-CD2 4.18Å; M122-Y191 HydrophobicContact CB-CE2 3.96Å; M122-Y191 HydrophobicContact CE-CE1 4.23Å; M122-Y191 HydrophobicContact CG-CD1 4.16Å; M122-Y191 HydrophobicContact CG-CD2 4.06Å; M122-Y191 HydrophobicContact CG-CE1 4.13Å; M122-Y191 HydrophobicContact CG-CE2 4.04Å; M122-Y191 HydrophobicContact CG-CG 4.14Å
123I88.6Confident84.8Confident117 Ų11771.8 Ų71.860%0.637%0.372SS*.G310 helixtrans-55.2-41.9175.6-64170.7000110.2N119 T120 L121 K125 M126N119-I123 WeakPolarHBondContact O-CG1 3.24Å; T120-I123 WeakPolarHBondContact O-CB 3.3Å; T120-I123 WeakPolarHBondContact O-CG1 3.12Å; T120-I123 PolarHBondContact O-N 2.94Å; L121-I123 PolarHBondContact O-N 2.91Å; I123-K125 PolarHBondContact O-N 3.1Å; I123-K125 VanDerWaalsContact O-N 3.16Å; I123-M126 PolarHBondContact O-N 3.31Å
124S84.4Confident85.8Confident61 Ų6171 Ų7143%0.42737%0.367SS..G310 helixtrans-66.9-14.4179.769.10000114.4L121 M122L121-S124 PolarHBondContact O-N 3.31Å; L121-S124 PolarHBondContact O-OG 3.28Å; M122-S124 PolarHBondContact O-N 2.8Å
125K86.3Confident86.7Confident28 Ų2871 Ų7112%0.12237%0.367CS..G310 helixtrans-102-12.6-177.3-54.6-57.6171-177.10113.1E43 W45 M122 I123 I134 Y137 F139E43-K125 WeakPolarHBondContact O-CE 3.49Å; E43-K125 PolarHBondContact O-NZ 3.07Å; W45-K125 WeakPolarHBondContact O-CE 3.25Å; W45-K125 PolarHBondContact O-NZ 3.41Å; M122-K125 HydrophobicContact CE-CB 4.05Å; M122-K125 HydrophobicContact CE-CG 4.49Å; M122-K125 PolarHBondContact O-N 3.13Å; M122-K125 HydrophobicContact SD-CG 4.41Å; I123-K125 PolarHBondContact O-N 3.1Å; I123-K125 VanDerWaalsContact O-N 3.16Å; K125-I134 HydrophobicContact CB-CD1 3.97Å; K125-Y137 HydrophobicContact CD-CE1 4.36Å; K125-Y137 HydrophobicContact CD-CE2 4.33Å; K125-Y137 HydrophobicContact CG-CE1 4.29Å; K125-Y137 HydrophobicContact CG-CE2 4.29Å; K125-F139 HydrophobicContact CG-CE1 4.43Å; K125-F139 HydrophobicContact CG-CZ 4.07Å
126M84.8Confident87.2Confident45 Ų4570.6 Ų70.622%0.22236%0.355CS..  trans-95.699.4178.2-64.1167.7-168.800109.9M122 I123 V186 C189 Y191M122-M126 HydrophobicContact CB-CE 3.78Å; M122-M126 HydrophobicContact CE-CE 4.48Å; M122-M126 PolarHBondContact O-N 3.19Å; I123-M126 PolarHBondContact O-N 3.31Å; M126-V186 HydrophobicContact CB-CG2 4.16Å; M126-V186 HydrophobicContact CG-CG2 4.07Å; M126-V186 HydrophobicContact SD-CG2 4.07Å; M126-C189 HydrophobicContact CE-CB 3.51Å; M126-C189 HydrophobicContact SD-CB 4.12Å; M126-Y191 HydrophobicContact CE-CD2 4.47Å; M126-Y191 HydrophobicContact CE-CE2 3.31Å; M126-Y191 VanDerWaalsContact CE-OH 3.22Å; M126-Y191 WeakPolarHBondContact CE-OH 3.22Å
127K74.1Confident87.4Confident173 Ų17369.3 Ų69.375%0.75235%0.35SS*.  trans-89.7-22.9-178.3-63.5-173-179.8-176.90114
128E77.8Confident87.3Confident120 Ų12067.2 Ų67.256%0.56134%0.339SS*.SBendtrans-126.7133.9-170.8-159.3170.1175.600112.5H131E128-H131 WeakPolarHBondContact CG-ND1 2.95Å; E128-H131 IonicContact OE1-CE1 2.6Å; E128-H131 PolarHBondContact OE1-CE1 3.49Å; E128-H131 IonicContact OE1-ND1 3.55Å; E128-H131 IonicContact OE1-NE2 3.19Å; E128-H131 IonicContact OE2-CD2 3.11Å; E128-H131 IonicContact OE2-CE1 3.98Å; E128-H131 PolarHBondContact OE2-CE1 3.21Å; E128-H131 IonicContact OE2-ND1 2.85Å; E128-H131 IonicContact OE2-NE2 3.09Å; E128-H131 PolarHBondContact OE2-NE2 3.17Å
129Y75.6Confident87.1Confident164 Ų16467.2 Ų67.264%0.64334%0.339SS*.THydrogen-bonded Turntrans-73.8155176-87.4-94000111.4H131 V186 P187Y129-H131 PolarHBondContact O-N 2.56Å; Y129-H131 VanDerWaalsContact O-N 3.1Å; Y129-H131 PolarHBondContact O-ND1 3.09Å; Y129-V186 HydrophobicContact CD1-CG1 4.33Å; Y129-V186 HydrophobicContact CG-CG1 4.49Å; Y129-P187 HydrophobicContact CE1-CB 3.99Å; Y129-P187 HydrophobicContact CE1-CG 4.01Å
130N75.8Confident87Confident136 Ų13664.6 Ų64.673%0.72733%0.325SS*.THydrogen-bonded Turntrans60.115.3179.3-58.1-49.3000115.4V186N130-V186 PolarHBondContact N-O 2.94Å
131H86.4Confident87Confident91 Ų9163.4 Ų63.442%0.42131%0.314SS..SBendtrans-92.3155.4172.4-78.558.8000110.8E128 Y129 C133 V185 V186E128-H131 WeakPolarHBondContact CG-ND1 2.95Å; E128-H131 IonicContact OE1-CE1 2.6Å; E128-H131 PolarHBondContact OE1-CE1 3.49Å; E128-H131 IonicContact OE1-ND1 3.55Å; E128-H131 IonicContact OE1-NE2 3.19Å; E128-H131 IonicContact OE2-CD2 3.11Å; E128-H131 IonicContact OE2-CE1 3.98Å; E128-H131 PolarHBondContact OE2-CE1 3.21Å; E128-H131 IonicContact OE2-ND1 2.85Å; E128-H131 IonicContact OE2-NE2 3.09Å; E128-H131 PolarHBondContact OE2-NE2 3.17Å; Y129-H131 PolarHBondContact O-N 2.56Å; Y129-H131 VanDerWaalsContact O-N 3.1Å; Y129-H131 PolarHBondContact O-ND1 3.09Å; H131-C133 PolarHBondContact O-N 3.11Å; H131-V185 VanDerWaalsContact O-CA 3.29Å; H131-V185 WeakPolarHBondContact O-CA 3.26Å; H131-V186 PolarHBondContact O-N 2.78Å
132T90.2Very high87.1Confident97 Ų9764.4 Ų64.460%0.59532%0.318SS*.BIsolated β-bridgetrans-62.2133.5175.1-58.10000109
133C92.6Very high87Confident4 Ų467.4 Ų67.43%0.02734%0.336CS..PPolyproline II helixtrans-61146.1177.1-56.10000110.6H131 N135 L179 Q184 V185 C189H131-C133 PolarHBondContact O-N 3.11Å; C133-N135 PolarHBondContact O-N 3.39Å; C133-L179 HydrophobicContact CB-CD1 3.6Å; C133-L179 HydrophobicContact CB-CD2 4.02Å; C133-L179 HydrophobicContact CB-CG 4.47Å; C133-Q184 HydrophobicContact CB-CB 4.26Å; C133-Q184 PolarHBondContact N-O 3.05Å; C133-Q184 WeakPolarHBondContact SG-CB 3.32Å; C133-Q184 PolarHBondContact SG-O 2.69Å; C133-V185 VanDerWaalsContact SG-C 3.55Å; C133-V185 PolarHBondContact SG-N 2.03Å; C133-V185 VanDerWaalsContact SG-N 3.44Å; C133-C189 HydrophobicContact CB-CB 3.78Å; C133-C189 WeakPolarHBondContact CB-SG 3.38Å; C133-C189 VanDerWaalsContact SG-CA 3.51Å; C133-C189 WeakPolarHBondContact SG-CB 3.28Å; C133-C189 CovalentContact SG-SG 2.02Å; C133-C189 PolarHBondContact SG-SG 3.39Å
134I91.3Very high86.9Confident51 Ų5165 Ų6526%0.26233%0.329SS..PPolyproline II helixtrans-61.3124.4174.5-64.5166.8000108.3M122 K125 H136 Y137 Y191M122-I134 HydrophobicContact CE-CB 3.79Å; M122-I134 HydrophobicContact CE-CD1 3.73Å; M122-I134 HydrophobicContact CE-CG1 4.32Å; M122-I134 HydrophobicContact CE-CG2 4.04Å; K125-I134 HydrophobicContact CB-CD1 3.97Å; I134-H136 VanDerWaalsContact CG2-O 3.22Å; I134-H136 WeakPolarHBondContact CG2-O 2.99Å; I134-Y137 HydrophobicContact CG2-CD2 4.27Å; I134-Y191 PolarHBondContact N-OH 2.96Å; I134-Y191 WeakPolarHBondContact O-CE1 3.39Å; I134-Y191 PolarHBondContact O-OH 2.75Å
135N92.2Very high87.1Confident105 Ų10565.2 Ų65.256%0.56133%0.33SS*.SBendtrans-69.6-36.7-175-75.1-26.6000113C133 L179C133-N135 PolarHBondContact O-N 3.39Å; N135-L179 WeakPolarHBondContact O-CB 3.5Å; N135-L179 PolarHBondContact O-N 2.95Å; N135-L179 WeakPolarHBondContact OD1-CD2 3.36Å
136H90.5Very high87.4Confident52 Ų5265.7 Ų65.724%0.24134%0.335CS..EExtended strand (participates in β ladder)trans-148.9137.1-177.5169-134.3000109.3I134 T138 V176 C177 L178I134-H136 VanDerWaalsContact CG2-O 3.22Å; I134-H136 WeakPolarHBondContact CG2-O 2.99Å; H136-T138 PolarHBondContact NE2-OG1 3.3Å; H136-T138 VanDerWaalsContact NE2-OG1 3.13Å; H136-V176 WeakPolarHBondContact NE2-CG1 3.42Å; H136-C177 CarbonylContact C-O 3.54Å; H136-C177 WeakPolarHBondContact CA-O 3.49Å; H136-L178 HydrophobicContact CB-CD2 3.91Å; H136-L178 WeakPolarHBondContact CD2-CD2 3.32Å
137Y90.7Very high87.6Confident3 Ų363.6 Ų63.61%0.01233%0.325CS..EExtended strand (participates in β ladder)trans-144.4145.9173.2-159-90.9000109.8E43 M122 K125 I134 F139 C177E43-Y137 VanDerWaalsContact CB-OH 3.31Å; E43-Y137 WeakPolarHBondContact CB-OH 3.49Å; E43-Y137 HydrophobicContact CG-CE2 4.48Å; E43-Y137 VanDerWaalsContact CG-OH 3.27Å; E43-Y137 WeakPolarHBondContact CG-OH 3.4Å; E43-Y137 PolarHBondContact O-OH 3.29Å; M122-Y137 HydrophobicContact CE-CD2 4.34Å; M122-Y137 HydrophobicContact CE-CG 4.1Å; M122-Y137 WeakPolarHBondContact SD-CB 3.46Å; M122-Y137 HydrophobicContact SD-CD1 4.04Å; M122-Y137 HydrophobicContact SD-CD2 4.5Å; M122-Y137 HydrophobicContact SD-CG 3.75Å; K125-Y137 HydrophobicContact CD-CE1 4.36Å; K125-Y137 HydrophobicContact CD-CE2 4.33Å; K125-Y137 HydrophobicContact CG-CE1 4.29Å; K125-Y137 HydrophobicContact CG-CE2 4.29Å; I134-Y137 HydrophobicContact CG2-CD2 4.27Å; Y137-F139 HydrophobicContact CD1-CD1 4.37Å; Y137-F139 AromaticContact CD1-CD2 3.85Å; Y137-F139 HydrophobicContact CD1-CD2 3.85Å; Y137-F139 HydrophobicContact CD1-CE1 4.11Å; Y137-F139 AromaticContact CD1-CE2 3.53Å; Y137-F139 HydrophobicContact CD1-CE2 3.53Å; Y137-F139 HydrophobicContact CD1-CG 4.26Å; Y137-F139 AromaticContact CD1-CZ 3.67Å; Y137-F139 HydrophobicContact CD1-CZ 3.67Å; Y137-F139 AromaticContact CE1-CD1 3.98Å; Y137-F139 HydrophobicContact CE1-CD1 3.98Å; Y137-F139 HydrophobicContact CE1-CD2 4.3Å; Y137-F139 AromaticContact CE1-CE1 3.73Å; Y137-F139 HydrophobicContact CE1-CE1 3.73Å; Y137-F139 HydrophobicContact CE1-CE2 4.04Å; Y137-F139 HydrophobicContact CE1-CG 4.27Å; Y137-F139 AromaticContact CE1-CZ 3.75Å; Y137-F139 HydrophobicContact CE1-CZ 3.75Å; Y137-C177 PolarHBondContact N-O 3.15Å; Y137-C177 PolarHBondContact O-N 2.87Å
138T90.8Very high88.3Confident7 Ų761.6 Ų61.64%0.04332%0.318CS..EExtended strand (participates in β ladder)trans-125.1131.2171.9-60.80000110.1F44 H136 L174 T175 V176 M212F44-T138 WeakPolarHBondContact CD1-O 3.34Å; H136-T138 PolarHBondContact NE2-OG1 3.3Å; H136-T138 VanDerWaalsContact NE2-OG1 3.13Å; T138-L174 HydrophobicContact CG2-CB 4Å; T138-L174 HydrophobicContact CG2-CD1 4.36Å; T138-L174 HydrophobicContact CG2-CD2 4.36Å; T138-L174 HydrophobicContact CG2-CG 4.49Å; T138-T175 CarbonylContact C-O 3.58Å; T138-T175 WeakPolarHBondContact CA-O 3.39Å; T138-V176 HydrophobicContact CG2-CG2 3.93Å; T138-M212 HydrophobicContact CG2-CE 3.43Å; T138-M212 VanDerWaalsContact CG2-CE 3.43Å; T138-M212 HydrophobicContact CG2-SD 3.58Å; T138-M212 VanDerWaalsContact CG2-SD 3.58Å
139F91.1Very high89Confident0 Ų061.4 Ų61.40%032%0.317CS..EExtended strand (participates in β ladder)trans-94.5135.1169.4-64.5-88.5000109.4F44 P46 L121 M122 K125 Y137 L174 T175F44-F139 WeakPolarHBondContact O-CA 2.9Å; F44-F139 WeakPolarHBondContact O-CD1 3.16Å; P46-F139 HydrophobicContact CB-CD1 4.11Å; P46-F139 HydrophobicContact CB-CE1 4.14Å; P46-F139 HydrophobicContact CG-CD1 4.38Å; L121-F139 HydrophobicContact CB-CD2 4.25Å; L121-F139 HydrophobicContact CB-CE1 4.35Å; L121-F139 HydrophobicContact CB-CE2 3.61Å; L121-F139 HydrophobicContact CB-CZ 3.67Å; L121-F139 HydrophobicContact CD1-CD2 3.93Å; L121-F139 HydrophobicContact CD1-CE2 4.15Å; L121-F139 HydrophobicContact CD1-CG 4.3Å; M122-F139 HydrophobicContact SD-CE2 3.82Å; M122-F139 HydrophobicContact SD-CZ 4.03Å; K125-F139 HydrophobicContact CG-CE1 4.43Å; K125-F139 HydrophobicContact CG-CZ 4.07Å; Y137-F139 HydrophobicContact CD1-CD1 4.37Å; Y137-F139 AromaticContact CD1-CD2 3.85Å; Y137-F139 HydrophobicContact CD1-CD2 3.85Å; Y137-F139 HydrophobicContact CD1-CE1 4.11Å; Y137-F139 AromaticContact CD1-CE2 3.53Å; Y137-F139 HydrophobicContact CD1-CE2 3.53Å; Y137-F139 HydrophobicContact CD1-CG 4.26Å; Y137-F139 AromaticContact CD1-CZ 3.67Å; Y137-F139 HydrophobicContact CD1-CZ 3.67Å; Y137-F139 AromaticContact CE1-CD1 3.98Å; Y137-F139 HydrophobicContact CE1-CD1 3.98Å; Y137-F139 HydrophobicContact CE1-CD2 4.3Å; Y137-F139 AromaticContact CE1-CE1 3.73Å; Y137-F139 HydrophobicContact CE1-CE1 3.73Å; Y137-F139 HydrophobicContact CE1-CE2 4.04Å; Y137-F139 HydrophobicContact CE1-CG 4.27Å; Y137-F139 AromaticContact CE1-CZ 3.75Å; Y137-F139 HydrophobicContact CE1-CZ 3.75Å; F139-L174 CarbonylContact O-C 3.51Å; F139-L174 VanDerWaalsContact O-CA 3.26Å; F139-L174 WeakPolarHBondContact O-CA 3.49Å; F139-T175 PolarHBondContact N-O 3.26Å; F139-T175 PolarHBondContact O-N 3.44Å
140I90.7Very high89.8Confident1 Ų153.7 Ų53.71%0.00529%0.287CS..EExtended strand (participates in β ladder)trans-98.3131.6171.5-57.4172.3000106.8F44 W45 E142 V147 F172 L174 I210 M212F44-I140 HydrophobicContact CB-CB 4.49Å; F44-I140 HydrophobicContact CB-CD1 4.07Å; F44-I140 HydrophobicContact CB-CG1 4.16Å; F44-I140 HydrophobicContact CD1-CD1 4.01Å; F44-I140 HydrophobicContact CD1-CG1 4.21Å; F44-I140 HydrophobicContact CG-CD1 3.96Å; F44-I140 HydrophobicContact CG-CG1 4.37Å; F44-I140 PolarHBondContact O-N 3.15Å; W45-I140 VanDerWaalsContact CE3-O 3.31Å; W45-I140 HydrophobicContact CH2-CB 4.3Å; W45-I140 HydrophobicContact CH2-CG2 4.18Å; W45-I140 HydrophobicContact CZ3-CB 4.46Å; W45-I140 WeakPolarHBondContact CZ3-O 3.26Å; I140-E142 HydrophobicContact CG2-CB 4.08Å; I140-E142 HydrophobicContact CG2-CG 4.1Å; I140-E142 PolarHBondContact O-N 3.2Å; I140-V147 HydrophobicContact CG2-CG2 4.08Å; I140-F172 HydrophobicContact CG2-CB 4.26Å; I140-F172 HydrophobicContact CG2-CD2 4.01Å; I140-L174 HydrophobicContact CB-CD2 4.11Å; I140-L174 HydrophobicContact CG1-CD2 3.72Å; I140-L174 HydrophobicContact CG2-CD2 4.13Å; I140-I210 HydrophobicContact CD1-CD1 4.12Å; I140-M212 HydrophobicContact CD1-CE 4.3Å; I140-M212 HydrophobicContact CG1-CE 4.12Å
141H91.7Very high90.5Very high55 Ų5549 Ų4926%0.25527%0.265SS..  trans-99.157179.2-66.3-75000111.8E173 T175H141-E173 HydrophobicContact CB-CB 4.35Å; H141-E173 WeakPolarHBondContact CB-O 3.47Å; H141-E173 PolarHBondContact N-O 3.4Å; H141-T175 PolarHBondContact NE2-OG1 3.11Å
142E91.1Very high90.7Very high42 Ų4251.3 Ų51.320%0.19628%0.28CS..SBendtrans-122.8-159.5173-69.6-61.4162.200111.5W45 I140 T146 V147 R170 F172W45-E142 HydrophobicContact CH2-CB 3.78Å; W45-E142 WeakPolarHBondContact CH2-O 3.35Å; W45-E142 HydrophobicContact CZ3-CB 4.37Å; W45-E142 VanDerWaalsContact CZ3-N 3.31Å; W45-E142 WeakPolarHBondContact CZ3-O 3.41Å; I140-E142 HydrophobicContact CG2-CB 4.08Å; I140-E142 HydrophobicContact CG2-CG 4.1Å; I140-E142 PolarHBondContact O-N 3.2Å; E142-T146 HydrophobicContact CB-CG2 4.41Å; E142-V147 HydrophobicContact CB-CG2 4Å; E142-R170 IonicContact OE1-CZ 3.21Å; E142-R170 IonicContact OE1-NH1 3.32Å; E142-R170 PolarHBondContact OE1-NH1 3.47Å; E142-R170 IonicContact OE1-NH2 2.74Å; E142-R170 PolarHBondContact OE1-NH2 3.39Å; E142-R170 IonicContact OE2-CZ 3.01Å; E142-R170 IonicContact OE2-NH2 2.95Å; E142-R170 PolarHBondContact OE2-NH2 2.93Å; E142-F172 HydrophobicContact CB-CD2 4.49Å; E142-F172 HydrophobicContact CG-CB 3.89Å; E142-F172 HydrophobicContact CG-CD1 3.63Å; E142-F172 HydrophobicContact CG-CD2 3.66Å; E142-F172 HydrophobicContact CG-CE1 3.99Å; E142-F172 HydrophobicContact CG-CE2 4Å; E142-F172 HydrophobicContact CG-CG 3.46Å; E142-F172 VanDerWaalsContact CG-CG 3.46Å; E142-F172 HydrophobicContact CG-CZ 4.16Å; E142-F172 WeakPolarHBondContact OE1-CD1 3.17Å
143T89.9Confident90.9Very high63 Ų6347.7 Ų47.739%0.38726%0.259SS..  trans-105.4153.9163.868.20000109.8W45 S145 T146 V147W45-T143 VanDerWaalsContact CH2-C 3.43Å; W45-T143 VanDerWaalsContact CZ2-C 3.42Å; T143-S145 PolarHBondContact O-N 3.36Å; T143-S145 PolarHBondContact OG1-OG 2.67Å; T143-T146 PolarHBondContact O-N 3.24Å; T143-T146 WeakPolarHBondContact OG1-CB 3.48Å; T143-T146 PolarHBondContact OG1-N 3.5Å; T143-T146 PolarHBondContact OG1-OG1 3.32Å; T143-V147 PolarHBondContact O-N 3Å
144P86.6Confident90.9Very high68 Ų6852.9 Ų52.944%0.44229%0.292SS..Hα-helixtrans-52.1-40173-2631.9000112.8W45 V147 Q148W45-P144 HydrophobicContact CD2-CG 4.16Å; W45-P144 HydrophobicContact CG-CG 4.34Å; W45-P144 HydrophobicContact CZ2-CB 4.38Å; W45-P144 HydrophobicContact CZ2-CG 4.15Å; P144-V147 PolarHBondContact O-N 3.29Å; P144-Q148 WeakPolarHBondContact O-CB 3.17Å; P144-Q148 PolarHBondContact O-N 3.37Å
145S89.2Confident91Very high64 Ų6454.1 Ų54.145%0.44830%0.302SS..Hα-helixtrans-64.6-43176.246.30000112.6T143 V147 Q148 E149T143-S145 PolarHBondContact O-N 3.36Å; T143-S145 PolarHBondContact OG1-OG 2.67Å; S145-V147 VanDerWaalsContact C-N 3.32Å; S145-V147 PolarHBondContact O-N 2.99Å; S145-Q148 WeakPolarHBondContact O-CB 3.45Å; S145-Q148 PolarHBondContact O-N 3.25Å; S145-E149 WeakPolarHBondContact O-CB 3.3Å; S145-E149 WeakPolarHBondContact O-CG 3.47Å; S145-E149 PolarHBondContact O-N 3.37Å
146T91.6Very high90.9Very high38 Ų3851.9 Ų51.923%0.23329%0.29CS..Hα-helixtrans-64.2-38.1177.5-59.30000111.7E142 T143 E149 F172E142-T146 HydrophobicContact CB-CG2 4.41Å; T143-T146 PolarHBondContact O-N 3.24Å; T143-T146 WeakPolarHBondContact OG1-CB 3.48Å; T143-T146 PolarHBondContact OG1-N 3.5Å; T143-T146 PolarHBondContact OG1-OG1 3.32Å; T146-E149 PolarHBondContact O-N 2.94Å; T146-F172 HydrophobicContact CG2-CE1 4.37Å; T146-F172 HydrophobicContact CG2-CZ 4.02Å
147V89.8Confident90.8Very high2 Ų254.3 Ų54.31%0.01232%0.319CS..Hα-helixtrans-67.3-40.3174.4176.90000110.7L41 W45 I140 E142 T143 P144 S145 E149 V150 F172 I200 I210L41-V147 HydrophobicContact CD2-CB 4.29Å; L41-V147 HydrophobicContact CD2-CG1 3.33Å; W45-V147 HydrophobicContact CH2-CG2 3.69Å; W45-V147 HydrophobicContact CZ2-CB 4.21Å; W45-V147 HydrophobicContact CZ2-CG2 3.54Å; I140-V147 HydrophobicContact CG2-CG2 4.08Å; E142-V147 HydrophobicContact CB-CG2 4Å; T143-V147 PolarHBondContact O-N 3Å; P144-V147 PolarHBondContact O-N 3.29Å; S145-V147 VanDerWaalsContact C-N 3.32Å; S145-V147 PolarHBondContact O-N 2.99Å; V147-E149 VanDerWaalsContact C-N 3.35Å; V147-E149 PolarHBondContact O-N 2.77Å; V147-V150 VanDerWaalsContact O-CB 3.27Å; V147-V150 WeakPolarHBondContact O-CB 3.3Å; V147-V150 WeakPolarHBondContact O-CG2 3.32Å; V147-V150 PolarHBondContact O-N 2.64Å; V147-F172 HydrophobicContact CG2-CD2 4.47Å; V147-F172 HydrophobicContact CG2-CE2 4.06Å; V147-I200 HydrophobicContact CG1-CD1 3.77Å; V147-I200 HydrophobicContact CG2-CD1 4.48Å; V147-I210 HydrophobicContact CG1-CD1 4.33Å
148Q88.4Confident90.5Very high130 Ų13056 Ų5661%0.60733%0.33SS*.Hα-helixtrans-64.9-37175.8-170.8176.617.700112.6P144 S145 V150 C151P144-Q148 WeakPolarHBondContact O-CB 3.17Å; P144-Q148 PolarHBondContact O-N 3.37Å; S145-Q148 WeakPolarHBondContact O-CB 3.45Å; S145-Q148 PolarHBondContact O-N 3.25Å; Q148-V150 PolarHBondContact O-N 3.03Å; Q148-V150 VanDerWaalsContact O-N 3.15Å; Q148-C151 VanDerWaalsContact O-CB 3.26Å; Q148-C151 WeakPolarHBondContact O-CB 3.45Å; Q148-C151 PolarHBondContact O-N 3.12Å; Q148-C151 VanDerWaalsContact O-N 3.09Å; Q148-C151 PolarHBondContact O-SG 2.84Å; Q148-C151 VanDerWaalsContact O-SG 3.34Å
149E92.2Very high90.1Very high116 Ų11662.5 Ų62.554%0.54237%0.365SS..Hα-helixtrans-63.7-15.9177-78.7174.2-176.900113.5S145 T146 V147 C151 N152S145-E149 WeakPolarHBondContact O-CB 3.3Å; S145-E149 WeakPolarHBondContact O-CG 3.47Å; S145-E149 PolarHBondContact O-N 3.37Å; T146-E149 PolarHBondContact O-N 2.94Å; V147-E149 VanDerWaalsContact C-N 3.35Å; V147-E149 PolarHBondContact O-N 2.77Å; E149-C151 PolarHBondContact O-N 3.46Å; E149-C151 VanDerWaalsContact O-N 3.15Å; E149-N152 VanDerWaalsContact O-CB 3.31Å; E149-N152 WeakPolarHBondContact O-CB 3.47Å; E149-N152 PolarHBondContact O-N 2.57Å
150V92.6Very high89.5Confident2 Ų263 Ų631%0.01237%0.368CS..G310 helixtrans-55.1-32.5171175.90000110.9V147 Q148 N152 S153 H166 F172 I200 T202V147-V150 VanDerWaalsContact O-CB 3.27Å; V147-V150 WeakPolarHBondContact O-CB 3.3Å; V147-V150 WeakPolarHBondContact O-CG2 3.32Å; V147-V150 PolarHBondContact O-N 2.64Å; Q148-V150 PolarHBondContact O-N 3.03Å; Q148-V150 VanDerWaalsContact O-N 3.15Å; V150-N152 PolarHBondContact O-N 3.28Å; V150-S153 VanDerWaalsContact O-CB 3.24Å; V150-S153 WeakPolarHBondContact O-CB 3.48Å; V150-S153 PolarHBondContact O-N 3Å; V150-S153 PolarHBondContact O-OG 2.73Å; V150-H166 HydrophobicContact CG1-CB 4.06Å; V150-H166 WeakPolarHBondContact O-CB 3.38Å; V150-F172 HydrophobicContact CG2-CE2 4.06Å; V150-F172 HydrophobicContact CG2-CZ 4.01Å; V150-I200 HydrophobicContact CG2-CD1 4.01Å; V150-I200 HydrophobicContact CG2-CG1 4.18Å; V150-T202 HydrophobicContact CB-CG2 4.15Å; V150-T202 HydrophobicContact CG1-CG2 3.79Å
151C90.5Very high88.4Confident39 Ų3971.2 Ų71.226%0.26440%0.403SS..G310 helixtrans-59.9-16.5175.2-61.60000114.7Q148 E149 S153 H166 C204Q148-C151 VanDerWaalsContact O-CB 3.26Å; Q148-C151 WeakPolarHBondContact O-CB 3.45Å; Q148-C151 PolarHBondContact O-N 3.12Å; Q148-C151 VanDerWaalsContact O-N 3.09Å; Q148-C151 PolarHBondContact O-SG 2.84Å; Q148-C151 VanDerWaalsContact O-SG 3.34Å; E149-C151 PolarHBondContact O-N 3.46Å; E149-C151 VanDerWaalsContact O-N 3.15Å; C151-S153 VanDerWaalsContact C-N 3.33Å; C151-H166 PolarHBondContact O-CE1 2.92Å; C151-H166 PolarHBondContact O-ND1 2.91Å; C151-C204 WeakPolarHBondContact CA-SG 3.08Å; C151-C204 HydrophobicContact CB-CB 3.72Å; C151-C204 WeakPolarHBondContact CB-SG 3.01Å; C151-C204 WeakPolarHBondContact SG-CB 3.49Å; C151-C204 CovalentContact SG-SG 2.01Å; C151-C204 PolarHBondContact SG-SG 3.36Å
152N92.1Very high86.9Confident138 Ų13872 Ų7274%0.73843%0.426SS*.G310 helixtrans-84.7-9.5175.5-59.8-32.7000112.8E149 V150E149-N152 VanDerWaalsContact O-CB 3.31Å; E149-N152 WeakPolarHBondContact O-CB 3.47Å; E149-N152 PolarHBondContact O-N 2.57Å; V150-N152 PolarHBondContact O-N 3.28Å
153S93.4Very high85.7Confident22 Ų2271.6 Ų71.615%0.15443%0.428CS..SBendtrans-68.9159.6175.768.40000111.7V150 C151 H166 K167V150-S153 VanDerWaalsContact O-CB 3.24Å; V150-S153 WeakPolarHBondContact O-CB 3.48Å; V150-S153 PolarHBondContact O-N 3Å; V150-S153 PolarHBondContact O-OG 2.73Å; C151-S153 VanDerWaalsContact C-N 3.33Å; S153-H166 PolarHBondContact O-CE1 3.3Å; S153-H166 VanDerWaalsContact O-CE1 3.28Å; S153-H166 PolarHBondContact O-ND1 3.38Å; S153-H166 WeakPolarHBondContact OG-CB 3.31Å; S153-K167 VanDerWaalsContact CB-O 3.28Å; S153-K167 WeakPolarHBondContact CB-O 3.27Å; S153-K167 PolarHBondContact OG-N 2.98Å; S153-K167 PolarHBondContact OG-O 3.4Å; S153-K167 VanDerWaalsContact OG-O 3.1Å
154P93.4Very high85.4Confident112 Ų11275.7 Ų75.773%0.72744%0.441SS*.PPolyproline II helixtrans-57.6145.8173.5-24.434.8000112.3
155V92.4Very high85.6Confident77 Ų7772.5 Ų72.547%0.46742%0.42SS..EExtended strand (participates in β ladder)trans-67.2134.2178.1175.60000110.5K164 C165V155-K164 HydrophobicContact CB-CB 4.38Å; V155-K164 HydrophobicContact CG1-CB 3.52Å; V155-K164 HydrophobicContact CG1-CD 4.19Å; V155-K164 HydrophobicContact CG1-CG 3.71Å; V155-K164 HydrophobicContact CG2-CB 3.96Å; V155-K164 HydrophobicContact CG2-CD 3.93Å; V155-K164 HydrophobicContact CG2-CG 4.28Å; V155-C165 CarbonylContact C-O 3.58Å; V155-C165 VanDerWaalsContact CA-O 3.31Å; V155-C165 WeakPolarHBondContact CA-O 3.42Å
156I90.6Very high85.7Confident59 Ų5970.4 Ų70.430%0.30340%0.403SS..EExtended strand (participates in β ladder)trans-121.3157.1174.363.6157.9000111.5C165 K167 I201I156-C165 HydrophobicContact CG1-CB 3.85Å; I156-C165 PolarHBondContact N-O 3.09Å; I156-C165 PolarHBondContact O-N 2.97Å; I156-K167 HydrophobicContact CD1-CB 3.84Å; I156-I201 HydrophobicContact CD1-CD1 3.95Å; I156-I201 HydrophobicContact CD1-CG1 4.24Å; I156-I201 HydrophobicContact CD1-CG2 4.18Å
157A87.9Confident85.8Confident103 Ų10372.3 Ų72.385%0.85141%0.408SS*.  trans-74.4140.5168.500000110.3
158C85.2Confident86Confident37 Ų3772.3 Ų72.325%0.2541%0.408CS..  trans-157.4166.1-179.766.10000109.9C165 I201C158-C165 HydrophobicContact CB-CB 3.54Å; C158-C165 WeakPolarHBondContact CB-SG 3.1Å; C158-C165 WeakPolarHBondContact SG-CB 2.97Å; C158-C165 CovalentContact SG-SG 2Å; C158-C165 PolarHBondContact SG-SG 3.03Å; C158-I201 HydrophobicContact CB-CG2 4.27Å
159D81.3Confident86.3Confident145 Ų14571.7 Ų71.778%0.77542%0.415SS*.SBendtrans-95.28.4179.2-51.2-45.9000113.5
160L78.2Confident86.5Confident11 Ų1171.5 Ų71.56%0.05841%0.41CS..SBendtrans-70.7139.5176.1-65.3179.2000110D36 G162 I201 T203 Q209 K211D36-L160 HydrophobicContact CB-CD2 4.38Å; L160-G162 PolarHBondContact O-N 3.48Å; L160-I201 HydrophobicContact CD1-CG2 4.31Å; L160-T203 HydrophobicContact CB-CG2 3.92Å; L160-T203 HydrophobicContact CD1-CG2 4.21Å; L160-Q209 HydrophobicContact CD1-CB 4.19Å; L160-Q209 HydrophobicContact CD2-CB 4.3Å; L160-K211 HydrophobicContact CD1-CB 4.15Å; L160-K211 HydrophobicContact CD2-CB 4.24Å
161K67.2Low86.6Confident173 Ų17373.4 Ų73.475%0.75242%0.422SS*.THydrogen-bonded Turntrans-66.1123.8-175.5-77179.7-179.6171.80110.5Q209K161-Q209 PolarHBondContact O-NE2 3.1Å
162G61.2Low86.8Confident71 Ų7171.7 Ų71.773%0.73241%0.41SS*.THydrogen-bonded Turntrans104.4-6.815500000118.6L160L160-G162 PolarHBondContact O-N 3.48Å
163S66.9Low86.9Confident34 Ų3467.5 Ų67.524%0.23839%0.386CS..SBendtrans-158.6165.9-165.81.70000117.1C165 T203 D205S163-C165 PolarHBondContact O-N 3.27Å; S163-T203 WeakPolarHBondContact OG-CB 3.24Å; S163-T203 VanDerWaalsContact OG-CG2 3.31Å; S163-T203 WeakPolarHBondContact OG-CG2 3.17Å; S163-D205 VanDerWaalsContact CB-CG 3.49Å; S163-D205 WeakPolarHBondContact CB-OD2 2.99Å; S163-D205 PolarHBondContact OG-OD1 3.19Å; S163-D205 VanDerWaalsContact OG-OD1 3.09Å; S163-D205 PolarHBondContact OG-OD2 3.46Å
164K82.4Confident86.8Confident149 Ų14966.5 Ų66.565%0.64838%0.379SS*.  trans-59.4116.5162.1-68.8177.9171.7-179.10108.8V155 H166V155-K164 HydrophobicContact CB-CB 4.38Å; V155-K164 HydrophobicContact CG1-CB 3.52Å; V155-K164 HydrophobicContact CG1-CD 4.19Å; V155-K164 HydrophobicContact CG1-CG 3.71Å; V155-K164 HydrophobicContact CG2-CB 3.96Å; V155-K164 HydrophobicContact CG2-CD 3.93Å; V155-K164 HydrophobicContact CG2-CG 4.28Å; K164-H166 PolarHBondContact O-CD2 3.03Å
165C90Very high86.7Confident0 Ų061.1 Ų61.10%034%0.344CS..EExtended strand (participates in β ladder)trans-85.7155.7176.2-85.10000111.9V155 I156 C158 S163 I201 T202V155-C165 CarbonylContact C-O 3.58Å; V155-C165 VanDerWaalsContact CA-O 3.31Å; V155-C165 WeakPolarHBondContact CA-O 3.42Å; I156-C165 HydrophobicContact CG1-CB 3.85Å; I156-C165 PolarHBondContact N-O 3.09Å; I156-C165 PolarHBondContact O-N 2.97Å; C158-C165 HydrophobicContact CB-CB 3.54Å; C158-C165 WeakPolarHBondContact CB-SG 3.1Å; C158-C165 WeakPolarHBondContact SG-CB 2.97Å; C158-C165 CovalentContact SG-SG 2Å; C158-C165 PolarHBondContact SG-SG 3.03Å; S163-C165 PolarHBondContact O-N 3.27Å; C165-I201 HydrophobicContact CB-CG2 3.77Å; C165-T202 WeakPolarHBondContact CA-O 3.35Å
166H92.3Very high86.7Confident21 Ų2157.9 Ų57.910%0.09733%0.325CS..EExtended strand (participates in β ladder)trans-130.2140.6179.4-69.1-87.3000109V150 C151 S153 K164 I201 T202V150-H166 HydrophobicContact CG1-CB 4.06Å; V150-H166 WeakPolarHBondContact O-CB 3.38Å; C151-H166 PolarHBondContact O-CE1 2.92Å; C151-H166 PolarHBondContact O-ND1 2.91Å; S153-H166 PolarHBondContact O-CE1 3.3Å; S153-H166 VanDerWaalsContact O-CE1 3.28Å; S153-H166 PolarHBondContact O-ND1 3.38Å; S153-H166 WeakPolarHBondContact OG-CB 3.31Å; K164-H166 PolarHBondContact O-CD2 3.03Å; H166-I201 CarbonylContact O-C 3.58Å; H166-I201 VanDerWaalsContact O-CA 3.24Å; H166-I201 WeakPolarHBondContact O-CA 3.22Å; H166-T202 HydrophobicContact CB-CG2 4.43Å; H166-T202 PolarHBondContact N-O 3.48Å; H166-T202 PolarHBondContact O-N 2.02Å
167K93.4Very high86.9Confident77 Ų7755.1 Ų55.134%0.33531%0.31SS..EExtended strand (participates in β ladder)trans-115.2136.8-177.9-175.9-179.2175.2-178.40109.9S153 I156 Y199 I200 I201S153-K167 VanDerWaalsContact CB-O 3.28Å; S153-K167 WeakPolarHBondContact CB-O 3.27Å; S153-K167 PolarHBondContact OG-N 2.98Å; S153-K167 PolarHBondContact OG-O 3.4Å; S153-K167 VanDerWaalsContact OG-O 3.1Å; I156-K167 HydrophobicContact CD1-CB 3.84Å; K167-Y199 HydrophobicContact CD-CD1 4.42Å; K167-Y199 HydrophobicContact CG-CD1 4.37Å; K167-I200 WeakPolarHBondContact CA-O 3.36Å; K167-I201 HydrophobicContact CB-CG1 4.43Å; K167-I201 HydrophobicContact CG-CG1 4.27Å
168S95Very high87.2Confident3 Ų353.2 Ų53.22%0.02129%0.286CS..  trans-57.3141.7175.562.90000111.2R170 Y199 I200S168-R170 VanDerWaalsContact CB-O 3.29Å; S168-R170 WeakPolarHBondContact CB-O 3.42Å; S168-R170 PolarHBondContact O-N 3.25Å; S168-R170 PolarHBondContact OG-O 2.89Å; S168-Y199 WeakPolarHBondContact O-CD1 3.31Å; S168-I200 PolarHBondContact N-O 3Å; S168-I200 PolarHBondContact OG-N 3.24Å; S168-I200 VanDerWaalsContact OG-N 3.1Å
169P94.9Very high87.7Confident117 Ų11752.4 Ų52.476%0.7628%0.279SS*.SBendtrans-68.8-20.5-17927.5-34.8000112.6
170R95.9Very high88.4Confident112 Ų11247.8 Ų47.842%0.42326%0.258SS..SBendtrans-138.9161.2177.263.8172.6177.781.6-0.2110.2E142 S168 F172E142-R170 IonicContact OE1-CZ 3.21Å; E142-R170 IonicContact OE1-NH1 3.32Å; E142-R170 PolarHBondContact OE1-NH1 3.47Å; E142-R170 IonicContact OE1-NH2 2.74Å; E142-R170 PolarHBondContact OE1-NH2 3.39Å; E142-R170 IonicContact OE2-CZ 3.01Å; E142-R170 IonicContact OE2-NH2 2.95Å; E142-R170 PolarHBondContact OE2-NH2 2.93Å; S168-R170 VanDerWaalsContact CB-O 3.29Å; S168-R170 WeakPolarHBondContact CB-O 3.42Å; S168-R170 PolarHBondContact O-N 3.25Å; S168-R170 PolarHBondContact OG-O 2.89Å; R170-F172 HydrophobicContact CG-CD1 4.3Å; R170-F172 HydrophobicContact CG-CE1 4.06Å
171P95Very high89.1Confident42 Ų4254.3 Ų54.327%0.27329%0.286SS..  trans-64.5147167.929.5-35.3000110.4E197 K198P171-E197 HydrophobicContact CB-CB 4.22Å; P171-K198 CarbonylContact C-O 3.55Å; P171-K198 VanDerWaalsContact CA-O 3.3Å; P171-K198 WeakPolarHBondContact CA-O 3.36Å
172F93.9Very high90.2Very high3 Ų351.7 Ų51.71%0.01329%0.286CS..EExtended strand (participates in β ladder)trans-104.8145.5171.2-64.4-15.9000108.7I140 E142 T146 V147 V150 R170 L174 E197 K198 I200I140-F172 HydrophobicContact CG2-CB 4.26Å; I140-F172 HydrophobicContact CG2-CD2 4.01Å; E142-F172 HydrophobicContact CB-CD2 4.49Å; E142-F172 HydrophobicContact CG-CB 3.89Å; E142-F172 HydrophobicContact CG-CD1 3.63Å; E142-F172 HydrophobicContact CG-CD2 3.66Å; E142-F172 HydrophobicContact CG-CE1 3.99Å; E142-F172 HydrophobicContact CG-CE2 4Å; E142-F172 HydrophobicContact CG-CG 3.46Å; E142-F172 VanDerWaalsContact CG-CG 3.46Å; E142-F172 HydrophobicContact CG-CZ 4.16Å; E142-F172 WeakPolarHBondContact OE1-CD1 3.17Å; T146-F172 HydrophobicContact CG2-CE1 4.37Å; T146-F172 HydrophobicContact CG2-CZ 4.02Å; V147-F172 HydrophobicContact CG2-CD2 4.47Å; V147-F172 HydrophobicContact CG2-CE2 4.06Å; V150-F172 HydrophobicContact CG2-CE2 4.06Å; V150-F172 HydrophobicContact CG2-CZ 4.01Å; R170-F172 HydrophobicContact CG-CD1 4.3Å; R170-F172 HydrophobicContact CG-CE1 4.06Å; F172-L174 HydrophobicContact CB-CD2 4.48Å; F172-E197 VanDerWaalsContact O-CA 3.31Å; F172-E197 WeakPolarHBondContact O-CA 3.44Å; F172-K198 PolarHBondContact N-O 2.87Å; F172-K198 PolarHBondContact O-N 3.04Å; F172-I200 HydrophobicContact CD2-CD1 3.73Å; F172-I200 HydrophobicContact CD2-CG1 3.78Å; F172-I200 HydrophobicContact CD2-CG2 4.02Å; F172-I200 HydrophobicContact CE2-CD1 3.48Å; F172-I200 VanDerWaalsContact CE2-CD1 3.48Å; F172-I200 HydrophobicContact CE2-CG1 3.7Å
173E93.6Very high91.6Very high50 Ų5051.2 Ų51.223%0.23428%0.281CS..EExtended strand (participates in β ladder)trans-78136.2173.3-167.7-175.556.400109.7R116 H141 I195 E197R116-E173 VanDerWaalsContact CZ-CD 3.41Å; R116-E173 IonicContact CZ-OE1 3.23Å; R116-E173 IonicContact CZ-OE2 3.88Å; R116-E173 VanDerWaalsContact NH1-CD 3.29Å; R116-E173 IonicContact NH1-OE1 2.78Å; R116-E173 IonicContact NH1-OE2 3.4Å; R116-E173 PolarHBondContact NH1-OE2 2.99Å; R116-E173 IonicContact NH2-OE1 3.83Å; R116-E173 PolarHBondContact NH2-OE1 3.24Å; R116-E173 IonicContact NH2-OE2 3.71Å; R116-E173 PolarHBondContact NH2-OE2 3.08Å; H141-E173 HydrophobicContact CB-CB 4.35Å; H141-E173 WeakPolarHBondContact CB-O 3.47Å; H141-E173 PolarHBondContact N-O 3.4Å; E173-I195 HydrophobicContact CG-CG2 4.26Å; E173-E197 HydrophobicContact CB-CG 4.39Å; E173-E197 HydrophobicContact CG-CG 4.41Å
174L91.2Very high92.8Very high0 Ų050.9 Ų50.90%028%0.276CS..EExtended strand (participates in β ladder)trans-129.3146-172.1-53.9178.7000110T138 F139 I140 F172 I195 T196 K198 M212T138-L174 HydrophobicContact CG2-CB 4Å; T138-L174 HydrophobicContact CG2-CD1 4.36Å; T138-L174 HydrophobicContact CG2-CD2 4.36Å; T138-L174 HydrophobicContact CG2-CG 4.49Å; F139-L174 CarbonylContact O-C 3.51Å; F139-L174 VanDerWaalsContact O-CA 3.26Å; F139-L174 WeakPolarHBondContact O-CA 3.49Å; I140-L174 HydrophobicContact CB-CD2 4.11Å; I140-L174 HydrophobicContact CG1-CD2 3.72Å; I140-L174 HydrophobicContact CG2-CD2 4.13Å; F172-L174 HydrophobicContact CB-CD2 4.48Å; L174-I195 WeakPolarHBondContact O-CA 3.15Å; L174-T196 HydrophobicContact CB-CG2 4Å; L174-T196 WeakPolarHBondContact CB-O 3.01Å; L174-T196 HydrophobicContact CD1-CG2 4.21Å; L174-T196 PolarHBondContact N-O 3.41Å; L174-T196 PolarHBondContact O-N 2.89Å; L174-K198 HydrophobicContact CD1-CB 3.82Å; L174-K198 HydrophobicContact CD1-CD 4.34Å; L174-K198 HydrophobicContact CD1-CG 4.41Å; L174-M212 HydrophobicContact CD1-CB 4.2Å; L174-M212 HydrophobicContact CD1-CE 4.38Å; L174-M212 HydrophobicContact CD1-CG 3.86Å; L174-M212 HydrophobicContact CD1-SD 3.6Å; L174-M212 VanDerWaalsContact CD1-SD 3.6Å; L174-M212 HydrophobicContact CD2-CE 4.36Å
175T93.1Very high93.3Very high0 Ų046.8 Ų46.80%026%0.263CS..EExtended strand (participates in β ladder)trans-115.7109.9164.2-66.90000109.4R116 L121 T138 F139 H141 T193R116-T175 HydrophobicContact CB-CG2 4.44Å; R116-T175 WeakPolarHBondContact O-CG2 3.44Å; L121-T175 HydrophobicContact CD1-CG2 4.01Å; T138-T175 CarbonylContact C-O 3.58Å; T138-T175 WeakPolarHBondContact CA-O 3.39Å; F139-T175 PolarHBondContact N-O 3.26Å; F139-T175 PolarHBondContact O-N 3.44Å; H141-T175 PolarHBondContact NE2-OG1 3.11Å; T175-T193 HydrophobicContact CG2-CG2 4.12Å
176V92.3Very high93.3Very high9 Ų947.3 Ų47.36%0.05527%0.267CS..EExtended strand (participates in β ladder)trans-93.8121.2179-179.30000108.8L34 H136 T138 L178 Y194 T196L34-V176 HydrophobicContact CD2-CG1 4.32Å; L34-V176 HydrophobicContact CD2-CG2 4.23Å; H136-V176 WeakPolarHBondContact NE2-CG1 3.42Å; T138-V176 HydrophobicContact CG2-CG2 3.93Å; V176-L178 HydrophobicContact CG1-CD2 4.29Å; V176-L178 HydrophobicContact CG1-CG 4.24Å; V176-Y194 PolarHBondContact N-O 2.9Å; V176-Y194 PolarHBondContact O-N 3.34Å; V176-T196 HydrophobicContact CG2-CG2 4.16Å
177C94.6Very high93.3Very high0 Ų050 Ų500%029%0.285CS..EExtended strand (participates in β ladder)trans-107.4114.1179.7-59.30000109.9C118 M122 H136 Y137 Y191 L192C118-C177 VanDerWaalsContact CA-SG 3.58Å; C118-C177 HydrophobicContact CB-CB 3.59Å; C118-C177 WeakPolarHBondContact CB-SG 2.93Å; C118-C177 WeakPolarHBondContact SG-CA 3.38Å; C118-C177 WeakPolarHBondContact SG-CB 3.37Å; C118-C177 CovalentContact SG-SG 2.03Å; C118-C177 PolarHBondContact SG-SG 3.39Å; M122-C177 HydrophobicContact CG-CB 4.07Å; M122-C177 HydrophobicContact SD-CB 4.13Å; H136-C177 CarbonylContact C-O 3.54Å; H136-C177 WeakPolarHBondContact CA-O 3.49Å; Y137-C177 PolarHBondContact N-O 3.15Å; Y137-C177 PolarHBondContact O-N 2.87Å; C177-Y191 HydrophobicContact CB-CD1 4.05Å; C177-L192 WeakPolarHBondContact CA-O 3.39Å
178L94.7Very high93.2Very high64 Ų6451.4 Ų51.434%0.33530%0.297SS..EExtended strand (participates in β ladder)trans-109.9128.9176.6-63.6-179.9000110H136 V176 S180 Y191 L192 Y194H136-L178 HydrophobicContact CB-CD2 3.91Å; H136-L178 WeakPolarHBondContact CD2-CD2 3.32Å; V176-L178 HydrophobicContact CG1-CD2 4.29Å; V176-L178 HydrophobicContact CG1-CG 4.24Å; L178-S180 PolarHBondContact O-N 3.5Å; L178-Y191 CarbonylContact O-C 3.6Å; L178-Y191 VanDerWaalsContact O-CA 3.3Å; L178-Y191 WeakPolarHBondContact O-CA 3.36Å; L178-L192 PolarHBondContact N-O 3.28Å; L178-L192 PolarHBondContact O-N 3.16Å; L178-Y194 HydrophobicContact CB-CE2 4.4Å; L178-Y194 HydrophobicContact CD1-CD2 4.12Å; L178-Y194 HydrophobicContact CD1-CE2 3.75Å; L178-Y194 HydrophobicContact CG-CD2 4.35Å; L178-Y194 HydrophobicContact CG-CE2 4.25Å
179L95.3Very high93.2Very high20 Ų2051.9 Ų51.911%0.10530%0.3CS..EExtended strand (participates in β ladder)trans-61122.7174.5-171.671000108.7C133 N135 K181 Q184 C189 Y191C133-L179 HydrophobicContact CB-CD1 3.6Å; C133-L179 HydrophobicContact CB-CD2 4.02Å; C133-L179 HydrophobicContact CB-CG 4.47Å; N135-L179 WeakPolarHBondContact O-CB 3.5Å; N135-L179 PolarHBondContact O-N 2.95Å; N135-L179 WeakPolarHBondContact OD1-CD2 3.36Å; L179-K181 WeakPolarHBondContact CD2-O 3.48Å; L179-K181 VanDerWaalsContact CG-O 3.28Å; L179-K181 WeakPolarHBondContact CG-O 3.49Å; L179-K181 PolarHBondContact O-N 3.23Å; L179-Q184 HydrophobicContact CD1-CB 4.21Å; L179-Q184 HydrophobicContact CD2-CB 4.32Å; L179-C189 HydrophobicContact CD1-CB 4.46Å; L179-Y191 HydrophobicContact CB-CD1 4.43Å; L179-Y191 HydrophobicContact CB-CE1 4.07Å; L179-Y191 HydrophobicContact CD1-CD1 4.48Å; L179-Y191 HydrophobicContact CD1-CE1 3.96Å; L179-Y191 HydrophobicContact CD1-CE2 4.12Å
180S95.4Very high93.2Very high48 Ų4851.6 Ų51.634%0.33629%0.288SS..SBendtrans-61.7-30-172.356.10000113.5L178 Q184 H190L178-S180 PolarHBondContact O-N 3.5Å; S180-Q184 PolarHBondContact OG-NE2 3.29Å; S180-H190 VanDerWaalsContact CB-O 3.26Å; S180-H190 WeakPolarHBondContact CB-O 3.41Å; S180-H190 PolarHBondContact N-O 2.96Å; S180-H190 WeakPolarHBondContact OG-CB 3.32Å; S180-H190 PolarHBondContact OG-O 3.24Å
181K93.5Very high93.2Very high148 Ų14846.7 Ų46.764%0.64327%0.27SS*.SBendtrans-148.7140.7177.4-59.4-179-177.4173.90110.2L179 Q184L179-K181 WeakPolarHBondContact CD2-O 3.48Å; L179-K181 VanDerWaalsContact CG-O 3.28Å; L179-K181 WeakPolarHBondContact CG-O 3.49Å; L179-K181 PolarHBondContact O-N 3.23Å; K181-Q184 WeakPolarHBondContact O-CG 3.37Å; K181-Q184 PolarHBondContact O-NE2 2.83Å
182P90.5Very high93.2Very high118 Ų11848.5 Ų48.577%0.76628%0.277SS*.THydrogen-bonded Turntrans-65.5157.4177.529.2-35.7000112.1Q184P182-Q184 VanDerWaalsContact C-N 3.31Å; P182-Q184 PolarHBondContact O-N 3.19Å
183G88.8Confident93.2Very high61 Ų6150.8 Ų50.863%0.62929%0.291SS*.THydrogen-bonded Turntrans77.510.3171.700000115.4
184Q93.6Very high93Very high27 Ų2754 Ų5413%0.12630%0.302CS..  trans-68.6150.2170.6-66.4177.355.300110.4C133 L179 S180 K181 P182 N188C133-Q184 HydrophobicContact CB-CB 4.26Å; C133-Q184 PolarHBondContact N-O 3.05Å; C133-Q184 WeakPolarHBondContact SG-CB 3.32Å; C133-Q184 PolarHBondContact SG-O 2.69Å; L179-Q184 HydrophobicContact CD1-CB 4.21Å; L179-Q184 HydrophobicContact CD2-CB 4.32Å; S180-Q184 PolarHBondContact OG-NE2 3.29Å; K181-Q184 WeakPolarHBondContact O-CG 3.37Å; K181-Q184 PolarHBondContact O-NE2 2.83Å; P182-Q184 VanDerWaalsContact C-N 3.31Å; P182-Q184 PolarHBondContact O-N 3.19Å; Q184-N188 PolarHBondContact OE1-O 2.86Å
185V92.9Very high93Very high63 Ų6357 Ų5738%0.38232%0.317SS..BIsolated β-bridgetrans-127.4144.3-179.7-63.90000110.6H131 C133 N188H131-V185 VanDerWaalsContact O-CA 3.29Å; H131-V185 WeakPolarHBondContact O-CA 3.26Å; C133-V185 VanDerWaalsContact SG-C 3.55Å; C133-V185 PolarHBondContact SG-N 2.03Å; C133-V185 VanDerWaalsContact SG-N 3.44Å; V185-N188 PolarHBondContact O-N 2.79Å
186V89.9Confident92.9Very high11 Ų1159.4 Ų59.47%0.06733%0.332CS..THydrogen-bonded Turntrans-58.6131.9177.3178.50000109.6M126 Y129 N130 H131M126-V186 HydrophobicContact CB-CG2 4.16Å; M126-V186 HydrophobicContact CG-CG2 4.07Å; M126-V186 HydrophobicContact SD-CG2 4.07Å; Y129-V186 HydrophobicContact CD1-CG1 4.33Å; Y129-V186 HydrophobicContact CG-CG1 4.49Å; N130-V186 PolarHBondContact N-O 2.94Å; H131-V186 PolarHBondContact O-N 2.78Å
187P90.8Very high92.9Very high76 Ų7665.2 Ų65.249%0.49436%0.358SS..THydrogen-bonded Turncis-96.43.81238-36.9000115.4Y129 C189Y129-P187 HydrophobicContact CE1-CB 3.99Å; Y129-P187 HydrophobicContact CE1-CG 4.01Å; P187-C189 PolarHBondContact O-N 3.29Å
188N92.6Very high92.8Very high107 Ų10767.5 Ų67.557%0.57237%0.369SS*.  trans-87.547.6-171.9-58.6-51.7000112.2Q184 V185Q184-N188 PolarHBondContact OE1-O 2.86Å; V185-N188 PolarHBondContact O-N 2.79Å
189C94.5Very high92.7Very high13 Ų1368.6 Ų68.69%0.08837%0.369CS..  trans-92.2127.6179.8-51.70000110.7M126 C133 L179 P187 Y191M126-C189 HydrophobicContact CE-CB 3.51Å; M126-C189 HydrophobicContact SD-CB 4.12Å; C133-C189 HydrophobicContact CB-CB 3.78Å; C133-C189 WeakPolarHBondContact CB-SG 3.38Å; C133-C189 VanDerWaalsContact SG-CA 3.51Å; C133-C189 WeakPolarHBondContact SG-CB 3.28Å; C133-C189 CovalentContact SG-SG 2.02Å; C133-C189 PolarHBondContact SG-SG 3.39Å; L179-C189 HydrophobicContact CD1-CB 4.46Å; P187-C189 PolarHBondContact O-N 3.29Å; C189-Y191 HydrophobicContact CB-CD2 4.38Å; C189-Y191 HydrophobicContact CB-CE2 3.52Å
190H96.1Very high92.6Very high111 Ų11167.7 Ų67.751%0.51436%0.364SS..  trans-121.6128.7177.8-64.7-70.4000111N119 S180N119-H190 WeakPolarHBondContact OD1-CA 3.13Å; S180-H190 VanDerWaalsContact CB-O 3.26Å; S180-H190 WeakPolarHBondContact CB-O 3.41Å; S180-H190 PolarHBondContact N-O 2.96Å; S180-H190 WeakPolarHBondContact OG-CB 3.32Å; S180-H190 PolarHBondContact OG-O 3.24Å
191Y95.2Very high92.3Very high10 Ų1066.2 Ų66.24%0.03935%0.352CS..EExtended strand (participates in β ladder)trans-118.9149.7-174.9-67.6-92.6000112.5C118 N119 M122 M126 I134 C177 L178 L179 C189C118-Y191 HydrophobicContact CB-CG 4.39Å; N119-Y191 PolarHBondContact ND2-O 2.93Å; N119-Y191 PolarHBondContact OD1-N 3.21Å; M122-Y191 HydrophobicContact CB-CD2 4.18Å; M122-Y191 HydrophobicContact CB-CE2 3.96Å; M122-Y191 HydrophobicContact CE-CE1 4.23Å; M122-Y191 HydrophobicContact CG-CD1 4.16Å; M122-Y191 HydrophobicContact CG-CD2 4.06Å; M122-Y191 HydrophobicContact CG-CE1 4.13Å; M122-Y191 HydrophobicContact CG-CE2 4.04Å; M122-Y191 HydrophobicContact CG-CG 4.14Å; M126-Y191 HydrophobicContact CE-CD2 4.47Å; M126-Y191 HydrophobicContact CE-CE2 3.31Å; M126-Y191 VanDerWaalsContact CE-OH 3.22Å; M126-Y191 WeakPolarHBondContact CE-OH 3.22Å; I134-Y191 PolarHBondContact N-OH 2.96Å; I134-Y191 WeakPolarHBondContact O-CE1 3.39Å; I134-Y191 PolarHBondContact O-OH 2.75Å; C177-Y191 HydrophobicContact CB-CD1 4.05Å; L178-Y191 CarbonylContact O-C 3.6Å; L178-Y191 VanDerWaalsContact O-CA 3.3Å; L178-Y191 WeakPolarHBondContact O-CA 3.36Å; L179-Y191 HydrophobicContact CB-CD1 4.43Å; L179-Y191 HydrophobicContact CB-CE1 4.07Å; L179-Y191 HydrophobicContact CD1-CD1 4.48Å; L179-Y191 HydrophobicContact CD1-CE1 3.96Å; L179-Y191 HydrophobicContact CD1-CE2 4.12Å; C189-Y191 HydrophobicContact CB-CD2 4.38Å; C189-Y191 HydrophobicContact CB-CE2 3.52Å
192L94.3Very high92Very high79 Ų7959.3 Ų59.341%0.41432%0.323SS..EExtended strand (participates in β ladder)trans-93.6132.7164.5-57.5176.7000108.7C177 L178 Y194C177-L192 WeakPolarHBondContact CA-O 3.39Å; L178-L192 PolarHBondContact N-O 3.28Å; L178-L192 PolarHBondContact O-N 3.16Å; L192-Y194 HydrophobicContact CB-CD2 4.4Å; L192-Y194 HydrophobicContact CB-CE2 3.62Å; L192-Y194 HydrophobicContact CD1-CE2 4.38Å
193T93.4Very high91.9Very high51 Ų5153.8 Ų53.831%0.31329%0.286SS..EExtended strand (participates in β ladder)trans-95.1128.1175.6-66.50000110.7R116 C118 T175 I195R116-T193 WeakPolarHBondContact O-CG2 3.22Å; R116-T193 PolarHBondContact O-OG1 3.33Å; C118-T193 VanDerWaalsContact CB-OG1 3.3Å; C118-T193 WeakPolarHBondContact CB-OG1 3.43Å; C118-T193 PolarHBondContact N-OG1 3.26Å; C118-T193 PolarHBondContact SG-OG1 2.84Å; C118-T193 VanDerWaalsContact SG-OG1 3.34Å; T175-T193 HydrophobicContact CG2-CG2 4.12Å; T193-I195 HydrophobicContact CG2-CG1 4.22Å
194Y91.3Very high91.6Very high118 Ų11853.2 Ų53.246%0.46327%0.272SS..EExtended strand (participates in β ladder)trans-126.4123.1168.1-59.8-89000109.9V176 L178 L192V176-Y194 PolarHBondContact N-O 2.9Å; V176-Y194 PolarHBondContact O-N 3.34Å; L178-Y194 HydrophobicContact CB-CE2 4.4Å; L178-Y194 HydrophobicContact CD1-CD2 4.12Å; L178-Y194 HydrophobicContact CD1-CE2 3.75Å; L178-Y194 HydrophobicContact CG-CD2 4.35Å; L178-Y194 HydrophobicContact CG-CE2 4.25Å; L192-Y194 HydrophobicContact CB-CD2 4.4Å; L192-Y194 HydrophobicContact CB-CE2 3.62Å; L192-Y194 HydrophobicContact CD1-CE2 4.38Å
195I90.5Very high90.7Very high64 Ų6456.1 Ų56.133%0.32829%0.289SS..EExtended strand (participates in β ladder)trans-98.7130.7174.8-58.8163.8000107.8L113 R116 E173 L174 T193L113-I195 HydrophobicContact CD2-CD1 3.77Å; R116-I195 HydrophobicContact CB-CD1 4Å; R116-I195 HydrophobicContact CB-CG1 4.33Å; R116-I195 HydrophobicContact CG-CD1 4.32Å; E173-I195 HydrophobicContact CG-CG2 4.26Å; L174-I195 WeakPolarHBondContact O-CA 3.15Å; T193-I195 HydrophobicContact CG2-CG1 4.22Å
196T90.1Very high89.1Confident50 Ų5056.9 Ų56.931%0.30731%0.31SS..EExtended strand (participates in β ladder)trans-150159.3-179-167.40000110.9L174 V176 K198L174-T196 HydrophobicContact CB-CG2 4Å; L174-T196 WeakPolarHBondContact CB-O 3.01Å; L174-T196 HydrophobicContact CD1-CG2 4.21Å; L174-T196 PolarHBondContact N-O 3.41Å; L174-T196 PolarHBondContact O-N 2.89Å; V176-T196 HydrophobicContact CG2-CG2 4.16Å; T196-K198 HydrophobicContact CG2-CD 4.27Å; T196-K198 HydrophobicContact CG2-CG 4.38Å
197E93.2Very high87.8Confident130 Ų13059.1 Ų59.161%0.60733%0.326SS*.EExtended strand (participates in β ladder)trans-114.8124.1173.5-68.1-176.316100108.9P171 F172 E173P171-E197 HydrophobicContact CB-CB 4.22Å; F172-E197 VanDerWaalsContact O-CA 3.31Å; F172-E197 WeakPolarHBondContact O-CA 3.44Å; E173-E197 HydrophobicContact CB-CG 4.39Å; E173-E197 HydrophobicContact CG-CG 4.41Å
198K91.9Very high86.5Confident49 Ų4957.3 Ų57.321%0.21331%0.313CS..EExtended strand (participates in β ladder)trans-142155.2-178.3-75.5-179.4159.5-89.40111.7L34 P171 F172 L174 T196 M212 V213L34-K198 HydrophobicContact CD1-CD 3.25Å; P171-K198 CarbonylContact C-O 3.55Å; P171-K198 VanDerWaalsContact CA-O 3.3Å; P171-K198 WeakPolarHBondContact CA-O 3.36Å; F172-K198 PolarHBondContact N-O 2.87Å; F172-K198 PolarHBondContact O-N 3.04Å; L174-K198 HydrophobicContact CD1-CB 3.82Å; L174-K198 HydrophobicContact CD1-CD 4.34Å; L174-K198 HydrophobicContact CD1-CG 4.41Å; T196-K198 HydrophobicContact CG2-CD 4.27Å; T196-K198 HydrophobicContact CG2-CG 4.38Å; K198-M212 HydrophobicContact CB-CB 4.38Å; K198-M212 HydrophobicContact CD-CB 4.09Å; K198-V213 PolarHBondContact NZ-OXT 3Å
199Y93.9Very high85.8Confident87 Ų8753.3 Ų53.334%0.34129%0.291SS..  trans-73.9143.5167.6-68-88.4000109.2K167 S168 M212 V213K167-Y199 HydrophobicContact CD-CD1 4.42Å; K167-Y199 HydrophobicContact CG-CD1 4.37Å; S168-Y199 WeakPolarHBondContact O-CD1 3.31Å; Y199-M212 CarbonylContact O-C 3.53Å; Y199-M212 WeakPolarHBondContact O-CA 3.27Å; Y199-V213 PolarHBondContact N-O 3.38Å; Y199-V213 PolarHBondContact O-N 3.04Å
200I91.6Very high85.1Confident0 Ų052.8 Ų52.80%029%0.288CS..EExtended strand (participates in β ladder)trans-99.8140.1168.868.9162.8000109.8V147 V150 K167 S168 F172 I210 K211 M212V147-I200 HydrophobicContact CG1-CD1 3.77Å; V147-I200 HydrophobicContact CG2-CD1 4.48Å; V150-I200 HydrophobicContact CG2-CD1 4.01Å; V150-I200 HydrophobicContact CG2-CG1 4.18Å; K167-I200 WeakPolarHBondContact CA-O 3.36Å; S168-I200 PolarHBondContact N-O 3Å; S168-I200 PolarHBondContact OG-N 3.24Å; S168-I200 VanDerWaalsContact OG-N 3.1Å; F172-I200 HydrophobicContact CD2-CD1 3.73Å; F172-I200 HydrophobicContact CD2-CG1 3.78Å; F172-I200 HydrophobicContact CD2-CG2 4.02Å; F172-I200 HydrophobicContact CE2-CD1 3.48Å; F172-I200 VanDerWaalsContact CE2-CD1 3.48Å; F172-I200 HydrophobicContact CE2-CG1 3.7Å; I200-I210 HydrophobicContact CB-CG2 4.05Å; I200-I210 HydrophobicContact CG2-CG2 4.28Å; I200-K211 CarbonylContact C-O 3.55Å; I200-K211 WeakPolarHBondContact CA-O 3.43Å; I200-M212 HydrophobicContact CG2-CG 4.34Å
201I90.4Very high84.5Confident18 Ų1850.1 Ų50.19%0.09228%0.275CS..EExtended strand (participates in β ladder)trans-115.8125.7170.8-60.1-178.8000106.7I156 C158 L160 C165 H166 K167 I210 K211 V213I156-I201 HydrophobicContact CD1-CD1 3.95Å; I156-I201 HydrophobicContact CD1-CG1 4.24Å; I156-I201 HydrophobicContact CD1-CG2 4.18Å; C158-I201 HydrophobicContact CB-CG2 4.27Å; L160-I201 HydrophobicContact CD1-CG2 4.31Å; C165-I201 HydrophobicContact CB-CG2 3.77Å; H166-I201 CarbonylContact O-C 3.58Å; H166-I201 VanDerWaalsContact O-CA 3.24Å; H166-I201 WeakPolarHBondContact O-CA 3.22Å; K167-I201 HydrophobicContact CB-CG1 4.43Å; K167-I201 HydrophobicContact CG-CG1 4.27Å; I201-I210 WeakPolarHBondContact O-CA 3.33Å; I201-K211 HydrophobicContact CB-CB 4.3Å; I201-K211 PolarHBondContact N-O 3.4Å; I201-K211 PolarHBondContact O-N 2.89Å; I201-V213 HydrophobicContact CD1-CB 4.31Å; I201-V213 HydrophobicContact CD1-CG2 3.48Å; I201-V213 VanDerWaalsContact CD1-CG2 3.48Å; I201-V213 HydrophobicContact CG1-CG2 4.03Å
202T87.3Confident84Confident3 Ų350.5 Ų50.52%0.01828%0.277CS..EExtended strand (participates in β ladder)trans-132.6152.7-177.5-170.20000112.5V150 C165 H166 T208 Q209V150-T202 HydrophobicContact CB-CG2 4.15Å; V150-T202 HydrophobicContact CG1-CG2 3.79Å; C165-T202 WeakPolarHBondContact CA-O 3.35Å; H166-T202 HydrophobicContact CB-CG2 4.43Å; H166-T202 PolarHBondContact N-O 3.48Å; H166-T202 PolarHBondContact O-N 2.02Å; T202-T208 WeakPolarHBondContact OG1-CG2 3.49Å; T202-Q209 VanDerWaalsContact CA-O 3.25Å; T202-Q209 WeakPolarHBondContact CA-O 3.47Å; T202-Q209 PolarHBondContact OG1-O 3.44Å
203T87.4Confident83.4Confident1 Ų151 Ų511%0.00628%0.283CS..EExtended strand (participates in β ladder)trans-92.4147.7162.652.90000109.8L160 S163 S207 Q209L160-T203 HydrophobicContact CB-CG2 3.92Å; L160-T203 HydrophobicContact CD1-CG2 4.21Å; S163-T203 WeakPolarHBondContact OG-CB 3.24Å; S163-T203 VanDerWaalsContact OG-CG2 3.31Å; S163-T203 WeakPolarHBondContact OG-CG2 3.17Å; T203-S207 PolarHBondContact OG1-O 3.43Å; T203-Q209 PolarHBondContact N-O 2.95Å; T203-Q209 PolarHBondContact OG1-N 3.26Å; T203-Q209 VanDerWaalsContact OG1-N 3.15Å
204C83.1Confident82.9Confident50 Ų5051 Ų5134%0.33828%0.281SS..  trans-124.213-172.3-58.30000113.3C151 G206C151-C204 WeakPolarHBondContact CA-SG 3.08Å; C151-C204 HydrophobicContact CB-CB 3.72Å; C151-C204 WeakPolarHBondContact CB-SG 3.01Å; C151-C204 WeakPolarHBondContact SG-CB 3.49Å; C151-C204 CovalentContact SG-SG 2.01Å; C151-C204 PolarHBondContact SG-SG 3.36Å; C204-G206 PolarHBondContact O-N 3.33Å
205D73.6Confident82.5Confident87 Ų8747.4 Ų47.447%0.46527%0.272SS..SBendtrans-95.425-17267.3-19000113.9S163 S207S163-D205 VanDerWaalsContact CB-CG 3.49Å; S163-D205 WeakPolarHBondContact CB-OD2 2.99Å; S163-D205 PolarHBondContact OG-OD1 3.19Å; S163-D205 VanDerWaalsContact OG-OD1 3.09Å; S163-D205 PolarHBondContact OG-OD2 3.46Å; D205-S207 PolarHBondContact OD1-OG 3.34Å
206G59.5Low82.1Confident80 Ų8046.5 Ų46.583%0.82527%0.268SS*.SBendtrans92.5-13.7178.100000114.9C204C204-G206 PolarHBondContact O-N 3.33Å
207S62.4Low81.6Confident58 Ų5846.3 Ų46.341%0.40627%0.266SS..SBendtrans-106.5101.7161.767.80000108.3T203 D205 Q209T203-S207 PolarHBondContact OG1-O 3.43Å; D205-S207 PolarHBondContact OD1-OG 3.34Å; S207-Q209 PolarHBondContact O-N 2.92Å
208T65.4Low80.9Confident38 Ų3841.1 Ų41.123%0.23325%0.245CC..  trans-81.3104.7179.7-48.40000109.9L41 T202 I210L41-T208 HydrophobicContact CD1-CG2 3.59Å; L41-T208 WeakPolarHBondContact CD1-OG1 3.47Å; L41-T208 HydrophobicContact CD2-CG2 4Å; L41-T208 HydrophobicContact CG-CG2 3.39Å; T202-T208 WeakPolarHBondContact OG1-CG2 3.49Å; T208-I210 HydrophobicContact CG2-CD1 4.33Å; T208-I210 HydrophobicContact CG2-CG1 3.97Å
209Q76.3Confident80.1Confident22 Ų2240.5 Ų40.510%0.10325%0.247CC..  trans-103.6132.6167.5-68.8166.578.900107.9L160 K161 T202 T203 S207L160-Q209 HydrophobicContact CD1-CB 4.19Å; L160-Q209 HydrophobicContact CD2-CB 4.3Å; K161-Q209 PolarHBondContact O-NE2 3.1Å; T202-Q209 VanDerWaalsContact CA-O 3.25Å; T202-Q209 WeakPolarHBondContact CA-O 3.47Å; T202-Q209 PolarHBondContact OG1-O 3.44Å; T203-Q209 PolarHBondContact N-O 2.95Å; T203-Q209 PolarHBondContact OG1-N 3.26Å; T203-Q209 VanDerWaalsContact OG1-N 3.15Å; S207-Q209 PolarHBondContact O-N 2.92Å
210I79.6Confident79.1Confident3 Ų337.2 Ų37.22%0.01524%0.24CC..EExtended strand (participates in β ladder)trans-118.5127177.9-55.7-175.6000109.8S37 L41 F44 I140 V147 I200 I201 T208S37-I210 PolarHBondContact N-O 3.39Å; S37-I210 PolarHBondContact O-N 3.26Å; L41-I210 HydrophobicContact CD2-CD1 3.78Å; F44-I210 HydrophobicContact CD2-CD1 3.94Å; F44-I210 HydrophobicContact CE2-CD1 3.56Å; F44-I210 HydrophobicContact CE2-CG1 4.19Å; F44-I210 HydrophobicContact CZ-CB 4.16Å; F44-I210 HydrophobicContact CZ-CD1 3.97Å; F44-I210 HydrophobicContact CZ-CG1 4.29Å; I140-I210 HydrophobicContact CD1-CD1 4.12Å; V147-I210 HydrophobicContact CG1-CD1 4.33Å; I200-I210 HydrophobicContact CB-CG2 4.05Å; I200-I210 HydrophobicContact CG2-CG2 4.28Å; I201-I210 WeakPolarHBondContact O-CA 3.33Å; T208-I210 HydrophobicContact CG2-CD1 4.33Å; T208-I210 HydrophobicContact CG2-CG1 3.97Å
211K84.3Confident78.2Confident55 Ų5540.1 Ų40.124%0.23926%0.259CS..EExtended strand (participates in β ladder)trans-115.2135.1172.4-179.4174.6-169.4164.80110.3D36 L160 I200 I201 V213D36-K211 WeakPolarHBondContact OD1-CB 3.37Å; D36-K211 VanDerWaalsContact OD1-CD 3.29Å; D36-K211 WeakPolarHBondContact OD1-CD 3.41Å; D36-K211 VanDerWaalsContact OD1-CG 3.26Å; D36-K211 WeakPolarHBondContact OD1-CG 3.29Å; L160-K211 HydrophobicContact CD1-CB 4.15Å; L160-K211 HydrophobicContact CD2-CB 4.24Å; I200-K211 CarbonylContact C-O 3.55Å; I200-K211 WeakPolarHBondContact CA-O 3.43Å; I201-K211 HydrophobicContact CB-CB 4.3Å; I201-K211 PolarHBondContact N-O 3.4Å; I201-K211 PolarHBondContact O-N 2.89Å; K211-V213 HydrophobicContact CD-CG2 4.28Å; K211-V213 HydrophobicContact CG-CG2 3.98Å
212M85.8Confident77.2Confident17 Ų1741.9 Ų41.98%0.08427%0.273CS..EExtended strand (participates in β ladder)trans-106.7117-178.8-64.1160.6-175.300109.8L34 F44 T138 I140 L174 K198 Y199 I200L34-M212 HydrophobicContact CB-CB 4.42Å; L34-M212 HydrophobicContact CD1-CB 3.64Å; L34-M212 HydrophobicContact CD1-SD 4.38Å; F44-M212 HydrophobicContact CD1-CE 4.49Å; F44-M212 HydrophobicContact CE1-CE 4.28Å; T138-M212 HydrophobicContact CG2-CE 3.43Å; T138-M212 VanDerWaalsContact CG2-CE 3.43Å; T138-M212 HydrophobicContact CG2-SD 3.58Å; T138-M212 VanDerWaalsContact CG2-SD 3.58Å; I140-M212 HydrophobicContact CD1-CE 4.3Å; I140-M212 HydrophobicContact CG1-CE 4.12Å; L174-M212 HydrophobicContact CD1-CB 4.2Å; L174-M212 HydrophobicContact CD1-CE 4.38Å; L174-M212 HydrophobicContact CD1-CG 3.86Å; L174-M212 HydrophobicContact CD1-SD 3.6Å; L174-M212 VanDerWaalsContact CD1-SD 3.6Å; L174-M212 HydrophobicContact CD2-CE 4.36Å; K198-M212 HydrophobicContact CB-CB 4.38Å; K198-M212 HydrophobicContact CD-CB 4.09Å; Y199-M212 CarbonylContact O-C 3.53Å; Y199-M212 WeakPolarHBondContact O-CA 3.27Å; I200-M212 HydrophobicContact CG2-CG 4.34Å
213V81.6Confident76.3Confident89 Ų8945.5 Ų45.554%0.53930%0.296SS..  trans-115.90-173.4-170.90000110.7K198 Y199 I201 K211K198-V213 PolarHBondContact NZ-OXT 3Å; Y199-V213 PolarHBondContact N-O 3.38Å; Y199-V213 PolarHBondContact O-N 3.04Å; I201-V213 HydrophobicContact CD1-CB 4.31Å; I201-V213 HydrophobicContact CD1-CG2 3.48Å; I201-V213 VanDerWaalsContact CD1-CG2 3.48Å; I201-V213 HydrophobicContact CG1-CG2 4.03Å; K211-V213 HydrophobicContact CD-CG2 4.28Å; K211-V213 HydrophobicContact CG-CG2 3.98Å

Retrieved 213 of 213 residues in 191.7 ms (Link to these results)

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