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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 A0A078BC11, 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
1M53.7Low61.5Low234 Ų234121 Ų121100%1.15367%0.672SS**  0104.10-63.3165.8100.100106.9
2P54.1Low62.5Low102 Ų102119.3 Ų119.366%0.66266%0.66SS**  trans-70.6141.3-178.529-32.6000109.9S4P2-S4 PolarHBondContact O-N 3.14Å
3P57.9Low63.6Low95 Ų95118.8 Ų118.862%0.61766%0.655SS**  trans-64.4129.1-175.726.3-33.3000110.2G5 L6P3-G5 PolarHBondContact O-N 2.98Å; P3-L6 HydrophobicContact CG-CD1 4.26Å; P3-L6 PolarHBondContact O-N 3.23Å
4S61.3Low64.4Low102 Ų102115.1 Ų115.171%0.71364%0.639SS**THydrogen-bonded Turntrans-56.3-9.7-172.4-48.50000115.5P2P2-S4 PolarHBondContact O-N 3.14Å
5G61.2Low64.9Low52 Ų52114.8 Ų114.854%0.53664%0.635SS.*THydrogen-bonded Turntrans-71.5-30.9176.700000114.7P3 R7P3-G5 PolarHBondContact O-N 2.98Å; G5-R7 VanDerWaalsContact C-N 3.3Å; G5-R7 PolarHBondContact O-N 3Å
6L59.3Low65.5Low128 Ų128114.4 Ų114.467%0.6763%0.631SS**THydrogen-bonded Turntrans-75.7-16.8-178-91.189.5000113.8P3 L8 P10P3-L6 HydrophobicContact CG-CD1 4.26Å; P3-L6 PolarHBondContact O-N 3.23Å; L6-L8 VanDerWaalsContact C-N 3.34Å; L6-P10 WeakPolarHBondContact O-CD 3.46Å
7R63.7Low66.1Low207 Ų207117.8 Ų117.878%0.78163%0.632SS**THydrogen-bonded Turntrans-76.6-22.2179.4-72.9-101.6170.5141.6-5.5113G5 P10G5-R7 VanDerWaalsContact C-N 3.3Å; G5-R7 PolarHBondContact O-N 3Å; R7-P10 WeakPolarHBondContact O-CD 3.46Å
8L62.2Low66.4Low98 Ų98117.2 Ų117.251%0.51363%0.628SS.*THydrogen-bonded Turntrans-87.1-20.4177.1-80.3140.8000112.6L6 L11 L12L6-L8 VanDerWaalsContact C-N 3.34Å; L8-L11 WeakPolarHBondContact O-CB 3.02Å; L8-L11 PolarHBondContact O-N 3.4Å; L8-L12 HydrophobicContact CB-CD1 4.13Å; L8-L12 WeakPolarHBondContact O-CG 3.49Å; L8-L12 PolarHBondContact O-N 3.2Å
9L67.1Low66.6Low101 Ų101117.6 Ų117.653%0.52963%0.629SS.*Hα-helixtrans-55.9-44.7180-158.7122.1000114.2L11 L12 L13L9-L11 PolarHBondContact O-N 2.93Å; L9-L12 PolarHBondContact O-N 3.09Å; L9-L13 HydrophobicContact CD2-CD1 4.13Å; L9-L13 PolarHBondContact O-N 2.78Å; L9-L13 VanDerWaalsContact O-N 3.09Å
10P69.1Low66.8Low89 Ų89117.3 Ų117.358%0.57863%0.632SS**Hα-helixtrans-72.2-12.9176.529.8-36.7000113.8L6 R7 P14L6-P10 WeakPolarHBondContact O-CD 3.46Å; R7-P10 WeakPolarHBondContact O-CD 3.46Å; P10-P14 WeakPolarHBondContact O-CD 3.3Å; P10-P14 VanDerWaalsContact O-CG 3.26Å; P10-P14 WeakPolarHBondContact O-CG 3.41Å
11L67.4Low66.7Low123 Ų123116.9 Ų116.964%0.64463%0.629SS**Hα-helixtrans-91.7-33.5174-16387.3000111.4L8 L9 P14 L15L8-L11 WeakPolarHBondContact O-CB 3.02Å; L8-L11 PolarHBondContact O-N 3.4Å; L9-L11 PolarHBondContact O-N 2.93Å; L11-P14 WeakPolarHBondContact O-CD 3.46Å; L11-P14 WeakPolarHBondContact O-CG 3.39Å; L11-L15 WeakPolarHBondContact O-CB 3.45Å; L11-L15 PolarHBondContact O-N 3.29Å
12L73Confident67.3Low100 Ų100109.1 Ų109.152%0.52459%0.594SS.*Hα-helixtrans-72.6-36.5177.7-74.6163.5000112.2L8 L9 L15 L16L8-L12 HydrophobicContact CB-CD1 4.13Å; L8-L12 WeakPolarHBondContact O-CG 3.49Å; L8-L12 PolarHBondContact O-N 3.2Å; L9-L12 PolarHBondContact O-N 3.09Å; L12-L15 PolarHBondContact O-N 2.91Å; L12-L16 VanDerWaalsContact O-CB 3.27Å; L12-L16 WeakPolarHBondContact O-CB 3.42Å; L12-L16 PolarHBondContact O-N 3.3Å
13L76.8Confident67.5Low114 Ų114109.6 Ų109.660%0.59760%0.598SS**Hα-helixtrans-59.5-50.5178.1-122.6115000113.9L9 L15 L16 W17L9-L13 HydrophobicContact CD2-CD1 4.13Å; L9-L13 PolarHBondContact O-N 2.78Å; L9-L13 VanDerWaalsContact O-N 3.09Å; L13-L15 VanDerWaalsContact C-N 3.33Å; L13-L16 PolarHBondContact O-N 2.89Å; L13-W17 WeakPolarHBondContact O-CB 3.38Å; L13-W17 PolarHBondContact O-N 3.33Å
14P74.9Confident67.5Low67 Ų67108.3 Ų108.344%0.43560%0.602SS.*Hα-helixtrans-70.2-29.6176.726.7-34.1000112.1P10 L11 L18P10-P14 WeakPolarHBondContact O-CD 3.3Å; P10-P14 VanDerWaalsContact O-CG 3.26Å; P10-P14 WeakPolarHBondContact O-CG 3.41Å; L11-P14 WeakPolarHBondContact O-CD 3.46Å; L11-P14 WeakPolarHBondContact O-CG 3.39Å; P14-L18 WeakPolarHBondContact O-CB 3.24Å; P14-L18 PolarHBondContact O-N 2.98Å
15L71.8Confident67.4Low110 Ų110114.7 Ų114.758%0.57661%0.61SS**Hα-helixtrans-67.8-42.3174.5-174.266.8000111.6L11 L12 L13 L18 L19L11-L15 WeakPolarHBondContact O-CB 3.45Å; L11-L15 PolarHBondContact O-N 3.29Å; L12-L15 PolarHBondContact O-N 2.91Å; L13-L15 VanDerWaalsContact C-N 3.33Å; L15-L18 PolarHBondContact O-N 3.32Å; L15-L19 WeakPolarHBondContact O-CB 3.44Å; L15-L19 PolarHBondContact O-N 3.48Å
16L74.3Confident66.9Low108 Ų108117.4 Ų117.457%0.56562%0.619SS**Hα-helixtrans-68.2-40.4175.1-174.166.3000111L12 L13 L19 V20L12-L16 VanDerWaalsContact O-CB 3.27Å; L12-L16 WeakPolarHBondContact O-CB 3.42Å; L12-L16 PolarHBondContact O-N 3.3Å; L13-L16 PolarHBondContact O-N 2.89Å; L16-L19 PolarHBondContact O-N 2.89Å; L16-V20 VanDerWaalsContact O-CG2 3.32Å; L16-V20 WeakPolarHBondContact O-CG2 3.48Å; L16-V20 PolarHBondContact O-N 3.38Å
17W76.4Confident66.7Low173 Ų173116 Ų11666%0.65563%0.625SS**Hα-helixtrans-63.6-43.2174.2-169.747.7000111.1L13 L19 V20 L21L13-W17 WeakPolarHBondContact O-CB 3.38Å; L13-W17 PolarHBondContact O-N 3.33Å; W17-L19 VanDerWaalsContact C-N 3.31Å; W17-L19 PolarHBondContact O-N 3.49Å; W17-V20 PolarHBondContact O-N 3.29Å; W17-L21 HydrophobicContact CZ2-CD2 4.34Å; W17-L21 VanDerWaalsContact O-CB 3.23Å; W17-L21 WeakPolarHBondContact O-CB 3.31Å; W17-L21 PolarHBondContact O-N 3.16Å
18L71.3Confident66.2Low107 Ų107109.4 Ų109.456%0.5662%0.615SS**Hα-helixtrans-62.1-38.9174.7-169.768.7000111.5P14 L15 L21 T22P14-L18 WeakPolarHBondContact O-CB 3.24Å; P14-L18 PolarHBondContact O-N 2.98Å; L15-L18 PolarHBondContact O-N 3.32Å; L18-L21 PolarHBondContact O-N 3.12Å; L18-T22 WeakPolarHBondContact O-CB 3.5Å; L18-T22 WeakPolarHBondContact O-CG2 3.37Å; L18-T22 PolarHBondContact O-N 3.38Å; L18-T22 PolarHBondContact O-OG1 2.93Å
19L69.2Low65.6Low124 Ų124107.9 Ų107.965%0.64962%0.623SS**Hα-helixtrans-67-37.3176.6-171.765.8000112.7L15 L16 W17 T22L15-L19 WeakPolarHBondContact O-CB 3.44Å; L15-L19 PolarHBondContact O-N 3.48Å; L16-L19 PolarHBondContact O-N 2.89Å; W17-L19 VanDerWaalsContact C-N 3.31Å; W17-L19 PolarHBondContact O-N 3.49Å; L19-T22 WeakPolarHBondContact CA-OG1 3.3Å; L19-T22 PolarHBondContact O-OG1 3.13Å
20V70.8Confident65.1Low112 Ų112110.5 Ų110.568%0.67964%0.637SS**Hα-helixtrans-73.4-35.1174.8169.80000111.5L16 W17L16-V20 VanDerWaalsContact O-CG2 3.32Å; L16-V20 WeakPolarHBondContact O-CG2 3.48Å; L16-V20 PolarHBondContact O-N 3.38Å; W17-V20 PolarHBondContact O-N 3.29Å
21L66.3Low64Low109 Ų109110.3 Ų110.357%0.57164%0.637SS**Hα-helixtrans-86.6-15.4-178.1-14176.3000113.2W17 L18 P23W17-L21 HydrophobicContact CZ2-CD2 4.34Å; W17-L21 VanDerWaalsContact O-CB 3.23Å; W17-L21 WeakPolarHBondContact O-CB 3.31Å; W17-L21 PolarHBondContact O-N 3.16Å; L18-L21 PolarHBondContact O-N 3.12Å; L21-P23 WeakPolarHBondContact O-CD 3.34Å
22T65.4Low63.5Low70 Ų70111 Ų11143%0.42965%0.647SS.*SBendtrans-73.7104.2163.5440000107.7L18 L19 G24L18-T22 WeakPolarHBondContact O-CB 3.5Å; L18-T22 WeakPolarHBondContact O-CG2 3.37Å; L18-T22 PolarHBondContact O-N 3.38Å; L18-T22 PolarHBondContact O-OG1 2.93Å; L19-T22 WeakPolarHBondContact CA-OG1 3.3Å; L19-T22 PolarHBondContact O-OG1 3.13Å; T22-G24 PolarHBondContact O-N 3.48Å
23P57.9Low62.6Low112 Ų112110.8 Ų110.873%0.72765%0.653SS**  trans-55120.7162.625.5-32.8000104.9L21 R25L21-P23 WeakPolarHBondContact O-CD 3.34Å; P23-R25 PolarHBondContact O-N 3.32Å
24G58.6Low61.6Low69 Ų69113.6 Ų113.671%0.71166%0.66SS**  trans-46.2106.8-176.900000107.4T22 P26T22-G24 PolarHBondContact O-N 3.48Å; G24-P26 WeakPolarHBondContact O-CD 3.46Å
25R58Low60.9Low235 Ų235117.2 Ų117.289%0.88768%0.681SS**  trans-56.9114.1167.8-92.8176.6144.2158.6-5.7101.7P23 A27P23-R25 PolarHBondContact O-N 3.32Å; R25-A27 VanDerWaalsContact C-N 3.27Å; R25-A27 PolarHBondContact O-N 3Å
26P51Low60.5Low110 Ų110116.6 Ų116.671%0.71468%0.677SS**  trans-55.2116.416125.4-29.3000102.3G24 A28G24-P26 WeakPolarHBondContact O-CD 3.46Å; P26-A28 PolarHBondContact O-N 3.19Å
27A55.7Low60.9Low98 Ų98115.4 Ų115.481%0.8167%0.672SS**  trans-57.980.8145.600000102.8R25 G29R25-A27 VanDerWaalsContact C-N 3.27Å; R25-A27 PolarHBondContact O-N 3Å; A27-G29 PolarHBondContact O-N 3.45Å
28A53Low61.4Low69 Ų69111.8 Ų111.857%0.5766%0.663SS**  trans-56.795.1158.100000100.3P26 L30P26-A28 PolarHBondContact O-N 3.19Å; A28-L30 VanDerWaalsContact C-N 3.32Å; A28-L30 PolarHBondContact O-N 3.12Å
29G50.1Low62.2Low65 Ų65111 Ų11167%0.6766%0.657SS**  trans-45.6114.4169.100000103.1A27 S31A27-G29 PolarHBondContact O-N 3.45Å; G29-S31 PolarHBondContact O-N 3.44Å
30L56.3Low63.1Low157 Ų157109.6 Ų109.682%0.82265%0.65SS**  trans-70.861.6174.2-64173.2000105.7A28 T32A28-L30 VanDerWaalsContact C-N 3.32Å; A28-L30 PolarHBondContact O-N 3.12Å; L30-T32 PolarHBondContact O-N 3.18Å
31S46.8Very low64.2Low84 Ų84107 Ų10759%0.58763%0.633SS**  trans-60.699.1146.5-1720000103G29 C33G29-S31 PolarHBondContact O-N 3.44Å; S31-C33 PolarHBondContact O-N 2.79Å; S31-C33 PolarHBondContact OG-SG 3.29Å
32T55.6Low65.5Low137 Ų137107 Ų10784%0.8463%0.629SS**  trans-62.430.9168.750.30000111.3L30 K34L30-T32 PolarHBondContact O-N 3.18Å; T32-K34 PolarHBondContact O-N 2.81Å
33C55Low66.9Low97 Ų97111.6 Ų111.666%0.65564%0.639SS**  trans-77.384.2165.1-65.80000107.2S31 T35S31-C33 PolarHBondContact O-N 2.79Å; S31-C33 PolarHBondContact OG-SG 3.29Å; C33-T35 PolarHBondContact O-N 3.06Å; C33-T35 VanDerWaalsContact O-N 3.1Å
34K55.4Low68.7Low173 Ų173113.9 Ų113.975%0.75264%0.637SS**  trans-34.1120.4154.7-173.7166.3179.666.70107.7T32 I36T32-K34 PolarHBondContact O-N 2.81Å; K34-I36 PolarHBondContact O-N 3.15Å
35T59.5Low70.5Confident143 Ų143118.6 Ų118.688%0.87763%0.633SS**  trans-64.776.216644.70000106.9C33 D37C33-T35 PolarHBondContact O-N 3.06Å; C33-T35 VanDerWaalsContact O-N 3.1Å; T35-D37 PolarHBondContact O-N 3.24Å
36I63.3Low72.4Confident96 Ų96112.8 Ų112.849%0.49262%0.619SS.*  trans-71.5120.3177-175.8162.8000105.6K34 M38 V41K34-I36 PolarHBondContact O-N 3.15Å; I36-M38 HydrophobicContact CB-CE 4.24Å; I36-M38 HydrophobicContact CG1-CE 4.19Å; I36-M38 HydrophobicContact CG2-CE 3.27Å; I36-M38 PolarHBondContact O-N 2.86Å; I36-V41 HydrophobicContact CD1-CG2 3.6Å; I36-V41 HydrophobicContact CG1-CG2 3.7Å
37D82.6Confident74.6Confident83 Ų83112.9 Ų112.944%0.44461%0.61SS.*  trans-63.5103.1176.1-175.3-6.4000107.9T35 E39 L40 V41T35-D37 PolarHBondContact O-N 3.24Å; D37-E39 PolarHBondContact O-N 3.18Å; D37-E39 VanDerWaalsContact OD1-CB 3.23Å; D37-E39 WeakPolarHBondContact OD1-CB 3.43Å; D37-E39 PolarHBondContact OD1-N 2.97Å; D37-L40 HydrophobicContact CB-CB 4.23Å; D37-L40 HydrophobicContact CB-CD1 3.93Å; D37-L40 HydrophobicContact CB-CG 3.91Å; D37-L40 WeakPolarHBondContact O-CB 3.33Å; D37-L40 PolarHBondContact O-N 2.72Å; D37-V41 PolarHBondContact O-N 3Å
38M88.4Confident76.6Confident98 Ų98111.3 Ų111.348%0.48360%0.596SS.*Hα-helixtrans-58.2-26.4178.4-78-66.1107.200111.4I36 V41 K42I36-M38 HydrophobicContact CB-CE 4.24Å; I36-M38 HydrophobicContact CG1-CE 4.19Å; I36-M38 HydrophobicContact CG2-CE 3.27Å; I36-M38 PolarHBondContact O-N 2.86Å; M38-V41 HydrophobicContact CE-CB 4.38Å; M38-V41 HydrophobicContact CE-CG2 3.95Å; M38-V41 PolarHBondContact O-N 3.34Å; M38-K42 WeakPolarHBondContact O-CB 3.21Å; M38-K42 VanDerWaalsContact O-CG 3.22Å; M38-K42 WeakPolarHBondContact O-CG 3.41Å; M38-K42 PolarHBondContact O-N 3.18Å
39E88Confident78.7Confident90 Ų90110.4 Ų110.442%0.42158%0.582SS.*Hα-helixtrans-67.5-38174.9-62.7-59.1114.500111.2D37 K42 R43D37-E39 PolarHBondContact O-N 3.18Å; D37-E39 VanDerWaalsContact OD1-CB 3.23Å; D37-E39 WeakPolarHBondContact OD1-CB 3.43Å; D37-E39 PolarHBondContact OD1-N 2.97Å; E39-K42 PolarHBondContact O-N 3.47Å; E39-K42 IonicContact OE1-NZ 3.61Å; E39-K42 PolarHBondContact OE1-NZ 3.01Å; E39-R43 WeakPolarHBondContact O-CB 3.26Å; E39-R43 WeakPolarHBondContact O-CG 3.35Å; E39-R43 PolarHBondContact O-N 2.89Å
40L88.4Confident80.9Confident95 Ų95113.7 Ų113.750%0.49757%0.574SS.*Hα-helixtrans-67.3-38.7173.6-65.8-179.9000112.1D37 R43 K44D37-L40 HydrophobicContact CB-CB 4.23Å; D37-L40 HydrophobicContact CB-CD1 3.93Å; D37-L40 HydrophobicContact CB-CG 3.91Å; D37-L40 WeakPolarHBondContact O-CB 3.33Å; D37-L40 PolarHBondContact O-N 2.72Å; L40-R43 PolarHBondContact O-N 2.92Å; L40-K44 WeakPolarHBondContact O-CG 3.4Å; L40-K44 PolarHBondContact O-N 3.48Å
41V92.6Very high82.8Confident56 Ų56108 Ų10834%0.33955%0.553SS.*Hα-helixtrans-65-45.9176.1176.10000110.7I36 D37 M38 R43 K44 R45I36-V41 HydrophobicContact CD1-CG2 3.6Å; I36-V41 HydrophobicContact CG1-CG2 3.7Å; D37-V41 PolarHBondContact O-N 3Å; M38-V41 HydrophobicContact CE-CB 4.38Å; M38-V41 HydrophobicContact CE-CG2 3.95Å; M38-V41 PolarHBondContact O-N 3.34Å; V41-R43 PolarHBondContact O-N 2.96Å; V41-K44 PolarHBondContact O-N 3.34Å; V41-R45 WeakPolarHBondContact O-CB 3.47Å; V41-R45 PolarHBondContact O-N 3.39Å
42K93.6Very high85.2Confident111 Ų111108.4 Ų108.448%0.48355%0.546SS..Hα-helixtrans-59.3-46.3175.6-72.2170.9-169.61700111.2M38 E39 K44 R45 I46M38-K42 WeakPolarHBondContact O-CB 3.21Å; M38-K42 VanDerWaalsContact O-CG 3.22Å; M38-K42 WeakPolarHBondContact O-CG 3.41Å; M38-K42 PolarHBondContact O-N 3.18Å; E39-K42 PolarHBondContact O-N 3.47Å; E39-K42 IonicContact OE1-NZ 3.61Å; E39-K42 PolarHBondContact OE1-NZ 3.01Å; K42-K44 PolarHBondContact O-N 2.83Å; K42-R45 PolarHBondContact O-N 2.69Å; K42-I46 VanDerWaalsContact O-CG1 3.24Å; K42-I46 WeakPolarHBondContact O-CG1 3.33Å; K42-I46 PolarHBondContact O-N 3Å
43R94.4Very high87.2Confident166 Ų166106.1 Ų106.163%0.62653%0.527SS*.Hα-helixtrans-59.3-46.4176.9-73.9173.5-168.7-161.94.6112.2E39 L40 V41 R45 I46 E47E39-R43 WeakPolarHBondContact O-CB 3.26Å; E39-R43 WeakPolarHBondContact O-CG 3.35Å; E39-R43 PolarHBondContact O-N 2.89Å; L40-R43 PolarHBondContact O-N 2.92Å; V41-R43 PolarHBondContact O-N 2.96Å; R43-R45 VanDerWaalsContact C-N 3.31Å; R43-R45 PolarHBondContact O-N 2.98Å; R43-I46 PolarHBondContact O-N 3.24Å; R43-E47 PolarHBondContact O-N 3.11Å; R43-E47 VanDerWaalsContact O-N 3.09Å
44K96.4Very high89.2Confident160 Ų160102.9 Ų102.970%0.69650%0.503SS*.Hα-helixtrans-61.3-40.8175.3-74.9-177.3177.1-174.20112L40 V41 K42 E47 A48L40-K44 WeakPolarHBondContact O-CG 3.4Å; L40-K44 PolarHBondContact O-N 3.48Å; V41-K44 PolarHBondContact O-N 3.34Å; K42-K44 PolarHBondContact O-N 2.83Å; K44-E47 PolarHBondContact O-N 3.35Å; K44-A48 WeakPolarHBondContact O-CB 3.46Å; K44-A48 PolarHBondContact O-N 3.04Å
45R97.2Very high91.1Very high168 Ų16896.8 Ų96.863%0.63448%0.482SS*.Hα-helixtrans-66.1-39.5177.1-170.7174.9-174.5-91.1-0.5111.9V41 K42 R43 A48 I49V41-R45 WeakPolarHBondContact O-CB 3.47Å; V41-R45 PolarHBondContact O-N 3.39Å; K42-R45 PolarHBondContact O-N 2.69Å; R43-R45 VanDerWaalsContact C-N 3.31Å; R43-R45 PolarHBondContact O-N 2.98Å; R45-A48 PolarHBondContact O-N 2.86Å; R45-I49 HydrophobicContact CG-CD1 3.82Å; R45-I49 HydrophobicContact CG-CG1 4.37Å; R45-I49 WeakPolarHBondContact O-CB 3.35Å; R45-I49 VanDerWaalsContact O-CG1 3.24Å; R45-I49 WeakPolarHBondContact O-CG1 3.43Å; R45-I49 PolarHBondContact O-N 3.46Å
46I96.9Very high92.9Very high113 Ų11393.3 Ų93.358%0.57946%0.455SS*.Hα-helixtrans-60.3-47.6175.7-70.5162.1000110.2K42 R43 A48 I49 R50K42-I46 VanDerWaalsContact O-CG1 3.24Å; K42-I46 WeakPolarHBondContact O-CG1 3.33Å; K42-I46 PolarHBondContact O-N 3Å; R43-I46 PolarHBondContact O-N 3.24Å; I46-A48 PolarHBondContact O-N 2.87Å; I46-I49 PolarHBondContact O-N 2.88Å; I46-R50 WeakPolarHBondContact O-CB 3.43Å; I46-R50 PolarHBondContact O-N 2.9Å
47E97.2Very high94.4Very high112 Ų11293.2 Ų93.252%0.52346%0.455SS..Hα-helixtrans-66.5-38.7179.9-165.159.1-146.900112.1R43 K44 R50 G51R43-E47 PolarHBondContact O-N 3.11Å; R43-E47 VanDerWaalsContact O-N 3.09Å; K44-E47 PolarHBondContact O-N 3.35Å; E47-R50 WeakPolarHBondContact O-CB 3.24Å; E47-R50 PolarHBondContact O-N 2.91Å; E47-R50 IonicContact OE1-NH1 2.76Å; E47-R50 IonicContact OE2-NH1 2.78Å; E47-G51 PolarHBondContact O-N 3.18Å; E47-G51 VanDerWaalsContact O-N 3.13Å
48A97.3Very high95.1Very high64 Ų6497.8 Ų97.853%0.52947%0.466SS..Hα-helixtrans-62.4-45.1174.200000112K44 R45 I46 R50 G51 Q52K44-A48 WeakPolarHBondContact O-CB 3.46Å; K44-A48 PolarHBondContact O-N 3.04Å; R45-A48 PolarHBondContact O-N 2.86Å; I46-A48 PolarHBondContact O-N 2.87Å; A48-R50 VanDerWaalsContact C-N 3.33Å; A48-R50 PolarHBondContact O-N 3.3Å; A48-G51 PolarHBondContact O-N 3.4Å; A48-Q52 WeakPolarHBondContact O-CB 3.41Å; A48-Q52 PolarHBondContact O-N 3.48Å
49I97.6Very high95.3Very high51 Ų5196.5 Ų96.526%0.26246%0.46SS..Hα-helixtrans-65.5-38177.9-71170.6000110.9R45 I46 G51 Q52 I53R45-I49 HydrophobicContact CG-CD1 3.82Å; R45-I49 HydrophobicContact CG-CG1 4.37Å; R45-I49 WeakPolarHBondContact O-CB 3.35Å; R45-I49 VanDerWaalsContact O-CG1 3.24Å; R45-I49 WeakPolarHBondContact O-CG1 3.43Å; R45-I49 PolarHBondContact O-N 3.46Å; I46-I49 PolarHBondContact O-N 2.88Å; I49-G51 PolarHBondContact O-N 3.35Å; I49-Q52 WeakPolarHBondContact O-CB 3.38Å; I49-Q52 PolarHBondContact O-N 2.85Å; I49-I53 HydrophobicContact CG2-CD1 3.7Å; I49-I53 HydrophobicContact CG2-CG1 4.18Å; I49-I53 WeakPolarHBondContact O-CG1 3.39Å; I49-I53 PolarHBondContact O-N 3.46Å
50R96.8Very high95.6Very high133 Ų13397.3 Ų97.350%0.50248%0.483SS..Hα-helixtrans-57.5-49.2175.5-174.9-173.6-177.7-166.71.8111.2I46 E47 A48 Q52 I53 L54I46-R50 WeakPolarHBondContact O-CB 3.43Å; I46-R50 PolarHBondContact O-N 2.9Å; E47-R50 WeakPolarHBondContact O-CB 3.24Å; E47-R50 PolarHBondContact O-N 2.91Å; E47-R50 IonicContact OE1-NH1 2.76Å; E47-R50 IonicContact OE2-NH1 2.78Å; A48-R50 VanDerWaalsContact C-N 3.33Å; A48-R50 PolarHBondContact O-N 3.3Å; R50-Q52 VanDerWaalsContact C-N 3.33Å; R50-I53 PolarHBondContact O-N 3.13Å; R50-L54 HydrophobicContact CG-CD1 4.48Å; R50-L54 WeakPolarHBondContact O-CG 3.24Å; R50-L54 PolarHBondContact O-N 3.47Å
51G96.3Very high95.8Very high37 Ų3796.5 Ų96.538%0.38149%0.485SS..Hα-helixtrans-64-38175.300000112.7E47 A48 I49 S55E47-G51 PolarHBondContact O-N 3.18Å; E47-G51 VanDerWaalsContact O-N 3.13Å; A48-G51 PolarHBondContact O-N 3.4Å; I49-G51 PolarHBondContact O-N 3.35Å; G51-S55 VanDerWaalsContact O-CB 3.3Å; G51-S55 WeakPolarHBondContact O-CB 3.2Å; G51-S55 PolarHBondContact O-N 2.9Å; G51-S55 PolarHBondContact O-OG 3.4Å
52Q96.8Very high95.9Very high94 Ų9497.8 Ų97.844%0.43949%0.494SS..Hα-helixtrans-63.8-44.2177.3-172179.8-1.300112.4A48 I49 R50 S55 K56A48-Q52 WeakPolarHBondContact O-CB 3.41Å; A48-Q52 PolarHBondContact O-N 3.48Å; I49-Q52 WeakPolarHBondContact O-CB 3.38Å; I49-Q52 PolarHBondContact O-N 2.85Å; R50-Q52 VanDerWaalsContact C-N 3.33Å; Q52-S55 WeakPolarHBondContact CA-OG 3.4Å; Q52-S55 PolarHBondContact O-OG 3Å; Q52-K56 HydrophobicContact CG-CD 4.33Å; Q52-K56 VanDerWaalsContact O-CB 3.31Å; Q52-K56 WeakPolarHBondContact O-CB 3.42Å; Q52-K56 VanDerWaalsContact O-CG 3.24Å; Q52-K56 WeakPolarHBondContact O-CG 3.44Å; Q52-K56 PolarHBondContact O-N 3.43Å
53I96.8Very high95.8Very high89 Ų8997 Ų9746%0.45650%0.501SS..Hα-helixtrans-64.1-48.5178.4-68167.7000110.1I49 R50 S55 K56 L57I49-I53 HydrophobicContact CG2-CD1 3.7Å; I49-I53 HydrophobicContact CG2-CG1 4.18Å; I49-I53 WeakPolarHBondContact O-CG1 3.39Å; I49-I53 PolarHBondContact O-N 3.46Å; R50-I53 PolarHBondContact O-N 3.13Å; I53-S55 PolarHBondContact O-N 3.31Å; I53-K56 PolarHBondContact O-N 3.09Å; I53-L57 HydrophobicContact CG2-CD1 3.89Å; I53-L57 WeakPolarHBondContact O-CB 3.23Å; I53-L57 WeakPolarHBondContact O-CG 3.22Å; I53-L57 PolarHBondContact O-N 3.28Å
54L97.1Very high95.6Very high29 Ų2994 Ų9415%0.15251%0.505CS..Hα-helixtrans-63.1-43-179.1-71.6177.8000112.3R50 L57 R58 L59R50-L54 HydrophobicContact CG-CD1 4.48Å; R50-L54 WeakPolarHBondContact O-CG 3.24Å; R50-L54 PolarHBondContact O-N 3.47Å; L54-L57 CarbonylContact O-C 3.56Å; L54-L57 PolarHBondContact O-N 3.35Å; L54-R58 PolarHBondContact O-N 2.88Å; L54-L59 WeakPolarHBondContact CB-O 3.04Å; L54-L59 HydrophobicContact CD2-CB 3.99Å; L54-L59 PolarHBondContact O-N 3.46Å
55S96.4Very high95.2Very high44 Ų4494.2 Ų94.231%0.30851%0.509SS..Hα-helixtrans-66.1-40.5176.353.80000112.7G51 Q52 I53 L57 R58 Y103 Y104G51-S55 VanDerWaalsContact O-CB 3.3Å; G51-S55 WeakPolarHBondContact O-CB 3.2Å; G51-S55 PolarHBondContact O-N 2.9Å; G51-S55 PolarHBondContact O-OG 3.4Å; Q52-S55 WeakPolarHBondContact CA-OG 3.4Å; Q52-S55 PolarHBondContact O-OG 3Å; I53-S55 PolarHBondContact O-N 3.31Å; S55-L57 VanDerWaalsContact C-N 3.32Å; S55-L57 PolarHBondContact O-N 2.89Å; S55-R58 PolarHBondContact O-N 3.48Å; S55-Y103 PolarHBondContact OG-OH 3.37Å; S55-Y103 VanDerWaalsContact OG-OH 3.12Å; S55-Y104 WeakPolarHBondContact O-CD1 3.47Å; S55-Y104 WeakPolarHBondContact O-CE1 3.38Å
56K96.8Very high94.5Very high71 Ų7190 Ų9031%0.30952%0.518SS..Hα-helixtrans-61.5-38.4173.8-78.5-173.5165.6-73.80112.6Q52 I53 R58 Y103 A105Q52-K56 HydrophobicContact CG-CD 4.33Å; Q52-K56 VanDerWaalsContact O-CB 3.31Å; Q52-K56 WeakPolarHBondContact O-CB 3.42Å; Q52-K56 VanDerWaalsContact O-CG 3.24Å; Q52-K56 WeakPolarHBondContact O-CG 3.44Å; Q52-K56 PolarHBondContact O-N 3.43Å; I53-K56 PolarHBondContact O-N 3.09Å; K56-R58 VanDerWaalsContact C-N 3.32Å; K56-Y103 HydrophobicContact CG-CE1 4.45Å; K56-Y103 WeakPolarHBondContact CG-O 3.46Å; K56-Y103 PolarHBondContact NZ-O 2.89Å; K56-A105 PolarHBondContact O-N 2.83Å
57L95.9Very high93.8Very high93 Ų9393.4 Ų93.449%0.48753%0.531SS..THydrogen-bonded Turntrans-84-3.6177.7-64.2176.4000113.8I53 L54 S55 L59 A105I53-L57 HydrophobicContact CG2-CD1 3.89Å; I53-L57 WeakPolarHBondContact O-CB 3.23Å; I53-L57 WeakPolarHBondContact O-CG 3.22Å; I53-L57 PolarHBondContact O-N 3.28Å; L54-L57 CarbonylContact O-C 3.56Å; L54-L57 PolarHBondContact O-N 3.35Å; S55-L57 VanDerWaalsContact C-N 3.32Å; S55-L57 PolarHBondContact O-N 2.89Å; L57-L59 VanDerWaalsContact C-N 3.26Å; L57-L59 HydrophobicContact CB-CD1 3.94Å; L57-L59 HydrophobicContact CB-CG 3.93Å; L57-L59 HydrophobicContact CD1-CD1 4.17Å; L57-L59 PolarHBondContact O-N 2.97Å; L57-A105 HydrophobicContact CD2-CB 3.8Å
58R95.5Very high93.3Very high180 Ų18092.7 Ų92.768%0.67953%0.534SS*.THydrogen-bonded Turntrans57.635.7-174.1-56.9179.8171.9174.3-2.3113.5L54 S55 K56 Y104L54-R58 PolarHBondContact O-N 2.88Å; S55-R58 PolarHBondContact O-N 3.48Å; 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 3.57Å; R58-Y104 HydrophobicContact CG-CG 4.34Å; R58-Y104 VanDerWaalsContact NE-CD1 3.27Å
59L94.4Very high92.9Very high70 Ų7094.7 Ų94.737%0.36654%0.542SS..  trans-106.3136.3178-62.1177.4000110.4L54 L57L54-L59 WeakPolarHBondContact CB-O 3.04Å; L54-L59 HydrophobicContact CD2-CB 3.99Å; L54-L59 PolarHBondContact O-N 3.46Å; L57-L59 VanDerWaalsContact C-N 3.26Å; L57-L59 HydrophobicContact CB-CD1 3.94Å; L57-L59 HydrophobicContact CB-CG 3.93Å; L57-L59 HydrophobicContact CD1-CD1 4.17Å; L57-L59 PolarHBondContact O-N 2.97Å
60A93.4Very high92.4Very high108 Ų10898.8 Ų98.889%0.89357%0.572SS**SBendtrans-78.6-31.3173.200000112.2
61S93.3Very high92Very high78 Ų7895.1 Ų95.155%0.54558%0.576SS.*SBendtrans-146.3160.3179.859.60000110.4
62P93.4Very high91.8Very high82 Ų8299.6 Ų99.653%0.53260%0.598SS.*PPolyproline II helixtrans-55.6138.4172.5-23.734.2000111.5
63P91.9Very high91.6Very high95 Ų95100.2 Ų100.262%0.61760%0.604SS**PPolyproline II helixtrans-71.6152.9178.829.9-32.8000110.9
64S90.9Very high91.5Very high103 Ų103100.1 Ų100.172%0.7261%0.609SS**PPolyproline II helixtrans-67.3131.1175.4500000111.1G66S64-G66 VanDerWaalsContact C-N 3.34Å
65Q88Confident91.3Very high164 Ų164106.7 Ų106.777%0.76664%0.639SS**  trans-893.5177.9-65.6-174.1-15.900113.8E67 V68Q65-E67 PolarHBondContact O-N 2.89Å; Q65-V68 HydrophobicContact CB-CG2 4.38Å; Q65-V68 WeakPolarHBondContact O-CB 2.97Å; Q65-V68 PolarHBondContact O-N 3.18Å; Q65-V68 VanDerWaalsContact O-N 3.09Å
66G81.7Confident91.1Very high80 Ų80107.4 Ų107.483%0.82565%0.647SS**THydrogen-bonded Turntrans-63.7-24.3-17300000114.9S64S64-G66 VanDerWaalsContact C-N 3.34Å
67E82.4Confident90.9Very high185 Ų185107.4 Ų107.486%0.86465%0.653SS**THydrogen-bonded Turntrans-95.7-2.6178.5-65.4178.8-18000113.1Q65 P69Q65-E67 PolarHBondContact O-N 2.89Å; E67-P69 WeakPolarHBondContact O-CD 3.41Å
68V87.3Confident90.9Very high97 Ų97106.6 Ų106.659%0.58865%0.649SS**SBendtrans-76.9121.1-179.1-1790000108.7Q65Q65-V68 HydrophobicContact CB-CG2 4.38Å; Q65-V68 WeakPolarHBondContact O-CB 2.97Å; Q65-V68 PolarHBondContact O-N 3.18Å; Q65-V68 VanDerWaalsContact O-N 3.09Å
69P87.8Confident90.7Very high106 Ų10699.8 Ų99.869%0.68863%0.631SS**PPolyproline II helixtrans-62.4131.6179.724.3-32.3000110E67E67-P69 WeakPolarHBondContact O-CD 3.41Å
70P87Confident90.8Very high136 Ų13698.2 Ų98.288%0.88362%0.623SS**SBendtrans-70.5133.3174.429.4-33.2000109.4
71G88.6Confident90.8Very high57 Ų57100 Ų10059%0.58861%0.608SS**SBendtrans140.5-173.7176.500000113.8
72P91.5Very high90.8Very high131 Ų13199.5 Ų99.585%0.85160%0.598SS**PPolyproline II helixtrans-65.5145.8175.628-33.1000111
73L93.2Very high90.7Very high107 Ų10798 Ų9856%0.5659%0.59SS**PPolyproline II helixtrans-65.9148.3173.9-83.774.5000110.3E75 V77 L78L73-E75 PolarHBondContact O-N 3.44Å; L73-V77 HydrophobicContact CD2-CG1 4.1Å; L73-L78 HydrophobicContact CB-CD2 4.17Å; L73-L78 HydrophobicContact CB-CG 4.16Å
74P94.1Very high90.7Very high87 Ų8795.8 Ų95.857%0.56558%0.575SS**PPolyproline II helixtrans-56.5138.9174.6-23.332.9000112A76 V77 L78P74-A76 PolarHBondContact O-N 3.47Å; P74-A76 VanDerWaalsContact O-N 3.13Å; P74-V77 HydrophobicContact CB-CG2 4.23Å; P74-V77 HydrophobicContact CG-CG2 4.34Å; P74-V77 WeakPolarHBondContact O-CB 3.32Å; P74-V77 PolarHBondContact O-N 3.33Å; P74-L78 PolarHBondContact O-N 2.92Å; P74-L78 VanDerWaalsContact O-N 3.16Å
75E93.6Very high90.6Very high167 Ų16797 Ų9778%0.7856%0.564SS**Hα-helixtrans-56.3-33.9-179.1-69.3-171.2175.800112.9L73 V77 L78 A79L73-E75 PolarHBondContact O-N 3.44Å; E75-V77 VanDerWaalsContact C-N 3.29Å; E75-V77 PolarHBondContact O-N 2.88Å; E75-L78 PolarHBondContact O-N 3.34Å; E75-A79 VanDerWaalsContact O-CB 3.3Å; E75-A79 WeakPolarHBondContact O-CB 3.23Å; E75-A79 PolarHBondContact O-N 2.98Å
76A92Very high90.5Very high59 Ų5993.3 Ų93.349%0.48855%0.549SS..Hα-helixtrans-60.4-38.3176.200000112.7P74 L80P74-A76 PolarHBondContact O-N 3.47Å; P74-A76 VanDerWaalsContact O-N 3.13Å; A76-L80 WeakPolarHBondContact O-CB 3.44Å; A76-L80 PolarHBondContact O-N 3.18Å; A76-L80 VanDerWaalsContact O-N 3.12Å
77V93.9Very high90.6Very high70 Ų7098 Ų9842%0.42454%0.542SS..Hα-helixtrans-72.3-43177.3179.20000110.2L73 P74 E75 A79 L80 Y81L73-V77 HydrophobicContact CD2-CG1 4.1Å; P74-V77 HydrophobicContact CB-CG2 4.23Å; P74-V77 HydrophobicContact CG-CG2 4.34Å; P74-V77 WeakPolarHBondContact O-CB 3.32Å; P74-V77 PolarHBondContact O-N 3.33Å; E75-V77 VanDerWaalsContact C-N 3.29Å; E75-V77 PolarHBondContact O-N 2.88Å; V77-A79 PolarHBondContact O-N 3.48Å; V77-L80 PolarHBondContact O-N 2.95Å; V77-Y81 WeakPolarHBondContact O-CB 3.44Å; V77-Y81 PolarHBondContact O-N 3.48Å
78L94.3Very high90.2Very high77 Ų7794.6 Ų94.640%0.40353%0.533SS..Hα-helixtrans-61.3-44.3176.4-68.2174.3000111.8L73 P74 E75 L80 Y81 N82L73-L78 HydrophobicContact CB-CD2 4.17Å; L73-L78 HydrophobicContact CB-CG 4.16Å; P74-L78 PolarHBondContact O-N 2.92Å; P74-L78 VanDerWaalsContact O-N 3.16Å; E75-L78 PolarHBondContact O-N 3.34Å; L78-L80 VanDerWaalsContact C-N 3.34Å; L78-L80 PolarHBondContact O-N 2.76Å; L78-Y81 PolarHBondContact O-N 2.67Å; L78-N82 WeakPolarHBondContact O-CB 3.32Å; L78-N82 VanDerWaalsContact O-CG 3.22Å; L78-N82 PolarHBondContact O-N 3.28Å; L78-N82 PolarHBondContact O-ND2 3.19Å
79A92.9Very high89.6Confident36 Ų3693.7 Ų93.730%0.29854%0.536SS..Hα-helixtrans-64.4-39.5178.200000111.9E75 V77 S83 R110E75-A79 VanDerWaalsContact O-CB 3.3Å; E75-A79 WeakPolarHBondContact O-CB 3.23Å; E75-A79 PolarHBondContact O-N 2.98Å; V77-A79 PolarHBondContact O-N 3.48Å; A79-S83 PolarHBondContact O-N 2.76Å; A79-S83 PolarHBondContact O-OG 3.11Å; A79-R110 VanDerWaalsContact CB-NH1 3.28Å
80L94.8Very high88.4Confident38 Ų3891.2 Ų91.220%0.19953%0.53CS..Hα-helixtrans-65.8-42.7174.8-17863.6000112.4A76 V77 L78 S83 T84 V108 R110A76-L80 WeakPolarHBondContact O-CB 3.44Å; A76-L80 PolarHBondContact O-N 3.18Å; A76-L80 VanDerWaalsContact O-N 3.12Å; V77-L80 PolarHBondContact O-N 2.95Å; L78-L80 VanDerWaalsContact C-N 3.34Å; L78-L80 PolarHBondContact O-N 2.76Å; L80-S83 WeakPolarHBondContact CA-OG 3.38Å; L80-S83 PolarHBondContact O-OG 3.1Å; L80-T84 PolarHBondContact O-N 2.96Å; L80-T84 PolarHBondContact O-OG1 2.82Å; L80-V108 HydrophobicContact CD1-CG1 3.98Å; L80-V108 WeakPolarHBondContact CD2-O 3.44Å; L80-V108 HydrophobicContact CG-CG1 4.46Å; L80-R110 HydrophobicContact CD1-CB 3.79Å; L80-R110 HydrophobicContact CD1-CG 3.89Å
81Y94.4Very high86.9Confident146 Ų14690.3 Ų90.357%0.57351%0.514SS*.Hα-helixtrans-62.2-47.6175.7174.6-98.7000111.2V77 L78 S83 T84 R85V77-Y81 WeakPolarHBondContact O-CB 3.44Å; V77-Y81 PolarHBondContact O-N 3.48Å; L78-Y81 PolarHBondContact O-N 2.67Å; Y81-S83 PolarHBondContact O-N 2.89Å; Y81-T84 PolarHBondContact O-N 2.68Å; Y81-T84 VanDerWaalsContact O-N 3.15Å; Y81-R85 WeakPolarHBondContact O-CB 3.18Å; Y81-R85 PolarHBondContact O-N 2.73Å
82N93.3Very high85.3Confident66 Ų6693.4 Ų93.435%0.35353%0.526SS..Hα-helixtrans-60.6-45.9178.5-71.1-18.5000111.3L78 T84 R85 D86L78-N82 WeakPolarHBondContact O-CB 3.32Å; L78-N82 VanDerWaalsContact O-CG 3.22Å; L78-N82 PolarHBondContact O-N 3.28Å; L78-N82 PolarHBondContact O-ND2 3.19Å; N82-T84 VanDerWaalsContact C-N 3.26Å; N82-T84 PolarHBondContact O-N 2.83Å; N82-R85 PolarHBondContact O-N 3Å; N82-D86 WeakPolarHBondContact O-CB 3.37Å; N82-D86 PolarHBondContact O-N 2.9Å
83S91.1Very high83.5Confident52 Ų5290.9 Ų90.936%0.36452%0.517SS..Hα-helixtrans-61.4-35.3176.459.80000112.9A79 L80 Y81 R87A79-S83 PolarHBondContact O-N 2.76Å; A79-S83 PolarHBondContact O-OG 3.11Å; L80-S83 WeakPolarHBondContact CA-OG 3.38Å; L80-S83 PolarHBondContact O-OG 3.1Å; Y81-S83 PolarHBondContact O-N 2.89Å; S83-R87 WeakPolarHBondContact O-CG 3.26Å; S83-R87 PolarHBondContact O-N 2.99Å
84T91Very high81.6Confident47 Ų4793.2 Ų93.229%0.28853%0.525SS..Hα-helixtrans-71.4-46178.5-53.60000110.9L80 Y81 N82 D86 R87 V88L80-T84 PolarHBondContact O-N 2.96Å; L80-T84 PolarHBondContact O-OG1 2.82Å; Y81-T84 PolarHBondContact O-N 2.68Å; Y81-T84 VanDerWaalsContact O-N 3.15Å; N82-T84 VanDerWaalsContact C-N 3.26Å; N82-T84 PolarHBondContact O-N 2.83Å; T84-D86 VanDerWaalsContact C-N 3.33Å; T84-D86 PolarHBondContact O-N 2.67Å; T84-R87 PolarHBondContact O-N 2.74Å; T84-V88 WeakPolarHBondContact O-CG2 3.34Å; T84-V88 PolarHBondContact O-N 2.92Å
85R89.6Confident79.7Confident129 Ų12994.8 Ų94.849%0.48754%0.535SS..Hα-helixtrans-60.6-44.4177.7-175.1-16667.6172.1-2.5111.4Y81 N82 V88 A89Y81-R85 WeakPolarHBondContact O-CB 3.18Å; Y81-R85 PolarHBondContact O-N 2.73Å; N82-R85 PolarHBondContact O-N 3Å; R85-V88 PolarHBondContact O-N 3.43Å; R85-A89 VanDerWaalsContact O-CB 3.26Å; R85-A89 WeakPolarHBondContact O-CB 3.37Å; R85-A89 PolarHBondContact O-N 2.98Å
86D87.1Confident78Confident86 Ų8693.7 Ų93.746%0.4653%0.53SS..Hα-helixtrans-70.2-33.6-176.3-61.7-12.3000111.3N82 T84 G90N82-D86 WeakPolarHBondContact O-CB 3.37Å; N82-D86 PolarHBondContact O-N 2.9Å; T84-D86 VanDerWaalsContact C-N 3.33Å; T84-D86 PolarHBondContact O-N 2.67Å; D86-G90 PolarHBondContact O-N 2.81Å
87R81.8Confident76.3Confident180 Ų18096.5 Ų96.568%0.67954%0.543SS*.Hα-helixtrans-62-53.8168.8-73.1173.470.3118.55.8111.4S83 T84 A89 G90 E91S83-R87 WeakPolarHBondContact O-CG 3.26Å; S83-R87 PolarHBondContact O-N 2.99Å; T84-R87 PolarHBondContact O-N 2.74Å; R87-A89 PolarHBondContact O-N 3.38Å; R87-G90 PolarHBondContact O-N 2.81Å; R87-G90 VanDerWaalsContact O-N 3.11Å; R87-E91 WeakPolarHBondContact O-CB 2.94Å; R87-E91 PolarHBondContact O-N 3.28Å
88V75.2Confident74.7Confident113 Ų113100.4 Ų100.469%0.68556%0.557SS**Hα-helixtrans-60.9-32.8179.9174.40000112.3T84 R85T84-V88 WeakPolarHBondContact O-CG2 3.34Å; T84-V88 PolarHBondContact O-N 2.92Å; R85-V88 PolarHBondContact O-N 3.43Å
89A75Confident73.5Confident77 Ų77102.1 Ų102.164%0.63657%0.573SS**Hα-helixtrans-80.2-30.117700000113.5R85 R87R85-A89 VanDerWaalsContact O-CB 3.26Å; R85-A89 WeakPolarHBondContact O-CB 3.37Å; R85-A89 PolarHBondContact O-N 2.98Å; R87-A89 PolarHBondContact O-N 3.38Å
90G62Low72.5Confident55 Ų55109.6 Ų109.657%0.56760%0.601SS**Hα-helixtrans-86.2-16.8-179.100000114.7D86 R87 S92D86-G90 PolarHBondContact O-N 2.81Å; R87-G90 PolarHBondContact O-N 2.81Å; R87-G90 VanDerWaalsContact O-N 3.11Å; G90-S92 PolarHBondContact O-N 3.44Å
91E56.6Low71.5Confident116 Ų116111.9 Ų111.954%0.54263%0.626SS.*  trans-80.652.6-177.5-152.1145.4-179.300112.5R87R87-E91 WeakPolarHBondContact O-CB 2.94Å; R87-E91 PolarHBondContact O-N 3.28Å
92S54Low71.1Confident122 Ų122109.8 Ų109.885%0.85363%0.625SS**SBendtrans-99.15.6166.8-98.90000113.2G90G90-S92 PolarHBondContact O-N 3.44Å
93A54.2Low71Confident78 Ų78112.4 Ų112.465%0.64563%0.63SS**SBendtrans-114.4-29.3-164.800000117.1
94E51.8Low71.1Confident156 Ų156115 Ų11573%0.72963%0.633SS**  trans-148.8115.8176.9-81.6-64.4146.700109.9E96E94-E96 VanDerWaalsContact C-N 3.29Å; E94-E96 PolarHBondContact O-N 2.81Å
95P55.2Low71.1Confident120 Ų120115.6 Ų115.678%0.77964%0.642SS**  trans-74.289.5169.831.1-28.8000107.6
96E57.6Low71.3Confident145 Ų145116.3 Ų116.368%0.67865%0.649SS**  trans-50.3139.6155.6-92.5-86.9148.400107.5E94 E98E94-E96 VanDerWaalsContact C-N 3.29Å; E94-E96 PolarHBondContact O-N 2.81Å; E96-E98 PolarHBondContact O-N 2.88Å
97P56.5Low71.4Confident118 Ų118120.5 Ų120.577%0.76667%0.666SS**  trans-70.270.9176.329.7-33.5000109.3
98E60Low71.9Confident151 Ų151115.7 Ų115.771%0.70666%0.656SS**  trans-67.9132.8172-79.7-145.6146.100108.4E96E96-E98 PolarHBondContact O-N 2.88Å
99P68.8Low72.7Confident114 Ų114115.3 Ų115.374%0.7465%0.654SS**  trans-56.6150.5168.626.6-33.7000109.5A101P99-A101 PolarHBondContact O-N 2.94Å
100E72.4Confident73.4Confident192 Ų192117.2 Ų117.290%0.89765%0.645SS**  trans-43.9115.9177.6-64.3-179.7-179.900110.6D102E100-D102 PolarHBondContact O-N 3.44Å
101A73.9Confident74.7Confident87 Ų87121.2 Ų121.272%0.71966%0.658SS**  trans-60.2131.8-174.700000110.7P99 Y103P99-A101 PolarHBondContact O-N 2.94Å; A101-Y103 PolarHBondContact O-N 3.26Å
102D85.8Confident76.2Confident102 Ų102122.1 Ų122.155%0.54567%0.666SS.*  trans-53.7139178.5-64.1-60000111.2E100 Y104 K106E100-D102 PolarHBondContact O-N 3.44Å; D102-Y104 PolarHBondContact O-N 3.42Å; D102-K106 WeakPolarHBondContact OD2-CE 3.27Å; D102-K106 IonicContact OD2-NZ 3.83Å; D102-K106 PolarHBondContact OD2-NZ 2.83Å
103Y90.8Very high77.9Confident120 Ų120125.3 Ų125.347%0.47167%0.67SS.*SBendtrans-58.6-34.1-179176.9-101.1000113S55 K56 A101S55-Y103 PolarHBondContact OG-OH 3.37Å; S55-Y103 VanDerWaalsContact OG-OH 3.12Å; K56-Y103 HydrophobicContact CG-CE1 4.45Å; K56-Y103 WeakPolarHBondContact CG-O 3.46Å; K56-Y103 PolarHBondContact NZ-O 2.89Å; A101-Y103 PolarHBondContact O-N 3.26Å
104Y94Very high79.7Confident107 Ų107128.3 Ų128.342%0.4268%0.68SS.*SBendtrans-82.3153.4-176.1-64.6-72.8000112.9S55 R58 D102S55-Y104 WeakPolarHBondContact O-CD1 3.47Å; S55-Y104 WeakPolarHBondContact O-CE1 3.38Å; R58-Y104 HydrophobicContact CG-CD1 3.43Å; R58-Y104 VanDerWaalsContact CG-CD1 3.43Å; R58-Y104 HydrophobicContact CG-CE1 3.57Å; R58-Y104 HydrophobicContact CG-CG 4.34Å; R58-Y104 VanDerWaalsContact NE-CD1 3.27Å; D102-Y104 PolarHBondContact O-N 3.42Å
105A91.7Very high81.2Confident59 Ų59129.4 Ų129.449%0.48869%0.685SS.*  trans-63.9144.9174.600000111.3K56 L57K56-A105 PolarHBondContact O-N 2.83Å; L57-A105 HydrophobicContact CD2-CB 3.8Å
106K92Very high82.3Confident144 Ų144129.3 Ų129.363%0.62668%0.682SS**  trans-107.8140.3172.8-64.6-174.3179.1-177.30109.4D102D102-K106 WeakPolarHBondContact OD2-CE 3.27Å; D102-K106 IonicContact OD2-NZ 3.83Å; D102-K106 PolarHBondContact OD2-NZ 2.83Å
107E90.8Very high82.6Confident175 Ų175130.5 Ų130.582%0.81869%0.687SS**  trans-73.7130.3170.5-173.3178.4175.900109.2T109E107-T109 HydrophobicContact CG-CG2 4.42Å
108V92Very high82.7Confident78 Ų78132 Ų13247%0.47369%0.689SS.*  trans-99.7129.1178.1-170.90000108.1L80L80-V108 HydrophobicContact CD1-CG1 3.98Å; L80-V108 WeakPolarHBondContact CD2-O 3.44Å; L80-V108 HydrophobicContact CG-CG1 4.46Å
109T91.5Very high82Confident105 Ų105127.6 Ų127.664%0.64468%0.684SS**  trans-133.1154.1173.953.10000109.4E107E107-T109 HydrophobicContact CG-CG2 4.42Å
110R89.1Confident81.1Confident118 Ų118131.6 Ų131.645%0.44569%0.693SS.*  trans-124.5140.1176.167.1179.8-173.5165.15.3110.6A79 L80A79-R110 VanDerWaalsContact CB-NH1 3.28Å; L80-R110 HydrophobicContact CD1-CB 3.79Å; L80-R110 HydrophobicContact CD1-CG 3.89Å
111V90.4Very high79.8Confident139 Ų139130.4 Ų130.484%0.84269%0.692SS**  trans-118.1127.8173.8-176.30000107.7
112L87.7Confident78.3Confident135 Ų135130.1 Ų130.171%0.70770%0.697SS**PPolyproline II helixtrans-84.4146.7177.7-59.4178.4000109.8
113M90.7Very high75.9Confident189 Ų189128.9 Ų128.993%0.93171%0.709SS**PPolyproline II helixtrans-71153173.8-65.1-178.4174.700110.5
114V90.4Very high73.9Confident140 Ų140128.8 Ų128.885%0.84873%0.733SS**PPolyproline II helixtrans-66.9137.3174.8-179.60000109.4T116V114-T116 PolarHBondContact O-N 3.34Å
115E84.6Confident71.4Confident179 Ų179127.2 Ų127.284%0.83675%0.749SS**PPolyproline II helixtrans-68.4123.7-179.2-167.4158.8-157.200111.1H117E115-H117 PolarHBondContact O-N 3.09Å; E115-H117 VanDerWaalsContact O-N 3.14Å
116T78.2Confident69.1Low118 Ų118133.1 Ų133.172%0.72477%0.766SS**  trans-75.3101.9174.3-44.60000108.3V114 N118V114-T116 PolarHBondContact O-N 3.34Å; T116-N118 VanDerWaalsContact C-N 3.3Å; T116-N118 PolarHBondContact O-N 3.03Å
117H64.1Low67.2Low170 Ų170132.1 Ų132.179%0.78778%0.775SS**  trans-68.691.5166.363.2-77.4000108.2E115 G119E115-H117 PolarHBondContact O-N 3.09Å; E115-H117 VanDerWaalsContact O-N 3.14Å; H117-G119 VanDerWaalsContact C-N 3.3Å; H117-G119 PolarHBondContact O-N 3.31Å
118N57.2Low64.9Low150 Ų150127.5 Ų127.580%0.80277%0.774SS**  trans-69.4100.3161.1-95.313.1000106.5T116 E120T116-N118 VanDerWaalsContact C-N 3.3Å; T116-N118 PolarHBondContact O-N 3.03Å; N118-E120 PolarHBondContact O-N 3.23Å
119G46.5Very low62.3Low58 Ų58127.5 Ų127.560%0.59879%0.789SS**  trans-50.4123.9178.600000111.2H117 L121H117-G119 VanDerWaalsContact C-N 3.3Å; H117-G119 PolarHBondContact O-N 3.31Å; G119-L121 PolarHBondContact O-N 3.39Å
120E49.1Very low59.9Low198 Ų198126 Ų12693%0.92580%0.795SS**  trans-53.2101.4161.1-171.7143.694.300109.2N118N118-E120 PolarHBondContact O-N 3.23Å
121L45.5Very low58Low168 Ų168126.4 Ų126.488%0.8881%0.813SS**  trans-121.789166.6-95.2157.2000107.9G119G119-L121 PolarHBondContact O-N 3.39Å
122G42.1Very low56.2Low80 Ų80125.7 Ų125.783%0.82581%0.811SS**  trans43.5115.2141.100000119.6
123G35.7Very low53.9Low77 Ų77123.3 Ų123.379%0.79482%0.819SS**  trans-172.871.9161.700000112.6G125G123-G125 PolarHBondContact O-N 2.85Å
124A49.7Very low51.6Low118 Ų118118.2 Ų118.298%0.97582%0.815SS**  trans-58.1121.216200000109.3
125G39.7Very low49.6Very low73 Ų73116.6 Ų116.675%0.75382%0.816SS**  trans-152.1125.317400000109.8G123G123-G125 PolarHBondContact O-N 2.85Å
126E44Very low47.6Very low184 Ų184111.4 Ų111.486%0.8681%0.811SS**  trans-51.3163.8-165.5-81.6-161.695.500120.3G128E126-G128 PolarHBondContact O-N 3.35Å
127P52.1Low46.5Very low123 Ų123112.5 Ų112.580%0.79982%0.817SS**  trans-78.798.7166.133.6-31.2000111.4
128G42.3Very low46Very low78 Ų78110.3 Ų110.380%0.80482%0.818SS**  trans-82.6121.6172.400000112.4E126E126-G128 PolarHBondContact O-N 3.35Å
129G38.8Very low45.8Very low77 Ų77106.5 Ų106.579%0.79481%0.814SS**  trans-65159.5-174.300000116.8
130G39.7Very low46.4Very low74 Ų74109.5 Ų109.576%0.76382%0.823SS**  trans-70.6174.3167.900000112.9
131P49.9Very low46.5Very low126 Ų126112.2 Ų112.282%0.81883%0.825SS**  -142.3-170.3123.147.2-33.4000110.6
132P51.8Low47.4Very low125 Ų125110.9 Ų110.981%0.81282%0.824SS**  -119.6166.2-11322.81.8000114.3
133G39.5Very low47.8Very low85 Ų85114.2 Ų114.288%0.87686%0.857SS**  trans93.3121.6142.500000117.5
134G43.5Very low48.5Very low82 Ų82116.1 Ų116.185%0.84586%0.861SS**  trans-178.485165.500000110.3
135A47.7Very low48.4Very low105 Ų105115.9 Ų115.987%0.86886%0.855SS**  trans-68137.1-177.200000113.3
136G42.6Very low48.9Very low71 Ų71118.3 Ų118.373%0.73286%0.86SS**  trans63.4122.9137.200000120.4
137V54.2Low49.2Very low140 Ų140114.5 Ų114.585%0.84886%0.86SS**  -163.7131115.3179.50000108.7
138P55.4Low49Very low125 Ų125113.9 Ų113.981%0.81286%0.864SS**PPolyproline II helixtrans-85.4128168.731.8-30000112.3
139G52.7Low49.4Very low69 Ų69116.3 Ų116.371%0.71187%0.868SS**PPolyproline II helixtrans-90.3160.7171.600000113.3
140P59.1Low50.2Low122 Ų122119.1 Ų119.179%0.79287%0.873SS**PPolyproline II helixtrans-85.5149-149.233.3-34.6000114.5
141R51.7Low51Low254 Ų254122.6 Ų122.696%0.95888%0.882SS**PPolyproline II helixtrans-66.9129.4163.4-69.3-177-176.1-1440.2109.1
142V62.5Low51.1Low141 Ų141122.3 Ų122.386%0.85589%0.887SS**PPolyproline II helixtrans-102.8130.5165.1-165.40000106.7
143G52.4Low51Low149 Ų149122.1 Ų122.1100%1.53689%0.894SS**  trans-810-170.200000115.6

Retrieved 143 of 143 residues in 28.6 ms (Link to these results)