A0A096NF44_PAPAN Loading...

C-C motif chemokine

AlphaFold DB , UniProt , Accession A0A096NF44, Species PAPAN (Papio anubis, Olive baboon), Gene CCL26, Length 94 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
1M53.8Low55.4Low232 Ų232113.7 Ų113.7100%1.14364%0.64SS**  043.70-155.8-174.5-66.400110.5
2M48.9Very low55.7Low157 Ų157112.9 Ų112.977%0.77363%0.632SS**  trans-129.6-17.2-175.4-64.216997.700112.2S5M2-S5 WeakPolarHBondContact O-CB 3.22Å; M2-S5 PolarHBondContact O-N 2.96Å
3D51.8Low55.9Low138 Ų138108.4 Ų108.474%0.73862%0.618SS**Hα-helixtrans-70.9-30.9-179.6-51.1-81.7000113.5S5 A7D3-S5 VanDerWaalsContact C-N 3.28Å; D3-S5 PolarHBondContact O-N 3Å; D3-A7 PolarHBondContact O-N 2.85Å
4L49.2Very low56.1Low153 Ų153105.6 Ų105.680%0.80161%0.608SS**Hα-helixtrans-71.3-26.5178.3-150.172.8000112.2S8L4-S8 PolarHBondContact O-N 2.88Å
5S56.8Low56.2Low85 Ų85105.5 Ų105.559%0.59460%0.604SS**Hα-helixtrans-73.1-43.1179.9-168.60000111.6M2 D3 S8 A9M2-S5 WeakPolarHBondContact O-CB 3.22Å; M2-S5 PolarHBondContact O-N 2.96Å; D3-S5 VanDerWaalsContact C-N 3.28Å; D3-S5 PolarHBondContact O-N 3Å; S5-S8 PolarHBondContact O-N 2.95Å; S5-A9 PolarHBondContact O-N 2.96Å; S5-A9 VanDerWaalsContact O-N 3.12Å
6M56.8Low56.1Low127 Ų127107.1 Ų107.163%0.62661%0.609SS**Hα-helixtrans-66.3-38.9176.7-74.1-58-50.900112.2V10M6-V10 WeakPolarHBondContact O-CG2 3.46Å; M6-V10 PolarHBondContact O-N 3.27Å; M6-V10 VanDerWaalsContact O-N 3.14Å
7A56.3Low56.1Low48 Ų48106.4 Ų106.440%0.39761%0.612SS.*Hα-helixtrans-62.7-41.9175.400000111.9D3 V10 I11D3-A7 PolarHBondContact O-N 2.85Å; A7-V10 PolarHBondContact O-N 3.35Å; A7-I11 WeakPolarHBondContact O-CD1 3.29Å; A7-I11 WeakPolarHBondContact O-CG1 3.43Å; A7-I11 PolarHBondContact O-N 3.16Å; A7-I11 VanDerWaalsContact O-N 3.07Å
8S58.1Low56Low66 Ų66108.4 Ų108.446%0.46262%0.62SS.*Hα-helixtrans-64-44.6178.5-175.30000112.7L4 S5 V10 I11 L12L4-S8 PolarHBondContact O-N 2.88Å; S5-S8 PolarHBondContact O-N 2.95Å; S8-V10 VanDerWaalsContact C-N 3.35Å; S8-V10 PolarHBondContact O-N 2.78Å; S8-I11 PolarHBondContact O-N 3.04Å; S8-L12 PolarHBondContact O-N 3.45Å; S8-L12 VanDerWaalsContact O-N 3.08Å
9A59.1Low55.8Low55 Ų55110.9 Ų110.946%0.45563%0.625SS.*Hα-helixtrans-64.2-38.3178.100000112.6S5 L12 A13S5-A9 PolarHBondContact O-N 2.96Å; S5-A9 VanDerWaalsContact O-N 3.12Å; A9-L12 PolarHBondContact O-N 3.47Å; A9-A13 WeakPolarHBondContact O-CB 3.21Å; A9-A13 PolarHBondContact O-N 2.84Å
10V59.7Low55.7Low85 Ų85113.1 Ų113.152%0.51563%0.634SS.*Hα-helixtrans-69-38.1177.6173.40000111.6M6 A7 S8 A13 S14M6-V10 WeakPolarHBondContact O-CG2 3.46Å; M6-V10 PolarHBondContact O-N 3.27Å; M6-V10 VanDerWaalsContact O-N 3.14Å; A7-V10 PolarHBondContact O-N 3.35Å; S8-V10 VanDerWaalsContact C-N 3.35Å; S8-V10 PolarHBondContact O-N 2.78Å; V10-A13 PolarHBondContact O-N 3.39Å; V10-S14 WeakPolarHBondContact O-CB 3.29Å; V10-S14 PolarHBondContact O-N 2.93Å; V10-S14 PolarHBondContact O-OG 3.46Å
11I59.1Low55.7Low105 Ų105111 Ų11154%0.53864%0.638SS.*Hα-helixtrans-65.2-43.4176.3-67162.4000110.7A7 S8 S14 L15A7-I11 WeakPolarHBondContact O-CD1 3.29Å; A7-I11 WeakPolarHBondContact O-CG1 3.43Å; A7-I11 PolarHBondContact O-N 3.16Å; A7-I11 VanDerWaalsContact O-N 3.07Å; S8-I11 PolarHBondContact O-N 3.04Å; I11-S14 PolarHBondContact O-N 3.38Å; I11-L15 HydrophobicContact CG2-CD1 4.13Å; I11-L15 WeakPolarHBondContact O-CG 3.1Å; I11-L15 PolarHBondContact O-N 2.96Å; I11-L15 VanDerWaalsContact O-N 3.11Å
12L58.9Low55.7Low104 Ų104105.5 Ų105.555%0.54562%0.618SS.*Hα-helixtrans-63.9-42176.3-81.5158.5000112.7S8 A9 S14 L15 L16S8-L12 PolarHBondContact O-N 3.45Å; S8-L12 VanDerWaalsContact O-N 3.08Å; A9-L12 PolarHBondContact O-N 3.47Å; L12-S14 VanDerWaalsContact C-N 3.3Å; L12-S14 PolarHBondContact O-N 3.43Å; L12-L15 PolarHBondContact O-N 3.17Å; L12-L16 WeakPolarHBondContact O-CD1 3.46Å; L12-L16 PolarHBondContact O-N 3.03Å
13A58.9Low56.2Low54 Ų54101.7 Ų101.745%0.44661%0.611SS.*Hα-helixtrans-65.1-3417600000112.6A9 V10 S17A9-A13 WeakPolarHBondContact O-CB 3.21Å; A9-A13 PolarHBondContact O-N 2.84Å; V10-A13 PolarHBondContact O-N 3.39Å; A13-S17 PolarHBondContact O-N 3.44Å; A13-S17 PolarHBondContact O-OG 3.17Å
14S57.9Low56.4Low69 Ų69101.6 Ų101.648%0.48362%0.616SS.*Hα-helixtrans-70.3-37.9177.7-57.40000112.5V10 I11 L12 S17V10-S14 WeakPolarHBondContact O-CB 3.29Å; V10-S14 PolarHBondContact O-N 2.93Å; V10-S14 PolarHBondContact O-OG 3.46Å; I11-S14 PolarHBondContact O-N 3.38Å; L12-S14 VanDerWaalsContact C-N 3.3Å; L12-S14 PolarHBondContact O-N 3.43Å; S14-S17 PolarHBondContact O-N 3.2Å
15L57.7Low56.6Low104 Ų104105.1 Ų105.155%0.54562%0.619SS.*Hα-helixtrans-69.5-34.2176.5-72.5163000113I11 L12 S17 L18 H19I11-L15 HydrophobicContact CG2-CD1 4.13Å; I11-L15 WeakPolarHBondContact O-CG 3.1Å; I11-L15 PolarHBondContact O-N 2.96Å; I11-L15 VanDerWaalsContact O-N 3.11Å; L12-L15 PolarHBondContact O-N 3.17Å; L15-S17 VanDerWaalsContact C-N 3.33Å; L15-L18 PolarHBondContact O-N 3.32Å; L15-H19 PolarHBondContact O-ND1 3.01Å
16L54.4Low56.5Low132 Ų132104.1 Ų104.169%0.69162%0.621SS**Hα-helixtrans-68-32.2176.4-80.6158.3000112.5L12 L18 H19L12-L16 WeakPolarHBondContact O-CD1 3.46Å; L12-L16 PolarHBondContact O-N 3.03Å; L16-L18 PolarHBondContact O-N 3.01Å; L16-H19 PolarHBondContact O-N 3.42Å
17S56.3Low56.4Low94 Ų94103.6 Ų103.666%0.65763%0.625SS**Hα-helixtrans-67.9-20.2178.1-56.30000113.1A13 S14 L15 H19A13-S17 PolarHBondContact O-N 3.44Å; A13-S17 PolarHBondContact O-OG 3.17Å; S14-S17 PolarHBondContact O-N 3.2Å; L15-S17 VanDerWaalsContact C-N 3.33Å; S17-H19 VanDerWaalsContact C-N 3.34Å
18L54.2Low56.5Low144 Ų144108.2 Ų108.275%0.75464%0.643SS**THydrogen-bonded Turntrans-79.1-11.9179.6-120.874.1000114.1L15 L16L15-L18 PolarHBondContact O-N 3.32Å; L16-L18 PolarHBondContact O-N 3.01Å
19H53.5Low56.6Low155 Ų155111.5 Ų111.572%0.71865%0.654SS**THydrogen-bonded Turntrans-100.1-4-172.4-76.986.8000115.3L15 L16 S17 G21L15-H19 PolarHBondContact O-ND1 3.01Å; L16-H19 PolarHBondContact O-N 3.42Å; S17-H19 VanDerWaalsContact C-N 3.34Å; H19-G21 VanDerWaalsContact C-N 3.35Å
20L51.9Low56.9Low154 Ų154112.4 Ų112.481%0.80666%0.662SS**  trans-92.87.4179.4-156.656.6000114.3T22L20-T22 PolarHBondContact O-N 3.37Å; L20-T22 VanDerWaalsContact O-N 3.08Å
21G57.2Low57.7Low69 Ų69114.9 Ų114.971%0.71167%0.666SS**  trans-81.455.516700000112H19 A23H19-G21 VanDerWaalsContact C-N 3.35Å; G21-A23 PolarHBondContact O-N 3.39Å
22T53.7Low59.1Low118 Ų118113.2 Ų113.272%0.72466%0.661SS**  trans-70.381.7160.149.20000107.1L20 T24L20-T22 PolarHBondContact O-N 3.37Å; L20-T22 VanDerWaalsContact O-N 3.08Å; T22-T24 VanDerWaalsContact C-N 3.31Å; T22-T24 PolarHBondContact O-N 3.49Å
23A59.3Low60.8Low77 Ų77110.3 Ų110.364%0.63665%0.648SS**  trans-54.3105.5160.500000105.8G21 R25G21-A23 PolarHBondContact O-N 3.39Å; A23-R25 PolarHBondContact O-N 3.39Å
24T55.3Low62.5Low135 Ų135108 Ų10883%0.82863%0.629SS**  trans-6286.6160.1460000105.1T22 G26T22-T24 VanDerWaalsContact C-N 3.31Å; T22-T24 PolarHBondContact O-N 3.49Å; T24-G26 PolarHBondContact O-N 3.05Å
25R53.6Low64.2Low228 Ų228112.5 Ų112.586%0.8664%0.64SS**  trans-6966.1158.8-72.1-169.5173-170.5-0.5106.3A23 T27A23-R25 PolarHBondContact O-N 3.39Å; R25-T27 PolarHBondContact O-N 3.49Å
26G54.7Low65.8Low63 Ų63115.4 Ų115.465%0.64965%0.651SS**  trans-57.1103.4151.300000103.8T24 D28T24-G26 PolarHBondContact O-N 3.05Å; G26-D28 PolarHBondContact O-N 3.31Å
27T55.1Low67.8Low116 Ų116111.5 Ų111.571%0.71263%0.629SS**  trans-6194.3157.443.60000103.3R25 I29R25-T27 PolarHBondContact O-N 3.49Å; T27-I29 PolarHBondContact O-N 3.05Å
28D57.5Low69.6Low145 Ų145109.1 Ų109.178%0.77561%0.612SS**  trans-67.677.8167.9-165.4-7.4000104.7G26 A30G26-D28 PolarHBondContact O-N 3.31Å; D28-A30 PolarHBondContact O-N 3.12Å
29I60.1Low71.3Confident135 Ų135111.3 Ų111.369%0.69262%0.619SS**  trans-64.193.6168.9-61.2175.6000102.4T27 K31T27-I29 PolarHBondContact O-N 3.05Å; I29-K31 PolarHBondContact O-N 3.17Å
30A66.9Low73.2Confident75 Ų75112 Ų11262%0.6262%0.62SS**  trans-46107.8-178.300000108D28 T32D28-A30 PolarHBondContact O-N 3.12Å; A30-T32 PolarHBondContact O-N 3.21Å
31K76.3Confident75.2Confident137 Ų137108.3 Ų108.360%0.59661%0.607SS**  trans-66.5111.3-175-68.6-176.6-178.3173.40107.1I29 C33 S56I29-K31 PolarHBondContact O-N 3.17Å; K31-C33 PolarHBondContact O-N 2.82Å; K31-C33 VanDerWaalsContact O-N 3.16Å; K31-S56 VanDerWaalsContact CD-OG 3.3Å; K31-S56 WeakPolarHBondContact CD-OG 3.38Å; K31-S56 PolarHBondContact NZ-OG 3.35Å
32T88.3Confident77Confident69 Ų69106.2 Ų106.242%0.42358%0.579SS.*  trans-75.6109-178.6-56.10000109.2A30 I63A30-T32 PolarHBondContact O-N 3.21Å; T32-I63 HydrophobicContact CG2-CD1 3.75Å
33C94.3Very high79.1Confident43 Ų43103.1 Ų103.129%0.29156%0.561SS.*  trans-100.1150.6170.1-64.40000111.1K31 F35 C57K31-C33 PolarHBondContact O-N 2.82Å; K31-C33 VanDerWaalsContact O-N 3.16Å; C33-F35 HydrophobicContact CB-CE2 4.47Å; C33-F35 HydrophobicContact CB-CZ 4.32Å; C33-C57 WeakPolarHBondContact CA-SG 3.28Å; C33-C57 HydrophobicContact CB-CB 3.84Å; C33-C57 WeakPolarHBondContact CB-SG 3.38Å; C33-C57 VanDerWaalsContact SG-CA 3.55Å; C33-C57 WeakPolarHBondContact SG-CB 3.28Å; C33-C57 CovalentContact SG-SG 2.05Å; C33-C57 PolarHBondContact SG-SG 2.98Å
34C95.5Very high80.8Confident5 Ų5104.1 Ų104.13%0.03455%0.548CS..  trans-108.1117.7177.4-68.50000109.8T53 A61 I63 C73C34-T53 HydrophobicContact CB-CG2 4.27Å; C34-A61 HydrophobicContact CB-CB 3.58Å; C34-I63 VanDerWaalsContact SG-CG1 3.59Å; C34-C73 HydrophobicContact CB-CB 3.58Å; C34-C73 WeakPolarHBondContact CB-SG 2.98Å; C34-C73 WeakPolarHBondContact SG-CB 3.03Å; C34-C73 CovalentContact SG-SG 2.04Å; C34-C73 PolarHBondContact SG-SG 3.16Å
35F92.2Very high82.8Confident164 Ų164102.5 Ų102.572%0.71954%0.538SS*.SBendtrans-94.8-18.5174.5-57.8-76.9000112.6C33C33-F35 HydrophobicContact CB-CE2 4.47Å; C33-F35 HydrophobicContact CB-CZ 4.32Å
36Q92.5Very high84.9Confident165 Ų16599.1 Ų99.177%0.77153%0.525SS*.SBendtrans-137151.7179.6-67.1-177.2-15.100110.2C73Q36-C73 WeakPolarHBondContact O-CB 3.14Å
37H95.6Very high86.9Confident50 Ų5096.5 Ų96.523%0.23150%0.497CS..  trans-116.2143.8180-59.7121.1000110.5H39 T74 N75H37-H39 PolarHBondContact O-N 3.49Å; H37-T74 PolarHBondContact CD2-O 3.02Å; H37-N75 HydrophobicContact CB-CB 4.23Å
38S93.4Very high88.9Confident44 Ų4496.5 Ų96.531%0.30849%0.489SS..  trans-60.8125.7170.1-177.60000110.5K40 C73S38-K40 PolarHBondContact OG-N 2.83Å; S38-K40 PolarHBondContact OG-O 3.28Å; S38-C73 PolarHBondContact N-O 2.05Å
39H90.4Very high90.8Very high191 Ų19191.4 Ų91.488%0.88446%0.464SS*.SBendtrans-73.9-30.8172.7-66.4-88.1000112.1H37H37-H39 PolarHBondContact O-N 3.49Å
40K93.2Very high92.6Very high170 Ų17086.8 Ų86.874%0.73944%0.439SS*.SBendtrans-91.7142.7-179.3-62.5-172.6-178.8-177.30110.6S38S38-K40 PolarHBondContact OG-N 2.83Å; S38-K40 PolarHBondContact OG-O 3.28Å
41S94Very high94Very high76 Ų7686.8 Ų86.853%0.53143%0.426SS..PPolyproline II helixtrans-69.614717055.40000110.5
42L95.3Very high94.9Very high25 Ų2585.4 Ų85.413%0.13142%0.42CS..PPolyproline II helixtrans-82.6139.7170.9-65.5170.9000108.9W44 V47 F64 V72 W80 Y84L42-W44 PolarHBondContact O-N 2.87Å; L42-V47 HydrophobicContact CB-CG2 3.96Å; L42-V47 HydrophobicContact CD1-CG2 4.27Å; L42-F64 HydrophobicContact CD1-CB 3.77Å; L42-F64 HydrophobicContact CD1-CD2 4.2Å; L42-F64 HydrophobicContact CD1-CG 4.3Å; L42-V72 HydrophobicContact CD1-CB 3.97Å; L42-V72 HydrophobicContact CD1-CG1 4.11Å; L42-V72 HydrophobicContact CD1-CG2 4.18Å; L42-V72 HydrophobicContact CD2-CG1 4.33Å; L42-V72 HydrophobicContact CD2-CG2 4.14Å; L42-V72 HydrophobicContact CG-CG1 4.46Å; L42-W80 HydrophobicContact CB-CZ3 4.44Å; L42-W80 HydrophobicContact CG-CH2 4.37Å; L42-Y84 WeakPolarHBondContact O-CE2 3.36Å; L42-Y84 PolarHBondContact O-OH 3.47Å
43P96.8Very high95.2Very high53 Ų5382.4 Ų82.434%0.34440%0.402SS..PPolyproline II helixtrans-60.9128.9167.3-23.334.6000110.4T45 R46P43-T45 PolarHBondContact O-N 2.92Å; P43-T45 VanDerWaalsContact O-N 3.16Å; P43-R46 HydrophobicContact CB-CG 4.3Å; P43-R46 WeakPolarHBondContact O-CB 3.46Å; P43-R46 PolarHBondContact O-N 3.19Å
44W96.7Very high95.1Very high97 Ų9782.2 Ų82.237%0.36740%0.401SS..G310 helixtrans-51.6-42.6-176.7173.8-118.7000112.3L42 R46 V47 Y84 L87 L88L42-W44 PolarHBondContact O-N 2.87Å; W44-R46 PolarHBondContact O-N 2.9Å; W44-V47 HydrophobicContact CE3-CB 4.4Å; W44-V47 PolarHBondContact O-N 2.84Å; W44-Y84 WeakPolarHBondContact CA-OH 3.38Å; W44-Y84 HydrophobicContact CB-CE1 4.12Å; W44-Y84 HydrophobicContact CB-CE2 4.39Å; W44-Y84 VanDerWaalsContact CB-OH 3.29Å; W44-Y84 WeakPolarHBondContact CB-OH 3.49Å; W44-Y84 HydrophobicContact CD2-CE1 4.27Å; W44-Y84 AromaticContact CE3-CD1 3.56Å; W44-Y84 HydrophobicContact CE3-CD1 3.56Å; W44-Y84 AromaticContact CE3-CD2 3.71Å; W44-Y84 HydrophobicContact CE3-CD2 3.71Å; W44-Y84 AromaticContact CE3-CE1 3.63Å; W44-Y84 HydrophobicContact CE3-CE1 3.63Å; W44-Y84 AromaticContact CE3-CE2 3.78Å; W44-Y84 HydrophobicContact CE3-CE2 3.78Å; W44-Y84 AromaticContact CE3-CG 3.61Å; W44-Y84 HydrophobicContact CE3-CG 3.61Å; W44-Y84 AromaticContact CE3-CZ 3.75Å; W44-Y84 HydrophobicContact CG-CE1 4.5Å; W44-Y84 AromaticContact CZ3-CD1 3.93Å; W44-Y84 HydrophobicContact CZ3-CD1 3.93Å; W44-Y84 HydrophobicContact CZ3-CD2 4.07Å; W44-Y84 HydrophobicContact CZ3-CE1 4.45Å; W44-Y84 AromaticContact CZ3-CG 3.72Å; W44-Y84 HydrophobicContact CZ3-CG 3.72Å; W44-Y84 PolarHBondContact N-OH 2.8Å; W44-L87 HydrophobicContact CD2-CD1 4.29Å; W44-L87 HydrophobicContact CE3-CD1 4.27Å; W44-L87 HydrophobicContact CH2-CB 3.35Å; W44-L87 HydrophobicContact CH2-CD1 3.88Å; W44-L87 HydrophobicContact CH2-CG 4.26Å; W44-L87 HydrophobicContact CZ2-CB 3.78Å; W44-L87 HydrophobicContact CZ2-CD1 3.89Å; W44-L87 HydrophobicContact CZ2-CG 4.42Å; W44-L87 HydrophobicContact CZ3-CB 4.04Å; W44-L87 HydrophobicContact CZ3-CD1 4.07Å; W44-L88 HydrophobicContact CH2-CD2 3.88Å; W44-L88 HydrophobicContact CH2-CG 3.82Å; W44-L88 HydrophobicContact CZ3-CD1 4.47Å; W44-L88 HydrophobicContact CZ3-CD2 4.32Å; W44-L88 HydrophobicContact CZ3-CG 4.03Å
45T96.8Very high94.9Very high102 Ų10287.4 Ų87.463%0.62644%0.437SS*.G310 helixtrans-58.3-20.2-179.254.90000114.2P43 K67P43-T45 PolarHBondContact O-N 2.92Å; P43-T45 VanDerWaalsContact O-N 3.16Å; T45-K67 WeakPolarHBondContact O-CD 3.43Å; T45-K67 WeakPolarHBondContact O-CE 3.39Å; T45-K67 PolarHBondContact O-NZ 2.91Å
46R97.1Very high94.8Very high156 Ų15683 Ų8359%0.58943%0.427SS*.G310 helixtrans-94.4-15.7178.6-61.8-177.5-175.2157.32.5113.4P43 W44 T66 K67P43-R46 HydrophobicContact CB-CG 4.3Å; P43-R46 WeakPolarHBondContact O-CB 3.46Å; P43-R46 PolarHBondContact O-N 3.19Å; W44-R46 PolarHBondContact O-N 2.9Å; R46-T66 CarbonylContact O-C 3.42Å; R46-T66 WeakPolarHBondContact O-CA 3.47Å; R46-T66 VanDerWaalsContact O-CB 3.29Å; R46-T66 WeakPolarHBondContact O-CB 3.35Å; R46-K67 PolarHBondContact O-N 2.92Å
47V97.5Very high94.8Very high9 Ų975.8 Ų75.86%0.05539%0.394CS..EExtended strand (participates in β ladder)trans-79135.6-178.2-177.60000109.3L42 W44 F64 Y84 L88L42-V47 HydrophobicContact CB-CG2 3.96Å; L42-V47 HydrophobicContact CD1-CG2 4.27Å; W44-V47 HydrophobicContact CE3-CB 4.4Å; W44-V47 PolarHBondContact O-N 2.84Å; V47-F64 HydrophobicContact CG1-CB 4.44Å; V47-F64 HydrophobicContact CG1-CD1 3.73Å; V47-F64 HydrophobicContact CG1-CE1 4.37Å; V47-F64 HydrophobicContact CG1-CG 4.3Å; V47-Y84 HydrophobicContact CB-CD2 4.45Å; V47-Y84 HydrophobicContact CG1-CD2 4.46Å; V47-Y84 HydrophobicContact CG2-CD2 3.8Å; V47-Y84 HydrophobicContact CG2-CE2 3.64Å; V47-L88 HydrophobicContact CG1-CD1 3.81Å
48Q97.3Very high94.6Very high115 Ų11578.7 Ų78.754%0.53742%0.42SS..EExtended strand (participates in β ladder)trans-115.5-46.4180-175.6178.930.600111.4T65 T66 K67Q48-T65 WeakPolarHBondContact CB-O 3.49Å; Q48-T65 PolarHBondContact N-O 3.48Å; Q48-T66 PolarHBondContact OE1-O 2.04Å; Q48-K67 HydrophobicContact CB-CG 3.97Å
49S97.5Very high94.5Very high38 Ų3881.3 Ų81.327%0.26643%0.428SS..EExtended strand (participates in β ladder)trans-151.6172.3-178.667.10000111.3F64 T65S49-F64 WeakPolarHBondContact O-CA 3.34Å; S49-T65 PolarHBondContact N-O 3.29Å; S49-T65 PolarHBondContact O-N 3.41Å; S49-T65 WeakPolarHBondContact OG-CB 3.38Å
50Y97.3Very high94.6Very high39 Ų3976.3 Ų76.315%0.15341%0.405CS..EExtended strand (participates in β ladder)trans-137.7153173.578.9-83.3000110.6F52 V62 I63 F64 I85 L88Y50-F52 HydrophobicContact CD2-CE2 4.42Å; Y50-F52 HydrophobicContact CE2-CD2 4.15Å; Y50-F52 AromaticContact CE2-CE2 3.74Å; Y50-F52 HydrophobicContact CE2-CE2 3.74Å; Y50-F52 HydrophobicContact CE2-CZ 4.44Å; Y50-V62 HydrophobicContact CD2-CG1 4.34Å; Y50-I63 CarbonylContact C-O 3.55Å; Y50-I63 VanDerWaalsContact CA-O 3.25Å; Y50-I63 WeakPolarHBondContact CA-O 3.28Å; Y50-F64 HydrophobicContact CG-CE1 4.45Å; Y50-I85 HydrophobicContact CD2-CG1 4.09Å; Y50-I85 HydrophobicContact CE1-CG2 4.33Å; Y50-I85 HydrophobicContact CE2-CG1 4.26Å; Y50-I85 HydrophobicContact CE2-CG2 3.92Å; Y50-I85 HydrophobicContact CG-CG1 4.38Å; Y50-L88 HydrophobicContact CD1-CB 3.64Å; Y50-L88 HydrophobicContact CD1-CD1 3.61Å; Y50-L88 HydrophobicContact CD1-CG 4.27Å; Y50-L88 HydrophobicContact CE1-CB 3.78Å; Y50-L88 HydrophobicContact CG-CD1 4.28Å
51E96.2Very high94.8Very high74 Ų7468.2 Ų68.235%0.34637%0.37SS..EExtended strand (participates in β ladder)trans-138.7148170.761.7-167.5-176.500109.3I63 K71E51-I63 HydrophobicContact CG-CB 3.7Å; E51-I63 HydrophobicContact CG-CD1 4.27Å; E51-I63 HydrophobicContact CG-CG1 4.47Å; E51-I63 HydrophobicContact CG-CG2 4.2Å; E51-I63 PolarHBondContact N-O 3.24Å; E51-I63 PolarHBondContact O-N 2.83Å; E51-K71 IonicContact OE1-NZ 2.8Å; E51-K71 PolarHBondContact OE1-NZ 3.4Å; E51-K71 IonicContact OE2-NZ 3.98Å
52F95.8Very high95Very high108 Ų10864.6 Ų64.647%0.47434%0.344SS..EExtended strand (participates in β ladder)trans-86.8145.7169.5-75.3-77.9000109.1Y50 V62 I85Y50-F52 HydrophobicContact CD2-CE2 4.42Å; Y50-F52 HydrophobicContact CE2-CD2 4.15Å; Y50-F52 AromaticContact CE2-CE2 3.74Å; Y50-F52 HydrophobicContact CE2-CE2 3.74Å; Y50-F52 HydrophobicContact CE2-CZ 4.44Å; F52-V62 HydrophobicContact CD1-CG2 3.7Å; F52-V62 HydrophobicContact CE1-CG2 3.43Å; F52-V62 VanDerWaalsContact CE1-CG2 3.43Å; F52-V62 HydrophobicContact CZ-CG2 4.27Å; F52-I85 HydrophobicContact CE1-CD1 4.33Å; F52-I85 HydrophobicContact CZ-CD1 4Å
53T95Very high95.1Very high7 Ų763.6 Ų63.64%0.04334%0.339CS..PPolyproline II helixtrans-61157.517052.50000111C34 Q60 A61 I63C34-T53 HydrophobicContact CB-CG2 4.27Å; T53-Q60 PolarHBondContact O-NE2 3.12Å; T53-Q60 PolarHBondContact OG1-NE2 3.09Å; T53-A61 HydrophobicContact CG2-CB 3.79Å; T53-A61 PolarHBondContact N-O 3.39Å; T53-A61 PolarHBondContact OG1-N 2.88Å; T53-A61 PolarHBondContact OG1-O 2.99Å; T53-I63 HydrophobicContact CG2-CD1 4.02Å; T53-I63 HydrophobicContact CG2-CG1 4.2Å
54S92.1Very high95.1Very high38 Ų3861 Ų6127%0.26632%0.323SS..PPolyproline II helixtrans-58.6146.3174-178.80000111.2S56 C57S54-S56 PolarHBondContact O-N 3.04Å; S54-S56 VanDerWaalsContact O-N 3.15Å; S54-S56 PolarHBondContact OG-N 3.47Å; S54-S56 PolarHBondContact OG-OG 2.8Å; S54-C57 WeakPolarHBondContact O-CB 3.49Å; S54-C57 PolarHBondContact O-N 3.42Å; S54-C57 PolarHBondContact O-SG 3.44Å
55S90.4Very high95.2Very high115 Ų11557.3 Ų57.380%0.80431%0.311SS*.THydrogen-bonded Turntrans-60.5-18.7171.653.30000113.7C57S55-C57 VanDerWaalsContact C-N 3.28Å
56S91Very high95.2Very high72 Ų7253.1 Ų53.150%0.50329%0.285SS..THydrogen-bonded Turntrans-77.1-9.9174.256.30000114.1K31 S54K31-S56 VanDerWaalsContact CD-OG 3.3Å; K31-S56 WeakPolarHBondContact CD-OG 3.38Å; K31-S56 PolarHBondContact NZ-OG 3.35Å; S54-S56 PolarHBondContact O-N 3.04Å; S54-S56 VanDerWaalsContact O-N 3.15Å; S54-S56 PolarHBondContact OG-N 3.47Å; S54-S56 PolarHBondContact OG-OG 2.8Å
57C92.4Very high95.2Very high12 Ų1252.3 Ų52.38%0.08129%0.286CS..SBendtrans-74.5139.4173.5-60.20000110.2C33 S54 S55 Q59C33-C57 WeakPolarHBondContact CA-SG 3.28Å; C33-C57 HydrophobicContact CB-CB 3.84Å; C33-C57 WeakPolarHBondContact CB-SG 3.38Å; C33-C57 VanDerWaalsContact SG-CA 3.55Å; C33-C57 WeakPolarHBondContact SG-CB 3.28Å; C33-C57 CovalentContact SG-SG 2.05Å; C33-C57 PolarHBondContact SG-SG 2.98Å; S54-C57 WeakPolarHBondContact O-CB 3.49Å; S54-C57 PolarHBondContact O-N 3.42Å; S54-C57 PolarHBondContact O-SG 3.44Å; S55-C57 VanDerWaalsContact C-N 3.28Å; C57-Q59 PolarHBondContact O-N 3.47Å; C57-Q59 VanDerWaalsContact O-N 3.17Å
58S90.7Very high95.2Very high112 Ų11263.5 Ų63.578%0.78333%0.327SS*.SBendtrans-61.9-24177.357.40000113.5
59Q90.6Very high95.2Very high99 Ų9960.3 Ų60.346%0.46333%0.325SS..SBendtrans-128.2126.3177-64.3-175.3-800110.5C57C57-Q59 PolarHBondContact O-N 3.47Å; C57-Q59 VanDerWaalsContact O-N 3.17Å
60Q93.9Very high95.1Very high86 Ų8665.4 Ų65.440%0.40234%0.342SS..  trans-77.3124.9174.4-163.463.726.600110.4T53T53-Q60 PolarHBondContact O-NE2 3.12Å; T53-Q60 PolarHBondContact OG1-NE2 3.09Å
61A96.9Very high95.1Very high0 Ų068.8 Ų68.80%036%0.358CS..  trans-133.3166.7178.800000112.1C34 T53C34-A61 HydrophobicContact CB-CB 3.58Å; T53-A61 HydrophobicContact CG2-CB 3.79Å; T53-A61 PolarHBondContact N-O 3.39Å; T53-A61 PolarHBondContact OG1-N 2.88Å; T53-A61 PolarHBondContact OG1-O 2.99Å
62V97.4Very high95.1Very high0 Ų066.1 Ų66.10%035%0.347CS..EExtended strand (participates in β ladder)trans-111.1123.3170.8177.60000108Y50 F52 F64 T74 P76 V81 I85Y50-V62 HydrophobicContact CD2-CG1 4.34Å; F52-V62 HydrophobicContact CD1-CG2 3.7Å; F52-V62 HydrophobicContact CE1-CG2 3.43Å; F52-V62 VanDerWaalsContact CE1-CG2 3.43Å; F52-V62 HydrophobicContact CZ-CG2 4.27Å; V62-F64 HydrophobicContact CG1-CD2 4.46Å; V62-F64 HydrophobicContact CG1-CE1 4.19Å; V62-F64 HydrophobicContact CG1-CE2 4.09Å; V62-F64 HydrophobicContact CG1-CZ 3.94Å; V62-T74 PolarHBondContact N-O 3.48Å; V62-T74 PolarHBondContact O-N 2.82Å; V62-T74 PolarHBondContact O-OG1 3.3Å; V62-P76 HydrophobicContact CG2-CB 4.06Å; V62-V81 HydrophobicContact CB-CG1 4.02Å; V62-V81 HydrophobicContact CG1-CG1 4.25Å; V62-V81 HydrophobicContact CG2-CG1 4.09Å; V62-I85 HydrophobicContact CG1-CD1 4.15Å; V62-I85 HydrophobicContact CG1-CG1 4.27Å; V62-I85 HydrophobicContact CG2-CD1 3.68Å
63I97.8Very high95.2Very high3 Ų362.6 Ų62.62%0.01534%0.335CS..EExtended strand (participates in β ladder)trans-97.1117.4173.8-58.3169.9000107.3T32 C34 Y50 E51 T53 K71 V72T32-I63 HydrophobicContact CG2-CD1 3.75Å; C34-I63 VanDerWaalsContact SG-CG1 3.59Å; Y50-I63 CarbonylContact C-O 3.55Å; Y50-I63 VanDerWaalsContact CA-O 3.25Å; Y50-I63 WeakPolarHBondContact CA-O 3.28Å; E51-I63 HydrophobicContact CG-CB 3.7Å; E51-I63 HydrophobicContact CG-CD1 4.27Å; E51-I63 HydrophobicContact CG-CG1 4.47Å; E51-I63 HydrophobicContact CG-CG2 4.2Å; E51-I63 PolarHBondContact N-O 3.24Å; E51-I63 PolarHBondContact O-N 2.83Å; T53-I63 HydrophobicContact CG2-CD1 4.02Å; T53-I63 HydrophobicContact CG2-CG1 4.2Å; I63-K71 HydrophobicContact CG2-CB 3.82Å; I63-K71 HydrophobicContact CG2-CD 4.19Å; I63-K71 HydrophobicContact CG2-CG 4.17Å; I63-V72 WeakPolarHBondContact CA-O 3.46Å
64F97.9Very high95.3Very high0 Ų062.2 Ų62.20%033%0.333CS..EExtended strand (participates in β ladder)trans-90.9132.9167.3-71.7-65.3000110L42 V47 S49 Y50 V62 K71 V72 T74 W80 V81 Y84 I85 L88L42-F64 HydrophobicContact CD1-CB 3.77Å; L42-F64 HydrophobicContact CD1-CD2 4.2Å; L42-F64 HydrophobicContact CD1-CG 4.3Å; V47-F64 HydrophobicContact CG1-CB 4.44Å; V47-F64 HydrophobicContact CG1-CD1 3.73Å; V47-F64 HydrophobicContact CG1-CE1 4.37Å; V47-F64 HydrophobicContact CG1-CG 4.3Å; S49-F64 WeakPolarHBondContact O-CA 3.34Å; Y50-F64 HydrophobicContact CG-CE1 4.45Å; V62-F64 HydrophobicContact CG1-CD2 4.46Å; V62-F64 HydrophobicContact CG1-CE1 4.19Å; V62-F64 HydrophobicContact CG1-CE2 4.09Å; V62-F64 HydrophobicContact CG1-CZ 3.94Å; F64-K71 CarbonylContact O-C 3.55Å; F64-K71 WeakPolarHBondContact O-CA 3.43Å; F64-V72 PolarHBondContact N-O 2.99Å; F64-V72 PolarHBondContact O-N 2.84Å; F64-T74 HydrophobicContact CD2-CG2 3.76Å; F64-T74 HydrophobicContact CE2-CG2 4.19Å; F64-T74 WeakPolarHBondContact CE2-OG1 3.25Å; F64-W80 HydrophobicContact CD2-CH2 4.27Å; F64-W80 HydrophobicContact CD2-CZ3 4.12Å; F64-W80 HydrophobicContact CE2-CH2 4.13Å; F64-W80 AromaticContact CE2-CZ3 3.74Å; F64-W80 HydrophobicContact CE2-CZ3 3.74Å; F64-V81 HydrophobicContact CE2-CB 4.33Å; F64-V81 HydrophobicContact CE2-CG1 3.9Å; F64-V81 HydrophobicContact CE2-CG2 4.21Å; F64-V81 HydrophobicContact CZ-CG1 4.04Å; F64-Y84 HydrophobicContact CE1-CD2 4.49Å; F64-Y84 HydrophobicContact CZ-CD2 4.31Å; F64-Y84 HydrophobicContact CZ-CG 4.43Å; F64-I85 HydrophobicContact CZ-CG1 4.36Å; F64-L88 HydrophobicContact CD1-CD1 4.18Å; F64-L88 HydrophobicContact CE1-CD1 3.95Å
65T97.6Very high95.5Very high19 Ų1962.7 Ų62.712%0.11733%0.332CS..EExtended strand (participates in β ladder)trans-99124.3169-57.10000108.2Q48 S49Q48-T65 WeakPolarHBondContact CB-O 3.49Å; Q48-T65 PolarHBondContact N-O 3.48Å; S49-T65 PolarHBondContact N-O 3.29Å; S49-T65 PolarHBondContact O-N 3.41Å; S49-T65 WeakPolarHBondContact OG-CB 3.38Å
66T97.5Very high95.8Very high14 Ų1458.9 Ų58.99%0.08631%0.305CS..EExtended strand (participates in β ladder)trans-79.6161.9175.367.30000111R46 Q48 R68 G69 K70R46-T66 CarbonylContact O-C 3.42Å; R46-T66 WeakPolarHBondContact O-CA 3.47Å; R46-T66 VanDerWaalsContact O-CB 3.29Å; R46-T66 WeakPolarHBondContact O-CB 3.35Å; Q48-T66 PolarHBondContact OE1-O 2.04Å; T66-R68 PolarHBondContact O-N 3.44Å; T66-R68 PolarHBondContact OG1-N 3.07Å; T66-G69 WeakPolarHBondContact O-CA 3.25Å; T66-G69 PolarHBondContact O-N 2.81Å; T66-K70 HydrophobicContact CG2-CB 4.42Å; T66-K70 PolarHBondContact N-O 2.91Å; T66-K70 WeakPolarHBondContact OG1-CB 3.39Å; T66-K70 PolarHBondContact OG1-N 3.03Å; T66-K70 PolarHBondContact OG1-O 3.17Å
67K97.3Very high96Very high139 Ų13963.9 Ų63.960%0.60432%0.318SS*.THydrogen-bonded Turntrans-57-17.3174-66.4178.5177.7172.40114.3T45 R46 Q48T45-K67 WeakPolarHBondContact O-CD 3.43Å; T45-K67 WeakPolarHBondContact O-CE 3.39Å; T45-K67 PolarHBondContact O-NZ 2.91Å; R46-K67 PolarHBondContact O-N 2.92Å; Q48-K67 HydrophobicContact CB-CG 3.97Å
68R97.3Very high96.2Very high243 Ų24368.9 Ų68.992%0.91734%0.338SS*.THydrogen-bonded Turntrans-93.912174.2-65-174.2176.7179.7-2.8113T66 K70T66-R68 PolarHBondContact O-N 3.44Å; T66-R68 PolarHBondContact OG1-N 3.07Å; R68-K70 PolarHBondContact O-N 2.8Å
69G96.3Very high96.5Very high49 Ų4972.5 Ų72.551%0.50534%0.34SS..SBendtrans76.6-5-178.500000115.6T66 K71T66-G69 WeakPolarHBondContact O-CA 3.25Å; T66-G69 PolarHBondContact O-N 2.81Å; G69-K71 PolarHBondContact O-N 3.4Å
70K96.1Very high96.8Very high145 Ų14570.4 Ų70.463%0.6333%0.327SS*.  trans-66.1124.7177.7-174.9177.6-177.1173.10110.7T66 R68 V72T66-K70 HydrophobicContact CG2-CB 4.42Å; T66-K70 PolarHBondContact N-O 2.91Å; T66-K70 WeakPolarHBondContact OG1-CB 3.39Å; T66-K70 PolarHBondContact OG1-N 3.03Å; T66-K70 PolarHBondContact OG1-O 3.17Å; R68-K70 PolarHBondContact O-N 2.8Å; K70-V72 HydrophobicContact CD-CG2 4.39Å; K70-V72 HydrophobicContact CG-CG2 4.2Å
71K96.1Very high97Very high109 Ų10966.3 Ų66.347%0.47431%0.308SS..EExtended strand (participates in β ladder)trans-85.9136.1170.7-65.6-168.3175.7-153.70110.9E51 I63 F64 G69E51-K71 IonicContact OE1-NZ 2.8Å; E51-K71 PolarHBondContact OE1-NZ 3.4Å; E51-K71 IonicContact OE2-NZ 3.98Å; I63-K71 HydrophobicContact CG2-CB 3.82Å; I63-K71 HydrophobicContact CG2-CD 4.19Å; I63-K71 HydrophobicContact CG2-CG 4.17Å; F64-K71 CarbonylContact O-C 3.55Å; F64-K71 WeakPolarHBondContact O-CA 3.43Å; G69-K71 PolarHBondContact O-N 3.4Å
72V96.9Very high97Very high18 Ų1871.4 Ų71.411%0.10933%0.332CS..EExtended strand (participates in β ladder)trans-134.9115.3-178.4-177.60000109.7L42 I63 F64 K70 T74L42-V72 HydrophobicContact CD1-CB 3.97Å; L42-V72 HydrophobicContact CD1-CG1 4.11Å; L42-V72 HydrophobicContact CD1-CG2 4.18Å; L42-V72 HydrophobicContact CD2-CG1 4.33Å; L42-V72 HydrophobicContact CD2-CG2 4.14Å; L42-V72 HydrophobicContact CG-CG1 4.46Å; I63-V72 WeakPolarHBondContact CA-O 3.46Å; F64-V72 PolarHBondContact N-O 2.99Å; F64-V72 PolarHBondContact O-N 2.84Å; K70-V72 HydrophobicContact CD-CG2 4.39Å; K70-V72 HydrophobicContact CG-CG2 4.2Å; V72-T74 HydrophobicContact CG1-CG2 4.12Å
73C97.4Very high97Very high34 Ų3480 Ų8023%0.2336%0.364CS..EExtended strand (participates in β ladder)trans-70.3132.9173.1-70.80000111.4C34 Q36 S38C34-C73 HydrophobicContact CB-CB 3.58Å; C34-C73 WeakPolarHBondContact CB-SG 2.98Å; C34-C73 WeakPolarHBondContact SG-CB 3.03Å; C34-C73 CovalentContact SG-SG 2.04Å; C34-C73 PolarHBondContact SG-SG 3.16Å; Q36-C73 WeakPolarHBondContact O-CB 3.14Å; S38-C73 PolarHBondContact N-O 2.05Å
74T97.4Very high97Very high0 Ų081.2 Ų81.20%037%0.369CS..EExtended strand (participates in β ladder)trans-140.5151.7-178.165.90000112H37 V62 F64 V72 W80H37-T74 PolarHBondContact CD2-O 3.02Å; V62-T74 PolarHBondContact N-O 3.48Å; V62-T74 PolarHBondContact O-N 2.82Å; V62-T74 PolarHBondContact O-OG1 3.3Å; F64-T74 HydrophobicContact CD2-CG2 3.76Å; F64-T74 HydrophobicContact CE2-CG2 4.19Å; F64-T74 WeakPolarHBondContact CE2-OG1 3.25Å; V72-T74 HydrophobicContact CG1-CG2 4.12Å; T74-W80 HydrophobicContact CG2-CH2 3.63Å; T74-W80 HydrophobicContact CG2-CZ2 4.02Å
75N96.9Very high97Very high48 Ų4882.5 Ų82.526%0.25738%0.376SS..  trans-80.2121.3-178.8-179.8-21.8000110.4H37 K77 K78 V81H37-N75 HydrophobicContact CB-CB 4.23Å; N75-K77 PolarHBondContact O-N 3.15Å; N75-K77 VanDerWaalsContact O-N 3.09Å; N75-K77 VanDerWaalsContact OD1-CB 3.28Å; N75-K77 WeakPolarHBondContact OD1-CB 3.08Å; N75-K77 PolarHBondContact OD1-N 2.71Å; N75-K78 HydrophobicContact CB-CG 4.08Å; N75-K78 PolarHBondContact O-N 2.84Å; N75-K78 VanDerWaalsContact O-N 3.12Å; N75-V81 WeakPolarHBondContact O-CG2 3.37Å
76P96.3Very high97Very high35 Ų3585 Ų8523%0.22739%0.394CS..THydrogen-bonded Turntrans-63.2-18.6-177.225.1-34000113.9V62 K78 Q82V62-P76 HydrophobicContact CG2-CB 4.06Å; P76-K78 VanDerWaalsContact C-N 3.3Å; P76-K78 PolarHBondContact O-N 3.45Å; P76-Q82 WeakPolarHBondContact O-CG 3.3Å; P76-Q82 PolarHBondContact O-NE2 2.78Å
77K95.7Very high97Very high177 Ų17787.4 Ų87.477%0.7741%0.406SS*.THydrogen-bonded Turntrans-79.6-8179.4-57.5-178177.7-178.30113.3N75N75-K77 PolarHBondContact O-N 3.15Å; N75-K77 VanDerWaalsContact O-N 3.09Å; N75-K77 VanDerWaalsContact OD1-CB 3.28Å; N75-K77 WeakPolarHBondContact OD1-CB 3.08Å; N75-K77 PolarHBondContact OD1-N 2.71Å
78K97Very high97Very high117 Ų11781.5 Ų81.551%0.50938%0.381SS..SBendtrans-80.4130179.6-66.6-68.6-175.1-179.60110.4N75 P76 W80 V81 Q82N75-K78 HydrophobicContact CB-CG 4.08Å; N75-K78 PolarHBondContact O-N 2.84Å; N75-K78 VanDerWaalsContact O-N 3.12Å; P76-K78 VanDerWaalsContact C-N 3.3Å; P76-K78 PolarHBondContact O-N 3.45Å; K78-W80 VanDerWaalsContact C-N 3.27Å; K78-W80 PolarHBondContact O-N 2.93Å; K78-V81 HydrophobicContact CB-CB 4.3Å; K78-V81 HydrophobicContact CB-CG2 3.83Å; K78-V81 WeakPolarHBondContact O-CB 3.33Å; K78-V81 PolarHBondContact O-N 2.86Å; K78-Q82 PolarHBondContact O-N 3.08Å
79K96.9Very high96.9Very high188 Ų18875.4 Ų75.482%0.81736%0.361SS*.Hα-helixtrans-51.9-41.6-178.9-66.8-173.1178.2-177.20113.5V81 Q82 R83K79-V81 VanDerWaalsContact C-N 3.33Å; K79-V81 PolarHBondContact O-N 2.8Å; K79-Q82 PolarHBondContact O-N 3.35Å; K79-R83 PolarHBondContact O-N 2.8Å
80W96.8Very high96.7Very high55 Ų5576.6 Ų76.621%0.20836%0.358CS..Hα-helixtrans-67.3-33.4179.573.9-97.7000112.9L42 F64 T74 K78 R83 Y84L42-W80 HydrophobicContact CB-CZ3 4.44Å; L42-W80 HydrophobicContact CG-CH2 4.37Å; F64-W80 HydrophobicContact CD2-CH2 4.27Å; F64-W80 HydrophobicContact CD2-CZ3 4.12Å; F64-W80 HydrophobicContact CE2-CH2 4.13Å; F64-W80 AromaticContact CE2-CZ3 3.74Å; F64-W80 HydrophobicContact CE2-CZ3 3.74Å; T74-W80 HydrophobicContact CG2-CH2 3.63Å; T74-W80 HydrophobicContact CG2-CZ2 4.02Å; K78-W80 VanDerWaalsContact C-N 3.27Å; K78-W80 PolarHBondContact O-N 2.93Å; W80-R83 PolarHBondContact O-N 2.75Å; W80-Y84 AromaticContact CE3-CD2 4Å; W80-Y84 HydrophobicContact CE3-CD2 4Å; W80-Y84 HydrophobicContact CE3-CE2 4.06Å; W80-Y84 HydrophobicContact CE3-CG 4.34Å; W80-Y84 AromaticContact CZ3-CD2 3.94Å; W80-Y84 HydrophobicContact CZ3-CD2 3.94Å; W80-Y84 HydrophobicContact CZ3-CE2 4.05Å; W80-Y84 WeakPolarHBondContact O-CD1 3.07Å; W80-Y84 PolarHBondContact O-N 2.72Å
81V97.6Very high96.3Very high0 Ų075.7 Ų75.70%036%0.356CS..Hα-helixtrans-66.3-47.5177.2173.90000109.5V62 F64 N75 K78 K79 R83 Y84 I85V62-V81 HydrophobicContact CB-CG1 4.02Å; V62-V81 HydrophobicContact CG1-CG1 4.25Å; V62-V81 HydrophobicContact CG2-CG1 4.09Å; F64-V81 HydrophobicContact CE2-CB 4.33Å; F64-V81 HydrophobicContact CE2-CG1 3.9Å; F64-V81 HydrophobicContact CE2-CG2 4.21Å; F64-V81 HydrophobicContact CZ-CG1 4.04Å; N75-V81 WeakPolarHBondContact O-CG2 3.37Å; K78-V81 HydrophobicContact CB-CB 4.3Å; K78-V81 HydrophobicContact CB-CG2 3.83Å; K78-V81 WeakPolarHBondContact O-CB 3.33Å; K78-V81 PolarHBondContact O-N 2.86Å; K79-V81 VanDerWaalsContact C-N 3.33Å; K79-V81 PolarHBondContact O-N 2.8Å; V81-R83 VanDerWaalsContact C-N 3.34Å; V81-R83 PolarHBondContact O-N 3.37Å; V81-Y84 PolarHBondContact O-N 3.26Å; V81-I85 HydrophobicContact CG1-CD1 4.13Å; V81-I85 WeakPolarHBondContact O-CG1 3.33Å; V81-I85 PolarHBondContact O-N 3.31Å
82Q97.8Very high95.5Very high107 Ų10777.2 Ų77.250%0.536%0.363SS..Hα-helixtrans-60.5-42.3176.6-64.8176.7-24.500112P76 K78 K79 Y84 I85 S86P76-Q82 WeakPolarHBondContact O-CG 3.3Å; P76-Q82 PolarHBondContact O-NE2 2.78Å; K78-Q82 PolarHBondContact O-N 3.08Å; K79-Q82 PolarHBondContact O-N 3.35Å; Q82-Y84 VanDerWaalsContact C-N 3.34Å; Q82-Y84 PolarHBondContact O-N 2.97Å; Q82-I85 PolarHBondContact O-N 3.45Å; Q82-S86 PolarHBondContact O-N 3.29Å
83R97.5Very high94.2Very high179 Ų17983.2 Ų83.268%0.67539%0.39SS*.Hα-helixtrans-58.7-44.8174.7-176175.9179.6171.20.6111.7K79 W80 V81 S86 L87K79-R83 PolarHBondContact O-N 2.8Å; W80-R83 PolarHBondContact O-N 2.75Å; V81-R83 VanDerWaalsContact C-N 3.34Å; V81-R83 PolarHBondContact O-N 3.37Å; R83-S86 PolarHBondContact O-N 3.34Å; R83-L87 HydrophobicContact CG-CD1 4.2Å; R83-L87 WeakPolarHBondContact O-CG 3.44Å; R83-L87 PolarHBondContact O-N 3.22Å
84Y97.8Very high92.2Very high30 Ų3090.3 Ų90.312%0.11842%0.424CS..Hα-helixtrans-67.7-40-179.1-79.820.3000112L42 W44 V47 F64 W80 V81 Q82 S86 L87 L88L42-Y84 WeakPolarHBondContact O-CE2 3.36Å; L42-Y84 PolarHBondContact O-OH 3.47Å; W44-Y84 WeakPolarHBondContact CA-OH 3.38Å; W44-Y84 HydrophobicContact CB-CE1 4.12Å; W44-Y84 HydrophobicContact CB-CE2 4.39Å; W44-Y84 VanDerWaalsContact CB-OH 3.29Å; W44-Y84 WeakPolarHBondContact CB-OH 3.49Å; W44-Y84 HydrophobicContact CD2-CE1 4.27Å; W44-Y84 AromaticContact CE3-CD1 3.56Å; W44-Y84 HydrophobicContact CE3-CD1 3.56Å; W44-Y84 AromaticContact CE3-CD2 3.71Å; W44-Y84 HydrophobicContact CE3-CD2 3.71Å; W44-Y84 AromaticContact CE3-CE1 3.63Å; W44-Y84 HydrophobicContact CE3-CE1 3.63Å; W44-Y84 AromaticContact CE3-CE2 3.78Å; W44-Y84 HydrophobicContact CE3-CE2 3.78Å; W44-Y84 AromaticContact CE3-CG 3.61Å; W44-Y84 HydrophobicContact CE3-CG 3.61Å; W44-Y84 AromaticContact CE3-CZ 3.75Å; W44-Y84 HydrophobicContact CG-CE1 4.5Å; W44-Y84 AromaticContact CZ3-CD1 3.93Å; W44-Y84 HydrophobicContact CZ3-CD1 3.93Å; W44-Y84 HydrophobicContact CZ3-CD2 4.07Å; W44-Y84 HydrophobicContact CZ3-CE1 4.45Å; W44-Y84 AromaticContact CZ3-CG 3.72Å; W44-Y84 HydrophobicContact CZ3-CG 3.72Å; W44-Y84 PolarHBondContact N-OH 2.8Å; V47-Y84 HydrophobicContact CB-CD2 4.45Å; V47-Y84 HydrophobicContact CG1-CD2 4.46Å; V47-Y84 HydrophobicContact CG2-CD2 3.8Å; V47-Y84 HydrophobicContact CG2-CE2 3.64Å; F64-Y84 HydrophobicContact CE1-CD2 4.49Å; F64-Y84 HydrophobicContact CZ-CD2 4.31Å; F64-Y84 HydrophobicContact CZ-CG 4.43Å; W80-Y84 AromaticContact CE3-CD2 4Å; W80-Y84 HydrophobicContact CE3-CD2 4Å; W80-Y84 HydrophobicContact CE3-CE2 4.06Å; W80-Y84 HydrophobicContact CE3-CG 4.34Å; W80-Y84 AromaticContact CZ3-CD2 3.94Å; W80-Y84 HydrophobicContact CZ3-CD2 3.94Å; W80-Y84 HydrophobicContact CZ3-CE2 4.05Å; W80-Y84 WeakPolarHBondContact O-CD1 3.07Å; W80-Y84 PolarHBondContact O-N 2.72Å; V81-Y84 PolarHBondContact O-N 3.26Å; Q82-Y84 VanDerWaalsContact C-N 3.34Å; Q82-Y84 PolarHBondContact O-N 2.97Å; Y84-S86 VanDerWaalsContact C-N 3.32Å; Y84-S86 PolarHBondContact O-N 2.73Å; Y84-L87 PolarHBondContact O-N 3.02Å; Y84-L88 WeakPolarHBondContact O-CB 3.41Å; Y84-L88 VanDerWaalsContact O-CG 3.28Å; Y84-L88 WeakPolarHBondContact O-CG 3.49Å; Y84-L88 PolarHBondContact O-N 3.44Å
85I97.6Very high91.9Very high27 Ų2794.8 Ų94.814%0.13845%0.446CS..Hα-helixtrans-57.8-47.5172.9-68168000110.3Y50 F52 V62 F64 V81 Q82 L87 L88 K89Y50-I85 HydrophobicContact CD2-CG1 4.09Å; Y50-I85 HydrophobicContact CE1-CG2 4.33Å; Y50-I85 HydrophobicContact CE2-CG1 4.26Å; Y50-I85 HydrophobicContact CE2-CG2 3.92Å; Y50-I85 HydrophobicContact CG-CG1 4.38Å; F52-I85 HydrophobicContact CE1-CD1 4.33Å; F52-I85 HydrophobicContact CZ-CD1 4Å; V62-I85 HydrophobicContact CG1-CD1 4.15Å; V62-I85 HydrophobicContact CG1-CG1 4.27Å; V62-I85 HydrophobicContact CG2-CD1 3.68Å; F64-I85 HydrophobicContact CZ-CG1 4.36Å; V81-I85 HydrophobicContact CG1-CD1 4.13Å; V81-I85 WeakPolarHBondContact O-CG1 3.33Å; V81-I85 PolarHBondContact O-N 3.31Å; Q82-I85 PolarHBondContact O-N 3.45Å; I85-L87 PolarHBondContact O-N 3.08Å; I85-L88 PolarHBondContact O-N 3.34Å; I85-K89 VanDerWaalsContact O-CB 3.25Å; I85-K89 WeakPolarHBondContact O-CB 3.18Å; I85-K89 PolarHBondContact O-N 3.14Å
86S97.6Very high91.7Very high71 Ų7197.3 Ų97.350%0.49746%0.456SS..Hα-helixtrans-60.9-47.2179.5-173.60000111.9Q82 R83 Y84 K89 T90Q82-S86 PolarHBondContact O-N 3.29Å; R83-S86 PolarHBondContact O-N 3.34Å; Y84-S86 VanDerWaalsContact C-N 3.32Å; Y84-S86 PolarHBondContact O-N 2.73Å; S86-K89 PolarHBondContact O-N 3.11Å; S86-T90 PolarHBondContact O-N 3.41Å; S86-T90 PolarHBondContact O-OG1 3.49Å; S86-T90 VanDerWaalsContact O-OG1 3.12Å
87L96.7Very high91.4Very high64 Ų64100.7 Ų100.734%0.33547%0.468SS..Hα-helixtrans-61.2-46.1178.3-70.2170.9000111.8W44 R83 Y84 I85 K89 T90 Q91W44-L87 HydrophobicContact CD2-CD1 4.29Å; W44-L87 HydrophobicContact CE3-CD1 4.27Å; W44-L87 HydrophobicContact CH2-CB 3.35Å; W44-L87 HydrophobicContact CH2-CD1 3.88Å; W44-L87 HydrophobicContact CH2-CG 4.26Å; W44-L87 HydrophobicContact CZ2-CB 3.78Å; W44-L87 HydrophobicContact CZ2-CD1 3.89Å; W44-L87 HydrophobicContact CZ2-CG 4.42Å; W44-L87 HydrophobicContact CZ3-CB 4.04Å; W44-L87 HydrophobicContact CZ3-CD1 4.07Å; R83-L87 HydrophobicContact CG-CD1 4.2Å; R83-L87 WeakPolarHBondContact O-CG 3.44Å; R83-L87 PolarHBondContact O-N 3.22Å; Y84-L87 PolarHBondContact O-N 3.02Å; I85-L87 PolarHBondContact O-N 3.08Å; L87-K89 VanDerWaalsContact C-N 3.33Å; L87-K89 PolarHBondContact O-N 3.07Å; L87-T90 PolarHBondContact O-N 3.43Å; L87-Q91 VanDerWaalsContact O-CG 3.28Å; L87-Q91 WeakPolarHBondContact O-CG 3.46Å; L87-Q91 PolarHBondContact O-N 3.46Å
88L96.7Very high91.2Very high15 Ų1596.2 Ų96.28%0.07945%0.451CS..Hα-helixtrans-67.7-33.4178.9-69.7168.4000112.2W44 V47 Y50 F64 Y84 I85 Q91 K92W44-L88 HydrophobicContact CH2-CD2 3.88Å; W44-L88 HydrophobicContact CH2-CG 3.82Å; W44-L88 HydrophobicContact CZ3-CD1 4.47Å; W44-L88 HydrophobicContact CZ3-CD2 4.32Å; W44-L88 HydrophobicContact CZ3-CG 4.03Å; V47-L88 HydrophobicContact CG1-CD1 3.81Å; Y50-L88 HydrophobicContact CD1-CB 3.64Å; Y50-L88 HydrophobicContact CD1-CD1 3.61Å; Y50-L88 HydrophobicContact CD1-CG 4.27Å; Y50-L88 HydrophobicContact CE1-CB 3.78Å; Y50-L88 HydrophobicContact CG-CD1 4.28Å; F64-L88 HydrophobicContact CD1-CD1 4.18Å; F64-L88 HydrophobicContact CE1-CD1 3.95Å; Y84-L88 WeakPolarHBondContact O-CB 3.41Å; Y84-L88 VanDerWaalsContact O-CG 3.28Å; Y84-L88 WeakPolarHBondContact O-CG 3.49Å; Y84-L88 PolarHBondContact O-N 3.44Å; I85-L88 PolarHBondContact O-N 3.34Å; L88-Q91 PolarHBondContact O-N 3.46Å; L88-K92 WeakPolarHBondContact O-CG 3.2Å; L88-K92 PolarHBondContact O-N 3.35Å
89K95.6Very high90.8Very high116 Ų11694.9 Ų94.950%0.50445%0.447SS..Hα-helixtrans-65.2-44.5175.3-175.5176.6178.6-1780111I85 S86 L87 Q91 K92 Q93I85-K89 VanDerWaalsContact O-CB 3.25Å; I85-K89 WeakPolarHBondContact O-CB 3.18Å; I85-K89 PolarHBondContact O-N 3.14Å; S86-K89 PolarHBondContact O-N 3.11Å; L87-K89 VanDerWaalsContact C-N 3.33Å; L87-K89 PolarHBondContact O-N 3.07Å; K89-Q91 VanDerWaalsContact C-N 3.35Å; K89-K92 PolarHBondContact O-N 3.32Å; K89-Q93 WeakPolarHBondContact O-CG 3.49Å; K89-Q93 PolarHBondContact O-N 3.24Å
90T92.3Very high90.4Very high73 Ų7388.7 Ų88.745%0.44842%0.422SS..Hα-helixtrans-62.6-41.3175.2-55.30000111.7S86 L87 K92 Q93 L94S86-T90 PolarHBondContact O-N 3.41Å; S86-T90 PolarHBondContact O-OG1 3.49Å; S86-T90 VanDerWaalsContact O-OG1 3.12Å; L87-T90 PolarHBondContact O-N 3.43Å; T90-K92 PolarHBondContact O-N 3.44Å; T90-Q93 PolarHBondContact O-N 3.37Å; T90-L94 HydrophobicContact CG2-CD1 4.41Å; T90-L94 PolarHBondContact O-N 3.03Å
91Q87Confident89.9Confident126 Ų12691.1 Ų91.159%0.58944%0.438SS*.Hα-helixtrans-65.6-34.3177.7-70.4-74.1-52.800113.5L87 L88 K89 Q93L87-Q91 VanDerWaalsContact O-CG 3.28Å; L87-Q91 WeakPolarHBondContact O-CG 3.46Å; L87-Q91 PolarHBondContact O-N 3.46Å; L88-Q91 PolarHBondContact O-N 3.46Å; K89-Q91 VanDerWaalsContact C-N 3.35Å; Q91-Q93 PolarHBondContact O-N 3.12Å
92K79.6Confident89.4Confident141 Ų14198.2 Ų98.261%0.61347%0.471SS*.THydrogen-bonded Turntrans-73.3-13.9176.4-79-175176.4-176.80113.9L88 K89 T90L88-K92 WeakPolarHBondContact O-CG 3.2Å; L88-K92 PolarHBondContact O-N 3.35Å; K89-K92 PolarHBondContact O-N 3.32Å; T90-K92 PolarHBondContact O-N 3.44Å
93Q69.8Low88.7Confident145 Ų14597.4 Ų97.468%0.67847%0.469SS*.THydrogen-bonded Turntrans-99.1-5-179.1-71.2177.4-27.300112.8K89 T90 Q91K89-Q93 WeakPolarHBondContact O-CG 3.49Å; K89-Q93 PolarHBondContact O-N 3.24Å; T90-Q93 PolarHBondContact O-N 3.37Å; Q91-Q93 PolarHBondContact O-N 3.12Å
94L55.8Low87.8Confident182 Ų18290 Ų9095%0.95345%0.45SS*.  trans-97.90171-75.7156.8000108.9T90T90-L94 HydrophobicContact CG2-CD1 4.41Å; T90-L94 PolarHBondContact O-N 3.03Å

Retrieved 94 of 94 residues in 88.5 ms (Link to these results)