A0A087WXJ2_HUMAN Loading...

Latent transforming growth factor beta binding protein 4

AlphaFold DB , UniProt , Accession A0A087WXJ2, Species HUMAN (Homo sapiens, Human), Gene LTBP4, Length 145 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
1P38.1Very low45.1Very low177 Ų177163.9 Ų163.9100%1.14988%0.876SS**  0128.7017-32.9000108.8
2P43.8Very low45.4Very low135 Ų135158.7 Ų158.788%0.87786%0.862SS**  trans-80.9155.617833.8-31.3000111.3
3G47.5Very low46.1Very low75 Ų75164.9 Ų164.977%0.77387%0.865SS**  trans-100.4-172.8-171.700000115.5
4P47.6Very low46.6Very low132 Ų132164.8 Ų164.886%0.85787%0.865SS**  trans-132.9150.1157.936.4-21.5000114
5G42.1Very low47.3Very low65 Ų65162.5 Ų162.567%0.6786%0.861SS**  89.8103.7127.800000120.4
6T49.3Very low48Very low147 Ų147167.5 Ų167.590%0.90287%0.865SS**  trans57.3128.1132.744.20000121.4
7R46.8Very low48.1Very low238 Ų238171.5 Ų171.590%0.89887%0.866SS**  171.9118.797.2-165.8166-172.5-130.42.9111
8W38.6Very low48.4Very low245 Ų245169.1 Ų169.193%0.92887%0.867SS**PPolyproline II helixtrans-74.3129.9171.6-69.392.6000110.4Y10W8-Y10 PolarHBondContact O-N 2.98Å
9P48Very low48.1Very low118 Ų118170.2 Ų170.277%0.76687%0.866SS**PPolyproline II helixtrans-81.5117.7170.730.2-28.1000109.9R11P9-R11 PolarHBondContact O-N 3.18Å
10Y40.5Very low48.2Very low228 Ų228167.5 Ų167.589%0.89486%0.86SS**PPolyproline II helixtrans-66.8120.6168.6-152.2-96.9000108.5W8W8-Y10 PolarHBondContact O-N 2.98Å
11R53.4Low48.7Very low243 Ų243168.1 Ų168.192%0.91786%0.859SS**PPolyproline II helixtrans-97.2123.8173-107.8-174.2177.8-172.4-0.1110.2P9P9-R11 PolarHBondContact O-N 3.18Å
12S49.3Very low49.4Very low101 Ų101165.5 Ų165.571%0.70684%0.842SS**PPolyproline II helixtrans-64.4148.9-177.9-59.40000113.7D14S12-D14 PolarHBondContact O-N 2.91Å
13R54.7Low50Low240 Ų240168.2 Ų168.291%0.90684%0.843SS**  trans-70.4111.1172.1-86.3175.3162.2163.9-6.1110.6
14D52.6Low50.4Low163 Ų163173.3 Ų173.387%0.87285%0.847SS**  trans-94.1124163-88.5-60.1000110.2S12S12-D14 PolarHBondContact O-N 2.91Å
15T57.4Low50.8Low131 Ų131172.3 Ų172.380%0.80484%0.84SS**  trans-101.634-169.344.90000114.2
16R58.8Low51.5Low242 Ų242175.4 Ų175.491%0.91385%0.848SS**  trans-147.982.2176.2-81.9-178-173.6-1781.9112.5
17R48.7Very low51.8Low236 Ų236178 Ų17889%0.89185%0.85SS**  trans-151.4111.2153-139.5173.8-172.4-162.70.2108.7F19R17-F19 PolarHBondContact O-N 2.79Å; R17-F19 VanDerWaalsContact O-N 3.12Å
18S54Low52Low127 Ų127170.7 Ų170.789%0.88885%0.849SS**  trans-54.9113.3176.7-49.40000109.3
19F42Very low52.1Low191 Ų191162 Ų16284%0.83884%0.836SS**PPolyproline II helixtrans-84.2133.8167.1-115.6-100.9000107.1R17 E21R17-F19 PolarHBondContact O-N 2.79Å; R17-F19 VanDerWaalsContact O-N 3.12Å; F19-E21 PolarHBondContact O-N 3.17Å
20P51.7Low52.5Low116 Ų116162.9 Ų162.975%0.75385%0.845SS**PPolyproline II helixtrans-61.7133.3175.324.7-30.7000109.6
21E58.6Low53Low181 Ų181162 Ų16285%0.84684%0.841SS**PPolyproline II helixtrans-57136.5175.6-81.2154.883.900110.4F19 E23F19-E21 PolarHBondContact O-N 3.17Å; E21-E23 PolarHBondContact O-N 3.29Å
22P52.5Low53Low121 Ų121154.1 Ų154.179%0.78683%0.829SS**PPolyproline II helixtrans-70.5126.1170.528.1-29.7000109E24P22-E24 PolarHBondContact O-N 3.46Å
23E56.2Low53.3Low192 Ų192153.1 Ų153.190%0.89784%0.835SS**PPolyproline II helixtrans-59130.1178.9-57.2-165.7102.500110.8E21E21-E23 PolarHBondContact O-N 3.29Å
24E54.9Low53.2Low183 Ų183146.7 Ų146.786%0.85583%0.827SS**PPolyproline II helixtrans-65.7132.2176.9-61.1-163.3103.800110.4P22P22-E24 PolarHBondContact O-N 3.46Å
25P57Low53.3Low110 Ų110145.8 Ų145.871%0.71482%0.821SS**PPolyproline II helixtrans-70.8143.1172.329.9-31.8000109.6E27P25-E27 PolarHBondContact O-N 2.95Å
26P57Low53.1Low130 Ų130143.9 Ų143.984%0.84482%0.818SS**PPolyproline II helixtrans-65.8130.9-177.626.4-32.9000111.1
27E55.9Low53.5Low201 Ų201138.7 Ų138.794%0.93980%0.804SS**SBendtrans-64.8135171.3-64.6-166.298.900111.2P25P25-E27 PolarHBondContact O-N 2.95Å
28G50.8Low54.2Low85 Ų85130.9 Ų130.988%0.87678%0.784SS**  trans113.174.9157.900000115.6
29G40Very low54.3Low64 Ų64131.8 Ų131.866%0.6677%0.769SS**  trans-159.484.7168.200000111.6Y31G29-Y31 PolarHBondContact O-N 2.96Å; G29-Y31 VanDerWaalsContact O-N 3.11Å
30S55.5Low55.5Low136 Ų136129.4 Ų129.495%0.95176%0.761SS**  trans-58.9106.2172.2-179.20000110.7
31Y51.8Low55.7Low208 Ų208129.9 Ų129.982%0.81675%0.753SS**  trans-141.3139.4156.273.5-88.7000110.1G29G29-Y31 PolarHBondContact O-N 2.96Å; G29-Y31 VanDerWaalsContact O-N 3.11Å
32A54.4Low55.9Low78 Ų78122.9 Ų122.965%0.64572%0.721SS**  trans-54.5145.1-162.400000114.3S34A32-S34 PolarHBondContact O-N 2.78Å; A32-S34 PolarHBondContact O-OG 2.04Å
33G54.8Low56.1Low81 Ų81124 Ų12484%0.83572%0.716SS**  trans-46.4124.2169.600000111.4
34S52.2Low55.9Low105 Ų105118.8 Ų118.873%0.73471%0.706SS**  trans-145126.1167.7-42.30000107.2A32A32-S34 PolarHBondContact O-N 2.78Å; A32-S34 PolarHBondContact O-OG 2.04Å
35L54.9Low56Low144 Ų144117.6 Ų117.675%0.75470%0.7SS**  cis-167.5135.7-19.2-112.4156.2000101.3E37L35-E37 PolarHBondContact O-N 3.39Å
36A53.4Low55.9Low91 Ų91117.2 Ų117.275%0.75269%0.689SS**  trans-67.8103.5167.900000107.3
37E67.3Low56.3Low132 Ų132111.5 Ų111.562%0.61765%0.652SS**  trans-82.2106.1158.7-78.3-64.7111.200106.2L35L35-E37 PolarHBondContact O-N 3.39Å
38P63.4Low56.5Low73 Ų73105.4 Ų105.447%0.47464%0.643SS.*SBend-136.7155.68623.5-2.5000112.8
39Y56.6Low56.9Low146 Ų146104.4 Ų104.457%0.57362%0.617SS**  trans79.985.9172.5-24.1-69000114E41Y39-E41 PolarHBondContact O-N 3.41Å; Y39-E41 VanDerWaalsContact O-N 3.15Å
40E65.7Low57.7Low140 Ų140109.4 Ų109.465%0.65463%0.628SS**  trans-51.4120.5161.3-66.5-163.5112.900109.5L42E40-L42 PolarHBondContact O-N 3.43Å
41E57.1Low58Low127 Ų127109.7 Ų109.759%0.59362%0.618SS**BIsolated β-bridgetrans-73.1107.6174.8-122152.695.800108Y39 R57Y39-E41 PolarHBondContact O-N 3.41Å; Y39-E41 VanDerWaalsContact O-N 3.15Å; E41-R57 IonicContact OE1-CZ 3.51Å; E41-R57 IonicContact OE1-NE 3.87Å; E41-R57 IonicContact OE1-NH1 2.97Å; E41-R57 PolarHBondContact OE1-NH1 3.23Å; E41-R57 IonicContact OE2-CZ 3.69Å; E41-R57 IonicContact OE2-NH1 2.64Å; E41-R57 PolarHBondContact OE2-NH1 3.18Å
42L61.8Low58.8Low34 Ų34100.7 Ų100.718%0.17859%0.589CS.*  trans-90.5143.7-177.8-63171.8000110.7E40 E46 R60 F65E40-L42 PolarHBondContact O-N 3.43Å; L42-E46 HydrophobicContact CB-CB 4.39Å; L42-E46 HydrophobicContact CD1-CG 4.39Å; L42-R60 HydrophobicContact CD1-CB 3.68Å; L42-F65 HydrophobicContact CD1-CE1 4.34Å
43E56.8Low59.7Low145 Ų14598.2 Ų98.268%0.67857%0.567SS**  trans-66.1150.3173.1-67.5-179.1115.500110.8E45 E46E43-E45 HydrophobicContact CB-CG 4.11Å; E43-E45 PolarHBondContact O-N 3.3Å; E43-E46 PolarHBondContact O-N 3.19Å
44A53.5Low60.8Low82 Ų8297.9 Ų97.968%0.67855%0.549SS*.THydrogen-bonded Turntrans-55.2-25.3-171.300000114.1C47A44-C47 WeakPolarHBondContact O-CB 3.46Å
45E55.3Low62.2Low158 Ų15896.6 Ų96.674%0.73853%0.533SS*.THydrogen-bonded Turntrans-70.1-29.317855.2-164.6121.300114.4E43 C47E43-E45 HydrophobicContact CB-CG 4.11Å; E43-E45 PolarHBondContact O-N 3.3Å; E45-C47 VanDerWaalsContact C-N 3.29Å; E45-C47 PolarHBondContact O-N 3.1Å
46E56.7Low63.4Low101 Ų10190.3 Ų90.347%0.47250%0.504SS..THydrogen-bonded Turntrans-81.5-13.5179.8-167153.4171.200113L42 E43 G48 R60L42-E46 HydrophobicContact CB-CB 4.39Å; L42-E46 HydrophobicContact CD1-CG 4.39Å; E43-E46 PolarHBondContact O-N 3.19Å; E46-G48 VanDerWaalsContact C-N 3.33Å; E46-R60 IonicContact OE1-CZ 3.99Å; E46-R60 IonicContact OE1-NH2 2.77Å; E46-R60 PolarHBondContact OE1-NH2 3Å
47C64.5Low64.6Low11 Ų1190 Ų907%0.07448%0.483CS..THydrogen-bonded Turntrans-77.9-18.3176.5-158.10000112.5A44 E45 I49 C58A44-C47 WeakPolarHBondContact O-CB 3.46Å; E45-C47 VanDerWaalsContact C-N 3.29Å; E45-C47 PolarHBondContact O-N 3.1Å; C47-I49 HydrophobicContact CB-CB 4.33Å; C47-I49 WeakPolarHBondContact O-CG1 3.48Å; C47-I49 PolarHBondContact O-N 2.83Å; C47-I49 WeakPolarHBondContact SG-CD1 3.43Å; C47-C58 HydrophobicContact CB-CB 3.61Å; C47-C58 WeakPolarHBondContact CB-SG 3.4Å; C47-C58 WeakPolarHBondContact SG-CB 3.06Å; C47-C58 CovalentContact SG-SG 2.03Å; C47-C58 PolarHBondContact SG-SG 3.11Å
48G60.8Low65.2Low73 Ų7384.1 Ų84.175%0.75346%0.456SS*.THydrogen-bonded Turntrans62.311.7-175.100000114.2E46E46-G48 VanDerWaalsContact C-N 3.33Å
49I59.3Low65.8Low63 Ų6381.3 Ų81.332%0.32344%0.438SS..  trans-102.795.3-176.5-70.4-179.4000106.9C47 D51C47-I49 HydrophobicContact CB-CB 4.33Å; C47-I49 WeakPolarHBondContact O-CG1 3.48Å; C47-I49 PolarHBondContact O-N 2.83Å; C47-I49 WeakPolarHBondContact SG-CD1 3.43Å; I49-D51 PolarHBondContact O-N 3.35Å; I49-D51 VanDerWaalsContact O-N 3.11Å
50L56.9Low66.6Low170 Ų17080.4 Ų80.489%0.8943%0.433SS*.SBendtrans-61.7-18.9-174.9-171.560.9000113.5
51D61.8Low67.1Low141 Ų14176.2 Ų76.275%0.75442%0.417SS*.SBendtrans-159.39.5-175.2-113.6-17.7000116.3I49I49-D51 PolarHBondContact O-N 3.35Å; I49-D51 VanDerWaalsContact O-N 3.11Å
52G66.8Low67.9Low19 Ų1977 Ų7720%0.19643%0.434CS..  trans-85.3-42.4-167.900000115.9T54 M80G52-T54 PolarHBondContact O-N 3.4Å; G52-M80 CarbonylContact C-O 3.49Å; G52-M80 WeakPolarHBondContact CA-O 3.48Å
53C73.6Confident68.6Low27 Ų2784.7 Ų84.718%0.18247%0.468CS..  trans-85.847.5-176.2-58.50000113.5N55 G56 C67C53-N55 PolarHBondContact O-N 3.44Å; C53-G56 PolarHBondContact O-N 2.77Å; C53-C67 VanDerWaalsContact CA-SG 3.52Å; C53-C67 HydrophobicContact CB-CB 3.88Å; C53-C67 WeakPolarHBondContact CB-SG 3.25Å; C53-C67 WeakPolarHBondContact SG-CB 3.34Å; C53-C67 CovalentContact SG-SG 2.04Å; C53-C67 PolarHBondContact SG-SG 2.84Å
54T78.6Confident69.5Low74 Ų7479.1 Ų79.145%0.45445%0.45SS..THydrogen-bonded Turntrans-63.6131.3171.553.40000109.9G52 G56 C82G52-T54 PolarHBondContact O-N 3.4Å; T54-G56 VanDerWaalsContact C-N 3.33Å; T54-G56 PolarHBondContact O-N 2.81Å; T54-C82 VanDerWaalsContact O-CB 3.29Å; T54-C82 WeakPolarHBondContact O-CB 3.42Å
55N81.4Confident70.6Confident77 Ų7779.2 Ų79.241%0.41244%0.435SS..THydrogen-bonded Turntrans62.428.7-173-47.2-64.8000115.7C53 F70 Y73 C82C53-N55 PolarHBondContact O-N 3.44Å; N55-F70 VanDerWaalsContact O-CD2 3.25Å; N55-F70 WeakPolarHBondContact O-CD2 3.08Å; N55-F70 PolarHBondContact O-N 2.03Å; N55-F70 VanDerWaalsContact O-N 3.14Å; N55-Y73 HydrophobicContact CB-CD1 3.35Å; N55-Y73 HydrophobicContact CB-CD2 4.34Å; N55-Y73 HydrophobicContact CB-CE1 3.43Å; N55-Y73 VanDerWaalsContact CB-CE1 3.43Å; N55-Y73 HydrophobicContact CB-CE2 4.42Å; N55-Y73 HydrophobicContact CB-CG 3.86Å; N55-C82 HydrophobicContact CB-CB 4.31Å
56G79.3Confident71.6Confident13 Ų1373.8 Ų73.813%0.13441%0.413CS..EExtended strand (participates in β ladder)trans-153.3178.2171.300000112.7C53 T54 R68C53-G56 PolarHBondContact O-N 2.77Å; T54-G56 VanDerWaalsContact C-N 3.33Å; T54-G56 PolarHBondContact O-N 2.81Å; G56-R68 CarbonylContact C-O 3.23Å; G56-R68 VanDerWaalsContact CA-O 3.28Å; G56-R68 WeakPolarHBondContact CA-O 3.48Å
57R79.3Confident72.7Confident85 Ų8569.1 Ų69.132%0.32139%0.391SS..EExtended strand (participates in β ladder)trans-111.1140.7170.870.1-175.382.4171.3-6.4109.8E41 V59 C67 R68E41-R57 IonicContact OE1-CZ 3.51Å; E41-R57 IonicContact OE1-NE 3.87Å; E41-R57 IonicContact OE1-NH1 2.97Å; E41-R57 PolarHBondContact OE1-NH1 3.23Å; E41-R57 IonicContact OE2-CZ 3.69Å; E41-R57 IonicContact OE2-NH1 2.64Å; E41-R57 PolarHBondContact OE2-NH1 3.18Å; R57-V59 HydrophobicContact CG-CG1 4.27Å; R57-C67 CarbonylContact O-C 3.31Å; R57-R68 HydrophobicContact CG-CB 3.88Å; R57-R68 HydrophobicContact CG-CG 4.36Å; R57-R68 PolarHBondContact N-O 3.5Å; R57-R68 PolarHBondContact O-N 3.14Å
58C79.3Confident73.6Confident7 Ų775.2 Ų75.25%0.04741%0.413CS..EExtended strand (participates in β ladder)trans-79.7137.3174.7-176.10000110.1C47C47-C58 HydrophobicContact CB-CB 3.61Å; C47-C58 WeakPolarHBondContact CB-SG 3.4Å; C47-C58 WeakPolarHBondContact SG-CB 3.06Å; C47-C58 CovalentContact SG-SG 2.03Å; C47-C58 PolarHBondContact SG-SG 3.11Å
59V77.6Confident74.7Confident14 Ų1473 Ų739%0.08539%0.386CS..EExtended strand (participates in β ladder)trans-130.5139.7174.7-58.50000109.9R57 T66 R68R57-V59 HydrophobicContact CG-CG1 4.27Å; V59-T66 HydrophobicContact CG2-CG2 3.47Å; V59-T66 VanDerWaalsContact CG2-CG2 3.47Å; V59-T66 PolarHBondContact N-O 3.46Å; V59-T66 PolarHBondContact O-N 2.76Å; V59-R68 HydrophobicContact CG1-CB 4.1Å; V59-R68 HydrophobicContact CG2-CB 4.3Å
60R72Confident75.8Confident127 Ų12774.4 Ų74.448%0.47939%0.39SS..EExtended strand (participates in β ladder)trans-76.7135.9177.8-173.7-176.6-69.4-99.56.9110.1L42 E46 F65L42-R60 HydrophobicContact CD1-CB 3.68Å; E46-R60 IonicContact OE1-CZ 3.99Å; E46-R60 IonicContact OE1-NH2 2.77Å; E46-R60 PolarHBondContact OE1-NH2 3Å; R60-F65 HydrophobicContact CB-CD1 4.2Å; R60-F65 HydrophobicContact CB-CE1 4.27Å; R60-F65 HydrophobicContact CG-CD1 4.35Å; R60-F65 HydrophobicContact CG-CE1 4.13Å
61V76.8Confident76.9Confident53 Ų5374.3 Ų74.332%0.32139%0.39SS..EExtended strand (participates in β ladder)trans-126.8160.2174.3-71.50000109.8E63 G64 T66V61-E63 PolarHBondContact O-N 3.05Å; V61-G64 PolarHBondContact N-O 2.59Å; V61-G64 CarbonylContact O-C 3.21Å; V61-G64 PolarHBondContact O-N 2.93Å; V61-T66 HydrophobicContact CG1-CG2 3.63Å; V61-T66 HydrophobicContact CG2-CG2 4.29Å
62P74.8Confident77.7Confident144 Ų14468.9 Ų68.994%0.93537%0.367SS*.THydrogen-bonded Turntrans-57-25-178.7-25.734.7000114
63E76.2Confident78.3Confident194 Ų19472.1 Ų72.191%0.90737%0.374SS*.THydrogen-bonded Turntrans-92.77.5177.7-59.5-170.8-179.900113.7V61V61-E63 PolarHBondContact O-N 3.05Å
64G75.1Confident78.7Confident28 Ų2877.6 Ų77.629%0.28939%0.391SS..EExtended strand (participates in β ladder)trans131.6-113.4179.500000112.8V61V61-G64 PolarHBondContact N-O 2.59Å; V61-G64 CarbonylContact O-C 3.21Å; V61-G64 PolarHBondContact O-N 2.93Å
65F76.2Confident78.7Confident85 Ų8576.9 Ų76.937%0.37338%0.384SS..EExtended strand (participates in β ladder)trans-137.6149.1-177.4-57-87.9000110.3L42 R60L42-F65 HydrophobicContact CD1-CE1 4.34Å; R60-F65 HydrophobicContact CB-CD1 4.2Å; R60-F65 HydrophobicContact CB-CE1 4.27Å; R60-F65 HydrophobicContact CG-CD1 4.35Å; R60-F65 HydrophobicContact CG-CE1 4.13Å
66T76.3Confident78.4Confident43 Ų4376.2 Ų76.226%0.26438%0.38SS..EExtended strand (participates in β ladder)trans-141.1150.6175.5-167.30000110.8V59 V61V59-T66 HydrophobicContact CG2-CG2 3.47Å; V59-T66 VanDerWaalsContact CG2-CG2 3.47Å; V59-T66 PolarHBondContact N-O 3.46Å; V59-T66 PolarHBondContact O-N 2.76Å; V61-T66 HydrophobicContact CG1-CG2 3.63Å; V61-T66 HydrophobicContact CG2-CG2 4.29Å
67C80.1Confident78Confident4 Ų484.4 Ų84.43%0.02742%0.417CS..EExtended strand (participates in β ladder)trans-87.8123.1173.9-50.80000110C53 R57 L75C53-C67 VanDerWaalsContact CA-SG 3.52Å; C53-C67 HydrophobicContact CB-CB 3.88Å; C53-C67 WeakPolarHBondContact CB-SG 3.25Å; C53-C67 WeakPolarHBondContact SG-CB 3.34Å; C53-C67 CovalentContact SG-SG 2.04Å; C53-C67 PolarHBondContact SG-SG 2.84Å; R57-C67 CarbonylContact O-C 3.31Å; C67-L75 HydrophobicContact CB-CD2 3.91Å; C67-L75 WeakPolarHBondContact O-CD2 3.07Å
68R83.6Confident77.7Confident138 Ų13884.3 Ų84.352%0.52143%0.426SS..EExtended strand (participates in β ladder)trans-88.4108.6165.1-180-179.5178.5116.12.3108.8G56 R57 V59G56-R68 CarbonylContact C-O 3.23Å; G56-R68 VanDerWaalsContact CA-O 3.28Å; G56-R68 WeakPolarHBondContact CA-O 3.48Å; R57-R68 HydrophobicContact CG-CB 3.88Å; R57-R68 HydrophobicContact CG-CG 4.36Å; R57-R68 PolarHBondContact N-O 3.5Å; R57-R68 PolarHBondContact O-N 3.14Å; V59-R68 HydrophobicContact CG1-CB 4.1Å; V59-R68 HydrophobicContact CG2-CB 4.3Å
69C84.4Confident77.2Confident27 Ų2792.9 Ų92.918%0.18246%0.457CS..EExtended strand (participates in β ladder)trans-69.8150.6-179.2-54.10000112.6Y73 L75 C82C69-Y73 VanDerWaalsContact CB-O 3.27Å; C69-Y73 WeakPolarHBondContact CB-O 3.23Å; C69-L75 PolarHBondContact SG-N 2.71Å; C69-L75 VanDerWaalsContact SG-N 3.38Å; C69-C82 WeakPolarHBondContact CA-SG 3.4Å; C69-C82 HydrophobicContact CB-CB 3.65Å; C69-C82 WeakPolarHBondContact CB-SG 3.28Å; C69-C82 VanDerWaalsContact SG-CA 3.6Å; C69-C82 WeakPolarHBondContact SG-CB 3.22Å; C69-C82 CovalentContact SG-SG 2.04Å; C69-C82 PolarHBondContact SG-SG 3.23Å
70F81.3Confident76.9Confident93 Ų9398.3 Ų98.341%0.40848%0.484SS..PPolyproline II helixtrans-72165.1170.5-62.7-56.8000111.5N55 G72 Y73N55-F70 VanDerWaalsContact O-CD2 3.25Å; N55-F70 WeakPolarHBondContact O-CD2 3.08Å; N55-F70 PolarHBondContact O-N 2.03Å; N55-F70 VanDerWaalsContact O-N 3.14Å; F70-G72 PolarHBondContact O-N 3.31Å; F70-Y73 HydrophobicContact CB-CD2 4.47Å; F70-Y73 WeakPolarHBondContact O-CB 3.34Å; F70-Y73 PolarHBondContact O-N 3.12Å
71D80.4Confident77Confident168 Ų16893.7 Ų93.790%0.89847%0.473SS*.THydrogen-bonded Turntrans-56.2133.4179-64.8-51.8000111.4Y73D71-Y73 VanDerWaalsContact C-N 3.35Å; D71-Y73 WeakPolarHBondContact O-CD2 3.04Å
72G78.3Confident77.2Confident26 Ų2691.3 Ų91.327%0.26846%0.458SS..THydrogen-bonded Turntrans81.89.7-173.400000114.7F70 A84 F85 S86F70-G72 PolarHBondContact O-N 3.31Å; G72-A84 CarbonylContact O-C 3.46Å; G72-A84 WeakPolarHBondContact O-CA 3.4Å; G72-F85 CarbonylContact C-O 3.59Å; G72-F85 VanDerWaalsContact C-O 3.29Å; G72-F85 WeakPolarHBondContact CA-O 3.36Å; G72-F85 CarbonylContact O-C 3.52Å; G72-F85 PolarHBondContact O-N 2.87Å; G72-S86 PolarHBondContact O-N 3.1Å
73Y80Confident77.6Confident87 Ų8787.5 Ų87.534%0.34143%0.432SS..EExtended strand (participates in β ladder)trans-128.8145.6174.4-63.9-103000110.9N55 C69 F70 D71 V83 A84N55-Y73 HydrophobicContact CB-CD1 3.35Å; N55-Y73 HydrophobicContact CB-CD2 4.34Å; N55-Y73 HydrophobicContact CB-CE1 3.43Å; N55-Y73 VanDerWaalsContact CB-CE1 3.43Å; N55-Y73 HydrophobicContact CB-CE2 4.42Å; N55-Y73 HydrophobicContact CB-CG 3.86Å; C69-Y73 VanDerWaalsContact CB-O 3.27Å; C69-Y73 WeakPolarHBondContact CB-O 3.23Å; F70-Y73 HydrophobicContact CB-CD2 4.47Å; F70-Y73 WeakPolarHBondContact O-CB 3.34Å; F70-Y73 PolarHBondContact O-N 3.12Å; D71-Y73 VanDerWaalsContact C-N 3.35Å; D71-Y73 WeakPolarHBondContact O-CD2 3.04Å; Y73-V83 CarbonylContact C-O 3.58Å; Y73-V83 VanDerWaalsContact CA-O 3.22Å; Y73-V83 WeakPolarHBondContact CA-O 3.24Å; Y73-A84 VanDerWaalsContact CD1-CA 3.4Å; Y73-A84 HydrophobicContact CD1-CB 3.88Å; Y73-A84 VanDerWaalsContact CD1-N 3.31Å; Y73-A84 HydrophobicContact CE1-CB 3.58Å
74R82.5Confident77.7Confident143 Ų14380.7 Ų80.754%0.5441%0.409SS..EExtended strand (participates in β ladder)trans-130.7155.2175.678.9-179.4179.2-179.41.5110.9D76 C82 V83 F85R74-D76 PolarHBondContact O-N 2.65Å; R74-C82 CarbonylContact O-C 3.27Å; R74-C82 WeakPolarHBondContact O-CA 3.48Å; R74-V83 HydrophobicContact CG-CG2 4.12Å; R74-V83 PolarHBondContact N-O 3Å; R74-V83 WeakPolarHBondContact O-CG2 3.34Å; R74-V83 PolarHBondContact O-N 3.05Å; R74-F85 HydrophobicContact CB-CB 3.98Å; R74-F85 HydrophobicContact CG-CB 3.73Å; R74-F85 HydrophobicContact CG-CD2 4.44Å; R74-F85 HydrophobicContact CG-CG 4.33Å; R74-F85 VanDerWaalsContact NH1-CD2 3.32Å
75L77.8Confident77.5Confident59 Ų5984.2 Ų84.231%0.30942%0.417SS..EExtended strand (participates in β ladder)trans-61.7132.8171.5-75.5171.7000110.2C67 C69 A81C67-L75 HydrophobicContact CB-CD2 3.91Å; C67-L75 WeakPolarHBondContact O-CD2 3.07Å; C69-L75 PolarHBondContact SG-N 2.71Å; C69-L75 VanDerWaalsContact SG-N 3.38Å; L75-A81 WeakPolarHBondContact CA-O 3.07Å
76D76Confident76.8Confident63 Ų6381.4 Ų81.434%0.33741%0.408SS..  trans-65.9166167.6-177.338.3000111.1R74 T78 R79 A81 V83R74-D76 PolarHBondContact O-N 2.65Å; D76-T78 PolarHBondContact O-N 2.03Å; D76-T78 PolarHBondContact OD2-OG1 3.2Å; D76-R79 WeakPolarHBondContact O-CA 3.2Å; D76-R79 PolarHBondContact O-N 3.02Å; D76-A81 PolarHBondContact N-O 3.5Å; D76-V83 HydrophobicContact CB-CG1 4.24Å
77M70.1Confident75.7Confident184 Ų18483.6 Ų83.691%0.90643%0.425SS*.THydrogen-bonded Turntrans-56.2-25.7179.5-60.8-64.4-94.300112.7R79M77-R79 VanDerWaalsContact C-N 3.31Å
78T72.1Confident74.5Confident83 Ų8391 Ų9151%0.50946%0.464SS..THydrogen-bonded Turntrans-78.2-8.8175.456.10000114.1D76 M80D76-T78 PolarHBondContact O-N 2.03Å; D76-T78 PolarHBondContact OD2-OG1 3.2Å; T78-M80 WeakPolarHBondContact O-CG 3.17Å; T78-M80 PolarHBondContact O-N 2.89Å; T78-M80 VanDerWaalsContact O-N 3.12Å
79R70Confident73.1Confident187 Ų18791.2 Ų91.271%0.70647%0.465SS*.SBendtrans56.317.4-175.4-59.8-174.3178.3176.3-0.7115.3D76 M77D76-R79 WeakPolarHBondContact O-CA 3.2Å; D76-R79 PolarHBondContact O-N 3.02Å; M77-R79 VanDerWaalsContact C-N 3.31Å
80M70Confident71.4Confident129 Ų12995.1 Ų95.164%0.63549%0.491SS*.SBendtrans-118.6-3-172.4-70.6164.882.200113.5G52 T78G52-M80 CarbonylContact C-O 3.49Å; G52-M80 WeakPolarHBondContact CA-O 3.48Å; T78-M80 WeakPolarHBondContact O-CG 3.17Å; T78-M80 PolarHBondContact O-N 2.89Å; T78-M80 VanDerWaalsContact O-N 3.12Å
81A75.1Confident69.8Low30 Ų3095.5 Ų95.525%0.24850%0.497CS..  trans-142.2140.4178.600000111.4L75 D76L75-A81 WeakPolarHBondContact CA-O 3.07Å; D76-A81 PolarHBondContact N-O 3.5Å
82C81.3Confident68.2Low3 Ų391.9 Ų91.92%0.0248%0.483CS..EExtended strand (participates in β ladder)trans-94.3105.4172.9-68.80000109.8T54 N55 C69 R74T54-C82 VanDerWaalsContact O-CB 3.29Å; T54-C82 WeakPolarHBondContact O-CB 3.42Å; N55-C82 HydrophobicContact CB-CB 4.31Å; C69-C82 WeakPolarHBondContact CA-SG 3.4Å; C69-C82 HydrophobicContact CB-CB 3.65Å; C69-C82 WeakPolarHBondContact CB-SG 3.28Å; C69-C82 VanDerWaalsContact SG-CA 3.6Å; C69-C82 WeakPolarHBondContact SG-CB 3.22Å; C69-C82 CovalentContact SG-SG 2.04Å; C69-C82 PolarHBondContact SG-SG 3.23Å; R74-C82 CarbonylContact O-C 3.27Å; R74-C82 WeakPolarHBondContact O-CA 3.48Å
83V81.8Confident66.9Low63 Ų6393.8 Ų93.838%0.38249%0.492SS..EExtended strand (participates in β ladder)trans-93.7142.6178.5-640000109.9Y73 R74 D76 F85Y73-V83 CarbonylContact C-O 3.58Å; Y73-V83 VanDerWaalsContact CA-O 3.22Å; Y73-V83 WeakPolarHBondContact CA-O 3.24Å; R74-V83 HydrophobicContact CG-CG2 4.12Å; R74-V83 PolarHBondContact N-O 3Å; R74-V83 WeakPolarHBondContact O-CG2 3.34Å; R74-V83 PolarHBondContact O-N 3.05Å; D76-V83 HydrophobicContact CB-CG1 4.24Å; V83-F85 PolarHBondContact O-N 2.67Å
84A79.6Confident65.6Low52 Ų5292.5 Ų92.543%0.4350%0.499SS..EExtended strand (participates in β ladder)trans-62102.917900000110.1G72 Y73 S86G72-A84 CarbonylContact O-C 3.46Å; G72-A84 WeakPolarHBondContact O-CA 3.4Å; Y73-A84 VanDerWaalsContact CD1-CA 3.4Å; Y73-A84 HydrophobicContact CD1-CB 3.88Å; Y73-A84 VanDerWaalsContact CD1-N 3.31Å; Y73-A84 HydrophobicContact CE1-CB 3.58Å; A84-S86 VanDerWaalsContact C-N 3.27Å; A84-S86 PolarHBondContact O-N 2.64Å
85F69.9Low64.1Low101 Ų10187.4 Ų87.444%0.44348%0.482SS..  trans-96.572161.8-169.2-92.9000104.9G72 R74 V83 S87G72-F85 CarbonylContact C-O 3.59Å; G72-F85 VanDerWaalsContact C-O 3.29Å; G72-F85 WeakPolarHBondContact CA-O 3.36Å; G72-F85 CarbonylContact O-C 3.52Å; G72-F85 PolarHBondContact O-N 2.87Å; R74-F85 HydrophobicContact CB-CB 3.98Å; R74-F85 HydrophobicContact CG-CB 3.73Å; R74-F85 HydrophobicContact CG-CD2 4.44Å; R74-F85 HydrophobicContact CG-CG 4.33Å; R74-F85 VanDerWaalsContact NH1-CD2 3.32Å; V83-F85 PolarHBondContact O-N 2.67Å; F85-S87 PolarHBondContact O-N 2.7Å
86S61.3Low63.3Low27 Ų2790.2 Ų90.219%0.18950%0.497CS..  trans-40.4113.1172.146.30000107.5G72 A84 D88 R89G72-S86 PolarHBondContact O-N 3.1Å; A84-S86 VanDerWaalsContact C-N 3.27Å; A84-S86 PolarHBondContact O-N 2.64Å; S86-D88 PolarHBondContact O-N 2.75Å; S86-R89 VanDerWaalsContact C-N 3.34Å; S86-R89 CarbonylContact O-C 3.42Å; S86-R89 VanDerWaalsContact O-C 3.23Å; S86-R89 WeakPolarHBondContact O-CA 3.26Å; S86-R89 WeakPolarHBondContact O-CB 3.47Å; S86-R89 PolarHBondContact O-N 3.17Å; S86-R89 WeakPolarHBondContact OG-CB 3.01Å; S86-R89 WeakPolarHBondContact OG-CD 3.05Å; S86-R89 WeakPolarHBondContact OG-CG 3.12Å; S86-R89 PolarHBondContact OG-NE 3.38Å
87S55.2Low62.5Low88 Ų8889.2 Ų89.262%0.61549%0.491SS*.G310 helixtrans-66.6-20.7172.9-172.90000109.9F85 R89 C90F85-S87 PolarHBondContact O-N 2.7Å; S87-R89 PolarHBondContact O-N 2.79Å; S87-C90 PolarHBondContact O-N 2.83Å
88D54Low62.4Low159 Ų15982.9 Ų82.985%0.8546%0.46SS*.G310 helixtrans-70.6-5.3163-60.1-68000113.6S86S86-D88 PolarHBondContact O-N 2.75Å
89R54.2Low62.2Low143 Ų14379.8 Ų79.854%0.5444%0.441SS..G310 helixtrans-10765.3153.6-64.7-174.5-80.7-148.2-7.5109.5S86 S87 L91S86-R89 VanDerWaalsContact C-N 3.34Å; S86-R89 CarbonylContact O-C 3.42Å; S86-R89 VanDerWaalsContact O-C 3.23Å; S86-R89 WeakPolarHBondContact O-CA 3.26Å; S86-R89 WeakPolarHBondContact O-CB 3.47Å; S86-R89 PolarHBondContact O-N 3.17Å; S86-R89 WeakPolarHBondContact OG-CB 3.01Å; S86-R89 WeakPolarHBondContact OG-CD 3.05Å; S86-R89 WeakPolarHBondContact OG-CG 3.12Å; S86-R89 PolarHBondContact OG-NE 3.38Å; S87-R89 PolarHBondContact O-N 2.79Å; R89-L91 HydrophobicContact CB-CB 4.17Å; R89-L91 HydrophobicContact CB-CD1 4.43Å; R89-L91 HydrophobicContact CG-CB 4.48Å; R89-L91 HydrophobicContact CG-CD1 3.82Å; R89-L91 PolarHBondContact O-N 3.11Å
90C49.6Very low61.9Low109 Ų10976.3 Ų76.374%0.73644%0.437SS*.  -59.979.4108.8-71.60000105.8S87 P92S87-C90 PolarHBondContact O-N 2.83Å; C90-P92 VanDerWaalsContact C-CD 3.49Å; C90-P92 VanDerWaalsContact C-N 3.25Å; C90-P92 WeakPolarHBondContact O-CD 3.07Å; C90-P92 VanDerWaalsContact O-N 3.16Å
91L47.2Very low61.4Low101 Ų10176.1 Ų76.153%0.52943%0.434SS..  trans-65.5108.3150.9-138.470.900098.8R89 S93 A94R89-L91 HydrophobicContact CB-CB 4.17Å; R89-L91 HydrophobicContact CB-CD1 4.43Å; R89-L91 HydrophobicContact CG-CB 4.48Å; R89-L91 HydrophobicContact CG-CD1 3.82Å; R89-L91 PolarHBondContact O-N 3.11Å; L91-S93 VanDerWaalsContact C-N 3.31Å; L91-S93 PolarHBondContact O-N 3.36Å; L91-S93 VanDerWaalsContact O-N 3.1Å; L91-A94 HydrophobicContact CD1-CB 4.16Å; L91-A94 HydrophobicContact CD2-CB 3.53Å; L91-A94 HydrophobicContact CG-CB 3.72Å
92P47.2Very low60.5Low93 Ų9375.3 Ų75.360%0.60443%0.427SS*.  trans-47.2124.4136.128.1-31.2000102.3C90 A94C90-P92 VanDerWaalsContact C-CD 3.49Å; C90-P92 VanDerWaalsContact C-N 3.25Å; C90-P92 WeakPolarHBondContact O-CD 3.07Å; C90-P92 VanDerWaalsContact O-N 3.16Å; P92-A94 VanDerWaalsContact C-N 3.29Å; P92-A94 WeakPolarHBondContact O-CA 3.41Å; P92-A94 PolarHBondContact O-N 3.43Å
93S50Low59.2Low66 Ų6683.8 Ų83.846%0.46247%0.466SS..  trans-8.195.6159.835.50000108.6L91 D95L91-S93 VanDerWaalsContact C-N 3.31Å; L91-S93 PolarHBondContact O-N 3.36Å; L91-S93 VanDerWaalsContact O-N 3.1Å; S93-D95 PolarHBondContact O-N 3.41Å
94A52.4Low57.9Low59 Ų5984.9 Ų84.949%0.48848%0.482SS..  trans-6796.9175.70000098.8L91 P92 I96L91-A94 HydrophobicContact CD1-CB 4.16Å; L91-A94 HydrophobicContact CD2-CB 3.53Å; L91-A94 HydrophobicContact CG-CB 3.72Å; P92-A94 VanDerWaalsContact C-N 3.29Å; P92-A94 WeakPolarHBondContact O-CA 3.41Å; P92-A94 PolarHBondContact O-N 3.43Å; A94-I96 VanDerWaalsContact C-N 3.25Å; A94-I96 PolarHBondContact O-N 3.28Å
95D51.1Low56.4Low36 Ų3686.4 Ų86.419%0.19350%0.495CS..  trans-54.2106.5-167.6-99.6-70.2000104.2S93 N97 T117 D118 G119S93-D95 PolarHBondContact O-N 3.41Å; D95-N97 PolarHBondContact O-N 3.35Å; D95-T117 VanDerWaalsContact OD1-O 3.05Å; D95-D118 WeakPolarHBondContact OD2-CA 3.33Å; D95-G119 WeakPolarHBondContact OD1-CA 3.48Å; D95-G119 PolarHBondContact OD1-N 3.12Å; D95-G119 PolarHBondContact OD2-N 2.82Å
96I61.3Low55.6Low119 Ų11985.5 Ų85.561%0.6150%0.501SS*.  trans-63.7104.7177.2-71.5172.300099.9A94 E98 E101A94-I96 VanDerWaalsContact C-N 3.25Å; A94-I96 PolarHBondContact O-N 3.28Å; I96-E98 HydrophobicContact CG2-CG 4.46Å; I96-E98 WeakPolarHBondContact O-CG 3.29Å; I96-E98 PolarHBondContact O-N 3.06Å; I96-E101 HydrophobicContact CG2-CG 4.48Å
97N59.5Low55.6Low42 Ų4289 Ų8923%0.22552%0.523CS..  trans-67.893.3-177-178.78.7000105.9D95 C99 D100 E101 N116D95-N97 PolarHBondContact O-N 3.35Å; N97-C99 PolarHBondContact O-N 3.41Å; N97-C99 WeakPolarHBondContact OD1-CB 2.86Å; N97-C99 PolarHBondContact OD1-N 2.72Å; N97-C99 PolarHBondContact OD1-SG 3.38Å; N97-D100 HydrophobicContact CB-CB 4.26Å; N97-D100 WeakPolarHBondContact CB-OD2 3.18Å; N97-D100 PolarHBondContact ND2-OD1 3.02Å; N97-D100 VanDerWaalsContact ND2-OD1 3.17Å; N97-D100 PolarHBondContact ND2-OD2 2.97Å; N97-D100 PolarHBondContact O-N 2.86Å; N97-E101 PolarHBondContact O-N 3.44Å; N97-N116 WeakPolarHBondContact CA-ND2 3.22Å; N97-N116 WeakPolarHBondContact CB-ND2 3.43Å; N97-N116 VanDerWaalsContact OD1-CB 3.26Å; N97-N116 WeakPolarHBondContact OD1-CB 3.27Å; N97-N116 VanDerWaalsContact OD1-CG 3.31Å
98E67.8Low56.2Low51 Ų5187.9 Ų87.924%0.23851%0.51CS..Hα-helixtrans-63.4-17.4-177.3-59.396.2159.600109.8I96 A102 L108 F121I96-E98 HydrophobicContact CG2-CG 4.46Å; I96-E98 WeakPolarHBondContact O-CG 3.29Å; I96-E98 PolarHBondContact O-N 3.06Å; E98-A102 VanDerWaalsContact O-CB 3.29Å; E98-A102 WeakPolarHBondContact O-CB 3.46Å; E98-A102 PolarHBondContact O-N 3.44Å; E98-L108 HydrophobicContact CB-CD1 3.7Å; E98-L108 WeakPolarHBondContact O-CD1 3.11Å; E98-F121 HydrophobicContact CB-CB 4.42Å; E98-F121 HydrophobicContact CB-CD1 3.71Å; E98-F121 HydrophobicContact CB-CE1 4.15Å; E98-F121 HydrophobicContact CB-CG 4.07Å; E98-F121 HydrophobicContact CG-CD1 3.86Å; E98-F121 HydrophobicContact CG-CE1 4.27Å; E98-F121 WeakPolarHBondContact OE2-CB 3.42Å
99C67.2Low57.1Low18 Ų1881.1 Ų81.112%0.12248%0.475CS..Hα-helixtrans-68.1-31.3169.8-48.80000114N97 C114 N116N97-C99 PolarHBondContact O-N 3.41Å; N97-C99 WeakPolarHBondContact OD1-CB 2.86Å; N97-C99 PolarHBondContact OD1-N 2.72Å; N97-C99 PolarHBondContact OD1-SG 3.38Å; C99-C114 WeakPolarHBondContact CA-SG 3.4Å; C99-C114 HydrophobicContact CB-CB 3.62Å; C99-C114 WeakPolarHBondContact CB-SG 3.46Å; C99-C114 WeakPolarHBondContact SG-CB 3.45Å; C99-C114 CovalentContact SG-SG 2.03Å; C99-C114 PolarHBondContact SG-SG 3.34Å; C99-N116 PolarHBondContact SG-N 2.83Å
100D64.3Low58.1Low114 Ų11477 Ų7761%0.6147%0.465SS*.Hα-helixtrans-76.5-34.8175.9-69.8-25.5000110.8N97N97-D100 HydrophobicContact CB-CB 4.26Å; N97-D100 WeakPolarHBondContact CB-OD2 3.18Å; N97-D100 PolarHBondContact ND2-OD1 3.02Å; N97-D100 VanDerWaalsContact ND2-OD1 3.17Å; N97-D100 PolarHBondContact ND2-OD2 2.97Å; N97-D100 PolarHBondContact O-N 2.86Å
101E58.6Low59.4Low125 Ų12575 Ų7558%0.58445%0.448SS*.Hα-helixtrans-71.3-32.1172.7-68.8-70.714100112.3I96 N97 E103 A104 A105I96-E101 HydrophobicContact CG2-CG 4.48Å; N97-E101 PolarHBondContact O-N 3.44Å; E101-E103 VanDerWaalsContact C-N 3.3Å; E101-E103 PolarHBondContact O-N 3.31Å; E101-A104 PolarHBondContact O-N 2.85Å; E101-A104 VanDerWaalsContact O-N 3.11Å; E101-A105 PolarHBondContact O-N 2.73Å
102A57.8Low60.8Low12 Ų1270.7 Ų70.710%0.09943%0.426CS..Hα-helixtrans-62.3-33.2178.400000113.6E98 A104 S106 L108E98-A102 VanDerWaalsContact O-CB 3.29Å; E98-A102 WeakPolarHBondContact O-CB 3.46Å; E98-A102 PolarHBondContact O-N 3.44Å; A102-A104 PolarHBondContact O-N 2.9Å; A102-S106 WeakPolarHBondContact CA-O 3.15Å; A102-S106 CarbonylContact O-C 3.03Å; A102-S106 VanDerWaalsContact O-C 3.31Å; A102-L108 HydrophobicContact CB-CB 3.88Å; A102-L108 HydrophobicContact CB-CD1 3.71Å; A102-L108 HydrophobicContact CB-CG 3.61Å
103E53.7Low62.2Low181 Ų18175.3 Ų75.385%0.84643%0.431SS*.Hα-helixtrans-70.8-21.8177.7-68.6-72.6125.200111.8E101E101-E103 VanDerWaalsContact C-N 3.3Å; E101-E103 PolarHBondContact O-N 3.31Å
104A53.3Low63.6Low87 Ų8774 Ų7472%0.71942%0.422SS*.Hα-helixtrans-95-34.8-174.200000114.5E101 A102E101-A104 PolarHBondContact O-N 2.85Å; E101-A104 VanDerWaalsContact O-N 3.11Å; A102-A104 PolarHBondContact O-N 2.9Å
105A48.5Very low64.9Low83 Ų8374.4 Ų74.469%0.68642%0.416SS*.Hα-helixtrans-123.8-33.7-167.500000115.9E101E101-A105 PolarHBondContact O-N 2.73Å
106S52.7Low65.9Low82 Ų8275.3 Ų75.357%0.57342%0.42SS*.  trans-174.5141.9176.4-95.70000110.8A102 L108A102-S106 WeakPolarHBondContact CA-O 3.15Å; A102-S106 CarbonylContact O-C 3.03Å; A102-S106 VanDerWaalsContact O-C 3.31Å; S106-L108 PolarHBondContact O-N 3.38Å
107P62.7Low66.4Low101 Ų10171.7 Ų71.766%0.65640%0.404SS*.  trans-66101178.727.5-33.1000110.1C109P107-C109 PolarHBondContact O-N 2.86Å
108L66.3Low66.8Low65 Ų6576.6 Ų76.634%0.3443%0.43SS..SBendtrans-60-32.2176.2-71179.5000112E98 A102 S106 F121 H136E98-L108 HydrophobicContact CB-CD1 3.7Å; E98-L108 WeakPolarHBondContact O-CD1 3.11Å; A102-L108 HydrophobicContact CB-CB 3.88Å; A102-L108 HydrophobicContact CB-CD1 3.71Å; A102-L108 HydrophobicContact CB-CG 3.61Å; S106-L108 PolarHBondContact O-N 3.38Å; L108-F121 HydrophobicContact CB-CE2 4.11Å; L108-F121 HydrophobicContact CD1-CE2 4.12Å; L108-F121 HydrophobicContact CD1-CZ 4.12Å; L108-H136 WeakPolarHBondContact O-CB 3.29Å
109C73.1Confident66.8Low17 Ų1776.7 Ų76.712%0.11545%0.445CS..SBendtrans-117.3118-179.9-60.30000111.2P107 A112 C123P107-C109 PolarHBondContact O-N 2.86Å; C109-A112 HydrophobicContact CB-CB 3.82Å; C109-C123 HydrophobicContact CB-CB 3.78Å; C109-C123 WeakPolarHBondContact CB-SG 3.33Å; C109-C123 WeakPolarHBondContact SG-CB 3.47Å; C109-C123 CovalentContact SG-SG 2.03Å; C109-C123 PolarHBondContact SG-SG 2.74Å
110V76.4Confident66.8Low55 Ų5578.9 Ų78.933%0.33346%0.46SS..BIsolated β-bridgetrans-95.9125177.2-1750000110.2A112 H136 H137 C138V110-A112 PolarHBondContact O-N 3.44Å; V110-H136 PolarHBondContact N-O 3.26Å; V110-H137 WeakPolarHBondContact CB-CD2 3.05Å; V110-C138 PolarHBondContact O-N 3.06Å; V110-C138 VanDerWaalsContact O-N 3.11Å
111N76.9Confident67.3Low69 Ų6975.3 Ų75.337%0.36944%0.439SS..SBendtrans57.324.9-173.9-59.1-45.4000114.6R126 F129 C138N111-R126 PolarHBondContact O-N 2.88Å; N111-R126 VanDerWaalsContact O-N 3.14Å; N111-F129 HydrophobicContact CB-CD1 3.77Å; N111-F129 HydrophobicContact CB-CE1 3.93Å; N111-F129 HydrophobicContact CB-CG 4.38Å; N111-C138 HydrophobicContact CB-CB 4.09Å; N111-C138 PolarHBondContact ND2-O 3.11Å
112A75.4Confident68.1Low9 Ų976.3 Ų76.37%0.07444%0.438CS..EExtended strand (participates in β ladder)trans-131.2164.3177.500000111.1C109 V110 C123 I124 C138C109-A112 HydrophobicContact CB-CB 3.82Å; V110-A112 PolarHBondContact O-N 3.44Å; A112-C123 HydrophobicContact CB-CB 3.74Å; A112-I124 CarbonylContact C-O 3.48Å; A112-I124 WeakPolarHBondContact CA-O 3.46Å; A112-I124 VanDerWaalsContact CB-O 3.28Å; A112-I124 WeakPolarHBondContact CB-O 3.29Å; A112-C138 VanDerWaalsContact CB-SG 3.57Å
113R77.7Confident69.2Low190 Ų19077.2 Ų77.272%0.71744%0.443SS*.EExtended strand (participates in β ladder)trans-96.7130164.6-68.4179.366.9-170.6-0.1108.3I124R113-I124 PolarHBondContact N-O 2.8Å; R113-I124 PolarHBondContact O-N 2.04Å
114C78.9Confident70.5Confident40 Ų4072.4 Ų72.427%0.2742%0.422SS..EExtended strand (participates in β ladder)trans-71.8137.3171.9-172.50000109.5C99C99-C114 WeakPolarHBondContact CA-SG 3.4Å; C99-C114 HydrophobicContact CB-CB 3.62Å; C99-C114 WeakPolarHBondContact CB-SG 3.46Å; C99-C114 WeakPolarHBondContact SG-CB 3.45Å; C99-C114 CovalentContact SG-SG 2.03Å; C99-C114 PolarHBondContact SG-SG 3.34Å
115L79.3Confident71.9Confident67 Ų6769.6 Ų69.635%0.35140%0.397SS..EExtended strand (participates in β ladder)trans-130.6116.3173.1-172.9134.3000108.4T117 R122 I124L115-T117 HydrophobicContact CD2-CG2 3.72Å; L115-R122 HydrophobicContact CB-CG 4.29Å; L115-R122 HydrophobicContact CD2-CG 4.16Å; L115-R122 PolarHBondContact N-O 2.82Å; L115-R122 PolarHBondContact O-N 3.14Å; L115-I124 HydrophobicContact CB-CD1 4.11Å; L115-I124 HydrophobicContact CB-CG1 4.5Å; L115-I124 HydrophobicContact CD1-CD1 3.84Å; L115-I124 HydrophobicContact CG-CD1 4.48Å
116N71.9Confident73.5Confident54 Ų5472.5 Ų72.529%0.28939%0.39SS..EExtended strand (participates in β ladder)trans-66.7139174.6-159.119.8000110.1N97 C99N97-N116 WeakPolarHBondContact CA-ND2 3.22Å; N97-N116 WeakPolarHBondContact CB-ND2 3.43Å; N97-N116 VanDerWaalsContact OD1-CB 3.26Å; N97-N116 WeakPolarHBondContact OD1-CB 3.27Å; N97-N116 VanDerWaalsContact OD1-CG 3.31Å; C99-N116 PolarHBondContact SG-N 2.83Å
117T72.8Confident74.8Confident44 Ų4474.9 Ų74.927%0.2740%0.404SS..EExtended strand (participates in β ladder)trans-130.6155.7174.852.70000109.7D95 L115 G119 S120 R122D95-T117 VanDerWaalsContact OD1-O 3.05Å; L115-T117 HydrophobicContact CD2-CG2 3.72Å; T117-G119 PolarHBondContact O-N 2.93Å; T117-S120 CarbonylContact C-O 3.47Å; T117-S120 VanDerWaalsContact C-O 3.27Å; T117-S120 VanDerWaalsContact CA-O 3.24Å; T117-S120 WeakPolarHBondContact CA-O 3.47Å; T117-S120 WeakPolarHBondContact CB-O 3.42Å; T117-S120 PolarHBondContact N-O 2.88Å; T117-S120 PolarHBondContact O-N 3.05Å; T117-S120 PolarHBondContact OG1-O 3.04Å; T117-R122 HydrophobicContact CG2-CG 4.13Å
118D67.6Low75.6Confident145 Ų14572.7 Ų72.778%0.77540%0.399SS*.THydrogen-bonded Turntrans-65.7111.6-178.1-138.8-101.1000110.1D95D95-D118 WeakPolarHBondContact OD2-CA 3.33Å
119G66.9Low76.2Confident53 Ų5373 Ų7355%0.54640%0.398SS..THydrogen-bonded Turntrans85.71.1-172.800000117.8D95 T117D95-G119 WeakPolarHBondContact OD1-CA 3.48Å; D95-G119 PolarHBondContact OD1-N 3.12Å; D95-G119 PolarHBondContact OD2-N 2.82Å; T117-G119 PolarHBondContact O-N 2.93Å
120S68.4Low76.6Confident63 Ų6374 Ų7444%0.44141%0.408SS..EExtended strand (participates in β ladder)trans-168.9175.1-177.3-161.90000113.4T117T117-S120 CarbonylContact C-O 3.47Å; T117-S120 VanDerWaalsContact C-O 3.27Å; T117-S120 VanDerWaalsContact CA-O 3.24Å; T117-S120 WeakPolarHBondContact CA-O 3.47Å; T117-S120 WeakPolarHBondContact CB-O 3.42Å; T117-S120 PolarHBondContact N-O 2.88Å; T117-S120 PolarHBondContact O-N 3.05Å; T117-S120 PolarHBondContact OG1-O 3.04Å
121F74Confident76.6Confident39 Ų3976.6 Ų76.617%0.17143%0.425CS..EExtended strand (participates in β ladder)trans-122.9153.1169.271.5-77.7000112.5E98 L108 H136E98-F121 HydrophobicContact CB-CB 4.42Å; E98-F121 HydrophobicContact CB-CD1 3.71Å; E98-F121 HydrophobicContact CB-CE1 4.15Å; E98-F121 HydrophobicContact CB-CG 4.07Å; E98-F121 HydrophobicContact CG-CD1 3.86Å; E98-F121 HydrophobicContact CG-CE1 4.27Å; E98-F121 WeakPolarHBondContact OE2-CB 3.42Å; L108-F121 HydrophobicContact CB-CE2 4.11Å; L108-F121 HydrophobicContact CD1-CE2 4.12Å; L108-F121 HydrophobicContact CD1-CZ 4.12Å; F121-H136 AromaticContact CE2-CE1 3.23Å; F121-H136 WeakPolarHBondContact CE2-CE1 3.45Å; F121-H136 AromaticContact CE2-ND1 3.34Å; F121-H136 VanDerWaalsContact CE2-ND1 3.34Å; F121-H136 WeakPolarHBondContact CE2-ND1 3.14Å; F121-H136 AromaticContact CZ-CE1 3.34Å; F121-H136 WeakPolarHBondContact CZ-CE1 3.25Å; F121-H136 AromaticContact CZ-ND1 3.88Å; F121-H136 AromaticContact CZ-NE2 3.77Å
122R75.6Confident76.6Confident147 Ų14775.8 Ų75.856%0.55542%0.423SS*.EExtended strand (participates in β ladder)trans-131.4146172.565.3178.6175.5165.1-0.2112.5L115 T117L115-R122 HydrophobicContact CB-CG 4.29Å; L115-R122 HydrophobicContact CD2-CG 4.16Å; L115-R122 PolarHBondContact N-O 2.82Å; L115-R122 PolarHBondContact O-N 3.14Å; T117-R122 HydrophobicContact CG2-CG 4.13Å
123C81.2Confident76.7Confident30 Ų3085 Ų8520%0.20346%0.464CS..EExtended strand (participates in β ladder)trans-96.6122.3176.5-60.50000110.5C109 A112 H136C109-C123 HydrophobicContact CB-CB 3.78Å; C109-C123 WeakPolarHBondContact CB-SG 3.33Å; C109-C123 WeakPolarHBondContact SG-CB 3.47Å; C109-C123 CovalentContact SG-SG 2.03Å; C109-C123 PolarHBondContact SG-SG 2.74Å; A112-C123 HydrophobicContact CB-CB 3.74Å; C123-H136 VanDerWaalsContact SG-CB 3.54Å; C123-H136 PolarHBondContact SG-ND1 3.44Å
124I81.5Confident76.4Confident81 Ų8181.7 Ų81.742%0.41546%0.457SS..EExtended strand (participates in β ladder)trans-99.1114.1174.5-59.9178.3000108.6A112 R113 L115A112-I124 CarbonylContact C-O 3.48Å; A112-I124 WeakPolarHBondContact CA-O 3.46Å; A112-I124 VanDerWaalsContact CB-O 3.28Å; A112-I124 WeakPolarHBondContact CB-O 3.29Å; R113-I124 PolarHBondContact N-O 2.8Å; R113-I124 PolarHBondContact O-N 2.04Å; L115-I124 HydrophobicContact CB-CD1 4.11Å; L115-I124 HydrophobicContact CB-CG1 4.5Å; L115-I124 HydrophobicContact CD1-CD1 3.84Å; L115-I124 HydrophobicContact CG-CD1 4.48Å
125C82Confident75.7Confident27 Ų2784.8 Ų84.818%0.18248%0.477CS..EExtended strand (participates in β ladder)trans-59.5144179.4-58.60000112.1F129 A130 C138C125-F129 HydrophobicContact CB-CB 4.06Å; C125-F129 WeakPolarHBondContact CB-O 3.46Å; C125-A130 VanDerWaalsContact SG-C 3.53Å; C125-C138 WeakPolarHBondContact CA-SG 3.41Å; C125-C138 HydrophobicContact CB-CB 3.74Å; C125-C138 WeakPolarHBondContact CB-SG 2.99Å; C125-C138 WeakPolarHBondContact SG-CB 3.46Å; C125-C138 CovalentContact SG-SG 2.04Å; C125-C138 PolarHBondContact SG-SG 2.94Å
126R81.8Confident75.3Confident145 Ų14585.2 Ų85.255%0.54748%0.477SS..PPolyproline II helixtrans-65.6156.9174.4-68.7-179.7-174.2-167.21.4110.9N111 G128 F129N111-R126 PolarHBondContact O-N 2.88Å; N111-R126 VanDerWaalsContact O-N 3.14Å; R126-G128 PolarHBondContact O-N 2.89Å; R126-F129 HydrophobicContact CB-CD2 4.29Å; R126-F129 WeakPolarHBondContact O-CB 3.03Å; R126-F129 PolarHBondContact O-N 3.03Å
127P79.8Confident75.5Confident132 Ų13286 Ų8686%0.85748%0.478SS*.THydrogen-bonded Turntrans-52.4130.8176.2-23.532.6000111.3
128G80.8Confident76Confident54 Ų5484 Ų8456%0.55747%0.467SS*.THydrogen-bonded Turntrans85.45.2-175.300000115R126 P140 A141R126-G128 PolarHBondContact O-N 2.89Å; G128-P140 CarbonylContact O-C 3.29Å; G128-P140 WeakPolarHBondContact O-CA 3.28Å; G128-A141 WeakPolarHBondContact O-CB 3.45Å; G128-A141 PolarHBondContact O-N 3.35Å
129F79.1Confident76.6Confident71 Ų7178.9 Ų78.931%0.31144%0.444SS..EExtended strand (participates in β ladder)trans-121.5145.6173.7-68-106.9000110.8N111 C125 R126 C138 A139 P140N111-F129 HydrophobicContact CB-CD1 3.77Å; N111-F129 HydrophobicContact CB-CE1 3.93Å; N111-F129 HydrophobicContact CB-CG 4.38Å; C125-F129 HydrophobicContact CB-CB 4.06Å; C125-F129 WeakPolarHBondContact CB-O 3.46Å; R126-F129 HydrophobicContact CB-CD2 4.29Å; R126-F129 WeakPolarHBondContact O-CB 3.03Å; R126-F129 PolarHBondContact O-N 3.03Å; F129-C138 HydrophobicContact CB-CB 4.06Å; F129-A139 CarbonylContact C-O 3.59Å; F129-A139 VanDerWaalsContact CA-O 3.25Å; F129-A139 WeakPolarHBondContact CA-O 3.5Å; F129-A139 VanDerWaalsContact CD1-C 3.45Å; F129-P140 HydrophobicContact CD1-CB 4.44Å; F129-P140 HydrophobicContact CE1-CB 4.26Å
130A80.1Confident77.1Confident40 Ų4080.6 Ų80.633%0.33145%0.446SS..EExtended strand (participates in β ladder)trans-120.7149.1178.500000110.6C125 C138 A139 A141C125-A130 VanDerWaalsContact SG-C 3.53Å; A130-C138 WeakPolarHBondContact O-CA 3.13Å; A130-A139 PolarHBondContact N-O 2.04Å; A130-A139 PolarHBondContact O-N 3.37Å; A130-A141 HydrophobicContact CB-CB 4.14Å
131P77.9Confident77.4Confident108 Ų10880 Ų8070%0.70144%0.444SS*.EExtended strand (participates in β ladder)trans-64139.6175.927-33.5000109.9
132T76.6Confident77.3Confident52 Ų5289 Ų8932%0.31948%0.477SS..  trans-96.4-179.7176.3680000111.2Q134 H137 A139T132-Q134 PolarHBondContact O-N 3.15Å; T132-Q134 PolarHBondContact OG1-N 2.64Å; T132-Q134 PolarHBondContact OG1-O 2.97Å; T132-H137 WeakPolarHBondContact CG2-O 3.03Å; T132-H137 PolarHBondContact N-O 3.23Å; T132-H137 VanDerWaalsContact N-O 3.1Å; T132-H137 PolarHBondContact OG1-O 2.03Å; T132-A139 HydrophobicContact CG2-CB 3.34Å
133H76.1Confident76.7Confident202 Ų20287.7 Ų87.794%0.93549%0.488SS*.SBendtrans-66.1-15169.1-69.4-77.7000113.2
134Q71.2Confident75.8Confident121 Ų12198.3 Ų98.357%0.56552%0.523SS*.SBendtrans-85.1130.5174.8-72.1178.5-30.500109.8T132 H136 H137T132-Q134 PolarHBondContact O-N 3.15Å; T132-Q134 PolarHBondContact OG1-N 2.64Å; T132-Q134 PolarHBondContact OG1-O 2.97Å; Q134-H136 PolarHBondContact O-N 3.26Å; Q134-H137 HydrophobicContact CB-CB 3.86Å; Q134-H137 PolarHBondContact O-N 3.47Å; Q134-H137 PolarHBondContact OE1-ND1 2.97Å
135P65.9Low74.4Confident106 Ų106102.6 Ų102.669%0.68857%0.571SS**THydrogen-bonded Turntrans-60.3136.6175.827.5-33.8000109.2H137P135-H137 PolarHBondContact O-N 2.77Å
136H70.3Confident74Confident75 Ų75106.4 Ų106.435%0.34759%0.59SS.*THydrogen-bonded Turntrans65.112.5177-42.7-75.8000117.2L108 V110 F121 C123 Q134L108-H136 WeakPolarHBondContact O-CB 3.29Å; V110-H136 PolarHBondContact N-O 3.26Å; F121-H136 AromaticContact CE2-CE1 3.23Å; F121-H136 WeakPolarHBondContact CE2-CE1 3.45Å; F121-H136 AromaticContact CE2-ND1 3.34Å; F121-H136 VanDerWaalsContact CE2-ND1 3.34Å; F121-H136 WeakPolarHBondContact CE2-ND1 3.14Å; F121-H136 AromaticContact CZ-CE1 3.34Å; F121-H136 WeakPolarHBondContact CZ-CE1 3.25Å; F121-H136 AromaticContact CZ-ND1 3.88Å; F121-H136 AromaticContact CZ-NE2 3.77Å; C123-H136 VanDerWaalsContact SG-CB 3.54Å; C123-H136 PolarHBondContact SG-ND1 3.44Å; Q134-H136 PolarHBondContact O-N 3.26Å
137H76.5Confident73.6Confident70 Ų70104.3 Ų104.332%0.32459%0.593SS.*BIsolated β-bridgetrans-116.3120.4179.8-157.2-113.9000112V110 T132 Q134 P135V110-H137 WeakPolarHBondContact CB-CD2 3.05Å; T132-H137 WeakPolarHBondContact CG2-O 3.03Å; T132-H137 PolarHBondContact N-O 3.23Å; T132-H137 VanDerWaalsContact N-O 3.1Å; T132-H137 PolarHBondContact OG1-O 2.03Å; Q134-H137 HydrophobicContact CB-CB 3.86Å; Q134-H137 PolarHBondContact O-N 3.47Å; Q134-H137 PolarHBondContact OE1-ND1 2.97Å; P135-H137 PolarHBondContact O-N 2.77Å
138C82.4Confident73.2Confident4 Ų4102.8 Ų102.83%0.02758%0.578CS.*EExtended strand (participates in β ladder)trans-105129.9177.9-61.70000111.4V110 N111 A112 C125 F129 A130V110-C138 PolarHBondContact O-N 3.06Å; V110-C138 VanDerWaalsContact O-N 3.11Å; N111-C138 HydrophobicContact CB-CB 4.09Å; N111-C138 PolarHBondContact ND2-O 3.11Å; A112-C138 VanDerWaalsContact CB-SG 3.57Å; C125-C138 WeakPolarHBondContact CA-SG 3.41Å; C125-C138 HydrophobicContact CB-CB 3.74Å; C125-C138 WeakPolarHBondContact CB-SG 2.99Å; C125-C138 WeakPolarHBondContact SG-CB 3.46Å; C125-C138 CovalentContact SG-SG 2.04Å; C125-C138 PolarHBondContact SG-SG 2.94Å; F129-C138 HydrophobicContact CB-CB 4.06Å; A130-C138 WeakPolarHBondContact O-CA 3.13Å
139A80.4Confident72.8Confident37 Ų37105.6 Ų105.631%0.30658%0.579SS.*EExtended strand (participates in β ladder)trans-107.1153.2175.400000110.4F129 A130 T132 A141F129-A139 CarbonylContact C-O 3.59Å; F129-A139 VanDerWaalsContact CA-O 3.25Å; F129-A139 WeakPolarHBondContact CA-O 3.5Å; F129-A139 VanDerWaalsContact CD1-C 3.45Å; A130-A139 PolarHBondContact N-O 2.04Å; A130-A139 PolarHBondContact O-N 3.37Å; T132-A139 HydrophobicContact CG2-CB 3.34Å; A139-A141 PolarHBondContact O-N 3.47Å
140P78.5Confident72.4Confident89 Ų89107.8 Ų107.858%0.57860%0.596SS**EExtended strand (participates in β ladder)trans-54.2126.2176.420-30.9000109.9G128 F129 R142G128-P140 CarbonylContact O-C 3.29Å; G128-P140 WeakPolarHBondContact O-CA 3.28Å; F129-P140 HydrophobicContact CD1-CB 4.44Å; F129-P140 HydrophobicContact CE1-CB 4.26Å; P140-R142 PolarHBondContact O-N 2.99Å
141A73.3Confident71.9Confident50 Ų50112.3 Ų112.341%0.41361%0.614SS.*  trans-62.8103175.300000106.3G128 A130 A139 P143G128-A141 WeakPolarHBondContact O-CB 3.45Å; G128-A141 PolarHBondContact O-N 3.35Å; A130-A141 HydrophobicContact CB-CB 4.14Å; A139-A141 PolarHBondContact O-N 3.47Å; A141-P143 VanDerWaalsContact O-N 3.14Å
142R73.4Confident71.4Confident228 Ų228112.6 Ų112.686%0.8661%0.607SS**  trans-54125.1174.2-80.4-177.9158.7-127.8-1.9106.9P140 R144P140-R142 PolarHBondContact O-N 2.99Å; R142-R144 PolarHBondContact O-N 2.97Å
143P62.4Low71Confident119 Ų119117.3 Ų117.377%0.77363%0.63SS**  trans-55.8130.5173.522.4-29.9000106.8A141 A145A141-P143 VanDerWaalsContact O-N 3.14Å; P143-A145 PolarHBondContact O-N 3.11Å
144R61.9Low70.6Confident253 Ų253110.3 Ų110.396%0.95560%0.604SS**  trans-58.7110.9165.4-80-176.7153.6-160.9-6.2105.8R142R142-R144 PolarHBondContact O-N 2.97Å
145A51.1Low70.6Confident171 Ų171109.3 Ų109.3100%1.41361%0.608SS**  trans-640169.600000110P143P143-A145 PolarHBondContact O-N 3.11Å

Retrieved 145 of 145 residues in 54.3 ms (Link to these results)