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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 A0A078BFK3, 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
1M54.8Low63.2Low236 Ų236120.4 Ų120.4100%1.16367%0.671SS**  0105.60-65.3162.2107.400107
2P54Low64.3Low96 Ų96119 Ų11962%0.62366%0.661SS**  trans-70.9141-179.729.2-32.3000109.9S4P2-S4 PolarHBondContact O-N 3.49Å
3P59.6Low65.5Low92 Ų92119 Ų11960%0.59766%0.658SS**  trans-64.8129.4-176.726.1-33.1000110.4G5 L6P3-G5 PolarHBondContact O-N 2.88Å; P3-L6 HydrophobicContact CG-CD1 4.09Å; P3-L6 PolarHBondContact O-N 3.02Å
4S63.1Low66.5Low107 Ų107115.1 Ų115.175%0.74864%0.641SS**THydrogen-bonded Turntrans-56.6-11.4-171.1-49.50000115.5P2P2-S4 PolarHBondContact O-N 3.49Å
5G61.8Low67.2Low55 Ų55114.7 Ų114.757%0.56764%0.636SS**THydrogen-bonded Turntrans-72.1-31.5177.500000114.7P3 R7 L8P3-G5 PolarHBondContact O-N 2.88Å; G5-R7 VanDerWaalsContact C-N 3.3Å; G5-R7 PolarHBondContact O-N 3.37Å; G5-L8 PolarHBondContact O-N 2.97Å
6L59.9Low67.9Low121 Ų121114.3 Ų114.363%0.63463%0.632SS**THydrogen-bonded Turntrans-75.3-16.6-178.2-88.4102.5000113.9P3 L8 L9 P10P3-L6 HydrophobicContact CG-CD1 4.09Å; P3-L6 PolarHBondContact O-N 3.02Å; L6-L8 VanDerWaalsContact C-N 3.34Å; L6-L9 WeakPolarHBondContact O-CB 3.01Å; L6-P10 WeakPolarHBondContact O-CD 3.42Å
7R64.8Low68.6Low201 Ų201117.7 Ų117.776%0.75863%0.633SS**THydrogen-bonded Turntrans-78.9-18.5178.2-68.4-146.3165.6172.5-3.4113.9G5 P10G5-R7 VanDerWaalsContact C-N 3.3Å; G5-R7 PolarHBondContact O-N 3.37Å; R7-P10 WeakPolarHBondContact O-CD 3.38Å
8L65.5Low69.1Low99 Ų99117.1 Ų117.152%0.51863%0.629SS.*THydrogen-bonded Turntrans-89.1-19.1176.3-73.5157.6000112.2G5 L6 L11 L12G5-L8 PolarHBondContact O-N 2.97Å; L6-L8 VanDerWaalsContact C-N 3.34Å; L8-L11 PolarHBondContact O-N 2.58Å; L8-L12 HydrophobicContact CB-CD1 4.22Å; L8-L12 WeakPolarHBondContact O-CB 3.33Å; L8-L12 WeakPolarHBondContact O-CG 3.46Å; L8-L12 PolarHBondContact O-N 3Å
9L69.6Low69.4Low103 Ų103117.5 Ų117.554%0.53963%0.63SS.*Hα-helixtrans-54.1-47.3177.9-159.5103.7000114L6 L11 L12 L13L6-L9 WeakPolarHBondContact O-CB 3.01Å; L9-L11 PolarHBondContact O-N 3.19Å; L9-L12 PolarHBondContact O-N 3.37Å; L9-L13 PolarHBondContact O-N 2.76Å; L9-L13 VanDerWaalsContact O-N 3.1Å
10P70.9Confident69.7Low93 Ų93117.2 Ų117.260%0.60463%0.632SS**Hα-helixtrans-71-12.7178.429.5-36.7000113.8L6 R7 P14L6-P10 WeakPolarHBondContact O-CD 3.42Å; R7-P10 WeakPolarHBondContact O-CD 3.38Å; P10-P14 WeakPolarHBondContact O-CD 3.42Å; P10-P14 VanDerWaalsContact O-CG 3.26Å; P10-P14 WeakPolarHBondContact O-CG 3.43Å
11L71.1Confident69.9Low121 Ų121116.1 Ų116.163%0.63463%0.626SS**Hα-helixtrans-94-34.1175-165.579.1000111.6L8 L9 P14 L15L8-L11 PolarHBondContact O-N 2.58Å; L9-L11 PolarHBondContact O-N 3.19Å; L11-P14 WeakPolarHBondContact O-CD 3.2Å; L11-P14 WeakPolarHBondContact O-CG 3.46Å; L11-L15 WeakPolarHBondContact O-CB 3.3Å; L11-L15 PolarHBondContact O-N 2.61Å
12L77Confident70.7Confident104 Ų104108.2 Ų108.255%0.54559%0.591SS.*Hα-helixtrans-71.3-37.1177.2-78.5165.8000112.3L8 L9 L15 L16L8-L12 HydrophobicContact CB-CD1 4.22Å; L8-L12 WeakPolarHBondContact O-CB 3.33Å; L8-L12 WeakPolarHBondContact O-CG 3.46Å; L8-L12 PolarHBondContact O-N 3Å; L9-L12 PolarHBondContact O-N 3.37Å; L12-L15 PolarHBondContact O-N 3.2Å; L12-L16 VanDerWaalsContact O-CB 3.31Å; L12-L16 WeakPolarHBondContact O-CB 3.5Å; L12-L16 PolarHBondContact O-N 3.38Å
13L79.7Confident71.1Confident119 Ų119109.3 Ų109.362%0.62360%0.598SS**Hα-helixtrans-60.5-50179.7-136112.4000113.6L9 L15 L16 W17L9-L13 PolarHBondContact O-N 2.76Å; L9-L13 VanDerWaalsContact O-N 3.1Å; L13-L15 VanDerWaalsContact C-N 3.34Å; L13-L16 PolarHBondContact O-N 2.93Å; L13-W17 WeakPolarHBondContact O-CB 3.42Å; L13-W17 PolarHBondContact O-N 3.21Å
14P78.8Confident71.4Confident65 Ų65107.5 Ų107.542%0.42260%0.596SS.*Hα-helixtrans-70-30.3176.327.1-34.6000112.3P10 L11 W17 L18P10-P14 WeakPolarHBondContact O-CD 3.42Å; P10-P14 VanDerWaalsContact O-CG 3.26Å; P10-P14 WeakPolarHBondContact O-CG 3.43Å; L11-P14 WeakPolarHBondContact O-CD 3.2Å; L11-P14 WeakPolarHBondContact O-CG 3.46Å; P14-W17 PolarHBondContact O-N 3.49Å; P14-L18 WeakPolarHBondContact O-CB 3.39Å; P14-L18 PolarHBondContact O-N 3.32Å
15L76.8Confident71.5Confident108 Ų108108.2 Ų108.257%0.56560%0.598SS**Hα-helixtrans-67.7-42175.7-173.966.2000111.7L11 L12 L13 L18 L19L11-L15 WeakPolarHBondContact O-CB 3.3Å; L11-L15 PolarHBondContact O-N 2.61Å; L12-L15 PolarHBondContact O-N 3.2Å; L13-L15 VanDerWaalsContact C-N 3.34Å; L15-L18 PolarHBondContact O-N 3.39Å; L15-L19 WeakPolarHBondContact O-CB 3.49Å; L15-L19 PolarHBondContact O-N 2.92Å
16L78.6Confident71.3Confident109 Ų109111.2 Ų111.257%0.57161%0.608SS**Hα-helixtrans-67.9-40.9174.6-175.464.7000111.1L12 L13 L18 L19 V20L12-L16 VanDerWaalsContact O-CB 3.31Å; L12-L16 WeakPolarHBondContact O-CB 3.5Å; L12-L16 PolarHBondContact O-N 3.38Å; L13-L16 PolarHBondContact O-N 2.93Å; L16-L18 VanDerWaalsContact C-N 3.34Å; L16-L19 PolarHBondContact O-N 3.1Å; L16-V20 VanDerWaalsContact O-CG2 3.3Å; L16-V20 WeakPolarHBondContact O-CG2 3.46Å; L16-V20 PolarHBondContact O-N 3.13Å
17W80.4Confident71.4Confident172 Ų172110.1 Ų110.165%0.65262%0.616SS**Hα-helixtrans-62.9-42175.2-168.458000111.5L13 P14 L19 V20 L21L13-W17 WeakPolarHBondContact O-CB 3.42Å; L13-W17 PolarHBondContact O-N 3.21Å; P14-W17 PolarHBondContact O-N 3.49Å; W17-L19 VanDerWaalsContact C-N 3.35Å; W17-V20 PolarHBondContact O-N 3.14Å; W17-L21 HydrophobicContact CD2-CD1 4.36Å; W17-L21 HydrophobicContact CD2-CD2 4.31Å; W17-L21 HydrophobicContact CG-CD1 4.35Å; W17-L21 HydrophobicContact CH2-CD2 3.99Å; W17-L21 HydrophobicContact CZ2-CD1 4.37Å; W17-L21 HydrophobicContact CZ2-CD2 3.67Å; W17-L21 HydrophobicContact CZ3-CD2 4.42Å; W17-L21 WeakPolarHBondContact O-CB 3.26Å; W17-L21 PolarHBondContact O-N 2.75Å
18L77.5Confident71.1Confident107 Ų107104.7 Ų104.756%0.5662%0.615SS**Hα-helixtrans-62.7-41.5174-172.266.8000111.4P14 L15 L16 V20 L21 T22P14-L18 WeakPolarHBondContact O-CB 3.39Å; P14-L18 PolarHBondContact O-N 3.32Å; L15-L18 PolarHBondContact O-N 3.39Å; L16-L18 VanDerWaalsContact C-N 3.34Å; L18-V20 VanDerWaalsContact C-N 3.33Å; L18-V20 PolarHBondContact O-N 3.05Å; L18-L21 PolarHBondContact O-N 3.38Å; L18-T22 HydrophobicContact CG-CG2 4.48Å; L18-T22 WeakPolarHBondContact O-CB 3.47Å; L18-T22 WeakPolarHBondContact O-CG2 3.44Å; L18-T22 PolarHBondContact O-N 3.45Å; L18-T22 PolarHBondContact O-OG1 3.36Å
19L74.4Confident70.6Confident124 Ų124103 Ų10365%0.64962%0.62SS**Hα-helixtrans-65.7-35.3177.7-171.165.1000112.5L15 L16 W17 T22L15-L19 WeakPolarHBondContact O-CB 3.49Å; L15-L19 PolarHBondContact O-N 2.92Å; L16-L19 PolarHBondContact O-N 3.1Å; W17-L19 VanDerWaalsContact C-N 3.35Å; L19-T22 WeakPolarHBondContact CA-OG1 3.38Å; L19-T22 PolarHBondContact O-OG1 3.28Å
20V75.4Confident70.1Confident111 Ų111106.6 Ų106.667%0.67364%0.639SS**Hα-helixtrans-74.9-34.8175.4171.30000111.6L16 W17 L18L16-V20 VanDerWaalsContact O-CG2 3.3Å; L16-V20 WeakPolarHBondContact O-CG2 3.46Å; L16-V20 PolarHBondContact O-N 3.13Å; W17-V20 PolarHBondContact O-N 3.14Å; L18-V20 VanDerWaalsContact C-N 3.33Å; L18-V20 PolarHBondContact O-N 3.05Å
21L73.3Confident69.2Low95 Ų95106.1 Ų106.150%0.49764%0.638SS.*Hα-helixtrans-83.1-19.8178.4-100.367.2000113.8W17 L18 P23W17-L21 HydrophobicContact CD2-CD1 4.36Å; W17-L21 HydrophobicContact CD2-CD2 4.31Å; W17-L21 HydrophobicContact CG-CD1 4.35Å; W17-L21 HydrophobicContact CH2-CD2 3.99Å; W17-L21 HydrophobicContact CZ2-CD1 4.37Å; W17-L21 HydrophobicContact CZ2-CD2 3.67Å; W17-L21 HydrophobicContact CZ3-CD2 4.42Å; W17-L21 WeakPolarHBondContact O-CB 3.26Å; W17-L21 PolarHBondContact O-N 2.75Å; L18-L21 PolarHBondContact O-N 3.38Å; L21-P23 WeakPolarHBondContact O-CD 3.34Å
22T72.3Confident68.8Low70 Ų70107.1 Ų107.143%0.42965%0.65SS.*SBendtrans-72114.9172.741.10000108.6L18 L19 G24L18-T22 HydrophobicContact CG-CG2 4.48Å; L18-T22 WeakPolarHBondContact O-CB 3.47Å; L18-T22 WeakPolarHBondContact O-CG2 3.44Å; L18-T22 PolarHBondContact O-N 3.45Å; L18-T22 PolarHBondContact O-OG1 3.36Å; L19-T22 WeakPolarHBondContact CA-OG1 3.38Å; L19-T22 PolarHBondContact O-OG1 3.28Å; T22-G24 PolarHBondContact O-N 3.05Å
23P62.4Low67.9Low119 Ų119106.8 Ų106.877%0.77366%0.655SS**PPolyproline II helixtrans-59.71171653.87.8000106L21L21-P23 WeakPolarHBondContact O-CD 3.34Å
24G65.9Low67.1Low54 Ų54110 Ų11056%0.55766%0.664SS**PPolyproline II helixtrans-52.5147.6173.200000109.2T22T22-G24 PolarHBondContact O-N 3.05Å
25P65.9Low66.6Low122 Ų122113.4 Ų113.479%0.79268%0.684SS**PPolyproline II helixtrans-49.6132.217221.4-31000107.2A27P25-A27 PolarHBondContact O-N 3.29Å
26P57.2Low66.3Low118 Ų118113.7 Ų113.777%0.76669%0.685SS**PPolyproline II helixtrans-52.3120177.522.6-31.5000105.3A28P26-A28 PolarHBondContact O-N 2.85Å
27A62.5Low66.6Low98 Ų98112.5 Ų112.581%0.8168%0.679SS**  trans-57.795165.500000103.6P25 G29P25-A27 PolarHBondContact O-N 3.29Å; A27-G29 PolarHBondContact O-N 2.89Å
28A58.8Low67.1Low88 Ų88109 Ų10973%0.72767%0.671SS**  trans-56.8102171.700000102.4P26 L30P26-A28 PolarHBondContact O-N 2.85Å; A28-L30 PolarHBondContact O-N 3.17Å
29G54.2Low67.7Low62 Ų62108 Ų10864%0.63966%0.664SS**  trans-48133.2-173.200000107A27 S31A27-G29 PolarHBondContact O-N 2.89Å; G29-S31 PolarHBondContact O-N 3.35Å
30L59.3Low68.4Low179 Ų179106.6 Ų106.694%0.93766%0.656SS**  trans-66.659.1169.1-62.5172.6000108.1A28 T32A28-L30 PolarHBondContact O-N 3.17Å; L30-T32 PolarHBondContact O-N 2.92Å
31S52.7Low69.3Low83 Ų83103.4 Ų103.458%0.5864%0.637SS**  trans-83.1110171-172.10000104.5G29 C33G29-S31 PolarHBondContact O-N 3.35Å; S31-C33 PolarHBondContact O-N 3.49Å; S31-C33 WeakPolarHBondContact OG-CB 3.27Å; S31-C33 PolarHBondContact OG-SG 3.49Å
32T61.7Low70.3Confident143 Ų143104.2 Ų104.288%0.87764%0.636SS**  trans-62.613171.153.60000112.7L30 K34L30-T32 PolarHBondContact O-N 2.92Å; T32-K34 PolarHBondContact O-N 2.89Å
33C58.5Low71.4Confident96 Ų96108 Ų10865%0.64964%0.643SS**  trans-85.692.1176.8-62.90000109.4S31 T35S31-C33 PolarHBondContact O-N 3.49Å; S31-C33 WeakPolarHBondContact OG-CB 3.27Å; S31-C33 PolarHBondContact OG-SG 3.49Å; C33-T35 PolarHBondContact O-N 3.32Å
34K62.8Low72.9Confident186 Ų186109.6 Ų109.681%0.80964%0.637SS**  trans-54.4121.6164-174.8159.4176.564.90108.3T32 I36T32-K34 PolarHBondContact O-N 2.89Å; K34-I36 VanDerWaalsContact C-N 3.32Å; K34-I36 PolarHBondContact O-N 2.84Å
35T67.6Low74.4Confident138 Ų138115.1 Ų115.185%0.84764%0.641SS**  trans-59.199.116751.60000107.4C33C33-T35 PolarHBondContact O-N 3.32Å
36I70.7Confident75.9Confident114 Ų114114.7 Ų114.759%0.58563%0.631SS**  trans-82.9122.1-179.6-177.4167.1000108.2K34 M38 V41K34-I36 VanDerWaalsContact C-N 3.32Å; K34-I36 PolarHBondContact O-N 2.84Å; I36-M38 HydrophobicContact CB-CE 4Å; I36-M38 HydrophobicContact CD1-CE 3.99Å; I36-M38 HydrophobicContact CG1-CE 3.63Å; I36-M38 HydrophobicContact CG2-CE 3.4Å; I36-M38 VanDerWaalsContact CG2-CE 3.4Å; I36-M38 PolarHBondContact O-N 3.3Å; I36-M38 VanDerWaalsContact O-N 3.13Å; I36-V41 HydrophobicContact CD1-CG2 3.53Å; I36-V41 HydrophobicContact CG1-CG2 3.8Å
37D85.6Confident77.7Confident84 Ų84116.3 Ų116.345%0.44963%0.629SS.*  trans-70.8107.8175.1-175.6-7.9000109E39 L40 V41D37-E39 PolarHBondContact O-N 3.16Å; D37-E39 VanDerWaalsContact OD1-CB 3.3Å; D37-E39 WeakPolarHBondContact OD1-CB 3.37Å; D37-E39 PolarHBondContact OD1-N 2.91Å; D37-L40 HydrophobicContact CB-CB 4.25Å; D37-L40 HydrophobicContact CB-CD1 3.94Å; D37-L40 HydrophobicContact CB-CG 3.99Å; D37-L40 PolarHBondContact O-N 3.49Å; D37-L40 VanDerWaalsContact O-N 3.16Å; D37-V41 PolarHBondContact O-N 2.89Å
38M90.8Very high79.3Confident97 Ų97114.6 Ų114.648%0.47861%0.614SS.*Hα-helixtrans-62.3-26.9178.6-69.9-64.787.900112.4I36 L40 V41 K42I36-M38 HydrophobicContact CB-CE 4Å; I36-M38 HydrophobicContact CD1-CE 3.99Å; I36-M38 HydrophobicContact CG1-CE 3.63Å; I36-M38 HydrophobicContact CG2-CE 3.4Å; I36-M38 VanDerWaalsContact CG2-CE 3.4Å; I36-M38 PolarHBondContact O-N 3.3Å; I36-M38 VanDerWaalsContact O-N 3.13Å; M38-L40 VanDerWaalsContact C-N 3.33Å; M38-V41 HydrophobicContact CE-CB 4.29Å; M38-V41 HydrophobicContact CE-CG2 3.83Å; M38-V41 PolarHBondContact O-N 3.22Å; M38-K42 WeakPolarHBondContact O-CB 3.48Å; M38-K42 VanDerWaalsContact O-CG 3.27Å; M38-K42 WeakPolarHBondContact O-CG 3.42Å; M38-K42 PolarHBondContact O-N 3.28Å
39E90.4Very high81.1Confident88 Ų88114.1 Ų114.141%0.41160%0.598SS.*Hα-helixtrans-67.4-38.3176.2-65.3-59.8111.200110.8D37 K42 R43D37-E39 PolarHBondContact O-N 3.16Å; D37-E39 VanDerWaalsContact OD1-CB 3.3Å; D37-E39 WeakPolarHBondContact OD1-CB 3.37Å; D37-E39 PolarHBondContact OD1-N 2.91Å; E39-K42 PolarHBondContact O-N 2.99Å; E39-K42 IonicContact OE1-NZ 2.77Å; E39-K42 PolarHBondContact OE1-NZ 3.1Å; E39-R43 WeakPolarHBondContact O-CB 3.26Å; E39-R43 VanDerWaalsContact O-CG 3.27Å; E39-R43 WeakPolarHBondContact O-CG 3.39Å; E39-R43 PolarHBondContact O-N 2.89Å
40L89.1Confident83.1Confident94 Ų94114.2 Ų114.249%0.49259%0.588SS.*Hα-helixtrans-66.2-38.4173.6-67.1179.5000112.3D37 M38 K44D37-L40 HydrophobicContact CB-CB 4.25Å; D37-L40 HydrophobicContact CB-CD1 3.94Å; D37-L40 HydrophobicContact CB-CG 3.99Å; D37-L40 PolarHBondContact O-N 3.49Å; D37-L40 VanDerWaalsContact O-N 3.16Å; M38-L40 VanDerWaalsContact C-N 3.33Å; L40-K44 WeakPolarHBondContact O-CG 3.45Å; L40-K44 PolarHBondContact O-N 3.4Å
41V93.1Very high84.9Confident44 Ų44107.8 Ų107.827%0.26757%0.565SS.*Hα-helixtrans-66.2-44176.1175.30000111.3I36 D37 M38 K44 R45I36-V41 HydrophobicContact CD1-CG2 3.53Å; I36-V41 HydrophobicContact CG1-CG2 3.8Å; D37-V41 PolarHBondContact O-N 2.89Å; M38-V41 HydrophobicContact CE-CB 4.29Å; M38-V41 HydrophobicContact CE-CG2 3.83Å; M38-V41 PolarHBondContact O-N 3.22Å; V41-K44 PolarHBondContact O-N 2.95Å; V41-R45 WeakPolarHBondContact O-CG 3.36Å; V41-R45 PolarHBondContact O-N 3.45Å
42K94.9Very high87Confident111 Ų111108.8 Ų108.848%0.48356%0.561SS.*Hα-helixtrans-60.9-46.7176.2-71.7172.3-168.7168.40111.1M38 E39 K44 R45 I46M38-K42 WeakPolarHBondContact O-CB 3.48Å; M38-K42 VanDerWaalsContact O-CG 3.27Å; M38-K42 WeakPolarHBondContact O-CG 3.42Å; M38-K42 PolarHBondContact O-N 3.28Å; E39-K42 PolarHBondContact O-N 2.99Å; E39-K42 IonicContact OE1-NZ 2.77Å; E39-K42 PolarHBondContact OE1-NZ 3.1Å; K42-K44 PolarHBondContact O-N 3.19Å; K42-R45 PolarHBondContact O-N 2.82Å; K42-R45 VanDerWaalsContact O-N 3.13Å; K42-I46 VanDerWaalsContact O-CG1 3.26Å; K42-I46 WeakPolarHBondContact O-CG1 3.39Å; K42-I46 PolarHBondContact O-N 3.44Å
43R94.5Very high88.6Confident151 Ų151106.2 Ų106.257%0.5754%0.541SS*.Hα-helixtrans-57.5-48.2176.8-73.7176.6-166.4-1714.6112E39 R45 I46 E47E39-R43 WeakPolarHBondContact O-CB 3.26Å; E39-R43 VanDerWaalsContact O-CG 3.27Å; E39-R43 WeakPolarHBondContact O-CG 3.39Å; E39-R43 PolarHBondContact O-N 2.89Å; R43-R45 VanDerWaalsContact C-N 3.28Å; R43-R45 PolarHBondContact O-N 3.18Å; R43-I46 PolarHBondContact O-N 3.42Å; R43-I46 VanDerWaalsContact O-N 3.13Å; R43-E47 WeakPolarHBondContact O-CG 3.31Å; R43-E47 PolarHBondContact O-N 3.07Å
44K95.8Very high90.5Very high151 Ų151103.4 Ų103.466%0.65752%0.519SS*.Hα-helixtrans-58.5-39.4175.6-74.4-178.4177.1-172.80112.7L40 V41 K42 A48L40-K44 WeakPolarHBondContact O-CG 3.45Å; L40-K44 PolarHBondContact O-N 3.4Å; V41-K44 PolarHBondContact O-N 2.95Å; K42-K44 PolarHBondContact O-N 3.19Å; K44-A48 WeakPolarHBondContact O-CB 3.35Å; K44-A48 PolarHBondContact O-N 2.9Å
45R96.4Very high92.1Very high171 Ų17196.6 Ų96.665%0.64550%0.495SS*.Hα-helixtrans-67.7-43.3175.1-75.9-178.2174.4-97.22111.8V41 K42 R43 E47 A48 I49V41-R45 WeakPolarHBondContact O-CG 3.36Å; V41-R45 PolarHBondContact O-N 3.45Å; K42-R45 PolarHBondContact O-N 2.82Å; K42-R45 VanDerWaalsContact O-N 3.13Å; R43-R45 VanDerWaalsContact C-N 3.28Å; R43-R45 PolarHBondContact O-N 3.18Å; R45-E47 PolarHBondContact O-N 3.06Å; R45-A48 PolarHBondContact O-N 2.88Å; R45-A48 VanDerWaalsContact O-N 3.16Å; R45-I49 HydrophobicContact CB-CD1 4.41Å; R45-I49 WeakPolarHBondContact O-CB 3.39Å; R45-I49 WeakPolarHBondContact O-CD1 2.89Å; R45-I49 WeakPolarHBondContact O-CG1 3.44Å; R45-I49 PolarHBondContact O-N 3.05Å
46I96.5Very high93.5Very high113 Ų11393.6 Ų93.658%0.57947%0.47SS*.Hα-helixtrans-60.2-35.6177.4-69.2163.1000111K42 R43 P50K42-I46 VanDerWaalsContact O-CG1 3.26Å; K42-I46 WeakPolarHBondContact O-CG1 3.39Å; K42-I46 PolarHBondContact O-N 3.44Å; R43-I46 PolarHBondContact O-N 3.42Å; R43-I46 VanDerWaalsContact O-N 3.13Å; I46-P50 WeakPolarHBondContact O-CD 3.26Å; I46-P50 WeakPolarHBondContact O-CG 3.49Å
47E96.3Very high94.7Very high152 Ų15292.5 Ų92.571%0.7147%0.465SS*.Hα-helixtrans-76.1-33.4175.9-70.8171.3-169.400112.9R43 R45R43-E47 WeakPolarHBondContact O-CG 3.31Å; R43-E47 PolarHBondContact O-N 3.07Å; R45-E47 PolarHBondContact O-N 3.06Å
48A96.2Very high95.2Very high61 Ų6197 Ų9750%0.50448%0.475SS..Hα-helixtrans-79.1-35.8-178.600000113.7K44 R45 G51 Q52K44-A48 WeakPolarHBondContact O-CB 3.35Å; K44-A48 PolarHBondContact O-N 2.9Å; R45-A48 PolarHBondContact O-N 2.88Å; R45-A48 VanDerWaalsContact O-N 3.16Å; A48-G51 PolarHBondContact O-N 3.29Å; A48-Q52 PolarHBondContact O-N 2.95Å; A48-Q52 VanDerWaalsContact O-N 3.11Å
49I96.8Very high95.4Very high78 Ų7895.8 Ų95.840%0.447%0.471SS..Hα-helixtrans-59-43.6-176.4-73.1163.2000112.8R45 G51 Q52 I53R45-I49 HydrophobicContact CB-CD1 4.41Å; R45-I49 WeakPolarHBondContact O-CB 3.39Å; R45-I49 WeakPolarHBondContact O-CD1 2.89Å; R45-I49 WeakPolarHBondContact O-CG1 3.44Å; R45-I49 PolarHBondContact O-N 3.05Å; I49-G51 VanDerWaalsContact C-N 3.32Å; I49-G51 PolarHBondContact O-N 3.28Å; I49-Q52 WeakPolarHBondContact O-CA 3.5Å; I49-Q52 WeakPolarHBondContact O-CB 3.27Å; I49-Q52 PolarHBondContact O-N 2.87Å; I49-Q52 VanDerWaalsContact O-N 3.08Å; I49-I53 HydrophobicContact CG2-CD1 3.65Å; I49-I53 HydrophobicContact CG2-CG1 4.18Å; I49-I53 WeakPolarHBondContact O-CG1 3.16Å; I49-I53 PolarHBondContact O-N 2.99Å
50P96.4Very high95.7Very high64 Ų6496.7 Ų96.742%0.41649%0.493SS..Hα-helixtrans-57.8-42.9176.9-27.234.2000112.8I46 Q52 I53 L54I46-P50 WeakPolarHBondContact O-CD 3.26Å; I46-P50 WeakPolarHBondContact O-CG 3.49Å; P50-Q52 VanDerWaalsContact C-N 3.29Å; P50-Q52 PolarHBondContact O-N 2.69Å; P50-I53 PolarHBondContact O-N 2.94Å; P50-L54 WeakPolarHBondContact O-CB 3.49Å; P50-L54 VanDerWaalsContact O-CG 3.31Å; P50-L54 WeakPolarHBondContact O-CG 3.34Å; P50-L54 PolarHBondContact O-N 3.5Å
51G95.9Very high95.9Very high45 Ų4595.9 Ų95.946%0.46450%0.495SS..Hα-helixtrans-63-38.1175.500000112A48 I49 S55A48-G51 PolarHBondContact O-N 3.29Å; I49-G51 VanDerWaalsContact C-N 3.32Å; I49-G51 PolarHBondContact O-N 3.28Å; G51-S55 VanDerWaalsContact O-CB 3.26Å; G51-S55 WeakPolarHBondContact O-CB 3.47Å; G51-S55 PolarHBondContact O-N 3.08Å; G51-S55 PolarHBondContact O-OG 3.44Å
52Q96.4Very high96Very high103 Ų10398.4 Ų98.448%0.48151%0.513SS..Hα-helixtrans-65.7-43.1174.7-170.4-179.87.200112.5A48 I49 P50 S55 K56A48-Q52 PolarHBondContact O-N 2.95Å; A48-Q52 VanDerWaalsContact O-N 3.11Å; I49-Q52 WeakPolarHBondContact O-CA 3.5Å; I49-Q52 WeakPolarHBondContact O-CB 3.27Å; I49-Q52 PolarHBondContact O-N 2.87Å; I49-Q52 VanDerWaalsContact O-N 3.08Å; P50-Q52 VanDerWaalsContact C-N 3.29Å; P50-Q52 PolarHBondContact O-N 2.69Å; Q52-S55 WeakPolarHBondContact CA-OG 3.36Å; Q52-S55 PolarHBondContact O-OG 3.47Å; Q52-K56 HydrophobicContact CG-CD 4.49Å; Q52-K56 WeakPolarHBondContact O-CB 3.3Å; Q52-K56 VanDerWaalsContact O-CG 3.27Å; Q52-K56 WeakPolarHBondContact O-CG 3.45Å; Q52-K56 PolarHBondContact O-N 3.11Å
53I96.6Very high95.9Very high90 Ų9097.6 Ų97.646%0.46252%0.519SS..Hα-helixtrans-65.8-48.6178.7-66.6168.6000110.3I49 P50 S55 K56 L57I49-I53 HydrophobicContact CG2-CD1 3.65Å; I49-I53 HydrophobicContact CG2-CG1 4.18Å; I49-I53 WeakPolarHBondContact O-CG1 3.16Å; I49-I53 PolarHBondContact O-N 2.99Å; P50-I53 PolarHBondContact O-N 2.94Å; I53-S55 PolarHBondContact O-N 3.37Å; I53-K56 PolarHBondContact O-N 3.25Å; I53-L57 HydrophobicContact CG2-CD1 3.93Å; I53-L57 WeakPolarHBondContact O-CG 3.3Å; I53-L57 PolarHBondContact O-N 3.42Å
54L97.3Very high95.7Very high36 Ų3695.2 Ų95.219%0.18853%0.525CS..Hα-helixtrans-63.1-42.3-179-71.9176.1000112.1P50 L57 R58 L59P50-L54 WeakPolarHBondContact O-CB 3.49Å; P50-L54 VanDerWaalsContact O-CG 3.31Å; P50-L54 WeakPolarHBondContact O-CG 3.34Å; P50-L54 PolarHBondContact O-N 3.5Å; L54-L57 CarbonylContact O-C 3.54Å; L54-L57 PolarHBondContact O-N 2.91Å; L54-R58 PolarHBondContact O-N 3.34Å; L54-L59 WeakPolarHBondContact CB-O 3.27Å; L54-L59 HydrophobicContact CD2-CB 3.86Å; L54-L59 PolarHBondContact O-N 2.95Å
55S96.6Very high95.5Very high43 Ų4396 Ų9630%0.30153%0.531SS..Hα-helixtrans-64.7-40.6175.353.80000112.8G51 Q52 I53 L57 R58 Y103 Y104G51-S55 VanDerWaalsContact O-CB 3.26Å; G51-S55 WeakPolarHBondContact O-CB 3.47Å; G51-S55 PolarHBondContact O-N 3.08Å; G51-S55 PolarHBondContact O-OG 3.44Å; Q52-S55 WeakPolarHBondContact CA-OG 3.36Å; Q52-S55 PolarHBondContact O-OG 3.47Å; I53-S55 PolarHBondContact O-N 3.37Å; S55-L57 VanDerWaalsContact C-N 3.32Å; S55-L57 PolarHBondContact O-N 3.16Å; S55-R58 PolarHBondContact O-N 3.06Å; S55-Y103 PolarHBondContact OG-OH 2.85Å; S55-Y103 VanDerWaalsContact OG-OH 3.07Å; S55-Y104 WeakPolarHBondContact O-CD1 3.26Å; S55-Y104 WeakPolarHBondContact O-CE1 3.48Å
56K96.9Very high94.9Very high75 Ų7591.6 Ų91.633%0.32654%0.539SS..Hα-helixtrans-61.6-38.1173.5-79.1-175.3163.7-73.80112.8Q52 I53 R58 Y103 A105Q52-K56 HydrophobicContact CG-CD 4.49Å; Q52-K56 WeakPolarHBondContact O-CB 3.3Å; Q52-K56 VanDerWaalsContact O-CG 3.27Å; Q52-K56 WeakPolarHBondContact O-CG 3.45Å; Q52-K56 PolarHBondContact O-N 3.11Å; I53-K56 PolarHBondContact O-N 3.25Å; K56-R58 VanDerWaalsContact C-N 3.34Å; K56-Y103 WeakPolarHBondContact CG-O 2.97Å; K56-Y103 PolarHBondContact NZ-O 2.82Å; K56-A105 PolarHBondContact O-N 3.48Å
57L96.6Very high94.3Very high91 Ų9194.9 Ų94.948%0.47655%0.552SS.*Hα-helixtrans-84.9-3.9178.4-64.1177.2000113.9I53 L54 S55 L59 A105I53-L57 HydrophobicContact CG2-CD1 3.93Å; I53-L57 WeakPolarHBondContact O-CG 3.3Å; I53-L57 PolarHBondContact O-N 3.42Å; L54-L57 CarbonylContact O-C 3.54Å; L54-L57 PolarHBondContact O-N 2.91Å; S55-L57 VanDerWaalsContact C-N 3.32Å; S55-L57 PolarHBondContact O-N 3.16Å; L57-L59 VanDerWaalsContact C-N 3.26Å; L57-L59 HydrophobicContact CB-CD1 3.93Å; L57-L59 HydrophobicContact CB-CG 3.94Å; L57-L59 HydrophobicContact CD1-CD1 4.14Å; L57-L59 PolarHBondContact O-N 3.44Å; L57-A105 HydrophobicContact CD2-CB 3.78Å
58R96.2Very high94Very high178 Ų17892.2 Ų92.267%0.67255%0.546SS*.THydrogen-bonded Turntrans58.135.8-173.8-56.6-179.2171176-2.4113.5L54 S55 K56 Y104L54-R58 PolarHBondContact O-N 3.34Å; S55-R58 PolarHBondContact O-N 3.06Å; K56-R58 VanDerWaalsContact C-N 3.34Å; R58-Y104 HydrophobicContact CG-CD1 3.42Å; R58-Y104 VanDerWaalsContact CG-CD1 3.42Å; R58-Y104 HydrophobicContact CG-CE1 3.53Å; R58-Y104 HydrophobicContact CG-CG 4.33Å; R58-Y104 VanDerWaalsContact NE-CD1 3.27Å
59L95.6Very high93.7Very high72 Ų7294.3 Ų94.338%0.37756%0.555SS.*  trans-105.7139177.4-62.7176.3000110.2L54 L57L54-L59 WeakPolarHBondContact CB-O 3.27Å; L54-L59 HydrophobicContact CD2-CB 3.86Å; L54-L59 PolarHBondContact O-N 2.95Å; L57-L59 VanDerWaalsContact C-N 3.26Å; L57-L59 HydrophobicContact CB-CD1 3.93Å; L57-L59 HydrophobicContact CB-CG 3.94Å; L57-L59 HydrophobicContact CD1-CD1 4.14Å; L57-L59 PolarHBondContact O-N 3.44Å
60A94.8Very high93.4Very high107 Ų10797 Ų9788%0.88458%0.577SS**SBendtrans-80.7-29.7174.100000112.3
61S94.7Very high93.1Very high77 Ų7796.7 Ų96.754%0.53859%0.585SS.*SBendtrans-148.4161.3-179.360.30000110.4
62P94.4Very high93Very high98 Ų98100.7 Ų100.764%0.63660%0.603SS**PPolyproline II helixtrans-56.3136.9172.5-2434.7000111.4
63P92.8Very high92.9Very high94 Ų94100.7 Ų100.761%0.6161%0.606SS**PPolyproline II helixtrans-71.4152.8178.529.9-33.3000111Q65P63-Q65 PolarHBondContact O-N 3.43Å
64S91.8Very high92.8Very high101 Ų101100.4 Ų100.471%0.70661%0.61SS**PPolyproline II helixtrans-66.9130.6175.749.90000111.2G66S64-G66 VanDerWaalsContact C-N 3.33Å
65Q89.6Confident92.7Very high167 Ų167106.7 Ų106.778%0.7864%0.639SS**  trans-87.61.4177.8-65.5-172.9-17.200113.9P63 E67 V68P63-Q65 PolarHBondContact O-N 3.43Å; Q65-E67 PolarHBondContact O-N 3.41Å; Q65-V68 HydrophobicContact CB-CG2 4.48Å; Q65-V68 WeakPolarHBondContact O-CB 3.38Å; Q65-V68 PolarHBondContact O-N 3Å; Q65-V68 VanDerWaalsContact O-N 3.1Å
66G83.9Confident92.5Very high79 Ų79107.5 Ų107.581%0.81465%0.648SS**THydrogen-bonded Turntrans-64-23.1-172.800000115S64S64-G66 VanDerWaalsContact C-N 3.33Å
67E84.8Confident92.4Very high182 Ų182107.3 Ų107.385%0.8565%0.653SS**THydrogen-bonded Turntrans-94.9-4.1178.7-64.2179.2-179.300113.1Q65 P69Q65-E67 PolarHBondContact O-N 3.41Å; E67-P69 WeakPolarHBondContact O-CD 3.41Å
68V89.6Confident92.4Very high96 Ų96106.5 Ų106.558%0.58265%0.649SS**SBendtrans-77.6122-178.5-178.50000108.8Q65Q65-V68 HydrophobicContact CB-CG2 4.48Å; Q65-V68 WeakPolarHBondContact O-CB 3.38Å; Q65-V68 PolarHBondContact O-N 3Å; Q65-V68 VanDerWaalsContact O-N 3.1Å
69P90.3Very high92.2Very high105 Ų10599.8 Ų99.868%0.68263%0.631SS**PPolyproline II helixtrans-62.9133.4179.125-32.8000110E67E67-P69 WeakPolarHBondContact O-CD 3.41Å
70P90.1Very high92.2Very high133 Ų13398.1 Ų98.186%0.86462%0.622SS**SBendtrans-70.4141.8174.529.9-33.9000109.9
71G90.3Very high92.2Very high58 Ų58100 Ų10060%0.59861%0.607SS**SBendtrans128.6-170.1175.400000113.7
72P93.4Very high92.2Very high129 Ų12999.5 Ų99.584%0.83860%0.599SS**PPolyproline II helixtrans-67.6146.5178.928.5-33.4000111.1
73L94.3Very high92Very high104 Ų10497.3 Ų97.355%0.54559%0.586SS.*PPolyproline II helixtrans-64.6148172.5-90.567.8000110.4E75 V77 L78L73-E75 PolarHBondContact O-N 2.83Å; L73-V77 HydrophobicContact CD2-CG1 4.03Å; L73-L78 HydrophobicContact CB-CD2 4.16Å; L73-L78 HydrophobicContact CB-CG 4.1Å
74P95.2Very high91.9Very high84 Ų8495 Ų9555%0.54557%0.57SS.*PPolyproline II helixtrans-56.5139.4174-23.333000112A76 V77 L78P74-A76 PolarHBondContact O-N 3.13Å; 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 3.35Å; P74-V77 PolarHBondContact O-N 3.32Å; P74-L78 PolarHBondContact O-N 3.45Å; P74-L78 VanDerWaalsContact O-N 3.16Å
75E94.8Very high91.8Very high168 Ų16896.3 Ų96.379%0.78556%0.56SS**Hα-helixtrans-56.4-33.9-178.7-69.3-165.9174.700113L73 V77 L78 A79L73-E75 PolarHBondContact O-N 2.83Å; E75-V77 VanDerWaalsContact C-N 3.29Å; E75-V77 PolarHBondContact O-N 2.94Å; E75-L78 PolarHBondContact O-N 2.77Å; E75-A79 VanDerWaalsContact O-CB 3.3Å; E75-A79 WeakPolarHBondContact O-CB 3.46Å; E75-A79 PolarHBondContact O-N 3.25Å
76A93.2Very high91.7Very high60 Ų6092.4 Ų92.450%0.49654%0.544SS..Hα-helixtrans-60.1-38.8176.100000112.6P74 L80P74-A76 PolarHBondContact O-N 3.13Å; P74-A76 VanDerWaalsContact O-N 3.13Å; A76-L80 WeakPolarHBondContact O-CB 3.21Å; A76-L80 PolarHBondContact O-N 3.13Å; A76-L80 VanDerWaalsContact O-N 3.1Å
77V94.8Very high91.6Very high70 Ų7098.4 Ų98.442%0.42454%0.542SS..Hα-helixtrans-71.8-43.4177.6179.90000110.3L73 P74 E75 A79 L80 Y81L73-V77 HydrophobicContact CD2-CG1 4.03Å; P74-V77 HydrophobicContact CB-CG2 4.23Å; P74-V77 HydrophobicContact CG-CG2 4.34Å; P74-V77 WeakPolarHBondContact O-CB 3.35Å; P74-V77 PolarHBondContact O-N 3.32Å; E75-V77 VanDerWaalsContact C-N 3.29Å; E75-V77 PolarHBondContact O-N 2.94Å; V77-A79 PolarHBondContact O-N 3.3Å; V77-L80 PolarHBondContact O-N 3.04Å; V77-Y81 WeakPolarHBondContact O-CB 3.31Å; V77-Y81 PolarHBondContact O-N 2.9Å
78L95.1Very high91.1Very high75 Ų7595.7 Ų95.739%0.39354%0.538SS..Hα-helixtrans-61.5-44.6176.8-69.1173000111.9L73 P74 E75 L80 Y81 N82L73-L78 HydrophobicContact CB-CD2 4.16Å; L73-L78 HydrophobicContact CB-CG 4.1Å; P74-L78 PolarHBondContact O-N 3.45Å; P74-L78 VanDerWaalsContact O-N 3.16Å; E75-L78 PolarHBondContact O-N 2.77Å; L78-L80 VanDerWaalsContact C-N 3.34Å; L78-L80 PolarHBondContact O-N 3.44Å; L78-Y81 PolarHBondContact O-N 3.16Å; L78-N82 WeakPolarHBondContact O-CB 3.42Å; L78-N82 VanDerWaalsContact O-CG 3.23Å; L78-N82 PolarHBondContact O-N 3.25Å; L78-N82 PolarHBondContact O-ND2 3.13Å
79A93.6Very high90.5Very high36 Ų3695 Ų9530%0.29854%0.542SS..Hα-helixtrans-65.7-37.6178.200000112.1E75 V77 S83E75-A79 VanDerWaalsContact O-CB 3.3Å; E75-A79 WeakPolarHBondContact O-CB 3.46Å; E75-A79 PolarHBondContact O-N 3.25Å; V77-A79 PolarHBondContact O-N 3.3Å; A79-S83 WeakPolarHBondContact O-CB 3.21Å; A79-S83 PolarHBondContact O-N 3.3Å; A79-S83 PolarHBondContact O-OG 2.86Å
80L95.3Very high89.1Confident37 Ų3792 Ų9219%0.19453%0.53CS..Hα-helixtrans-64.2-47.5173.3-176.362.9000111.8A76 V77 L78 S83 T84 V108 R110A76-L80 WeakPolarHBondContact O-CB 3.21Å; A76-L80 PolarHBondContact O-N 3.13Å; A76-L80 VanDerWaalsContact O-N 3.1Å; V77-L80 PolarHBondContact O-N 3.04Å; L78-L80 VanDerWaalsContact C-N 3.34Å; L78-L80 PolarHBondContact O-N 3.44Å; L80-S83 PolarHBondContact O-N 2.91Å; L80-S83 PolarHBondContact O-OG 2.66Å; L80-T84 PolarHBondContact O-N 3.2Å; L80-T84 PolarHBondContact O-OG1 2.89Å; L80-V108 HydrophobicContact CD1-CG1 3.94Å; L80-V108 WeakPolarHBondContact CD2-O 3.48Å; L80-V108 HydrophobicContact CG-CG1 4.35Å; L80-R110 HydrophobicContact CD1-CB 3.78Å; L80-R110 HydrophobicContact CD1-CG 3.87Å
81Y95Very high87.5Confident146 Ų14695.3 Ų95.357%0.57353%0.534SS*.Hα-helixtrans-59-48.2176.9174.7-98.7000111.8V77 L78 S83 T84 R85V77-Y81 WeakPolarHBondContact O-CB 3.31Å; V77-Y81 PolarHBondContact O-N 2.9Å; L78-Y81 PolarHBondContact O-N 3.16Å; Y81-S83 PolarHBondContact O-N 3.43Å; Y81-T84 PolarHBondContact O-N 3.19Å; Y81-T84 VanDerWaalsContact O-N 3.14Å; Y81-R85 WeakPolarHBondContact O-CB 3.34Å; Y81-R85 PolarHBondContact O-N 3.42Å
82N93.4Very high85.7Confident67 Ų6797.9 Ų97.936%0.35854%0.543SS..Hα-helixtrans-60.4-45.8178.9-71.2-17.6000111.3L78 T84 R85 D86L78-N82 WeakPolarHBondContact O-CB 3.42Å; L78-N82 VanDerWaalsContact O-CG 3.23Å; L78-N82 PolarHBondContact O-N 3.25Å; L78-N82 PolarHBondContact O-ND2 3.13Å; N82-T84 VanDerWaalsContact C-N 3.26Å; N82-T84 PolarHBondContact O-N 2.75Å; N82-R85 PolarHBondContact O-N 2.84Å; N82-D86 WeakPolarHBondContact O-CB 3.45Å; N82-D86 PolarHBondContact O-N 2.67Å
83S91.3Very high83.9Confident52 Ų5295.7 Ų95.736%0.36454%0.535SS..Hα-helixtrans-60.6-35176.6720000113.2A79 L80 Y81 R87A79-S83 WeakPolarHBondContact O-CB 3.21Å; A79-S83 PolarHBondContact O-N 3.3Å; A79-S83 PolarHBondContact O-OG 2.86Å; L80-S83 PolarHBondContact O-N 2.91Å; L80-S83 PolarHBondContact O-OG 2.66Å; Y81-S83 PolarHBondContact O-N 3.43Å; S83-R87 WeakPolarHBondContact O-CD 3.37Å; S83-R87 WeakPolarHBondContact O-CG 3.49Å; S83-R87 PolarHBondContact O-N 3.31Å
84T91.2Very high82Confident47 Ų4798.7 Ų98.729%0.28855%0.547SS..Hα-helixtrans-73.3-46.6177.9-53.50000110.9L80 Y81 N82 D86 R87 V88L80-T84 PolarHBondContact O-N 3.2Å; L80-T84 PolarHBondContact O-OG1 2.89Å; Y81-T84 PolarHBondContact O-N 3.19Å; Y81-T84 VanDerWaalsContact O-N 3.14Å; N82-T84 VanDerWaalsContact C-N 3.26Å; N82-T84 PolarHBondContact O-N 2.75Å; T84-D86 VanDerWaalsContact C-N 3.32Å; T84-D86 PolarHBondContact O-N 3.04Å; T84-R87 PolarHBondContact O-N 3.47Å; T84-V88 WeakPolarHBondContact O-CG2 3.37Å; T84-V88 PolarHBondContact O-N 2.98Å
85R89.4Confident80.1Confident128 Ų128100.6 Ų100.648%0.48356%0.559SS.*Hα-helixtrans-59.5-45177.9-174.7-164.968.4169.7-1.4111.1Y81 N82 R87 V88 A89Y81-R85 WeakPolarHBondContact O-CB 3.34Å; Y81-R85 PolarHBondContact O-N 3.42Å; N82-R85 PolarHBondContact O-N 2.84Å; R85-R87 VanDerWaalsContact C-N 3.34Å; R85-R87 PolarHBondContact O-N 2.97Å; R85-V88 PolarHBondContact O-N 2.8Å; R85-A89 VanDerWaalsContact O-CB 3.26Å; R85-A89 WeakPolarHBondContact O-CB 3.36Å; R85-A89 PolarHBondContact O-N 3.3Å
86D87Confident78.3Confident84 Ų8499.6 Ų99.645%0.44956%0.555SS.*Hα-helixtrans-69.7-32.8-177-60.7-13.8000111.2N82 T84 G90N82-D86 WeakPolarHBondContact O-CB 3.45Å; N82-D86 PolarHBondContact O-N 2.67Å; T84-D86 VanDerWaalsContact C-N 3.32Å; T84-D86 PolarHBondContact O-N 3.04Å; D86-G90 PolarHBondContact O-N 2.85Å
87R81.3Confident76.5Confident205 Ų205102.4 Ų102.477%0.77457%0.567SS**Hα-helixtrans-65-37.2169.5-74.6171.268.8903.4113.2S83 T84 R85S83-R87 WeakPolarHBondContact O-CD 3.37Å; S83-R87 WeakPolarHBondContact O-CG 3.49Å; S83-R87 PolarHBondContact O-N 3.31Å; T84-R87 PolarHBondContact O-N 3.47Å; R85-R87 VanDerWaalsContact C-N 3.34Å; R85-R87 PolarHBondContact O-N 2.97Å
88V75.3Confident74.8Confident125 Ų125106.5 Ų106.576%0.75858%0.582SS**Hα-helixtrans-77.8-31.8178.8173.90000111.6T84 R85T84-V88 WeakPolarHBondContact O-CG2 3.37Å; T84-V88 PolarHBondContact O-N 2.98Å; R85-V88 PolarHBondContact O-N 2.8Å
89A75.5Confident73.5Confident81 Ų81108.3 Ų108.367%0.66960%0.598SS**Hα-helixtrans-86.8-18.6179.800000113.7R85R85-A89 VanDerWaalsContact O-CB 3.26Å; R85-A89 WeakPolarHBondContact O-CB 3.36Å; R85-A89 PolarHBondContact O-N 3.3Å
90G60.8Low72.5Confident42 Ų42115.6 Ų115.643%0.43363%0.626SS.*SBendtrans-85.1120.2179.900000113.1D86 S92D86-G90 PolarHBondContact O-N 2.85Å; G90-S92 PolarHBondContact O-N 2.92Å
91E56.4Low71.4Confident203 Ų203117.8 Ų117.895%0.94965%0.65SS**SBendtrans-68.930.6-176.4-155.3157126.600115.8
92S53.4Low70.9Confident112 Ų112115.7 Ų115.778%0.78365%0.648SS**  trans-157.246.7-177.6-142.90000114.8G90G90-S92 PolarHBondContact O-N 2.92Å
93A55.6Low70.8Confident83 Ų83118.5 Ų118.569%0.68666%0.655SS**  trans-80.5114.3135.600000103.9
94E54.2Low71Confident168 Ų168121 Ų12179%0.78566%0.657SS**  trans-42.8137.9152.3-79.9-138.8126.900106.6E96E94-E96 PolarHBondContact O-N 3.47Å
95P55.3Low71Confident123 Ų123121.6 Ų121.680%0.79967%0.666SS**  trans-62.586.8169.227.6-31000105.8
96E57.3Low71.2Confident148 Ų148122.5 Ų122.569%0.69267%0.674SS**  trans-40.2132.5149.6-93.7-80143.900104.5E94 E98E94-E96 PolarHBondContact O-N 3.47Å; E96-E98 PolarHBondContact O-N 3.25Å
97P55.4Low71.4Confident118 Ų118127 Ų12777%0.76669%0.692SS**  trans-63.878.9178.326-32.3000107.9
98E59.4Low72Confident157 Ų157121 Ų12173%0.73468%0.678SS**  trans-71.9126.7-179.3-80.3-141.7152.300105.6E96E96-E98 PolarHBondContact O-N 3.25Å
99P67.4Low72.9Confident113 Ų113120.2 Ų120.273%0.73467%0.674SS**  trans-54.4151164.926.5-33.3000108.6A101P99-A101 PolarHBondContact O-N 2.93Å
100E72.2Confident73.6Confident188 Ų188121.9 Ų121.988%0.87966%0.663SS**SBendtrans-40.8115.7178.2-64.7177.1178.800110.6D102E100-D102 PolarHBondContact O-N 3.46Å
101A71.9Confident75Confident84 Ų84126.5 Ų126.569%0.69468%0.682SS**  trans-57.3126.4-173.300000110.4P99 Y103P99-A101 PolarHBondContact O-N 2.93Å; A101-Y103 PolarHBondContact O-N 2.93Å
102D86.1Confident76.6Confident101 Ų101123.4 Ų123.454%0.5467%0.671SS.*  trans-53.5136179.7-65.7-57.2000110.7E100 Y104 K106E100-D102 PolarHBondContact O-N 3.46Å; D102-Y104 PolarHBondContact O-N 3.1Å; D102-Y104 VanDerWaalsContact O-N 3.17Å; D102-K106 WeakPolarHBondContact OD2-CE 3.5Å; D102-K106 IonicContact OD2-NZ 2.76Å; D102-K106 PolarHBondContact OD2-NZ 3.34Å
103Y91.4Very high78.4Confident126 Ų126127 Ų12749%0.49468%0.678SS.*SBendtrans-57-35-178.8175.6-101.7000112.9S55 K56 A101S55-Y103 PolarHBondContact OG-OH 2.85Å; S55-Y103 VanDerWaalsContact OG-OH 3.07Å; K56-Y103 WeakPolarHBondContact CG-O 2.97Å; K56-Y103 PolarHBondContact NZ-O 2.82Å; A101-Y103 PolarHBondContact O-N 2.93Å
104Y94.4Very high80.2Confident106 Ų106129.6 Ų129.642%0.41669%0.685SS.*SBendtrans-81.7152.4-176.6-64.1-72.2000113S55 R58 D102S55-Y104 WeakPolarHBondContact O-CD1 3.26Å; S55-Y104 WeakPolarHBondContact O-CE1 3.48Å; R58-Y104 HydrophobicContact CG-CD1 3.42Å; R58-Y104 VanDerWaalsContact CG-CD1 3.42Å; R58-Y104 HydrophobicContact CG-CE1 3.53Å; R58-Y104 HydrophobicContact CG-CG 4.33Å; R58-Y104 VanDerWaalsContact NE-CD1 3.27Å; D102-Y104 PolarHBondContact O-N 3.1Å; D102-Y104 VanDerWaalsContact O-N 3.17Å
105A92.3Very high81.7Confident58 Ų58130.2 Ų130.248%0.47969%0.688SS.*  trans-64.1145.9174.800000111.5K56 L57K56-A105 PolarHBondContact O-N 3.48Å; L57-A105 HydrophobicContact CD2-CB 3.78Å
106K92.5Very high82.8Confident148 Ų148129.9 Ų129.964%0.64368%0.684SS**  trans-108140172.8-63.5-170.7179-172.70109.7D102D102-K106 WeakPolarHBondContact OD2-CE 3.5Å; D102-K106 IonicContact OD2-NZ 2.76Å; D102-K106 PolarHBondContact OD2-NZ 3.34Å
107E92.4Very high83.2Confident178 Ų178130.8 Ų130.883%0.83269%0.688SS**  trans-72.2132.1170.5-173.1178.2176.100109.4T109E107-T109 HydrophobicContact CG-CG2 4.4Å
108V93.3Very high83.3Confident78 Ų78132.4 Ų132.447%0.47369%0.69SS.*  trans-102.2129.1178.4-174.40000108L80L80-V108 HydrophobicContact CD1-CG1 3.94Å; L80-V108 WeakPolarHBondContact CD2-O 3.48Å; L80-V108 HydrophobicContact CG-CG1 4.35Å
109T92.9Very high82.6Confident109 Ų109127.4 Ų127.467%0.66968%0.681SS**  trans-133.9155.7174.554.20000109.4E107E107-T109 HydrophobicContact CG-CG2 4.4Å
110R90.3Very high81.7Confident117 Ų117131.6 Ų131.644%0.44269%0.691SS.*  trans-127.3142.2176.467.9179.2-174.7169.25.4110.6L80L80-R110 HydrophobicContact CD1-CB 3.78Å; L80-R110 HydrophobicContact CD1-CG 3.87Å
111V92.1Very high80.4Confident139 Ų139130.5 Ų130.584%0.84269%0.69SS**  trans-119.4129.2173.9-176.40000107.8
112L89.1Confident79.1Confident137 Ų137130.5 Ų130.572%0.71770%0.698SS**PPolyproline II helixtrans-85.5147.3177.9-59178.5000109.9
113M91.9Very high76.7Confident189 Ų189129.2 Ų129.293%0.93171%0.709SS**PPolyproline II helixtrans-71154.1174-66.1-178.8173.300110.8
114V91.8Very high74.7Confident136 Ų136128.6 Ų128.682%0.82473%0.729SS**PPolyproline II helixtrans-68.1135.1175.3-179.40000109.5T116V114-T116 PolarHBondContact O-N 2.87Å
115E85.8Confident72.2Confident181 Ų181127.2 Ų127.285%0.84675%0.748SS**PPolyproline II helixtrans-65126.1178.9-164.7161.3-158.500110.5H117E115-H117 PolarHBondContact O-N 3.4Å
116T79.7Confident69.9Low117 Ų117133.5 Ų133.572%0.71877%0.767SS**  trans-79.5102.8176.1-50.90000107.5V114 N118V114-T116 PolarHBondContact O-N 2.87Å; T116-N118 VanDerWaalsContact C-N 3.34Å; T116-N118 PolarHBondContact O-N 3.24Å
117H64.8Low68.1Low166 Ų166132.4 Ų132.477%0.76978%0.775SS**  trans-67.697.2166.566-78.5000107.4E115 G119E115-H117 PolarHBondContact O-N 3.4Å; H117-G119 PolarHBondContact O-N 2.88Å
118N57.6Low65.6Low152 Ų152127.6 Ų127.681%0.81377%0.774SS**  trans-67.5106.6161.6-97.612.6000106.2T116 E120T116-N118 VanDerWaalsContact C-N 3.34Å; T116-N118 PolarHBondContact O-N 3.24Å; N118-E120 PolarHBondContact O-N 3.47Å
119G45.9Very low63Low53 Ų53127.6 Ų127.655%0.54679%0.789SS.*  trans-48.9131.7-177.600000111.8H117 L121H117-G119 PolarHBondContact O-N 2.88Å; G119-L121 VanDerWaalsContact C-N 3.3Å; G119-L121 PolarHBondContact O-N 3.37Å
120E48.4Very low60.5Low201 Ų201126.1 Ų126.194%0.93980%0.796SS**  trans-49.294.2157.1-168.5155.487.600109.3N118N118-E120 PolarHBondContact O-N 3.47Å
121L43.3Very low58.7Low165 Ų165126.4 Ų126.486%0.86481%0.813SS**  trans-120.899.4163.3-93.8154.3000106G119 G123G119-L121 VanDerWaalsContact C-N 3.3Å; G119-L121 PolarHBondContact O-N 3.37Å; L121-G123 PolarHBondContact O-N 3.26Å
122G45.3Very low56.7Low84 Ų84125.9 Ų125.987%0.86681%0.812SS**  trans-54.6135.3173.500000111.8
123G36.8Very low54.6Low74 Ų74123.3 Ų123.376%0.76382%0.819SS**  trans-164.3107.8167.800000108.1L121L121-G123 PolarHBondContact O-N 3.26Å
124A49.3Very low52.3Low112 Ų112118.1 Ų118.193%0.92681%0.814SS**  trans-65.4150.2-177.800000113.5
125G41.8Very low50.2Low78 Ų78116.3 Ų116.380%0.80481%0.813SS**  trans108.2122.2169.400000111.8
126E42.3Very low48.2Very low189 Ų189111.3 Ų111.388%0.88381%0.81SS**  cis-159.7162.522.2-114.7-1669400108.4
127P54.5Low47Very low126 Ų126112.3 Ų112.382%0.81882%0.816SS**  trans-88.7110.7174.933.5-27000111.2
128G40.9Very low46.6Very low77 Ų77110 Ų11079%0.79482%0.816SS**  trans-137.792.9-177.800000114.6
129G38.4Very low46.7Very low78 Ų78105.8 Ų105.880%0.80481%0.807SS**  trans70.793.6142.700000119.1
130G41.3Very low47.4Very low78 Ų78109.2 Ų109.280%0.80482%0.82SS**PPolyproline II helixtrans-77.4144.4154.500000111.3
131P52.1Low48Very low123 Ų123111.4 Ų111.480%0.79982%0.82SS**PPolyproline II helixtrans-87.6154.7163.929.5-21.7000111.7
132P49.3Very low48.8Very low127 Ų127110.4 Ų110.483%0.82582%0.82SS**PPolyproline II helixtrans-78158.3-163.831.5-36.1000114
133G44.7Very low49.2Very low83 Ų83113.3 Ų113.386%0.85685%0.85SS**PPolyproline II helixtrans-56.1142.3179.800000114.9
134G43.5Very low49.8Very low81 Ų81115.3 Ų115.384%0.83586%0.855SS**PPolyproline II helixtrans-99.6129.1165.700000110.3
135A48.9Very low49.8Very low98 Ų98115.5 Ų115.581%0.8185%0.851SS**PPolyproline II helixtrans-49.9138.6-171.200000116
136G43.1Very low50.3Low75 Ų75117.6 Ų117.677%0.77385%0.854SS**PPolyproline II helixtrans-64.1134.3164.900000111.6
137V54.5Low50.7Low139 Ų139113.4 Ų113.484%0.84285%0.852SS**PPolyproline II helixtrans-76127.1171.6-179.10000108.4G139V137-G139 PolarHBondContact O-N 3.37Å
138P57Low50.5Low118 Ų118112.6 Ų112.677%0.76685%0.854SS**PPolyproline II helixtrans-71.9126.5176.327.8-31.7000110.6
139G59.8Low51.1Low62 Ų62114.9 Ų114.964%0.63986%0.858SS**PPolyproline II helixtrans-67159.4172.200000112.9V137 R141V137-G139 PolarHBondContact O-N 3.37Å; G139-R141 PolarHBondContact O-N 3.06Å
140P59.8Low52.1Low125 Ų125117.6 Ų117.681%0.81286%0.862SS**PPolyproline II helixtrans-71.9127.4-177.229.1-31.9000110.6V142P140-V142 PolarHBondContact O-N 3.37Å
141R60.5Low52.9Low248 Ų248120.6 Ų120.694%0.93687%0.866SS**PPolyproline II helixtrans-75117.3166.4-73.3-169.9-177.8-147.21.7108.5G139G139-R141 PolarHBondContact O-N 3.06Å
142V60Low52.9Low143 Ų143120.4 Ų120.487%0.86787%0.872SS**PPolyproline II helixtrans-78.2122.8165.2-175.60000107.3P140P140-V142 PolarHBondContact O-N 3.37Å
143G54.3Low53.3Low146 Ų146119.8 Ų119.8100%1.50588%0.876SS**  trans-113.70161.600000109

Retrieved 143 of 143 residues in 133.4 ms (Link to these results)