A0A078BBI5_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 A0A078BBI5, 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
1M55Low62.3Low236 Ų236118.9 Ų118.9100%1.16366%0.663SS**  0103.90-63.1165.410100107
2P53.7Low63.3Low99 Ų99117.3 Ų117.364%0.64365%0.651SS**  trans-72.2141.3-178.629.4-32.3000110S4P2-S4 PolarHBondContact O-N 2.93Å
3P59Low64.5Low93 Ų93116.8 Ų116.860%0.60465%0.646SS**  trans-65.6128.9-175.526.3-33.3000110.7G5 L6P3-G5 PolarHBondContact O-N 3.14Å; P3-L6 HydrophobicContact CG-CD1 4Å; P3-L6 PolarHBondContact O-N 3.01Å
4S62.5Low65.4Low102 Ų102113.2 Ų113.271%0.71363%0.631SS**THydrogen-bonded Turntrans-56.8-11.7-172-48.80000115.5P2P2-S4 PolarHBondContact O-N 2.93Å
5G61.4Low66Low57 Ų57112.8 Ų112.859%0.58863%0.626SS**THydrogen-bonded Turntrans-71.8-30.5177.500000114.5P3 R7P3-G5 PolarHBondContact O-N 3.14Å; G5-R7 VanDerWaalsContact C-N 3.32Å; G5-R7 PolarHBondContact O-N 3.25Å
6L59Low66.6Low121 Ų121112.6 Ų112.663%0.63462%0.622SS**THydrogen-bonded Turntrans-76.9-15.2-178.2-87.2110.4000114P3 L9 P10P3-L6 HydrophobicContact CG-CD1 4Å; P3-L6 PolarHBondContact O-N 3.01Å; L6-L9 WeakPolarHBondContact O-CB 3.41Å; L6-P10 WeakPolarHBondContact O-CD 3.48Å
7R64.3Low67.3Low205 Ų205116.2 Ų116.277%0.77463%0.625SS**THydrogen-bonded Turntrans-80-19.5178-71-155.2165.3174.3-2.8113.9G5 P10G5-R7 VanDerWaalsContact C-N 3.32Å; G5-R7 PolarHBondContact O-N 3.25Å; R7-P10 WeakPolarHBondContact O-CD 3.48Å
8L63.7Low67.7Low97 Ų97115.7 Ų115.751%0.50862%0.621SS.*THydrogen-bonded Turntrans-86.4-20175.1-75.9152.9000112.1L11 L12L8-L11 WeakPolarHBondContact O-CB 2.99Å; L8-L11 PolarHBondContact O-N 3.43Å; L8-L12 HydrophobicContact CB-CD1 4.21Å; L8-L12 WeakPolarHBondContact O-CB 3.42Å; L8-L12 WeakPolarHBondContact O-CG 3.38Å; L8-L12 PolarHBondContact O-N 3.45Å
9L67.7Low67.9Low92 Ų92116.2 Ų116.248%0.48262%0.623SS.*Hα-helixtrans-56.6-44.5179.3-160.7140.5000114.2L6 L11 L12 L13L6-L9 WeakPolarHBondContact O-CB 3.41Å; L9-L11 PolarHBondContact O-N 2.96Å; L9-L12 PolarHBondContact O-N 2.77Å; L9-L13 HydrophobicContact CD2-CD1 3.74Å; L9-L13 HydrophobicContact CG-CD1 4.48Å; L9-L13 PolarHBondContact O-N 3.39Å; L9-L13 VanDerWaalsContact O-N 3.11Å
10P69.4Low68.2Low87 Ų87115.8 Ų115.857%0.56563%0.625SS**Hα-helixtrans-71.7-13.1175.529.3-36.7000114L6 R7 P14L6-P10 WeakPolarHBondContact O-CD 3.48Å; R7-P10 WeakPolarHBondContact O-CD 3.48Å; P10-P14 WeakPolarHBondContact O-CD 3.44Å; P10-P14 VanDerWaalsContact O-CG 3.25Å; P10-P14 WeakPolarHBondContact O-CG 3.34Å
11L69.9Low68.3Low119 Ų119115 Ų11562%0.62362%0.62SS**Hα-helixtrans-92.6-33.8174.5-166.382000111.5L8 L9 P14 L15L8-L11 WeakPolarHBondContact O-CB 2.99Å; L8-L11 PolarHBondContact O-N 3.43Å; L9-L11 PolarHBondContact O-N 2.96Å; L11-P14 WeakPolarHBondContact O-CD 3.35Å; L11-P14 WeakPolarHBondContact O-CG 3.46Å; L11-L15 WeakPolarHBondContact O-CB 3.49Å; L11-L15 PolarHBondContact O-N 3.17Å
12L74.4Confident69Low99 Ų99106.9 Ų106.952%0.51858%0.583SS.*Hα-helixtrans-71.8-36.9177.6-75.6166.2000112.2L8 L9 L15 L16L8-L12 HydrophobicContact CB-CD1 4.21Å; L8-L12 WeakPolarHBondContact O-CB 3.42Å; L8-L12 WeakPolarHBondContact O-CG 3.38Å; L8-L12 PolarHBondContact O-N 3.45Å; L9-L12 PolarHBondContact O-N 2.77Å; L12-L15 PolarHBondContact O-N 3.1Å; L12-L16 VanDerWaalsContact O-CB 3.28Å; L12-L16 WeakPolarHBondContact O-CB 3.34Å; L12-L16 PolarHBondContact O-N 3.28Å
13L78Confident69.3Low112 Ų112107.9 Ų107.959%0.58659%0.59SS**Hα-helixtrans-59.1-50.9178-118.1122.4000113.8L9 L15 L16 W17L9-L13 HydrophobicContact CD2-CD1 3.74Å; L9-L13 HydrophobicContact CG-CD1 4.48Å; L9-L13 PolarHBondContact O-N 3.39Å; L9-L13 VanDerWaalsContact O-N 3.11Å; L13-L15 VanDerWaalsContact C-N 3.34Å; L13-L16 PolarHBondContact O-N 3.03Å; L13-W17 VanDerWaalsContact O-CB 3.32Å; L13-W17 WeakPolarHBondContact O-CB 3.41Å; L13-W17 PolarHBondContact O-N 3.17Å
14P76.9Confident69.5Low66 Ų66106 Ų10643%0.42959%0.587SS.*Hα-helixtrans-69.9-30.2176.626.5-34000112.3P10 L11 W17 L18P10-P14 WeakPolarHBondContact O-CD 3.44Å; P10-P14 VanDerWaalsContact O-CG 3.25Å; P10-P14 WeakPolarHBondContact O-CG 3.34Å; L11-P14 WeakPolarHBondContact O-CD 3.35Å; L11-P14 WeakPolarHBondContact O-CG 3.46Å; P14-W17 PolarHBondContact O-N 2.85Å; P14-L18 WeakPolarHBondContact O-CB 3.43Å; P14-L18 PolarHBondContact O-N 2.94Å
15L74.4Confident69.6Low107 Ų107106.9 Ų106.956%0.5659%0.59SS**Hα-helixtrans-68.2-41.5175.4-173.466.7000111.7L11 L12 L13 L18 L19L11-L15 WeakPolarHBondContact O-CB 3.49Å; L11-L15 PolarHBondContact O-N 3.17Å; L12-L15 PolarHBondContact O-N 3.1Å; L13-L15 VanDerWaalsContact C-N 3.34Å; L15-L18 PolarHBondContact O-N 3.18Å; L15-L19 WeakPolarHBondContact O-CB 3.33Å; L15-L19 PolarHBondContact O-N 2.74Å
16L76.2Confident69.3Low109 Ų109109.8 Ų109.857%0.57160%0.599SS**Hα-helixtrans-68-41.2174.6-17565.8000110.9L12 L13 L18 L19 V20L12-L16 VanDerWaalsContact O-CB 3.28Å; L12-L16 WeakPolarHBondContact O-CB 3.34Å; L12-L16 PolarHBondContact O-N 3.28Å; L13-L16 PolarHBondContact O-N 3.03Å; L16-L18 VanDerWaalsContact C-N 3.34Å; L16-L19 PolarHBondContact O-N 3.38Å; L16-V20 VanDerWaalsContact O-CG2 3.27Å; L16-V20 WeakPolarHBondContact O-CG2 3.36Å; L16-V20 PolarHBondContact O-N 2.91Å
17W78.1Confident69.4Low174 Ų174108.7 Ų108.766%0.65961%0.608SS**Hα-helixtrans-63.8-41.1175.4-167.546.6000111.5L13 P14 V20 L21L13-W17 VanDerWaalsContact O-CB 3.32Å; L13-W17 WeakPolarHBondContact O-CB 3.41Å; L13-W17 PolarHBondContact O-N 3.17Å; P14-W17 PolarHBondContact O-N 2.85Å; W17-V20 PolarHBondContact O-N 3.2Å; W17-L21 HydrophobicContact CD2-CD2 4.5Å; W17-L21 HydrophobicContact CG-CD1 4.45Å; W17-L21 HydrophobicContact CZ2-CD2 4.01Å; W17-L21 WeakPolarHBondContact O-CB 3.46Å; W17-L21 PolarHBondContact O-N 2.99Å
18L75.3Confident69Low107 Ų107103 Ų10356%0.5660%0.604SS**Hα-helixtrans-62.8-42.2173.5-172.966.7000111.2P14 L15 L16 V20 L21 T22P14-L18 WeakPolarHBondContact O-CB 3.43Å; P14-L18 PolarHBondContact O-N 2.94Å; L15-L18 PolarHBondContact O-N 3.18Å; L16-L18 VanDerWaalsContact C-N 3.34Å; L18-V20 VanDerWaalsContact C-N 3.32Å; L18-V20 PolarHBondContact O-N 3.46Å; L18-L21 CarbonylContact O-C 3.59Å; L18-L21 PolarHBondContact O-N 3Å; L18-T22 HydrophobicContact CD1-CG2 4.48Å; L18-T22 HydrophobicContact CG-CG2 4.4Å; L18-T22 WeakPolarHBondContact O-CB 3.23Å; L18-T22 VanDerWaalsContact O-CG2 3.29Å; L18-T22 WeakPolarHBondContact O-CG2 3.48Å; L18-T22 PolarHBondContact O-N 3.35Å; L18-T22 PolarHBondContact O-OG1 3Å
19L71.7Confident68.5Low125 Ų125101.3 Ų101.365%0.65461%0.61SS**Hα-helixtrans-64.6-35.3177.2-170.665.9000112.6L15 L16 T22L15-L19 WeakPolarHBondContact O-CB 3.33Å; L15-L19 PolarHBondContact O-N 2.74Å; L16-L19 PolarHBondContact O-N 3.38Å; L19-T22 WeakPolarHBondContact CA-OG1 3.21Å; L19-T22 PolarHBondContact O-OG1 3.35Å
20V73Confident68Low109 Ų109105.3 Ų105.366%0.66163%0.631SS**Hα-helixtrans-75.5-35175.6171.90000111.8L16 W17 L18L16-V20 VanDerWaalsContact O-CG2 3.27Å; L16-V20 WeakPolarHBondContact O-CG2 3.36Å; L16-V20 PolarHBondContact O-N 2.91Å; W17-V20 PolarHBondContact O-N 3.2Å; L18-V20 VanDerWaalsContact C-N 3.32Å; L18-V20 PolarHBondContact O-N 3.46Å
21L70.4Confident67Low100 Ų100105 Ų10552%0.52463%0.631SS.*Hα-helixtrans-84.4-19178.3-102.465.4000113.6W17 L18 P23W17-L21 HydrophobicContact CD2-CD2 4.5Å; W17-L21 HydrophobicContact CG-CD1 4.45Å; W17-L21 HydrophobicContact CZ2-CD2 4.01Å; W17-L21 WeakPolarHBondContact O-CB 3.46Å; W17-L21 PolarHBondContact O-N 2.99Å; L18-L21 CarbonylContact O-C 3.59Å; L18-L21 PolarHBondContact O-N 3Å; L21-P23 WeakPolarHBondContact O-CD 3.37Å
22T69.1Low66.3Low64 Ų64106.1 Ų106.139%0.39364%0.643SS.*SBendtrans-70.1112.1171.9410000108L18 L19 G24L18-T22 HydrophobicContact CD1-CG2 4.48Å; L18-T22 HydrophobicContact CG-CG2 4.4Å; L18-T22 WeakPolarHBondContact O-CB 3.23Å; L18-T22 VanDerWaalsContact O-CG2 3.29Å; L18-T22 WeakPolarHBondContact O-CG2 3.48Å; L18-T22 PolarHBondContact O-N 3.35Å; L18-T22 PolarHBondContact O-OG1 3Å; L19-T22 WeakPolarHBondContact CA-OG1 3.21Å; L19-T22 PolarHBondContact O-OG1 3.35Å; T22-G24 PolarHBondContact O-N 2.89Å
23P60.3Low65.5Low120 Ų120105.9 Ų105.978%0.77965%0.649SS**  trans-57.6113.5162.424.9-30.7000105.6L21L21-P23 WeakPolarHBondContact O-CD 3.37Å
24G64.3Low64.5Low53 Ų53109.3 Ų109.355%0.54666%0.659SS.*PPolyproline II helixtrans-50.2146.7172.900000108.5T22 P26T22-G24 PolarHBondContact O-N 2.89Å; G24-P26 VanDerWaalsContact O-N 3.11Å
25P64.8Low63.7Low121 Ų121112.9 Ų112.979%0.78668%0.68SS**PPolyproline II helixtrans-48.2130173.620.4-30.3000106.7A27P25-A27 PolarHBondContact O-N 3.33Å
26P54.8Low63.3Low119 Ų119112.9 Ų112.977%0.77368%0.679SS**PPolyproline II helixtrans-51.7120.5177.522.3-31.3000104.7G24 A28G24-P26 VanDerWaalsContact O-N 3.11Å; P26-A28 PolarHBondContact O-N 3.34Å
27A61Low63.7Low98 Ų98111.7 Ų111.781%0.8167%0.673SS**  trans-5989.9162.500000103P25 G29P25-A27 PolarHBondContact O-N 3.33Å; A27-G29 PolarHBondContact O-N 3.09Å
28A56.3Low64.2Low85 Ų85107.8 Ų107.870%0.70266%0.663SS**  trans-54104169.900000101.6P26 L30P26-A28 PolarHBondContact O-N 3.34Å; A28-L30 PolarHBondContact O-N 2.83Å
29G51.8Low64.9Low61 Ų61107 Ų10763%0.62966%0.657SS**  trans-46.5134.5-171.200000106.6A27 S31A27-G29 PolarHBondContact O-N 3.09Å; G29-S31 PolarHBondContact O-N 3.48Å
30L57Low65.8Low177 Ų177105.4 Ų105.493%0.92765%0.648SS**  trans-65.956.8167-62.2172000108A28 T32A28-L30 PolarHBondContact O-N 2.83Å; L30-T32 VanDerWaalsContact C-N 3.31Å; L30-T32 PolarHBondContact O-N 2.91Å; L30-T32 VanDerWaalsContact O-N 3.13Å
31S48.5Very low66.7Low81 Ų81103.1 Ų103.157%0.56664%0.635SS**  trans-72.6100.5161.8-171.10000103.3G29 C33G29-S31 PolarHBondContact O-N 3.48Å; S31-C33 PolarHBondContact O-N 3.16Å; S31-C33 WeakPolarHBondContact OG-CB 3.31Å; S31-C33 PolarHBondContact OG-SG 2.95Å
32T56.8Low67.9Low141 Ų141103.7 Ų103.787%0.86563%0.633SS**  trans-59.515.9166.452.20000112.6L30 K34L30-T32 VanDerWaalsContact C-N 3.31Å; L30-T32 PolarHBondContact O-N 2.91Å; L30-T32 VanDerWaalsContact O-N 3.13Å; T32-K34 VanDerWaalsContact C-N 3.34Å; T32-K34 PolarHBondContact O-N 3.32Å; T32-K34 VanDerWaalsContact O-N 3.08Å
33C56.3Low69.1Low95 Ų95108.4 Ų108.464%0.64264%0.644SS**  trans-79.684.7168.8-620000108.8S31 T35S31-C33 PolarHBondContact O-N 3.16Å; S31-C33 WeakPolarHBondContact OG-CB 3.31Å; S31-C33 PolarHBondContact OG-SG 2.95Å; C33-T35 PolarHBondContact O-N 3.23Å; C33-T35 VanDerWaalsContact O-N 3.15Å
34K57.1Low70.9Confident184 Ų184110.4 Ų110.480%0.864%0.64SS**  trans-42.1123.4157-174.8163.8178.164.60107.7T32 I36T32-K34 VanDerWaalsContact C-N 3.34Å; T32-K34 PolarHBondContact O-N 3.32Å; T32-K34 VanDerWaalsContact O-N 3.08Å; K34-I36 PolarHBondContact O-N 3.49Å
35T61Low72.4Confident141 Ų141116 Ų11687%0.86565%0.645SS**  trans-61.589168.545.20000107.2C33 D37C33-T35 PolarHBondContact O-N 3.23Å; C33-T35 VanDerWaalsContact O-N 3.15Å; T35-D37 PolarHBondContact O-N 2.65Å
36I65.4Low74Confident107 Ų107115.7 Ų115.755%0.54964%0.635SS.*  trans-75.9117.5179.5-176.7165.9000106.7K34 M38 V41K34-I36 PolarHBondContact O-N 3.49Å; I36-M38 HydrophobicContact CB-CE 3.97Å; I36-M38 HydrophobicContact CD1-CE 3.94Å; I36-M38 HydrophobicContact CG1-CE 3.6Å; I36-M38 HydrophobicContact CG2-CE 3.36Å; I36-M38 PolarHBondContact O-N 3.43Å; I36-V41 HydrophobicContact CD1-CG2 3.53Å; I36-V41 HydrophobicContact CG1-CG2 3.71Å
37D84.1Confident76Confident83 Ų83115.2 Ų115.244%0.44462%0.623SS.*  trans-66.1101.7175-174.7-9.4000108.4T35 E39 L40 V41T35-D37 PolarHBondContact O-N 2.65Å; D37-E39 PolarHBondContact O-N 2.85Å; D37-E39 VanDerWaalsContact OD1-CB 3.25Å; D37-E39 WeakPolarHBondContact OD1-CB 3.42Å; D37-E39 PolarHBondContact OD1-N 3.21Å; D37-L40 HydrophobicContact CB-CB 4.2Å; D37-L40 HydrophobicContact CB-CD1 3.93Å; D37-L40 HydrophobicContact CB-CG 3.95Å; D37-L40 WeakPolarHBondContact O-CB 3.42Å; D37-L40 PolarHBondContact O-N 3.42Å; D37-L40 WeakPolarHBondContact OD2-CG 3.35Å; D37-V41 PolarHBondContact O-N 3.25Å; D37-V41 VanDerWaalsContact O-N 3.17Å
38M90.1Very high77.8Confident93 Ų93113.7 Ų113.746%0.45861%0.61SS.*Hα-helixtrans-60.1-26.2178.6-70-67.985.600111.8I36 V41 K42I36-M38 HydrophobicContact CB-CE 3.97Å; I36-M38 HydrophobicContact CD1-CE 3.94Å; I36-M38 HydrophobicContact CG1-CE 3.6Å; I36-M38 HydrophobicContact CG2-CE 3.36Å; I36-M38 PolarHBondContact O-N 3.43Å; M38-V41 HydrophobicContact CE-CB 4.14Å; M38-V41 HydrophobicContact CE-CG2 3.78Å; M38-V41 PolarHBondContact O-N 3.48Å; M38-K42 WeakPolarHBondContact O-CB 3.48Å; M38-K42 WeakPolarHBondContact O-CG 3.46Å; M38-K42 PolarHBondContact O-N 3.05Å
39E89.4Confident79.7Confident89 Ų89112.1 Ų112.142%0.41659%0.589SS.*Hα-helixtrans-67.9-38.7175-64-59116.100110.9D37 K42 R43D37-E39 PolarHBondContact O-N 2.85Å; D37-E39 VanDerWaalsContact OD1-CB 3.25Å; D37-E39 WeakPolarHBondContact OD1-CB 3.42Å; D37-E39 PolarHBondContact OD1-N 3.21Å; E39-K42 PolarHBondContact O-N 3.3Å; E39-K42 IonicContact OE1-NZ 3.64Å; E39-K42 PolarHBondContact OE1-NZ 3.36Å; E39-R43 WeakPolarHBondContact O-CB 3.5Å; E39-R43 WeakPolarHBondContact O-CG 3.4Å; E39-R43 PolarHBondContact O-N 3.04Å
40L89.4Confident81.9Confident92 Ų92115.6 Ų115.648%0.48258%0.583SS.*Hα-helixtrans-66.5-39173.6-67.2179.5000112.3D37 R43 K44D37-L40 HydrophobicContact CB-CB 4.2Å; D37-L40 HydrophobicContact CB-CD1 3.93Å; D37-L40 HydrophobicContact CB-CG 3.95Å; D37-L40 WeakPolarHBondContact O-CB 3.42Å; D37-L40 PolarHBondContact O-N 3.42Å; D37-L40 WeakPolarHBondContact OD2-CG 3.35Å; L40-R43 PolarHBondContact O-N 2.87Å; L40-K44 WeakPolarHBondContact O-CG 3.47Å; L40-K44 PolarHBondContact O-N 3.45Å
41V93.5Very high83.8Confident62 Ų62109 Ų10938%0.37656%0.558SS.*Hα-helixtrans-65.4-45.3176.3175.20000111.1I36 D37 M38 R43 K44 R45I36-V41 HydrophobicContact CD1-CG2 3.53Å; I36-V41 HydrophobicContact CG1-CG2 3.71Å; D37-V41 PolarHBondContact O-N 3.25Å; D37-V41 VanDerWaalsContact O-N 3.17Å; M38-V41 HydrophobicContact CE-CB 4.14Å; M38-V41 HydrophobicContact CE-CG2 3.78Å; M38-V41 PolarHBondContact O-N 3.48Å; V41-R43 PolarHBondContact O-N 3.16Å; V41-K44 PolarHBondContact O-N 2.87Å; V41-R45 WeakPolarHBondContact O-CB 3.43Å; V41-R45 PolarHBondContact O-N 3.18Å
42K94.6Very high86.1Confident111 Ų111109.6 Ų109.648%0.48355%0.552SS.*Hα-helixtrans-59.2-46.4175.5-72.3171-169.3169.70111.1M38 E39 K44 R45 I46M38-K42 WeakPolarHBondContact O-CB 3.48Å; M38-K42 WeakPolarHBondContact O-CG 3.46Å; M38-K42 PolarHBondContact O-N 3.05Å; E39-K42 PolarHBondContact O-N 3.3Å; E39-K42 IonicContact OE1-NZ 3.64Å; E39-K42 PolarHBondContact OE1-NZ 3.36Å; K42-K44 PolarHBondContact O-N 2.79Å; K42-R45 PolarHBondContact O-N 2.97Å; K42-I46 VanDerWaalsContact O-CG1 3.25Å; K42-I46 WeakPolarHBondContact O-CG1 3.26Å; K42-I46 PolarHBondContact O-N 2.88Å
43R95.1Very high88Confident164 Ų164107.2 Ų107.262%0.61953%0.533SS*.Hα-helixtrans-59.2-46.3177.2-73.4173.1-168.7-164.24.4112.2E39 L40 V41 R45 I46 E47E39-R43 WeakPolarHBondContact O-CB 3.5Å; E39-R43 WeakPolarHBondContact O-CG 3.4Å; E39-R43 PolarHBondContact O-N 3.04Å; L40-R43 PolarHBondContact O-N 2.87Å; V41-R43 PolarHBondContact O-N 3.16Å; R43-R45 VanDerWaalsContact C-N 3.32Å; R43-R45 PolarHBondContact O-N 3.43Å; R43-I46 PolarHBondContact O-N 2.88Å; R43-E47 PolarHBondContact O-N 3.49Å; R43-E47 VanDerWaalsContact O-N 3.11Å
44K96.8Very high89.9Confident161 Ų161104.1 Ų104.170%0.751%0.51SS*.Hα-helixtrans-61.5-40.9175.5-74.9-177.7177-174.70112L40 V41 K42 E47 A48L40-K44 WeakPolarHBondContact O-CG 3.47Å; L40-K44 PolarHBondContact O-N 3.45Å; V41-K44 PolarHBondContact O-N 2.87Å; K42-K44 PolarHBondContact O-N 2.79Å; K44-E47 PolarHBondContact O-N 2.93Å; K44-A48 WeakPolarHBondContact O-CB 3.24Å; K44-A48 PolarHBondContact O-N 3.42Å
45R97.5Very high91.8Very high172 Ų17297.3 Ų97.365%0.64949%0.485SS*.Hα-helixtrans-66-39.3177.3-171.1174.6-174.4-91.2-0.3111.9V41 K42 R43 A48 I49V41-R45 WeakPolarHBondContact O-CB 3.43Å; V41-R45 PolarHBondContact O-N 3.18Å; K42-R45 PolarHBondContact O-N 2.97Å; R43-R45 VanDerWaalsContact C-N 3.32Å; R43-R45 PolarHBondContact O-N 3.43Å; R45-A48 PolarHBondContact O-N 3.21Å; R45-I49 HydrophobicContact CG-CD1 3.81Å; R45-I49 HydrophobicContact CG-CG1 4.37Å; R45-I49 WeakPolarHBondContact O-CB 3.44Å; R45-I49 VanDerWaalsContact O-CG1 3.24Å; R45-I49 WeakPolarHBondContact O-CG1 3.4Å; R45-I49 PolarHBondContact O-N 3.19Å
46I97.3Very high93.5Very high113 Ų11394.1 Ų94.158%0.57946%0.459SS*.Hα-helixtrans-60.2-47.8175.6-70.6162.4000110.3K42 R43 A48 I49 R50K42-I46 VanDerWaalsContact O-CG1 3.25Å; K42-I46 WeakPolarHBondContact O-CG1 3.26Å; K42-I46 PolarHBondContact O-N 2.88Å; R43-I46 PolarHBondContact O-N 2.88Å; I46-A48 PolarHBondContact O-N 3.47Å; I46-I49 PolarHBondContact O-N 3.24Å; I46-R50 WeakPolarHBondContact O-CB 3.39Å; I46-R50 PolarHBondContact O-N 2.86Å
47E97.3Very high95Very high110 Ų11093.3 Ų93.351%0.51446%0.456SS..Hα-helixtrans-66.4-38.5-179.9-165.658.7-147.200112R43 K44 R50 G51R43-E47 PolarHBondContact O-N 3.49Å; R43-E47 VanDerWaalsContact O-N 3.11Å; K44-E47 PolarHBondContact O-N 2.93Å; E47-R50 WeakPolarHBondContact O-CB 3.41Å; E47-R50 PolarHBondContact O-N 3.2Å; E47-R50 IonicContact OE1-NH1 3.8Å; E47-R50 IonicContact OE2-NH1 2.77Å; E47-G51 PolarHBondContact O-N 3.31Å; E47-G51 VanDerWaalsContact O-N 3.12Å
48A97.5Very high95.5Very high65 Ų6598 Ų9854%0.53747%0.467SS..Hα-helixtrans-62.6-44.9174.300000112.1K44 R45 I46 R50 G51 Q52K44-A48 WeakPolarHBondContact O-CB 3.24Å; K44-A48 PolarHBondContact O-N 3.42Å; R45-A48 PolarHBondContact O-N 3.21Å; I46-A48 PolarHBondContact O-N 3.47Å; A48-R50 VanDerWaalsContact C-N 3.33Å; A48-R50 PolarHBondContact O-N 2.87Å; A48-G51 PolarHBondContact O-N 3.08Å; A48-Q52 WeakPolarHBondContact O-CB 3.22Å; A48-Q52 PolarHBondContact O-N 3.35Å
49I97.8Very high95.7Very high52 Ų5296.7 Ų96.727%0.26746%0.462SS..Hα-helixtrans-65.7-38.1177.9-71170.4000110.8R45 I46 G51 Q52 I53R45-I49 HydrophobicContact CG-CD1 3.81Å; R45-I49 HydrophobicContact CG-CG1 4.37Å; R45-I49 WeakPolarHBondContact O-CB 3.44Å; R45-I49 VanDerWaalsContact O-CG1 3.24Å; R45-I49 WeakPolarHBondContact O-CG1 3.4Å; R45-I49 PolarHBondContact O-N 3.19Å; I46-I49 PolarHBondContact O-N 3.24Å; I49-G51 VanDerWaalsContact C-N 3.35Å; I49-G51 PolarHBondContact O-N 3.31Å; I49-Q52 WeakPolarHBondContact O-CB 3.25Å; I49-Q52 PolarHBondContact O-N 3.12Å; I49-I53 HydrophobicContact CG2-CD1 3.7Å; I49-I53 HydrophobicContact CG2-CG1 4.18Å; I49-I53 WeakPolarHBondContact O-CG1 3.42Å; I49-I53 PolarHBondContact O-N 3.47Å
50R97Very high95.9Very high135 Ų13597.6 Ų97.651%0.50949%0.485SS..Hα-helixtrans-57.4-49.2175.4-175.4-173.3-177.6-167.91.8111.1I46 E47 A48 Q52 I53 L54I46-R50 WeakPolarHBondContact O-CB 3.39Å; I46-R50 PolarHBondContact O-N 2.86Å; E47-R50 WeakPolarHBondContact O-CB 3.41Å; E47-R50 PolarHBondContact O-N 3.2Å; E47-R50 IonicContact OE1-NH1 3.8Å; E47-R50 IonicContact OE2-NH1 2.77Å; A48-R50 VanDerWaalsContact C-N 3.33Å; A48-R50 PolarHBondContact O-N 2.87Å; R50-Q52 VanDerWaalsContact C-N 3.34Å; R50-I53 PolarHBondContact O-N 2.9Å; R50-L54 WeakPolarHBondContact O-CG 3.2Å; R50-L54 PolarHBondContact O-N 3.31Å
51G96.4Very high96.1Very high39 Ų3996.9 Ų96.940%0.40249%0.487SS..Hα-helixtrans-62.1-41.2175.400000112.4E47 A48 I49 L54 S55E47-G51 PolarHBondContact O-N 3.31Å; E47-G51 VanDerWaalsContact O-N 3.12Å; A48-G51 PolarHBondContact O-N 3.08Å; I49-G51 VanDerWaalsContact C-N 3.35Å; I49-G51 PolarHBondContact O-N 3.31Å; G51-L54 PolarHBondContact O-N 2.84Å; G51-S55 WeakPolarHBondContact O-CB 3.42Å; G51-S55 PolarHBondContact O-N 3.49Å; G51-S55 PolarHBondContact O-OG 3.36Å
52Q97Very high96.1Very high93 Ų9397.9 Ų97.944%0.43550%0.495SS..Hα-helixtrans-63.8-41.7178.9-173.5-178.81.600113.1A48 I49 R50 S55 K56A48-Q52 WeakPolarHBondContact O-CB 3.22Å; A48-Q52 PolarHBondContact O-N 3.35Å; I49-Q52 WeakPolarHBondContact O-CB 3.25Å; I49-Q52 PolarHBondContact O-N 3.12Å; R50-Q52 VanDerWaalsContact C-N 3.34Å; Q52-S55 WeakPolarHBondContact CA-OG 3.47Å; Q52-S55 PolarHBondContact O-OG 2.88Å; Q52-K56 HydrophobicContact CG-CD 4.36Å; Q52-K56 VanDerWaalsContact O-CB 3.31Å; Q52-K56 WeakPolarHBondContact O-CB 3.25Å; Q52-K56 VanDerWaalsContact O-CG 3.23Å; Q52-K56 WeakPolarHBondContact O-CG 3.39Å; Q52-K56 PolarHBondContact O-N 2.89Å
53I97Very high96Very high91 Ų9197 Ų9747%0.46750%0.501SS..Hα-helixtrans-65.3-47.3177.9-68.6167.9000109.8I49 R50 S55 K56 L57I49-I53 HydrophobicContact CG2-CD1 3.7Å; I49-I53 HydrophobicContact CG2-CG1 4.18Å; I49-I53 WeakPolarHBondContact O-CG1 3.42Å; I49-I53 PolarHBondContact O-N 3.47Å; R50-I53 PolarHBondContact O-N 2.9Å; I53-S55 PolarHBondContact O-N 3.41Å; I53-K56 PolarHBondContact O-N 3.43Å; I53-L57 HydrophobicContact CG2-CD1 3.9Å; I53-L57 WeakPolarHBondContact O-CB 3.37Å; I53-L57 WeakPolarHBondContact O-CG 3.41Å; I53-L57 PolarHBondContact O-N 3.11Å
54L97.3Very high95.8Very high30 Ų3094 Ų9416%0.15751%0.505CS..Hα-helixtrans-63.4-42179.7-70.9178000112.1R50 G51 L57 R58 L59R50-L54 WeakPolarHBondContact O-CG 3.2Å; R50-L54 PolarHBondContact O-N 3.31Å; G51-L54 PolarHBondContact O-N 2.84Å; L54-L57 CarbonylContact O-C 3.59Å; L54-L57 PolarHBondContact O-N 3.28Å; L54-R58 PolarHBondContact O-N 2.9Å; L54-L59 WeakPolarHBondContact CB-O 3.03Å; L54-L59 HydrophobicContact CD2-CB 3.99Å; L54-L59 PolarHBondContact O-N 3.45Å
55S96.6Very high95.3Very high41 Ų4194.2 Ų94.229%0.28751%0.508SS..Hα-helixtrans-66-41176.767.20000112.2G51 Q52 I53 L57 R58 Y103 Y104G51-S55 WeakPolarHBondContact O-CB 3.42Å; G51-S55 PolarHBondContact O-N 3.49Å; G51-S55 PolarHBondContact O-OG 3.36Å; Q52-S55 WeakPolarHBondContact CA-OG 3.47Å; Q52-S55 PolarHBondContact O-OG 2.88Å; I53-S55 PolarHBondContact O-N 3.41Å; S55-L57 VanDerWaalsContact C-N 3.32Å; S55-L57 PolarHBondContact O-N 3.02Å; S55-R58 PolarHBondContact O-N 3.48Å; S55-Y103 PolarHBondContact OG-OH 2.86Å; S55-Y104 WeakPolarHBondContact O-CD1 3.47Å; S55-Y104 WeakPolarHBondContact O-CE1 3.49Å
56K96.8Very high94.5Very high73 Ų7389.8 Ų89.832%0.31752%0.516SS..Hα-helixtrans-62.2-38.6175.4-78.8-174.1164.8-73.40112.4Q52 I53 R58 Y103 A105Q52-K56 HydrophobicContact CG-CD 4.36Å; Q52-K56 VanDerWaalsContact O-CB 3.31Å; Q52-K56 WeakPolarHBondContact O-CB 3.25Å; Q52-K56 VanDerWaalsContact O-CG 3.23Å; Q52-K56 WeakPolarHBondContact O-CG 3.39Å; Q52-K56 PolarHBondContact O-N 2.89Å; I53-K56 PolarHBondContact O-N 3.43Å; K56-R58 VanDerWaalsContact C-N 3.32Å; K56-Y103 WeakPolarHBondContact CG-O 3.44Å; K56-Y103 PolarHBondContact NZ-O 3.4Å; K56-A105 PolarHBondContact O-N 3.39Å
57L96Very high93.7Very high91 Ų9193 Ų9348%0.47653%0.529SS..THydrogen-bonded Turntrans-84-3.6178-64.4176.1000113.7I53 L54 S55 L59 A105I53-L57 HydrophobicContact CG2-CD1 3.9Å; I53-L57 WeakPolarHBondContact O-CB 3.37Å; I53-L57 WeakPolarHBondContact O-CG 3.41Å; I53-L57 PolarHBondContact O-N 3.11Å; L54-L57 CarbonylContact O-C 3.59Å; L54-L57 PolarHBondContact O-N 3.28Å; S55-L57 VanDerWaalsContact C-N 3.32Å; S55-L57 PolarHBondContact O-N 3.02Å; L57-L59 VanDerWaalsContact C-N 3.26Å; L57-L59 HydrophobicContact CB-CD1 3.93Å; L57-L59 HydrophobicContact CB-CG 3.92Å; L57-L59 HydrophobicContact CD1-CD1 4.18Å; L57-L59 PolarHBondContact O-N 2.84Å; L57-A105 HydrophobicContact CD2-CB 3.82Å
58R95.5Very high93.2Very high180 Ų18092.6 Ų92.668%0.67953%0.533SS*.THydrogen-bonded Turntrans57.836-174.3-56.8179.9172.2173.6-2.2113.3L54 S55 K56 Y104L54-R58 PolarHBondContact O-N 2.9Å; S55-R58 PolarHBondContact O-N 3.48Å; K56-R58 VanDerWaalsContact C-N 3.32Å; R58-Y104 HydrophobicContact CG-CD1 3.42Å; R58-Y104 VanDerWaalsContact CG-CD1 3.42Å; R58-Y104 HydrophobicContact CG-CE1 3.56Å; R58-Y104 HydrophobicContact CG-CG 4.32Å; R58-Y104 VanDerWaalsContact NE-CD1 3.28Å
59L94.8Very high92.7Very high67 Ų6794.5 Ų94.535%0.35154%0.541SS..  trans-107136.8178.4-62.1177.5000110.4L54 L57L54-L59 WeakPolarHBondContact CB-O 3.03Å; L54-L59 HydrophobicContact CD2-CB 3.99Å; L54-L59 PolarHBondContact O-N 3.45Å; L57-L59 VanDerWaalsContact C-N 3.26Å; L57-L59 HydrophobicContact CB-CD1 3.93Å; L57-L59 HydrophobicContact CB-CG 3.92Å; L57-L59 HydrophobicContact CD1-CD1 4.18Å; L57-L59 PolarHBondContact O-N 2.84Å
60A93.6Very high92.2Very high108 Ų10898.5 Ų98.589%0.89357%0.57SS**SBendtrans-79.2-30.3173.200000112.2
61S93.4Very high91.8Very high77 Ų7794.8 Ų94.854%0.53857%0.574SS.*SBendtrans-147.4160.5179.859.50000110.4
62P93.4Very high91.5Very high82 Ų8299.2 Ų99.253%0.53260%0.595SS.*PPolyproline II helixtrans-56138.6172.7-23.634.2000111.5
63P91.9Very high91.3Very high93 Ų9399.9 Ų99.960%0.60460%0.601SS**PPolyproline II helixtrans-71.5153.2177.930.1-33000110.9
64S90.6Very high91.2Very high101 Ų10199.7 Ų99.771%0.70661%0.606SS**PPolyproline II helixtrans-67.7132.2175.351.10000111G66S64-G66 VanDerWaalsContact C-N 3.33Å
65Q87.2Confident91Very high165 Ų165106.3 Ų106.377%0.77164%0.636SS**  trans-883177.9-65.4-174.6-11.500113.8E67 V68Q65-E67 PolarHBondContact O-N 3.18Å; Q65-V68 HydrophobicContact CB-CG2 4.43Å; Q65-V68 WeakPolarHBondContact O-CB 3.43Å; Q65-V68 PolarHBondContact O-N 3.34Å; Q65-V68 VanDerWaalsContact O-N 3.1Å
66G80.1Confident90.8Very high79 Ų79107.1 Ų107.181%0.81465%0.645SS**THydrogen-bonded Turntrans-63.7-22.8-172.700000115.1S64S64-G66 VanDerWaalsContact C-N 3.33Å
67E80.2Confident90.7Very high182 Ų182107 Ų10785%0.8565%0.65SS**THydrogen-bonded Turntrans-96.7-2.5179.1-65178.718000113Q65 P69Q65-E67 PolarHBondContact O-N 3.18Å; E67-P69 WeakPolarHBondContact O-CD 3.27Å
68V86.9Confident90.6Very high100 Ų100106.3 Ų106.361%0.60665%0.647SS**SBendtrans-77.7121.4-178.9-178.30000108.8Q65Q65-V68 HydrophobicContact CB-CG2 4.43Å; Q65-V68 WeakPolarHBondContact O-CB 3.43Å; Q65-V68 PolarHBondContact O-N 3.34Å; Q65-V68 VanDerWaalsContact O-N 3.1Å
69P87.8Confident90.5Very high106 Ų10699.2 Ų99.269%0.68863%0.627SS**PPolyproline II helixtrans-62.8132.3179.724.7-32.6000110.1E67E67-P69 WeakPolarHBondContact O-CD 3.27Å
70P86.4Confident90.5Very high136 Ų13697.7 Ų97.788%0.88362%0.619SS**SBendtrans-70.5132.6174.329.4-33.2000109.4
71G88.1Confident90.6Very high57 Ų5799.6 Ų99.659%0.58860%0.604SS**SBendtrans141.7-175176.600000113.7
72P91.5Very high90.6Very high132 Ų13299.4 Ų99.486%0.85760%0.597SS**PPolyproline II helixtrans-65.3145.317528.1-33.2000110.8
73L93.2Very high90.4Very high107 Ų10797.9 Ų97.956%0.5659%0.588SS**PPolyproline II helixtrans-64.7148.1174.1-83.674.4000110.3E75 V77 L78L73-E75 PolarHBondContact O-N 2.98Å; L73-V77 HydrophobicContact CD2-CG1 4.11Å; L73-L78 HydrophobicContact CB-CD2 4.19Å; L73-L78 HydrophobicContact CB-CG 4.15Å
74P94.1Very high90.4Very high86 Ų8695.8 Ų95.856%0.55857%0.574SS**PPolyproline II helixtrans-56.4139.3174.4-23.533.1000112A76 V77 L78P74-A76 PolarHBondContact O-N 3.47Å; P74-A76 VanDerWaalsContact O-N 3.17Å; P74-V77 HydrophobicContact CB-CG2 4.21Å; P74-V77 HydrophobicContact CG-CG2 4.34Å; P74-V77 WeakPolarHBondContact O-CB 3.38Å; P74-V77 PolarHBondContact O-N 2.89Å; P74-L78 PolarHBondContact O-N 3.48Å; P74-L78 VanDerWaalsContact O-N 3.16Å
75E93.8Very high90.3Very high169 Ų16997.5 Ų97.579%0.7957%0.565SS**Hα-helixtrans-55.5-37.2-178.9-173.2-174.6-177.400112.3L73 V77 L78 A79L73-E75 PolarHBondContact O-N 2.98Å; E75-V77 VanDerWaalsContact C-N 3.28Å; E75-V77 PolarHBondContact O-N 3.48Å; E75-L78 PolarHBondContact O-N 3.35Å; E75-A79 WeakPolarHBondContact O-CB 3.29Å; E75-A79 PolarHBondContact O-N 3.17Å
76A92.1Very high90.4Very high59 Ų5993.7 Ų93.749%0.48855%0.549SS..Hα-helixtrans-59.4-37.8176.800000113P74 L80P74-A76 PolarHBondContact O-N 3.47Å; P74-A76 VanDerWaalsContact O-N 3.17Å; A76-L80 WeakPolarHBondContact O-CB 3.18Å; A76-L80 PolarHBondContact O-N 3.46Å; A76-L80 VanDerWaalsContact O-N 3.09Å
77V94.1Very high90.4Very high69 Ų6998.5 Ų98.542%0.41854%0.543SS..Hα-helixtrans-72-43.1177.4178.70000110.2L73 P74 E75 L80 Y81L73-V77 HydrophobicContact CD2-CG1 4.11Å; P74-V77 HydrophobicContact CB-CG2 4.21Å; P74-V77 HydrophobicContact CG-CG2 4.34Å; P74-V77 WeakPolarHBondContact O-CB 3.38Å; P74-V77 PolarHBondContact O-N 2.89Å; E75-V77 VanDerWaalsContact C-N 3.28Å; E75-V77 PolarHBondContact O-N 3.48Å; V77-L80 PolarHBondContact O-N 2.94Å; V77-Y81 WeakPolarHBondContact O-CB 3.35Å; V77-Y81 PolarHBondContact O-N 3.04Å
78L94.5Very high90.2Very high78 Ų7895.4 Ų95.441%0.40854%0.536SS..Hα-helixtrans-61.9-44.7176.6-68.5173.6000111.8L73 P74 E75 L80 Y81 N82L73-L78 HydrophobicContact CB-CD2 4.19Å; L73-L78 HydrophobicContact CB-CG 4.15Å; P74-L78 PolarHBondContact O-N 3.48Å; P74-L78 VanDerWaalsContact O-N 3.16Å; E75-L78 PolarHBondContact O-N 3.35Å; L78-L80 VanDerWaalsContact C-N 3.34Å; L78-L80 PolarHBondContact O-N 2.93Å; L78-Y81 PolarHBondContact O-N 3.22Å; L78-N82 WeakPolarHBondContact O-CB 3.37Å; L78-N82 VanDerWaalsContact O-CG 3.23Å; L78-N82 PolarHBondContact O-N 2.93Å; L78-N82 PolarHBondContact O-ND2 3.31Å
79A93Very high89.6Confident31 Ų3194.6 Ų94.626%0.25654%0.54SS..Hα-helixtrans-64.8-38.7178.200000111.9E75 S83 R110E75-A79 WeakPolarHBondContact O-CB 3.29Å; E75-A79 PolarHBondContact O-N 3.17Å; A79-S83 WeakPolarHBondContact O-CB 3.28Å; A79-S83 PolarHBondContact O-N 2.72Å; A79-S83 PolarHBondContact O-OG 3.15Å; A79-R110 VanDerWaalsContact CB-NH1 3.26Å
80L94.9Very high88.4Confident35 Ų3592.3 Ų92.318%0.18354%0.536CS..Hα-helixtrans-64.1-47.2173.5-178.164.1000111.8A76 V77 L78 S83 T84 V108 R110A76-L80 WeakPolarHBondContact O-CB 3.18Å; A76-L80 PolarHBondContact O-N 3.46Å; A76-L80 VanDerWaalsContact O-N 3.09Å; V77-L80 PolarHBondContact O-N 2.94Å; L78-L80 VanDerWaalsContact C-N 3.34Å; L78-L80 PolarHBondContact O-N 2.93Å; L80-S83 PolarHBondContact O-N 3.08Å; L80-S83 PolarHBondContact O-OG 2.83Å; L80-T84 PolarHBondContact O-N 3.13Å; L80-T84 PolarHBondContact O-OG1 2.64Å; L80-V108 HydrophobicContact CD1-CG1 3.96Å; L80-V108 WeakPolarHBondContact CD2-O 3.46Å; L80-V108 HydrophobicContact CG-CG1 4.42Å; L80-R110 HydrophobicContact CD1-CB 3.8Å; L80-R110 HydrophobicContact CD1-CG 3.9Å
81Y94.5Very high87Confident147 Ų14792.3 Ų92.358%0.57652%0.524SS*.Hα-helixtrans-59.1-48.1176.9174.9-98.7000111.8V77 L78 S83 T84 R85V77-Y81 WeakPolarHBondContact O-CB 3.35Å; V77-Y81 PolarHBondContact O-N 3.04Å; L78-Y81 PolarHBondContact O-N 3.22Å; Y81-S83 PolarHBondContact O-N 3.31Å; Y81-T84 PolarHBondContact O-N 3.18Å; Y81-T84 VanDerWaalsContact O-N 3.16Å; Y81-R85 WeakPolarHBondContact O-CB 3.32Å; Y81-R85 PolarHBondContact O-N 2.87Å
82N93.3Very high85.4Confident73 Ų7395.5 Ų95.539%0.3954%0.538SS..Hα-helixtrans-60.6-45.2178.9-70.8-16000111.3L78 T84 R85 D86L78-N82 WeakPolarHBondContact O-CB 3.37Å; L78-N82 VanDerWaalsContact O-CG 3.23Å; L78-N82 PolarHBondContact O-N 2.93Å; L78-N82 PolarHBondContact O-ND2 3.31Å; N82-T84 VanDerWaalsContact C-N 3.27Å; N82-T84 PolarHBondContact O-N 2.65Å; N82-R85 PolarHBondContact O-N 2.94Å; N82-D86 WeakPolarHBondContact O-CB 3.49Å; N82-D86 PolarHBondContact O-N 2.77Å
83S91.1Very high83.8Confident51 Ų5193 Ų9336%0.35753%0.528SS..Hα-helixtrans-60.7-36176.471.20000113.1A79 L80 Y81 R87A79-S83 WeakPolarHBondContact O-CB 3.28Å; A79-S83 PolarHBondContact O-N 2.72Å; A79-S83 PolarHBondContact O-OG 3.15Å; L80-S83 PolarHBondContact O-N 3.08Å; L80-S83 PolarHBondContact O-OG 2.83Å; Y81-S83 PolarHBondContact O-N 3.31Å; S83-R87 WeakPolarHBondContact O-CG 3.36Å; S83-R87 PolarHBondContact O-N 2.92Å
84T91Very high81.8Confident48 Ų4895.4 Ų95.429%0.29454%0.536SS..Hα-helixtrans-71.5-45.3177.6-53.50000110.7L80 Y81 N82 D86 R87 V88L80-T84 PolarHBondContact O-N 3.13Å; L80-T84 PolarHBondContact O-OG1 2.64Å; Y81-T84 PolarHBondContact O-N 3.18Å; Y81-T84 VanDerWaalsContact O-N 3.16Å; N82-T84 VanDerWaalsContact C-N 3.27Å; N82-T84 PolarHBondContact O-N 2.65Å; T84-D86 VanDerWaalsContact C-N 3.35Å; T84-D86 PolarHBondContact O-N 2.76Å; T84-R87 PolarHBondContact O-N 2.97Å; T84-V88 WeakPolarHBondContact O-CG2 3.36Å; T84-V88 PolarHBondContact O-N 3.26Å; T84-V88 VanDerWaalsContact O-N 3.08Å
85R89.5Confident79.9Confident138 Ų13897 Ų9752%0.52155%0.547SS..Hα-helixtrans-61.4-44.6178.7-169.8-165.875.5154.23.5111.4Y81 N82 V88 A89Y81-R85 WeakPolarHBondContact O-CB 3.32Å; Y81-R85 PolarHBondContact O-N 2.87Å; N82-R85 PolarHBondContact O-N 2.94Å; R85-V88 PolarHBondContact O-N 2.91Å; R85-A89 VanDerWaalsContact O-CB 3.26Å; R85-A89 WeakPolarHBondContact O-CB 2.94Å; R85-A89 PolarHBondContact O-N 2.9Å
86D87.4Confident78.2Confident84 Ų8496.1 Ų96.145%0.44954%0.543SS..Hα-helixtrans-71.2-32.4-176-63.4-16.8000111.5N82 T84 G90N82-D86 WeakPolarHBondContact O-CB 3.49Å; N82-D86 PolarHBondContact O-N 2.77Å; T84-D86 VanDerWaalsContact C-N 3.35Å; T84-D86 PolarHBondContact O-N 2.76Å; D86-G90 WeakPolarHBondContact O-CA 3.25Å; D86-G90 PolarHBondContact O-N 3.49Å
87R81.3Confident76.5Confident181 Ų18199 Ų9968%0.68356%0.556SS**Hα-helixtrans-61.5-52168-72.4171.769.999.36.7111.3S83 T84 A89 G90 E91S83-R87 WeakPolarHBondContact O-CG 3.36Å; S83-R87 PolarHBondContact O-N 2.92Å; T84-R87 PolarHBondContact O-N 2.97Å; R87-A89 VanDerWaalsContact C-N 3.28Å; R87-A89 PolarHBondContact O-N 2.76Å; R87-G90 PolarHBondContact O-N 2.93Å; R87-E91 PolarHBondContact O-N 3.46Å
88V75.4Confident74.8Confident116 Ų116103.2 Ų103.270%0.70357%0.571SS**Hα-helixtrans-62.7-33.6179.5174.30000112.5T84 R85T84-V88 WeakPolarHBondContact O-CG2 3.36Å; T84-V88 PolarHBondContact O-N 3.26Å; T84-V88 VanDerWaalsContact O-N 3.08Å; R85-V88 PolarHBondContact O-N 2.91Å
89A74.9Confident73.6Confident84 Ų84104.9 Ų104.969%0.69459%0.587SS**Hα-helixtrans-83.2-26.1178.900000113.6R85 R87R85-A89 VanDerWaalsContact O-CB 3.26Å; R85-A89 WeakPolarHBondContact O-CB 2.94Å; R85-A89 PolarHBondContact O-N 2.9Å; R87-A89 VanDerWaalsContact C-N 3.28Å; R87-A89 PolarHBondContact O-N 2.76Å
90G63.1Low72.7Confident58 Ų58112.5 Ų112.560%0.59862%0.617SS**Hα-helixtrans-90.1-6.5-178.600000114.8D86 R87 S92D86-G90 WeakPolarHBondContact O-CA 3.25Å; D86-G90 PolarHBondContact O-N 3.49Å; R87-G90 PolarHBondContact O-N 2.93Å; G90-S92 VanDerWaalsContact C-N 3.34Å; G90-S92 PolarHBondContact O-N 2.83Å
91E56.3Low71.7Confident135 Ų135114.9 Ų114.963%0.63164%0.642SS**  trans-74.382-178.4-147.4100.6-177.800111.8R87R87-E91 PolarHBondContact O-N 3.46Å
92S55.3Low71.3Confident125 Ų125112.8 Ų112.887%0.87464%0.641SS**  trans-118.314.5154.4-164.90000111.8G90G90-S92 VanDerWaalsContact C-N 3.34Å; G90-S92 PolarHBondContact O-N 2.83Å
93A56.6Low71.2Confident78 Ų78115.1 Ų115.165%0.64565%0.645SS**SBendtrans-125.4103.6-175.500000110.9
94E52.2Low71.3Confident158 Ų158117.7 Ų117.774%0.73865%0.648SS**  trans66.6107.8170.8-63.2-65.3127.100116.2E96E94-E96 VanDerWaalsContact C-N 3.25Å; E94-E96 PolarHBondContact O-N 3.47Å
95P54.7Low71.4Confident121 Ų121118.2 Ų118.279%0.78666%0.656SS**  trans-6792.9162.529.9-29.5000107.4
96E56.8Low71.5Confident150 Ų150118.6 Ų118.670%0.70166%0.662SS**  trans-47.2138.6154.3-91-77.914800107.1E94 E98E94-E96 VanDerWaalsContact C-N 3.25Å; E94-E96 PolarHBondContact O-N 3.47Å; E96-E98 PolarHBondContact O-N 3.3Å
97P56.1Low71.6Confident118 Ų118123 Ų12377%0.76668%0.68SS**  trans-68.172.5176.228.7-33.7000109.1
98E59.5Low72.2Confident158 Ų158118 Ų11874%0.73867%0.669SS**  trans-69131.4173.3-79.2-149148.400107.8E96E96-E98 PolarHBondContact O-N 3.3Å
99P69.6Low72.9Confident113 Ų113117.5 Ų117.573%0.73467%0.666SS**  trans-56.5151.6167.726.8-33.7000109.4A101P99-A101 PolarHBondContact O-N 2.83Å
100E73.3Confident73.6Confident191 Ų191119 Ų11989%0.89365%0.654SS**  trans-44117.9177.7-64.5-180-178.400110.6D102E100-D102 PolarHBondContact O-N 3.45Å
101A74.4Confident74.9Confident86 Ų86123 Ų12371%0.71167%0.666SS**  trans-59.3130-175.400000110.5P99 Y103P99-A101 PolarHBondContact O-N 2.83Å; A101-Y103 PolarHBondContact O-N 3.31Å
102D86Confident76.4Confident102 Ų102123.2 Ų123.255%0.54567%0.671SS.*  trans-53.5138.1178.6-65.2-59.1000111E100 Y104 K106E100-D102 PolarHBondContact O-N 3.45Å; D102-Y104 PolarHBondContact O-N 3.34Å; D102-K106 WeakPolarHBondContact OD2-CE 3.4Å; D102-K106 IonicContact OD2-NZ 2.77Å; D102-K106 PolarHBondContact OD2-NZ 2.81Å
103Y90.8Very high78.1Confident123 Ų123126 Ų12648%0.48267%0.673SS.*SBendtrans-57.9-33.9-179.3175.8-100.7000112.9S55 K56 A101S55-Y103 PolarHBondContact OG-OH 2.86Å; K56-Y103 WeakPolarHBondContact CG-O 3.44Å; K56-Y103 PolarHBondContact NZ-O 3.4Å; A101-Y103 PolarHBondContact O-N 3.31Å
104Y93.9Very high79.7Confident105 Ų105128.9 Ų128.941%0.41268%0.682SS.*SBendtrans-82.9153-176.4-64.4-73.1000113S55 R58 D102S55-Y104 WeakPolarHBondContact O-CD1 3.47Å; S55-Y104 WeakPolarHBondContact O-CE1 3.49Å; R58-Y104 HydrophobicContact CG-CD1 3.42Å; R58-Y104 VanDerWaalsContact CG-CD1 3.42Å; R58-Y104 HydrophobicContact CG-CE1 3.56Å; R58-Y104 HydrophobicContact CG-CG 4.32Å; R58-Y104 VanDerWaalsContact NE-CD1 3.28Å; D102-Y104 PolarHBondContact O-N 3.34Å
105A91.6Very high81.3Confident58 Ų58129.7 Ų129.748%0.47969%0.686SS.*  trans-63.7144.4174.600000111.3K56 L57K56-A105 PolarHBondContact O-N 3.39Å; L57-A105 HydrophobicContact CD2-CB 3.82Å
106K92.1Very high82.4Confident147 Ų147129.6 Ų129.664%0.63968%0.683SS**  trans-107.4140.6172.6-64.4-173.7179.7-175.80109.4D102D102-K106 WeakPolarHBondContact OD2-CE 3.4Å; D102-K106 IonicContact OD2-NZ 2.77Å; D102-K106 PolarHBondContact OD2-NZ 2.81Å
107E90.9Very high82.9Confident176 Ų176130.5 Ų130.582%0.82269%0.687SS**  trans-72.6131.4170.4-173.2178.5174.700109.3T109E107-T109 HydrophobicContact CG-CG2 4.37Å
108V92.1Very high82.9Confident76 Ų76132 Ų13246%0.46169%0.689SS.*  trans-100.9128.3178.2-170.20000108.1L80L80-V108 HydrophobicContact CD1-CG1 3.96Å; L80-V108 WeakPolarHBondContact CD2-O 3.46Å; L80-V108 HydrophobicContact CG-CG1 4.42Å
109T91.4Very high82.3Confident105 Ų105127.3 Ų127.364%0.64468%0.682SS**  trans-132.7155173.656.70000109.3E107E107-T109 HydrophobicContact CG-CG2 4.37Å
110R88.9Confident81.4Confident116 Ų116131.4 Ų131.444%0.43869%0.692SS.*  trans-126.2140.7176.767.4-179.8-173.2166.15.6110.5A79 L80A79-R110 VanDerWaalsContact CB-NH1 3.26Å; L80-R110 HydrophobicContact CD1-CB 3.8Å; L80-R110 HydrophobicContact CD1-CG 3.9Å
111V90.5Very high80Confident141 Ų141130.4 Ų130.486%0.85569%0.691SS**  trans-118.2128.5174.1-176.20000107.7
112L87.9Confident78.4Confident140 Ų140130 Ų13073%0.73370%0.696SS**PPolyproline II helixtrans-85.5145.2177.7-59.2178.3000109.8
113M90.6Very high76Confident183 Ų183128.9 Ų128.990%0.90171%0.709SS**PPolyproline II helixtrans-69.3151.6173.161.7-169.7177.100111.2
114V90.6Very high73.8Confident140 Ų140128.3 Ų128.385%0.84873%0.729SS**PPolyproline II helixtrans-67.6137175-179.60000109.3T116V114-T116 PolarHBondContact O-N 3.11Å
115E85.1Confident71.3Confident175 Ų175126.8 Ų126.882%0.81875%0.745SS**PPolyproline II helixtrans-69.4124.9-179.1-167.6159.9-157.300111.1H117E115-H117 PolarHBondContact O-N 2.89Å; E115-H117 VanDerWaalsContact O-N 3.14Å
116T79.4Confident68.9Low119 Ų119132.9 Ų132.973%0.7376%0.764SS**  trans-75.4101.8173.6-47.50000108.3V114 N118V114-T116 PolarHBondContact O-N 3.11Å; T116-N118 VanDerWaalsContact C-N 3.35Å; T116-N118 PolarHBondContact O-N 3.41Å
117H65.6Low67.1Low169 Ų169131.9 Ų131.978%0.78277%0.772SS**  trans-67.795.7165.963.5-77000108E115 G119E115-H117 PolarHBondContact O-N 2.89Å; E115-H117 VanDerWaalsContact O-N 3.14Å; H117-G119 PolarHBondContact O-N 3.31Å
118N57.4Low64.8Low150 Ų150127.1 Ų127.180%0.80277%0.771SS**  trans-68.4104.2162-90.55.6000106.5T116 E120T116-N118 VanDerWaalsContact C-N 3.35Å; T116-N118 PolarHBondContact O-N 3.41Å; N118-E120 PolarHBondContact O-N 3.03Å
119G47.1Very low62.3Low58 Ų58127.1 Ų127.160%0.59879%0.786SS**  trans-50.6124-178.600000111.6H117 L121H117-G119 PolarHBondContact O-N 3.31Å; G119-L121 VanDerWaalsContact C-N 3.31Å; G119-L121 PolarHBondContact O-N 3.38Å
120E49.1Very low60Low200 Ų200125.9 Ų125.994%0.93579%0.794SS**  trans-55.495158-171.1149.298.900108.6N118N118-E120 PolarHBondContact O-N 3.03Å
121L44.4Very low58.3Low169 Ų169126.3 Ų126.389%0.88581%0.812SS**  trans-111.4109163.3-92.9155.2000106.4G119G119-L121 VanDerWaalsContact C-N 3.31Å; G119-L121 PolarHBondContact O-N 3.38Å
122G42Very low56.4Low79 Ų79125.7 Ų125.781%0.81481%0.811SS**  trans-61.5159.4-170.600000115.4
123G34Very low54.2Low78 Ų78123 Ų12380%0.80482%0.817SS**  trans-17191.5169.300000109.2
124A46.1Very low51.9Low111 Ų111118.1 Ų118.192%0.91781%0.813SS**  trans-63.1140.8170.600000111.2
125G40.5Very low49.9Very low72 Ų72116.6 Ų116.674%0.74282%0.815SS**  trans10897.6153.900000117
126E42.1Very low47.9Very low187 Ų187111.8 Ų111.887%0.87481%0.813SS**  166.3139.9108.2-94.2-141.893.800112.5G128E126-G128 PolarHBondContact O-N 3.23Å
127P53.6Low46.6Very low125 Ų125112.7 Ų112.781%0.81282%0.818SS**  trans-88.496169.633.5-28000110.6
128G41.9Very low46.2Very low77 Ų77110.9 Ų110.979%0.79482%0.821SS**PPolyproline II helixtrans-83.7116.6175.300000112.2E126E126-G128 PolarHBondContact O-N 3.23Å
129G39.3Very low45.9Very low75 Ų75106.9 Ų106.977%0.77382%0.815SS**PPolyproline II helixtrans-62.2151.3-172.400000116.5
130G42.9Very low46.4Very low79 Ų79110 Ų11081%0.81483%0.825SS**PPolyproline II helixtrans-77.1156.316600000112.1
131P53.8Low46.6Very low126 Ų126112.6 Ų112.682%0.81883%0.826SS**PPolyproline II helixtrans-96.5158.3162.134.2-25.8000111.7
132P50.5Low47.4Very low127 Ų127111 Ų11183%0.82582%0.824SS**PPolyproline II helixtrans-89152.2-165.735-35.1000114.1
133G41.8Very low47.9Very low85 Ų85114.2 Ų114.288%0.87686%0.856SS**  trans77.3111.4136.500000118.9
134G42.1Very low48.6Very low79 Ų79116.1 Ų116.181%0.81486%0.859SS**  trans-145.2111.3155.200000109.6
135A48.5Very low48.8Very low108 Ų108116.3 Ų116.389%0.89386%0.856SS**  trans-65.7155.5-176.100000113.3
136G43.3Very low49.2Very low74 Ų74118.8 Ų118.876%0.76386%0.862SS**  trans-75.6172.1-164.900000118.1
137V53Low49.6Very low138 Ų138114.8 Ų114.884%0.83686%0.862SS**  trans-146.4124.1152.8-174.50000108.2
138P56.1Low49.4Very low131 Ų131114.1 Ų114.185%0.85187%0.865SS**PPolyproline II helixtrans-82.8125.2171.730.5-30000111.4
139G51.4Low49.9Very low66 Ų66116.6 Ų116.668%0.6887%0.87SS**PPolyproline II helixtrans-85.6159.4170.900000113
140P57.6Low50.6Low124 Ų124119.6 Ų119.681%0.80588%0.876SS**PPolyproline II helixtrans-82.6145.3-151.932.6-34.3000113.7
141R53.9Low51.2Low254 Ų254122.7 Ų122.796%0.95888%0.881SS**PPolyproline II helixtrans-69.3128.1162.6-66-175.9-169.9-145.61.8108.7
142V61.3Low51Low137 Ų137122.4 Ų122.483%0.8389%0.886SS**  trans-107.1125.8163.6-1700000106.5
143G52.9Low51.1Low146 Ų146122 Ų122100%1.50589%0.892SS**  trans-82.30-177.700000114.2

Retrieved 143 of 143 residues in 73 ms (Link to these results)