A0A096N207_PAPAN Loading...

Cytidine deaminase

This enzyme scavenges exogenous and endogenous cytidine and 2'-deoxycytidine for UMP synthesis.

AlphaFold DB (A0A5F8A878), UniProt , Accession A0A096N207, Species PAPAN (Papio anubis, Olive baboon), Gene PINK1, Length 146 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
1M34.3Very low51.2Low240 Ų240118.8 Ų118.8100%1.18267%0.672SS**  0113.80-69.7178.7175.100106.8Q3M1-Q3 PolarHBondContact O-N 3.32Å
2A32.8Very low54.3Low108 Ų108117.8 Ų117.889%0.89367%0.673SS**  trans-66.2118.8-172.500000110.1K4A2-K4 PolarHBondContact O-N 3.28Å; A2-K4 VanDerWaalsContact O-N 3.12Å
3Q34.8Very low57.2Low192 Ų192120.6 Ų120.690%0.89768%0.677SS**  trans-62.1111.5170.4-73173.1-8.300107.7M1M1-Q3 PolarHBondContact O-N 3.32Å
4K37.2Very low59.8Low193 Ų193114.4 Ų114.484%0.83965%0.645SS**PPolyproline II helixtrans-64129.1171.8-154.7175.9-175.2-1780106.6A2A2-K4 PolarHBondContact O-N 3.28Å; A2-K4 VanDerWaalsContact O-N 3.12Å
5P39Very low62.1Low104 Ų104107.3 Ų107.368%0.67561%0.605SS**PPolyproline II helixtrans-60.1137.6179.623.4-31.1000109.2
6P46.4Very low64.2Low73 Ų73108.1 Ų108.147%0.47460%0.602SS.*PPolyproline II helixtrans-61142.9-179.624.1-31000109.9C8P6-C8 PolarHBondContact O-N 3.47Å
7A46.2Very low66.1Low75 Ų75108.2 Ų108.262%0.6260%0.597SS**SBendtrans-66.211.5-165.200000116.4N112A7-N112 WeakPolarHBondContact CB-ND2 3.45Å
8C54.8Low67.9Low56 Ų56102.3 Ų102.338%0.37857%0.565SS.*  trans-160.293.9171.5-165.10000108.9P6 L10P6-C8 PolarHBondContact O-N 3.47Å; C8-L10 PolarHBondContact O-N 3.27Å
9T65.2Low69.5Low125 Ų12597.8 Ų97.877%0.76754%0.54SS*.  trans-69.6103.2170.5-43.60000107.7
10L83.7Confident70.9Confident9 Ų996.6 Ų96.65%0.04754%0.535CS..  trans-57.4143.4170-85.5165.2000110C8 C14 V15 L43 K83 A84 Y116C8-L10 PolarHBondContact O-N 3.27Å; L10-C14 HydrophobicContact CD2-CB 4.14Å; L10-V15 HydrophobicContact CB-CG2 3.59Å; L10-V15 HydrophobicContact CD1-CG2 4.35Å; L10-L43 HydrophobicContact CD1-CD2 4.48Å; L10-L43 HydrophobicContact CD2-CD2 3.57Å; L10-K83 HydrophobicContact CD2-CD 3.77Å; L10-K83 VanDerWaalsContact CD2-CE 3.49Å; L10-K83 HydrophobicContact CD2-CG 4.05Å; L10-A84 HydrophobicContact CD1-CB 3.39Å; L10-Y116 HydrophobicContact CD1-CE2 3.81Å; L10-Y116 WeakPolarHBondContact CD1-OH 3.48Å
11Q88.9Confident72.2Confident132 Ų13292.8 Ų92.862%0.61752%0.515SS*.  trans-60.3140.9172-70.5-175.2-33.400109.7E13 C14 V15Q11-E13 PolarHBondContact O-N 3.29Å; Q11-E13 VanDerWaalsContact O-N 3.15Å; Q11-C14 WeakPolarHBondContact O-CB 3.28Å; Q11-C14 PolarHBondContact O-N 3.1Å; Q11-V15 PolarHBondContact O-N 2.67Å; Q11-V15 VanDerWaalsContact O-N 3.12Å
12P88.8Confident75.3Confident106 Ų10681.3 Ų81.369%0.68846%0.458SS*.Hα-helixtrans-54.1-37.4-176.2-28.535.3000113.9V15 Q16P12-V15 PolarHBondContact O-N 3.19Å; P12-Q16 WeakPolarHBondContact O-CG 3.43Å; P12-Q16 PolarHBondContact O-N 3.11Å
13E91.5Very high78.4Confident155 Ų15578.6 Ų78.672%0.72443%0.427SS*.Hα-helixtrans-63.2-43.6177.3-66.5166-165.300112Q11 V15 Q16 Q17Q11-E13 PolarHBondContact O-N 3.29Å; Q11-E13 VanDerWaalsContact O-N 3.15Å; E13-V15 VanDerWaalsContact C-N 3.31Å; E13-V15 PolarHBondContact O-N 2.94Å; E13-Q16 PolarHBondContact O-N 2.69Å; E13-Q17 WeakPolarHBondContact O-CB 3.25Å; E13-Q17 PolarHBondContact O-N 2.87Å
14C93.2Very high81.4Confident33 Ų3373.4 Ų73.422%0.22340%0.403CS..Hα-helixtrans-63.2-39.1175.4-61.70000111.5L10 Q11 Q17 L18 L43L10-C14 HydrophobicContact CD2-CB 4.14Å; Q11-C14 WeakPolarHBondContact O-CB 3.28Å; Q11-C14 PolarHBondContact O-N 3.1Å; C14-Q17 PolarHBondContact O-N 2.86Å; C14-L18 WeakPolarHBondContact O-CB 3.36Å; C14-L18 PolarHBondContact O-N 3.11Å; C14-L43 HydrophobicContact CB-CD2 4.49Å
15V95.2Very high84.4Confident9 Ų964.5 Ų64.56%0.05537%0.365CS..Hα-helixtrans-62.6-50.4176.4178.10000109.9L10 Q11 P12 E13 Q17 L18 L19 Y116 Y124L10-V15 HydrophobicContact CB-CG2 3.59Å; L10-V15 HydrophobicContact CD1-CG2 4.35Å; Q11-V15 PolarHBondContact O-N 2.67Å; Q11-V15 VanDerWaalsContact O-N 3.12Å; P12-V15 PolarHBondContact O-N 3.19Å; E13-V15 VanDerWaalsContact C-N 3.31Å; E13-V15 PolarHBondContact O-N 2.94Å; V15-Q17 VanDerWaalsContact C-N 3.32Å; V15-Q17 PolarHBondContact O-N 3.04Å; V15-L18 WeakPolarHBondContact O-CB 3.41Å; V15-L18 PolarHBondContact O-N 2.96Å; V15-L18 VanDerWaalsContact O-N 3.1Å; V15-L19 HydrophobicContact CG1-CD1 3.95Å; V15-L19 HydrophobicContact CG1-CG 4.26Å; V15-L19 VanDerWaalsContact O-CG 3.28Å; V15-L19 WeakPolarHBondContact O-CG 3.46Å; V15-L19 PolarHBondContact O-N 2.95Å; V15-Y116 HydrophobicContact CG1-CD1 4.13Å; V15-Y116 HydrophobicContact CG1-CE1 3.64Å; V15-Y116 HydrophobicContact CG2-CE1 4.13Å; V15-Y124 HydrophobicContact CG1-CE1 4.41Å
16Q95.3Very high87.2Confident119 Ų11960.8 Ų60.856%0.55634%0.338SS*.Hα-helixtrans-55.7-47.1177.7-74.1-68.6-24.300111.8P12 E13 L18 L19 V20P12-Q16 WeakPolarHBondContact O-CG 3.43Å; P12-Q16 PolarHBondContact O-N 3.11Å; E13-Q16 PolarHBondContact O-N 2.69Å; Q16-L18 VanDerWaalsContact C-N 3.31Å; Q16-L18 PolarHBondContact O-N 2.96Å; Q16-L19 PolarHBondContact O-N 3.2Å; Q16-V20 WeakPolarHBondContact O-CG2 3.42Å; Q16-V20 PolarHBondContact O-N 2.91Å
17Q97Very high89.7Confident111 Ų11165.9 Ų65.952%0.51935%0.353SS..Hα-helixtrans-60.2-41.2177.5-168.6-179.16.700112E13 C14 V15 V20 C21 I49E13-Q17 WeakPolarHBondContact O-CB 3.25Å; E13-Q17 PolarHBondContact O-N 2.87Å; C14-Q17 PolarHBondContact O-N 2.86Å; V15-Q17 VanDerWaalsContact C-N 3.32Å; V15-Q17 PolarHBondContact O-N 3.04Å; Q17-V20 PolarHBondContact O-N 3.06Å; Q17-C21 VanDerWaalsContact O-CB 3.3Å; Q17-C21 WeakPolarHBondContact O-CB 3.41Å; Q17-C21 PolarHBondContact O-N 3.25Å; Q17-C21 PolarHBondContact O-SG 3.21Å; Q17-I49 HydrophobicContact CB-CD1 4.4Å; Q17-I49 HydrophobicContact CG-CD1 3.71Å
18L97.6Very high92.2Very high2 Ų266.6 Ų66.61%0.0135%0.354CS..Hα-helixtrans-65.6-42.5179.5-160.363.7000112C14 V15 Q16 C21 S22 A41 L43 I49 A84 A86 Y116C14-L18 WeakPolarHBondContact O-CB 3.36Å; C14-L18 PolarHBondContact O-N 3.11Å; V15-L18 WeakPolarHBondContact O-CB 3.41Å; V15-L18 PolarHBondContact O-N 2.96Å; V15-L18 VanDerWaalsContact O-N 3.1Å; Q16-L18 VanDerWaalsContact C-N 3.31Å; Q16-L18 PolarHBondContact O-N 2.96Å; L18-C21 PolarHBondContact O-N 3.44Å; L18-S22 PolarHBondContact O-N 3.2Å; L18-A41 HydrophobicContact CD1-CB 3.84Å; L18-A41 VanDerWaalsContact CD1-O 3.24Å; L18-A41 WeakPolarHBondContact CD1-O 3.24Å; L18-A41 HydrophobicContact CG-CB 4.41Å; L18-A41 WeakPolarHBondContact O-CB 3.38Å; L18-L43 HydrophobicContact CD1-CB 3.83Å; L18-L43 HydrophobicContact CD2-CB 4.39Å; L18-I49 HydrophobicContact CD1-CD1 4.36Å; L18-I49 HydrophobicContact CD1-CG1 4.42Å; L18-I49 HydrophobicContact CD1-CG2 4.46Å; L18-A84 HydrophobicContact CD2-CB 3.73Å; L18-A86 HydrophobicContact CB-CB 4.41Å; L18-A86 HydrophobicContact CD2-CB 4.06Å; L18-A86 HydrophobicContact CG-CB 3.74Å; L18-Y116 HydrophobicContact CD2-CD2 4.37Å
19L97.9Very high94.3Very high17 Ų1765 Ų659%0.08935%0.345CS..Hα-helixtrans-64.7-44.6176.9-63.3174000111.7V15 Q16 C21 S22 Q23 A86 T118 Y124V15-L19 HydrophobicContact CG1-CD1 3.95Å; V15-L19 HydrophobicContact CG1-CG 4.26Å; V15-L19 VanDerWaalsContact O-CG 3.28Å; V15-L19 WeakPolarHBondContact O-CG 3.46Å; V15-L19 PolarHBondContact O-N 2.95Å; Q16-L19 PolarHBondContact O-N 3.2Å; L19-C21 VanDerWaalsContact C-N 3.35Å; L19-S22 PolarHBondContact O-N 3.04Å; L19-S22 PolarHBondContact O-OG 3.49Å; L19-Q23 WeakPolarHBondContact O-CG 3.49Å; L19-Q23 PolarHBondContact O-N 2.92Å; L19-Q23 VanDerWaalsContact O-N 3.17Å; L19-A86 HydrophobicContact CD2-CB 4.18Å; L19-T118 HydrophobicContact CD2-CG2 3.33Å; L19-Y124 HydrophobicContact CD1-CD1 3.74Å; L19-Y124 HydrophobicContact CD1-CE1 3.67Å; L19-Y124 HydrophobicContact CD2-CD1 4.18Å
20V98.2Very high95.9Very high72 Ų7264.8 Ų64.844%0.43633%0.331SS..Hα-helixtrans-62.5-45.1176.2171.60000110.4Q16 Q17 S22 Q23 E24Q16-V20 WeakPolarHBondContact O-CG2 3.42Å; Q16-V20 PolarHBondContact O-N 2.91Å; Q17-V20 PolarHBondContact O-N 3.06Å; V20-S22 VanDerWaalsContact C-N 3.34Å; V20-S22 PolarHBondContact O-N 3.29Å; V20-Q23 PolarHBondContact O-N 3.02Å; V20-E24 HydrophobicContact CG1-CG 4.42Å; V20-E24 WeakPolarHBondContact O-CG 3.47Å; V20-E24 PolarHBondContact O-N 3.42Å
21C98.6Very high96.6Very high17 Ų1765.2 Ų65.212%0.11533%0.334CS..Hα-helixtrans-62.6-37.2179.6-73.30000112.8Q17 L18 L19 E24 A25 A41 I49 K51Q17-C21 VanDerWaalsContact O-CB 3.3Å; Q17-C21 WeakPolarHBondContact O-CB 3.41Å; Q17-C21 PolarHBondContact O-N 3.25Å; Q17-C21 PolarHBondContact O-SG 3.21Å; L18-C21 PolarHBondContact O-N 3.44Å; L19-C21 VanDerWaalsContact C-N 3.35Å; C21-E24 PolarHBondContact O-N 3.31Å; C21-A25 WeakPolarHBondContact O-CB 3.36Å; C21-A25 PolarHBondContact O-N 2.92Å; C21-A41 HydrophobicContact CB-CB 3.56Å; C21-I49 HydrophobicContact CB-CG2 4.05Å; C21-K51 HydrophobicContact CB-CD 4.06Å; C21-K51 HydrophobicContact CB-CG 4.18Å; C21-K51 WeakPolarHBondContact O-CD 3.24Å
22S98.7Very high97Very high0 Ų061.6 Ų61.60%032%0.322CS..Hα-helixtrans-69-40.3177.768.90000111.3L18 L19 V20 A25 K26 G39 A86L18-S22 PolarHBondContact O-N 3.2Å; L19-S22 PolarHBondContact O-N 3.04Å; L19-S22 PolarHBondContact O-OG 3.49Å; V20-S22 VanDerWaalsContact C-N 3.34Å; V20-S22 PolarHBondContact O-N 3.29Å; S22-A25 PolarHBondContact O-N 3.31Å; S22-K26 PolarHBondContact O-N 2.98Å; S22-G39 WeakPolarHBondContact O-CA 3.39Å; S22-A86 WeakPolarHBondContact CB-O 3.48Å
23Q98.3Very high97.5Very high51 Ų5160.6 Ų60.624%0.23831%0.305CS..Hα-helixtrans-64.4-39.7174.4-68.7-68.2-1000112.3L19 V20 K26 A88L19-Q23 WeakPolarHBondContact O-CG 3.49Å; L19-Q23 PolarHBondContact O-N 2.92Å; L19-Q23 VanDerWaalsContact O-N 3.17Å; V20-Q23 PolarHBondContact O-N 3.02Å; Q23-K26 WeakPolarHBondContact O-CB 3.32Å; Q23-A88 VanDerWaalsContact CD-CB 3.47Å; Q23-A88 HydrophobicContact CG-CB 4.05Å
24E98.5Very high97.8Very high82 Ų8256 Ų5638%0.38329%0.291SS..Hα-helixtrans-64.4-43.2173.5-75.4-178.8176.300112.5V20 C21 K26 K27 K51V20-E24 HydrophobicContact CG1-CG 4.42Å; V20-E24 WeakPolarHBondContact O-CG 3.47Å; V20-E24 PolarHBondContact O-N 3.42Å; C21-E24 PolarHBondContact O-N 3.31Å; E24-K26 PolarHBondContact O-N 3.04Å; E24-K27 WeakPolarHBondContact O-CB 3.38Å; E24-K27 PolarHBondContact O-N 3.45Å; E24-K27 VanDerWaalsContact O-N 3.12Å; E24-K51 IonicContact OE2-NZ 3.36Å; E24-K51 PolarHBondContact OE2-NZ 3.12Å
25A98.8Very high98.1Very high7 Ų761.5 Ų61.56%0.05831%0.312CS..Hα-helixtrans-60-35.7-17800000111.9C21 S22 K27 S28 K51 G52 C53C21-A25 WeakPolarHBondContact O-CB 3.36Å; C21-A25 PolarHBondContact O-N 2.92Å; S22-A25 PolarHBondContact O-N 3.31Å; A25-K27 PolarHBondContact O-N 3.06Å; A25-K27 VanDerWaalsContact O-N 3.15Å; A25-S28 PolarHBondContact O-N 3.32Å; A25-K51 HydrophobicContact CB-CB 3.86Å; A25-K51 HydrophobicContact CB-CD 4.19Å; A25-K51 HydrophobicContact CB-CG 4.22Å; A25-G52 VanDerWaalsContact CB-O 3.28Å; A25-G52 WeakPolarHBondContact CB-O 3.3Å; A25-C53 WeakPolarHBondContact O-CB 3.26Å
26K98.1Very high98.2Very high25 Ų2564.5 Ų64.511%0.10933%0.325CS..Hα-helixtrans-53.2-33.5176.3-174.9176.659.4176.90112.9S22 Q23 E24 S28 A29 P37 S89 D90S22-K26 PolarHBondContact O-N 2.98Å; Q23-K26 WeakPolarHBondContact O-CB 3.32Å; E24-K26 PolarHBondContact O-N 3.04Å; K26-S28 PolarHBondContact O-N 2.8Å; K26-S28 VanDerWaalsContact O-N 3.13Å; K26-A29 VanDerWaalsContact O-CB 3.23Å; K26-A29 WeakPolarHBondContact O-CB 3.37Å; K26-A29 PolarHBondContact O-N 3.21Å; K26-P37 HydrophobicContact CD-CB 4.34Å; K26-P37 HydrophobicContact CD-CG 4.23Å; K26-P37 WeakPolarHBondContact CD-O 3.5Å; K26-P37 HydrophobicContact CG-CB 3.7Å; K26-P37 HydrophobicContact CG-CG 4.11Å; K26-S89 PolarHBondContact NZ-O 3.38Å; K26-D90 VanDerWaalsContact CE-OD1 3.28Å; K26-D90 WeakPolarHBondContact CE-OD1 3.45Å; K26-D90 IonicContact NZ-OD1 2.64Å; K26-D90 PolarHBondContact NZ-OD1 3Å
27K98.4Very high98.4Very high180 Ų18059.9 Ų59.978%0.78331%0.305SS*.THydrogen-bonded Turntrans-63.6-18.6179.7-60.1178.5-178.8175.70113.7E24 A25E24-K27 WeakPolarHBondContact O-CB 3.38Å; E24-K27 PolarHBondContact O-N 3.45Å; E24-K27 VanDerWaalsContact O-N 3.12Å; A25-K27 PolarHBondContact O-N 3.06Å; A25-K27 VanDerWaalsContact O-N 3.15Å
28S98.7Very high98.5Very high91 Ų9155.2 Ų55.264%0.63628%0.284SS*.THydrogen-bonded Turntrans-96.92.8178.6-55.40000113.3A25 K26 Y30 C53A25-S28 PolarHBondContact O-N 3.32Å; K26-S28 PolarHBondContact O-N 2.8Å; K26-S28 VanDerWaalsContact O-N 3.13Å; S28-Y30 PolarHBondContact O-N 2.94Å; S28-C53 VanDerWaalsContact C-SG 3.56Å; S28-C53 PolarHBondContact O-SG 3.07Å
29A98.8Very high98.6Very high23 Ų2355.1 Ų55.119%0.1928%0.284CS..  trans-57.9131.5-179.100000111.6K26 P37 C53 N54K26-A29 VanDerWaalsContact O-CB 3.23Å; K26-A29 WeakPolarHBondContact O-CB 3.37Å; K26-A29 PolarHBondContact O-N 3.21Å; A29-P37 HydrophobicContact CB-CB 3.7Å; A29-C53 HydrophobicContact CB-CB 4.16Å; A29-N54 VanDerWaalsContact CB-OD1 3.26Å; A29-N54 WeakPolarHBondContact CB-OD1 3.29Å
30Y98.9Very high98.6Very high120 Ų12054.3 Ų54.347%0.47128%0.28SS..BIsolated β-bridgetrans-99.290.4167.9177.5-100.3000107.7S28 P32 Y33 N54 I55 E56S28-Y30 PolarHBondContact O-N 2.94Å; Y30-P32 VanDerWaalsContact C-CD 3.48Å; Y30-P32 HydrophobicContact CE1-CG 3.93Å; Y30-P32 HydrophobicContact CE2-CG 3.94Å; Y30-Y33 HydrophobicContact CE1-CE2 4.39Å; Y30-N54 PolarHBondContact N-O 3.48Å; Y30-I55 HydrophobicContact CD1-CG2 4.06Å; Y30-I55 WeakPolarHBondContact O-CA 3.32Å; Y30-E56 VanDerWaalsContact CD1-O 3.32Å; Y30-E56 WeakPolarHBondContact CD1-O 3.41Å; Y30-E56 VanDerWaalsContact CE1-O 3.27Å; Y30-E56 WeakPolarHBondContact CE1-O 3.49Å; Y30-E56 PolarHBondContact O-N 2.85Å
31C98.7Very high98.7Very high18 Ų1850.9 Ų50.912%0.12226%0.259CS..  trans-132.757.4-177.959.40000112.7Y33 H35 E56C31-Y33 PolarHBondContact O-N 3.37Å; C31-H35 VanDerWaalsContact O-CA 3.32Å; C31-H35 WeakPolarHBondContact O-CA 3.45Å; C31-H35 PolarHBondContact O-N 2.78Å; C31-E56 WeakPolarHBondContact CA-OE2 3.48Å; C31-E56 HydrophobicContact CB-CG 4.03Å
32P98.7Very high98.7Very high55 Ų5550.1 Ų50.136%0.35725%0.253SS..THydrogen-bonded Turntrans-71.8-10.4-177.133.3-37.5000113.3Y30 H35Y30-P32 VanDerWaalsContact C-CD 3.48Å; Y30-P32 HydrophobicContact CE1-CG 3.93Å; Y30-P32 HydrophobicContact CE2-CG 3.94Å; P32-H35 PolarHBondContact O-CE1 2.95Å; P32-H35 PolarHBondContact O-NE2 3.31Å
33Y98.7Very high98.7Very high85 Ų8550.5 Ų50.533%0.33326%0.255SS..THydrogen-bonded Turntrans-98-49.6-177-49.5-81.8000111.3Y30 C31 E56 N57 A58 Y60Y30-Y33 HydrophobicContact CE1-CE2 4.39Å; C31-Y33 PolarHBondContact O-N 3.37Å; Y33-E56 WeakPolarHBondContact CA-OE2 3.5Å; Y33-E56 WeakPolarHBondContact CB-OE2 3.39Å; Y33-E56 HydrophobicContact CD2-CB 3.57Å; Y33-E56 HydrophobicContact CD2-CG 4.49Å; Y33-E56 WeakPolarHBondContact CD2-OE2 3.43Å; Y33-E56 HydrophobicContact CE2-CB 4.01Å; Y33-E56 PolarHBondContact N-OE2 3.43Å; Y33-N57 VanDerWaalsContact CE2-C 3.42Å; Y33-A58 HydrophobicContact CE1-CB 4.38Å; Y33-A58 WeakPolarHBondContact OH-CA 3.49Å; Y33-A58 WeakPolarHBondContact OH-CB 3.39Å; Y33-A58 PolarHBondContact OH-N 2.96Å; Y33-A58 VanDerWaalsContact OH-N 3.15Å; Y33-Y60 HydrophobicContact CD1-CE1 4.17Å; Y33-Y60 HydrophobicContact CG-CE1 4.06Å
34S98.4Very high98.7Very high60 Ų6048.1 Ų48.142%0.4224%0.244SC..THydrogen-bonded Turntrans-83.4-24.4177.8650000113.5F36 E56S34-F36 PolarHBondContact O-N 3.37Å; S34-F36 WeakPolarHBondContact OG-CB 3.38Å; S34-F36 PolarHBondContact OG-N 3.29Å; S34-F36 VanDerWaalsContact OG-N 3.08Å; S34-E56 WeakPolarHBondContact CB-OE1 3.38Å; S34-E56 PolarHBondContact N-OE2 3.13Å; S34-E56 PolarHBondContact OG-OE1 3.47Å
35H98.4Very high98.5Very high147 Ų14749.3 Ų49.368%0.68125%0.25SC*.  trans52.728.4-165.8-53.3-65.9000113C31 P32 P37C31-H35 VanDerWaalsContact O-CA 3.32Å; C31-H35 WeakPolarHBondContact O-CA 3.45Å; C31-H35 PolarHBondContact O-N 2.78Å; P32-H35 PolarHBondContact O-CE1 2.95Å; P32-H35 PolarHBondContact O-NE2 3.31Å; H35-P37 VanDerWaalsContact O-CD 3.28Å; H35-P37 WeakPolarHBondContact O-CD 3.24Å
36F98.6Very high98.4Very high72 Ų7256.1 Ų56.132%0.31628%0.281SS..  trans-113.688.4-179.2-168.7-97.2000109.9S34 V38 N54 M91 I96S34-F36 PolarHBondContact O-N 3.37Å; S34-F36 WeakPolarHBondContact OG-CB 3.38Å; S34-F36 PolarHBondContact OG-N 3.29Å; S34-F36 VanDerWaalsContact OG-N 3.08Å; F36-V38 HydrophobicContact CD1-CG2 3.57Å; F36-V38 HydrophobicContact CE1-CG2 3.5Å; F36-V38 VanDerWaalsContact CE1-CG2 3.5Å; F36-N54 PolarHBondContact O-ND2 3.48Å; F36-M91 HydrophobicContact CE2-CB 4.32Å; F36-M91 HydrophobicContact CE2-CE 4.24Å; F36-M91 HydrophobicContact CZ-CB 4.32Å; F36-M91 HydrophobicContact CZ-CE 4.03Å; F36-I96 HydrophobicContact CE1-CD1 3.99Å; F36-I96 HydrophobicContact CZ-CD1 4.12Å
37P98.8Very high98.2Very high22 Ų2257.3 Ų57.314%0.14330%0.3CS..  trans-77.3132.2-17733-36.2000110.4K26 A29 H35 S89 D90K26-P37 HydrophobicContact CD-CB 4.34Å; K26-P37 HydrophobicContact CD-CG 4.23Å; K26-P37 WeakPolarHBondContact CD-O 3.5Å; K26-P37 HydrophobicContact CG-CB 3.7Å; K26-P37 HydrophobicContact CG-CG 4.11Å; A29-P37 HydrophobicContact CB-CB 3.7Å; H35-P37 VanDerWaalsContact O-CD 3.28Å; H35-P37 WeakPolarHBondContact O-CD 3.24Å; P37-S89 WeakPolarHBondContact O-CA 3.33Å; P37-D90 WeakPolarHBondContact CG-OD2 3.33Å
38V98.9Very high98.2Very high14 Ų1453.8 Ų53.89%0.08528%0.282CS..  trans-126.1132.8177-172.70000108.8F36 C53 N54 A66 I87 A88 I96F36-V38 HydrophobicContact CD1-CG2 3.57Å; F36-V38 HydrophobicContact CE1-CG2 3.5Å; F36-V38 VanDerWaalsContact CE1-CG2 3.5Å; V38-C53 VanDerWaalsContact O-CA 3.25Å; V38-C53 WeakPolarHBondContact O-CA 3.5Å; V38-N54 HydrophobicContact CB-CB 4.42Å; V38-N54 PolarHBondContact N-OD1 2.62Å; V38-N54 PolarHBondContact O-N 3.44Å; V38-N54 VanDerWaalsContact O-N 3.16Å; V38-N54 PolarHBondContact O-OD1 2.87Å; V38-A66 HydrophobicContact CB-CB 4.09Å; V38-A66 HydrophobicContact CG1-CB 3.75Å; V38-A66 WeakPolarHBondContact O-CB 3.4Å; V38-I87 HydrophobicContact CG1-CG2 3.81Å; V38-A88 CarbonylContact C-O 3.59Å; V38-A88 VanDerWaalsContact CA-O 3.3Å; V38-A88 WeakPolarHBondContact CA-O 3.49Å; V38-A88 WeakPolarHBondContact CG1-O 3.28Å; V38-I96 HydrophobicContact CG1-CG1 4.49Å
39G98.9Very high98.2Very high0 Ų051.3 Ų51.30%026%0.261CS..EExtended strand (participates in β ladder)trans-117.7147.2173.200000111.3S22 G52 I87 A88S22-G39 WeakPolarHBondContact O-CA 3.39Å; G39-G52 CarbonylContact C-O 3.57Å; G39-G52 WeakPolarHBondContact CA-O 3.44Å; G39-I87 CarbonylContact O-C 3.56Å; G39-I87 WeakPolarHBondContact O-CA 3.47Å; G39-A88 PolarHBondContact N-O 2.86Å; G39-A88 PolarHBondContact O-N 3.08Å
40A98.9Very high98.2Very high0 Ų050.3 Ų50.30%025%0.253CS..EExtended strand (participates in β ladder)trans-135.4146.8174.500000110.9K51 G52 A66 E67 A70 I85 A86A40-K51 CarbonylContact O-C 3.59Å; A40-K51 WeakPolarHBondContact O-CA 3.12Å; A40-G52 PolarHBondContact N-O 3.31Å; A40-G52 PolarHBondContact O-N 3.09Å; A40-A66 HydrophobicContact CB-CB 3.78Å; A40-E67 HydrophobicContact CB-CG 4.41Å; A40-A70 HydrophobicContact CB-CB 4.27Å; A40-I85 HydrophobicContact CB-CD1 4.21Å; A40-I85 HydrophobicContact CB-CG1 4.47Å; A40-A86 CarbonylContact C-O 3.29Å; A40-A86 WeakPolarHBondContact CA-O 3.44Å
41A98.9Very high98.2Very high0 Ų048.9 Ų48.90%025%0.249CC..EExtended strand (participates in β ladder)trans-132.8121.7172.800000109.7L18 C21 I49 F50 I85 A86L18-A41 HydrophobicContact CD1-CB 3.84Å; L18-A41 VanDerWaalsContact CD1-O 3.24Å; L18-A41 WeakPolarHBondContact CD1-O 3.24Å; L18-A41 HydrophobicContact CG-CB 4.41Å; L18-A41 WeakPolarHBondContact O-CB 3.38Å; C21-A41 HydrophobicContact CB-CB 3.56Å; A41-I49 HydrophobicContact CB-CG2 4.08Å; A41-F50 CarbonylContact C-O 3.39Å; A41-F50 WeakPolarHBondContact CA-O 3.39Å; A41-I85 CarbonylContact O-C 3.55Å; A41-I85 VanDerWaalsContact O-CA 3.28Å; A41-I85 WeakPolarHBondContact O-CA 3.5Å; A41-I85 WeakPolarHBondContact O-CG1 3.49Å; A41-A86 PolarHBondContact N-O 2.95Å; A41-A86 PolarHBondContact O-N 2.94Å
42L98.9Very high98.2Very high0 Ų048.3 Ų48.30%025%0.246CC..EExtended strand (participates in β ladder)trans-106.6122.6-177.2177.570.2000109.7I49 F50 A70 I71 A74 F82 I85 W113L42-I49 CarbonylContact O-C 3.45Å; L42-I49 VanDerWaalsContact O-CA 3.3Å; L42-I49 WeakPolarHBondContact O-CA 3.4Å; L42-F50 HydrophobicContact CB-CB 4.38Å; L42-F50 PolarHBondContact N-O 2.91Å; L42-F50 PolarHBondContact O-N 3.18Å; L42-A70 HydrophobicContact CB-CB 4.18Å; L42-I71 HydrophobicContact CD2-CB 4.34Å; L42-I71 HydrophobicContact CD2-CG1 3.83Å; L42-A74 HydrophobicContact CD2-CB 3.72Å; L42-F82 HydrophobicContact CD1-CB 4.02Å; L42-F82 HydrophobicContact CD1-CD1 4.17Å; L42-F82 HydrophobicContact CD1-CD2 4.24Å; L42-F82 HydrophobicContact CD1-CG 3.88Å; L42-F82 HydrophobicContact CD2-CD1 3.82Å; L42-F82 HydrophobicContact CD2-CD2 4.36Å; L42-F82 HydrophobicContact CD2-CE1 3.7Å; L42-F82 HydrophobicContact CD2-CE2 4.23Å; L42-F82 HydrophobicContact CD2-CG 4.18Å; L42-F82 HydrophobicContact CD2-CZ 3.93Å; L42-F82 HydrophobicContact CG-CD1 4.12Å; L42-F82 HydrophobicContact CG-CE1 4.48Å; L42-F82 HydrophobicContact CG-CG 4.34Å; L42-I85 HydrophobicContact CB-CD1 4.48Å; L42-I85 HydrophobicContact CB-CG1 4.36Å; L42-I85 HydrophobicContact CD1-CB 3.95Å; L42-I85 HydrophobicContact CD1-CD1 4.4Å; L42-I85 HydrophobicContact CD1-CG1 4.38Å; L42-W113 HydrophobicContact CD1-CH2 3.82Å; L42-W113 HydrophobicContact CD1-CZ3 3.68Å
43L98.6Very high98.2Very high8 Ų846.3 Ų46.34%0.04223%0.233CC..EExtended strand (participates in β ladder)trans-95.8127174.8-178.363.9000109.8L10 C14 L18 I49 K83 A84L10-L43 HydrophobicContact CD1-CD2 4.48Å; L10-L43 HydrophobicContact CD2-CD2 3.57Å; C14-L43 HydrophobicContact CB-CD2 4.49Å; L18-L43 HydrophobicContact CD1-CB 3.83Å; L18-L43 HydrophobicContact CD2-CB 4.39Å; L43-I49 HydrophobicContact CD1-CD1 4.44Å; L43-I49 HydrophobicContact CD1-CG1 3.73Å; L43-K83 HydrophobicContact CD2-CB 4.35Å; L43-K83 HydrophobicContact CD2-CD 4.04Å; L43-K83 HydrophobicContact CD2-CG 4.41Å; L43-K83 HydrophobicContact CG-CB 4.19Å; L43-K83 HydrophobicContact CG-CD 4.47Å; L43-K83 PolarHBondContact O-N 3.48Å; L43-A84 HydrophobicContact CB-CB 4.5Å; L43-A84 PolarHBondContact N-O 3.34Å; L43-A84 PolarHBondContact O-N 3.31Å
44T98.3Very high98.2Very high1 Ų142.9 Ų42.91%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-85.9164.8173.560.90000111.5E46 G47 R48 F50 Y79 D81 F82T44-E46 PolarHBondContact O-N 3.15Å; T44-G47 PolarHBondContact O-N 3.41Å; T44-R48 PolarHBondContact N-O 2.82Å; T44-R48 WeakPolarHBondContact OG1-CB 3.1Å; T44-R48 PolarHBondContact OG1-N 2.92Å; T44-R48 PolarHBondContact OG1-O 3.29Å; T44-F50 HydrophobicContact CG2-CD2 3.87Å; T44-F50 HydrophobicContact CG2-CE2 3.7Å; T44-Y79 HydrophobicContact CG2-CD1 3.78Å; T44-Y79 HydrophobicContact CG2-CG 3.98Å; T44-D81 WeakPolarHBondContact CA-O 3.32Å; T44-F82 HydrophobicContact CG2-CD1 4.31Å
45Q95.9Very high98.3Very high107 Ų10743.6 Ų43.650%0.522%0.219SC..THydrogen-bonded Turntrans-62-29.3174.4-67.2-64.1-7.700112.8G47 D81 F82Q45-G47 PolarHBondContact O-N 3.39Å; Q45-D81 HydrophobicContact CB-CB 4.17Å; Q45-D81 HydrophobicContact CG-CB 3.8Å; Q45-D81 PolarHBondContact N-O 3.37Å; Q45-F82 PolarHBondContact NE2-O 3.1Å; Q45-F82 VanDerWaalsContact NE2-O 3.08Å
46E94.9Very high98.3Very high150 Ų15038.4 Ų38.470%0.70120%0.195SC*.THydrogen-bonded Turntrans-76.7-0.9175.3-64177.2-15100113.7T44 Y79T44-E46 PolarHBondContact O-N 3.15Å; E46-Y79 HydrophobicContact CB-CE1 4.35Å; E46-Y79 VanDerWaalsContact OE2-CE1 3.25Å; E46-Y79 WeakPolarHBondContact OE2-CE1 3.43Å
47G95.6Very high98.3Very high50 Ų5038.2 Ų38.252%0.51520%0.197SC..SBendtrans86.10.9177.600000115T44 Q45T44-G47 PolarHBondContact O-N 3.41Å; Q45-G47 PolarHBondContact O-N 3.39Å
48R97.9Very high98.3Very high107 Ų10740.5 Ų40.540%0.40422%0.218SC..  trans-75.7138.4174.9-172.4173.5-179.8164.72111.1T44 F50 E77 Y79T44-R48 PolarHBondContact N-O 2.82Å; T44-R48 WeakPolarHBondContact OG1-CB 3.1Å; T44-R48 PolarHBondContact OG1-N 2.92Å; T44-R48 PolarHBondContact OG1-O 3.29Å; R48-F50 HydrophobicContact CB-CE2 4.17Å; R48-F50 VanDerWaalsContact CD-CZ 3.46Å; R48-F50 HydrophobicContact CG-CD2 4.31Å; R48-F50 HydrophobicContact CG-CE2 3.67Å; R48-F50 HydrophobicContact CG-CZ 3.99Å; R48-F50 VanDerWaalsContact NE-CZ 3.28Å; R48-E77 IonicContact CZ-OE2 2.62Å; R48-E77 IonicContact NH1-OE2 2.69Å; R48-E77 IonicContact NH2-OE2 2.81Å; R48-E77 PolarHBondContact NH2-OE2 3.17Å; R48-Y79 HydrophobicContact CB-CE1 4.33Å; R48-Y79 WeakPolarHBondContact CD-OH 3.27Å; R48-Y79 PolarHBondContact NH1-OH 3.39Å
49I98.7Very high98.3Very high38 Ų3843 Ų4320%0.19524%0.235CC..EExtended strand (participates in β ladder)trans-106.2130.2177-64.2176.3000111.1Q17 L18 C21 A41 L42 L43Q17-I49 HydrophobicContact CB-CD1 4.4Å; Q17-I49 HydrophobicContact CG-CD1 3.71Å; L18-I49 HydrophobicContact CD1-CD1 4.36Å; L18-I49 HydrophobicContact CD1-CG1 4.42Å; L18-I49 HydrophobicContact CD1-CG2 4.46Å; C21-I49 HydrophobicContact CB-CG2 4.05Å; A41-I49 HydrophobicContact CB-CG2 4.08Å; L42-I49 CarbonylContact O-C 3.45Å; L42-I49 VanDerWaalsContact O-CA 3.3Å; L42-I49 WeakPolarHBondContact O-CA 3.4Å; L43-I49 HydrophobicContact CD1-CD1 4.44Å; L43-I49 HydrophobicContact CD1-CG1 3.73Å
50F98.9Very high98.2Very high3 Ų350.9 Ų50.91%0.01327%0.266CS..EExtended strand (participates in β ladder)trans-111.3120.9173.5-69.2-88.8000110.6A41 L42 T44 R48 K73 A74 E77 Y79A41-F50 CarbonylContact C-O 3.39Å; A41-F50 WeakPolarHBondContact CA-O 3.39Å; L42-F50 HydrophobicContact CB-CB 4.38Å; L42-F50 PolarHBondContact N-O 2.91Å; L42-F50 PolarHBondContact O-N 3.18Å; T44-F50 HydrophobicContact CG2-CD2 3.87Å; T44-F50 HydrophobicContact CG2-CE2 3.7Å; R48-F50 HydrophobicContact CB-CE2 4.17Å; R48-F50 VanDerWaalsContact CD-CZ 3.46Å; R48-F50 HydrophobicContact CG-CD2 4.31Å; R48-F50 HydrophobicContact CG-CE2 3.67Å; R48-F50 HydrophobicContact CG-CZ 3.99Å; R48-F50 VanDerWaalsContact NE-CZ 3.28Å; F50-K73 HydrophobicContact CD1-CB 4.39Å; F50-K73 HydrophobicContact CD1-CD 4.11Å; F50-K73 HydrophobicContact CD1-CG 3.9Å; F50-K73 HydrophobicContact CE1-CG 4.46Å; F50-A74 HydrophobicContact CB-CB 4.15Å; F50-A74 HydrophobicContact CD1-CB 4.11Å; F50-A74 HydrophobicContact CD2-CB 3.53Å; F50-A74 HydrophobicContact CE1-CB 4.39Å; F50-A74 HydrophobicContact CE2-CB 3.86Å; F50-A74 HydrophobicContact CG-CB 3.65Å; F50-A74 HydrophobicContact CZ-CB 4.28Å; F50-E77 HydrophobicContact CE1-CB 4Å; F50-E77 HydrophobicContact CE1-CG 4.22Å; F50-E77 WeakPolarHBondContact CE1-OE2 3.42Å; F50-E77 HydrophobicContact CZ-CB 4.17Å; F50-Y79 HydrophobicContact CE2-CD1 4.39Å; F50-Y79 AromaticContact CE2-CD2 3.76Å; F50-Y79 HydrophobicContact CE2-CD2 3.76Å; F50-Y79 HydrophobicContact CE2-CE2 4.23Å; F50-Y79 AromaticContact CE2-CG 3.86Å; F50-Y79 HydrophobicContact CE2-CG 3.86Å; F50-Y79 AromaticContact CZ-CD2 3.42Å; F50-Y79 HydrophobicContact CZ-CD2 3.42Å; F50-Y79 VanDerWaalsContact CZ-CD2 3.42Å; F50-Y79 AromaticContact CZ-CE2 3.72Å; F50-Y79 HydrophobicContact CZ-CE2 3.72Å; F50-Y79 HydrophobicContact CZ-CG 4.02Å
51K98.9Very high98.2Very high89 Ų8956.4 Ų56.439%0.38730%0.302SS..EExtended strand (participates in β ladder)trans-91.4144176.4-68.6-168.5-77.5-175.10111C21 E24 A25 A40C21-K51 HydrophobicContact CB-CD 4.06Å; C21-K51 HydrophobicContact CB-CG 4.18Å; C21-K51 WeakPolarHBondContact O-CD 3.24Å; E24-K51 IonicContact OE2-NZ 3.36Å; E24-K51 PolarHBondContact OE2-NZ 3.12Å; A25-K51 HydrophobicContact CB-CB 3.86Å; A25-K51 HydrophobicContact CB-CD 4.19Å; A25-K51 HydrophobicContact CB-CG 4.22Å; A40-K51 CarbonylContact O-C 3.59Å; A40-K51 WeakPolarHBondContact O-CA 3.12Å
52G98.9Very high98.1Very high6 Ų662.2 Ų62.26%0.06233%0.332CS..EExtended strand (participates in β ladder)trans-145.7157.8174.100000111.7A25 G39 A40A25-G52 VanDerWaalsContact CB-O 3.28Å; A25-G52 WeakPolarHBondContact CB-O 3.3Å; G39-G52 CarbonylContact C-O 3.57Å; G39-G52 WeakPolarHBondContact CA-O 3.44Å; A40-G52 PolarHBondContact N-O 3.31Å; A40-G52 PolarHBondContact O-N 3.09Å
53C98.9Very high98.1Very high13 Ų1363.1 Ų63.19%0.08834%0.342CS..EExtended strand (participates in β ladder)trans-138.4163.1176.161.40000110.2A25 S28 A29 V38 A66 T69A25-C53 WeakPolarHBondContact O-CB 3.26Å; S28-C53 VanDerWaalsContact C-SG 3.56Å; S28-C53 PolarHBondContact O-SG 3.07Å; A29-C53 HydrophobicContact CB-CB 4.16Å; V38-C53 VanDerWaalsContact O-CA 3.25Å; V38-C53 WeakPolarHBondContact O-CA 3.5Å; C53-A66 WeakPolarHBondContact O-CA 3.26Å; C53-T69 WeakPolarHBondContact O-CB 3.24Å; C53-T69 PolarHBondContact O-OG1 3.07Å
54N98.9Very high98.2Very high14 Ų1464.6 Ų64.68%0.07535%0.349CS..  trans-71.4139172.261.8-42.8000110.7A29 Y30 F36 V38 I64A29-N54 VanDerWaalsContact CB-OD1 3.26Å; A29-N54 WeakPolarHBondContact CB-OD1 3.29Å; Y30-N54 PolarHBondContact N-O 3.48Å; F36-N54 PolarHBondContact O-ND2 3.48Å; V38-N54 HydrophobicContact CB-CB 4.42Å; V38-N54 PolarHBondContact N-OD1 2.62Å; V38-N54 PolarHBondContact O-N 3.44Å; V38-N54 VanDerWaalsContact O-N 3.16Å; V38-N54 PolarHBondContact O-OD1 2.87Å; N54-I64 CarbonylContact C-O 3.57Å; N54-I64 WeakPolarHBondContact CA-O 3.17Å
55I98.9Very high98.2Very high75 Ų7566.1 Ų66.139%0.38536%0.36SS..BIsolated β-bridgetrans-129.2107.7178.8-56169000106.6Y30 G63 I64 T69Y30-I55 HydrophobicContact CD1-CG2 4.06Å; Y30-I55 WeakPolarHBondContact O-CA 3.32Å; I55-G63 CarbonylContact O-C 3.58Å; I55-G63 WeakPolarHBondContact O-CA 3.37Å; I55-I64 HydrophobicContact CB-CG2 3.81Å; I55-I64 HydrophobicContact CD1-CG2 4.44Å; I55-I64 HydrophobicContact CG1-CG2 4.4Å; I55-I64 PolarHBondContact N-O 3.37Å; I55-I64 PolarHBondContact O-N 2.99Å; I55-T69 HydrophobicContact CD1-CG2 4.49Å
56E98.9Very high98.3Very high37 Ų3761 Ų6117%0.17334%0.336CS..  trans-84.1170.9-178.9-60.6-171.2146.600112.1Y30 C31 Y33 S34Y30-E56 VanDerWaalsContact CD1-O 3.32Å; Y30-E56 WeakPolarHBondContact CD1-O 3.41Å; Y30-E56 VanDerWaalsContact CE1-O 3.27Å; Y30-E56 WeakPolarHBondContact CE1-O 3.49Å; Y30-E56 PolarHBondContact O-N 2.85Å; C31-E56 WeakPolarHBondContact CA-OE2 3.48Å; C31-E56 HydrophobicContact CB-CG 4.03Å; Y33-E56 WeakPolarHBondContact CA-OE2 3.5Å; Y33-E56 WeakPolarHBondContact CB-OE2 3.39Å; Y33-E56 HydrophobicContact CD2-CB 3.57Å; Y33-E56 HydrophobicContact CD2-CG 4.49Å; Y33-E56 WeakPolarHBondContact CD2-OE2 3.43Å; Y33-E56 HydrophobicContact CE2-CB 4.01Å; Y33-E56 PolarHBondContact N-OE2 3.43Å; S34-E56 WeakPolarHBondContact CB-OE1 3.38Å; S34-E56 PolarHBondContact N-OE2 3.13Å; S34-E56 PolarHBondContact OG-OE1 3.47Å
57N98.9Very high98.5Very high68 Ų6854.3 Ų54.336%0.36431%0.305SS..  trans-145.8151.2177.7-167.9-84.5000109.2Y33 C59 L62Y33-N57 VanDerWaalsContact CE2-C 3.42Å; N57-C59 CarbonylContact O-C 3.56Å; N57-C59 PolarHBondContact O-N 2.84Å; N57-C59 PolarHBondContact OD1-N 3.06Å; N57-L62 HydrophobicContact CB-CB 4.02Å
58A98.5Very high98.7Very high70 Ų7054.5 Ų54.558%0.57929%0.29SS*.SBendtrans-54.9-37174.500000112Y33 Y60Y33-A58 HydrophobicContact CE1-CB 4.38Å; Y33-A58 WeakPolarHBondContact OH-CA 3.49Å; Y33-A58 WeakPolarHBondContact OH-CB 3.39Å; Y33-A58 PolarHBondContact OH-N 2.96Å; Y33-A58 VanDerWaalsContact OH-N 3.15Å; A58-Y60 PolarHBondContact O-N 2.93Å
59C98.4Very high98.7Very high67 Ų6750.8 Ų50.845%0.45328%0.279SS..SBendtrans-84.595.5165.7-1740000108.7N57 P61 L62N57-C59 CarbonylContact O-C 3.56Å; N57-C59 PolarHBondContact O-N 2.84Å; N57-C59 PolarHBondContact OD1-N 3.06Å; C59-P61 VanDerWaalsContact C-N 3.31Å; C59-P61 VanDerWaalsContact O-N 3.1Å; C59-L62 HydrophobicContact CB-CD1 3.81Å; C59-L62 HydrophobicContact CB-CG 4.04Å; C59-L62 WeakPolarHBondContact O-CB 3.37Å; C59-L62 PolarHBondContact O-N 2.79Å
60Y97Very high98.7Very high165 Ų16549 Ų4965%0.64727%0.27SS*.G310 helixtrans-48.5-41.2-170.3-75.615.9000114.9Y33 A58 L62 G63Y33-Y60 HydrophobicContact CD1-CE1 4.17Å; Y33-Y60 HydrophobicContact CG-CE1 4.06Å; A58-Y60 PolarHBondContact O-N 2.93Å; Y60-L62 PolarHBondContact O-N 3.3Å; Y60-L62 VanDerWaalsContact O-N 3.12Å; Y60-G63 PolarHBondContact O-N 3.41Å; Y60-G63 VanDerWaalsContact O-N 3.11Å
61P98.5Very high98.7Very high116 Ų11649 Ų4975%0.75327%0.27SS*.G310 helixtrans-62.2-18.2178.5-25.136.2000115.4C59 G63C59-P61 VanDerWaalsContact C-N 3.31Å; C59-P61 VanDerWaalsContact O-N 3.1Å; P61-G63 VanDerWaalsContact C-N 3.33Å
62L98.6Very high98.7Very high122 Ų12249.5 Ų49.564%0.63927%0.274SS*.G310 helixtrans-85-6.6178.7-57.7-177.5000113.3N57 C59 Y60N57-L62 HydrophobicContact CB-CB 4.02Å; C59-L62 HydrophobicContact CB-CD1 3.81Å; C59-L62 HydrophobicContact CB-CG 4.04Å; C59-L62 WeakPolarHBondContact O-CB 3.37Å; C59-L62 PolarHBondContact O-N 2.79Å; Y60-L62 PolarHBondContact O-N 3.3Å; Y60-L62 VanDerWaalsContact O-N 3.12Å
63G98.8Very high98.7Very high20 Ų2053.9 Ų53.921%0.20629%0.291CS..  trans-64.4151.9175.100000112.5I55 Y60 P61I55-G63 CarbonylContact O-C 3.58Å; I55-G63 WeakPolarHBondContact O-CA 3.37Å; Y60-G63 PolarHBondContact O-N 3.41Å; Y60-G63 VanDerWaalsContact O-N 3.11Å; P61-G63 VanDerWaalsContact C-N 3.33Å
64I98.9Very high98.7Very high38 Ų3853.2 Ų53.220%0.19529%0.287CS..BIsolated β-bridgetrans-123.7140.1178.2-172168.1000111.2N54 I55 R68 Q72N54-I64 CarbonylContact C-O 3.57Å; N54-I64 WeakPolarHBondContact CA-O 3.17Å; I55-I64 HydrophobicContact CB-CG2 3.81Å; I55-I64 HydrophobicContact CD1-CG2 4.44Å; I55-I64 HydrophobicContact CG1-CG2 4.4Å; I55-I64 PolarHBondContact N-O 3.37Å; I55-I64 PolarHBondContact O-N 2.99Å; I64-R68 HydrophobicContact CD1-CB 3.94Å; I64-R68 HydrophobicContact CG1-CB 3.79Å; I64-Q72 VanDerWaalsContact CD1-CD 3.5Å; I64-Q72 VanDerWaalsContact CD1-NE2 3.35Å
65C98.9Very high98.7Very high33 Ų3354.6 Ų54.622%0.22330%0.296CS..  trans-83.5156.9179.5-56.30000111.6E67 R68 T69 C102C65-E67 VanDerWaalsContact C-N 3.3Å; C65-E67 WeakPolarHBondContact CB-OE2 3.21Å; C65-E67 PolarHBondContact O-N 3.49Å; C65-R68 PolarHBondContact O-N 3.03Å; C65-R68 PolarHBondContact SG-NH2 3.02Å; C65-T69 PolarHBondContact O-N 3.1Å; C65-T69 PolarHBondContact O-OG1 2.74Å; C65-T69 VanDerWaalsContact O-OG1 3.13Å; C65-C102 WeakPolarHBondContact CB-SG 3.17Å
66A98.9Very high98.7Very high0 Ų055.8 Ų55.80%031%0.311CS..Hα-helixtrans-56.4-40.7-176.700000114V38 A40 C53 T69 A70V38-A66 HydrophobicContact CB-CB 4.09Å; V38-A66 HydrophobicContact CG1-CB 3.75Å; V38-A66 WeakPolarHBondContact O-CB 3.4Å; A40-A66 HydrophobicContact CB-CB 3.78Å; C53-A66 WeakPolarHBondContact O-CA 3.26Å; A66-T69 WeakPolarHBondContact O-CB 3.28Å; A66-T69 PolarHBondContact O-N 3.18Å; A66-A70 PolarHBondContact O-N 3.03Å
67E98.9Very high98.7Very high9 Ų957.8 Ų57.84%0.04232%0.32CS..Hα-helixtrans-64.2-44.8-178.9-45.495.1112.800110.7A40 C65 A70 I71 I85 I87 P98 C102 M106A40-E67 HydrophobicContact CB-CG 4.41Å; C65-E67 VanDerWaalsContact C-N 3.3Å; C65-E67 WeakPolarHBondContact CB-OE2 3.21Å; C65-E67 PolarHBondContact O-N 3.49Å; E67-A70 PolarHBondContact O-N 2.77Å; E67-I71 WeakPolarHBondContact O-CB 3.48Å; E67-I71 VanDerWaalsContact O-CG1 3.26Å; E67-I71 WeakPolarHBondContact O-CG1 3.37Å; E67-I71 PolarHBondContact O-N 2.75Å; E67-I85 HydrophobicContact CB-CD1 3.91Å; E67-I85 HydrophobicContact CG-CD1 4.33Å; E67-I87 HydrophobicContact CG-CD1 3.65Å; E67-I87 HydrophobicContact CG-CG1 3.89Å; E67-P98 VanDerWaalsContact OE1-CA 3.25Å; E67-P98 WeakPolarHBondContact OE1-CA 3.42Å; E67-P98 VanDerWaalsContact OE1-CB 3.27Å; E67-P98 WeakPolarHBondContact OE1-CB 3.42Å; E67-C102 HydrophobicContact CB-CB 4.09Å; E67-C102 HydrophobicContact CG-CB 4.27Å; E67-C102 VanDerWaalsContact OE1-CB 3.32Å; E67-C102 WeakPolarHBondContact OE1-CB 3.35Å; E67-C102 PolarHBondContact OE1-SG 3.15Å; E67-C102 PolarHBondContact OE2-SG 2.92Å; E67-C102 VanDerWaalsContact OE2-SG 3.4Å; E67-M106 HydrophobicContact CB-CE 3.59Å; E67-M106 HydrophobicContact CG-CE 3.7Å
68R98.9Very high98.7Very high55 Ų5557.4 Ų57.421%0.20833%0.332CS..Hα-helixtrans-66.7-40.3177.5-71.8-178.5-72.5152.82.2111I64 C65 A70 I71 Q72 V105I64-R68 HydrophobicContact CD1-CB 3.94Å; I64-R68 HydrophobicContact CG1-CB 3.79Å; C65-R68 PolarHBondContact O-N 3.03Å; C65-R68 PolarHBondContact SG-NH2 3.02Å; R68-A70 PolarHBondContact O-N 3.2Å; R68-I71 PolarHBondContact O-N 3.34Å; R68-Q72 VanDerWaalsContact O-CB 3.24Å; R68-Q72 WeakPolarHBondContact O-CB 3.37Å; R68-Q72 WeakPolarHBondContact O-CG 3.46Å; R68-Q72 PolarHBondContact O-N 3.26Å; R68-V105 HydrophobicContact CG-CB 4.2Å; R68-V105 HydrophobicContact CG-CG1 4.32Å; R68-V105 HydrophobicContact CG-CG2 4.05Å
69T98.9Very high98.7Very high29 Ų2956.1 Ų56.118%0.17831%0.313CS..Hα-helixtrans-58.1-46173.3-55.20000111.7C53 I55 C65 A66 K73C53-T69 WeakPolarHBondContact O-CB 3.24Å; C53-T69 PolarHBondContact O-OG1 3.07Å; I55-T69 HydrophobicContact CD1-CG2 4.49Å; C65-T69 PolarHBondContact O-N 3.1Å; C65-T69 PolarHBondContact O-OG1 2.74Å; C65-T69 VanDerWaalsContact O-OG1 3.13Å; A66-T69 WeakPolarHBondContact O-CB 3.28Å; A66-T69 PolarHBondContact O-N 3.18Å; T69-K73 WeakPolarHBondContact O-CB 3.49Å; T69-K73 PolarHBondContact O-N 3.12Å; T69-K73 VanDerWaalsContact O-N 3.09Å
70A98.9Very high98.7Very high0 Ų059 Ų590%032%0.318CS..Hα-helixtrans-65.7-45.2179.300000112.4A40 L42 A66 E67 R68 K73 A74A40-A70 HydrophobicContact CB-CB 4.27Å; L42-A70 HydrophobicContact CB-CB 4.18Å; A66-A70 PolarHBondContact O-N 3.03Å; E67-A70 PolarHBondContact O-N 2.77Å; R68-A70 PolarHBondContact O-N 3.2Å; A70-K73 PolarHBondContact O-N 3.11Å; A70-A74 PolarHBondContact O-N 3.32Å
71I98.9Very high98.7Very high2 Ų256.8 Ų56.81%0.0132%0.317CS..Hα-helixtrans-63.6-48.8177.9-67.9165.6000110.7L42 E67 R68 K73 A74 V75 F82 V105 M106 F109L42-I71 HydrophobicContact CD2-CB 4.34Å; L42-I71 HydrophobicContact CD2-CG1 3.83Å; E67-I71 WeakPolarHBondContact O-CB 3.48Å; E67-I71 VanDerWaalsContact O-CG1 3.26Å; E67-I71 WeakPolarHBondContact O-CG1 3.37Å; E67-I71 PolarHBondContact O-N 2.75Å; R68-I71 PolarHBondContact O-N 3.34Å; I71-K73 VanDerWaalsContact C-N 3.26Å; I71-K73 PolarHBondContact O-N 2.9Å; I71-A74 PolarHBondContact O-N 2.89Å; I71-A74 VanDerWaalsContact O-N 3.13Å; I71-V75 HydrophobicContact CG2-CG2 4.18Å; I71-V75 VanDerWaalsContact O-CG2 3.29Å; I71-V75 WeakPolarHBondContact O-CG2 3.43Å; I71-V75 PolarHBondContact O-N 3.13Å; I71-F82 HydrophobicContact CG2-CE2 3.97Å; I71-F82 HydrophobicContact CG2-CZ 4.23Å; I71-V105 HydrophobicContact CB-CG1 4.48Å; I71-V105 HydrophobicContact CD1-CG1 4.07Å; I71-V105 HydrophobicContact CG2-CG1 3.99Å; I71-M106 HydrophobicContact CD1-CG 3.67Å; I71-F109 HydrophobicContact CG2-CD2 3.99Å; I71-F109 HydrophobicContact CG2-CE2 3.65Å; I71-F109 HydrophobicContact CG2-CZ 4.4Å
72Q98.9Very high98.7Very high101 Ų10151.7 Ų51.747%0.47228%0.283SS..Hα-helixtrans-59.5-39.3179.8-73.8169.74.400112I64 R68 V75 S76I64-Q72 VanDerWaalsContact CD1-CD 3.5Å; I64-Q72 VanDerWaalsContact CD1-NE2 3.35Å; R68-Q72 VanDerWaalsContact O-CB 3.24Å; R68-Q72 WeakPolarHBondContact O-CB 3.37Å; R68-Q72 WeakPolarHBondContact O-CG 3.46Å; R68-Q72 PolarHBondContact O-N 3.26Å; Q72-V75 PolarHBondContact O-N 2.9Å; Q72-S76 WeakPolarHBondContact O-CB 3.47Å; Q72-S76 PolarHBondContact O-N 3.35Å; Q72-S76 PolarHBondContact O-OG 2.86Å
73K98.9Very high98.7Very high97 Ų9748.5 Ų48.542%0.42226%0.264SS..Hα-helixtrans-63.9-45.2174.7-171.7-178.9175.8175.10112.4F50 T69 A70 I71 V75 S76 E77F50-K73 HydrophobicContact CD1-CB 4.39Å; F50-K73 HydrophobicContact CD1-CD 4.11Å; F50-K73 HydrophobicContact CD1-CG 3.9Å; F50-K73 HydrophobicContact CE1-CG 4.46Å; T69-K73 WeakPolarHBondContact O-CB 3.49Å; T69-K73 PolarHBondContact O-N 3.12Å; T69-K73 VanDerWaalsContact O-N 3.09Å; A70-K73 PolarHBondContact O-N 3.11Å; I71-K73 VanDerWaalsContact C-N 3.26Å; I71-K73 PolarHBondContact O-N 2.9Å; K73-V75 VanDerWaalsContact C-N 3.34Å; K73-V75 PolarHBondContact O-N 2.96Å; K73-S76 PolarHBondContact O-N 3.01Å; K73-S76 PolarHBondContact O-OG 2.83Å; K73-E77 WeakPolarHBondContact CE-OE1 3.25Å; K73-E77 WeakPolarHBondContact CG-OE1 3.27Å; K73-E77 WeakPolarHBondContact O-CG 3.32Å; K73-E77 PolarHBondContact O-N 3.23Å
74A98.8Very high98.7Very high0 Ų047.6 Ų47.60%025%0.254CS..Hα-helixtrans-60.9-45.6177.100000111.5L42 F50 A70 I71 E77 G78 Y79 F82L42-A74 HydrophobicContact CD2-CB 3.72Å; F50-A74 HydrophobicContact CB-CB 4.15Å; F50-A74 HydrophobicContact CD1-CB 4.11Å; F50-A74 HydrophobicContact CD2-CB 3.53Å; F50-A74 HydrophobicContact CE1-CB 4.39Å; F50-A74 HydrophobicContact CE2-CB 3.86Å; F50-A74 HydrophobicContact CG-CB 3.65Å; F50-A74 HydrophobicContact CZ-CB 4.28Å; A70-A74 PolarHBondContact O-N 3.32Å; I71-A74 PolarHBondContact O-N 2.89Å; I71-A74 VanDerWaalsContact O-N 3.13Å; A74-E77 CarbonylContact O-C 3.55Å; A74-E77 PolarHBondContact O-N 3.4Å; A74-G78 PolarHBondContact O-N 3.26Å; A74-Y79 CarbonylContact C-O 3.49Å; A74-Y79 WeakPolarHBondContact O-CB 3.42Å; A74-Y79 PolarHBondContact O-N 2.89Å; A74-F82 HydrophobicContact CB-CE1 3.89Å; A74-F82 HydrophobicContact CB-CZ 4.27Å
75V98.8Very high98.7Very high43 Ų4345.8 Ų45.826%0.26125%0.245SC..Hα-helixtrans-64.7-42.9-179.4174.40000111.8I71 Q72 K73 E77 G78 Y79 F82 F109I71-V75 HydrophobicContact CG2-CG2 4.18Å; I71-V75 VanDerWaalsContact O-CG2 3.29Å; I71-V75 WeakPolarHBondContact O-CG2 3.43Å; I71-V75 PolarHBondContact O-N 3.13Å; Q72-V75 PolarHBondContact O-N 2.9Å; K73-V75 VanDerWaalsContact C-N 3.34Å; K73-V75 PolarHBondContact O-N 2.96Å; V75-E77 PolarHBondContact O-N 3.1Å; V75-G78 PolarHBondContact O-N 2.94Å; V75-Y79 WeakPolarHBondContact CA-O 3.4Å; V75-Y79 PolarHBondContact N-O 2.99Å; V75-F82 HydrophobicContact CG2-CZ 3.98Å; V75-F109 HydrophobicContact CG2-CE1 3.67Å; V75-F109 HydrophobicContact CG2-CE2 4.24Å; V75-F109 HydrophobicContact CG2-CZ 3.52Å
76S98.8Very high98.7Very high100 Ų10044.2 Ų44.270%0.69923%0.234SC*.Hα-helixtrans-66.3-24.2178.369.40000112.8Q72 K73Q72-S76 WeakPolarHBondContact O-CB 3.47Å; Q72-S76 PolarHBondContact O-N 3.35Å; Q72-S76 PolarHBondContact O-OG 2.86Å; K73-S76 PolarHBondContact O-N 3.01Å; K73-S76 PolarHBondContact O-OG 2.83Å
77E98.6Very high98.7Very high78 Ų7844.2 Ų44.236%0.36423%0.234SC..THydrogen-bonded Turntrans-92.69.8174.3-65.4-174.8-139.500113.3R48 F50 K73 A74 V75 Y79R48-E77 IonicContact CZ-OE2 2.62Å; R48-E77 IonicContact NH1-OE2 2.69Å; R48-E77 IonicContact NH2-OE2 2.81Å; R48-E77 PolarHBondContact NH2-OE2 3.17Å; F50-E77 HydrophobicContact CE1-CB 4Å; F50-E77 HydrophobicContact CE1-CG 4.22Å; F50-E77 WeakPolarHBondContact CE1-OE2 3.42Å; F50-E77 HydrophobicContact CZ-CB 4.17Å; K73-E77 WeakPolarHBondContact CE-OE1 3.25Å; K73-E77 WeakPolarHBondContact CG-OE1 3.27Å; K73-E77 WeakPolarHBondContact O-CG 3.32Å; K73-E77 PolarHBondContact O-N 3.23Å; A74-E77 CarbonylContact O-C 3.55Å; A74-E77 PolarHBondContact O-N 3.4Å; V75-E77 PolarHBondContact O-N 3.1Å; E77-Y79 HydrophobicContact CB-CD2 4.2Å; E77-Y79 HydrophobicContact CB-CE2 4.39Å; E77-Y79 VanDerWaalsContact O-CD2 3.32Å; E77-Y79 WeakPolarHBondContact O-CD2 3.23Å; E77-Y79 WeakPolarHBondContact O-CE2 3.44Å
78G98.4Very high98.7Very high61 Ų6143.8 Ų43.863%0.62923%0.232SC*.THydrogen-bonded Turntrans952.6171.600000115.9A74 V75A74-G78 PolarHBondContact O-N 3.26Å; V75-G78 PolarHBondContact O-N 2.94Å
79Y98.7Very high98.6Very high43 Ų4341.2 Ų41.217%0.16922%0.223CC..  trans-98.5121.2-176.7-62.5-98000111.4T44 E46 R48 F50 A74 V75 E77 F82T44-Y79 HydrophobicContact CG2-CD1 3.78Å; T44-Y79 HydrophobicContact CG2-CG 3.98Å; E46-Y79 HydrophobicContact CB-CE1 4.35Å; E46-Y79 VanDerWaalsContact OE2-CE1 3.25Å; E46-Y79 WeakPolarHBondContact OE2-CE1 3.43Å; R48-Y79 HydrophobicContact CB-CE1 4.33Å; R48-Y79 WeakPolarHBondContact CD-OH 3.27Å; R48-Y79 PolarHBondContact NH1-OH 3.39Å; F50-Y79 HydrophobicContact CE2-CD1 4.39Å; F50-Y79 AromaticContact CE2-CD2 3.76Å; F50-Y79 HydrophobicContact CE2-CD2 3.76Å; F50-Y79 HydrophobicContact CE2-CE2 4.23Å; F50-Y79 AromaticContact CE2-CG 3.86Å; F50-Y79 HydrophobicContact CE2-CG 3.86Å; F50-Y79 AromaticContact CZ-CD2 3.42Å; F50-Y79 HydrophobicContact CZ-CD2 3.42Å; F50-Y79 VanDerWaalsContact CZ-CD2 3.42Å; F50-Y79 AromaticContact CZ-CE2 3.72Å; F50-Y79 HydrophobicContact CZ-CE2 3.72Å; F50-Y79 HydrophobicContact CZ-CG 4.02Å; A74-Y79 CarbonylContact C-O 3.49Å; A74-Y79 WeakPolarHBondContact O-CB 3.42Å; A74-Y79 PolarHBondContact O-N 2.89Å; V75-Y79 WeakPolarHBondContact CA-O 3.4Å; V75-Y79 PolarHBondContact N-O 2.99Å; E77-Y79 HydrophobicContact CB-CD2 4.2Å; E77-Y79 HydrophobicContact CB-CE2 4.39Å; E77-Y79 VanDerWaalsContact O-CD2 3.32Å; E77-Y79 WeakPolarHBondContact O-CD2 3.23Å; E77-Y79 WeakPolarHBondContact O-CE2 3.44Å; Y79-F82 WeakPolarHBondContact O-CE1 3.41Å
80K98.4Very high98.6Very high128 Ų12843.9 Ų43.956%0.55724%0.236SC*.  trans-124-10178-60.8-179.7-173.2176.70113.8F109K80-F109 HydrophobicContact CB-CD1 4.2Å; K80-F109 HydrophobicContact CB-CE1 4.45Å; K80-F109 HydrophobicContact CG-CE1 4.3Å
81D98Very high98.5Very high117 Ų11747.2 Ų47.263%0.62625%0.253SS*.  trans-96.5105.5178.8-63.7-48.3000110.4T44 Q45T44-D81 WeakPolarHBondContact CA-O 3.32Å; Q45-D81 HydrophobicContact CB-CB 4.17Å; Q45-D81 HydrophobicContact CG-CB 3.8Å; Q45-D81 PolarHBondContact N-O 3.37Å
82F98.3Very high98.2Very high9 Ų954.3 Ų54.34%0.03929%0.285CS..EExtended strand (participates in β ladder)trans-102.4144-175.2-53.5-35.2000112.3L42 T44 Q45 I71 A74 V75 Y79 F109 W113L42-F82 HydrophobicContact CD1-CB 4.02Å; L42-F82 HydrophobicContact CD1-CD1 4.17Å; L42-F82 HydrophobicContact CD1-CD2 4.24Å; L42-F82 HydrophobicContact CD1-CG 3.88Å; L42-F82 HydrophobicContact CD2-CD1 3.82Å; L42-F82 HydrophobicContact CD2-CD2 4.36Å; L42-F82 HydrophobicContact CD2-CE1 3.7Å; L42-F82 HydrophobicContact CD2-CE2 4.23Å; L42-F82 HydrophobicContact CD2-CG 4.18Å; L42-F82 HydrophobicContact CD2-CZ 3.93Å; L42-F82 HydrophobicContact CG-CD1 4.12Å; L42-F82 HydrophobicContact CG-CE1 4.48Å; L42-F82 HydrophobicContact CG-CG 4.34Å; T44-F82 HydrophobicContact CG2-CD1 4.31Å; Q45-F82 PolarHBondContact NE2-O 3.1Å; Q45-F82 VanDerWaalsContact NE2-O 3.08Å; I71-F82 HydrophobicContact CG2-CE2 3.97Å; I71-F82 HydrophobicContact CG2-CZ 4.23Å; A74-F82 HydrophobicContact CB-CE1 3.89Å; A74-F82 HydrophobicContact CB-CZ 4.27Å; V75-F82 HydrophobicContact CG2-CZ 3.98Å; Y79-F82 WeakPolarHBondContact O-CE1 3.41Å; F82-F109 HydrophobicContact CD2-CB 3.52Å; F82-F109 HydrophobicContact CD2-CD2 4.41Å; F82-F109 AromaticContact CD2-CG 4Å; F82-F109 HydrophobicContact CD2-CG 4Å; F82-F109 HydrophobicContact CE2-CB 3.46Å; F82-F109 VanDerWaalsContact CE2-CB 3.46Å; F82-F109 AromaticContact CE2-CD1 3.9Å; F82-F109 HydrophobicContact CE2-CD1 3.9Å; F82-F109 AromaticContact CE2-CD2 3.64Å; F82-F109 HydrophobicContact CE2-CD2 3.64Å; F82-F109 HydrophobicContact CE2-CE2 4.37Å; F82-F109 AromaticContact CE2-CG 3.37Å; F82-F109 HydrophobicContact CE2-CG 3.37Å; F82-F109 HydrophobicContact CZ-CD1 4.31Å; F82-F109 HydrophobicContact CZ-CG 4.21Å; F82-W113 HydrophobicContact CB-CD2 4.33Å; F82-W113 HydrophobicContact CB-CE3 4.26Å; F82-W113 HydrophobicContact CB-CH2 4.37Å; F82-W113 HydrophobicContact CB-CZ2 4.44Å; F82-W113 HydrophobicContact CB-CZ3 4.26Å; F82-W113 HydrophobicContact CD2-CH2 4.28Å; F82-W113 HydrophobicContact CD2-CZ2 4.14Å
83K97.9Very high98Very high56 Ų5656.1 Ų56.124%0.24330%0.298CS..EExtended strand (participates in β ladder)trans-108.2-38.8-178.4-167174.5-174.2177.50112.2L10 L43 P114L10-K83 HydrophobicContact CD2-CD 3.77Å; L10-K83 VanDerWaalsContact CD2-CE 3.49Å; L10-K83 HydrophobicContact CD2-CG 4.05Å; L43-K83 HydrophobicContact CD2-CB 4.35Å; L43-K83 HydrophobicContact CD2-CD 4.04Å; L43-K83 HydrophobicContact CD2-CG 4.41Å; L43-K83 HydrophobicContact CG-CB 4.19Å; L43-K83 HydrophobicContact CG-CD 4.47Å; L43-K83 PolarHBondContact O-N 3.48Å; K83-P114 VanDerWaalsContact O-CD 3.28Å; K83-P114 WeakPolarHBondContact O-CD 3.32Å
84A98.6Very high97.9Very high0 Ų056.5 Ų56.50%031%0.305CS..EExtended strand (participates in β ladder)trans-167.5160.9177.200000111.8L10 L18 L43 P114 Y116L10-A84 HydrophobicContact CD1-CB 3.39Å; L18-A84 HydrophobicContact CD2-CB 3.73Å; L43-A84 HydrophobicContact CB-CB 4.5Å; L43-A84 PolarHBondContact N-O 3.34Å; L43-A84 PolarHBondContact O-N 3.31Å; A84-P114 VanDerWaalsContact CA-O 3.32Å; A84-P114 WeakPolarHBondContact CA-O 3.4Å; A84-P114 HydrophobicContact CB-CG 3.9Å; A84-Y116 HydrophobicContact CB-CD2 4.39Å; A84-Y116 HydrophobicContact CB-CE2 3.98Å
85I98.8Very high97.9Very high0 Ų059.7 Ų59.70%032%0.319CS..EExtended strand (participates in β ladder)trans-133.5140.8166-170.4172.3000110.7A40 A41 L42 E67 M106 W113 P114 V115 Y116A40-I85 HydrophobicContact CB-CD1 4.21Å; A40-I85 HydrophobicContact CB-CG1 4.47Å; A41-I85 CarbonylContact O-C 3.55Å; A41-I85 VanDerWaalsContact O-CA 3.28Å; A41-I85 WeakPolarHBondContact O-CA 3.5Å; A41-I85 WeakPolarHBondContact O-CG1 3.49Å; L42-I85 HydrophobicContact CB-CD1 4.48Å; L42-I85 HydrophobicContact CB-CG1 4.36Å; L42-I85 HydrophobicContact CD1-CB 3.95Å; L42-I85 HydrophobicContact CD1-CD1 4.4Å; L42-I85 HydrophobicContact CD1-CG1 4.38Å; E67-I85 HydrophobicContact CB-CD1 3.91Å; E67-I85 HydrophobicContact CG-CD1 4.33Å; I85-M106 HydrophobicContact CD1-CE 4.11Å; I85-M106 HydrophobicContact CG2-CE 4.05Å; I85-M106 HydrophobicContact CG2-SD 4.41Å; I85-W113 HydrophobicContact CB-CH2 4.27Å; I85-W113 HydrophobicContact CB-CZ3 3.66Å; I85-W113 HydrophobicContact CG2-CE3 4.35Å; I85-W113 HydrophobicContact CG2-CH2 3.91Å; I85-W113 HydrophobicContact CG2-CZ3 3.44Å; I85-W113 VanDerWaalsContact CG2-CZ3 3.44Å; I85-P114 PolarHBondContact N-O 3.42Å; I85-P114 VanDerWaalsContact N-O 3.1Å; I85-V115 HydrophobicContact CG2-CB 4.24Å; I85-V115 HydrophobicContact CG2-CG1 4.03Å; I85-V115 HydrophobicContact CG2-CG2 3.92Å; I85-V115 CarbonylContact O-C 3.6Å; I85-V115 WeakPolarHBondContact O-CA 3.21Å; I85-Y116 PolarHBondContact O-N 3.44Å
86A98.8Very high97.9Very high0 Ų058.6 Ų58.60%031%0.311CS..EExtended strand (participates in β ladder)trans-112.4144.2168.900000111.2L18 L19 S22 A40 A41 Y116L18-A86 HydrophobicContact CB-CB 4.41Å; L18-A86 HydrophobicContact CD2-CB 4.06Å; L18-A86 HydrophobicContact CG-CB 3.74Å; L19-A86 HydrophobicContact CD2-CB 4.18Å; S22-A86 WeakPolarHBondContact CB-O 3.48Å; A40-A86 CarbonylContact C-O 3.29Å; A40-A86 WeakPolarHBondContact CA-O 3.44Å; A41-A86 PolarHBondContact N-O 2.95Å; A41-A86 PolarHBondContact O-N 2.94Å; A86-Y116 WeakPolarHBondContact CA-O 3.39Å
87I98.9Very high97.8Very high0 Ų056.4 Ų56.40%030%0.296CS..EExtended strand (participates in β ladder)trans-126.9132.3-177.2-47.9168.4000109V38 G39 E67 I96 P98 M106 V115 Y116 T118V38-I87 HydrophobicContact CG1-CG2 3.81Å; G39-I87 CarbonylContact O-C 3.56Å; G39-I87 WeakPolarHBondContact O-CA 3.47Å; E67-I87 HydrophobicContact CG-CD1 3.65Å; E67-I87 HydrophobicContact CG-CG1 3.89Å; I87-I96 HydrophobicContact CB-CG2 4.03Å; I87-I96 HydrophobicContact CG2-CB 4.5Å; I87-I96 HydrophobicContact CG2-CG1 3.86Å; I87-I96 HydrophobicContact CG2-CG2 3.79Å; I87-I96 WeakPolarHBondContact O-CG2 3.3Å; I87-P98 HydrophobicContact CD1-CB 3.75Å; I87-P98 HydrophobicContact CD1-CG 4.02Å; I87-M106 HydrophobicContact CD1-CE 4.39Å; I87-V115 HydrophobicContact CD1-CG1 3.86Å; I87-Y116 PolarHBondContact N-O 3.5Å; I87-T118 WeakPolarHBondContact O-CB 3.25Å; I87-T118 VanDerWaalsContact O-CG2 3.28Å; I87-T118 WeakPolarHBondContact O-CG2 3.28Å; I87-T118 PolarHBondContact O-N 2.9Å; I87-T118 PolarHBondContact O-OG1 2.79Å
88A98.8Very high97.8Very high0 Ų052.7 Ų52.70%028%0.279CS..EExtended strand (participates in β ladder)trans-127.5144-178.900000111.3Q23 V38 G39 T118Q23-A88 VanDerWaalsContact CD-CB 3.47Å; Q23-A88 HydrophobicContact CG-CB 4.05Å; V38-A88 CarbonylContact C-O 3.59Å; V38-A88 VanDerWaalsContact CA-O 3.3Å; V38-A88 WeakPolarHBondContact CA-O 3.49Å; V38-A88 WeakPolarHBondContact CG1-O 3.28Å; G39-A88 PolarHBondContact N-O 2.86Å; G39-A88 PolarHBondContact O-N 3.08Å; A88-T118 WeakPolarHBondContact CA-OG1 3.49Å
89S98.5Very high97.9Very high1 Ų152.5 Ų52.51%0.00727%0.267CS..  trans-141.1-172.6170.976.20000110.2K26 P37 M91K26-S89 PolarHBondContact NZ-O 3.38Å; P37-S89 WeakPolarHBondContact O-CA 3.33Å; S89-M91 VanDerWaalsContact OG-CB 3.29Å; S89-M91 WeakPolarHBondContact OG-CB 3.36Å; S89-M91 PolarHBondContact OG-N 3.27Å; S89-M91 VanDerWaalsContact OG-N 3.14Å
90D97.8Very high97.9Very high86 Ų8652.7 Ų52.746%0.4628%0.282SS..SBendtrans-941.6171.1-71.6-18.9000113.4K26 P37 Q92K26-D90 VanDerWaalsContact CE-OD1 3.28Å; K26-D90 WeakPolarHBondContact CE-OD1 3.45Å; K26-D90 IonicContact NZ-OD1 2.64Å; K26-D90 PolarHBondContact NZ-OD1 3Å; P37-D90 WeakPolarHBondContact CG-OD2 3.33Å; D90-Q92 PolarHBondContact O-N 3.12Å
91M95.9Very high97.9Very high70 Ų7049 Ų4935%0.34528%0.276SS..  trans-66.3116.5177.5-177.1-178.9-77.900110.8F36 S89 D94 P120F36-M91 HydrophobicContact CE2-CB 4.32Å; F36-M91 HydrophobicContact CE2-CE 4.24Å; F36-M91 HydrophobicContact CZ-CB 4.32Å; F36-M91 HydrophobicContact CZ-CE 4.03Å; S89-M91 VanDerWaalsContact OG-CB 3.29Å; S89-M91 WeakPolarHBondContact OG-CB 3.36Å; S89-M91 PolarHBondContact OG-N 3.27Å; S89-M91 VanDerWaalsContact OG-N 3.14Å; M91-D94 HydrophobicContact CG-CB 4.11Å; M91-D94 HydrophobicContact SD-CB 3.53Å; M91-D94 VanDerWaalsContact SD-CB 3.53Å; M91-P120 WeakPolarHBondContact O-CD 3.3Å; M91-P120 WeakPolarHBondContact O-CG 3.46Å
92Q93.9Very high97.9Very high150 Ų15043.5 Ų43.570%0.70125%0.246SC*.SBendtrans-85.9-43.8-176-63.1-176.239.500112.8D90 D94 P120D90-Q92 PolarHBondContact O-N 3.12Å; Q92-D94 PolarHBondContact O-N 3.15Å; Q92-P120 HydrophobicContact CG-CG 4.35Å
93D94.5Very high98Very high139 Ų13946 Ų4674%0.74326%0.256SS*.SBendtrans-79.1-20.2-168.3-60.3-48.7000113.6K119D93-K119 VanDerWaalsContact C-NZ 3.3Å; D93-K119 WeakPolarHBondContact O-CE 3.07Å; D93-K119 PolarHBondContact O-NZ 3.21Å
94D96.8Very high98Very high105 Ų10546.4 Ų46.456%0.56126%0.258SS*.SBendtrans-135.5156.7-174.3-81.5-43.4000112.8M91 Q92 K119M91-D94 HydrophobicContact CG-CB 4.11Å; M91-D94 HydrophobicContact SD-CB 3.53Å; M91-D94 VanDerWaalsContact SD-CB 3.53Å; Q92-D94 PolarHBondContact O-N 3.15Å; D94-K119 VanDerWaalsContact CA-CE 3.46Å; D94-K119 WeakPolarHBondContact O-CG 3.42Å
95F98.3Very high98Very high68 Ų6848.6 Ų48.630%0.29827%0.271SS..  trans-78.4131174.4-60.7-76.8000110.2S97 M117 K119 V125F95-S97 PolarHBondContact O-N 3.22Å; F95-S97 VanDerWaalsContact O-N 3.09Å; F95-M117 HydrophobicContact CB-CB 4.1Å; F95-M117 VanDerWaalsContact CD1-O 3.29Å; F95-M117 WeakPolarHBondContact CD1-O 3.48Å; F95-K119 HydrophobicContact CD1-CB 4.42Å; F95-K119 HydrophobicContact CD1-CD 4.01Å; F95-K119 HydrophobicContact CD1-CG 3.67Å; F95-K119 HydrophobicContact CE1-CB 4.42Å; F95-K119 HydrophobicContact CE1-CD 3.74Å; F95-K119 HydrophobicContact CE1-CG 3.84Å; F95-K119 HydrophobicContact CG-CG 4.29Å; F95-K119 HydrophobicContact CZ-CD 4.06Å; F95-V125 HydrophobicContact CB-CG2 3.98Å; F95-V125 HydrophobicContact CD1-CG1 4.41Å; F95-V125 HydrophobicContact CD1-CG2 4.22Å; F95-V125 HydrophobicContact CD2-CG1 3.83Å; F95-V125 HydrophobicContact CD2-CG2 3.94Å; F95-V125 HydrophobicContact CE1-CG1 4.2Å; F95-V125 HydrophobicContact CE2-CG1 3.57Å; F95-V125 HydrophobicContact CG-CG1 4.25Å; F95-V125 HydrophobicContact CG-CG2 3.78Å; F95-V125 HydrophobicContact CZ-CG1 3.77Å
96I98.4Very high98Very high19 Ų1948.6 Ų48.610%0.09727%0.271CS..  trans-66.7112.3176.9-176.961.4000111F36 V38 I87 M117 T118F36-I96 HydrophobicContact CE1-CD1 3.99Å; F36-I96 HydrophobicContact CZ-CD1 4.12Å; V38-I96 HydrophobicContact CG1-CG1 4.49Å; I87-I96 HydrophobicContact CB-CG2 4.03Å; I87-I96 HydrophobicContact CG2-CB 4.5Å; I87-I96 HydrophobicContact CG2-CG1 3.86Å; I87-I96 HydrophobicContact CG2-CG2 3.79Å; I87-I96 WeakPolarHBondContact O-CG2 3.3Å; I96-M117 WeakPolarHBondContact O-CB 3.36Å; I96-M117 VanDerWaalsContact O-CG 3.23Å; I96-M117 WeakPolarHBondContact O-CG 3.23Å; I96-T118 WeakPolarHBondContact CG2-O 3.38Å; I96-T118 PolarHBondContact N-O 2.96Å
97S98.5Very high98Very high54 Ų5449.5 Ų49.538%0.37828%0.275SS..PPolyproline II helixtrans-95.8139.2178.5-166.90000111.3F95 R103F95-S97 PolarHBondContact O-N 3.22Å; F95-S97 VanDerWaalsContact O-N 3.09Å; S97-R103 PolarHBondContact OG-NH2 3.23Å
98P98.7Very high98Very high1 Ų154.6 Ų54.61%0.00630%0.299CS..PPolyproline II helixtrans-65.4140.9174.927.9-34.4000110.7E67 I87 C102 R103 M106 V115 L132E67-P98 VanDerWaalsContact OE1-CA 3.25Å; E67-P98 WeakPolarHBondContact OE1-CA 3.42Å; E67-P98 VanDerWaalsContact OE1-CB 3.27Å; E67-P98 WeakPolarHBondContact OE1-CB 3.42Å; I87-P98 HydrophobicContact CD1-CB 3.75Å; I87-P98 HydrophobicContact CD1-CG 4.02Å; P98-C102 HydrophobicContact CB-CB 4.06Å; P98-R103 HydrophobicContact CB-CG 4.21Å; P98-R103 HydrophobicContact CG-CG 3.95Å; P98-R103 PolarHBondContact O-NE 3.35Å; P98-R103 PolarHBondContact O-NH2 2.94Å; P98-M106 HydrophobicContact CB-CE 3.98Å; P98-M106 HydrophobicContact CG-CE 4.48Å; P98-V115 HydrophobicContact CG-CG1 4.22Å; P98-L132 HydrophobicContact CG-CD1 3.99Å
99C98.8Very high98Very high57 Ų5757.3 Ų57.339%0.38531%0.31SS..PPolyproline II helixtrans-69.6163175.6790000111.3A101 C102 R103C99-A101 VanDerWaalsContact C-N 3.26Å; C99-A101 PolarHBondContact O-N 2.84Å; C99-C102 WeakPolarHBondContact O-CB 3.42Å; C99-C102 PolarHBondContact O-N 2.92Å; C99-R103 WeakPolarHBondContact O-CG 3.38Å; C99-R103 PolarHBondContact O-N 2.81Å
100G98.7Very high97.9Very high47 Ų4758.8 Ų58.849%0.48533%0.326SS..Hα-helixtrans-54.9-38.6-178.100000113.9C102 R103 Q104G100-C102 PolarHBondContact O-N 3.17Å; G100-R103 PolarHBondContact O-N 2.99Å; G100-Q104 PolarHBondContact O-N 2.8Å
101A98.8Very high97.9Very high51 Ų5156.8 Ų56.842%0.42132%0.317SS..Hα-helixtrans-64.9-39.8177.100000112.4C99 Q104 V105C99-A101 VanDerWaalsContact C-N 3.26Å; C99-A101 PolarHBondContact O-N 2.84Å; A101-Q104 PolarHBondContact O-N 3.02Å; A101-V105 WeakPolarHBondContact O-CG2 3.36Å; A101-V105 PolarHBondContact O-N 2.97Å; A101-V105 VanDerWaalsContact O-N 3.07Å
102C98.9Very high97.9Very high0 Ų058.2 Ų58.20%033%0.326CS..Hα-helixtrans-65.9-43.6175.3-67.30000111.4C65 E67 P98 C99 G100 Q104 V105 M106C65-C102 WeakPolarHBondContact CB-SG 3.17Å; E67-C102 HydrophobicContact CB-CB 4.09Å; E67-C102 HydrophobicContact CG-CB 4.27Å; E67-C102 VanDerWaalsContact OE1-CB 3.32Å; E67-C102 WeakPolarHBondContact OE1-CB 3.35Å; E67-C102 PolarHBondContact OE1-SG 3.15Å; E67-C102 PolarHBondContact OE2-SG 2.92Å; E67-C102 VanDerWaalsContact OE2-SG 3.4Å; P98-C102 HydrophobicContact CB-CB 4.06Å; C99-C102 WeakPolarHBondContact O-CB 3.42Å; C99-C102 PolarHBondContact O-N 2.92Å; G100-C102 PolarHBondContact O-N 3.17Å; C102-Q104 VanDerWaalsContact C-N 3.28Å; C102-Q104 PolarHBondContact O-N 3.16Å; C102-V105 PolarHBondContact O-N 3.32Å; C102-M106 HydrophobicContact CB-CE 4.31Å; C102-M106 VanDerWaalsContact O-CG 3.26Å; C102-M106 WeakPolarHBondContact O-CG 3.28Å; C102-M106 PolarHBondContact O-N 3.17Å
103R98.9Very high98.1Very high63 Ų6351.5 Ų51.524%0.23829%0.294CS..Hα-helixtrans-57.7-42.1175.4-62.2174.2-167.7-163.84.3111.6S97 P98 C99 G100 M106 R107 L132 L133S97-R103 PolarHBondContact OG-NH2 3.23Å; P98-R103 HydrophobicContact CB-CG 4.21Å; P98-R103 HydrophobicContact CG-CG 3.95Å; P98-R103 PolarHBondContact O-NE 3.35Å; P98-R103 PolarHBondContact O-NH2 2.94Å; C99-R103 WeakPolarHBondContact O-CG 3.38Å; C99-R103 PolarHBondContact O-N 2.81Å; G100-R103 PolarHBondContact O-N 2.99Å; R103-M106 WeakPolarHBondContact O-CB 3.48Å; R103-M106 PolarHBondContact O-N 2.82Å; R103-R107 WeakPolarHBondContact O-CB 3.29Å; R103-R107 PolarHBondContact O-N 2.86Å; R103-L132 WeakPolarHBondContact CD-O 3.41Å; R103-L132 HydrophobicContact CG-CB 4.32Å; R103-L132 PolarHBondContact NH1-O 3.14Å; R103-L133 HydrophobicContact CB-CB 4.26Å; R103-L133 HydrophobicContact CB-CD1 4.22Å; R103-L133 HydrophobicContact CB-CD2 4.26Å; R103-L133 HydrophobicContact CB-CG 4.49Å
104Q98.9Very high98.2Very high64 Ų6445.4 Ų45.430%0.29926%0.262SS..Hα-helixtrans-66.2-40.5178.3-169.163.158.300112.3G100 A101 C102 R107 E108 L133 F137G100-Q104 PolarHBondContact O-N 2.8Å; A101-Q104 PolarHBondContact O-N 3.02Å; C102-Q104 VanDerWaalsContact C-N 3.28Å; C102-Q104 PolarHBondContact O-N 3.16Å; Q104-R107 WeakPolarHBondContact O-CB 3.28Å; Q104-R107 PolarHBondContact O-N 2.8Å; Q104-E108 PolarHBondContact O-N 3.03Å; Q104-L133 HydrophobicContact CB-CD2 4.46Å; Q104-F137 PolarHBondContact NE2-O 3.15Å
105V98.9Very high98.3Very high45 Ų4540.4 Ų40.427%0.27324%0.236SC..Hα-helixtrans-66.7-40.4174.5171.90000111.4R68 I71 A101 C102 R107 E108 F109R68-V105 HydrophobicContact CG-CB 4.2Å; R68-V105 HydrophobicContact CG-CG1 4.32Å; R68-V105 HydrophobicContact CG-CG2 4.05Å; I71-V105 HydrophobicContact CB-CG1 4.48Å; I71-V105 HydrophobicContact CD1-CG1 4.07Å; I71-V105 HydrophobicContact CG2-CG1 3.99Å; A101-V105 WeakPolarHBondContact O-CG2 3.36Å; A101-V105 PolarHBondContact O-N 2.97Å; A101-V105 VanDerWaalsContact O-N 3.07Å; C102-V105 PolarHBondContact O-N 3.32Å; V105-R107 VanDerWaalsContact C-N 3.3Å; V105-R107 PolarHBondContact O-N 3.49Å; V105-E108 WeakPolarHBondContact O-CB 3.22Å; V105-E108 PolarHBondContact O-N 3.12Å; V105-F109 HydrophobicContact CG1-CE2 4.45Å; V105-F109 VanDerWaalsContact O-CD2 3.24Å; V105-F109 WeakPolarHBondContact O-CD2 3.18Å
106M98.8Very high98.3Very high0 Ų038 Ų380%022%0.224CC..Hα-helixtrans-59-44.4174.1-70.7169.7-169.800111.4E67 I71 I85 I87 P98 C102 R103 E108 F109 W113 V115 V129E67-M106 HydrophobicContact CB-CE 3.59Å; E67-M106 HydrophobicContact CG-CE 3.7Å; I71-M106 HydrophobicContact CD1-CG 3.67Å; I85-M106 HydrophobicContact CD1-CE 4.11Å; I85-M106 HydrophobicContact CG2-CE 4.05Å; I85-M106 HydrophobicContact CG2-SD 4.41Å; I87-M106 HydrophobicContact CD1-CE 4.39Å; P98-M106 HydrophobicContact CB-CE 3.98Å; P98-M106 HydrophobicContact CG-CE 4.48Å; C102-M106 HydrophobicContact CB-CE 4.31Å; C102-M106 VanDerWaalsContact O-CG 3.26Å; C102-M106 WeakPolarHBondContact O-CG 3.28Å; C102-M106 PolarHBondContact O-N 3.17Å; R103-M106 WeakPolarHBondContact O-CB 3.48Å; R103-M106 PolarHBondContact O-N 2.82Å; M106-E108 PolarHBondContact O-N 3.17Å; M106-F109 PolarHBondContact O-N 2.94Å; M106-W113 HydrophobicContact CB-CH2 4.1Å; M106-W113 HydrophobicContact CB-CZ2 3.54Å; M106-W113 HydrophobicContact CG-CH2 3.83Å; M106-W113 HydrophobicContact CG-CZ2 3.82Å; M106-V115 HydrophobicContact SD-CG2 3.98Å; M106-V129 HydrophobicContact CB-CG1 4.05Å; M106-V129 HydrophobicContact CB-CG2 3.88Å; M106-V129 HydrophobicContact SD-CG2 4.34Å
107R98.6Very high98.3Very high20 Ų2037.4 Ų37.48%0.07522%0.222CC..Hα-helixtrans-60.6-31.4-178.1-177.2-88.5-165.6-117.5-0.3113.4R103 Q104 V105 F109 G110 T111 V129 L133 S136 F137 E140R103-R107 WeakPolarHBondContact O-CB 3.29Å; R103-R107 PolarHBondContact O-N 2.86Å; Q104-R107 WeakPolarHBondContact O-CB 3.28Å; Q104-R107 PolarHBondContact O-N 2.8Å; V105-R107 VanDerWaalsContact C-N 3.3Å; V105-R107 PolarHBondContact O-N 3.49Å; R107-F109 PolarHBondContact O-N 3.39Å; R107-G110 PolarHBondContact O-N 3.28Å; R107-G110 VanDerWaalsContact O-N 3.11Å; R107-T111 HydrophobicContact CG-CG2 3.96Å; R107-V129 HydrophobicContact CB-CG1 3.94Å; R107-L133 HydrophobicContact CB-CD2 4.15Å; R107-L133 HydrophobicContact CG-CD2 4.36Å; R107-S136 WeakPolarHBondContact CG-OG 3.32Å; R107-S136 PolarHBondContact NE-OG 2.65Å; R107-S136 PolarHBondContact NH2-O 3.05Å; R107-S136 PolarHBondContact NH2-OG 3.41Å; R107-F137 WeakPolarHBondContact CD-O 3.38Å; R107-F137 PolarHBondContact NE-O 2.85Å; R107-E140 IonicContact CZ-OE1 3.57Å; R107-E140 IonicContact CZ-OE2 2.86Å; R107-E140 IonicContact NH1-OE1 3.32Å; R107-E140 IonicContact NH1-OE2 2.67Å; R107-E140 PolarHBondContact NH1-OE2 3.38Å; R107-E140 IonicContact NH2-OE1 3.88Å; R107-E140 PolarHBondContact NH2-OE1 3.26Å; R107-E140 IonicContact NH2-OE2 3.56Å; R107-E140 PolarHBondContact NH2-OE2 3.02Å; R107-E140 VanDerWaalsContact NH2-OE2 3.1Å
108E98.7Very high98.3Very high107 Ų10735 Ų3550%0.521%0.205SC..Hα-helixtrans-55.8-31174.6-173.460.5-162.900112.3Q104 V105 M106Q104-E108 PolarHBondContact O-N 3.03Å; V105-E108 WeakPolarHBondContact O-CB 3.22Å; V105-E108 PolarHBondContact O-N 3.12Å; M106-E108 PolarHBondContact O-N 3.17Å
109F98.4Very high98.3Very high56 Ų5636.7 Ų36.725%0.24621%0.212CC..THydrogen-bonded Turntrans-104.424.3-178.2-55.6-81.8000112.7I71 V75 K80 F82 V105 M106 R107I71-F109 HydrophobicContact CG2-CD2 3.99Å; I71-F109 HydrophobicContact CG2-CE2 3.65Å; I71-F109 HydrophobicContact CG2-CZ 4.4Å; V75-F109 HydrophobicContact CG2-CE1 3.67Å; V75-F109 HydrophobicContact CG2-CE2 4.24Å; V75-F109 HydrophobicContact CG2-CZ 3.52Å; K80-F109 HydrophobicContact CB-CD1 4.2Å; K80-F109 HydrophobicContact CB-CE1 4.45Å; K80-F109 HydrophobicContact CG-CE1 4.3Å; F82-F109 HydrophobicContact CD2-CB 3.52Å; F82-F109 HydrophobicContact CD2-CD2 4.41Å; F82-F109 AromaticContact CD2-CG 4Å; F82-F109 HydrophobicContact CD2-CG 4Å; F82-F109 HydrophobicContact CE2-CB 3.46Å; F82-F109 VanDerWaalsContact CE2-CB 3.46Å; F82-F109 AromaticContact CE2-CD1 3.9Å; F82-F109 HydrophobicContact CE2-CD1 3.9Å; F82-F109 AromaticContact CE2-CD2 3.64Å; F82-F109 HydrophobicContact CE2-CD2 3.64Å; F82-F109 HydrophobicContact CE2-CE2 4.37Å; F82-F109 AromaticContact CE2-CG 3.37Å; F82-F109 HydrophobicContact CE2-CG 3.37Å; F82-F109 HydrophobicContact CZ-CD1 4.31Å; F82-F109 HydrophobicContact CZ-CG 4.21Å; V105-F109 HydrophobicContact CG1-CE2 4.45Å; V105-F109 VanDerWaalsContact O-CD2 3.24Å; V105-F109 WeakPolarHBondContact O-CD2 3.18Å; M106-F109 PolarHBondContact O-N 2.94Å; R107-F109 PolarHBondContact O-N 3.39Å
110G97.6Very high98.1Very high32 Ų3236.8 Ų36.833%0.3321%0.212SC..  trans109.4162.5178.200000113.6R107 W113R107-G110 PolarHBondContact O-N 3.28Å; R107-G110 VanDerWaalsContact O-N 3.11Å; G110-W113 PolarHBondContact O-NE1 3.02Å
111T97.3Very high97.9Very high45 Ų4540 Ų4028%0.27622%0.218SC..SBendtrans-111.4-24.5-17252.40000113.3R107 W113 V129 Q130R107-T111 HydrophobicContact CG-CG2 3.96Å; T111-W113 PolarHBondContact O-N 3.39Å; T111-V129 WeakPolarHBondContact O-CB 3.32Å; T111-V129 PolarHBondContact O-N 3.13Å; T111-Q130 PolarHBondContact O-N 2.91Å
112N96.4Very high97.6Very high100 Ų10039.7 Ų39.754%0.53522%0.22SC..SBendtrans-101.657.1-172.2-171.232.8000112.4A7A7-N112 WeakPolarHBondContact CB-ND2 3.45Å
113W96.6Very high97.5Very high9 Ų942.7 Ų42.73%0.03424%0.238CC..SBendtrans-139.9143.817359-76.9000110.9L42 F82 I85 M106 G110 T111 T128 V129L42-W113 HydrophobicContact CD1-CH2 3.82Å; L42-W113 HydrophobicContact CD1-CZ3 3.68Å; F82-W113 HydrophobicContact CB-CD2 4.33Å; F82-W113 HydrophobicContact CB-CE3 4.26Å; F82-W113 HydrophobicContact CB-CH2 4.37Å; F82-W113 HydrophobicContact CB-CZ2 4.44Å; F82-W113 HydrophobicContact CB-CZ3 4.26Å; F82-W113 HydrophobicContact CD2-CH2 4.28Å; F82-W113 HydrophobicContact CD2-CZ2 4.14Å; I85-W113 HydrophobicContact CB-CH2 4.27Å; I85-W113 HydrophobicContact CB-CZ3 3.66Å; I85-W113 HydrophobicContact CG2-CE3 4.35Å; I85-W113 HydrophobicContact CG2-CH2 3.91Å; I85-W113 HydrophobicContact CG2-CZ3 3.44Å; I85-W113 VanDerWaalsContact CG2-CZ3 3.44Å; M106-W113 HydrophobicContact CB-CH2 4.1Å; M106-W113 HydrophobicContact CB-CZ2 3.54Å; M106-W113 HydrophobicContact CG-CH2 3.83Å; M106-W113 HydrophobicContact CG-CZ2 3.82Å; G110-W113 PolarHBondContact O-NE1 3.02Å; T111-W113 PolarHBondContact O-N 3.39Å; W113-T128 WeakPolarHBondContact O-CA 3.47Å; W113-V129 HydrophobicContact CD2-CG2 3.92Å; W113-V129 HydrophobicContact CG-CG2 4.23Å; W113-V129 HydrophobicContact CZ2-CG2 3.93Å; W113-V129 PolarHBondContact O-N 3.12Å; W113-V129 VanDerWaalsContact O-N 3.15Å
114P98.1Very high97.4Very high11 Ų1144.3 Ų44.37%0.07125%0.245CC..EExtended strand (participates in β ladder)trans-76.4142.9-172.428.6-37.1000114.1K83 A84 I85 Y116 V126K83-P114 VanDerWaalsContact O-CD 3.28Å; K83-P114 WeakPolarHBondContact O-CD 3.32Å; A84-P114 VanDerWaalsContact CA-O 3.32Å; A84-P114 WeakPolarHBondContact CA-O 3.4Å; A84-P114 HydrophobicContact CB-CG 3.9Å; I85-P114 PolarHBondContact N-O 3.42Å; I85-P114 VanDerWaalsContact N-O 3.1Å; P114-Y116 HydrophobicContact CB-CD2 4.48Å; P114-Y116 HydrophobicContact CB-CE2 3.89Å; P114-Y116 HydrophobicContact CG-CE2 3.99Å; P114-V126 HydrophobicContact CB-CG1 3.57Å
115V98.7Very high97.4Very high0 Ų043.9 Ų43.90%025%0.247CC..EExtended strand (participates in β ladder)trans-114.6118.2171.7-177.70000108.2I85 I87 P98 M106 M117 V126 M127 V129 L132I85-V115 HydrophobicContact CG2-CB 4.24Å; I85-V115 HydrophobicContact CG2-CG1 4.03Å; I85-V115 HydrophobicContact CG2-CG2 3.92Å; I85-V115 CarbonylContact O-C 3.6Å; I85-V115 WeakPolarHBondContact O-CA 3.21Å; I87-V115 HydrophobicContact CD1-CG1 3.86Å; P98-V115 HydrophobicContact CG-CG1 4.22Å; M106-V115 HydrophobicContact SD-CG2 3.98Å; V115-M117 HydrophobicContact CG1-CG 4.24Å; V115-V126 WeakPolarHBondContact O-CA 3.4Å; V115-M127 WeakPolarHBondContact CB-O 3.29Å; V115-M127 PolarHBondContact N-O 3.29Å; V115-M127 PolarHBondContact O-N 2.94Å; V115-M127 VanDerWaalsContact O-N 3.17Å; V115-V129 HydrophobicContact CG2-CG2 3.87Å; V115-L132 HydrophobicContact CB-CD1 3.73Å; V115-L132 HydrophobicContact CG1-CD1 4Å; V115-L132 HydrophobicContact CG2-CD1 3.75Å
116Y98.6Very high97.3Very high16 Ų1644.5 Ų44.56%0.06325%0.25CS..EExtended strand (participates in β ladder)trans-93.6108.3177.9-66.4-106.3000109.2L10 V15 L18 A84 I85 A86 I87 P114 Y124 V126L10-Y116 HydrophobicContact CD1-CE2 3.81Å; L10-Y116 WeakPolarHBondContact CD1-OH 3.48Å; V15-Y116 HydrophobicContact CG1-CD1 4.13Å; V15-Y116 HydrophobicContact CG1-CE1 3.64Å; V15-Y116 HydrophobicContact CG2-CE1 4.13Å; L18-Y116 HydrophobicContact CD2-CD2 4.37Å; A84-Y116 HydrophobicContact CB-CD2 4.39Å; A84-Y116 HydrophobicContact CB-CE2 3.98Å; I85-Y116 PolarHBondContact O-N 3.44Å; A86-Y116 WeakPolarHBondContact CA-O 3.39Å; I87-Y116 PolarHBondContact N-O 3.5Å; P114-Y116 HydrophobicContact CB-CD2 4.48Å; P114-Y116 HydrophobicContact CB-CE2 3.89Å; P114-Y116 HydrophobicContact CG-CE2 3.99Å; Y116-Y124 AromaticContact CD1-CD2 3.64Å; Y116-Y124 HydrophobicContact CD1-CD2 3.64Å; Y116-Y124 AromaticContact CD1-CE2 3.68Å; Y116-Y124 HydrophobicContact CD1-CE2 3.68Å; Y116-Y124 HydrophobicContact CD1-CG 4.27Å; Y116-Y124 HydrophobicContact CE1-CD2 4.2Å; Y116-Y124 AromaticContact CE1-CE2 3.76Å; Y116-Y124 HydrophobicContact CE1-CE2 3.76Å; Y116-V126 HydrophobicContact CD1-CG2 3.58Å; Y116-V126 HydrophobicContact CE1-CG2 3.57Å; Y116-V126 HydrophobicContact CE2-CG1 4.43Å; Y116-V126 HydrophobicContact CG-CG2 4.23Å
117M98.6Very high97.3Very high8 Ų847.7 Ų47.74%0.03927%0.266CS..EExtended strand (participates in β ladder)trans-96.9111.6177.7-64.3173.6-74.200108.1F95 I96 V115 Y124 V125 M127 L132F95-M117 HydrophobicContact CB-CB 4.1Å; F95-M117 VanDerWaalsContact CD1-O 3.29Å; F95-M117 WeakPolarHBondContact CD1-O 3.48Å; I96-M117 WeakPolarHBondContact O-CB 3.36Å; I96-M117 VanDerWaalsContact O-CG 3.23Å; I96-M117 WeakPolarHBondContact O-CG 3.23Å; V115-M117 HydrophobicContact CG1-CG 4.24Å; M117-Y124 WeakPolarHBondContact O-CA 3.1Å; M117-Y124 WeakPolarHBondContact O-CB 3.26Å; M117-V125 HydrophobicContact CB-CG2 3.86Å; M117-V125 HydrophobicContact CE-CG2 3.65Å; M117-V125 PolarHBondContact N-O 2.98Å; M117-V125 PolarHBondContact O-N 3.32Å; M117-M127 HydrophobicContact CE-CB 4.04Å; M117-M127 HydrophobicContact CE-CG 3.69Å; M117-M127 HydrophobicContact CE-SD 3.68Å; M117-L132 HydrophobicContact CE-CD2 4.19Å; M117-L132 HydrophobicContact SD-CD2 4.19Å
118T98.3Very high97.3Very high4 Ų447.3 Ų47.33%0.02527%0.266CS..EExtended strand (participates in β ladder)trans-105.9161.2-166.374.80000113.1L19 I87 A88 I96 T123L19-T118 HydrophobicContact CD2-CG2 3.33Å; I87-T118 WeakPolarHBondContact O-CB 3.25Å; I87-T118 VanDerWaalsContact O-CG2 3.28Å; I87-T118 WeakPolarHBondContact O-CG2 3.28Å; I87-T118 PolarHBondContact O-N 2.9Å; I87-T118 PolarHBondContact O-OG1 2.79Å; A88-T118 WeakPolarHBondContact CA-OG1 3.49Å; I96-T118 WeakPolarHBondContact CG2-O 3.38Å; I96-T118 PolarHBondContact N-O 2.96Å; T118-T123 CarbonylContact C-O 3.59Å; T118-T123 WeakPolarHBondContact CA-O 3.35Å
119K97.5Very high97.3Very high36 Ų3642.3 Ų42.316%0.15724%0.243CC..  trans-110.1160.7162.2-80.4177.2174.6-163.80110.8D93 D94 F95 D121 G122 T123D93-K119 VanDerWaalsContact C-NZ 3.3Å; D93-K119 WeakPolarHBondContact O-CE 3.07Å; D93-K119 PolarHBondContact O-NZ 3.21Å; D94-K119 VanDerWaalsContact CA-CE 3.46Å; D94-K119 WeakPolarHBondContact O-CG 3.42Å; F95-K119 HydrophobicContact CD1-CB 4.42Å; F95-K119 HydrophobicContact CD1-CD 4.01Å; F95-K119 HydrophobicContact CD1-CG 3.67Å; F95-K119 HydrophobicContact CE1-CB 4.42Å; F95-K119 HydrophobicContact CE1-CD 3.74Å; F95-K119 HydrophobicContact CE1-CG 3.84Å; F95-K119 HydrophobicContact CG-CG 4.29Å; F95-K119 HydrophobicContact CZ-CD 4.06Å; K119-D121 WeakPolarHBondContact CB-OD1 3.45Å; K119-D121 PolarHBondContact O-N 2.97Å; K119-G122 PolarHBondContact O-N 3.37Å; K119-T123 PolarHBondContact N-O 2.98Å
120P96Very high97.3Very high58 Ų5845.1 Ų45.138%0.37726%0.257SS..THydrogen-bonded Turntrans-58-27175.3-27.234.9000114.7M91 Q92 G122M91-P120 WeakPolarHBondContact O-CD 3.3Å; M91-P120 WeakPolarHBondContact O-CG 3.46Å; Q92-P120 HydrophobicContact CG-CG 4.35Å; P120-G122 PolarHBondContact O-N 2.65Å
121D94.6Very high97.3Very high114 Ų11449 Ų4961%0.6127%0.266SS*.THydrogen-bonded Turntrans-74.6-1.1176.669.1-0.7000113.8K119 T123K119-D121 WeakPolarHBondContact CB-OD1 3.45Å; K119-D121 PolarHBondContact O-N 2.97Å; D121-T123 VanDerWaalsContact C-N 3.31Å; D121-T123 VanDerWaalsContact OD1-CB 3.32Å; D121-T123 WeakPolarHBondContact OD1-CB 3.28Å; D121-T123 WeakPolarHBondContact OD1-CG2 3.46Å; D121-T123 PolarHBondContact OD1-N 3.09Å; D121-T123 PolarHBondContact OD1-OG1 3.29Å; D121-T123 PolarHBondContact OD2-OG1 3.39Å
122G91.1Very high97.4Very high45 Ų4547.3 Ų47.346%0.46426%0.255SS..SBendtrans85.7-4.1-179.700000114.3K119 P120K119-G122 PolarHBondContact O-N 3.37Å; P120-G122 PolarHBondContact O-N 2.65Å
123T96.6Very high97.5Very high64 Ų6444.1 Ų44.139%0.39324%0.238SC..  trans-70.2151.7170.766.10000110.4T118 K119 D121T118-T123 CarbonylContact C-O 3.59Å; T118-T123 WeakPolarHBondContact CA-O 3.35Å; K119-T123 PolarHBondContact N-O 2.98Å; D121-T123 VanDerWaalsContact C-N 3.31Å; D121-T123 VanDerWaalsContact OD1-CB 3.32Å; D121-T123 WeakPolarHBondContact OD1-CB 3.28Å; D121-T123 WeakPolarHBondContact OD1-CG2 3.46Å; D121-T123 PolarHBondContact OD1-N 3.09Å; D121-T123 PolarHBondContact OD1-OG1 3.29Å; D121-T123 PolarHBondContact OD2-OG1 3.39Å
124Y98.1Very high97.5Very high96 Ų9648.3 Ų48.338%0.37627%0.267SS..EExtended strand (participates in β ladder)trans-151.8157.6-179.959.2-94.4000111.9V15 L19 Y116 M117 V126V15-Y124 HydrophobicContact CG1-CE1 4.41Å; L19-Y124 HydrophobicContact CD1-CD1 3.74Å; L19-Y124 HydrophobicContact CD1-CE1 3.67Å; L19-Y124 HydrophobicContact CD2-CD1 4.18Å; Y116-Y124 AromaticContact CD1-CD2 3.64Å; Y116-Y124 HydrophobicContact CD1-CD2 3.64Å; Y116-Y124 AromaticContact CD1-CE2 3.68Å; Y116-Y124 HydrophobicContact CD1-CE2 3.68Å; Y116-Y124 HydrophobicContact CD1-CG 4.27Å; Y116-Y124 HydrophobicContact CE1-CD2 4.2Å; Y116-Y124 AromaticContact CE1-CE2 3.76Å; Y116-Y124 HydrophobicContact CE1-CE2 3.76Å; M117-Y124 WeakPolarHBondContact O-CA 3.1Å; M117-Y124 WeakPolarHBondContact O-CB 3.26Å; Y124-V126 HydrophobicContact CD2-CG2 3.59Å; Y124-V126 HydrophobicContact CE2-CG2 3.64Å
125V97.7Very high97.5Very high56 Ų5654.3 Ų54.334%0.33931%0.309SS..EExtended strand (participates in β ladder)trans-114.1149.2165-64.80000109.2F95 M117F95-V125 HydrophobicContact CB-CG2 3.98Å; F95-V125 HydrophobicContact CD1-CG1 4.41Å; F95-V125 HydrophobicContact CD1-CG2 4.22Å; F95-V125 HydrophobicContact CD2-CG1 3.83Å; F95-V125 HydrophobicContact CD2-CG2 3.94Å; F95-V125 HydrophobicContact CE1-CG1 4.2Å; F95-V125 HydrophobicContact CE2-CG1 3.57Å; F95-V125 HydrophobicContact CG-CG1 4.25Å; F95-V125 HydrophobicContact CG-CG2 3.78Å; F95-V125 HydrophobicContact CZ-CG1 3.77Å; M117-V125 HydrophobicContact CB-CG2 3.86Å; M117-V125 HydrophobicContact CE-CG2 3.65Å; M117-V125 PolarHBondContact N-O 2.98Å; M117-V125 PolarHBondContact O-N 3.32Å
126V98.2Very high97.4Very high57 Ų5755.4 Ų55.435%0.34532%0.317SS..EExtended strand (participates in β ladder)trans-119.7130.6-178.5-170.50000109P114 V115 Y116 Y124P114-V126 HydrophobicContact CB-CG1 3.57Å; V115-V126 WeakPolarHBondContact O-CA 3.4Å; Y116-V126 HydrophobicContact CD1-CG2 3.58Å; Y116-V126 HydrophobicContact CE1-CG2 3.57Å; Y116-V126 HydrophobicContact CE2-CG1 4.43Å; Y116-V126 HydrophobicContact CG-CG2 4.23Å; Y124-V126 HydrophobicContact CD2-CG2 3.59Å; Y124-V126 HydrophobicContact CE2-CG2 3.64Å
127M98.2Very high97.4Very high67 Ų6760.3 Ų60.333%0.3334%0.338SS..EExtended strand (participates in β ladder)trans-136.1150.7169.8-64-177.670.200108.9V115 M117 E131 L132V115-M127 WeakPolarHBondContact CB-O 3.29Å; V115-M127 PolarHBondContact N-O 3.29Å; V115-M127 PolarHBondContact O-N 2.94Å; V115-M127 VanDerWaalsContact O-N 3.17Å; M117-M127 HydrophobicContact CE-CB 4.04Å; M117-M127 HydrophobicContact CE-CG 3.69Å; M117-M127 HydrophobicContact CE-SD 3.68Å; M127-E131 WeakPolarHBondContact CA-OE2 3.21Å; M127-E131 HydrophobicContact CB-CB 4.37Å; M127-E131 HydrophobicContact CE-CB 3.68Å; M127-L132 HydrophobicContact CB-CD1 4.23Å; M127-L132 HydrophobicContact CB-CD2 4.15Å; M127-L132 HydrophobicContact CB-CG 3.84Å; M127-L132 HydrophobicContact CE-CD2 4.11Å; M127-L132 HydrophobicContact CE-CG 4.45Å; M127-L132 HydrophobicContact SD-CD2 3.7Å; M127-L132 HydrophobicContact SD-CG 4.36Å
128T98.4Very high97.3Very high13 Ų1360 Ų608%0.0834%0.338CS..EExtended strand (participates in β ladder)trans-74.4159168.859.90000110.9W113 Q130 E131 L132W113-T128 WeakPolarHBondContact O-CA 3.47Å; T128-Q130 PolarHBondContact O-N 2.51Å; T128-E131 PolarHBondContact N-OE2 2.8Å; T128-E131 PolarHBondContact O-N 2.95Å; T128-E131 VanDerWaalsContact OG1-CD 3.31Å; T128-E131 VanDerWaalsContact OG1-CG 3.24Å; T128-E131 WeakPolarHBondContact OG1-CG 3.42Å; T128-E131 PolarHBondContact OG1-N 3.08Å; T128-E131 PolarHBondContact OG1-OE2 3.07Å; T128-L132 WeakPolarHBondContact O-CG 3.45Å; T128-L132 PolarHBondContact O-N 3.05Å; T128-L132 VanDerWaalsContact O-N 3.07Å
129V98.3Very high97.2Very high1 Ų162 Ų621%0.00635%0.351CS..Hα-helixtrans-56.6-36.9171.1177.10000111.2M106 R107 T111 W113 V115 L132 L133M106-V129 HydrophobicContact CB-CG1 4.05Å; M106-V129 HydrophobicContact CB-CG2 3.88Å; M106-V129 HydrophobicContact SD-CG2 4.34Å; R107-V129 HydrophobicContact CB-CG1 3.94Å; T111-V129 WeakPolarHBondContact O-CB 3.32Å; T111-V129 PolarHBondContact O-N 3.13Å; W113-V129 HydrophobicContact CD2-CG2 3.92Å; W113-V129 HydrophobicContact CG-CG2 4.23Å; W113-V129 HydrophobicContact CZ2-CG2 3.93Å; W113-V129 PolarHBondContact O-N 3.12Å; W113-V129 VanDerWaalsContact O-N 3.15Å; V115-V129 HydrophobicContact CG2-CG2 3.87Å; V129-L132 PolarHBondContact O-N 3.25Å; V129-L133 PolarHBondContact O-N 3.29Å
130Q98.3Very high97.1Very high116 Ų11664.3 Ų64.354%0.54236%0.362SS..Hα-helixtrans-61.3-44175.8-172172.7-1.900113.2T111 T128 L132 L133T111-Q130 PolarHBondContact O-N 2.91Å; T128-Q130 PolarHBondContact O-N 2.51Å; Q130-L132 VanDerWaalsContact C-N 3.31Å; Q130-L133 CarbonylContact O-C 3.57Å; Q130-L133 VanDerWaalsContact O-C 3.29Å; Q130-L133 PolarHBondContact O-N 2.9Å
131E98.3Very high97.1Very high114 Ų11463.7 Ų63.753%0.53336%0.355SS..Hα-helixtrans-68.9-32.8178-70.5162.914400111.8M127 T128M127-E131 WeakPolarHBondContact CA-OE2 3.21Å; M127-E131 HydrophobicContact CB-CB 4.37Å; M127-E131 HydrophobicContact CE-CB 3.68Å; T128-E131 PolarHBondContact N-OE2 2.8Å; T128-E131 PolarHBondContact O-N 2.95Å; T128-E131 VanDerWaalsContact OG1-CD 3.31Å; T128-E131 VanDerWaalsContact OG1-CG 3.24Å; T128-E131 WeakPolarHBondContact OG1-CG 3.42Å; T128-E131 PolarHBondContact OG1-N 3.08Å; T128-E131 PolarHBondContact OG1-OE2 3.07Å
132L98.4Very high97Very high9 Ų963.5 Ų63.55%0.04735%0.354CS..Hα-helixtrans-75.8-25.2176.6-72.2170.7000113.2P98 R103 V115 M117 M127 T128 V129 Q130P98-L132 HydrophobicContact CG-CD1 3.99Å; R103-L132 WeakPolarHBondContact CD-O 3.41Å; R103-L132 HydrophobicContact CG-CB 4.32Å; R103-L132 PolarHBondContact NH1-O 3.14Å; V115-L132 HydrophobicContact CB-CD1 3.73Å; V115-L132 HydrophobicContact CG1-CD1 4Å; V115-L132 HydrophobicContact CG2-CD1 3.75Å; M117-L132 HydrophobicContact CE-CD2 4.19Å; M117-L132 HydrophobicContact SD-CD2 4.19Å; M127-L132 HydrophobicContact CB-CD1 4.23Å; M127-L132 HydrophobicContact CB-CD2 4.15Å; M127-L132 HydrophobicContact CB-CG 3.84Å; M127-L132 HydrophobicContact CE-CD2 4.11Å; M127-L132 HydrophobicContact CE-CG 4.45Å; M127-L132 HydrophobicContact SD-CD2 3.7Å; M127-L132 HydrophobicContact SD-CG 4.36Å; T128-L132 WeakPolarHBondContact O-CG 3.45Å; T128-L132 PolarHBondContact O-N 3.05Å; T128-L132 VanDerWaalsContact O-N 3.07Å; V129-L132 PolarHBondContact O-N 3.25Å; Q130-L132 VanDerWaalsContact C-N 3.31Å
133L98.6Very high97Very high33 Ų3367.4 Ų67.417%0.17336%0.36CS..SBendtrans-137.771.4-177.8-160.871.3000111.2R103 Q104 R107 V129 Q130 S136R103-L133 HydrophobicContact CB-CB 4.26Å; R103-L133 HydrophobicContact CB-CD1 4.22Å; R103-L133 HydrophobicContact CB-CD2 4.26Å; R103-L133 HydrophobicContact CB-CG 4.49Å; Q104-L133 HydrophobicContact CB-CD2 4.46Å; R107-L133 HydrophobicContact CB-CD2 4.15Å; R107-L133 HydrophobicContact CG-CD2 4.36Å; V129-L133 PolarHBondContact O-N 3.29Å; Q130-L133 CarbonylContact O-C 3.57Å; Q130-L133 VanDerWaalsContact O-C 3.29Å; Q130-L133 PolarHBondContact O-N 2.9Å; L133-S136 WeakPolarHBondContact O-CB 3.35Å
134P98.1Very high96.1Very high97 Ų9771.6 Ų71.663%0.6337%0.373SS*.THydrogen-bonded Turntrans-65.5146.7179.228.2-35.2000111.1S136P134-S136 PolarHBondContact O-N 3.23Å
135S96.8Very high94.5Very high137 Ų13773 Ų7396%0.95839%0.392SS*.THydrogen-bonded Turntrans51.140.1179.5-56.40000113.3
136S97.4Very high92.5Very high23 Ų2380.9 Ų80.916%0.16143%0.425CS..  trans-68.4137.5-173.154.80000113.5R107 L133 P134R107-S136 WeakPolarHBondContact CG-OG 3.32Å; R107-S136 PolarHBondContact NE-OG 2.65Å; R107-S136 PolarHBondContact NH2-O 3.05Å; R107-S136 PolarHBondContact NH2-OG 3.41Å; L133-S136 WeakPolarHBondContact O-CB 3.35Å; P134-S136 PolarHBondContact O-N 3.23Å
137F98.1Very high92.2Very high118 Ų11882.1 Ų82.152%0.51843%0.429SS..  trans-60.4144.4163.3177.2-92.4000110.6Q104 R107 D141 L142Q104-F137 PolarHBondContact NE2-O 3.15Å; R107-F137 WeakPolarHBondContact CD-O 3.38Å; R107-F137 PolarHBondContact NE-O 2.85Å; F137-D141 VanDerWaalsContact CA-OD2 3.28Å; F137-D141 WeakPolarHBondContact CA-OD2 3.09Å; F137-D141 HydrophobicContact CD2-CB 3.68Å; F137-D141 WeakPolarHBondContact CD2-OD2 2.96Å; F137-D141 HydrophobicContact CE2-CB 3.4Å; F137-D141 HydrophobicContact CZ-CB 4.14Å; F137-L142 HydrophobicContact CZ-CD2 3.92Å; F137-L142 HydrophobicContact CZ-CG 4.27Å
138G97.3Very high91.9Very high3 Ų382.9 Ų82.93%0.03143%0.434CS..  trans-170.6-163.8175.300000115.8E140 D141G138-E140 PolarHBondContact O-N 3.07Å; G138-E140 VanDerWaalsContact O-N 3.11Å; G138-D141 PolarHBondContact N-OD2 2.64Å; G138-D141 WeakPolarHBondContact O-CB 3.28Å; G138-D141 PolarHBondContact O-N 2.87Å
139P95.1Very high91.5Very high45 Ų4586.8 Ų86.829%0.29245%0.454SS..Hα-helixtrans-53.2-34.5-175.5-29.737.1000114.1D141 L142P139-D141 PolarHBondContact O-N 2.72Å; P139-L142 PolarHBondContact O-N 2.95Å
140E95.3Very high91.1Very high85 Ų8591.8 Ų91.840%0.39748%0.48SS..Hα-helixtrans-63.9-24.217861.6-96.7-129.100113.9R107 G138 K144R107-E140 IonicContact CZ-OE1 3.57Å; R107-E140 IonicContact CZ-OE2 2.86Å; R107-E140 IonicContact NH1-OE1 3.32Å; R107-E140 IonicContact NH1-OE2 2.67Å; R107-E140 PolarHBondContact NH1-OE2 3.38Å; R107-E140 IonicContact NH2-OE1 3.88Å; R107-E140 PolarHBondContact NH2-OE1 3.26Å; R107-E140 IonicContact NH2-OE2 3.56Å; R107-E140 PolarHBondContact NH2-OE2 3.02Å; R107-E140 VanDerWaalsContact NH2-OE2 3.1Å; G138-E140 PolarHBondContact O-N 3.07Å; G138-E140 VanDerWaalsContact O-N 3.11Å; E140-K144 WeakPolarHBondContact O-CG 3.5Å
141D95.9Very high90.6Very high44 Ų4490.3 Ų90.324%0.23548%0.476CS..Hα-helixtrans-76-29.8178.9-66-63.2000112F137 G138 P139 Q143 K144F137-D141 VanDerWaalsContact CA-OD2 3.28Å; F137-D141 WeakPolarHBondContact CA-OD2 3.09Å; F137-D141 HydrophobicContact CD2-CB 3.68Å; F137-D141 WeakPolarHBondContact CD2-OD2 2.96Å; F137-D141 HydrophobicContact CE2-CB 3.4Å; F137-D141 HydrophobicContact CZ-CB 4.14Å; G138-D141 PolarHBondContact N-OD2 2.64Å; G138-D141 WeakPolarHBondContact O-CB 3.28Å; G138-D141 PolarHBondContact O-N 2.87Å; P139-D141 PolarHBondContact O-N 2.72Å; D141-Q143 VanDerWaalsContact C-N 3.29Å; D141-K144 IonicContact OD1-NZ 3.1Å; D141-K144 PolarHBondContact OD1-NZ 3.17Å
142L92.6Very high90.1Very high111 Ų11188.7 Ų88.758%0.58147%0.472SS*.Hα-helixtrans-78-16.2176.9-58.4-178.7000112.9F137 P139 T145F137-L142 HydrophobicContact CZ-CD2 3.92Å; F137-L142 HydrophobicContact CZ-CG 4.27Å; P139-L142 PolarHBondContact O-N 2.95Å; L142-T145 PolarHBondContact O-OG1 3.27Å
143Q91.2Very high89.5Confident127 Ų12794.4 Ų94.459%0.59350%0.503SS*.Hα-helixtrans-86.5-16.5177.5-66.9174.24.900112.6D141 T145 Q146D141-Q143 VanDerWaalsContact C-N 3.29Å; Q143-T145 PolarHBondContact O-N 3.27Å; Q143-Q146 PolarHBondContact O-N 3.46Å
144K77.1Confident88.8Confident151 Ų15199.2 Ų99.266%0.65753%0.528SS*.THydrogen-bonded Turntrans-70.2-16.2-178.1-69.8169.8-171.11690114.3E140 D141E140-K144 WeakPolarHBondContact O-CG 3.5Å; D141-K144 IonicContact OD1-NZ 3.1Å; D141-K144 PolarHBondContact OD1-NZ 3.17Å
145T65.8Low88.1Confident127 Ų12799.3 Ų99.378%0.77952%0.52SS*.THydrogen-bonded Turntrans-100.77.7179.549.80000113.3L142 Q143L142-T145 PolarHBondContact O-OG1 3.27Å; Q143-T145 PolarHBondContact O-N 3.27Å
146Q54.5Low87.3Confident221 Ų22195.9 Ų95.9100%1.03348%0.48SS*.  trans-96.70175.6-68.6-176.850.700111.6Q143Q143-Q146 PolarHBondContact O-N 3.46Å

Retrieved 146 of 146 residues in 790.9 ms (Link to these results)

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