A0A078BCJ0_HUMAN Loading...

Transforming growth factor, beta 1

Required to maintain the Transforming growth factor beta-1 (TGF-beta-1) chain in a latent state during storage in extracellular matrix. Associates non-covalently with TGF-beta-1 and regulates its activation via interaction with 'milieu molecules', such as LTBP1, LRRC32/GARP and LRRC33/NRROS, that control activation of TGF-beta-1. Interaction with LRRC33/NRROS regulates activation of TGF-beta-1 in macrophages and microglia. Interaction with LRRC32/GARP controls activation of TGF-beta-1 on the surface of activated regulatory T-cells (Tregs). Interaction with integrins (ITGAV:ITGB6 or ITGAV:ITGB8) results in distortion of the Latency-associated peptide chain and subsequent release of the active TGF-beta-1.

AlphaFold DB , UniProt , Accession A0A078BCJ0, Species HUMAN (Homo sapiens, Human), Gene TGFB1, Length 143 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
1M57.4Low71.4Confident233 Ų233113.9 Ų113.9100%1.14863%0.628SS**  0115.70-63.6173.211000107
2P57.1Low72.1Confident71 Ų71111.7 Ų111.746%0.46161%0.614SS.*  trans-67.5139.8-177.628.4-33.4000109.7S4 R7P2-S4 PolarHBondContact O-N 2.98Å; P2-R7 HydrophobicContact CG-CG 4.38Å
3P68.8Low72.9Confident86 Ų86111.8 Ų111.856%0.55861%0.613SS**  trans-61.7137.7-176.826.7-34.5000110G5 L6P3-G5 PolarHBondContact O-N 3.15Å; P3-L6 HydrophobicContact CG-CD1 3.82Å; P3-L6 HydrophobicContact CG-CG 4.39Å; P3-L6 PolarHBondContact O-N 3.28Å
4S70Confident73.4Confident106 Ų106108.8 Ų108.874%0.74160%0.601SS**Hα-helixtrans-52.2-28.4-168.8-38.50000114.3P2 R7 L8P2-S4 PolarHBondContact O-N 2.98Å; S4-R7 PolarHBondContact O-N 3.43Å; S4-L8 PolarHBondContact O-N 2.77Å
5G72.3Confident73.7Confident54 Ų54108.7 Ų108.756%0.55760%0.599SS**Hα-helixtrans-68.9-33.717700000114.5P3 R7 L8 L9P3-G5 PolarHBondContact O-N 3.15Å; G5-R7 VanDerWaalsContact C-N 3.33Å; G5-L8 PolarHBondContact O-N 3.39Å; G5-L9 WeakPolarHBondContact O-CB 3Å; G5-L9 PolarHBondContact O-N 3Å
6L75.6Confident74Confident91 Ų91108.5 Ų108.548%0.47660%0.596SS.*Hα-helixtrans-69.7-32.9176.9-86.4168000111.6P3 L9 L10P3-L6 HydrophobicContact CG-CD1 3.82Å; P3-L6 HydrophobicContact CG-CG 4.39Å; P3-L6 PolarHBondContact O-N 3.28Å; L6-L9 PolarHBondContact O-N 3.02Å; L6-L10 WeakPolarHBondContact O-CB 3.47Å; L6-L10 WeakPolarHBondContact O-CG 3.35Å; L6-L10 PolarHBondContact O-N 3.41Å
7R75.3Confident74.3Confident159 Ų159112.3 Ų112.360%0.660%0.599SS**Hα-helixtrans-68.5-39.3175.4-73.2-164.9165.3-174.9-2.6112.3P2 S4 G5 L11P2-R7 HydrophobicContact CG-CG 4.38Å; S4-R7 PolarHBondContact O-N 3.43Å; G5-R7 VanDerWaalsContact C-N 3.33Å; R7-L11 PolarHBondContact O-N 2.96Å; R7-L11 VanDerWaalsContact O-N 3.15Å
8L76.6Confident74.4Confident106 Ų106112.1 Ų112.156%0.55560%0.597SS**Hα-helixtrans-66.2-43.8175-171.965.8000110.6S4 G5 L10 L11 L12S4-L8 PolarHBondContact O-N 2.77Å; G5-L8 PolarHBondContact O-N 3.39Å; L8-L10 PolarHBondContact O-N 3.2Å; L8-L11 PolarHBondContact O-N 3.09Å; L8-L11 VanDerWaalsContact O-N 3.17Å; L8-L12 HydrophobicContact CD1-CD1 4.23Å; L8-L12 HydrophobicContact CD1-CG 4.31Å; L8-L12 HydrophobicContact CD2-CD1 4.3Å; L8-L12 HydrophobicContact CG-CD1 3.76Å; L8-L12 HydrophobicContact CG-CG 4.24Å; L8-L12 WeakPolarHBondContact O-CB 3.41Å; L8-L12 VanDerWaalsContact O-CG 3.25Å; L8-L12 WeakPolarHBondContact O-CG 3.48Å; L8-L12 PolarHBondContact O-N 3.21Å
9L78.3Confident74.3Confident100 Ų100112.7 Ų112.752%0.52460%0.6SS.*Hα-helixtrans-60.5-43.9176.7-171.168.4000112G5 L6 L11 L12 L13G5-L9 WeakPolarHBondContact O-CB 3Å; G5-L9 PolarHBondContact O-N 3Å; L6-L9 PolarHBondContact O-N 3.02Å; L9-L11 VanDerWaalsContact C-N 3.26Å; L9-L11 PolarHBondContact O-N 3.15Å; L9-L12 PolarHBondContact O-N 2.82Å; L9-L13 WeakPolarHBondContact O-CB 3.34Å; L9-L13 PolarHBondContact O-N 2.75Å
10L77.1Confident74.2Confident121 Ų121112.5 Ų112.563%0.63460%0.603SS**Hα-helixtrans-67.2-22.3177.7-71.6171.5000113.7L6 L8 P14L6-L10 WeakPolarHBondContact O-CB 3.47Å; L6-L10 WeakPolarHBondContact O-CG 3.35Å; L6-L10 PolarHBondContact O-N 3.41Å; L8-L10 PolarHBondContact O-N 3.2Å; L10-P14 WeakPolarHBondContact O-CD 3.47Å; L10-P14 WeakPolarHBondContact O-CG 3.5Å
11L76.8Confident73.9Confident126 Ų126112.6 Ų112.666%0.6660%0.603SS**Hα-helixtrans-87.6-35.4173.6-93.8155.9000112.5R7 L8 L9 P14R7-L11 PolarHBondContact O-N 2.96Å; R7-L11 VanDerWaalsContact O-N 3.15Å; L8-L11 PolarHBondContact O-N 3.09Å; L8-L11 VanDerWaalsContact O-N 3.17Å; L9-L11 VanDerWaalsContact C-N 3.26Å; L9-L11 PolarHBondContact O-N 3.15Å; L11-P14 WeakPolarHBondContact O-CD 3.37Å; L11-P14 WeakPolarHBondContact O-CG 3.43Å
12L80.4Confident74.3Confident87 Ų87104.7 Ų104.746%0.45557%0.568SS.*Hα-helixtrans-75-33.7179.1-70.3175000112.2L8 L9 L15 L16L8-L12 HydrophobicContact CD1-CD1 4.23Å; L8-L12 HydrophobicContact CD1-CG 4.31Å; L8-L12 HydrophobicContact CD2-CD1 4.3Å; L8-L12 HydrophobicContact CG-CD1 3.76Å; L8-L12 HydrophobicContact CG-CG 4.24Å; L8-L12 WeakPolarHBondContact O-CB 3.41Å; L8-L12 VanDerWaalsContact O-CG 3.25Å; L8-L12 WeakPolarHBondContact O-CG 3.48Å; L8-L12 PolarHBondContact O-N 3.21Å; L9-L12 PolarHBondContact O-N 2.82Å; L12-L15 HydrophobicContact CD2-CD2 4.49Å; L12-L15 PolarHBondContact O-N 2.95Å; L12-L16 VanDerWaalsContact O-CB 3.25Å; L12-L16 WeakPolarHBondContact O-CB 3.35Å; L12-L16 PolarHBondContact O-N 3.34Å
13L82.8Confident74.4Confident114 Ų114106.7 Ų106.760%0.59758%0.581SS**Hα-helixtrans-59.6-50.1179.4-153.183.9000113.5L9 L15 W17L9-L13 WeakPolarHBondContact O-CB 3.34Å; L9-L13 PolarHBondContact O-N 2.75Å; L13-L15 VanDerWaalsContact C-N 3.35Å; L13-W17 WeakPolarHBondContact O-CB 3.5Å; L13-W17 PolarHBondContact O-N 3.2Å
14P80.1Confident73.9Confident69 Ų69105.8 Ų105.845%0.44859%0.587SS.*Hα-helixtrans-70.6-29.9175.928.2-35.3000112.4L10 L11 W17 L18L10-P14 WeakPolarHBondContact O-CD 3.47Å; L10-P14 WeakPolarHBondContact O-CG 3.5Å; L11-P14 WeakPolarHBondContact O-CD 3.37Å; L11-P14 WeakPolarHBondContact O-CG 3.43Å; P14-W17 PolarHBondContact O-N 3.4Å; P14-L18 WeakPolarHBondContact O-CB 3.21Å; P14-L18 PolarHBondContact O-N 2.9Å
15L76.9Confident73.4Confident108 Ų108112.2 Ų112.257%0.56560%0.595SS**Hα-helixtrans-68.2-42.5175.7-174.766.8000111.5L12 L13 L18 L19L12-L15 HydrophobicContact CD2-CD2 4.49Å; L12-L15 PolarHBondContact O-N 2.95Å; L13-L15 VanDerWaalsContact C-N 3.35Å; L15-L18 PolarHBondContact O-N 2.98Å; L15-L19 WeakPolarHBondContact O-CB 3.35Å; L15-L19 PolarHBondContact O-N 3.46Å
16L78.5Confident72.4Confident105 Ų105114.8 Ų114.855%0.5560%0.602SS.*Hα-helixtrans-67.6-41.1174.8-175.565.5000110.8L12 L19 V20L12-L16 VanDerWaalsContact O-CB 3.25Å; L12-L16 WeakPolarHBondContact O-CB 3.35Å; L12-L16 PolarHBondContact O-N 3.34Å; L16-L19 PolarHBondContact O-N 3.33Å; L16-V20 WeakPolarHBondContact O-CB 3.44Å; L16-V20 VanDerWaalsContact O-CG2 3.3Å; L16-V20 WeakPolarHBondContact O-CG2 3.45Å; L16-V20 PolarHBondContact O-N 3.09Å
17W80Confident71.6Confident173 Ų173115 Ų11566%0.65562%0.617SS**Hα-helixtrans-63.6-43.1175-168.420000111.2L13 P14 L19 V20 L21L13-W17 WeakPolarHBondContact O-CB 3.5Å; L13-W17 PolarHBondContact O-N 3.2Å; P14-W17 PolarHBondContact O-N 3.4Å; W17-L19 VanDerWaalsContact C-N 3.33Å; W17-L19 PolarHBondContact O-N 2.9Å; W17-V20 PolarHBondContact O-N 3.48Å; W17-L21 WeakPolarHBondContact O-CB 3.35Å; W17-L21 PolarHBondContact O-N 3.34Å
18L75.8Confident70.6Confident108 Ų108111 Ų11157%0.56562%0.618SS**Hα-helixtrans-61.1-41.4174.5-173.465.9000111.3P14 L15 L21 T22P14-L18 WeakPolarHBondContact O-CB 3.21Å; P14-L18 PolarHBondContact O-N 2.9Å; L15-L18 PolarHBondContact O-N 2.98Å; L18-L21 PolarHBondContact O-N 2.91Å; L18-T22 WeakPolarHBondContact O-CB 3.37Å; L18-T22 VanDerWaalsContact O-CG2 3.29Å; L18-T22 WeakPolarHBondContact O-CG2 3.22Å; L18-T22 PolarHBondContact O-N 2.99Å; L18-T22 PolarHBondContact O-OG1 3.35Å
19L72.1Confident69.5Low124 Ų124107.7 Ų107.765%0.64961%0.609SS**Hα-helixtrans-65.9-36.2177.3-171.565.7000112.6L15 L16 W17 T22L15-L19 WeakPolarHBondContact O-CB 3.35Å; L15-L19 PolarHBondContact O-N 3.46Å; L16-L19 PolarHBondContact O-N 3.33Å; W17-L19 VanDerWaalsContact C-N 3.33Å; W17-L19 PolarHBondContact O-N 2.9Å; L19-T22 WeakPolarHBondContact CA-OG1 3.3Å; L19-T22 PolarHBondContact O-OG1 3Å
20V72.6Confident68.5Low109 Ų109110.9 Ų110.966%0.66163%0.626SS**Hα-helixtrans-75.2-36.3175.4170.20000111.7L16 W17L16-V20 WeakPolarHBondContact O-CB 3.44Å; L16-V20 VanDerWaalsContact O-CG2 3.3Å; L16-V20 WeakPolarHBondContact O-CG2 3.45Å; L16-V20 PolarHBondContact O-N 3.09Å; W17-V20 PolarHBondContact O-N 3.48Å
21L68.3Low67.4Low114 Ų114109.2 Ų109.260%0.59762%0.624SS**Hα-helixtrans-82.5-16.4178.8-118.665.4000113.6W17 L18 P23W17-L21 WeakPolarHBondContact O-CB 3.35Å; W17-L21 PolarHBondContact O-N 3.34Å; L18-L21 PolarHBondContact O-N 2.91Å; L21-P23 WeakPolarHBondContact O-CD 3.47Å
22T65.9Low66.5Low67 Ų67106.2 Ų106.241%0.41161%0.611SS.*SBendtrans-76.1102.6164480000107.4L18 L19 G24L18-T22 WeakPolarHBondContact O-CB 3.37Å; L18-T22 VanDerWaalsContact O-CG2 3.29Å; L18-T22 WeakPolarHBondContact O-CG2 3.22Å; L18-T22 PolarHBondContact O-N 2.99Å; L18-T22 PolarHBondContact O-OG1 3.35Å; L19-T22 WeakPolarHBondContact CA-OG1 3.3Å; L19-T22 PolarHBondContact O-OG1 3Å; T22-G24 PolarHBondContact O-N 3.22Å
23P58.5Low65.3Low114 Ų114106.6 Ų106.674%0.7462%0.62SS**  trans-55117.4162.525.4-33.2000105.3L21 R25L21-P23 WeakPolarHBondContact O-CD 3.47Å; P23-R25 PolarHBondContact O-N 3.18Å
24G58.4Low64.4Low67 Ų67108.1 Ų108.169%0.69162%0.622SS**  trans-47.9110.7-178.700000107.3T22 P26T22-G24 PolarHBondContact O-N 3.22Å; G24-P26 WeakPolarHBondContact O-CD 3.45Å
25R58.6Low63.8Low240 Ų240108.3 Ų108.391%0.90662%0.622SS**  trans-56.2112169.4-94.3176.6137.2173.9-4.6103.5P23 A27P23-R25 PolarHBondContact O-N 3.18Å; R25-A27 PolarHBondContact O-N 3.33Å; R25-A27 VanDerWaalsContact O-N 3.1Å
26P52Low63.6Low108 Ų108108.2 Ų108.270%0.70162%0.621SS**  trans-56.2130.817224.1-30.7000104.7G24 A28G24-P26 WeakPolarHBondContact O-CD 3.45Å; P26-A28 PolarHBondContact O-N 2.95Å
27A57.9Low63.7Low97 Ų97107.9 Ų107.980%0.80262%0.62SS**  trans-6470.6168.100000108.2R25 G29R25-A27 PolarHBondContact O-N 3.33Å; R25-A27 VanDerWaalsContact O-N 3.1Å; A27-G29 PolarHBondContact O-N 2.84Å
28A54.9Low64.1Low74 Ų74103.9 Ų103.961%0.61261%0.609SS**THydrogen-bonded Turntrans-76.93217100000110.1P26 T32P26-A28 PolarHBondContact O-N 2.95Å; A28-T32 WeakPolarHBondContact O-CG2 3.43Å; A28-T32 PolarHBondContact O-OG1 3.16Å; A28-T32 VanDerWaalsContact O-OG1 3.12Å
29G54.5Low64.8Low36 Ų36102.9 Ų102.937%0.37160%0.602SS.*THydrogen-bonded Turntrans-117.4-7.2-157.800000116.2A27A27-G29 PolarHBondContact O-N 2.84Å
30L57.2Low65.6Low167 Ų167101.1 Ų101.187%0.87459%0.593SS**SBendtrans-108.3-11.7-176.7-60.7-179.7000114.4
31S54.1Low66.5Low86 Ų8697.5 Ų97.560%0.60158%0.578SS**SBendtrans-101.3-25.2173.2-166.90000112.9C33 K34 T35S31-C33 PolarHBondContact O-N 3.48Å; S31-K34 PolarHBondContact O-N 2.6Å; S31-T35 PolarHBondContact O-N 2.68Å; S31-T35 VanDerWaalsContact O-N 3.12Å; S31-T35 PolarHBondContact O-OG1 3.44Å
32T57.7Low67.7Low63 Ų6397.8 Ų97.839%0.38757%0.574SS.*Hα-helixtrans-69.6-31.3-176.644.70000113.8A28 T35 I36A28-T32 WeakPolarHBondContact O-CG2 3.43Å; A28-T32 PolarHBondContact O-OG1 3.16Å; A28-T32 VanDerWaalsContact O-OG1 3.12Å; T32-T35 WeakPolarHBondContact CA-OG1 3.39Å; T32-T35 PolarHBondContact O-OG1 3.37Å; T32-T35 VanDerWaalsContact O-OG1 3.12Å; T32-I36 WeakPolarHBondContact O-CB 3.34Å; T32-I36 VanDerWaalsContact O-CG1 3.26Å; T32-I36 WeakPolarHBondContact O-CG1 3.42Å; T32-I36 PolarHBondContact O-N 3.22Å; T32-I36 VanDerWaalsContact O-N 3.11Å
33C55Low69.1Low95 Ų95102.7 Ų102.764%0.64259%0.585SS**Hα-helixtrans-66-37.6173.8-60.70000112.2S31 D37S31-C33 PolarHBondContact O-N 3.48Å; C33-D37 WeakPolarHBondContact O-CB 3.27Å; C33-D37 PolarHBondContact O-N 2.88Å
34K63.4Low70.9Confident146 Ų146104.9 Ų104.964%0.63558%0.583SS**Hα-helixtrans-75.2-36.3178.6-173.4171.3175.265.40112.1S31 M38S31-K34 PolarHBondContact O-N 2.6Å; K34-M38 VanDerWaalsContact O-CG 3.3Å; K34-M38 WeakPolarHBondContact O-CG 3.45Å; K34-M38 PolarHBondContact O-N 3.46Å; K34-M38 VanDerWaalsContact O-N 3.15Å
35T67.6Low72.8Confident73 Ų73110 Ų11045%0.44858%0.581SS.*Hα-helixtrans-70.5-41.7177.855.90000112.3S31 T32 D37 M38 E39S31-T35 PolarHBondContact O-N 2.68Å; S31-T35 VanDerWaalsContact O-N 3.12Å; S31-T35 PolarHBondContact O-OG1 3.44Å; T32-T35 WeakPolarHBondContact CA-OG1 3.39Å; T32-T35 PolarHBondContact O-OG1 3.37Å; T32-T35 VanDerWaalsContact O-OG1 3.12Å; T35-D37 VanDerWaalsContact C-N 3.33Å; T35-D37 PolarHBondContact O-N 3.28Å; T35-M38 PolarHBondContact O-N 3.38Å; T35-E39 WeakPolarHBondContact O-CG 3.27Å; T35-E39 PolarHBondContact O-N 3.04Å
36I72.6Confident74.6Confident107 Ų107103.9 Ų103.955%0.54957%0.566SS.*Hα-helixtrans-61.2-42.3176.3-68.6169.8000111T32 E39 L40T32-I36 WeakPolarHBondContact O-CB 3.34Å; T32-I36 VanDerWaalsContact O-CG1 3.26Å; T32-I36 WeakPolarHBondContact O-CG1 3.42Å; T32-I36 PolarHBondContact O-N 3.22Å; T32-I36 VanDerWaalsContact O-N 3.11Å; I36-E39 PolarHBondContact O-N 3.28Å; I36-L40 HydrophobicContact CG2-CD1 4.26Å; I36-L40 WeakPolarHBondContact O-CG 3.4Å; I36-L40 PolarHBondContact O-N 3.22Å
37D80.8Confident76.8Confident98 Ų98104 Ų10452%0.52456%0.556SS.*Hα-helixtrans-62.3-42.7176.7-176.337.9000112.3C33 T35 E39 L40 G41C33-D37 WeakPolarHBondContact O-CB 3.27Å; C33-D37 PolarHBondContact O-N 2.88Å; T35-D37 VanDerWaalsContact C-N 3.33Å; T35-D37 PolarHBondContact O-N 3.28Å; D37-E39 PolarHBondContact O-N 3.16Å; D37-L40 PolarHBondContact O-N 3.06Å; D37-G41 PolarHBondContact O-N 2.89Å
38M88.6Confident78.6Confident88 Ų88102.4 Ų102.443%0.43354%0.543SS..Hα-helixtrans-66.2-37.6175.8-67.7-62.491.800113.3K34 T35 G41 K42K34-M38 VanDerWaalsContact O-CG 3.3Å; K34-M38 WeakPolarHBondContact O-CG 3.45Å; K34-M38 PolarHBondContact O-N 3.46Å; K34-M38 VanDerWaalsContact O-N 3.15Å; T35-M38 PolarHBondContact O-N 3.38Å; M38-G41 PolarHBondContact O-N 3.43Å; M38-K42 VanDerWaalsContact O-CG 3.28Å; M38-K42 WeakPolarHBondContact O-CG 3.37Å; M38-K42 PolarHBondContact O-N 3.42Å
39E89.9Confident80.7Confident87 Ų87101.3 Ų101.341%0.40753%0.527SS..Hα-helixtrans-66.4-39.2176.1-70-58.4109.900111.9T35 I36 D37 K42 R43T35-E39 WeakPolarHBondContact O-CG 3.27Å; T35-E39 PolarHBondContact O-N 3.04Å; I36-E39 PolarHBondContact O-N 3.28Å; D37-E39 PolarHBondContact O-N 3.16Å; E39-K42 WeakPolarHBondContact OE1-CD 3.4Å; E39-K42 IonicContact OE1-NZ 2.76Å; E39-K42 PolarHBondContact OE1-NZ 2.81Å; E39-R43 VanDerWaalsContact O-CG 3.28Å; E39-R43 WeakPolarHBondContact O-CG 3.41Å; E39-R43 PolarHBondContact O-N 2.88Å
40L89.9Confident82.7Confident88 Ų88106 Ų10646%0.46153%0.533SS..Hα-helixtrans-67.4-40173.1-67.7176.4000112I36 D37 R43 K44I36-L40 HydrophobicContact CG2-CD1 4.26Å; I36-L40 WeakPolarHBondContact O-CG 3.4Å; I36-L40 PolarHBondContact O-N 3.22Å; D37-L40 PolarHBondContact O-N 3.06Å; L40-R43 PolarHBondContact O-N 2.98Å; L40-K44 WeakPolarHBondContact O-CG 3.23Å; L40-K44 PolarHBondContact O-N 3.49Å
41G90.8Very high84.5Confident33 Ų3399.9 Ų99.934%0.3451%0.511SS..Hα-helixtrans-60.7-45.1174.700000112.4D37 M38 K44 R45D37-G41 PolarHBondContact O-N 2.89Å; M38-G41 PolarHBondContact O-N 3.43Å; G41-K44 PolarHBondContact O-N 2.87Å; G41-R45 WeakPolarHBondContact O-CB 3.47Å; G41-R45 PolarHBondContact O-N 3.47Å
42K94.3Very high86.6Confident119 Ų119100.4 Ų100.452%0.51750%0.504SS..Hα-helixtrans-60.1-46.2174.3-72.4171.8-170.4170.80111.5M38 E39 R45 I46M38-K42 VanDerWaalsContact O-CG 3.28Å; M38-K42 WeakPolarHBondContact O-CG 3.37Å; M38-K42 PolarHBondContact O-N 3.42Å; E39-K42 WeakPolarHBondContact OE1-CD 3.4Å; E39-K42 IonicContact OE1-NZ 2.76Å; E39-K42 PolarHBondContact OE1-NZ 2.81Å; K42-R45 PolarHBondContact O-N 2.85Å; K42-I46 VanDerWaalsContact O-CG1 3.25Å; K42-I46 WeakPolarHBondContact O-CG1 3.25Å; K42-I46 PolarHBondContact O-N 2.92Å
43R94.7Very high88.5Confident170 Ų170101.8 Ų101.864%0.64251%0.508SS*.Hα-helixtrans-60.5-46.2178.1-72.1174.1-171.4-158.42.4112.2E39 L40 R45 I46 E47E39-R43 VanDerWaalsContact O-CG 3.28Å; E39-R43 WeakPolarHBondContact O-CG 3.41Å; E39-R43 PolarHBondContact O-N 2.88Å; L40-R43 PolarHBondContact O-N 2.98Å; R43-R45 VanDerWaalsContact C-N 3.32Å; R43-R45 PolarHBondContact O-N 3.19Å; R43-I46 PolarHBondContact O-N 2.94Å; R43-E47 PolarHBondContact O-N 2.84Å; R43-E47 VanDerWaalsContact O-N 3.11Å
44K96.4Very high90.5Very high160 Ų16098.7 Ų98.770%0.69649%0.485SS*.Hα-helixtrans-60.6-42175.1-74.1179.4177.2179.20111.7L40 G41 E47 A48L40-K44 WeakPolarHBondContact O-CG 3.23Å; L40-K44 PolarHBondContact O-N 3.49Å; G41-K44 PolarHBondContact O-N 2.87Å; K44-E47 PolarHBondContact O-N 3.19Å; K44-A48 WeakPolarHBondContact O-CB 3.37Å; K44-A48 PolarHBondContact O-N 2.89Å
45R97.4Very high92Very high174 Ų17493.7 Ų93.766%0.65747%0.468SS*.Hα-helixtrans-65.7-38.7177.4-171.4174-174.2-88.6-0.9112.1G41 K42 R43 A48 I49G41-R45 WeakPolarHBondContact O-CB 3.47Å; G41-R45 PolarHBondContact O-N 3.47Å; K42-R45 PolarHBondContact O-N 2.85Å; R43-R45 VanDerWaalsContact C-N 3.32Å; R43-R45 PolarHBondContact O-N 3.19Å; R45-A48 PolarHBondContact O-N 3.45Å; R45-I49 HydrophobicContact CG-CD1 3.76Å; R45-I49 HydrophobicContact CG-CG1 4.32Å; R45-I49 VanDerWaalsContact NH1-CD1 3.28Å; R45-I49 WeakPolarHBondContact O-CB 3.28Å; R45-I49 VanDerWaalsContact O-CG1 3.23Å; R45-I49 WeakPolarHBondContact O-CG1 3.28Å; R45-I49 PolarHBondContact O-N 3.09Å
46I97.1Very high93.4Very high113 Ų11393.6 Ų93.658%0.57946%0.462SS*.Hα-helixtrans-60.3-48.3175.4-70.9162.5000110.2K42 R43 A48 I49 R50K42-I46 VanDerWaalsContact O-CG1 3.25Å; K42-I46 WeakPolarHBondContact O-CG1 3.25Å; K42-I46 PolarHBondContact O-N 2.92Å; R43-I46 PolarHBondContact O-N 2.94Å; I46-A48 PolarHBondContact O-N 2.86Å; I46-I49 PolarHBondContact O-N 3.35Å; I46-R50 WeakPolarHBondContact O-CB 3.4Å; I46-R50 PolarHBondContact O-N 3.46Å
47E97Very high94.6Very high109 Ų10993 Ų9351%0.50946%0.459SS..Hα-helixtrans-67-38.7-179.6-165.158.9-146.800112R43 K44 R50 G51R43-E47 PolarHBondContact O-N 2.84Å; R43-E47 VanDerWaalsContact O-N 3.11Å; K44-E47 PolarHBondContact O-N 3.19Å; E47-R50 WeakPolarHBondContact O-CB 3.43Å; E47-R50 PolarHBondContact O-N 3.2Å; E47-R50 IonicContact OE1-NH1 3.53Å; E47-R50 IonicContact OE2-NH1 3.76Å; E47-G51 PolarHBondContact O-N 3.11Å; E47-G51 VanDerWaalsContact O-N 3.09Å
48A97.1Very high95.3Very high64 Ų6496.9 Ų96.953%0.52947%0.466SS..Hα-helixtrans-62.3-45.2174.300000112K44 R45 I46 R50 G51 Q52K44-A48 WeakPolarHBondContact O-CB 3.37Å; K44-A48 PolarHBondContact O-N 2.89Å; R45-A48 PolarHBondContact O-N 3.45Å; I46-A48 PolarHBondContact O-N 2.86Å; A48-R50 VanDerWaalsContact C-N 3.34Å; A48-R50 PolarHBondContact O-N 3.35Å; A48-G51 PolarHBondContact O-N 3.5Å; A48-Q52 WeakPolarHBondContact O-CB 3.38Å; A48-Q52 PolarHBondContact O-N 2.98Å
49I97.6Very high95.6Very high51 Ų5195.9 Ų95.926%0.26246%0.462SS..Hα-helixtrans-66.1-38.2177.9-71.9171.5000110.9R45 I46 G51 Q52 I53R45-I49 HydrophobicContact CG-CD1 3.76Å; R45-I49 HydrophobicContact CG-CG1 4.32Å; R45-I49 VanDerWaalsContact NH1-CD1 3.28Å; R45-I49 WeakPolarHBondContact O-CB 3.28Å; R45-I49 VanDerWaalsContact O-CG1 3.23Å; R45-I49 WeakPolarHBondContact O-CG1 3.28Å; R45-I49 PolarHBondContact O-N 3.09Å; I46-I49 PolarHBondContact O-N 3.35Å; I49-G51 VanDerWaalsContact C-N 3.34Å; I49-G51 PolarHBondContact O-N 2.88Å; I49-Q52 PolarHBondContact O-N 3.49Å; I49-I53 HydrophobicContact CG2-CD1 3.66Å; I49-I53 HydrophobicContact CG2-CG1 4.14Å; I49-I53 WeakPolarHBondContact O-CG1 3.49Å; I49-I53 PolarHBondContact O-N 3.44Å
50R96.9Very high95.7Very high134 Ų13496.8 Ų96.851%0.50649%0.485SS..Hα-helixtrans-57.3-49175.3-175.7-173.4-178.5-164.31.7111I46 E47 A48 Q52 I53 L54I46-R50 WeakPolarHBondContact O-CB 3.4Å; I46-R50 PolarHBondContact O-N 3.46Å; E47-R50 WeakPolarHBondContact O-CB 3.43Å; E47-R50 PolarHBondContact O-N 3.2Å; E47-R50 IonicContact OE1-NH1 3.53Å; E47-R50 IonicContact OE2-NH1 3.76Å; A48-R50 VanDerWaalsContact C-N 3.34Å; A48-R50 PolarHBondContact O-N 3.35Å; R50-Q52 VanDerWaalsContact C-N 3.35Å; R50-I53 PolarHBondContact O-N 2.92Å; R50-L54 HydrophobicContact CG-CD1 4.46Å; R50-L54 WeakPolarHBondContact O-CG 3.49Å; R50-L54 PolarHBondContact O-N 3.45Å
51G96.4Very high95.9Very high39 Ų3996.3 Ų96.340%0.40249%0.488SS..Hα-helixtrans-62-41.6175.200000112.5E47 A48 I49 L54 S55E47-G51 PolarHBondContact O-N 3.11Å; E47-G51 VanDerWaalsContact O-N 3.09Å; A48-G51 PolarHBondContact O-N 3.5Å; I49-G51 VanDerWaalsContact C-N 3.34Å; I49-G51 PolarHBondContact O-N 2.88Å; G51-L54 PolarHBondContact O-N 2.89Å; G51-S55 WeakPolarHBondContact O-CB 3.48Å; G51-S55 PolarHBondContact O-N 3.33Å; G51-S55 PolarHBondContact O-OG 3.27Å
52Q96.8Very high96.1Very high97 Ų9798.6 Ų98.645%0.45350%0.498SS..Hα-helixtrans-64-42178.8-174.5-179.3-5.200112.9A48 I49 R50 S55 K56A48-Q52 WeakPolarHBondContact O-CB 3.38Å; A48-Q52 PolarHBondContact O-N 2.98Å; I49-Q52 PolarHBondContact O-N 3.49Å; R50-Q52 VanDerWaalsContact C-N 3.35Å; Q52-S55 WeakPolarHBondContact CA-OG 3.44Å; Q52-S55 PolarHBondContact O-OG 3.11Å; Q52-K56 HydrophobicContact CG-CD 4.35Å; Q52-K56 VanDerWaalsContact O-CB 3.3Å; Q52-K56 WeakPolarHBondContact O-CB 3.26Å; Q52-K56 VanDerWaalsContact O-CG 3.22Å; Q52-K56 WeakPolarHBondContact O-CG 3.32Å; Q52-K56 PolarHBondContact O-N 3.41Å
53I97Very high96Very high92 Ų9297.4 Ų97.447%0.47250%0.502SS..Hα-helixtrans-65-47.2177.8-68.7168000109.7I49 R50 S55 K56 L57I49-I53 HydrophobicContact CG2-CD1 3.66Å; I49-I53 HydrophobicContact CG2-CG1 4.14Å; I49-I53 WeakPolarHBondContact O-CG1 3.49Å; I49-I53 PolarHBondContact O-N 3.44Å; R50-I53 PolarHBondContact O-N 2.92Å; I53-S55 PolarHBondContact O-N 3.22Å; I53-K56 PolarHBondContact O-N 2.89Å; I53-L57 HydrophobicContact CG2-CD1 3.9Å; I53-L57 WeakPolarHBondContact O-CB 3.07Å; I53-L57 WeakPolarHBondContact O-CG 3.29Å; I53-L57 PolarHBondContact O-N 3.32Å
54L97.4Very high95.8Very high30 Ų3094.2 Ų94.216%0.15751%0.506CS..Hα-helixtrans-63.3-42.1179.6-71.1177.6000112.1R50 G51 L57 R58 L59R50-L54 HydrophobicContact CG-CD1 4.46Å; R50-L54 WeakPolarHBondContact O-CG 3.49Å; R50-L54 PolarHBondContact O-N 3.45Å; G51-L54 PolarHBondContact O-N 2.89Å; L54-L57 CarbonylContact O-C 3.59Å; L54-L57 PolarHBondContact O-N 3.06Å; L54-R58 PolarHBondContact O-N 3.35Å; L54-L59 WeakPolarHBondContact CB-O 3.3Å; L54-L59 HydrophobicContact CD2-CB 3.98Å; L54-L59 PolarHBondContact O-N 3.15Å
55S96.5Very high95.4Very high41 Ų4194.4 Ų94.429%0.28751%0.509SS..Hα-helixtrans-65.8-41176.768.40000112.1G51 Q52 I53 L57 R58 Y103 Y104G51-S55 WeakPolarHBondContact O-CB 3.48Å; G51-S55 PolarHBondContact O-N 3.33Å; G51-S55 PolarHBondContact O-OG 3.27Å; Q52-S55 WeakPolarHBondContact CA-OG 3.44Å; Q52-S55 PolarHBondContact O-OG 3.11Å; I53-S55 PolarHBondContact O-N 3.22Å; S55-L57 VanDerWaalsContact C-N 3.33Å; S55-L57 PolarHBondContact O-N 3.4Å; S55-R58 PolarHBondContact O-N 2.85Å; S55-Y103 PolarHBondContact OG-OH 3.4Å; S55-Y104 WeakPolarHBondContact O-CD1 3.37Å; S55-Y104 WeakPolarHBondContact O-CE1 3.46Å
56K96.9Very high94.7Very high72 Ų7290 Ų9031%0.31352%0.517SS..Hα-helixtrans-62.6-38.3175.6-78.6-173165.9-72.70112.5Q52 I53 R58 Y103 A105Q52-K56 HydrophobicContact CG-CD 4.35Å; Q52-K56 VanDerWaalsContact O-CB 3.3Å; Q52-K56 WeakPolarHBondContact O-CB 3.26Å; Q52-K56 VanDerWaalsContact O-CG 3.22Å; Q52-K56 WeakPolarHBondContact O-CG 3.32Å; Q52-K56 PolarHBondContact O-N 3.41Å; I53-K56 PolarHBondContact O-N 2.89Å; K56-R58 VanDerWaalsContact C-N 3.32Å; K56-Y103 WeakPolarHBondContact CG-O 2.95Å; K56-Y103 PolarHBondContact NZ-O 2.94Å; K56-A105 PolarHBondContact O-N 2.95Å
57L96.1Very high94Very high93 Ų9393.3 Ų93.349%0.48753%0.53SS..THydrogen-bonded Turntrans-84.4-3.5177.8-63.7176.1000113.8I53 L54 S55 L59 A105I53-L57 HydrophobicContact CG2-CD1 3.9Å; I53-L57 WeakPolarHBondContact O-CB 3.07Å; I53-L57 WeakPolarHBondContact O-CG 3.29Å; I53-L57 PolarHBondContact O-N 3.32Å; L54-L57 CarbonylContact O-C 3.59Å; L54-L57 PolarHBondContact O-N 3.06Å; S55-L57 VanDerWaalsContact C-N 3.33Å; S55-L57 PolarHBondContact O-N 3.4Å; L57-L59 VanDerWaalsContact C-N 3.26Å; L57-L59 HydrophobicContact CB-CD1 3.93Å; L57-L59 HydrophobicContact CB-CG 3.93Å; L57-L59 HydrophobicContact CD1-CD1 4.18Å; L57-L59 PolarHBondContact O-N 2.86Å; L57-A105 HydrophobicContact CD2-CB 3.8Å
58R95.8Very high93.6Very high180 Ų18092.7 Ų92.768%0.67953%0.534SS*.THydrogen-bonded Turntrans57.536.4-174.2-57.2-179.7171174.9-2.8113.4L54 S55 K56 Y104L54-R58 PolarHBondContact O-N 3.35Å; S55-R58 PolarHBondContact O-N 2.85Å; K56-R58 VanDerWaalsContact C-N 3.32Å; R58-Y104 HydrophobicContact CG-CD1 3.43Å; R58-Y104 VanDerWaalsContact CG-CD1 3.43Å; R58-Y104 HydrophobicContact CG-CE1 3.56Å; R58-Y104 HydrophobicContact CG-CG 4.33Å; R58-Y104 VanDerWaalsContact NE-CD1 3.28Å
59L94.8Very high93.2Very high68 Ų6894.8 Ų94.836%0.35654%0.542SS..  trans-106.9136.7178.1-62.2177.3000110.3L54 L57L54-L59 WeakPolarHBondContact CB-O 3.3Å; L54-L59 HydrophobicContact CD2-CB 3.98Å; L54-L59 PolarHBondContact O-N 3.15Å; L57-L59 VanDerWaalsContact C-N 3.26Å; L57-L59 HydrophobicContact CB-CD1 3.93Å; L57-L59 HydrophobicContact CB-CG 3.93Å; L57-L59 HydrophobicContact CD1-CD1 4.18Å; L57-L59 PolarHBondContact O-N 2.86Å
60A93.8Very high92.7Very high106 Ų10698.7 Ų98.788%0.87657%0.571SS**SBendtrans-78.8-30.4173.200000112.3
61S93.4Very high92.3Very high77 Ų7795.1 Ų95.154%0.53858%0.575SS.*SBendtrans-147.6160.4179.959.60000110.5
62P93.7Very high92.1Very high82 Ų8299.5 Ų99.553%0.53260%0.597SS.*PPolyproline II helixtrans-55.6138172.6-23.934.4000111.5
63P92.4Very high91.9Very high94 Ų9499.9 Ų99.961%0.6160%0.601SS**PPolyproline II helixtrans-71.5152.9178.430.1-33.2000110.9
64S91Very high91.8Very high103 Ų10399.6 Ų99.672%0.7261%0.606SS**PPolyproline II helixtrans-67.5131.3175.550.80000111G66S64-G66 VanDerWaalsContact C-N 3.32Å
65Q88.6Confident91.6Very high164 Ų164106.1 Ų106.177%0.76664%0.635SS**  trans-88.23.8177.8-65.2-174.5-11.200113.8E67 V68Q65-E67 PolarHBondContact O-N 3.28Å; Q65-V68 HydrophobicContact CB-CG2 4.39Å; Q65-V68 WeakPolarHBondContact O-CB 3.44Å; Q65-V68 PolarHBondContact O-N 3.36Å; Q65-V68 VanDerWaalsContact O-N 3.09Å
66G82.2Confident91.4Very high80 Ų80106.8 Ų106.883%0.82564%0.643SS**THydrogen-bonded Turntrans-63.8-24.1-173.100000114.9S64S64-G66 VanDerWaalsContact C-N 3.32Å
67E83Confident91.3Very high183 Ų183106.8 Ų106.886%0.85565%0.649SS**THydrogen-bonded Turntrans-95.4-3.5178.5-64.9178.7179.100113Q65 P69Q65-E67 PolarHBondContact O-N 3.28Å; E67-P69 WeakPolarHBondContact O-CD 2.92Å
68V88Confident91.2Very high97 Ų97106.1 Ų106.159%0.58865%0.646SS**SBendtrans-77.2121.6-178.7-1790000108.7Q65Q65-V68 HydrophobicContact CB-CG2 4.39Å; Q65-V68 WeakPolarHBondContact O-CB 3.44Å; Q65-V68 PolarHBondContact O-N 3.36Å; Q65-V68 VanDerWaalsContact O-N 3.09Å
69P88.5Confident91.1Very high107 Ų10799 Ų9970%0.69563%0.626SS**PPolyproline II helixtrans-63132179.824.8-32.7000110.1E67E67-P69 WeakPolarHBondContact O-CD 2.92Å
70P87.7Confident91.1Very high134 Ų13497.6 Ų97.687%0.8762%0.618SS**SBendtrans-70.6134.8174.129.5-33.3000109.5
71G88.9Confident91.1Very high58 Ų5899.4 Ų99.460%0.59860%0.603SS**SBendtrans139-174176.500000113.8
72P91.8Very high91.1Very high131 Ų13198.9 Ų98.985%0.85159%0.594SS**PPolyproline II helixtrans-65.4145.2175.628.2-33.3000110.8
73L93.4Very high91Very high106 Ų10697.3 Ų97.356%0.55559%0.586SS**PPolyproline II helixtrans-64.6148.4173.8-8770.7000110.3E75 V77 L78L73-E75 PolarHBondContact O-N 3.49Å; L73-V77 HydrophobicContact CD2-CG1 4.09Å; L73-L78 HydrophobicContact CB-CD2 4.18Å; L73-L78 HydrophobicContact CB-CG 4.14Å
74P94.4Very high90.9Very high86 Ų8695.2 Ų95.256%0.55857%0.571SS**PPolyproline II helixtrans-56139173.8-23.433000111.9A76 V77 L78P74-A76 PolarHBondContact O-N 3.05Å; P74-A76 VanDerWaalsContact O-N 3.16Å; P74-V77 HydrophobicContact CB-CG2 4.22Å; P74-V77 HydrophobicContact CG-CG2 4.35Å; P74-V77 WeakPolarHBondContact O-CB 3.41Å; P74-V77 PolarHBondContact O-N 3.34Å; P74-L78 PolarHBondContact O-N 2.97Å
75E93.8Very high90.8Very high166 Ų16696.4 Ų96.478%0.77656%0.56SS**Hα-helixtrans-55.5-36.9-178.7-172.9-175.5179.800112.4L73 V77 L78 A79L73-E75 PolarHBondContact O-N 3.49Å; E75-V77 VanDerWaalsContact C-N 3.28Å; E75-V77 PolarHBondContact O-N 2.76Å; E75-L78 PolarHBondContact O-N 3.32Å; E75-A79 WeakPolarHBondContact O-CB 3.19Å; E75-A79 PolarHBondContact O-N 3.11Å
76A92.3Very high90.7Very high56 Ų5692.6 Ų92.646%0.46355%0.545SS..Hα-helixtrans-59.4-37.8176.800000113P74 L80P74-A76 PolarHBondContact O-N 3.05Å; P74-A76 VanDerWaalsContact O-N 3.16Å; A76-L80 WeakPolarHBondContact O-CB 3.33Å; A76-L80 PolarHBondContact O-N 3.12Å; A76-L80 VanDerWaalsContact O-N 3.09Å
77V94.1Very high90.6Very high71 Ų7198.6 Ų98.643%0.4354%0.542SS..Hα-helixtrans-72.2-42.7177.4179.20000110.3L73 P74 E75 L80 Y81L73-V77 HydrophobicContact CD2-CG1 4.09Å; P74-V77 HydrophobicContact CB-CG2 4.22Å; P74-V77 HydrophobicContact CG-CG2 4.35Å; P74-V77 WeakPolarHBondContact O-CB 3.41Å; P74-V77 PolarHBondContact O-N 3.34Å; E75-V77 VanDerWaalsContact C-N 3.28Å; E75-V77 PolarHBondContact O-N 2.76Å; V77-L80 PolarHBondContact O-N 3.45Å; V77-Y81 WeakPolarHBondContact O-CB 3.34Å; V77-Y81 PolarHBondContact O-N 3.43Å
78L94.3Very high90.2Very high79 Ų7996 Ų9641%0.41454%0.538SS..Hα-helixtrans-62.1-44.7176.7-68.7173.5000111.7L73 P74 E75 L80 Y81 N82L73-L78 HydrophobicContact CB-CD2 4.18Å; L73-L78 HydrophobicContact CB-CG 4.14Å; P74-L78 PolarHBondContact O-N 2.97Å; E75-L78 PolarHBondContact O-N 3.32Å; L78-L80 VanDerWaalsContact C-N 3.34Å; L78-L80 PolarHBondContact O-N 3.12Å; L78-Y81 PolarHBondContact O-N 3.28Å; L78-N82 WeakPolarHBondContact O-CB 3.37Å; L78-N82 VanDerWaalsContact O-CG 3.25Å; L78-N82 PolarHBondContact O-N 3.47Å; L78-N82 PolarHBondContact O-ND2 3.44Å
79A92.9Very high89.6Confident32 Ų3295.4 Ų95.426%0.26454%0.544SS..Hα-helixtrans-65.1-38.6178.300000111.9E75 S83E75-A79 WeakPolarHBondContact O-CB 3.19Å; E75-A79 PolarHBondContact O-N 3.11Å; A79-S83 WeakPolarHBondContact O-CB 3.49Å; A79-S83 PolarHBondContact O-N 2.99Å; A79-S83 PolarHBondContact O-OG 2.82Å
80L94.8Very high88.2Confident37 Ų3792 Ų9219%0.19453%0.528CS..Hα-helixtrans-63.6-46.9173.5-177.864.3000111.9A76 V77 L78 S83 T84 V108 R110A76-L80 WeakPolarHBondContact O-CB 3.33Å; A76-L80 PolarHBondContact O-N 3.12Å; A76-L80 VanDerWaalsContact O-N 3.09Å; V77-L80 PolarHBondContact O-N 3.45Å; L78-L80 VanDerWaalsContact C-N 3.34Å; L78-L80 PolarHBondContact O-N 3.12Å; L80-S83 PolarHBondContact O-N 2.66Å; L80-S83 PolarHBondContact O-OG 2.95Å; L80-T84 PolarHBondContact O-N 3Å; L80-T84 PolarHBondContact O-OG1 2.82Å; L80-V108 HydrophobicContact CD1-CG1 4Å; L80-V108 WeakPolarHBondContact CD2-O 3.36Å; L80-V108 HydrophobicContact CG-CG1 4.44Å; L80-R110 HydrophobicContact CD1-CB 3.78Å; L80-R110 HydrophobicContact CD1-CG 3.88Å
81Y94.4Very high86.5Confident144 Ų14495.4 Ų95.457%0.56553%0.533SS*.Hα-helixtrans-59.8-47.4177.1174.8-98.5000111.8V77 L78 S83 T84 R85V77-Y81 WeakPolarHBondContact O-CB 3.34Å; V77-Y81 PolarHBondContact O-N 3.43Å; L78-Y81 PolarHBondContact O-N 3.28Å; Y81-S83 PolarHBondContact O-N 3.1Å; Y81-T84 PolarHBondContact O-N 2.9Å; Y81-T84 VanDerWaalsContact O-N 3.16Å; Y81-R85 WeakPolarHBondContact O-CB 3.33Å; Y81-R85 PolarHBondContact O-N 3.38Å
82N93Very high84.8Confident66 Ų6698.2 Ų98.235%0.35354%0.543SS..Hα-helixtrans-60.8-45.8178.9-71.7-17.5000111.3L78 T84 R85 D86L78-N82 WeakPolarHBondContact O-CB 3.37Å; L78-N82 VanDerWaalsContact O-CG 3.25Å; L78-N82 PolarHBondContact O-N 3.47Å; L78-N82 PolarHBondContact O-ND2 3.44Å; N82-T84 VanDerWaalsContact C-N 3.26Å; N82-T84 PolarHBondContact O-N 2.92Å; N82-R85 PolarHBondContact O-N 2.8Å; N82-D86 WeakPolarHBondContact O-CB 3.3Å; N82-D86 PolarHBondContact O-N 3.12Å
83S90.8Very high83.1Confident50 Ų5095.8 Ų95.835%0.3553%0.534SS..Hα-helixtrans-60.5-34.9176.671.90000113.2A79 L80 Y81 R87A79-S83 WeakPolarHBondContact O-CB 3.49Å; A79-S83 PolarHBondContact O-N 2.99Å; A79-S83 PolarHBondContact O-OG 2.82Å; L80-S83 PolarHBondContact O-N 2.66Å; L80-S83 PolarHBondContact O-OG 2.95Å; Y81-S83 PolarHBondContact O-N 3.1Å; S83-R87 WeakPolarHBondContact O-CD 3.25Å; S83-R87 WeakPolarHBondContact O-CG 3.4Å; S83-R87 PolarHBondContact O-N 2.93Å
84T90.6Very high81.2Confident49 Ų4998.5 Ų98.530%0.30154%0.544SS..Hα-helixtrans-72.8-46.5177.9-55.30000110.8L80 Y81 N82 D86 R87 V88L80-T84 PolarHBondContact O-N 3Å; L80-T84 PolarHBondContact O-OG1 2.82Å; Y81-T84 PolarHBondContact O-N 2.9Å; Y81-T84 VanDerWaalsContact O-N 3.16Å; N82-T84 VanDerWaalsContact C-N 3.26Å; N82-T84 PolarHBondContact O-N 2.92Å; T84-D86 VanDerWaalsContact C-N 3.32Å; T84-D86 PolarHBondContact O-N 3.45Å; T84-R87 PolarHBondContact O-N 3.28Å; T84-V88 WeakPolarHBondContact O-CG2 3.39Å; T84-V88 PolarHBondContact O-N 2.81Å; T84-V88 VanDerWaalsContact O-N 3.11Å
85R89.2Confident79.3Confident128 Ų12899.6 Ų99.648%0.48355%0.551SS.*Hα-helixtrans-60-44.7178-175-165.267.4170.7-2.6111.1Y81 N82 V88 A89Y81-R85 WeakPolarHBondContact O-CB 3.33Å; Y81-R85 PolarHBondContact O-N 3.38Å; N82-R85 PolarHBondContact O-N 2.8Å; R85-V88 PolarHBondContact O-N 3.45Å; R85-A89 VanDerWaalsContact O-CB 3.27Å; R85-A89 WeakPolarHBondContact O-CB 3.25Å; R85-A89 PolarHBondContact O-N 2.81Å
86D87Confident77.5Confident84 Ų8498.9 Ų98.945%0.44955%0.548SS..Hα-helixtrans-70.1-33.2-176.1-61.3-11.6000111.3N82 T84 A89 G90N82-D86 WeakPolarHBondContact O-CB 3.3Å; N82-D86 PolarHBondContact O-N 3.12Å; T84-D86 VanDerWaalsContact C-N 3.32Å; T84-D86 PolarHBondContact O-N 3.45Å; D86-A89 PolarHBondContact O-N 3.25Å; D86-G90 PolarHBondContact O-N 3.49Å
87R80.9Confident75.7Confident207 Ų207102 Ų10278%0.78156%0.563SS**Hα-helixtrans-64.9-37170-74.1172.672.61074.7113.2S83 T84S83-R87 WeakPolarHBondContact O-CD 3.25Å; S83-R87 WeakPolarHBondContact O-CG 3.4Å; S83-R87 PolarHBondContact O-N 2.93Å; T84-R87 PolarHBondContact O-N 3.28Å
88V73.8Confident74.1Confident127 Ų127106.2 Ų106.277%0.7758%0.578SS**Hα-helixtrans-77.1-30.5178.1173.70000111.7T84 R85T84-V88 WeakPolarHBondContact O-CG2 3.39Å; T84-V88 PolarHBondContact O-N 2.81Å; T84-V88 VanDerWaalsContact O-N 3.11Å; R85-V88 PolarHBondContact O-N 3.45Å
89A74.7Confident72.8Confident85 Ų85107.7 Ų107.770%0.70259%0.593SS**Hα-helixtrans-89.1-20.2-178.900000114R85 D86R85-A89 VanDerWaalsContact O-CB 3.27Å; R85-A89 WeakPolarHBondContact O-CB 3.25Å; R85-A89 PolarHBondContact O-N 2.81Å; D86-A89 PolarHBondContact O-N 3.25Å
90G59.4Low71.8Confident36 Ų36115.3 Ų115.337%0.37162%0.623SS.*SBendtrans-95.2144.3-174.700000114.5D86 S92D86-G90 PolarHBondContact O-N 3.49Å; G90-S92 PolarHBondContact O-N 2.9Å
91E52.9Low70.8Confident205 Ų205117.5 Ų117.596%0.95865%0.646SS**SBendtrans-66.630.6-179.9-152.6149.4153.500115.2
92S51.8Low70.4Confident117 Ų117115.5 Ų115.582%0.81865%0.646SS**  trans-104.420.5166.8-83.70000112.4G90 E94G90-S92 PolarHBondContact O-N 2.9Å; S92-E94 PolarHBondContact O-N 3.44Å
93A56.7Low70.3Confident81 Ų81118.4 Ų118.467%0.66965%0.652SS**  trans-71.462.3151.400000108.9P95A93-P95 VanDerWaalsContact O-CD 3.27Å; A93-P95 WeakPolarHBondContact O-CD 3.4Å; A93-P95 VanDerWaalsContact O-N 3.16Å
94E53.1Low70.4Confident163 Ų163121 Ų12176%0.76266%0.655SS**  trans-53.2119.3139.9-90.6-71.3145.700103.4S92 E96S92-E94 PolarHBondContact O-N 3.44Å; E94-E96 PolarHBondContact O-N 3.17Å
95P55Low70.5Confident109 Ų109121.5 Ų121.571%0.70866%0.664SS**  trans-68.980.5176.429.5-31.1000106A93A93-P95 VanDerWaalsContact O-CD 3.27Å; A93-P95 WeakPolarHBondContact O-CD 3.4Å; A93-P95 VanDerWaalsContact O-N 3.16Å
96E56.2Low70.6Confident151 Ų151122.4 Ų122.471%0.70667%0.672SS**  trans-43.1132.7151.3-91.5-76.2148.600105.3E94 E98E94-E96 PolarHBondContact O-N 3.17Å; E96-E98 PolarHBondContact O-N 2.86Å
97P54.8Low70.8Confident120 Ų120126.8 Ų126.878%0.77969%0.689SS**  trans-64.778.7178.726.1-32.4000108.3
98E59.5Low71.3Confident160 Ų160120.7 Ų120.775%0.74868%0.675SS**  trans-70.5126.2178.8-84.5-152.5151.700106.4E96E96-E98 PolarHBondContact O-N 2.86Å
99P67.6Low72.2Confident111 Ų111119.6 Ų119.672%0.72167%0.668SS**  trans-55.5150.8165.826.4-33.2000108.9A101P99-A101 PolarHBondContact O-N 3.31Å
100E72.6Confident72.9Confident192 Ų192121.1 Ų121.190%0.89766%0.656SS**  trans-42.4117.1178.4-64.1179.6-178.900110.6D102E100-D102 PolarHBondContact O-N 3.33Å
101A72.8Confident74.3Confident83 Ų83126 Ų12669%0.68668%0.678SS**  trans-59.6126.9-174.200000110.3P99 Y103P99-A101 PolarHBondContact O-N 3.31Å; A101-Y103 PolarHBondContact O-N 3.34Å
102D85.4Confident76Confident102 Ų102123 Ų12355%0.54567%0.668SS.*  trans-53.5137.4179-64.3-59.7000110.8E100 Y104 K106E100-D102 PolarHBondContact O-N 3.33Å; D102-Y104 PolarHBondContact O-N 3.34Å; D102-Y104 VanDerWaalsContact O-N 3.15Å; D102-K106 WeakPolarHBondContact OD2-CE 3.16Å; D102-K106 IonicContact OD2-NZ 2.77Å; D102-K106 PolarHBondContact OD2-NZ 3.15Å
103Y90.6Very high77.8Confident127 Ų127126.3 Ų126.350%0.49867%0.673SS.*SBendtrans-57.8-33.1-178.7176.4-100.6000112.8S55 K56 A101S55-Y103 PolarHBondContact OG-OH 3.4Å; K56-Y103 WeakPolarHBondContact CG-O 2.95Å; K56-Y103 PolarHBondContact NZ-O 2.94Å; A101-Y103 PolarHBondContact O-N 3.34Å
104Y94.1Very high79.4Confident105 Ų105129.1 Ų129.141%0.41268%0.682SS.*SBendtrans-83.9153.7-176.6-64.4-73.2000113.1S55 R58 D102S55-Y104 WeakPolarHBondContact O-CD1 3.37Å; S55-Y104 WeakPolarHBondContact O-CE1 3.46Å; R58-Y104 HydrophobicContact CG-CD1 3.43Å; R58-Y104 VanDerWaalsContact CG-CD1 3.43Å; R58-Y104 HydrophobicContact CG-CE1 3.56Å; R58-Y104 HydrophobicContact CG-CG 4.33Å; R58-Y104 VanDerWaalsContact NE-CD1 3.28Å; D102-Y104 PolarHBondContact O-N 3.34Å; D102-Y104 VanDerWaalsContact O-N 3.15Å
105A91.7Very high80.9Confident58 Ų58129.7 Ų129.748%0.47968%0.684SS.*  trans-64.1146.1175.100000111.4K56 L57K56-A105 PolarHBondContact O-N 2.95Å; L57-A105 HydrophobicContact CD2-CB 3.8Å
106K92.1Very high82Confident148 Ų148130 Ų13064%0.64369%0.685SS**  trans-109.1140.4173-64.7-174.8179.4-177.30109.6D102D102-K106 WeakPolarHBondContact OD2-CE 3.16Å; D102-K106 IonicContact OD2-NZ 2.77Å; D102-K106 PolarHBondContact OD2-NZ 3.15Å
107E91.2Very high82.3Confident176 Ų176131 Ų13182%0.82269%0.689SS**  trans-72.8133.1170.4-173.3178.5174.500109.3T109E107-T109 HydrophobicContact CG-CG2 4.34Å
108V92.2Very high82.4Confident78 Ų78132.5 Ų132.547%0.47369%0.69SS.*  trans-103.3129178-171.30000108.1L80L80-V108 HydrophobicContact CD1-CG1 4Å; L80-V108 WeakPolarHBondContact CD2-O 3.36Å; L80-V108 HydrophobicContact CG-CG1 4.44Å
109T91.4Very high81.8Confident104 Ų104127.5 Ų127.564%0.63868%0.682SS**  trans-133.4155.8174.256.90000109.4E107E107-T109 HydrophobicContact CG-CG2 4.34Å
110R89Confident80.9Confident117 Ų117131.9 Ų131.944%0.44269%0.692SS.*  trans-126.3141.2176.467.5-179.1-173.7166.25.5110.6L80L80-R110 HydrophobicContact CD1-CB 3.78Å; L80-R110 HydrophobicContact CD1-CG 3.88Å
111V90.4Very high79.6Confident139 Ų139130.7 Ų130.784%0.84269%0.691SS**  trans-118.6127.6174.4-176.20000107.7
112L87.6Confident78Confident141 Ų141130.5 Ų130.574%0.73870%0.697SS**PPolyproline II helixtrans-84.3146.2177.4-58.7177.7000109.8
113M90.3Very high75.6Confident187 Ų187129.3 Ų129.392%0.92171%0.71SS**PPolyproline II helixtrans-71.8153173.7-65.5-178.3174.200110.5
114V90.1Very high73.5Confident141 Ų141128.5 Ų128.586%0.85573%0.729SS**PPolyproline II helixtrans-68.1136.3174.7-179.80000109.2T116V114-T116 PolarHBondContact O-N 3.47Å
115E84Confident71Confident174 Ų174127 Ų12781%0.81375%0.745SS**PPolyproline II helixtrans-70.1124.5-178.9-167.7152.2-159.200111.1H117E115-H117 PolarHBondContact O-N 2.98Å; E115-H117 VanDerWaalsContact O-N 3.15Å
116T77.9Confident68.6Low117 Ų117132.8 Ų132.872%0.71876%0.762SS**  trans-75.6101.7174.2-44.80000108.2V114 N118V114-T116 PolarHBondContact O-N 3.47Å; T116-N118 VanDerWaalsContact C-N 3.34Å; T116-N118 PolarHBondContact O-N 2.93Å
117H63.5Low66.8Low171 Ų171131.5 Ų131.579%0.79277%0.769SS**  trans-67.994.8166.463.6-76.6000108.1E115 G119E115-H117 PolarHBondContact O-N 2.98Å; E115-H117 VanDerWaalsContact O-N 3.15Å; H117-G119 VanDerWaalsContact C-N 3.33Å; H117-G119 PolarHBondContact O-N 3.46Å
118N57.3Low64.3Low152 Ų152126.6 Ų126.681%0.81377%0.766SS**  trans-69.5102.2161.8-83.80000106.3T116 E120T116-N118 VanDerWaalsContact C-N 3.34Å; T116-N118 PolarHBondContact O-N 2.93Å; N118-E120 PolarHBondContact O-N 2.93Å
119G45.9Very low61.8Low55 Ų55126.5 Ų126.557%0.56778%0.78SS**  trans-50.6125.8-17800000111.8H117 L121H117-G119 VanDerWaalsContact C-N 3.33Å; H117-G119 PolarHBondContact O-N 3.46Å; G119-L121 PolarHBondContact O-N 3.47Å
120E49.1Very low59.5Low202 Ų202125.1 Ų125.194%0.94479%0.787SS**  trans-55.899.8159.9-170.214699.500108.7N118N118-E120 PolarHBondContact O-N 2.93Å
121L44.4Very low57.9Low167 Ų167125.6 Ų125.687%0.87481%0.805SS**  trans-115.6115.2164.7-101.3149.2000106.6G119G119-L121 PolarHBondContact O-N 3.47Å
122G40.4Very low56Low79 Ų79125.1 Ų125.181%0.81481%0.805SS**  trans-59.8159.4-164.500000116.1
123G34.5Very low53.8Low78 Ų78122.4 Ų122.480%0.80481%0.811SS**  trans-176.990.116900000110.2
124A46Very low51.5Low109 Ų109117.3 Ų117.390%0.90181%0.806SS**  trans-61.1139.9171.100000111.4
125G41.9Very low49.6Very low73 Ų73115.4 Ų115.475%0.75381%0.805SS**  trans99.6104.2152.600000117.5
126E42Very low47.7Very low180 Ų180110.7 Ų110.784%0.84180%0.803SS**  165.8131.2123.4-94.7-9888.600111.5
127P52.8Low46.6Very low122 Ų122111.5 Ų111.579%0.79281%0.808SS**  trans-90.5101.1169.133.6-25.7000110.1
128G39.3Very low46.2Very low73 Ų73109.4 Ų109.475%0.75381%0.81SS**  trans-117.296.7-175.700000114.6
129G39.9Very low46Very low75 Ų75105.2 Ų105.277%0.77380%0.802SS**  trans64.197.5139.900000119.6
130G42.6Very low46.5Very low75 Ų75108.6 Ų108.677%0.77381%0.814SS**PPolyproline II helixtrans-70143.215400000111.2
131P55.9Low46.8Very low127 Ų127111 Ų11183%0.82582%0.815SS**PPolyproline II helixtrans-77.7144.3171.430.1-31.3000111.3
132P49.7Very low47.7Very low129 Ų129109.9 Ų109.984%0.83882%0.815SS**PPolyproline II helixtrans-78.9140.7179.631.3-33.8000112.8
133G42.3Very low48.3Very low84 Ų84113.1 Ų113.187%0.86685%0.847SS**  trans41113.714300000120.6
134G42.9Very low49Very low80 Ų80114.9 Ų114.983%0.82585%0.85SS**  trans-120.5113.8153.200000109.7
135A48.6Very low49.2Very low101 Ų101115.2 Ų115.284%0.83585%0.847SS**  trans-61.6149.7-175.200000113.5
136G44.2Very low49.6Very low75 Ų75117.5 Ų117.577%0.77385%0.852SS**  trans-65.4152.2178.100000114.4
137V54.9Low50Low135 Ų135113.8 Ų113.882%0.81885%0.853SS**  trans-129.8118.7162.6-177.60000107.5
138P56.3Low49.8Very low126 Ų126113.3 Ų113.382%0.81886%0.857SS**PPolyproline II helixtrans-80121.4173.829.5-30.3000111
139G51.5Low50.5Low64 Ų64116 Ų11666%0.6686%0.863SS**PPolyproline II helixtrans-82.9159.5169.100000112.7
140P58.1Low51.3Low126 Ų126118.9 Ų118.982%0.81887%0.87SS**PPolyproline II helixtrans-79.9143.9-151.631.8-34.7000113.7V142P140-V142 PolarHBondContact O-N 2.96Å
141R55.6Low52Low254 Ų254122.3 Ų122.396%0.95888%0.877SS**PPolyproline II helixtrans-67.5122.5164.7-70.4-175.3-176-1451108.8
142V61.8Low51.6Low143 Ų143121.9 Ų121.987%0.86788%0.882SS**PPolyproline II helixtrans-82.5126.9165.5-158.40000106.9P140P140-V142 PolarHBondContact O-N 2.96Å
143G53.8Low51.8Low146 Ų146121.3 Ų121.3100%1.50589%0.886SS**  trans-76.90177.400000113.6

Retrieved 143 of 143 residues in 49.3 ms (Link to these results)