A0A078BCH8_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 A0A078BCH8, 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
1M57.3Low70.6Confident234 Ų234114 Ų114100%1.15363%0.629SS**  0114.40-62.9171.6106.900106.8
2P56.9Low71.4Confident72 Ų72111.8 Ų111.847%0.46862%0.615SS.*  trans-67.4141.2-177.728.5-33.5000109.9S4 R7P2-S4 PolarHBondContact O-N 3.17Å; P2-R7 HydrophobicContact CG-CG 4.31Å
3P68Low72.3Confident85 Ų85112.1 Ų112.155%0.55261%0.614SS**  trans-61.3136.8-17725-32.7000110.1G5 L6P3-G5 PolarHBondContact O-N 3.21Å; P3-L6 HydrophobicContact CG-CB 4.34Å; P3-L6 HydrophobicContact CG-CD1 3.94Å; P3-L6 WeakPolarHBondContact O-CB 3.45Å; P3-L6 PolarHBondContact O-N 3.44Å
4S68.8Low72.8Confident108 Ų108108.9 Ų108.976%0.75560%0.601SS**Hα-helixtrans-52.1-30.5-169.3-350000114P2 R7 L8P2-S4 PolarHBondContact O-N 3.17Å; S4-R7 PolarHBondContact O-N 3Å; S4-L8 PolarHBondContact O-N 2.94Å
5G71.4Confident73Confident53 Ų53108.9 Ų108.955%0.54660%0.599SS.*Hα-helixtrans-69.2-31.2177.300000114.4P3 L8 L9P3-G5 PolarHBondContact O-N 3.21Å; G5-L8 PolarHBondContact O-N 3.19Å; G5-L9 WeakPolarHBondContact O-CB 3.47Å; G5-L9 PolarHBondContact O-N 2.89Å
6L74.5Confident73.4Confident92 Ų92108.7 Ų108.748%0.48260%0.596SS.*Hα-helixtrans-71.9-32.8178.3-118.2148.2000111.2P3 L10P3-L6 HydrophobicContact CG-CB 4.34Å; P3-L6 HydrophobicContact CG-CD1 3.94Å; P3-L6 WeakPolarHBondContact O-CB 3.45Å; P3-L6 PolarHBondContact O-N 3.44Å; L6-L10 HydrophobicContact CD2-CD1 4.39Å; L6-L10 WeakPolarHBondContact O-CB 3.36Å; L6-L10 WeakPolarHBondContact O-CG 3.44Å; L6-L10 PolarHBondContact O-N 3.38Å
7R74.4Confident73.7Confident160 Ų160112.6 Ų112.660%0.60460%0.6SS**Hα-helixtrans-69.5-39.1173.7-72.5-163165.5-176.5-2112.5P2 S4 L10 L11P2-R7 HydrophobicContact CG-CG 4.31Å; S4-R7 PolarHBondContact O-N 3Å; R7-L10 PolarHBondContact O-N 2.98Å; R7-L11 PolarHBondContact O-N 3.1Å; R7-L11 VanDerWaalsContact O-N 3.12Å
8L75.8Confident73.8Confident106 Ų106112.6 Ų112.656%0.55560%0.599SS**Hα-helixtrans-65.8-43.9174.9-171.265.9000110.5S4 G5 L10 L11 L12S4-L8 PolarHBondContact O-N 2.94Å; G5-L8 PolarHBondContact O-N 3.19Å; L8-L10 PolarHBondContact O-N 3.17Å; L8-L11 PolarHBondContact O-N 2.99Å; L8-L11 VanDerWaalsContact O-N 3.16Å; L8-L12 HydrophobicContact CD1-CD1 4.3Å; L8-L12 HydrophobicContact CD1-CG 4.35Å; L8-L12 HydrophobicContact CD2-CD1 4.31Å; L8-L12 HydrophobicContact CG-CD1 3.79Å; L8-L12 HydrophobicContact CG-CG 4.24Å; L8-L12 WeakPolarHBondContact O-CB 3.48Å; L8-L12 VanDerWaalsContact O-CG 3.24Å; L8-L12 WeakPolarHBondContact O-CG 3.33Å; L8-L12 PolarHBondContact O-N 3.35Å
9L77.4Confident73.7Confident105 Ų105113.2 Ų113.255%0.5560%0.602SS.*Hα-helixtrans-60.6-44176.7-171.168.2000111.9G5 L11 L12 L13G5-L9 WeakPolarHBondContact O-CB 3.47Å; G5-L9 PolarHBondContact O-N 2.89Å; L9-L11 VanDerWaalsContact C-N 3.26Å; L9-L11 PolarHBondContact O-N 3.11Å; L9-L12 PolarHBondContact O-N 3.34Å; L9-L13 WeakPolarHBondContact O-CB 3.44Å; L9-L13 PolarHBondContact O-N 3.24Å
10L76.4Confident73.7Confident115 Ų115112.9 Ų112.960%0.60260%0.604SS**Hα-helixtrans-67.2-22.2177.5-71.8171.6000113.8L6 R7 L8 P14L6-L10 HydrophobicContact CD2-CD1 4.39Å; L6-L10 WeakPolarHBondContact O-CB 3.36Å; L6-L10 WeakPolarHBondContact O-CG 3.44Å; L6-L10 PolarHBondContact O-N 3.38Å; R7-L10 PolarHBondContact O-N 2.98Å; L8-L10 PolarHBondContact O-N 3.17Å; L10-P14 WeakPolarHBondContact O-CD 3.36Å; L10-P14 VanDerWaalsContact O-CG 3.31Å; L10-P14 WeakPolarHBondContact O-CG 3.47Å
11L76.3Confident73.5Confident124 Ų124113 Ų11365%0.64960%0.604SS**Hα-helixtrans-87.6-34.9173.3-87.3159.7000112.5R7 L8 L9 P14 L15R7-L11 PolarHBondContact O-N 3.1Å; R7-L11 VanDerWaalsContact O-N 3.12Å; L8-L11 PolarHBondContact O-N 2.99Å; L8-L11 VanDerWaalsContact O-N 3.16Å; L9-L11 VanDerWaalsContact C-N 3.26Å; L9-L11 PolarHBondContact O-N 3.11Å; L11-P14 WeakPolarHBondContact O-CD 3.45Å; L11-P14 WeakPolarHBondContact O-CG 3.41Å; L11-L15 WeakPolarHBondContact O-CB 3.31Å; L11-L15 PolarHBondContact O-N 3.48Å
12L80Confident73.9Confident88 Ų88105.2 Ų105.246%0.46157%0.57SS.*Hα-helixtrans-74.6-34.6179.1-70.7175.2000112.3L8 L9 L15 L16L8-L12 HydrophobicContact CD1-CD1 4.3Å; L8-L12 HydrophobicContact CD1-CG 4.35Å; L8-L12 HydrophobicContact CD2-CD1 4.31Å; L8-L12 HydrophobicContact CG-CD1 3.79Å; L8-L12 HydrophobicContact CG-CG 4.24Å; L8-L12 WeakPolarHBondContact O-CB 3.48Å; L8-L12 VanDerWaalsContact O-CG 3.24Å; L8-L12 WeakPolarHBondContact O-CG 3.33Å; L8-L12 PolarHBondContact O-N 3.35Å; L9-L12 PolarHBondContact O-N 3.34Å; L12-L15 HydrophobicContact CD2-CD2 4.48Å; L12-L15 PolarHBondContact O-N 2.94Å; L12-L16 VanDerWaalsContact O-CB 3.26Å; L12-L16 WeakPolarHBondContact O-CB 3.38Å; L12-L16 PolarHBondContact O-N 3.5Å
13L82.4Confident74Confident115 Ų115107.1 Ų107.160%0.60258%0.583SS**Hα-helixtrans-59.2-50.7179.2-14988.8000113.5L9 L15 L16 W17L9-L13 WeakPolarHBondContact O-CB 3.44Å; L9-L13 PolarHBondContact O-N 3.24Å; L13-L15 VanDerWaalsContact C-N 3.35Å; L13-L16 PolarHBondContact O-N 3.15Å; L13-W17 WeakPolarHBondContact O-CB 3Å; L13-W17 PolarHBondContact O-N 3.49Å
14P79.6Confident73.6Confident68 Ų68106.3 Ų106.344%0.44259%0.59SS.*Hα-helixtrans-70.7-29.9176.628.2-35.2000112.3L10 L11 W17 L18L10-P14 WeakPolarHBondContact O-CD 3.36Å; L10-P14 VanDerWaalsContact O-CG 3.31Å; L10-P14 WeakPolarHBondContact O-CG 3.47Å; L11-P14 WeakPolarHBondContact O-CD 3.45Å; L11-P14 WeakPolarHBondContact O-CG 3.41Å; P14-W17 PolarHBondContact O-N 3.34Å; P14-L18 WeakPolarHBondContact O-CB 3.3Å; P14-L18 PolarHBondContact O-N 2.77Å
15L76.5Confident73.1Confident108 Ų108112.6 Ų112.657%0.56560%0.597SS**Hα-helixtrans-67.6-42.7175.6-173.967.8000111.4L11 L12 L13 L18 L19L11-L15 WeakPolarHBondContact O-CB 3.31Å; L11-L15 PolarHBondContact O-N 3.48Å; L12-L15 HydrophobicContact CD2-CD2 4.48Å; L12-L15 PolarHBondContact O-N 2.94Å; L13-L15 VanDerWaalsContact C-N 3.35Å; L15-L18 PolarHBondContact O-N 3.16Å; L15-L19 WeakPolarHBondContact O-CB 3.34Å; L15-L19 PolarHBondContact O-N 2.83Å
16L78.3Confident72.2Confident106 Ų106115.3 Ų115.356%0.55561%0.605SS**Hα-helixtrans-67.2-41174.9-17565.5000110.8L12 L13 L19 V20L12-L16 VanDerWaalsContact O-CB 3.26Å; L12-L16 WeakPolarHBondContact O-CB 3.38Å; L12-L16 PolarHBondContact O-N 3.5Å; L13-L16 PolarHBondContact O-N 3.15Å; L16-L19 PolarHBondContact O-N 3.25Å; L16-V20 WeakPolarHBondContact O-CG2 3.25Å; L16-V20 PolarHBondContact O-N 2.84Å
17W79.7Confident71.3Confident175 Ų175115.9 Ų115.966%0.66362%0.623SS**Hα-helixtrans-63.9-42.3175.3-16731.9000111.3L13 P14 L19 V20 L21L13-W17 WeakPolarHBondContact O-CB 3Å; L13-W17 PolarHBondContact O-N 3.49Å; P14-W17 PolarHBondContact O-N 3.34Å; W17-L19 VanDerWaalsContact C-N 3.32Å; W17-L19 PolarHBondContact O-N 3.18Å; W17-V20 PolarHBondContact O-N 3.14Å; W17-L21 VanDerWaalsContact O-CB 3.28Å; W17-L21 WeakPolarHBondContact O-CB 3.45Å; W17-L21 PolarHBondContact O-N 2.72Å
18L75.2Confident70.4Confident112 Ų112112 Ų11259%0.58663%0.625SS**Hα-helixtrans-63.1-36.9174.3-171.767.5000112P14 L15 T22P14-L18 WeakPolarHBondContact O-CB 3.3Å; P14-L18 PolarHBondContact O-N 2.77Å; L15-L18 PolarHBondContact O-N 3.16Å; L18-T22 WeakPolarHBondContact O-CB 3.41Å; L18-T22 VanDerWaalsContact O-CG2 3.27Å; L18-T22 WeakPolarHBondContact O-CG2 3.41Å; L18-T22 PolarHBondContact O-N 2.97Å; L18-T22 PolarHBondContact O-OG1 2.9Å
19L71.7Confident69.4Low124 Ų124108.8 Ų108.865%0.64962%0.617SS**Hα-helixtrans-69.3-34.1175.9-17165.5000112.5L15 L16 W17 T22L15-L19 WeakPolarHBondContact O-CB 3.34Å; L15-L19 PolarHBondContact O-N 2.83Å; L16-L19 PolarHBondContact O-N 3.25Å; W17-L19 VanDerWaalsContact C-N 3.32Å; W17-L19 PolarHBondContact O-N 3.18Å; L19-T22 WeakPolarHBondContact CA-OG1 3.41Å; L19-T22 PolarHBondContact O-OG1 3.34Å; L19-T22 VanDerWaalsContact O-OG1 3.12Å
20V73.3Confident68.4Low107 Ų107112.2 Ų112.265%0.64864%0.635SS**Hα-helixtrans-77.3-36.1175.3169.80000111.7L16 W17L16-V20 WeakPolarHBondContact O-CG2 3.25Å; L16-V20 PolarHBondContact O-N 2.84Å; W17-V20 PolarHBondContact O-N 3.14Å
21L69.1Low67.2Low115 Ų115110.8 Ų110.860%0.60264%0.635SS**Hα-helixtrans-85.2-11.4-178.9-132.773.1000113.4W17 P23W17-L21 VanDerWaalsContact O-CB 3.28Å; W17-L21 WeakPolarHBondContact O-CB 3.45Å; W17-L21 PolarHBondContact O-N 2.72Å; L21-P23 WeakPolarHBondContact O-CD 3.34Å
22T66.8Low66.2Low71 Ų71108.4 Ų108.444%0.43663%0.626SS.*SBendtrans-79.8104.7166.938.70000107.2L18 L19 G24L18-T22 WeakPolarHBondContact O-CB 3.41Å; L18-T22 VanDerWaalsContact O-CG2 3.27Å; L18-T22 WeakPolarHBondContact O-CG2 3.41Å; L18-T22 PolarHBondContact O-N 2.97Å; L18-T22 PolarHBondContact O-OG1 2.9Å; L19-T22 WeakPolarHBondContact CA-OG1 3.41Å; L19-T22 PolarHBondContact O-OG1 3.34Å; L19-T22 VanDerWaalsContact O-OG1 3.12Å; T22-G24 PolarHBondContact O-N 3.43Å
23P58.5Low64.9Low113 Ų113109.4 Ų109.473%0.73464%0.639SS**  trans-56.8118.1165.225.2-32.3000105.3L21 R25L21-P23 WeakPolarHBondContact O-CD 3.34Å; P23-R25 PolarHBondContact O-N 2.95Å
24G59.6Low63.7Low68 Ų68110.7 Ų110.770%0.70164%0.639SS**  trans-47.5108.6-179.700000107.5T22 P26T22-G24 PolarHBondContact O-N 3.43Å; G24-P26 WeakPolarHBondContact O-CD 3.27Å
25R58.6Low62.6Low239 Ų239111.2 Ų111.290%0.90264%0.642SS**  trans-57.1114.9171.6-74174.697.3170.86.1102.8P23 A27P23-R25 PolarHBondContact O-N 2.95Å; R25-A27 PolarHBondContact O-N 2.9Å
26P51.8Low61.9Low111 Ų111112 Ų11272%0.72165%0.645SS**  trans-55.3124.4172.723.2-30.7000104.5G24 A28G24-P26 WeakPolarHBondContact O-CD 3.27Å; P26-A28 PolarHBondContact O-N 3.28Å
27A56.2Low61.9Low104 Ų104110.7 Ų110.786%0.8664%0.639SS**  trans-65.268.7165.900000107.3R25 G29R25-A27 PolarHBondContact O-N 2.9Å; A27-G29 PolarHBondContact O-N 3.04Å
28A56Low62.3Low79 Ų79105.7 Ų105.765%0.65362%0.623SS**  trans-7851169.900000108.3P26P26-A28 PolarHBondContact O-N 3.28Å
29G54.8Low63Low37 Ų37104.6 Ų104.638%0.38162%0.615SS.*  trans-139.33.4-150.400000118.1A27A27-G29 PolarHBondContact O-N 3.04Å
30L56.3Low63.8Low177 Ų177103.1 Ų103.193%0.92761%0.608SS**SBendtrans-133.715.4178-65.1176.7000115.1
31S50.7Low64.7Low86 Ų86101.2 Ų101.260%0.60160%0.596SS**SBendtrans-124.9-7.3166.9-164.30000113
32T54.4Low65.9Low74 Ų74101.2 Ų101.245%0.45459%0.591SS.*Hα-helixtrans-77.2-21.8-17953.70000113.3K34T32-K34 VanDerWaalsContact C-N 3.26Å; T32-K34 PolarHBondContact O-N 3.15Å
33C53.7Low67.2Low108 Ų108105.9 Ų105.973%0.7360%0.601SS**Hα-helixtrans-73-13.3176.8-58.10000113.9
34K56.3Low69Low142 Ų142108.3 Ų108.362%0.61760%0.6SS**Hα-helixtrans-108.8-31.3179.2-167.4166.6176.6660113.5T32 D37 M38T32-K34 VanDerWaalsContact C-N 3.26Å; T32-K34 PolarHBondContact O-N 3.15Å; K34-D37 PolarHBondContact O-N 2.74Å; K34-M38 HydrophobicContact CG-CG 4.5Å; K34-M38 WeakPolarHBondContact O-CG 3.39Å; K34-M38 PolarHBondContact O-N 2.98Å
35T58.2Low70.8Confident80 Ų80113.2 Ų113.249%0.49160%0.597SS.*Hα-helixtrans-72.5-41.1-17954.20000112.8D37 M38 E39T35-D37 VanDerWaalsContact C-N 3.27Å; T35-D37 PolarHBondContact O-N 3.38Å; T35-M38 PolarHBondContact O-N 3.17Å; T35-E39 WeakPolarHBondContact O-CG 3.34Å; T35-E39 PolarHBondContact O-N 2.88Å
36I60.7Low72.6Confident123 Ų123107.2 Ų107.263%0.63158%0.582SS**Hα-helixtrans-59.8-40.6174-103.9169.6000111L40I36-L40 HydrophobicContact CG2-CD1 4.42Å; I36-L40 WeakPolarHBondContact O-CG 3.47Å; I36-L40 PolarHBondContact O-N 3.36Å
37D78.6Confident74.8Confident80 Ų80107.1 Ų107.143%0.42857%0.572SS.*Hα-helixtrans-66.8-44.3179.4-174.129.3000111.4K34 T35 E39 L40 V41K34-D37 PolarHBondContact O-N 2.74Å; T35-D37 VanDerWaalsContact C-N 3.27Å; T35-D37 PolarHBondContact O-N 3.38Å; D37-E39 PolarHBondContact O-N 2.92Å; D37-L40 PolarHBondContact O-N 3.48Å; D37-V41 WeakPolarHBondContact O-CG2 3.22Å; D37-V41 PolarHBondContact O-N 3.34Å
38M88.3Confident76.7Confident69 Ų69105.2 Ų105.234%0.3456%0.556SS.*Hα-helixtrans-65.4-36.5177.8-68.9-5991.800113.8K34 T35 L40 V41 K42K34-M38 HydrophobicContact CG-CG 4.5Å; K34-M38 WeakPolarHBondContact O-CG 3.39Å; K34-M38 PolarHBondContact O-N 2.98Å; T35-M38 PolarHBondContact O-N 3.17Å; M38-L40 VanDerWaalsContact C-N 3.34Å; M38-V41 HydrophobicContact CE-CB 4.24Å; M38-V41 HydrophobicContact CE-CG2 3.88Å; M38-V41 PolarHBondContact O-N 2.88Å; M38-K42 WeakPolarHBondContact O-CB 3.46Å; M38-K42 VanDerWaalsContact O-CG 3.24Å; M38-K42 WeakPolarHBondContact O-CG 3.33Å; M38-K42 PolarHBondContact O-N 2.9Å
39E89.2Confident78.7Confident89 Ų89103.9 Ų103.942%0.41654%0.538SS..Hα-helixtrans-66-37.8174.6-71-58.3112.600111.8T35 D37 K42 R43T35-E39 WeakPolarHBondContact O-CG 3.34Å; T35-E39 PolarHBondContact O-N 2.88Å; D37-E39 PolarHBondContact O-N 2.92Å; E39-K42 IonicContact OE1-NZ 2.77Å; E39-K42 PolarHBondContact OE1-NZ 3.47Å; E39-R43 VanDerWaalsContact O-CG 3.26Å; E39-R43 WeakPolarHBondContact O-CG 3.4Å; E39-R43 PolarHBondContact O-N 3.41Å
40L89Confident80.7Confident93 Ų93108.4 Ų108.449%0.48754%0.543SS..Hα-helixtrans-68.7-40.9174.3-68.3175.3000112.5I36 D37 M38 R43 K44I36-L40 HydrophobicContact CG2-CD1 4.42Å; I36-L40 WeakPolarHBondContact O-CG 3.47Å; I36-L40 PolarHBondContact O-N 3.36Å; D37-L40 PolarHBondContact O-N 3.48Å; M38-L40 VanDerWaalsContact C-N 3.34Å; L40-R43 PolarHBondContact O-N 3.02Å; L40-K44 WeakPolarHBondContact O-CG 3.23Å; L40-K44 PolarHBondContact O-N 3.49Å
41V92.3Very high82.6Confident68 Ų68101.7 Ų101.741%0.41252%0.517SS..Hα-helixtrans-61.7-44.6174.8169.80000110.9D37 M38 R43 K44 R45D37-V41 WeakPolarHBondContact O-CG2 3.22Å; D37-V41 PolarHBondContact O-N 3.34Å; M38-V41 HydrophobicContact CE-CB 4.24Å; M38-V41 HydrophobicContact CE-CG2 3.88Å; M38-V41 PolarHBondContact O-N 2.88Å; V41-R43 PolarHBondContact O-N 3.34Å; V41-K44 PolarHBondContact O-N 3.41Å; V41-R45 WeakPolarHBondContact O-CB 3.38Å; V41-R45 PolarHBondContact O-N 3.02Å
42K93.9Very high84.8Confident115 Ų115102.1 Ų102.150%0.551%0.509SS..Hα-helixtrans-59.9-45.9175.2-73.4172.8-169.1170.20111.4M38 E39 R45 I46M38-K42 WeakPolarHBondContact O-CB 3.46Å; M38-K42 VanDerWaalsContact O-CG 3.24Å; M38-K42 WeakPolarHBondContact O-CG 3.33Å; M38-K42 PolarHBondContact O-N 2.9Å; E39-K42 IonicContact OE1-NZ 2.77Å; E39-K42 PolarHBondContact OE1-NZ 3.47Å; K42-R45 PolarHBondContact O-N 3.36Å; K42-I46 WeakPolarHBondContact O-CD1 3.45Å; K42-I46 VanDerWaalsContact O-CG1 3.25Å; K42-I46 WeakPolarHBondContact O-CG1 3.41Å; K42-I46 PolarHBondContact O-N 3.11Å
43R94.3Very high86.9Confident169 Ų169103 Ų10364%0.63851%0.51SS*.Hα-helixtrans-60.6-45.9177.2-72.7174.2-170.7-153.92.8112.2E39 L40 V41 R45 I46 E47E39-R43 VanDerWaalsContact O-CG 3.26Å; E39-R43 WeakPolarHBondContact O-CG 3.4Å; E39-R43 PolarHBondContact O-N 3.41Å; L40-R43 PolarHBondContact O-N 3.02Å; V41-R43 PolarHBondContact O-N 3.34Å; R43-R45 VanDerWaalsContact C-N 3.31Å; R43-R45 PolarHBondContact O-N 2.67Å; R43-I46 PolarHBondContact O-N 2.87Å; R43-E47 PolarHBondContact O-N 3.47Å; R43-E47 VanDerWaalsContact O-N 3.08Å
44K96.1Very high88.9Confident163 Ų16399.2 Ų99.271%0.70948%0.483SS*.Hα-helixtrans-60.3-41.7174.8-75-178.8176.6-1800111.8L40 V41 E47 A48L40-K44 WeakPolarHBondContact O-CG 3.23Å; L40-K44 PolarHBondContact O-N 3.49Å; V41-K44 PolarHBondContact O-N 3.41Å; K44-E47 PolarHBondContact O-N 3.43Å; K44-A48 WeakPolarHBondContact O-CB 3.43Å; K44-A48 PolarHBondContact O-N 3.19Å
45R97.2Very high90.9Very high171 Ų17194.5 Ų94.565%0.64547%0.468SS*.Hα-helixtrans-66.2-39177.2-170.7174.4-173.3-90.5-0.8112.1V41 K42 R43 A48 I49V41-R45 WeakPolarHBondContact O-CB 3.38Å; V41-R45 PolarHBondContact O-N 3.02Å; K42-R45 PolarHBondContact O-N 3.36Å; R43-R45 VanDerWaalsContact C-N 3.31Å; R43-R45 PolarHBondContact O-N 2.67Å; R45-A48 PolarHBondContact O-N 3.21Å; R45-I49 HydrophobicContact CG-CD1 3.78Å; R45-I49 HydrophobicContact CG-CG1 4.34Å; R45-I49 VanDerWaalsContact NH1-CD1 3.32Å; R45-I49 WeakPolarHBondContact O-CB 3.49Å; R45-I49 VanDerWaalsContact O-CG1 3.23Å; R45-I49 WeakPolarHBondContact O-CG1 3.25Å; R45-I49 PolarHBondContact O-N 3.34Å
46I97.1Very high92.7Very high113 Ų11394 Ų9458%0.57946%0.459SS*.Hα-helixtrans-60-48.1175-71.3159.9000110.2K42 R43 A48 I49 R50K42-I46 WeakPolarHBondContact O-CD1 3.45Å; K42-I46 VanDerWaalsContact O-CG1 3.25Å; K42-I46 WeakPolarHBondContact O-CG1 3.41Å; K42-I46 PolarHBondContact O-N 3.11Å; R43-I46 PolarHBondContact O-N 2.87Å; I46-A48 PolarHBondContact O-N 2.9Å; I46-I49 PolarHBondContact O-N 3.1Å; I46-R50 WeakPolarHBondContact O-CB 3.26Å; I46-R50 PolarHBondContact O-N 3.47Å
47E97.1Very high94.4Very high109 Ų10992.5 Ų92.551%0.50945%0.452SS..Hα-helixtrans-66.7-39-179.9-164.959.4-145.500112R43 K44 R50 G51R43-E47 PolarHBondContact O-N 3.47Å; R43-E47 VanDerWaalsContact O-N 3.08Å; K44-E47 PolarHBondContact O-N 3.43Å; E47-R50 WeakPolarHBondContact O-CB 3.45Å; E47-R50 PolarHBondContact O-N 3.49Å; E47-R50 IonicContact OE1-NH1 3.57Å; E47-R50 IonicContact OE2-NH1 3.79Å; E47-G51 PolarHBondContact O-N 2.84Å; E47-G51 VanDerWaalsContact O-N 3.1Å
48A97.1Very high95.2Very high64 Ų6497.2 Ų97.253%0.52946%0.463SS..Hα-helixtrans-62.1-45.4174.400000112K44 R45 I46 R50 G51 Q52K44-A48 WeakPolarHBondContact O-CB 3.43Å; K44-A48 PolarHBondContact O-N 3.19Å; R45-A48 PolarHBondContact O-N 3.21Å; I46-A48 PolarHBondContact O-N 2.9Å; A48-R50 VanDerWaalsContact C-N 3.33Å; A48-R50 PolarHBondContact O-N 3.18Å; A48-G51 PolarHBondContact O-N 3.45Å; A48-Q52 WeakPolarHBondContact O-CB 3.36Å; A48-Q52 PolarHBondContact O-N 2.87Å
49I97.6Very high95.5Very high52 Ų5297.3 Ų97.327%0.26747%0.465SS..Hα-helixtrans-65.8-37.7177.9-71.3170.9000111R45 I46 G51 Q52 I53R45-I49 HydrophobicContact CG-CD1 3.78Å; R45-I49 HydrophobicContact CG-CG1 4.34Å; R45-I49 VanDerWaalsContact NH1-CD1 3.32Å; R45-I49 WeakPolarHBondContact O-CB 3.49Å; R45-I49 VanDerWaalsContact O-CG1 3.23Å; R45-I49 WeakPolarHBondContact O-CG1 3.25Å; R45-I49 PolarHBondContact O-N 3.34Å; I46-I49 PolarHBondContact O-N 3.1Å; I49-G51 PolarHBondContact O-N 3.28Å; I49-Q52 WeakPolarHBondContact O-CB 3.33Å; I49-Q52 PolarHBondContact O-N 3.34Å; I49-I53 HydrophobicContact CG2-CD1 3.69Å; I49-I53 HydrophobicContact CG2-CG1 4.17Å; I49-I53 WeakPolarHBondContact O-CG1 3.34Å; I49-I53 PolarHBondContact O-N 2.88Å
50R97.1Very high95.7Very high131 Ų13198.1 Ų98.149%0.49449%0.487SS..Hα-helixtrans-57.7-49.1175.3-175.1-173.6-178-165.91.8111I46 E47 A48 Q52 I53 L54I46-R50 WeakPolarHBondContact O-CB 3.26Å; I46-R50 PolarHBondContact O-N 3.47Å; E47-R50 WeakPolarHBondContact O-CB 3.45Å; E47-R50 PolarHBondContact O-N 3.49Å; E47-R50 IonicContact OE1-NH1 3.57Å; E47-R50 IonicContact OE2-NH1 3.79Å; A48-R50 VanDerWaalsContact C-N 3.33Å; A48-R50 PolarHBondContact O-N 3.18Å; R50-Q52 VanDerWaalsContact C-N 3.33Å; R50-I53 PolarHBondContact O-N 2.97Å; R50-L54 HydrophobicContact CG-CD1 4.47Å; R50-L54 WeakPolarHBondContact O-CG 3.5Å; R50-L54 PolarHBondContact O-N 3.02Å; R50-L54 VanDerWaalsContact O-N 3.17Å
51G96.4Very high96Very high37 Ų3797.4 Ų97.438%0.38149%0.49SS..Hα-helixtrans-63.8-38.3175.100000112.7E47 A48 I49 S55E47-G51 PolarHBondContact O-N 2.84Å; E47-G51 VanDerWaalsContact O-N 3.1Å; A48-G51 PolarHBondContact O-N 3.45Å; I49-G51 PolarHBondContact O-N 3.28Å; G51-S55 VanDerWaalsContact O-CB 3.31Å; G51-S55 WeakPolarHBondContact O-CB 3.24Å; G51-S55 PolarHBondContact O-N 2.9Å; G51-S55 PolarHBondContact O-OG 2.88Å
52Q96.9Very high96Very high94 Ų9498.1 Ų98.144%0.43950%0.495SS..Hα-helixtrans-63.7-44177.2-171.9-179.7-3.600112.3A48 I49 R50 S55 K56A48-Q52 WeakPolarHBondContact O-CB 3.36Å; A48-Q52 PolarHBondContact O-N 2.87Å; I49-Q52 WeakPolarHBondContact O-CB 3.33Å; I49-Q52 PolarHBondContact O-N 3.34Å; R50-Q52 VanDerWaalsContact C-N 3.33Å; Q52-S55 WeakPolarHBondContact CA-OG 3.36Å; Q52-S55 PolarHBondContact O-OG 3.33Å; Q52-K56 HydrophobicContact CG-CD 4.35Å; Q52-K56 VanDerWaalsContact O-CB 3.3Å; Q52-K56 WeakPolarHBondContact O-CB 3.14Å; Q52-K56 VanDerWaalsContact O-CG 3.25Å; Q52-K56 WeakPolarHBondContact O-CG 3.03Å; Q52-K56 PolarHBondContact O-N 3.49Å
53I97Very high96Very high92 Ų9297.1 Ų97.147%0.47250%0.501SS..Hα-helixtrans-64.6-48178.3-68.1167.6000110.1I49 R50 S55 K56 L57I49-I53 HydrophobicContact CG2-CD1 3.69Å; I49-I53 HydrophobicContact CG2-CG1 4.17Å; I49-I53 WeakPolarHBondContact O-CG1 3.34Å; I49-I53 PolarHBondContact O-N 2.88Å; R50-I53 PolarHBondContact O-N 2.97Å; I53-S55 PolarHBondContact O-N 3.22Å; I53-K56 PolarHBondContact O-N 3.43Å; I53-L57 HydrophobicContact CG2-CD1 3.87Å; I53-L57 HydrophobicContact CG2-CG 4.49Å; I53-L57 WeakPolarHBondContact O-CB 3.43Å; I53-L57 WeakPolarHBondContact O-CG 3.27Å; I53-L57 PolarHBondContact O-N 3.41Å
54L97.3Very high95.8Very high30 Ų3094 Ų9416%0.15751%0.505CS..Hα-helixtrans-62.7-43.3-179.5-71.8177.6000112.3R50 L57 R58 L59R50-L54 HydrophobicContact CG-CD1 4.47Å; R50-L54 WeakPolarHBondContact O-CG 3.5Å; R50-L54 PolarHBondContact O-N 3.02Å; R50-L54 VanDerWaalsContact O-N 3.17Å; L54-L57 CarbonylContact O-C 3.56Å; L54-L57 PolarHBondContact O-N 3.08Å; L54-R58 PolarHBondContact O-N 3.26Å; L54-L59 WeakPolarHBondContact CB-O 3.35Å; L54-L59 HydrophobicContact CD2-CB 3.99Å; L54-L59 PolarHBondContact O-N 3.43Å
55S96.6Very high95.5Very high42 Ų4294 Ų9429%0.29451%0.508SS..Hα-helixtrans-66-41176.253.20000112.7G51 Q52 I53 L57 R58 Y103 Y104G51-S55 VanDerWaalsContact O-CB 3.31Å; G51-S55 WeakPolarHBondContact O-CB 3.24Å; G51-S55 PolarHBondContact O-N 2.9Å; G51-S55 PolarHBondContact O-OG 2.88Å; Q52-S55 WeakPolarHBondContact CA-OG 3.36Å; Q52-S55 PolarHBondContact O-OG 3.33Å; I53-S55 PolarHBondContact O-N 3.22Å; S55-L57 VanDerWaalsContact C-N 3.31Å; S55-L57 PolarHBondContact O-N 3.1Å; S55-R58 PolarHBondContact O-N 2.84Å; S55-Y103 PolarHBondContact OG-OH 2.88Å; S55-Y103 VanDerWaalsContact OG-OH 3.14Å; S55-Y104 WeakPolarHBondContact O-CD1 3.37Å; S55-Y104 WeakPolarHBondContact O-CE1 3.45Å
56K96.9Very high94.8Very high71 Ų7189.7 Ų89.731%0.30952%0.516SS..Hα-helixtrans-61.1-38.6173.9-79.1-173.5163.8-76.30112.6Q52 I53 R58 Y103 A105Q52-K56 HydrophobicContact CG-CD 4.35Å; Q52-K56 VanDerWaalsContact O-CB 3.3Å; Q52-K56 WeakPolarHBondContact O-CB 3.14Å; Q52-K56 VanDerWaalsContact O-CG 3.25Å; Q52-K56 WeakPolarHBondContact O-CG 3.03Å; Q52-K56 PolarHBondContact O-N 3.49Å; I53-K56 PolarHBondContact O-N 3.43Å; K56-R58 VanDerWaalsContact C-N 3.32Å; K56-Y103 WeakPolarHBondContact CG-O 3.17Å; K56-Y103 PolarHBondContact NZ-O 3.45Å; K56-A105 PolarHBondContact O-N 2.97Å
57L96.2Very high94.1Very high91 Ų9193.1 Ų93.148%0.47653%0.53SS..THydrogen-bonded Turntrans-84.2-3.3178-64.3176.1000113.8I53 L54 S55 L59 A105I53-L57 HydrophobicContact CG2-CD1 3.87Å; I53-L57 HydrophobicContact CG2-CG 4.49Å; I53-L57 WeakPolarHBondContact O-CB 3.43Å; I53-L57 WeakPolarHBondContact O-CG 3.27Å; I53-L57 PolarHBondContact O-N 3.41Å; L54-L57 CarbonylContact O-C 3.56Å; L54-L57 PolarHBondContact O-N 3.08Å; S55-L57 VanDerWaalsContact C-N 3.31Å; S55-L57 PolarHBondContact O-N 3.1Å; 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 4.16Å; L57-L59 PolarHBondContact O-N 3.32Å; L57-A105 HydrophobicContact CD2-CB 3.8Å
58R95.7Very high93.7Very high178 Ų17892.6 Ų92.667%0.67253%0.534SS*.THydrogen-bonded Turntrans57.635.9-174.1-57.1-179.8171.5173.6-2.5113.6L54 S55 K56 Y104L54-R58 PolarHBondContact O-N 3.26Å; S55-R58 PolarHBondContact O-N 2.84Å; 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 3.55Å; R58-Y104 HydrophobicContact CG-CG 4.32Å; R58-Y104 VanDerWaalsContact NE-CD1 3.28Å
59L95.1Very high93.3Very high71 Ų7194.6 Ų94.637%0.37254%0.541SS..  trans-106.7136.6178.2-62.3177.1000110.4L54 L57L54-L59 WeakPolarHBondContact CB-O 3.35Å; L54-L59 HydrophobicContact CD2-CB 3.99Å; L54-L59 PolarHBondContact O-N 3.43Å; 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 4.16Å; L57-L59 PolarHBondContact O-N 3.32Å
60A93.8Very high92.9Very high107 Ų10798.5 Ų98.588%0.88457%0.57SS**SBendtrans-78.9-30.5173.100000112.2
61S93.5Very high92.5Very high78 Ų7895.1 Ų95.155%0.54558%0.576SS.*SBendtrans-147.6160.6-18059.50000110.6
62P93.9Very high92.3Very high82 Ų8299.6 Ų99.653%0.53260%0.598SS.*PPolyproline II helixtrans-55.8137.7172.5-23.734.3000111.4
63P92.6Very high92.2Very high95 Ų95100.2 Ų100.262%0.61760%0.604SS**PPolyproline II helixtrans-71.7153.6178.430-33.1000111
64S91.3Very high92.1Very high104 Ų10499.9 Ų99.973%0.72761%0.608SS**PPolyproline II helixtrans-67.3132.1175.650.40000111.1G66S64-G66 VanDerWaalsContact C-N 3.34Å
65Q88.8Confident91.9Very high163 Ų163106.4 Ų106.476%0.76264%0.637SS**  trans-89.33.8177.6-65.3-173.9-16.200113.8E67 V68Q65-E67 PolarHBondContact O-N 2.92Å; Q65-V68 HydrophobicContact CB-CG2 4.39Å; Q65-V68 WeakPolarHBondContact O-CB 3.38Å; Q65-V68 PolarHBondContact O-N 3.22Å; Q65-V68 VanDerWaalsContact O-N 3.1Å
66G82.1Confident91.7Very high80 Ų80107.1 Ų107.183%0.82565%0.646SS**THydrogen-bonded Turntrans-63.5-24-173.100000115S64S64-G66 VanDerWaalsContact C-N 3.34Å
67E83.4Confident91.6Very high184 Ų184107.1 Ų107.186%0.8665%0.652SS**THydrogen-bonded Turntrans-96.3-3178.8-65178.9179.300113.1Q65 P69Q65-E67 PolarHBondContact O-N 2.92Å; E67-P69 WeakPolarHBondContact O-CD 3.28Å
68V88.6Confident91.6Very high98 Ų98106.5 Ų106.559%0.59465%0.649SS**SBendtrans-77121.2-178.7-1790000108.5Q65Q65-V68 HydrophobicContact CB-CG2 4.39Å; Q65-V68 WeakPolarHBondContact O-CB 3.38Å; Q65-V68 PolarHBondContact O-N 3.22Å; Q65-V68 VanDerWaalsContact O-N 3.1Å
69P88.9Confident91.4Very high106 Ų10699.5 Ų99.569%0.68863%0.629SS**PPolyproline II helixtrans-63.4132.4179.825.1-33.4000110.3E67E67-P69 WeakPolarHBondContact O-CD 3.28Å
70P88.4Confident91.5Very high135 Ų13597.8 Ų97.888%0.87762%0.62SS**SBendtrans-70.5136174.829.6-33.4000109.5
71G89.3Confident91.5Very high59 Ų5999.6 Ų99.661%0.60861%0.605SS**SBendtrans136.6-172.3176.100000113.8
72P92.6Very high91.5Very high132 Ų13299.2 Ų99.286%0.85760%0.597SS**PPolyproline II helixtrans-66.2146.2176.528.2-33.3000111
73L93.8Very high91.4Very high107 Ų10797.7 Ų97.756%0.5659%0.588SS**PPolyproline II helixtrans-65.3148.5173.7-81.776.6000110.3E75 V77 L78L73-E75 PolarHBondContact O-N 2.87Å; L73-V77 HydrophobicContact CD2-CG1 4.07Å; L73-L78 HydrophobicContact CB-CD2 4.14Å; L73-L78 HydrophobicContact CB-CG 4.12Å
74P94.7Very high91.3Very high85 Ų8595.5 Ų95.555%0.55257%0.573SS**PPolyproline II helixtrans-56.2139.3174.1-23.433000112A76 V77 L78P74-A76 PolarHBondContact O-N 2.91Å; P74-A76 VanDerWaalsContact O-N 3.16Å; P74-V77 HydrophobicContact CB-CG2 4.2Å; P74-V77 HydrophobicContact CG-CG2 4.33Å; P74-V77 WeakPolarHBondContact O-CB 3.21Å; P74-V77 PolarHBondContact O-N 3.48Å; P74-L78 PolarHBondContact O-N 3.42Å; P74-L78 VanDerWaalsContact O-N 3.15Å
75E94.3Very high91.3Very high166 Ų16697 Ų9778%0.77656%0.563SS**Hα-helixtrans-55.9-36.6-178.6-172.7-176.4-17700112.3L73 V77 L78 A79L73-E75 PolarHBondContact O-N 2.87Å; E75-V77 VanDerWaalsContact C-N 3.29Å; E75-V77 PolarHBondContact O-N 3.03Å; E75-L78 PolarHBondContact O-N 2.86Å; E75-A79 WeakPolarHBondContact O-CB 3.33Å; E75-A79 PolarHBondContact O-N 3.36Å
76A92.8Very high91.2Very high58 Ų5893.2 Ų93.248%0.47955%0.548SS..Hα-helixtrans-59.5-38176.400000113P74 L80P74-A76 PolarHBondContact O-N 2.91Å; P74-A76 VanDerWaalsContact O-N 3.16Å; A76-L80 WeakPolarHBondContact O-CB 3.46Å; A76-L80 PolarHBondContact O-N 3.42Å; A76-L80 VanDerWaalsContact O-N 3.11Å
77V94.4Very high91.2Very high71 Ų7197.9 Ų97.943%0.4354%0.541SS..Hα-helixtrans-72-43.2177.41790000110.2L73 P74 E75 A79 L80 Y81L73-V77 HydrophobicContact CD2-CG1 4.07Å; P74-V77 HydrophobicContact CB-CG2 4.2Å; P74-V77 HydrophobicContact CG-CG2 4.33Å; P74-V77 WeakPolarHBondContact O-CB 3.21Å; P74-V77 PolarHBondContact O-N 3.48Å; E75-V77 VanDerWaalsContact C-N 3.29Å; E75-V77 PolarHBondContact O-N 3.03Å; V77-A79 PolarHBondContact O-N 3.21Å; V77-L80 PolarHBondContact O-N 3.18Å; V77-Y81 WeakPolarHBondContact O-CB 3.39Å; V77-Y81 PolarHBondContact O-N 3.06Å
78L94.9Very high90.9Very high77 Ų7794.4 Ų94.440%0.40353%0.531SS..Hα-helixtrans-61.4-44.8176.5-68.5174000111.7L73 P74 E75 L80 Y81 N82L73-L78 HydrophobicContact CB-CD2 4.14Å; L73-L78 HydrophobicContact CB-CG 4.12Å; P74-L78 PolarHBondContact O-N 3.42Å; P74-L78 VanDerWaalsContact O-N 3.15Å; E75-L78 PolarHBondContact O-N 2.86Å; L78-L80 VanDerWaalsContact C-N 3.34Å; L78-L80 PolarHBondContact O-N 2.77Å; L78-Y81 PolarHBondContact O-N 3.33Å; L78-N82 WeakPolarHBondContact O-CB 2.94Å; L78-N82 PolarHBondContact O-N 3.49Å; L78-N82 PolarHBondContact O-ND2 3.46Å
79A93.5Very high90.2Very high31 Ų3193.6 Ų93.626%0.25654%0.535SS..Hα-helixtrans-65.2-38.5178.700000112E75 V77 S83E75-A79 WeakPolarHBondContact O-CB 3.33Å; E75-A79 PolarHBondContact O-N 3.36Å; V77-A79 PolarHBondContact O-N 3.21Å; A79-S83 PolarHBondContact O-N 2.94Å; A79-S83 PolarHBondContact O-OG 2.97Å
80L95.2Very high89Confident35 Ų3591.4 Ų91.418%0.18353%0.532CS..Hα-helixtrans-64.5-46.6173.8-177.661000111.9A76 V77 L78 N82 S83 T84 V108 R110A76-L80 WeakPolarHBondContact O-CB 3.46Å; A76-L80 PolarHBondContact O-N 3.42Å; A76-L80 VanDerWaalsContact O-N 3.11Å; V77-L80 PolarHBondContact O-N 3.18Å; L78-L80 VanDerWaalsContact C-N 3.34Å; L78-L80 PolarHBondContact O-N 2.77Å; L80-N82 PolarHBondContact O-N 3.36Å; L80-S83 PolarHBondContact O-N 2.68Å; L80-S83 PolarHBondContact O-OG 2.79Å; L80-T84 PolarHBondContact O-N 2.96Å; L80-T84 PolarHBondContact O-OG1 2.92Å; L80-V108 HydrophobicContact CD1-CG1 3.97Å; L80-V108 WeakPolarHBondContact CD2-O 3.42Å; L80-V108 HydrophobicContact CG-CG1 4.41Å; L80-R110 HydrophobicContact CD1-CB 3.79Å; L80-R110 HydrophobicContact CD1-CG 3.88Å
81Y94.9Very high87.5Confident146 Ų14691 Ų9157%0.57352%0.518SS*.Hα-helixtrans-59.1-47.5176.1175-98.4000111.7V77 L78 S83 T84 R85V77-Y81 WeakPolarHBondContact O-CB 3.39Å; V77-Y81 PolarHBondContact O-N 3.06Å; L78-Y81 PolarHBondContact O-N 3.33Å; Y81-S83 PolarHBondContact O-N 3.06Å; Y81-T84 PolarHBondContact O-N 3.12Å; Y81-T84 VanDerWaalsContact O-N 3.15Å; Y81-R85 WeakPolarHBondContact O-CB 3.41Å; Y81-R85 PolarHBondContact O-N 3.39Å
82N93.8Very high85.8Confident69 Ų6993.8 Ų93.837%0.36953%0.528SS..Hα-helixtrans-60.5-46.2178.5-71.2-16.8000111.2L78 L80 T84 R85 D86L78-N82 WeakPolarHBondContact O-CB 2.94Å; L78-N82 PolarHBondContact O-N 3.49Å; L78-N82 PolarHBondContact O-ND2 3.46Å; L80-N82 PolarHBondContact O-N 3.36Å; N82-T84 VanDerWaalsContact C-N 3.26Å; N82-T84 PolarHBondContact O-N 2.72Å; N82-R85 PolarHBondContact O-N 3.43Å; N82-D86 WeakPolarHBondContact O-CB 3.38Å; N82-D86 PolarHBondContact O-N 3.47Å
83S91.6Very high84Confident51 Ų5191.4 Ų91.436%0.35752%0.52SS..Hα-helixtrans-60.6-35176.367.30000113.2A79 L80 Y81 R87A79-S83 PolarHBondContact O-N 2.94Å; A79-S83 PolarHBondContact O-OG 2.97Å; L80-S83 PolarHBondContact O-N 2.68Å; L80-S83 PolarHBondContact O-OG 2.79Å; Y81-S83 PolarHBondContact O-N 3.06Å; S83-R87 WeakPolarHBondContact O-CG 3.4Å; S83-R87 PolarHBondContact O-N 3.23Å
84T91.2Very high81.9Confident49 Ų4993.8 Ų93.830%0.30153%0.528SS..Hα-helixtrans-72.2-46178.8-53.20000110.5L80 Y81 N82 D86 R87 V88L80-T84 PolarHBondContact O-N 2.96Å; L80-T84 PolarHBondContact O-OG1 2.92Å; Y81-T84 PolarHBondContact O-N 3.12Å; Y81-T84 VanDerWaalsContact O-N 3.15Å; N82-T84 VanDerWaalsContact C-N 3.26Å; N82-T84 PolarHBondContact O-N 2.72Å; T84-D86 VanDerWaalsContact C-N 3.34Å; T84-D86 PolarHBondContact O-N 2.92Å; T84-R87 PolarHBondContact O-N 2.81Å; T84-V88 WeakPolarHBondContact O-CG2 3.26Å; T84-V88 PolarHBondContact O-N 2.93Å; T84-V88 VanDerWaalsContact O-N 3.11Å
85R89.9Confident80Confident135 Ų13595.5 Ų95.551%0.50954%0.54SS..Hα-helixtrans-61.3-43.9178.2-173.2-164.969157.50.7111.3Y81 N82 V88 A89Y81-R85 WeakPolarHBondContact O-CB 3.41Å; Y81-R85 PolarHBondContact O-N 3.39Å; N82-R85 PolarHBondContact O-N 3.43Å; R85-V88 PolarHBondContact O-N 3.43Å; R85-A89 VanDerWaalsContact O-CB 3.27Å; R85-A89 WeakPolarHBondContact O-CB 3.31Å; R85-A89 PolarHBondContact O-N 2.83Å
86D87.8Confident78.2Confident83 Ų8394.8 Ų94.844%0.44454%0.536SS..Hα-helixtrans-70.9-33-176.1-62.7-13.5000111.5N82 T84 G90N82-D86 WeakPolarHBondContact O-CB 3.38Å; N82-D86 PolarHBondContact O-N 3.47Å; T84-D86 VanDerWaalsContact C-N 3.34Å; T84-D86 PolarHBondContact O-N 2.92Å; D86-G90 PolarHBondContact O-N 2.93Å
87R82.1Confident76.4Confident179 Ų17997.7 Ų97.768%0.67555%0.55SS**Hα-helixtrans-61-54.5168.5-72.8172.871109.96.3111.2S83 T84 A89 G90 E91S83-R87 WeakPolarHBondContact O-CG 3.4Å; S83-R87 PolarHBondContact O-N 3.23Å; T84-R87 PolarHBondContact O-N 2.81Å; R87-A89 PolarHBondContact O-N 3.25Å; R87-G90 PolarHBondContact O-N 3.5Å; R87-G90 VanDerWaalsContact O-N 3.1Å; R87-E91 WeakPolarHBondContact O-CB 3.24Å; R87-E91 PolarHBondContact O-N 3.49Å
88V75.6Confident74.8Confident110 Ų110101.8 Ų101.867%0.66757%0.565SS**Hα-helixtrans-60.3-33.1179.7174.90000112.5T84 R85T84-V88 WeakPolarHBondContact O-CG2 3.26Å; T84-V88 PolarHBondContact O-N 2.93Å; T84-V88 VanDerWaalsContact O-N 3.11Å; R85-V88 PolarHBondContact O-N 3.43Å
89A75Confident73.4Confident81 Ų81103.4 Ų103.467%0.66958%0.58SS**Hα-helixtrans-81-29.2177.500000113.5R85 R87R85-A89 VanDerWaalsContact O-CB 3.27Å; R85-A89 WeakPolarHBondContact O-CB 3.31Å; R85-A89 PolarHBondContact O-N 2.83Å; R87-A89 PolarHBondContact O-N 3.25Å
90G62.7Low72.3Confident61 Ų61111 Ų11163%0.62961%0.61SS**Hα-helixtrans-84.7-16.6179.600000114.3D86 R87 S92D86-G90 PolarHBondContact O-N 2.93Å; R87-G90 PolarHBondContact O-N 3.5Å; R87-G90 VanDerWaalsContact O-N 3.1Å; G90-S92 PolarHBondContact O-N 3.32Å
91E57Low71.3Confident126 Ų126113.6 Ų113.659%0.58964%0.636SS**  trans-78.160.1-179.2-132.3143.4163.200112.6R87R87-E91 WeakPolarHBondContact O-CB 3.24Å; R87-E91 PolarHBondContact O-N 3.49Å
92S54.5Low70.8Confident117 Ų117111.5 Ų111.582%0.81864%0.635SS**  trans-99.88.1167.1-164.80000113.2G90G90-S92 PolarHBondContact O-N 3.32Å
93A54Low70.7Confident82 Ų82114.2 Ų114.268%0.67864%0.641SS**SBendtrans-145.9126.1-178.900000111
94E50.9Low70.8Confident157 Ų157116.7 Ų116.773%0.73464%0.643SS**  trans75.795.1-179.1-60.4-60.412600115.6E96E94-E96 VanDerWaalsContact C-N 3.3Å; E94-E96 PolarHBondContact O-N 2.94Å
95P54.7Low70.8Confident122 Ų122117.2 Ų117.279%0.79265%0.653SS**  trans-68.795.1160.630.2-28.5000107.4
96E56.4Low70.9Confident150 Ų150117.8 Ų117.870%0.70166%0.659SS**  trans-48.4139.6155.4-91.6-79.8146.800107.6E94 E98E94-E96 VanDerWaalsContact C-N 3.3Å; E94-E96 PolarHBondContact O-N 2.94Å; E96-E98 PolarHBondContact O-N 2.82Å
97P54.8Low71.1Confident120 Ų120122.3 Ų122.378%0.77968%0.677SS**  trans-69.570.4176.729.5-33.8000109.4
98E59.4Low71.6Confident156 Ų156117.5 Ų117.573%0.72967%0.668SS**  trans-70134.8171.3-77.9-140.8146.900108.5E96E96-E98 PolarHBondContact O-N 2.82Å
99P67.3Low72.4Confident112 Ų112117.3 Ų117.373%0.72767%0.667SS**  trans-56.1151.8168.526.7-33.9000109.6A101P99-A101 PolarHBondContact O-N 3.12Å
100E70.6Confident73.1Confident190 Ų190118.9 Ų118.989%0.88866%0.656SS**  trans-43.7117.3177.9-64.3180-178.900110.6D102E100-D102 PolarHBondContact O-N 2.85Å
101A72.4Confident74.5Confident89 Ų89122.6 Ų122.674%0.73667%0.666SS**  trans-58.3128.5-174.900000110.6P99 Y103P99-A101 PolarHBondContact O-N 3.12Å; A101-Y103 PolarHBondContact O-N 3.49Å
102D85.4Confident76Confident103 Ų103123.2 Ų123.255%0.55167%0.672SS**  trans-53136.9178.6-64.9-59.7000111E100 Y104 K106E100-D102 PolarHBondContact O-N 2.85Å; D102-Y104 PolarHBondContact O-N 3.32Å; D102-K106 WeakPolarHBondContact OD2-CE 3.4Å; D102-K106 IonicContact OD2-NZ 2.77Å; D102-K106 PolarHBondContact OD2-NZ 3.16Å
103Y90.7Very high77.7Confident125 Ų125126.8 Ų126.849%0.4968%0.678SS.*SBendtrans-57.8-35-178.3176.7-101.4000112.9S55 K56 A101S55-Y103 PolarHBondContact OG-OH 2.88Å; S55-Y103 VanDerWaalsContact OG-OH 3.14Å; K56-Y103 WeakPolarHBondContact CG-O 3.17Å; K56-Y103 PolarHBondContact NZ-O 3.45Å; A101-Y103 PolarHBondContact O-N 3.49Å
104Y93.9Very high79.5Confident104 Ų104129.6 Ų129.641%0.40869%0.687SS.*SBendtrans-81.7152.8-176.4-64.8-73000113S55 R58 D102S55-Y104 WeakPolarHBondContact O-CD1 3.37Å; S55-Y104 WeakPolarHBondContact O-CE1 3.45Å; R58-Y104 HydrophobicContact CG-CD1 3.42Å; R58-Y104 VanDerWaalsContact CG-CD1 3.42Å; R58-Y104 HydrophobicContact CG-CE1 3.55Å; R58-Y104 HydrophobicContact CG-CG 4.32Å; R58-Y104 VanDerWaalsContact NE-CD1 3.28Å; D102-Y104 PolarHBondContact O-N 3.32Å
105A91.9Very high81.1Confident60 Ų60130.6 Ų130.650%0.49669%0.691SS.*  trans-64144.4174.600000111.3K56 L57K56-A105 PolarHBondContact O-N 2.97Å; L57-A105 HydrophobicContact CD2-CB 3.8Å
106K92.4Very high82.3Confident147 Ų147130.3 Ų130.364%0.63969%0.688SS**  trans-106.9139.9172.9-64.5-175179.6-177.80109.4D102D102-K106 WeakPolarHBondContact OD2-CE 3.4Å; D102-K106 IonicContact OD2-NZ 2.77Å; D102-K106 PolarHBondContact OD2-NZ 3.16Å
107E91.6Very high82.7Confident177 Ų177131 Ų13183%0.82769%0.691SS**  trans-72.2134.5169.9-173.4175.7178.400109.2T109E107-T109 HydrophobicContact CG-CG2 4.42Å
108V92.7Very high82.9Confident78 Ų78132.6 Ų132.647%0.47369%0.692SS.*  trans-106.6128.6179.6-173.20000108L80L80-V108 HydrophobicContact CD1-CG1 3.97Å; L80-V108 WeakPolarHBondContact CD2-O 3.42Å; L80-V108 HydrophobicContact CG-CG1 4.41Å
109T92.1Very high82.3Confident107 Ų107127.9 Ų127.966%0.65669%0.686SS**  trans-135.6147.4176.2550000109.6E107E107-T109 HydrophobicContact CG-CG2 4.42Å
110R89.7Confident81.4Confident114 Ų114132 Ų13243%0.4370%0.696SS.*  trans-117.4142.3175.365.6179.8-173.51686.4111.3L80L80-R110 HydrophobicContact CD1-CB 3.79Å; L80-R110 HydrophobicContact CD1-CG 3.88Å
111V91.3Very high80.2Confident139 Ų139131.2 Ų131.284%0.84270%0.696SS**  trans-118.6128.5172.8-176.60000107.7
112L88.6Confident78.7Confident139 Ų139130.7 Ų130.773%0.72870%0.7SS**PPolyproline II helixtrans-85.4147.5178.1-59.2178.7000109.9
113M91Very high76.3Confident191 Ų191129.5 Ų129.594%0.94171%0.712SS**PPolyproline II helixtrans-71.4154.3174-65.1-178.1174.700110.6
114V91.1Very high74.2Confident141 Ų141128.6 Ų128.686%0.85573%0.73SS**PPolyproline II helixtrans-66.6137.1174.8-179.80000109.4T116V114-T116 PolarHBondContact O-N 3.34Å
115E85.4Confident71.8Confident178 Ų178127 Ų12783%0.83275%0.746SS**PPolyproline II helixtrans-69.9125.6-179-168153.5-158.400111.3H117E115-H117 PolarHBondContact O-N 2.96Å
116T79.7Confident69.5Low116 Ų116132.8 Ų132.871%0.71276%0.763SS**  trans-76.3102.7174.5-450000108.4V114 N118V114-T116 PolarHBondContact O-N 3.34Å; T116-N118 PolarHBondContact O-N 3.32Å
117H65.4Low67.6Low166 Ų166131.4 Ų131.477%0.76977%0.769SS**  trans-68.795.5166.864.3-76.8000108.3E115 G119E115-H117 PolarHBondContact O-N 2.96Å; H117-G119 VanDerWaalsContact C-N 3.31Å; H117-G119 PolarHBondContact O-N 3.47Å
118N58.6Low65.3Low152 Ų152126.8 Ų126.881%0.81377%0.768SS**  trans-70.2100.1161-88.87.3000106.4T116 E120T116-N118 PolarHBondContact O-N 3.32Å; N118-E120 PolarHBondContact O-N 2.95Å
119G46.9Very low62.9Low58 Ų58126.6 Ų126.660%0.59878%0.782SS**  trans-51.4121.7-179.700000111.4H117 L121H117-G119 VanDerWaalsContact C-N 3.31Å; H117-G119 PolarHBondContact O-N 3.47Å; G119-L121 VanDerWaalsContact C-N 3.31Å; G119-L121 PolarHBondContact O-N 3.41Å
120E48.3Very low60.6Low198 Ų198125 Ų12593%0.92579%0.787SS**  trans-59.792.9162.1-169.8150.3101.900108.7N118N118-E120 PolarHBondContact O-N 2.95Å
121L45.4Very low59Low173 Ų173125.4 Ų125.491%0.90680%0.804SS**  trans-99.9105.7160.3-95.8146.9000106.7G119G119-L121 VanDerWaalsContact C-N 3.31Å; G119-L121 PolarHBondContact O-N 3.41Å
122G41.7Very low57Low78 Ų78124.8 Ų124.880%0.80480%0.803SS**  trans-56.5151.7-176.300000114.8
123G34.8Very low54.9Low78 Ų78122.3 Ų122.380%0.80481%0.811SS**  trans-166.1102.5168.100000108.9
124A45.6Very low52.6Low106 Ų106117 Ų11788%0.87681%0.805SS**  trans-58.3141.4177.200000112.8
125G43.1Very low50.5Low72 Ų72115.4 Ų115.474%0.74281%0.807SS**  trans81.5107.6146.900000118.5
126E43.5Very low48.5Very low181 Ų181110.6 Ų110.685%0.84681%0.805SS**  177130125.7-97.7-97.192.100110.8G128E126-G128 PolarHBondContact O-N 2.9Å
127P52.6Low47.4Very low118 Ų118111.5 Ų111.577%0.76681%0.81SS**  trans-84.697.3170.732.5-28.4000110.2G129P127-G129 PolarHBondContact O-N 3.46Å
128G43.4Very low46.9Very low79 Ų79109.8 Ų109.881%0.81481%0.814SS**  trans-71108174.100000111.9E126E126-G128 PolarHBondContact O-N 2.9Å
129G42.1Very low46.6Very low75 Ų75105.7 Ų105.777%0.77381%0.807SS**PPolyproline II helixtrans-58.9144.4-177.500000115.3P127P127-G129 PolarHBondContact O-N 3.46Å
130G44.1Very low47.1Very low72 Ų72108.7 Ų108.774%0.74282%0.817SS**PPolyproline II helixtrans-70146165.500000111.3
131P56.2Low47.3Very low123 Ų123111.3 Ų111.380%0.79982%0.818SS**PPolyproline II helixtrans-75.9147.3172.329-30.7000111.4
132P49.9Very low48Very low127 Ų127109.8 Ų109.883%0.82582%0.816SS**PPolyproline II helixtrans-73155.2-178.730.6-34.9000112.7
133G43.2Very low48.5Very low87 Ų87113.1 Ų113.190%0.89785%0.85SS**PPolyproline II helixtrans-59.4150.1-17600000115.7
134G43.4Very low49.2Very low79 Ų79114.9 Ų114.981%0.81485%0.852SS**  trans-115.6128.9166.900000110.2
135A47.8Very low49.4Very low107 Ų107115.4 Ų115.488%0.88485%0.851SS**  trans-59.1155.8-177.500000114.4
136G43.5Very low49.8Very low77 Ų77117.8 Ų117.879%0.79486%0.857SS**  trans-72165-173.900000116.7
137V55.1Low50.1Low136 Ų136114.1 Ų114.182%0.82486%0.858SS**  trans-142.7126.1156.7-176.90000107.7
138P56.2Low50Low129 Ų129113.8 Ų113.884%0.83886%0.863SS**PPolyproline II helixtrans-79.5127.2175.229.9-31000111.4
139G52.3Low50.4Low66 Ų66116.1 Ų116.168%0.6887%0.867SS**PPolyproline II helixtrans-79.8158.1170.800000112.9
140P57.3Low51Low122 Ų122119.1 Ų119.179%0.79287%0.873SS**PPolyproline II helixtrans-78.6143.9-159.931.4-33.6000113.2V142P140-V142 PolarHBondContact O-N 2.99Å
141R52.2Low51.5Low252 Ų252122.7 Ų122.795%0.95188%0.883SS**PPolyproline II helixtrans-66125.1164.2-68.9-176.7-171.7-140.11.3108.7
142V61.1Low51.1Low142 Ų142122.7 Ų122.786%0.86189%0.89SS**PPolyproline II helixtrans-97.4129163.3-162.50000106.4P140P140-V142 PolarHBondContact O-N 2.99Å
143G51.9Low51.3Low148 Ų148122.3 Ų122.3100%1.52690%0.896SS**  trans-76.30-171.800000115.3

Retrieved 143 of 143 residues in 45.4 ms (Link to these results)