A0A087XZ29_POEFO Loading...

Sarcoglycan, delta (dystrophin-associated glycoprotein)

AlphaFold DB , UniProt , Accession A0A087XZ29, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 293 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
1M36.7Very low33.3Very low231 Ų231152.6 Ų152.6100%1.13877%0.768SS**  091.10-90.3165148.800106.6
2M33.3Very low33.3Very low166 Ų166152 Ų15282%0.81877%0.769SS**  75.597.1107.8-76.8179.9179.700109.7
3T28.6Very low33.8Very low115 Ų115151.2 Ų151.271%0.70678%0.776SS**  50.8125.88461.70000110.1
4Q34.1Very low34.1Very low140 Ų140153.1 Ų153.165%0.65478%0.78SS**  161.9148.471.1-136.3177.3-53.700102.5
5E36.8Very low34.1Very low146 Ų146150.6 Ų150.668%0.68278%0.782SS**  -170.9135.555.1-71.8-141.2108.900106.4
6Q33.4Very low34.4Very low145 Ų145148.1 Ų148.168%0.67878%0.781SS**  57.5133.582.5-82.1172.3-5900112.3
7C33.6Very low34.5Very low100 Ų100150.9 Ų150.968%0.67679%0.789SS**  cis-170.3136.726.9-123.90000107.9
8S29.6Very low34.7Very low97 Ų97152.8 Ų152.868%0.67879%0.79SS**  94.3115.693.166.30000116.2
9H33Very low34.8Very low175 Ų175150.9 Ų150.981%0.8179%0.788SS**  -173.6107.8122.6-122.1-89.1000114.5
10R32.7Very low34.9Very low212 Ų212151.8 Ų151.880%0.879%0.788SS**  trans28.7120.4132.3-142.8-179.5170.6139-5.3121.1
11N35Very low35.3Very low152 Ų152149.6 Ų149.681%0.81378%0.781SS**  179.9141.7110.1-88.6-21.2000112.2
12N33.4Very low35.6Very low145 Ų145148.9 Ų148.978%0.77577%0.767SS**  trans-111.8121.1-174.8-168.515.6000108.6
13V39Very low36Very low142 Ų142149.9 Ų149.986%0.86177%0.767SS**  trans-141.3115.1159.6178.20000107.9
14Q38.5Very low36.9Very low178 Ų178150.4 Ų150.483%0.83277%0.77SS**  trans-74.7125167.6-102.3167-29.900109.6
15S33.3Very low37.6Very low115 Ų115146.7 Ų146.780%0.80477%0.77SS**  -176.5118.6121.7-152.90000112.7
16S39.2Very low38.1Very low111 Ų111145 Ų14578%0.77676%0.764SS**  trans43.298.6143.3-172.60000120.5
17E36.3Very low39.1Very low196 Ų196148.7 Ų148.792%0.91677%0.773SS**  trans-156.5143.1133.5-116.6175.5168.800112
18K37.9Very low40.5Very low185 Ų185145.6 Ų145.680%0.80476%0.759SS**  trans-65.1156.1-167.3-70.1167.5-180171.20113.3Q20K18-Q20 PolarHBondContact O-N 2.83Å; K18-Q20 VanDerWaalsContact O-N 3.1Å
19P37.3Very low42.1Very low117 Ų117151 Ų15176%0.7676%0.764SS**  trans-66.2110.5179.326.5-32.8000111.4V21P19-V21 VanDerWaalsContact C-N 3.31Å; P19-V21 PolarHBondContact O-N 3.33Å
20Q37.6Very low43.7Very low167 Ų167152.8 Ų152.878%0.7876%0.764SS**  trans-75.786.4167-70.5-78-8.500108.6K18 Y22K18-Q20 PolarHBondContact O-N 2.83Å; K18-Q20 VanDerWaalsContact O-N 3.1Å; Q20-Y22 PolarHBondContact O-N 3.45Å; Q20-Y22 VanDerWaalsContact O-N 3.16Å
21V42.2Very low45.4Very low107 Ų107147.4 Ų147.465%0.64875%0.746SS**  trans-62.4110.1160.5176.20000106.7P19 K23P19-V21 VanDerWaalsContact C-N 3.31Å; P19-V21 PolarHBondContact O-N 3.33Å; V21-K23 HydrophobicContact CG1-CG 4.23Å; V21-K23 PolarHBondContact O-N 3.17Å
22Y42.6Very low47.5Very low215 Ų215148.7 Ų148.784%0.84374%0.74SS**  trans-66.479.4168.5-80.7-88.8000109.7Q20 V24Q20-Y22 PolarHBondContact O-N 3.45Å; Q20-Y22 VanDerWaalsContact O-N 3.16Å; Y22-V24 PolarHBondContact O-N 2.92Å
23K42.3Very low49.5Very low187 Ų187145.8 Ų145.881%0.81373%0.73SS**  trans-76.798.1155.6-89.8-177.8176.4177.40106.5V21 G25V21-K23 HydrophobicContact CG1-CG 4.23Å; V21-K23 PolarHBondContact O-N 3.17Å; K23-G25 PolarHBondContact O-N 3.41Å
24V47.8Very low51.5Low126 Ų126144 Ų14476%0.76472%0.715SS**  trans-67.779163.7-174.30000107.7Y22 I26Y22-V24 PolarHBondContact O-N 2.92Å; V24-I26 PolarHBondContact O-N 3.46Å
25G47.6Very low53.6Low63 Ų63142.7 Ų142.765%0.64970%0.703SS**  trans-87.691.4179.100000110.5K23 Y27K23-G25 PolarHBondContact O-N 3.41Å; G25-Y27 PolarHBondContact O-N 3.27Å; G25-Y27 VanDerWaalsContact O-N 3.16Å
26I49.1Very low56.1Low110 Ų110143.6 Ų143.656%0.56469%0.693SS**  trans-69.4108.1168.2-61.1173.5000108.3V24 K31V24-I26 PolarHBondContact O-N 3.46Å; I26-K31 VanDerWaalsContact O-CE 3.31Å; I26-K31 WeakPolarHBondContact O-CE 3.36Å
27Y52.7Low58.5Low222 Ų222144.3 Ų144.387%0.87168%0.683SS**  trans-84.5139.8-171.2-171.5-100.4000114G25 W29G25-Y27 PolarHBondContact O-N 3.27Å; G25-Y27 VanDerWaalsContact O-N 3.16Å; Y27-W29 PolarHBondContact O-N 3.08Å
28G63Low61Low36 Ų36138.4 Ų138.437%0.37166%0.66SS.*THydrogen-bonded Turntrans99.1-75137.200000119.7
29W63.2Low63.5Low209 Ų209134.1 Ų134.179%0.79265%0.645SS**THydrogen-bonded Turntrans-129.3-35.8-162.2-124.555.4000114Y27 K31 R32 C33Y27-W29 PolarHBondContact O-N 3.08Å; W29-K31 VanDerWaalsContact C-N 3.33Å; W29-K31 PolarHBondContact O-N 3.14Å; W29-R32 PolarHBondContact O-N 2.84Å; W29-C33 PolarHBondContact O-N 3.29Å
30R67.9Low66Low213 Ų213132.1 Ų132.180%0.80463%0.628SS**Hα-helixtrans-65.3-34.3176.2-65.4-177.2-179.3-178.60.1112.5C33 L34R30-C33 PolarHBondContact O-N 2.79Å; R30-L34 VanDerWaalsContact O-CB 3.31Å; R30-L34 WeakPolarHBondContact O-CB 3.46Å; R30-L34 PolarHBondContact O-N 2.71Å
31K68.9Low68.5Low100 Ų100127.9 Ų127.944%0.43561%0.61SS.*Hα-helixtrans-64-43.4171.4-78.7-167.1-177.8-176.70112.1I26 W29 C33 L34 Y35I26-K31 VanDerWaalsContact O-CE 3.31Å; I26-K31 WeakPolarHBondContact O-CE 3.36Å; W29-K31 VanDerWaalsContact C-N 3.33Å; W29-K31 PolarHBondContact O-N 3.14Å; K31-C33 VanDerWaalsContact C-N 3.35Å; K31-L34 PolarHBondContact O-N 2.84Å; K31-Y35 HydrophobicContact CB-CD2 4.21Å; K31-Y35 HydrophobicContact CB-CE2 3.97Å; K31-Y35 HydrophobicContact CD-CE2 4.44Å; K31-Y35 WeakPolarHBondContact O-CB 3.4Å; K31-Y35 WeakPolarHBondContact O-CD2 3.18Å; K31-Y35 PolarHBondContact O-N 3.15Å
32R77.5Confident70.9Confident178 Ų178127.7 Ų127.767%0.67260%0.603SS**Hα-helixtrans-66.3-38.6178.4-68.8178.7179.5161.10.3111.7W29 F36W29-R32 PolarHBondContact O-N 2.84Å; R32-F36 WeakPolarHBondContact O-CB 3.43Å; R32-F36 PolarHBondContact O-N 2.6Å
33C75.3Confident73.4Confident85 Ų85121.4 Ų121.457%0.57458%0.583SS**Hα-helixtrans-64.3-42.8172.3-170.40000111.7W29 R30 K31 F36 F37W29-C33 PolarHBondContact O-N 3.29Å; R30-C33 PolarHBondContact O-N 2.79Å; K31-C33 VanDerWaalsContact C-N 3.35Å; C33-F36 PolarHBondContact O-N 2.7Å; C33-F37 VanDerWaalsContact O-CB 3.29Å; C33-F37 WeakPolarHBondContact O-CB 3.34Å; C33-F37 PolarHBondContact O-N 2.79Å
34L81.6Confident75.8Confident104 Ų104116.7 Ų116.755%0.54557%0.567SS.*Hα-helixtrans-66.4-43.8176.4-167153.5000111.9R30 K31 F37 V38R30-L34 VanDerWaalsContact O-CB 3.31Å; R30-L34 WeakPolarHBondContact O-CB 3.46Å; R30-L34 PolarHBondContact O-N 2.71Å; K31-L34 PolarHBondContact O-N 2.84Å; L34-F37 PolarHBondContact O-N 3.09Å; L34-V38 HydrophobicContact CD2-CG2 3.86Å; L34-V38 WeakPolarHBondContact O-CB 3.44Å; L34-V38 VanDerWaalsContact O-CG2 3.26Å; L34-V38 WeakPolarHBondContact O-CG2 3.26Å; L34-V38 PolarHBondContact O-N 3.17Å
35Y82.5Confident78Confident150 Ų150114.8 Ų114.859%0.58855%0.551SS**Hα-helixtrans-64.9-38.4174.8-71.4-59000112.1K31 L39K31-Y35 HydrophobicContact CB-CD2 4.21Å; K31-Y35 HydrophobicContact CB-CE2 3.97Å; K31-Y35 HydrophobicContact CD-CE2 4.44Å; K31-Y35 WeakPolarHBondContact O-CB 3.4Å; K31-Y35 WeakPolarHBondContact O-CD2 3.18Å; K31-Y35 PolarHBondContact O-N 3.15Å; Y35-L39 WeakPolarHBondContact O-CB 3.43Å; Y35-L39 PolarHBondContact O-N 3.5Å
36F86.8Confident80.3Confident135 Ų135116.7 Ų116.759%0.59255%0.546SS*.Hα-helixtrans-64.6-42.7173.5-179.4-97.8000111.5R32 C33 L39 L40R32-F36 WeakPolarHBondContact O-CB 3.43Å; R32-F36 PolarHBondContact O-N 2.6Å; C33-F36 PolarHBondContact O-N 2.7Å; F36-L39 PolarHBondContact O-N 3.18Å; F36-L40 HydrophobicContact CE1-CD1 4.14Å; F36-L40 HydrophobicContact CZ-CD1 4.44Å; F36-L40 VanDerWaalsContact O-CB 3.28Å; F36-L40 WeakPolarHBondContact O-CB 3.39Å; F36-L40 PolarHBondContact O-N 3.19Å
37F88.2Confident82.5Confident125 Ų125116 Ų11655%0.54854%0.542SS..Hα-helixtrans-64.2-45.6175.9-177.4-100.3000111.8C33 L34 L39 L40 L41C33-F37 VanDerWaalsContact O-CB 3.29Å; C33-F37 WeakPolarHBondContact O-CB 3.34Å; C33-F37 PolarHBondContact O-N 2.79Å; L34-F37 PolarHBondContact O-N 3.09Å; F37-L39 VanDerWaalsContact C-N 3.34Å; F37-L39 PolarHBondContact O-N 3.35Å; F37-L40 PolarHBondContact O-N 3.46Å; F37-L41 HydrophobicContact CE1-CD1 3.95Å; F37-L41 HydrophobicContact CZ-CD1 4.33Å; F37-L41 VanDerWaalsContact O-CB 3.31Å; F37-L41 WeakPolarHBondContact O-CB 3.35Å; F37-L41 PolarHBondContact O-N 2.97Å
38V89.2Confident84.4Confident72 Ų72110 Ų11044%0.43653%0.525SS..Hα-helixtrans-62.7-40.9175170.40000111.1L34 L41 M42L34-V38 HydrophobicContact CD2-CG2 3.86Å; L34-V38 WeakPolarHBondContact O-CB 3.44Å; L34-V38 VanDerWaalsContact O-CG2 3.26Å; L34-V38 WeakPolarHBondContact O-CG2 3.26Å; L34-V38 PolarHBondContact O-N 3.17Å; V38-L41 PolarHBondContact O-N 3.15Å; V38-M42 WeakPolarHBondContact O-CB 3.48Å; V38-M42 VanDerWaalsContact O-CG 3.32Å; V38-M42 WeakPolarHBondContact O-CG 3.33Å; V38-M42 PolarHBondContact O-N 2.03Å
39L89.6Confident85.9Confident96 Ų96112.7 Ų112.750%0.50353%0.531SS..Hα-helixtrans-65.7-43.1176.2180130.8000111.7Y35 F36 F37 L41 M42 I43Y35-L39 WeakPolarHBondContact O-CB 3.43Å; Y35-L39 PolarHBondContact O-N 3.5Å; F36-L39 PolarHBondContact O-N 3.18Å; F37-L39 VanDerWaalsContact C-N 3.34Å; F37-L39 PolarHBondContact O-N 3.35Å; L39-L41 VanDerWaalsContact C-N 3.32Å; L39-L41 PolarHBondContact O-N 2.83Å; L39-M42 PolarHBondContact O-N 3.24Å; L39-I43 HydrophobicContact CD2-CD1 3.64Å; L39-I43 HydrophobicContact CG-CD1 4.17Å; L39-I43 VanDerWaalsContact O-CG1 3.29Å; L39-I43 WeakPolarHBondContact O-CG1 3Å; L39-I43 PolarHBondContact O-N 2.85Å
40L90.8Very high87.3Confident74 Ų74105.6 Ų105.639%0.38752%0.517SS..Hα-helixtrans-61.5-42.3174.3-174.9148.6000110.8F36 F37 I43 L44F36-L40 HydrophobicContact CE1-CD1 4.14Å; F36-L40 HydrophobicContact CZ-CD1 4.44Å; F36-L40 VanDerWaalsContact O-CB 3.28Å; F36-L40 WeakPolarHBondContact O-CB 3.39Å; F36-L40 PolarHBondContact O-N 3.19Å; F37-L40 PolarHBondContact O-N 3.46Å; L40-I43 PolarHBondContact O-N 3.39Å; L40-L44 HydrophobicContact CD2-CD1 3.65Å; L40-L44 HydrophobicContact CD2-CG 4.15Å; L40-L44 WeakPolarHBondContact O-CG 3.26Å; L40-L44 PolarHBondContact O-N 2.9Å
41L90.5Very high88.5Confident78 Ų7899.5 Ų99.541%0.40850%0.5SS..Hα-helixtrans-64.7-41.9176.3-153.1162.6000111.1F37 V38 L39 I43 L44 I45F37-L41 HydrophobicContact CE1-CD1 3.95Å; F37-L41 HydrophobicContact CZ-CD1 4.33Å; F37-L41 VanDerWaalsContact O-CB 3.31Å; F37-L41 WeakPolarHBondContact O-CB 3.35Å; F37-L41 PolarHBondContact O-N 2.97Å; V38-L41 PolarHBondContact O-N 3.15Å; L39-L41 VanDerWaalsContact C-N 3.32Å; L39-L41 PolarHBondContact O-N 2.83Å; L41-I43 PolarHBondContact O-N 2.86Å; L41-L44 PolarHBondContact O-N 2.93Å; L41-I45 HydrophobicContact CD2-CD1 3.51Å; L41-I45 HydrophobicContact CD2-CG1 4.04Å; L41-I45 WeakPolarHBondContact O-CG1 3.04Å; L41-I45 PolarHBondContact O-N 3.34Å
42M93Very high89.6Confident104 Ų10498.1 Ų98.151%0.51250%0.5SS..Hα-helixtrans-61.2-41.7172.8-76.1-63.8-70.500112.2V38 L39 I45 L46V38-M42 WeakPolarHBondContact O-CB 3.48Å; V38-M42 VanDerWaalsContact O-CG 3.32Å; V38-M42 WeakPolarHBondContact O-CG 3.33Å; V38-M42 PolarHBondContact O-N 2.03Å; L39-M42 PolarHBondContact O-N 3.24Å; M42-I45 PolarHBondContact O-N 3.04Å; M42-L46 WeakPolarHBondContact O-CG 3.44Å; M42-L46 PolarHBondContact O-N 3.21Å
43I94.6Very high90.1Very high82 Ų8294.4 Ų94.442%0.42149%0.492SS..Hα-helixtrans-64.1-44175.5-69.3165.3000110.6L39 L40 L41 I45 L46 I47L39-I43 HydrophobicContact CD2-CD1 3.64Å; L39-I43 HydrophobicContact CG-CD1 4.17Å; L39-I43 VanDerWaalsContact O-CG1 3.29Å; L39-I43 WeakPolarHBondContact O-CG1 3Å; L39-I43 PolarHBondContact O-N 2.85Å; L40-I43 PolarHBondContact O-N 3.39Å; L41-I43 PolarHBondContact O-N 2.86Å; I43-I45 VanDerWaalsContact C-N 3.31Å; I43-I45 PolarHBondContact O-N 2.04Å; I43-L46 PolarHBondContact O-N 3.21Å; I43-I47 HydrophobicContact CG2-CD1 3.78Å; I43-I47 HydrophobicContact CG2-CG1 4.35Å; I43-I47 WeakPolarHBondContact O-CG1 3.35Å; I43-I47 PolarHBondContact O-N 3.48Å
44L92.6Very high90.9Very high88 Ų8898.1 Ų98.146%0.46149%0.494SS..Hα-helixtrans-60.1-41175-72.5177000111.6L40 L41 I47 N48L40-L44 HydrophobicContact CD2-CD1 3.65Å; L40-L44 HydrophobicContact CD2-CG 4.15Å; L40-L44 WeakPolarHBondContact O-CG 3.26Å; L40-L44 PolarHBondContact O-N 2.9Å; L41-L44 PolarHBondContact O-N 2.93Å; L44-I47 PolarHBondContact O-N 2.91Å; L44-N48 WeakPolarHBondContact O-CB 3.49Å; L44-N48 VanDerWaalsContact O-CG 3.31Å; L44-N48 PolarHBondContact O-N 3.08Å; L44-N48 PolarHBondContact O-ND2 3.45Å
45I94.5Very high91.2Very high87 Ų8796.5 Ų96.545%0.44649%0.485SS..Hα-helixtrans-61.7-45.2174.7-70.8167.3000110.6L41 M42 I43 N48 L49L41-I45 HydrophobicContact CD2-CD1 3.51Å; L41-I45 HydrophobicContact CD2-CG1 4.04Å; L41-I45 WeakPolarHBondContact O-CG1 3.04Å; L41-I45 PolarHBondContact O-N 3.34Å; M42-I45 PolarHBondContact O-N 3.04Å; I43-I45 VanDerWaalsContact C-N 3.31Å; I43-I45 PolarHBondContact O-N 2.04Å; I45-N48 PolarHBondContact O-N 3.3Å; I45-L49 WeakPolarHBondContact O-CB 3.4Å; I45-L49 PolarHBondContact O-N 3.36Å
46L94.8Very high91.3Very high103 Ų10393.5 Ų93.554%0.53948%0.479SS..Hα-helixtrans-64.3-41.6179.3-70.9172.8000112.3M42 I43 L49 A50M42-L46 WeakPolarHBondContact O-CG 3.44Å; M42-L46 PolarHBondContact O-N 3.21Å; I43-L46 PolarHBondContact O-N 3.21Å; L46-L49 PolarHBondContact O-N 3.01Å; L46-A50 WeakPolarHBondContact O-CB 3.05Å; L46-A50 PolarHBondContact O-N 3.13Å
47I95.6Very high91.3Very high95 Ų9595.1 Ų95.149%0.48749%0.486SS..Hα-helixtrans-63.5-46.2175.5-68.3169000110.1I43 L44 L49 A50 L51I43-I47 HydrophobicContact CG2-CD1 3.78Å; I43-I47 HydrophobicContact CG2-CG1 4.35Å; I43-I47 WeakPolarHBondContact O-CG1 3.35Å; I43-I47 PolarHBondContact O-N 3.48Å; L44-I47 PolarHBondContact O-N 2.91Å; I47-L49 VanDerWaalsContact C-N 3.33Å; I47-L49 PolarHBondContact O-N 3.13Å; I47-A50 PolarHBondContact O-N 3.34Å; I47-L51 VanDerWaalsContact O-CB 3.29Å; I47-L51 WeakPolarHBondContact O-CB 3.25Å; I47-L51 PolarHBondContact O-N 3.26Å
48N92.6Very high91.1Very high95 Ų9593.9 Ų93.951%0.50849%0.488SS..Hα-helixtrans-62.3-40.7177.4-77.2-48.9000111.7L44 I45 L51 T52L44-N48 WeakPolarHBondContact O-CB 3.49Å; L44-N48 VanDerWaalsContact O-CG 3.31Å; L44-N48 PolarHBondContact O-N 3.08Å; L44-N48 PolarHBondContact O-ND2 3.45Å; I45-N48 PolarHBondContact O-N 3.3Å; N48-L51 PolarHBondContact O-N 3.12Å; N48-T52 WeakPolarHBondContact O-CG2 3.44Å; N48-T52 PolarHBondContact O-N 3.3Å; N48-T52 PolarHBondContact O-OG1 2.83Å
49L94Very high90.6Very high94 Ų9494.9 Ų94.949%0.49249%0.489SS..Hα-helixtrans-65.6-42.5175.6-176.171.6000112I45 L46 I47 L51 T52 I53I45-L49 WeakPolarHBondContact O-CB 3.4Å; I45-L49 PolarHBondContact O-N 3.36Å; L46-L49 PolarHBondContact O-N 3.01Å; I47-L49 VanDerWaalsContact C-N 3.33Å; I47-L49 PolarHBondContact O-N 3.13Å; L49-L51 VanDerWaalsContact C-N 3.31Å; L49-L51 PolarHBondContact O-N 2.63Å; L49-T52 WeakPolarHBondContact CA-OG1 3.48Å; L49-T52 PolarHBondContact O-N 2.69Å; L49-T52 PolarHBondContact O-OG1 3.46Å; L49-I53 HydrophobicContact CD1-CD1 4.38Å; L49-I53 HydrophobicContact CG-CD1 4.02Å; L49-I53 VanDerWaalsContact O-CG1 3.27Å; L49-I53 WeakPolarHBondContact O-CG1 3.24Å; L49-I53 PolarHBondContact O-N 2.85Å
50A93.4Very high90Very high60 Ų6095 Ų9550%0.49649%0.49SS..Hα-helixtrans-63.3-40.8176.300000111.2L46 I47 I53 W54L46-A50 WeakPolarHBondContact O-CB 3.05Å; L46-A50 PolarHBondContact O-N 3.13Å; I47-A50 PolarHBondContact O-N 3.34Å; A50-I53 PolarHBondContact O-N 2.71Å; A50-W54 VanDerWaalsContact O-CB 3.28Å; A50-W54 WeakPolarHBondContact O-CB 3.15Å; A50-W54 PolarHBondContact O-N 3.48Å
51L93.4Very high89.3Confident85 Ų8595.5 Ų95.545%0.44549%0.49SS..Hα-helixtrans-67.3-39.9177.9-169.8140.4000111.7I47 N48 L49 W54 I55I47-L51 VanDerWaalsContact O-CB 3.29Å; I47-L51 WeakPolarHBondContact O-CB 3.25Å; I47-L51 PolarHBondContact O-N 3.26Å; N48-L51 PolarHBondContact O-N 3.12Å; L49-L51 VanDerWaalsContact C-N 3.31Å; L49-L51 PolarHBondContact O-N 2.63Å; L51-W54 PolarHBondContact O-N 3.38Å; L51-I55 HydrophobicContact CD2-CD1 3.52Å; L51-I55 HydrophobicContact CD2-CG1 4.36Å; L51-I55 HydrophobicContact CG-CD1 4.39Å; L51-I55 VanDerWaalsContact O-CG1 3.31Å; L51-I55 WeakPolarHBondContact O-CG1 3.16Å; L51-I55 PolarHBondContact O-N 2.89Å
52T90.6Very high88.4Confident70 Ų7095.4 Ų95.443%0.42949%0.492SS..Hα-helixtrans-66-44.7174.454.40000112N48 L49 W54 I55 L56N48-T52 WeakPolarHBondContact O-CG2 3.44Å; N48-T52 PolarHBondContact O-N 3.3Å; N48-T52 PolarHBondContact O-OG1 2.83Å; L49-T52 WeakPolarHBondContact CA-OG1 3.48Å; L49-T52 PolarHBondContact O-N 2.69Å; L49-T52 PolarHBondContact O-OG1 3.46Å; T52-W54 VanDerWaalsContact C-N 3.28Å; T52-W54 PolarHBondContact O-N 3.31Å; T52-I55 PolarHBondContact O-N 3.35Å; T52-L56 VanDerWaalsContact O-CG 3.29Å; T52-L56 WeakPolarHBondContact O-CG 3.3Å; T52-L56 PolarHBondContact O-N 3.35Å
53I89.3Confident87.4Confident100 Ų10099.1 Ų99.151%0.51351%0.512SS..Hα-helixtrans-60.8-40.8175.6-67.7168.7000110.7L49 A50 L56 K57L49-I53 HydrophobicContact CD1-CD1 4.38Å; L49-I53 HydrophobicContact CG-CD1 4.02Å; L49-I53 VanDerWaalsContact O-CG1 3.27Å; L49-I53 WeakPolarHBondContact O-CG1 3.24Å; L49-I53 PolarHBondContact O-N 2.85Å; A50-I53 PolarHBondContact O-N 2.71Å; I53-L56 PolarHBondContact O-N 2.81Å; I53-K57 WeakPolarHBondContact O-CB 3.07Å; I53-K57 PolarHBondContact O-N 2.87Å
54W90.7Very high86.1Confident164 Ų16499.8 Ų99.862%0.62152%0.517SS*.Hα-helixtrans-65-45.2177.7179.759.5000112.4A50 L51 T52 L56 K57 V58A50-W54 VanDerWaalsContact O-CB 3.28Å; A50-W54 WeakPolarHBondContact O-CB 3.15Å; A50-W54 PolarHBondContact O-N 3.48Å; L51-W54 PolarHBondContact O-N 3.38Å; T52-W54 VanDerWaalsContact C-N 3.28Å; T52-W54 PolarHBondContact O-N 3.31Å; W54-L56 VanDerWaalsContact C-N 3.35Å; W54-L56 PolarHBondContact O-N 3.27Å; W54-K57 PolarHBondContact O-N 3.24Å; W54-V58 HydrophobicContact CD2-CG2 4.36Å; W54-V58 HydrophobicContact CG-CG2 4.44Å; W54-V58 HydrophobicContact CZ2-CG2 4.28Å; W54-V58 WeakPolarHBondContact O-CG2 3.03Å; W54-V58 PolarHBondContact O-N 3.2Å
55I88.8Confident85.2Confident69 Ų6995.9 Ų95.935%0.35450%0.498SS..Hα-helixtrans-59.2-46174.9-72.8172.6000110.8L51 T52 K57 V58 M59L51-I55 HydrophobicContact CD2-CD1 3.52Å; L51-I55 HydrophobicContact CD2-CG1 4.36Å; L51-I55 HydrophobicContact CG-CD1 4.39Å; L51-I55 VanDerWaalsContact O-CG1 3.31Å; L51-I55 WeakPolarHBondContact O-CG1 3.16Å; L51-I55 PolarHBondContact O-N 2.89Å; T52-I55 PolarHBondContact O-N 3.35Å; I55-K57 VanDerWaalsContact C-N 3.28Å; I55-K57 PolarHBondContact O-N 3.15Å; I55-V58 PolarHBondContact O-N 3.47Å; I55-M59 HydrophobicContact CG2-CE 3.58Å; I55-M59 HydrophobicContact CG2-CG 4.29Å; I55-M59 HydrophobicContact CG2-SD 4.43Å; I55-M59 WeakPolarHBondContact O-CB 3.27Å; I55-M59 WeakPolarHBondContact O-CG 3.28Å; I55-M59 PolarHBondContact O-N 3.24Å
56L85.1Confident84.5Confident87 Ų8796.1 Ų96.146%0.45550%0.498SS..Hα-helixtrans-59.1-41.3177.6-71.5171.1000111.6T52 I53 W54 N60 F61T52-L56 VanDerWaalsContact O-CG 3.29Å; T52-L56 WeakPolarHBondContact O-CG 3.3Å; T52-L56 PolarHBondContact O-N 3.35Å; I53-L56 PolarHBondContact O-N 2.81Å; W54-L56 VanDerWaalsContact C-N 3.35Å; W54-L56 PolarHBondContact O-N 3.27Å; L56-N60 PolarHBondContact O-N 2.84Å; L56-F61 HydrophobicContact CD2-CB 4Å; L56-F61 HydrophobicContact CD2-CD2 4.34Å; L56-F61 HydrophobicContact CD2-CG 4.18Å; L56-F61 PolarHBondContact O-N 2.89Å
57K85.1Confident83.8Confident169 Ų16993 Ų9374%0.73549%0.491SS*.Hα-helixtrans-66.7-45.5176.6-172.7-179.4-178.7173.90112.4I53 W54 I55 N60I53-K57 WeakPolarHBondContact O-CB 3.07Å; I53-K57 PolarHBondContact O-N 2.87Å; W54-K57 PolarHBondContact O-N 3.24Å; I55-K57 VanDerWaalsContact C-N 3.28Å; I55-K57 PolarHBondContact O-N 3.15Å; K57-N60 PolarHBondContact O-N 3.48Å; K57-N60 VanDerWaalsContact O-N 3.17Å
58V85.3Confident83.2Confident99 Ų9992.1 Ų92.160%0.649%0.487SS*.Hα-helixtrans-68-40-178.7170.10000111.6W54 I55 N60W54-V58 HydrophobicContact CD2-CG2 4.36Å; W54-V58 HydrophobicContact CG-CG2 4.44Å; W54-V58 HydrophobicContact CZ2-CG2 4.28Å; W54-V58 WeakPolarHBondContact O-CG2 3.03Å; W54-V58 PolarHBondContact O-N 3.2Å; I55-V58 PolarHBondContact O-N 3.47Å; V58-N60 PolarHBondContact O-N 2.8Å
59M79.4Confident82.8Confident93 Ų9390.2 Ų90.246%0.45848%0.477SS..THydrogen-bonded Turntrans-74.93.9174.7-69.3-152.2-6600113.4I55 F61I55-M59 HydrophobicContact CG2-CE 3.58Å; I55-M59 HydrophobicContact CG2-CG 4.29Å; I55-M59 HydrophobicContact CG2-SD 4.43Å; I55-M59 WeakPolarHBondContact O-CB 3.27Å; I55-M59 WeakPolarHBondContact O-CG 3.28Å; I55-M59 PolarHBondContact O-N 3.24Å; M59-F61 HydrophobicContact CB-CD2 3.58Å; M59-F61 HydrophobicContact CB-CE2 3.96Å; M59-F61 HydrophobicContact CE-CD2 3.83Å; M59-F61 HydrophobicContact CE-CE2 3.35Å; M59-F61 HydrophobicContact CE-CZ 4.4Å; M59-F61 PolarHBondContact O-N 2.9Å; M59-F61 HydrophobicContact SD-CE2 4.1Å
60N76.9Confident82.2Confident99 Ų9990.9 Ų90.953%0.52947%0.473SS..THydrogen-bonded Turntrans49.144-179.2-157.513.7000112.4L56 K57 V58 T62 G67L56-N60 PolarHBondContact O-N 2.84Å; K57-N60 PolarHBondContact O-N 3.48Å; K57-N60 VanDerWaalsContact O-N 3.17Å; V58-N60 PolarHBondContact O-N 2.8Å; N60-T62 PolarHBondContact O-N 2.86Å; N60-G67 PolarHBondContact O-N 3.42Å; N60-G67 VanDerWaalsContact O-N 3.12Å
61F76.1Confident81.7Confident85 Ų8594 Ų9437%0.37348%0.48SS..EExtended strand (participates in β ladder)trans-76.6115.7172.9-94.5-86.5000109.1L56 M59 M66L56-F61 HydrophobicContact CD2-CB 4Å; L56-F61 HydrophobicContact CD2-CD2 4.34Å; L56-F61 HydrophobicContact CD2-CG 4.18Å; L56-F61 PolarHBondContact O-N 2.89Å; M59-F61 HydrophobicContact CB-CD2 3.58Å; M59-F61 HydrophobicContact CB-CE2 3.96Å; M59-F61 HydrophobicContact CE-CD2 3.83Å; M59-F61 HydrophobicContact CE-CE2 3.35Å; M59-F61 HydrophobicContact CE-CZ 4.4Å; M59-F61 PolarHBondContact O-N 2.9Å; M59-F61 HydrophobicContact SD-CE2 4.1Å; F61-M66 HydrophobicContact CD1-CB 4.15Å; F61-M66 HydrophobicContact CD1-CG 4.47Å; F61-M66 HydrophobicContact CD2-CG 4.05Å; F61-M66 HydrophobicContact CE1-CB 3.91Å; F61-M66 HydrophobicContact CE1-CE 3.91Å; F61-M66 HydrophobicContact CE1-CG 4.18Å; F61-M66 HydrophobicContact CE2-CB 4.33Å; F61-M66 HydrophobicContact CE2-CE 3.46Å; F61-M66 VanDerWaalsContact CE2-CE 3.46Å; F61-M66 HydrophobicContact CE2-CG 3.69Å; F61-M66 HydrophobicContact CE2-SD 4.2Å; F61-M66 HydrophobicContact CG-CG 4.46Å; F61-M66 HydrophobicContact CZ-CB 4.07Å; F61-M66 HydrophobicContact CZ-CE 3.05Å; F61-M66 HydrophobicContact CZ-CG 3.84Å; F61-M66 HydrophobicContact CZ-SD 4.2Å
62T69.9Low81.1Confident76 Ų7692.9 Ų92.947%0.46648%0.476SS..EExtended strand (participates in β ladder)trans-111.9167.517261.60000109.1N60 D64 G65N60-T62 PolarHBondContact O-N 2.86Å; T62-D64 PolarHBondContact O-N 2.95Å; T62-G65 PolarHBondContact N-O 3.46Å; T62-G65 PolarHBondContact O-N 2.88Å; T62-G65 VanDerWaalsContact O-N 3.15Å; T62-G65 VanDerWaalsContact O-O 3.09Å; T62-G65 PolarHBondContact OG1-N 2.62Å; T62-G65 PolarHBondContact OG1-O 3.37Å
63I71.8Confident80.7Confident181 Ų18199.4 Ų99.493%0.92850%0.502SS*.THydrogen-bonded Turntrans-59.7-26.4174.9-62.1171.8000110.6
64D68.9Low80.2Confident97 Ų97104.7 Ų104.752%0.51952%0.521SS..THydrogen-bonded Turntrans-87.5-11.1-178.9-59.9-30.6000114T62 R70 I71T62-D64 PolarHBondContact O-N 2.95Å; D64-R70 VanDerWaalsContact O-CA 3.29Å; D64-R70 WeakPolarHBondContact O-CA 3.49Å; D64-I71 PolarHBondContact O-N 2.78Å; D64-I71 VanDerWaalsContact O-N 3.11Å
65G74.1Confident79.8Confident6 Ų698.5 Ų98.56%0.06251%0.509CS..EExtended strand (participates in β ladder)trans154.8-170.2-179.400000117.2T62 L69T62-G65 PolarHBondContact N-O 3.46Å; T62-G65 PolarHBondContact O-N 2.88Å; T62-G65 VanDerWaalsContact O-N 3.15Å; T62-G65 VanDerWaalsContact O-O 3.09Å; T62-G65 PolarHBondContact OG1-N 2.62Å; T62-G65 PolarHBondContact OG1-O 3.37Å; G65-L69 CarbonylContact C-O 3.5Å; G65-L69 WeakPolarHBondContact CA-O 3.47Å
66M79.3Confident79.5Confident92 Ų92101.1 Ų101.145%0.45352%0.523SS..EExtended strand (participates in β ladder)trans-110110.8177-176.3-155.3-71.300109.6F61 N68 L69F61-M66 HydrophobicContact CD1-CB 4.15Å; F61-M66 HydrophobicContact CD1-CG 4.47Å; F61-M66 HydrophobicContact CD2-CG 4.05Å; F61-M66 HydrophobicContact CE1-CB 3.91Å; F61-M66 HydrophobicContact CE1-CE 3.91Å; F61-M66 HydrophobicContact CE1-CG 4.18Å; F61-M66 HydrophobicContact CE2-CB 4.33Å; F61-M66 HydrophobicContact CE2-CE 3.46Å; F61-M66 VanDerWaalsContact CE2-CE 3.46Å; F61-M66 HydrophobicContact CE2-CG 3.69Å; F61-M66 HydrophobicContact CE2-SD 4.2Å; F61-M66 HydrophobicContact CG-CG 4.46Å; F61-M66 HydrophobicContact CZ-CB 4.07Å; F61-M66 HydrophobicContact CZ-CE 3.05Å; F61-M66 HydrophobicContact CZ-CG 3.84Å; F61-M66 HydrophobicContact CZ-SD 4.2Å; M66-N68 PolarHBondContact O-N 3.28Å; M66-L69 PolarHBondContact N-O 2.85Å; M66-L69 VanDerWaalsContact O-CB 3.31Å; M66-L69 WeakPolarHBondContact O-CB 3.37Å; M66-L69 PolarHBondContact O-N 3.07Å
67G79.8Confident79.5Confident38 Ų38101.9 Ų101.939%0.39252%0.522SS..THydrogen-bonded Turntrans57.4-122.9-179.100000112.6N60 L69N60-G67 PolarHBondContact O-N 3.42Å; N60-G67 VanDerWaalsContact O-N 3.12Å; G67-L69 VanDerWaalsContact C-N 3.3Å
68N82.4Confident79.5Confident76 Ų7697.3 Ų97.341%0.40651%0.506SS..THydrogen-bonded Turntrans-80.3-9.8177.1-74.7-7.5000113.2M66 L78 E79 D81M66-N68 PolarHBondContact O-N 3.28Å; N68-L78 HydrophobicContact CB-CD1 4.08Å; N68-L78 CarbonylContact O-C 3.54Å; N68-L78 WeakPolarHBondContact O-CA 3.26Å; N68-E79 WeakPolarHBondContact CB-O 3.21Å; N68-E79 PolarHBondContact O-N 2.73Å; N68-E79 PolarHBondContact OD1-O 2.83Å; N68-D81 PolarHBondContact ND2-O 3.12Å
69L84.1Confident79.3Confident55 Ų5595.8 Ų95.829%0.28849%0.492SS..EExtended strand (participates in β ladder)trans-89.5108.9-179.8-171.676.5000109.8G65 M66 G67 L76 L78G65-L69 CarbonylContact C-O 3.5Å; G65-L69 WeakPolarHBondContact CA-O 3.47Å; M66-L69 PolarHBondContact N-O 2.85Å; M66-L69 VanDerWaalsContact O-CB 3.31Å; M66-L69 WeakPolarHBondContact O-CB 3.37Å; M66-L69 PolarHBondContact O-N 3.07Å; G67-L69 VanDerWaalsContact C-N 3.3Å; L69-L76 HydrophobicContact CD1-CB 4.07Å; L69-L76 HydrophobicContact CD2-CD2 4.25Å; L69-L76 HydrophobicContact CG-CD2 4.4Å; L69-L78 HydrophobicContact CB-CD1 3.99Å; L69-L78 HydrophobicContact CD1-CB 4.31Å; L69-L78 HydrophobicContact CD1-CD1 3.91Å
70R82.3Confident79.5Confident108 Ų10894.1 Ų94.141%0.40850%0.499SS..EExtended strand (participates in β ladder)trans-94.8140.1172.7-60-170.1-173.5-109.91.4111.5D64 K77 E79D64-R70 VanDerWaalsContact O-CA 3.29Å; D64-R70 WeakPolarHBondContact O-CA 3.49Å; R70-K77 WeakPolarHBondContact CA-O 3.22Å; R70-K77 HydrophobicContact CB-CB 4.45Å; R70-K77 PolarHBondContact N-O 3.23Å; R70-K77 PolarHBondContact O-N 2.94Å; R70-E79 WeakPolarHBondContact CD-OE2 3.5Å; R70-E79 IonicContact CZ-OE2 3.37Å; R70-E79 IonicContact NE-OE2 2.98Å; R70-E79 PolarHBondContact NE-OE2 3.41Å; R70-E79 IonicContact NH2-OE2 3.52Å
71I82.1Confident79.7Confident126 Ų12696.9 Ų96.965%0.64651%0.514SS*.EExtended strand (participates in β ladder)trans-96.3115.9174-56.8173.3000107.3D64 L76D64-I71 PolarHBondContact O-N 2.78Å; D64-I71 VanDerWaalsContact O-N 3.11Å; I71-L76 HydrophobicContact CG1-CD2 3.92Å
72T82.3Confident80.1Confident60 Ų6095.2 Ų95.237%0.36851%0.513SS..EExtended strand (participates in β ladder)trans-112.4162.917767.90000110K74 G75 K77T72-K74 PolarHBondContact O-N 3.08Å; T72-G75 WeakPolarHBondContact CA-O 3.14Å; T72-G75 PolarHBondContact N-O 2.93Å; T72-G75 PolarHBondContact O-N 2.8Å; T72-G75 PolarHBondContact OG1-O 3.13Å; T72-K77 HydrophobicContact CG2-CB 3.96Å; T72-K77 HydrophobicContact CG2-CD 4.34Å
73E81.7Confident80.9Confident208 Ų20899.9 Ų99.997%0.97253%0.529SS*.THydrogen-bonded Turntrans-57.3-24176-61.8178.417600113.2
74K79.3Confident81.5Confident210 Ų21096.6 Ų96.691%0.91351%0.508SS*.THydrogen-bonded Turntrans-90.7-2.3179-63.2-178.7-179.6177.70113.3T72T72-K74 PolarHBondContact O-N 3.08Å
75G81.8Confident82.6Confident35 Ų35100.1 Ų100.136%0.36153%0.526SS..EExtended strand (participates in β ladder)trans123.3-156.6-177.500000113.2T72T72-G75 WeakPolarHBondContact CA-O 3.14Å; T72-G75 PolarHBondContact N-O 2.93Å; T72-G75 PolarHBondContact O-N 2.8Å; T72-G75 PolarHBondContact OG1-O 3.13Å
76L82.4Confident83.4Confident124 Ų124107.6 Ų107.665%0.64956%0.559SS**EExtended strand (participates in β ladder)trans-83.5129.8-177.5-61.8176.3000111L69 I71L69-L76 HydrophobicContact CD1-CB 4.07Å; L69-L76 HydrophobicContact CD2-CD2 4.25Å; L69-L76 HydrophobicContact CG-CD2 4.4Å; I71-L76 HydrophobicContact CG1-CD2 3.92Å
77K84Confident83.9Confident102 Ų102107.8 Ų107.844%0.44357%0.568SS.*EExtended strand (participates in β ladder)trans-119.9116.8176.1-172-173.9-173.4-169.70109.2R70 T72 E79R70-K77 WeakPolarHBondContact CA-O 3.22Å; R70-K77 HydrophobicContact CB-CB 4.45Å; R70-K77 PolarHBondContact N-O 3.23Å; R70-K77 PolarHBondContact O-N 2.94Å; T72-K77 HydrophobicContact CG2-CB 3.96Å; T72-K77 HydrophobicContact CG2-CD 4.34Å; K77-E79 HydrophobicContact CD-CG 4.06Å; K77-E79 WeakPolarHBondContact CD-OE1 3.5Å; K77-E79 WeakPolarHBondContact CE-OE1 3.28Å; K77-E79 HydrophobicContact CG-CG 4.09Å; K77-E79 IonicContact NZ-OE1 2.75Å; K77-E79 PolarHBondContact NZ-OE1 2.87Å
78L85.3Confident84.3Confident73 Ų73111.4 Ų111.438%0.38258%0.577SS.*EExtended strand (participates in β ladder)trans-96.1119.4176.4-167.767.3000109.3N68 L69 S82 F84N68-L78 HydrophobicContact CB-CD1 4.08Å; N68-L78 CarbonylContact O-C 3.54Å; N68-L78 WeakPolarHBondContact O-CA 3.26Å; L69-L78 HydrophobicContact CB-CD1 3.99Å; L69-L78 HydrophobicContact CD1-CB 4.31Å; L69-L78 HydrophobicContact CD1-CD1 3.91Å; L78-S82 WeakPolarHBondContact CD1-OG 3.17Å; L78-S82 VanDerWaalsContact CD2-OG 3.31Å; L78-S82 WeakPolarHBondContact CD2-OG 3.33Å; L78-S82 VanDerWaalsContact CG-OG 3.22Å; L78-S82 WeakPolarHBondContact CG-OG 3.49Å; L78-F84 HydrophobicContact CD2-CE1 4.02Å; L78-F84 HydrophobicContact CD2-CE2 4.1Å; L78-F84 HydrophobicContact CD2-CZ 3.34Å
79E81.9Confident84.6Confident67 Ų67117.6 Ų117.631%0.31360%0.597SS.*  trans-120.2117.3-178.6-66.1-174.3165.300110.7N68 R70 K77N68-E79 WeakPolarHBondContact CB-O 3.21Å; N68-E79 PolarHBondContact O-N 2.73Å; N68-E79 PolarHBondContact OD1-O 2.83Å; R70-E79 WeakPolarHBondContact CD-OE2 3.5Å; R70-E79 IonicContact CZ-OE2 3.37Å; R70-E79 IonicContact NE-OE2 2.98Å; R70-E79 PolarHBondContact NE-OE2 3.41Å; R70-E79 IonicContact NH2-OE2 3.52Å; K77-E79 HydrophobicContact CD-CG 4.06Å; K77-E79 WeakPolarHBondContact CD-OE1 3.5Å; K77-E79 WeakPolarHBondContact CE-OE1 3.28Å; K77-E79 HydrophobicContact CG-CG 4.09Å; K77-E79 IonicContact NZ-OE1 2.75Å; K77-E79 PolarHBondContact NZ-OE1 2.87Å
80G82.7Confident84.9Confident59 Ų59117.6 Ų117.661%0.60861%0.605SS**SBendtrans107.9-174.6179.500000113S82G80-S82 PolarHBondContact O-N 2.89Å; G80-S82 PolarHBondContact O-OG 3.08Å
81D82.6Confident85.1Confident157 Ų157123.2 Ų123.284%0.8463%0.632SS**  trans-66.2128.2-178.5-61-32.1000110N68N68-D81 PolarHBondContact ND2-O 3.12Å
82S84.3Confident85.5Confident50 Ų50122.6 Ų122.635%0.3563%0.626SS.*  trans-145.4142.1-175.9-61.10000110.9L78 G80L78-S82 WeakPolarHBondContact CD1-OG 3.17Å; L78-S82 VanDerWaalsContact CD2-OG 3.31Å; L78-S82 WeakPolarHBondContact CD2-OG 3.33Å; L78-S82 VanDerWaalsContact CG-OG 3.22Å; L78-S82 WeakPolarHBondContact CG-OG 3.49Å; G80-S82 PolarHBondContact O-N 2.89Å; G80-S82 PolarHBondContact O-OG 3.08Å
83E85.4Confident85.8Confident174 Ų174125.8 Ų125.881%0.81364%0.64SS**  trans-112138.9179.3-172.5173.5-170.900109.8
84F86.1Confident86.2Confident112 Ų112124.6 Ų124.649%0.49163%0.626SS.*  trans-117.1120.7177.6-61-87.5000109.1L78 Q86 L88L78-F84 HydrophobicContact CD2-CE1 4.02Å; L78-F84 HydrophobicContact CD2-CE2 4.1Å; L78-F84 HydrophobicContact CD2-CZ 3.34Å; F84-Q86 VanDerWaalsContact C-N 3.27Å; F84-Q86 PolarHBondContact O-N 2.92Å; F84-L88 HydrophobicContact CD1-CD1 4.2Å; F84-L88 HydrophobicContact CE1-CD1 3.89Å; F84-L88 HydrophobicContact CE2-CD2 4.39Å; F84-L88 HydrophobicContact CZ-CD1 4.22Å; F84-L88 HydrophobicContact CZ-CD2 4.34Å
85L89.9Confident86.8Confident170 Ų170116.8 Ų116.889%0.8960%0.598SS**SBendtrans-74.2-21177.5-63.7175.3000112.9
86Q91.6Very high87.1Confident163 Ų163118.6 Ų118.676%0.76261%0.606SS**SBendtrans-122.6161.9-177.4-71.2-174-1000110.8F84 L88F84-Q86 VanDerWaalsContact C-N 3.27Å; F84-Q86 PolarHBondContact O-N 2.92Å; Q86-L88 PolarHBondContact O-N 2.82Å
87P90.1Very high87.4Confident97 Ų97119.1 Ų119.163%0.6362%0.616SS**PPolyproline II helixtrans-56.6132.3176.6-2434.4000112.1Y89P87-Y89 HydrophobicContact CB-CE2 4.07Å
88L88.9Confident87.7Confident113 Ų113118.7 Ų118.759%0.59264%0.641SS**PPolyproline II helixtrans-88.4122.2173.7-17472.9000109.6F84 Q86F84-L88 HydrophobicContact CD1-CD1 4.2Å; F84-L88 HydrophobicContact CE1-CD1 3.89Å; F84-L88 HydrophobicContact CE2-CD2 4.39Å; F84-L88 HydrophobicContact CZ-CD1 4.22Å; F84-L88 HydrophobicContact CZ-CD2 4.34Å; Q86-L88 PolarHBondContact O-N 2.82Å
89Y88.4Confident87.9Confident207 Ų207124 Ų12481%0.81266%0.656SS**PPolyproline II helixtrans-99117171.9-60.3-85.6000108.9P87P87-Y89 HydrophobicContact CB-CE2 4.07Å
90A89.3Confident88.3Confident55 Ų55124.8 Ų124.846%0.45567%0.666SS.*  trans-126.9138.8178.500000109.7E92 I93A90-E92 VanDerWaalsContact C-N 3.29Å; A90-I93 HydrophobicContact CB-CG1 3.92Å
91K87.9Confident88.7Confident225 Ų225126.1 Ų126.198%0.97866%0.659SS**SBendtrans-68-34.2171.2-176.8178.1178.6-179.50111.4
92E89Confident89Confident114 Ų114127 Ų12753%0.53366%0.656SS.*  trans-145.7132.6-176.9-171-177.4173.500109.4A90 R94A90-E92 VanDerWaalsContact C-N 3.29Å; E92-R94 WeakPolarHBondContact OE1-CD 3.33Å; E92-R94 IonicContact OE1-CZ 3.52Å; E92-R94 IonicContact OE1-NE 3.69Å; E92-R94 IonicContact OE1-NH1 2.71Å; E92-R94 PolarHBondContact OE1-NH1 3.39Å; E92-R94 IonicContact OE2-CZ 3.46Å; E92-R94 VanDerWaalsContact OE2-CZ 3.26Å; E92-R94 IonicContact OE2-NE 2.83Å; E92-R94 IonicContact OE2-NH1 3.16Å; E92-R94 PolarHBondContact OE2-NH1 3.45Å; E92-R94 IonicContact OE2-NH2 2.85Å
93I89.8Confident89.2Confident126 Ų126130.5 Ų130.565%0.64667%0.67SS**  trans-118115.6171.1-57.6174.7000106.4A90 L101A90-I93 HydrophobicContact CB-CG1 3.92Å; I93-L101 HydrophobicContact CG2-CD1 4.27Å; I93-L101 HydrophobicContact CG2-CD2 4.03Å
94R90.4Very high89.4Confident183 Ų183131.8 Ų131.869%0.69168%0.676SS**  trans-137.3145.5-178.256.6174.5158.8-143.5-2.2111E92E92-R94 WeakPolarHBondContact OE1-CD 3.33Å; E92-R94 IonicContact OE1-CZ 3.52Å; E92-R94 IonicContact OE1-NE 3.69Å; E92-R94 IonicContact OE1-NH1 2.71Å; E92-R94 PolarHBondContact OE1-NH1 3.39Å; E92-R94 IonicContact OE2-CZ 3.46Å; E92-R94 VanDerWaalsContact OE2-CZ 3.26Å; E92-R94 IonicContact OE2-NE 2.83Å; E92-R94 IonicContact OE2-NH1 3.16Å; E92-R94 PolarHBondContact OE2-NH1 3.45Å; E92-R94 IonicContact OE2-NH2 2.85Å
95S91.3Very high89.5Confident46 Ų46129.6 Ų129.632%0.32268%0.675SS.*PPolyproline II helixtrans-80.7165.3166.8550000111R99S95-R99 WeakPolarHBondContact CB-O 3.19Å; S95-R99 PolarHBondContact OG-O 2.83Å
96S86.9Confident89.6Confident74 Ų74127.5 Ų127.552%0.51767%0.674SS.*PPolyproline II helixtrans-61.9148.6172.2-52.30000111G98 R99S96-G98 PolarHBondContact O-N 2.81Å; S96-R99 PolarHBondContact O-N 2.83Å
97P90.1Very high89.7Confident134 Ų134129.5 Ų129.587%0.8768%0.675SS**THydrogen-bonded Turntrans-50.9130.2177.5-2734.7000111.9R99P97-R99 VanDerWaalsContact C-N 3.27Å; P97-R99 PolarHBondContact O-N 2.9Å
98G89.3Confident89.8Confident93 Ų93129.5 Ų129.596%0.95967%0.67SS**THydrogen-bonded Turntrans76.23.8-17900000115.6S96S96-G98 PolarHBondContact O-N 2.81Å
99R90.1Very high90.1Very high185 Ų185126.2 Ų126.270%0.69865%0.654SS**SBendtrans-116.6141.3174.4-64.6-172.5177.8-178.7-1.1110.7S95 S96 P97S95-R99 WeakPolarHBondContact CB-O 3.19Å; S95-R99 PolarHBondContact OG-O 2.83Å; S96-R99 PolarHBondContact O-N 2.83Å; P97-R99 VanDerWaalsContact C-N 3.27Å; P97-R99 PolarHBondContact O-N 2.9Å
100P90.2Very high90.3Very high83 Ų83119.4 Ų119.454%0.53964%0.637SS.*PPolyproline II helixtrans-73.3155.6175.331.2-34.8000111.4F102P100-F102 HydrophobicContact CG-CD2 4.3Å; P100-F102 HydrophobicContact CG-CE1 4.13Å; P100-F102 HydrophobicContact CG-CE2 3.55Å; P100-F102 HydrophobicContact CG-CZ 3.45Å; P100-F102 VanDerWaalsContact CG-CZ 3.45Å
101L91.2Very high90.5Very high88 Ų88120.4 Ų120.446%0.46164%0.637SS.*PPolyproline II helixtrans-82.7116.1168.5178.564.8000108.7I93 L103I93-L101 HydrophobicContact CG2-CD1 4.27Å; I93-L101 HydrophobicContact CG2-CD2 4.03Å; L101-L103 HydrophobicContact CG-CD2 4.5Å; L101-L103 HydrophobicContact CG-CG 4.43Å
102F89.2Confident90.8Very high175 Ų175113.2 Ų113.277%0.76861%0.609SS**PPolyproline II helixtrans-93.4124.6177-67.5-78.1000110.4P100P100-F102 HydrophobicContact CG-CD2 4.3Å; P100-F102 HydrophobicContact CG-CE1 4.13Å; P100-F102 HydrophobicContact CG-CE2 3.55Å; P100-F102 HydrophobicContact CG-CZ 3.45Å; P100-F102 VanDerWaalsContact CG-CZ 3.45Å
103L88.6Confident91.1Very high124 Ų124111.6 Ų111.665%0.64960%0.604SS**  trans-120.3109.6172-61.9174.5000107.9L101L101-L103 HydrophobicContact CG-CD2 4.5Å; L101-L103 HydrophobicContact CG-CG 4.43Å
104Q88.4Confident91.3Very high200 Ų200109 Ų10994%0.93559%0.594SS**  trans-116.3132180-174.2174.6-700109.9
105S89.3Confident91.5Very high66 Ų66102.3 Ų102.346%0.46257%0.571SS.*  trans-145.4143.6179.2-179.20000109.7R107S105-R107 VanDerWaalsContact CB-O 3.26Å; S105-R107 WeakPolarHBondContact CB-O 3.14Å; S105-R107 PolarHBondContact OG-N 2.73Å; S105-R107 VanDerWaalsContact OG-N 3.08Å; S105-R107 PolarHBondContact OG-O 2.61Å
106S91.6Very high91.6Very high126 Ų126105.8 Ų105.888%0.88160%0.596SS**SBendtrans-77.8-7.6169.356.70000112.6
107R92.8Very high92Very high205 Ų205107.9 Ų107.977%0.77460%0.601SS**SBendtrans-123.4171.6178.9-62.2-178.1-177.9-94.11110.4S105 V109S105-R107 VanDerWaalsContact CB-O 3.26Å; S105-R107 WeakPolarHBondContact CB-O 3.14Å; S105-R107 PolarHBondContact OG-N 2.73Å; S105-R107 VanDerWaalsContact OG-N 3.08Å; S105-R107 PolarHBondContact OG-O 2.61Å; R107-V109 PolarHBondContact O-N 2.98Å
108N94Very high92Very high98 Ų98108 Ų10852%0.52459%0.594SS.*  trans-56.4136177.4-62.2-5.3000111.3V125 T126 G127N108-V125 HydrophobicContact CB-CG1 4.23Å; N108-T126 CarbonylContact C-O 3.54Å; N108-T126 VanDerWaalsContact CA-O 3.3Å; N108-T126 WeakPolarHBondContact CA-O 3.4Å; N108-G127 VanDerWaalsContact OD1-CA 3.32Å; N108-G127 WeakPolarHBondContact OD1-CA 2.95Å
109V93.9Very high92.2Very high43 Ų43109.1 Ų109.126%0.26158%0.575SS.*EExtended strand (participates in β ladder)trans-99.3129.6171.9-179.60000107.4R107 V125 T126R107-V109 PolarHBondContact O-N 2.98Å; V109-V125 WeakPolarHBondContact O-CA 3.48Å; V109-T126 HydrophobicContact CB-CG2 3.86Å; V109-T126 PolarHBondContact N-O 3.28Å; V109-T126 PolarHBondContact O-N 2.88Å
110S93.7Very high92.4Very high64 Ų64103.7 Ų103.745%0.44856%0.559SS.*EExtended strand (participates in β ladder)trans-124.4132.1176.366.60000110.8N112 L124S110-N112 PolarHBondContact OG-ND2 2.75Å; S110-L124 CarbonylContact C-O 3.53Å; S110-L124 VanDerWaalsContact CA-O 3.29Å; S110-L124 WeakPolarHBondContact CA-O 3.43Å
111V93.3Very high92.5Very high77 Ų77104.3 Ų104.347%0.46756%0.557SS.*EExtended strand (participates in β ladder)trans-109.9114.3171.5-1770000106.8I113 Q123 L124V111-I113 HydrophobicContact CG1-CD1 4.46Å; V111-Q123 WeakPolarHBondContact O-CA 3.38Å; V111-L124 HydrophobicContact CB-CB 4.36Å; V111-L124 PolarHBondContact N-O 2.78Å; V111-L124 PolarHBondContact O-N 2.8Å
112N94.4Very high92.7Very high74 Ų74102.3 Ų102.340%0.39655%0.549SS..EExtended strand (participates in β ladder)trans-115.5128.9-175.4-59.6-52.2000109.2S110 L120 T122 Q123S110-N112 PolarHBondContact OG-ND2 2.75Å; N112-L120 HydrophobicContact CB-CD1 3.68Å; N112-T122 WeakPolarHBondContact CA-O 3.44Å; N112-Q123 VanDerWaalsContact OD1-CG 3.32Å; N112-Q123 WeakPolarHBondContact OD1-CG 3.48Å; N112-Q123 PolarHBondContact OD1-NE2 3.23Å
113I94.7Very high92.9Very high80 Ų8096.6 Ų96.641%0.4153%0.525SS..EExtended strand (participates in β ladder)trans-104.6122.1170.3-61.890.3000106.6V111 L121 T122V111-I113 HydrophobicContact CG1-CD1 4.46Å; I113-L121 HydrophobicContact CG2-CB 4.46Å; I113-L121 HydrophobicContact CG2-CD1 4.45Å; I113-L121 WeakPolarHBondContact O-CB 3.47Å; I113-L121 PolarHBondContact O-N 3.4Å; I113-T122 HydrophobicContact CD1-CG2 4.09Å; I113-T122 PolarHBondContact N-O 2.8Å; I113-T122 PolarHBondContact O-N 3.11Å
114V94.2Very high93.2Very high72 Ų7293.6 Ų93.644%0.43651%0.509SS..EExtended strand (participates in β ladder)trans-115.3154-179.4-62.30000110.9Q119 L120V114-Q119 CarbonylContact C-O 3.57Å; V114-Q119 WeakPolarHBondContact CA-O 3.3Å; V114-L120 HydrophobicContact CG1-CD1 4.45Å
115N93.7Very high93.5Very high42 Ų4285.4 Ų85.423%0.22547%0.473CS..  trans-84.7179.5172.6727.9000112.2N117 N118 Q119 L121N115-N117 PolarHBondContact O-N 3.39Å; N115-N117 VanDerWaalsContact O-N 3.14Å; N115-N117 VanDerWaalsContact OD1-C 3.27Å; N115-N117 WeakPolarHBondContact OD1-CA 3.43Å; N115-N117 WeakPolarHBondContact OD1-CB 3.26Å; N115-N117 PolarHBondContact OD1-N 3.37Å; N115-N118 PolarHBondContact O-N 2.94Å; N115-N118 PolarHBondContact OD1-N 3.24Å; N115-N118 VanDerWaalsContact OD1-N 3.16Å; N115-Q119 PolarHBondContact N-O 3.18Å; N115-Q119 PolarHBondContact ND2-OE1 3.26Å; N115-Q119 WeakPolarHBondContact OD1-CB 3.32Å; N115-Q119 PolarHBondContact OD1-N 2.82Å; N115-L121 HydrophobicContact CB-CD1 3.89Å; N115-L121 HydrophobicContact CB-CD2 4.08Å; N115-L121 HydrophobicContact CB-CG 4Å
116S95.1Very high93.7Very high119 Ų11985.6 Ų85.683%0.83247%0.471SS*.THydrogen-bonded Turntrans-57.9-25176.556.50000114N118S116-N118 VanDerWaalsContact C-N 3.27Å
117N94.2Very high93.7Very high118 Ų11880.7 Ų80.763%0.63144%0.44SS*.THydrogen-bonded Turntrans-9314.3178.7-57.9-13.4000111.8N115 Q119N115-N117 PolarHBondContact O-N 3.39Å; N115-N117 VanDerWaalsContact O-N 3.14Å; N115-N117 VanDerWaalsContact OD1-C 3.27Å; N115-N117 WeakPolarHBondContact OD1-CA 3.43Å; N115-N117 WeakPolarHBondContact OD1-CB 3.26Å; N115-N117 PolarHBondContact OD1-N 3.37Å; N117-Q119 HydrophobicContact CB-CG 4.26Å; N117-Q119 PolarHBondContact O-N 2.86Å
118N91.2Very high93.6Very high135 Ų13577.1 Ų77.172%0.72245%0.447SS*.SBendtrans60.622.4-178.7-144.746.3000114.6N115 S116N115-N118 PolarHBondContact O-N 2.94Å; N115-N118 PolarHBondContact OD1-N 3.24Å; N115-N118 VanDerWaalsContact OD1-N 3.16Å; S116-N118 VanDerWaalsContact C-N 3.27Å
119Q93.4Very high93.3Very high118 Ų11877 Ų7755%0.55145%0.453SS*.  trans-87.1137.9175-56.5173-38.100110.1V114 N115 N117 L121V114-Q119 CarbonylContact C-O 3.57Å; V114-Q119 WeakPolarHBondContact CA-O 3.3Å; N115-Q119 PolarHBondContact N-O 3.18Å; N115-Q119 PolarHBondContact ND2-OE1 3.26Å; N115-Q119 WeakPolarHBondContact OD1-CB 3.32Å; N115-Q119 PolarHBondContact OD1-N 2.82Å; N117-Q119 HydrophobicContact CB-CG 4.26Å; N117-Q119 PolarHBondContact O-N 2.86Å; Q119-L121 PolarHBondContact O-N 2.72Å
120L92.4Very high93.1Very high70 Ų7076.6 Ų76.637%0.36646%0.458SS..EExtended strand (participates in β ladder)trans-69118.6179.4-174.769.2000111.4N112 V114 Q123N112-L120 HydrophobicContact CB-CD1 3.68Å; V114-L120 HydrophobicContact CG1-CD1 4.45Å; L120-Q123 HydrophobicContact CD1-CB 4.16Å; L120-Q123 HydrophobicContact CD2-CB 3.98Å; L120-Q123 HydrophobicContact CG-CB 4.36Å
121L93.1Very high93Very high96 Ų9679.2 Ų79.250%0.50346%0.461SS..EExtended strand (participates in β ladder)trans-94.3-45.4176-63.7-179.7000112.1I113 N115 Q119I113-L121 HydrophobicContact CG2-CB 4.46Å; I113-L121 HydrophobicContact CG2-CD1 4.45Å; I113-L121 WeakPolarHBondContact O-CB 3.47Å; I113-L121 PolarHBondContact O-N 3.4Å; N115-L121 HydrophobicContact CB-CD1 3.89Å; N115-L121 HydrophobicContact CB-CD2 4.08Å; N115-L121 HydrophobicContact CB-CG 4Å; Q119-L121 PolarHBondContact O-N 2.72Å
122T94.6Very high93Very high47 Ų4782.1 Ų82.129%0.28847%0.468SS..EExtended strand (participates in β ladder)trans-146141.9-177.3-60.90000109.4N112 I113 R134N112-T122 WeakPolarHBondContact CA-O 3.44Å; I113-T122 HydrophobicContact CD1-CG2 4.09Å; I113-T122 PolarHBondContact N-O 2.8Å; I113-T122 PolarHBondContact O-N 3.11Å; T122-R134 CarbonylContact C-O 3.45Å; T122-R134 VanDerWaalsContact CA-O 3.28Å; T122-R134 WeakPolarHBondContact CA-O 3.38Å; T122-R134 WeakPolarHBondContact CG2-O 3.13Å
123Q95.2Very high93Very high55 Ų5581 Ų8126%0.25747%0.468SS..EExtended strand (participates in β ladder)trans-139129.4-178.3170.3169.974.900109.8V111 N112 L120 V125 A133 R134V111-Q123 WeakPolarHBondContact O-CA 3.38Å; N112-Q123 VanDerWaalsContact OD1-CG 3.32Å; N112-Q123 WeakPolarHBondContact OD1-CG 3.48Å; N112-Q123 PolarHBondContact OD1-NE2 3.23Å; L120-Q123 HydrophobicContact CD1-CB 4.16Å; L120-Q123 HydrophobicContact CD2-CB 3.98Å; L120-Q123 HydrophobicContact CG-CB 4.36Å; Q123-V125 HydrophobicContact CG-CG2 3.51Å; Q123-A133 WeakPolarHBondContact O-CA 3.29Å; Q123-R134 HydrophobicContact CB-CB 4.36Å; Q123-R134 PolarHBondContact N-O 2.82Å; Q123-R134 PolarHBondContact O-N 2.83Å
124L94.4Very high92.9Very high60 Ų6085.5 Ų85.531%0.31448%0.48SS..EExtended strand (participates in β ladder)trans-118119170.1-59.8175.3000107.6S110 V111 F131 A133S110-L124 CarbonylContact C-O 3.53Å; S110-L124 VanDerWaalsContact CA-O 3.29Å; S110-L124 WeakPolarHBondContact CA-O 3.43Å; V111-L124 HydrophobicContact CB-CB 4.36Å; V111-L124 PolarHBondContact N-O 2.78Å; V111-L124 PolarHBondContact O-N 2.8Å; L124-F131 HydrophobicContact CD2-CZ 3.96Å; L124-A133 HydrophobicContact CD2-CB 3.6Å
125V94.8Very high92.8Very high29 Ų2984.1 Ų84.118%0.17648%0.481CS..EExtended strand (participates in β ladder)trans-120.3127.9178.6-171.40000109.2N108 V109 Q123 K132N108-V125 HydrophobicContact CB-CG1 4.23Å; V109-V125 WeakPolarHBondContact O-CA 3.48Å; Q123-V125 HydrophobicContact CG-CG2 3.51Å; V125-K132 HydrophobicContact CB-CB 4.5Å; V125-K132 PolarHBondContact N-O 3.19Å; V125-K132 PolarHBondContact O-N 3.37Å
126T94.1Very high92.7Very high70 Ų7089.9 Ų89.943%0.42950%0.504SS..EExtended strand (participates in β ladder)trans-120.6137171.2-1730000109.5N108 V109N108-T126 CarbonylContact C-O 3.54Å; N108-T126 VanDerWaalsContact CA-O 3.3Å; N108-T126 WeakPolarHBondContact CA-O 3.4Å; V109-T126 HydrophobicContact CB-CG2 3.86Å; V109-T126 PolarHBondContact N-O 3.28Å; V109-T126 PolarHBondContact O-N 2.88Å
127G91.1Very high92.6Very high23 Ų2388.5 Ų88.524%0.23749%0.485CS..EExtended strand (participates in β ladder)trans-159.4-174.7-177.800000111.5N108 S129 G130N108-G127 VanDerWaalsContact OD1-CA 3.32Å; N108-G127 WeakPolarHBondContact OD1-CA 2.95Å; G127-S129 PolarHBondContact O-N 3.21Å; G127-G130 PolarHBondContact N-O 3.17Å; G127-G130 VanDerWaalsContact N-O 3.12Å; G127-G130 PolarHBondContact O-N 3Å
128S89.4Confident92.6Very high130 Ų13086.1 Ų86.191%0.90947%0.469SS*.THydrogen-bonded Turntrans-61.9-28.2-179.454.60000113.5G130S128-G130 VanDerWaalsContact C-N 3.32Å
129S88.2Confident92.8Very high95 Ų9584 Ų8466%0.66446%0.455SS*.THydrogen-bonded Turntrans-82-6.117864.30000114.2G127G127-S129 PolarHBondContact O-N 3.21Å
130G90.8Very high92.8Very high34 Ų3481.1 Ų81.135%0.35145%0.446SS..EExtended strand (participates in β ladder)trans120.4-162.5-178.900000114.6G127 S128G127-G130 PolarHBondContact N-O 3.17Å; G127-G130 VanDerWaalsContact N-O 3.12Å; G127-G130 PolarHBondContact O-N 3Å; S128-G130 VanDerWaalsContact C-N 3.32Å
131F91.5Very high92.9Very high120 Ų12083.1 Ų83.153%0.52645%0.451SS..EExtended strand (participates in β ladder)trans-108.3131-173-178.8-96.9000111.1L124 A133 F138L124-F131 HydrophobicContact CD2-CZ 3.96Å; F131-A133 HydrophobicContact CE1-CB 4Å; F131-F138 AromaticContact CE1-CE2 3.85Å; F131-F138 HydrophobicContact CE1-CE2 3.85Å; F131-F138 AromaticContact CE1-CZ 3.91Å; F131-F138 HydrophobicContact CE1-CZ 3.91Å; F131-F138 HydrophobicContact CZ-CE2 4.26Å
132K92.8Very high92.9Very high138 Ų13880.6 Ų80.660%0.644%0.442SS*.EExtended strand (participates in β ladder)trans-127.1127.5178.3-63.3-179.2-178.7179.10109.5V125V125-K132 HydrophobicContact CB-CB 4.5Å; V125-K132 PolarHBondContact N-O 3.19Å; V125-K132 PolarHBondContact O-N 3.37Å
133A93.8Very high92.8Very high49 Ų4985.8 Ų85.841%0.40547%0.473SS..EExtended strand (participates in β ladder)trans-117134.7173.900000109.8Q123 L124 F131 F138Q123-A133 WeakPolarHBondContact O-CA 3.29Å; L124-A133 HydrophobicContact CD2-CB 3.6Å; F131-A133 HydrophobicContact CE1-CB 4Å; A133-F138 HydrophobicContact CB-CD2 3.92Å; A133-F138 HydrophobicContact CB-CE2 4.22Å; A133-F138 HydrophobicContact CB-CG 4.4Å
134R92.6Very high92.7Very high175 Ų17587.8 Ų87.866%0.6649%0.494SS*.EExtended strand (participates in β ladder)trans-129.1121.9172.1179.3-178.4179.8-178.40.9108.3T122 Q123T122-R134 CarbonylContact C-O 3.45Å; T122-R134 VanDerWaalsContact CA-O 3.28Å; T122-R134 WeakPolarHBondContact CA-O 3.38Å; T122-R134 WeakPolarHBondContact CG2-O 3.13Å; Q123-R134 HydrophobicContact CB-CB 4.36Å; Q123-R134 PolarHBondContact N-O 2.82Å; Q123-R134 PolarHBondContact O-N 2.83Å
135G92.3Very high92.6Very high43 Ų4387.2 Ų87.244%0.44350%0.502SS..SBendtrans179.3-178.3179.400000110.2
136K92.2Very high92.5Very high163 Ų16390 Ų9071%0.70951%0.512SS*.SBendtrans-75.6-27.9177.8-66.2-174.9175.3-173.40113.4D152K136-D152 WeakPolarHBondContact O-CA 3.29Å; K136-D152 WeakPolarHBondContact O-CB 3.49Å
137M93.4Very high92.5Very high90 Ų9089.3 Ų89.344%0.44351%0.505SS..EExtended strand (participates in β ladder)trans-149.5137.9-177179.851.4148.400109.5E139 A151 D152M137-E139 HydrophobicContact CE-CG 3.69Å; M137-E139 HydrophobicContact CG-CG 4.12Å; M137-E139 HydrophobicContact SD-CG 4.17Å; M137-A151 WeakPolarHBondContact CA-O 3.32Å; M137-A151 VanDerWaalsContact SD-O 3.38Å; M137-D152 HydrophobicContact SD-CB 3.82Å
138F94.2Very high92.6Very high68 Ų6891.3 Ų91.330%0.29851%0.51SS..EExtended strand (participates in β ladder)trans-129.5124171.8177.1-108000109F131 A133 V140 F149 S150 A151F131-F138 AromaticContact CE1-CE2 3.85Å; F131-F138 HydrophobicContact CE1-CE2 3.85Å; F131-F138 AromaticContact CE1-CZ 3.91Å; F131-F138 HydrophobicContact CE1-CZ 3.91Å; F131-F138 HydrophobicContact CZ-CE2 4.26Å; A133-F138 HydrophobicContact CB-CD2 3.92Å; A133-F138 HydrophobicContact CB-CE2 4.22Å; A133-F138 HydrophobicContact CB-CG 4.4Å; F138-V140 HydrophobicContact CD1-CG2 4.33Å; F138-V140 HydrophobicContact CE1-CG2 3.45Å; F138-V140 VanDerWaalsContact CE1-CG2 3.45Å; F138-V140 HydrophobicContact CZ-CG2 3.58Å; F138-F149 HydrophobicContact CD1-CD1 4.01Å; F138-F149 AromaticContact CD1-CE1 3.95Å; F138-F149 HydrophobicContact CD1-CE1 3.95Å; F138-F149 HydrophobicContact CE1-CD1 4.11Å; F138-F149 HydrophobicContact CE1-CE1 4.27Å; F138-S150 CarbonylContact O-C 3.53Å; F138-S150 WeakPolarHBondContact O-CA 3.46Å; F138-A151 PolarHBondContact N-O 3.33Å; F138-A151 PolarHBondContact O-N 3.21Å
139E94.3Very high92.9Very high91 Ų9188.6 Ų88.643%0.42548%0.482SS..EExtended strand (participates in β ladder)trans-124.2137.5179.3-67.4-167.8137.700111.2M137 K141 L147 F149M137-E139 HydrophobicContact CE-CG 3.69Å; M137-E139 HydrophobicContact CG-CG 4.12Å; M137-E139 HydrophobicContact SD-CG 4.17Å; E139-K141 IonicContact OE1-NZ 3.26Å; E139-K141 WeakPolarHBondContact OE2-CE 3.33Å; E139-K141 IonicContact OE2-NZ 3.61Å; E139-K141 PolarHBondContact OE2-NZ 2.88Å; E139-L147 HydrophobicContact CB-CD1 4.37Å; E139-L147 HydrophobicContact CG-CD1 4.41Å; E139-F149 CarbonylContact C-O 3.52Å
140V93.9Very high93.2Very high58 Ų5884.4 Ų84.435%0.35245%0.453SS..EExtended strand (participates in β ladder)trans-119117.9170-174.30000107.9F138 L148 F149F138-V140 HydrophobicContact CD1-CG2 4.33Å; F138-V140 HydrophobicContact CE1-CG2 3.45Å; F138-V140 VanDerWaalsContact CE1-CG2 3.45Å; F138-V140 HydrophobicContact CZ-CG2 3.58Å; V140-L148 WeakPolarHBondContact O-CB 3.22Å; V140-L148 PolarHBondContact O-N 2.99Å; V140-F149 HydrophobicContact CB-CB 4.17Å; V140-F149 HydrophobicContact CG2-CB 4.36Å; V140-F149 HydrophobicContact CG2-CD1 4.47Å; V140-F149 PolarHBondContact N-O 2.78Å; V140-F149 PolarHBondContact O-N 3.34Å
141K94.4Very high93.5Very high112 Ų11284 Ų8449%0.48745%0.446SS..EExtended strand (participates in β ladder)trans-113.2146.9177.5-67.2175.4-176.2162.30110.1E139 K146 L147E139-K141 IonicContact OE1-NZ 3.26Å; E139-K141 WeakPolarHBondContact OE2-CE 3.33Å; E139-K141 IonicContact OE2-NZ 3.61Å; E139-K141 PolarHBondContact OE2-NZ 2.88Å; K141-K146 CarbonylContact C-O 3.44Å; K141-K146 VanDerWaalsContact CA-O 3.28Å; K141-K146 WeakPolarHBondContact CA-O 3.35Å; K141-L147 HydrophobicContact CG-CD1 4.3Å
142S93Very high93.6Very high43 Ų4380.9 Ų80.930%0.30144%0.435SS..  trans-63164.6167.6-176.20000110.6S144 G145 K146S142-S144 PolarHBondContact O-N 3.49Å; S142-S144 VanDerWaalsContact O-N 3.15Å; S142-S144 PolarHBondContact OG-OG 3.4Å; S142-G145 WeakPolarHBondContact O-CA 3.48Å; S142-G145 PolarHBondContact O-N 2.83Å; S142-K146 PolarHBondContact N-O 3.12Å
143T92.4Very high93.6Very high155 Ų15581.8 Ų81.895%0.95144%0.441SS*.THydrogen-bonded Turntrans-59.1-23.5173.252.20000113G145T143-G145 VanDerWaalsContact C-N 3.32Å
144S93.3Very high93.5Very high98 Ų9886.7 Ų86.769%0.68546%0.455SS*.THydrogen-bonded Turntrans-83.3-2.6173.160.70000114.4S142S142-S144 PolarHBondContact O-N 3.49Å; S142-S144 VanDerWaalsContact O-N 3.15Å; S142-S144 PolarHBondContact OG-OG 3.4Å
145G92.1Very high93.4Very high47 Ų4784 Ų8449%0.48545%0.451SS..SBendtrans88.7-4.6-177.700000115.5S142 T143 L147S142-G145 WeakPolarHBondContact O-CA 3.48Å; S142-G145 PolarHBondContact O-N 2.83Å; T143-G145 VanDerWaalsContact C-N 3.32Å; G145-L147 PolarHBondContact O-N 3.38Å
146K93.6Very high93.4Very high89 Ų8986.4 Ų86.439%0.38746%0.456SS..  trans-63.2130.3175.9-179.6176.3176.2173.40110.9K141 S142 L148 E161K141-K146 CarbonylContact C-O 3.44Å; K141-K146 VanDerWaalsContact CA-O 3.28Å; K141-K146 WeakPolarHBondContact CA-O 3.35Å; S142-K146 PolarHBondContact N-O 3.12Å; K146-L148 PolarHBondContact O-N 2.87Å; K146-E161 IonicContact NZ-OE1 3.94Å; K146-E161 PolarHBondContact NZ-OE1 2.9Å
147L92.9Very high93.4Very high55 Ų5581 Ų8129%0.28844%0.437SS..EExtended strand (participates in β ladder)trans-65.8126174.3-176.268.1000110.5E139 K141 G145 G159E139-L147 HydrophobicContact CB-CD1 4.37Å; E139-L147 HydrophobicContact CG-CD1 4.41Å; K141-L147 HydrophobicContact CG-CD1 4.3Å; G145-L147 PolarHBondContact O-N 3.38Å; L147-G159 WeakPolarHBondContact O-CA 3.36Å
148L94.4Very high93.3Very high64 Ų6479.9 Ų79.934%0.33544%0.435SS..EExtended strand (participates in β ladder)trans-105.5-38.4177.1-61.1179.1000111.6V140 K146 G159V140-L148 WeakPolarHBondContact O-CB 3.22Å; V140-L148 PolarHBondContact O-N 2.99Å; K146-L148 PolarHBondContact O-N 2.87Å; L148-G159 PolarHBondContact O-N 3.15Å
149F94.9Very high93Very high74 Ų7477.9 Ų77.933%0.32543%0.434SS..EExtended strand (participates in β ladder)trans-152.2134.7179.3-179.1-90.6000109.4F138 E139 V140 A151 V156 V157 V158F138-F149 HydrophobicContact CD1-CD1 4.01Å; F138-F149 AromaticContact CD1-CE1 3.95Å; F138-F149 HydrophobicContact CD1-CE1 3.95Å; F138-F149 HydrophobicContact CE1-CD1 4.11Å; F138-F149 HydrophobicContact CE1-CE1 4.27Å; E139-F149 CarbonylContact C-O 3.52Å; V140-F149 HydrophobicContact CB-CB 4.17Å; V140-F149 HydrophobicContact CG2-CB 4.36Å; V140-F149 HydrophobicContact CG2-CD1 4.47Å; V140-F149 PolarHBondContact N-O 2.78Å; V140-F149 PolarHBondContact O-N 3.34Å; F149-A151 HydrophobicContact CE1-CB 3.82Å; F149-A151 HydrophobicContact CZ-CB 4.09Å; F149-V156 HydrophobicContact CD2-CG1 4.45Å; F149-V156 HydrophobicContact CE2-CG1 3.56Å; F149-V156 HydrophobicContact CZ-CG1 3.69Å; F149-V157 CarbonylContact C-O 3.6Å; F149-V157 WeakPolarHBondContact CA-O 3.31Å; F149-V158 HydrophobicContact CD2-CG2 4.22Å; F149-V158 HydrophobicContact CE2-CG2 4.48Å
150S95.5Very high92.5Very high7 Ų775.8 Ų75.85%0.04943%0.432CS..EExtended strand (participates in β ladder)trans-135.1149.9163.358.90000111.4F138 V156 V157F138-S150 CarbonylContact O-C 3.53Å; F138-S150 WeakPolarHBondContact O-CA 3.46Å; S150-V156 CarbonylContact O-C 3.6Å; S150-V156 WeakPolarHBondContact O-CA 3.37Å; S150-V157 PolarHBondContact N-O 2.98Å; S150-V157 PolarHBondContact O-N 3.48Å; S150-V157 WeakPolarHBondContact OG-CB 3.46Å
151A95.4Very high91.9Very high26 Ų2681 Ų8122%0.21545%0.453CS..EExtended strand (participates in β ladder)trans-143.3128.6173.400000110.2M137 F138 F149 V156M137-A151 WeakPolarHBondContact CA-O 3.32Å; M137-A151 VanDerWaalsContact SD-O 3.38Å; F138-A151 PolarHBondContact N-O 3.33Å; F138-A151 PolarHBondContact O-N 3.21Å; F149-A151 HydrophobicContact CE1-CB 3.82Å; F149-A151 HydrophobicContact CZ-CB 4.09Å; A151-V156 HydrophobicContact CB-CG1 4.47Å; A151-V156 HydrophobicContact CB-CG2 3.99Å
152D94.6Very high91.3Very high53 Ų5385.7 Ų85.728%0.28347%0.467SS..EExtended strand (participates in β ladder)trans-130.8-163.2171.359.334.4000110.9K136 M137 Q154 E155K136-D152 WeakPolarHBondContact O-CA 3.29Å; K136-D152 WeakPolarHBondContact O-CB 3.49Å; M137-D152 HydrophobicContact SD-CB 3.82Å; D152-Q154 VanDerWaalsContact C-N 3.28Å; D152-Q154 VanDerWaalsContact CG-OE1 3.29Å; D152-Q154 WeakPolarHBondContact OD1-CA 3.48Å; D152-Q154 WeakPolarHBondContact OD1-CB 3.28Å; D152-Q154 PolarHBondContact OD1-N 2.83Å; D152-Q154 PolarHBondContact OD1-OE1 2.93Å; D152-Q154 VanDerWaalsContact OD1-OE1 3.13Å; D152-E155 PolarHBondContact N-O 2.88Å; D152-E155 VanDerWaalsContact N-O 3.08Å; D152-E155 PolarHBondContact OD1-N 3.06Å
153E92.7Very high90.9Very high158 Ų15889.6 Ų89.674%0.73848%0.484SS*.SBendtrans-74.7-18.4-179.9-67.1-178.8178.500112.9
154Q91.8Very high90.4Very high151 Ų15191.2 Ų91.271%0.70647%0.472SS*.SBendtrans-101-44.7-172.2-64.57812.900111.7D152D152-Q154 VanDerWaalsContact C-N 3.28Å; D152-Q154 VanDerWaalsContact CG-OE1 3.29Å; D152-Q154 WeakPolarHBondContact OD1-CA 3.48Å; D152-Q154 WeakPolarHBondContact OD1-CB 3.28Å; D152-Q154 PolarHBondContact OD1-N 2.83Å; D152-Q154 PolarHBondContact OD1-OE1 2.93Å; D152-Q154 VanDerWaalsContact OD1-OE1 3.13Å
155E90.6Very high90Very high120 Ų12090.5 Ų90.556%0.56146%0.464SS*.  trans-150.3165.1-173.165.1177.7-17300114.2D152 V157D152-E155 PolarHBondContact N-O 2.88Å; D152-E155 VanDerWaalsContact N-O 3.08Å; D152-E155 PolarHBondContact OD1-N 3.06Å; E155-V157 HydrophobicContact CG-CG2 4.04Å
156V91.7Very high89.3Confident93 Ų9396.3 Ų96.356%0.56448%0.48SS*.EExtended strand (participates in β ladder)trans-122.9119.4169.9178.60000107.4F149 S150 A151F149-V156 HydrophobicContact CD2-CG1 4.45Å; F149-V156 HydrophobicContact CE2-CG1 3.56Å; F149-V156 HydrophobicContact CZ-CG1 3.69Å; S150-V156 CarbonylContact O-C 3.6Å; S150-V156 WeakPolarHBondContact O-CA 3.37Å; A151-V156 HydrophobicContact CB-CG1 4.47Å; A151-V156 HydrophobicContact CB-CG2 3.99Å
157V91.8Very high88.6Confident48 Ų4894.2 Ų94.229%0.29148%0.484SS..EExtended strand (participates in β ladder)trans-107.7127.8-178.9-1730000109.3F149 S150 E155F149-V157 CarbonylContact C-O 3.6Å; F149-V157 WeakPolarHBondContact CA-O 3.31Å; S150-V157 PolarHBondContact N-O 2.98Å; S150-V157 PolarHBondContact O-N 3.48Å; S150-V157 WeakPolarHBondContact OG-CB 3.46Å; E155-V157 HydrophobicContact CG-CG2 4.04Å
158V92.3Very high87.9Confident67 Ų6796.7 Ų96.741%0.40651%0.512SS..EExtended strand (participates in β ladder)trans-110104.7174.1-176.20000108.5F149 A160 L163F149-V158 HydrophobicContact CD2-CG2 4.22Å; F149-V158 HydrophobicContact CE2-CG2 4.48Å; V158-A160 VanDerWaalsContact C-N 3.34Å; V158-A160 HydrophobicContact CG1-CB 4.12Å; V158-L163 HydrophobicContact CG1-CD1 4.31Å
159G87.1Confident87.3Confident27 Ų27102.1 Ų102.128%0.27854%0.536SS..  trans-90.811.2-178.300000114.7L147 L148L147-G159 WeakPolarHBondContact O-CA 3.36Å; L148-G159 PolarHBondContact O-N 3.15Å
160A84.3Confident86.7Confident46 Ų46100.6 Ų100.638%0.3854%0.541SS..  trans-70.4142.1177.700000111.3V158 R162V158-A160 VanDerWaalsContact C-N 3.34Å; V158-A160 HydrophobicContact CG1-CB 4.12Å; A160-R162 PolarHBondContact O-N 3.47Å
161E82.2Confident86.3Confident169 Ų169102.5 Ų102.579%0.7956%0.558SS**SBendtrans-66.9-26178.5-69.2174.2-165.700113.2K146K146-E161 IonicContact NZ-OE1 3.94Å; K146-E161 PolarHBondContact NZ-OE1 2.9Å
162R81.6Confident85.8Confident209 Ų209108 Ų10879%0.78959%0.588SS**  trans-138.6119.7177.1-67.8-176.3179.4172.3-0.5109.2A160A160-R162 PolarHBondContact O-N 3.47Å
163L84.3Confident85.3Confident125 Ų125112 Ų11265%0.65460%0.603SS**  trans-101.7122.4168.9-179.160.6000108.8V158V158-L163 HydrophobicContact CG1-CD1 4.31Å
164R81.7Confident84.8Confident189 Ų189110.3 Ų110.371%0.71361%0.609SS**  trans-113.1124.1173.5-71.7-176.3174.5174.3-2.8109.3M166R164-M166 HydrophobicContact CB-CG 4.48Å
165V84.4Confident84.6Confident83 Ų83111.7 Ų111.750%0.50361%0.613SS.*  trans-99.6107.7173.4-176.80000107.8A171V165-A171 HydrophobicContact CG1-CB 3.91Å; V165-A171 HydrophobicContact CG2-CB 4.31Å
166M77.9Confident84.4Confident169 Ų169111.1 Ų111.183%0.83362%0.622SS**  trans-104.914.4-177.6-55-138.6-53.300113.7R164R164-M166 HydrophobicContact CB-CG 4.48Å
167G78.7Confident84.3Confident45 Ų45110.8 Ų110.846%0.46462%0.62SS.*  trans-61.9140.6174.200000110.5E169 G170G167-E169 PolarHBondContact O-N 2.95Å; G167-G170 PolarHBondContact O-N 3.43Å
168A78.3Confident84.2Confident107 Ų107117.4 Ų117.488%0.88465%0.648SS**THydrogen-bonded Turntrans-56.6-33178.700000112.5
169E81.3Confident84.1Confident179 Ų179117.9 Ų117.984%0.83665%0.65SS**THydrogen-bonded Turntrans-92.95.4176.8-57.1-58.6142.400113.3G167G167-E169 PolarHBondContact O-N 2.95Å
170G83.5Confident84.3Confident42 Ų42123.3 Ų123.343%0.43368%0.681SS.*  trans68.5-142.8-175.900000113.7G167G167-G170 PolarHBondContact O-N 3.43Å
171A86.1Confident84.6Confident47 Ų47127.2 Ų127.239%0.38869%0.691SS.*  trans-121.6135.9174.500000110V165 F173V165-A171 HydrophobicContact CG1-CB 3.91Å; V165-A171 HydrophobicContact CG2-CB 4.31Å; A171-F173 HydrophobicContact CB-CD2 4.43Å; A171-F173 HydrophobicContact CB-CE1 4.49Å; A171-F173 HydrophobicContact CB-CE2 3.65Å; A171-F173 HydrophobicContact CB-CZ 3.68Å
172V84.7Confident85.1Confident140 Ų140123.2 Ų123.285%0.84868%0.678SS**  trans-101.7121.5172.7-178.90000108.6
173F84.3Confident85.6Confident138 Ų138122.8 Ų122.861%0.60568%0.677SS**  trans-104.2117.1175.3-56.9-85.7000108.6A171 K175 V177A171-F173 HydrophobicContact CB-CD2 4.43Å; A171-F173 HydrophobicContact CB-CE1 4.49Å; A171-F173 HydrophobicContact CB-CE2 3.65Å; A171-F173 HydrophobicContact CB-CZ 3.68Å; F173-K175 VanDerWaalsContact C-N 3.26Å; F173-K175 PolarHBondContact O-N 3.32Å; F173-V177 HydrophobicContact CB-CG2 3.63Å; F173-V177 HydrophobicContact CD1-CG2 3.45Å; F173-V177 VanDerWaalsContact CD1-CG2 3.45Å; F173-V177 HydrophobicContact CD2-CG2 3.76Å; F173-V177 HydrophobicContact CE1-CG2 3.99Å; F173-V177 HydrophobicContact CE2-CG2 4.26Å; F173-V177 HydrophobicContact CG-CG2 3.31Å; F173-V177 HydrophobicContact CZ-CG2 4.36Å
174S82.6Confident85.9Confident123 Ų123118.4 Ų118.486%0.8666%0.658SS**SBendtrans-76.8-14.5-179.155.60000113.6
175K87.2Confident86.2Confident180 Ų180114.7 Ų114.778%0.78365%0.649SS**SBendtrans-129.3-169179.9-64.9-174.7178.8-1800109.5F173F173-K175 VanDerWaalsContact C-N 3.26Å; F173-K175 PolarHBondContact O-N 3.32Å
176S87.2Confident86.3Confident108 Ų108115.9 Ų115.976%0.75566%0.659SS**  trans-66.6144.2175.9-510000112.4
177V89.4Confident86.7Confident86 Ų86118.4 Ų118.452%0.52167%0.665SS.*  trans-110.4121.7166.51790000107.3F173F173-V177 HydrophobicContact CB-CG2 3.63Å; F173-V177 HydrophobicContact CD1-CG2 3.45Å; F173-V177 VanDerWaalsContact CD1-CG2 3.45Å; F173-V177 HydrophobicContact CD2-CG2 3.76Å; F173-V177 HydrophobicContact CE1-CG2 3.99Å; F173-V177 HydrophobicContact CE2-CG2 4.26Å; F173-V177 HydrophobicContact CG-CG2 3.31Å; F173-V177 HydrophobicContact CZ-CG2 4.36Å
178E89.2Confident87.2Confident187 Ų187122.7 Ų122.787%0.87467%0.671SS**  trans-101124.7177.9-66.2-179.1-169.600109.5
179T90.8Very high87.7Confident76 Ų76124.8 Ų124.847%0.46666%0.662SS.*  trans-147.2140.9176.61760000109.8H181 V182T179-H181 PolarHBondContact O-N 3.4Å; T179-H181 PolarHBondContact OG1-N 2.92Å; T179-H181 PolarHBondContact OG1-O 3.39Å; T179-V182 HydrophobicContact CG2-CG2 3.54Å
180P90.1Very high88.2Confident142 Ų142120.4 Ų120.492%0.92265%0.645SS**SBendtrans-68.4-21.8176.528.3-36.1000112.8
181H91.8Very high88.5Confident127 Ų127126.2 Ų126.259%0.58865%0.653SS**  trans-152.1140.6-176.8-168.565.8000111.9T179T179-H181 PolarHBondContact O-N 3.4Å; T179-H181 PolarHBondContact OG1-N 2.92Å; T179-H181 PolarHBondContact OG1-O 3.39Å
182V92.9Very high88.8Confident86 Ų86128.9 Ų128.952%0.52166%0.66SS.*  trans-121.4122.6173.4-176.80000107.6T179 L190T179-V182 HydrophobicContact CG2-CG2 3.54Å; V182-L190 HydrophobicContact CG1-CD1 3.95Å; V182-L190 HydrophobicContact CG1-CD2 4.12Å
183R91.9Very high89.1Confident200 Ų200127.4 Ų127.476%0.75564%0.644SS**  trans-142.4151.5177.364.5177.7-175.7-177.10.3111
184A91.1Very high89.3Confident33 Ų33123 Ų12327%0.27363%0.63SS.*PPolyproline II helixtrans-77.4167.716700000111.9K188 L190A184-K188 VanDerWaalsContact CB-O 3.27Å; A184-K188 WeakPolarHBondContact CB-O 3.38Å; A184-L190 HydrophobicContact CB-CB 3.8Å
185E86.4Confident89.4Confident111 Ų111122.4 Ų122.452%0.51962%0.624SS.*PPolyproline II helixtrans-68.2155.6168.7-62.2-174.9152.900110.8F187 K188E185-F187 PolarHBondContact O-N 2.83Å; E185-K188 HydrophobicContact CB-CB 4.35Å; E185-K188 HydrophobicContact CB-CD 4.09Å; E185-K188 HydrophobicContact CB-CG 4.29Å; E185-K188 PolarHBondContact O-N 3.16Å; E185-K188 WeakPolarHBondContact OE2-CD 3.46Å; E185-K188 VanDerWaalsContact OE2-CE 3.26Å; E185-K188 WeakPolarHBondContact OE2-CE 3.31Å; E185-K188 IonicContact OE2-NZ 2.69Å; E185-K188 PolarHBondContact OE2-NZ 2.95Å
186P86.3Confident89.5Confident108 Ų108119.8 Ų119.870%0.70162%0.623SS**THydrogen-bonded Turntrans-51.5135.5173.6-25.734.7000111.3K188P186-K188 PolarHBondContact O-N 3.2Å
187F86.8Confident89.6Confident221 Ų221125.2 Ų125.297%0.96963%0.627SS**THydrogen-bonded Turntrans64.212.1-178.7-43.7-78.1000115.4E185E185-F187 PolarHBondContact O-N 2.83Å
188K89.3Confident89.6Confident135 Ų135125.7 Ų125.759%0.58763%0.634SS**SBendtrans-114.2147.8170.1-63.3-168.2-177.4167.30110.4A184 E185 P186A184-K188 VanDerWaalsContact CB-O 3.27Å; A184-K188 WeakPolarHBondContact CB-O 3.38Å; E185-K188 HydrophobicContact CB-CB 4.35Å; E185-K188 HydrophobicContact CB-CD 4.09Å; E185-K188 HydrophobicContact CB-CG 4.29Å; E185-K188 PolarHBondContact O-N 3.16Å; E185-K188 WeakPolarHBondContact OE2-CD 3.46Å; E185-K188 VanDerWaalsContact OE2-CE 3.26Å; E185-K188 WeakPolarHBondContact OE2-CE 3.31Å; E185-K188 IonicContact OE2-NZ 2.69Å; E185-K188 PolarHBondContact OE2-NZ 2.95Å; P186-K188 PolarHBondContact O-N 3.2Å
189E88.3Confident89.8Confident151 Ų151121.4 Ų121.471%0.70662%0.617SS**  trans-76.314417461.6179.1-164.800111.5R191E189-R191 PolarHBondContact O-N 2.95Å
190L92.1Very high89.9Confident88 Ų88124.6 Ų124.646%0.46163%0.63SS.*  trans-86.7103.9166.4178.661.9000108V182 A184 L192V182-L190 HydrophobicContact CG1-CD1 3.95Å; V182-L190 HydrophobicContact CG1-CD2 4.12Å; A184-L190 HydrophobicContact CB-CB 3.8Å; L190-L192 HydrophobicContact CD1-CD2 4.28Å; L190-L192 HydrophobicContact CG-CD2 4.47Å; L190-L192 HydrophobicContact CG-CG 4.4Å
191R91Very high90Very high163 Ų163122.8 Ų122.862%0.61561%0.611SS**  trans-99.4115.9178.2-173.6169.1168.9-179.3-7.5110.2E189 E193E189-R191 PolarHBondContact O-N 2.95Å; R191-E193 HydrophobicContact CG-CB 4.42Å; R191-E193 HydrophobicContact CG-CG 4.47Å; R191-E193 IonicContact CZ-OE1 3.91Å; R191-E193 IonicContact CZ-OE2 3.38Å; R191-E193 VanDerWaalsContact NE-CD 3.25Å; R191-E193 IonicContact NE-OE1 3.58Å; R191-E193 IonicContact NE-OE2 2.73Å; R191-E193 PolarHBondContact NE-OE2 2.88Å; R191-E193 IonicContact NH2-OE1 3.51Å; R191-E193 PolarHBondContact NH2-OE1 3.14Å; R191-E193 IonicContact NH2-OE2 2.81Å; R191-E193 PolarHBondContact NH2-OE2 2.88Å
192L92.3Very high90Very high103 Ų103124.7 Ų124.754%0.53962%0.62SS.*  trans-109.3111.7169.9-56.4178.9000107.5L190 L199L190-L192 HydrophobicContact CD1-CD2 4.28Å; L190-L192 HydrophobicContact CG-CD2 4.47Å; L190-L192 HydrophobicContact CG-CG 4.4Å; L192-L199 HydrophobicContact CB-CD1 3.69Å
193E90.4Very high89.9Confident109 Ų109122.6 Ų122.651%0.50961%0.611SS.*  trans-135.6151.6-174.468.6176.8171.100113.7R191 P195R191-E193 HydrophobicContact CG-CB 4.42Å; R191-E193 HydrophobicContact CG-CG 4.47Å; R191-E193 IonicContact CZ-OE1 3.91Å; R191-E193 IonicContact CZ-OE2 3.38Å; R191-E193 VanDerWaalsContact NE-CD 3.25Å; R191-E193 IonicContact NE-OE1 3.58Å; R191-E193 IonicContact NE-OE2 2.73Å; R191-E193 PolarHBondContact NE-OE2 2.88Å; R191-E193 IonicContact NH2-OE1 3.51Å; R191-E193 PolarHBondContact NH2-OE1 3.14Å; R191-E193 IonicContact NH2-OE2 2.81Å; R191-E193 PolarHBondContact NH2-OE2 2.88Å; E193-P195 HydrophobicContact CG-CG 4.41Å
194S89.1Confident89.8Confident45 Ų45120 Ų12032%0.31562%0.62SS.*  trans-133.590.9172.3-1750000108.5T196 S198S194-T196 PolarHBondContact O-N 3.3Å; S194-S198 VanDerWaalsContact CB-C 3.45Å; S194-S198 WeakPolarHBondContact CB-O 3.21Å; S194-S198 PolarHBondContact OG-N 3.48Å; S194-S198 PolarHBondContact OG-O 3.38Å
195P85.1Confident89.7Confident111 Ų111128.6 Ų128.672%0.72165%0.652SS**SBendtrans-65.7-24.6-174.1-24.434.8000114.3E193E193-P195 HydrophobicContact CG-CG 4.41Å
196T88.1Confident89.8Confident125 Ų125125.8 Ų125.877%0.76765%0.652SS**SBendtrans-113.4-18.2-169.656.70000114.4S194S194-T196 PolarHBondContact O-N 3.3Å
197R89.3Confident90.1Very high223 Ų223124.4 Ų124.484%0.84264%0.639SS**SBendtrans-138.2-124.7-172.8-63.6-175.5-179177.30.4109.8
198S90.7Very high90.4Very high96 Ų96121.3 Ų121.367%0.67163%0.627SS**  trans-128.8159-179.654.10000110S194S194-S198 VanDerWaalsContact CB-C 3.45Å; S194-S198 WeakPolarHBondContact CB-O 3.21Å; S194-S198 PolarHBondContact OG-N 3.48Å; S194-S198 PolarHBondContact OG-O 3.38Å
199L92.4Very high90.6Very high97 Ų97120.7 Ų120.751%0.50863%0.629SS.*  trans-109.4120.7165.8-174.5132.8000107L192L192-L199 HydrophobicContact CB-CD1 3.69Å
200L92.3Very high90.8Very high143 Ų143119.3 Ų119.375%0.74963%0.626SS**  trans-109.5126.1178.7177.464.8000108.7
201M91.8Very high90.7Very high104 Ų104117.3 Ų117.351%0.51262%0.622SS.*  trans-115.9125.7169.6-170.5179.7-73.800107.1I207M201-I207 HydrophobicContact CB-CD1 3.93Å; M201-I207 HydrophobicContact CG-CD1 3.65Å; M201-I207 HydrophobicContact CG-CG1 4.17Å; M201-I207 HydrophobicContact CG-CG2 4.4Å; M201-I207 WeakPolarHBondContact O-CD1 3.19Å; M201-I207 HydrophobicContact SD-CD1 4.2Å; M201-I207 HydrophobicContact SD-CG1 4.38Å; M201-I207 HydrophobicContact SD-CG2 3.54Å; M201-I207 VanDerWaalsContact SD-CG2 3.54Å
202E91.9Very high90.5Very high167 Ų167119.1 Ų119.178%0.7864%0.637SS**  trans-136138.2-179.1-173.5173.7-172.500108.8
203A91.8Very high90.1Very high41 Ų41118.7 Ų118.734%0.33965%0.648SS.*  trans-145.4134.5-179.800000111K205 G206 I207A203-K205 VanDerWaalsContact C-N 3.28Å; A203-K205 PolarHBondContact O-N 3.45Å; A203-G206 VanDerWaalsContact CB-O 3.22Å; A203-G206 WeakPolarHBondContact CB-O 3.45Å; A203-G206 PolarHBondContact O-N 2.86Å; A203-G206 VanDerWaalsContact O-N 3.12Å; A203-I207 HydrophobicContact CB-CG1 3.72Å
204P89.3Confident89.9Confident146 Ų146116.9 Ų116.995%0.94866%0.659SS**THydrogen-bonded Turntrans-61.8-32.3-177.9-23.732.4000114.4
205K89.4Confident89.9Confident213 Ų213121 Ų12193%0.92668%0.677SS**THydrogen-bonded Turntrans-987.7180-66.5-170.8177.3-176.40113.2A203A203-K205 VanDerWaalsContact C-N 3.28Å; A203-K205 PolarHBondContact O-N 3.45Å
206G88.6Confident90.2Very high52 Ų52120.8 Ų120.854%0.53667%0.669SS.*  trans90.5167.6-171.500000113.3A203A203-G206 VanDerWaalsContact CB-O 3.22Å; A203-G206 WeakPolarHBondContact CB-O 3.45Å; A203-G206 PolarHBondContact O-N 2.86Å; A203-G206 VanDerWaalsContact O-N 3.12Å
207I93.1Very high90.4Very high80 Ų80121.7 Ų121.741%0.4167%0.665SS.*  trans-112.6126.2-177.8-62.3162.8000107.6M201 A203 I209M201-I207 HydrophobicContact CB-CD1 3.93Å; M201-I207 HydrophobicContact CG-CD1 3.65Å; M201-I207 HydrophobicContact CG-CG1 4.17Å; M201-I207 HydrophobicContact CG-CG2 4.4Å; M201-I207 WeakPolarHBondContact O-CD1 3.19Å; M201-I207 HydrophobicContact SD-CD1 4.2Å; M201-I207 HydrophobicContact SD-CG1 4.38Å; M201-I207 HydrophobicContact SD-CG2 3.54Å; M201-I207 VanDerWaalsContact SD-CG2 3.54Å; A203-I207 HydrophobicContact CB-CG1 3.72Å; I207-I209 HydrophobicContact CG2-CG1 4.07Å
208Q93.3Very high90.5Very high156 Ų156114.5 Ų114.573%0.72965%0.653SS**  trans-110.7120.2174.7-159.4-17611.800109.1L210Q208-L210 HydrophobicContact CG-CD1 4.09Å; Q208-L210 HydrophobicContact CG-CD2 4.22Å; Q208-L210 HydrophobicContact CG-CG 3.89Å
209I92.5Very high90.5Very high122 Ų122116.3 Ų116.363%0.62665%0.654SS**  trans-106.9114174.9-53176.9000106.9I207 I216I207-I209 HydrophobicContact CG2-CG1 4.07Å; I209-I216 HydrophobicContact CG2-CD1 3.97Å
210L91.8Very high90.4Very high122 Ų122114.8 Ų114.864%0.63965%0.65SS**  trans-123137.4-177.3-65.9166.2000109.6Q208Q208-L210 HydrophobicContact CG-CD1 4.09Å; Q208-L210 HydrophobicContact CG-CD2 4.22Å; Q208-L210 HydrophobicContact CG-CG 3.89Å
211A90.4Very high90.2Very high45 Ų45120.3 Ų120.337%0.37266%0.661SS.*  trans-118.997.2166.700000108.2A213 I216A211-A213 PolarHBondContact O-N 3.38Å; A211-I216 HydrophobicContact CB-CD1 4.2Å; A211-I216 HydrophobicContact CB-CG1 3.67Å
212E87.5Confident89.9Confident202 Ų202123 Ų12394%0.94468%0.678SS**SBendtrans-62.7-33.4178-68.7-174.2166.200111.9
213A84.1Confident89.7Confident93 Ų93121.4 Ų121.477%0.76967%0.67SS**SBendtrans-135.6133.1173.100000109.1A211A211-A213 PolarHBondContact O-N 3.38Å
214G86.4Confident89.7Confident72 Ų72124.3 Ų124.374%0.74268%0.679SS**SBendtrans99.9-162.6-178.400000113.4
215D89.3Confident89.8Confident130 Ų130125.2 Ų125.270%0.69566%0.664SS**  trans-118152.6-178.760.4-37.6000112
216I90.9Very high89.9Confident107 Ų107120.3 Ų120.355%0.54965%0.647SS.*  trans-97.1114.4166.8-61.2172000106.7I209 A211I209-I216 HydrophobicContact CG2-CD1 3.97Å; A211-I216 HydrophobicContact CB-CD1 4.2Å; A211-I216 HydrophobicContact CB-CG1 3.67Å
217Q91.7Very high90Very high144 Ų144123.2 Ų123.267%0.67365%0.647SS**  trans-108.8120.6177.3-162.9-178.630.900110.5I219Q217-I219 HydrophobicContact CG-CD1 4.18Å; Q217-I219 HydrophobicContact CG-CG1 3.86Å
218A91.7Very high89.9Confident72 Ų72121.9 Ų121.960%0.59565%0.645SS**  trans-109.4117.4170.100000109.2
219I91.1Very high89.7Confident135 Ų135123 Ų12369%0.69265%0.647SS**  trans-118.5124.9178.7-50.4176.9000108.5Q217Q217-I219 HydrophobicContact CG-CD1 4.18Å; Q217-I219 HydrophobicContact CG-CG1 3.86Å
220C89.1Confident89.5Confident64 Ų64125.4 Ų125.443%0.43266%0.661SS.*  trans-123.1139.7177.5-58.40000109.7E223 L224C220-E223 WeakPolarHBondContact CB-O 3.28Å; C220-L224 HydrophobicContact CB-CB 4.2Å
221R88.6Confident89.2Confident260 Ų260122.2 Ų122.298%0.98166%0.659SS**SBendtrans-77.6-37.3178.2-176.9177.6174.1-175.1-1.4112.7
222N86.7Confident89.1Confident160 Ų160128.1 Ų128.186%0.85668%0.678SS**SBendtrans-114.3-64.4-172.8-161.351.2000111.8
223E87.1Confident89.2Confident134 Ų134122.8 Ų122.863%0.62666%0.655SS**  trans-142.2140.5-175.4-172.9-178.1173.900109.9C220C220-E223 WeakPolarHBondContact CB-O 3.28Å
224L91.3Very high89.5Confident101 Ų101122 Ų12253%0.52965%0.649SS.*  trans-112.1112164175.365.5000107C220C220-L224 HydrophobicContact CB-CB 4.2Å
225R90.6Very high89.8Confident165 Ų165124.1 Ų124.162%0.62364%0.642SS**  trans-106.3117.5178.5-179.1172.8169.5153.7-1.5109.8E227R225-E227 IonicContact CZ-OE2 2.63Å; R225-E227 IonicContact NE-OE2 3.1Å; R225-E227 PolarHBondContact NE-OE2 2.87Å; R225-E227 VanDerWaalsContact NH2-CD 3.3Å; R225-E227 IonicContact NH2-OE1 2.61Å; R225-E227 PolarHBondContact NH2-OE1 3.27Å; R225-E227 IonicContact NH2-OE2 2.73Å; R225-E227 PolarHBondContact NH2-OE2 3.41Å
226L91.9Very high89.8Confident110 Ų110125.7 Ų125.758%0.57665%0.651SS**  trans-104.3121.7168.1-58.6176.2000107.2I233L226-I233 HydrophobicContact CB-CD1 3.92Å; L226-I233 VanDerWaalsContact O-CD1 3.28Å; L226-I233 WeakPolarHBondContact O-CD1 3.29Å
227E91.8Very high89.8Confident113 Ų113123.4 Ų123.453%0.52865%0.648SS.*  trans-135.4132.2-175.4-179.5176.1-179.100110.2R225R225-E227 IonicContact CZ-OE2 2.63Å; R225-E227 IonicContact NE-OE2 3.1Å; R225-E227 PolarHBondContact NE-OE2 2.87Å; R225-E227 VanDerWaalsContact NH2-CD 3.3Å; R225-E227 IonicContact NH2-OE1 2.61Å; R225-E227 PolarHBondContact NH2-OE1 3.27Å; R225-E227 IonicContact NH2-OE2 2.73Å; R225-E227 PolarHBondContact NH2-OE2 3.41Å
228S89.7Confident89.4Confident53 Ų53125.9 Ų125.937%0.37166%0.66SS.*  trans-117.9123.7171.3-167.70000108.2G231 E232S228-G231 WeakPolarHBondContact OG-CA 3.27Å; S228-G231 PolarHBondContact OG-N 2.83Å; S228-G231 PolarHBondContact OG-O 2.88Å; S228-E232 PolarHBondContact OG-N 2.89Å
229K89.7Confident88.8Confident178 Ų178130.9 Ų130.977%0.77466%0.663SS**SBendtrans-82.8-44.1-177-71.7-174.9177.1-179.30112.7
230D88.1Confident88.6Confident173 Ų173128.9 Ų128.993%0.92565%0.653SS**SBendtrans-125.924.2-173.4-67.4-42.7000112
231G85.9Confident88Confident56 Ų56133.6 Ų133.658%0.57766%0.662SS**SBendtrans-158.4-155.7-17700000112.9S228S228-G231 WeakPolarHBondContact OG-CA 3.27Å; S228-G231 PolarHBondContact OG-N 2.83Å; S228-G231 PolarHBondContact OG-O 2.88Å
232E87.4Confident87.7Confident169 Ų169126.7 Ų126.779%0.7964%0.643SS**  trans-117.8162.5-179.363.3-176.7-164.400111.7S228S228-E232 PolarHBondContact OG-N 2.89Å
233I90.8Very high86.9Confident90 Ų90126 Ų12646%0.46264%0.637SS.*  trans-109.3106.3170.2-58.8173.5000106.4L226L226-I233 HydrophobicContact CB-CD1 3.92Å; L226-I233 VanDerWaalsContact O-CD1 3.28Å; L226-I233 WeakPolarHBondContact O-CD1 3.29Å
234A90.8Very high86Confident77 Ų77131.1 Ų131.164%0.63665%0.651SS**  trans-97.3125.3177.700000110.5
235L91.4Very high84.7Confident115 Ų115129.6 Ų129.660%0.60264%0.643SS**  trans-110.3100.8169.4-59.6177.7000107.1I240L235-I240 HydrophobicContact CB-CD1 3.65Å; L235-I240 VanDerWaalsContact O-CD1 3.25Å; L235-I240 WeakPolarHBondContact O-CD1 3.46Å
236D90.5Very high82.9Confident163 Ų163126.9 Ų126.987%0.87265%0.646SS**  trans-105.4106.4179.1-174.87.8000110
237A89.3Confident80.9Confident59 Ų59130.3 Ų130.349%0.48866%0.659SS.*  trans-156.6151.6176.900000110.6R239 I240A237-R239 PolarHBondContact O-N 3.27Å; A237-R239 VanDerWaalsContact O-N 3.15Å; A237-I240 HydrophobicContact CB-CG1 4.11Å
238Q84.8Confident78.9Confident197 Ų197126.5 Ų126.592%0.92165%0.65SS**SBendtrans-57.5-32.3175.7-168.3-176.321.200112.4
239R79Confident76.9Confident177 Ų177133.1 Ų133.167%0.66867%0.672SS**  trans-143.8110.4-178.7-58.9-176.476161.44.3110.5A237 R241A237-R239 PolarHBondContact O-N 3.27Å; A237-R239 VanDerWaalsContact O-N 3.15Å; R239-R241 VanDerWaalsContact CZ-NH2 3.3Å
240I85.5Confident75Confident92 Ų92128.4 Ų128.447%0.47267%0.667SS.*  trans-99.9126.6169.5-59.1167.6000107.9L235 A237L235-I240 HydrophobicContact CB-CD1 3.65Å; L235-I240 VanDerWaalsContact O-CD1 3.25Å; L235-I240 WeakPolarHBondContact O-CD1 3.46Å; A237-I240 HydrophobicContact CB-CG1 4.11Å
241R77Confident72.9Confident164 Ų164123.2 Ų123.262%0.61964%0.644SS**  trans-120.2113.7-179.6-67.8-177.2179.3160.2-1.3110R239 M243R239-R241 VanDerWaalsContact CZ-NH2 3.3Å; R241-M243 HydrophobicContact CB-CG 4.48Å; R241-M243 HydrophobicContact CB-SD 4.3Å
242L82.3Confident70.9Confident114 Ų114126.7 Ų126.760%0.59766%0.659SS**  trans-99.994.2168.8-63171.6000107.5L245L242-L245 HydrophobicContact CB-CD1 3.45Å; L242-L245 VanDerWaalsContact CB-CD1 3.45Å; L242-L245 HydrophobicContact CB-CD2 3.95Å; L242-L245 HydrophobicContact CB-CG 3.63Å; L242-L245 HydrophobicContact CD1-CD1 3.97Å; L242-L245 HydrophobicContact CG-CD1 4.37Å
243M70Confident68.7Low147 Ų147123.2 Ų123.272%0.72465%0.653SS**THydrogen-bonded Turntrans-78.2141.9-175.4-60.8-65.3-70.700110.5R241 L245R241-M243 HydrophobicContact CB-CG 4.48Å; R241-M243 HydrophobicContact CB-SD 4.3Å; M243-L245 PolarHBondContact O-N 3.48Å
244R68.8Low66.3Low241 Ų241123.8 Ų123.891%0.90967%0.665SS**THydrogen-bonded Turntrans59.233.4177.8-54178-69.3167.5-2.2113.4
245L63.2Low64.1Low69 Ų69125 Ų12536%0.36167%0.67SS.*  trans-58.9131.8162.9-70.1179.6000108.4L242 M243 E247 L274L242-L245 HydrophobicContact CB-CD1 3.45Å; L242-L245 VanDerWaalsContact CB-CD1 3.45Å; L242-L245 HydrophobicContact CB-CD2 3.95Å; L242-L245 HydrophobicContact CB-CG 3.63Å; L242-L245 HydrophobicContact CD1-CD1 3.97Å; L242-L245 HydrophobicContact CG-CD1 4.37Å; M243-L245 PolarHBondContact O-N 3.48Å; L245-E247 PolarHBondContact O-N 2.88Å; L245-E247 VanDerWaalsContact O-N 3.09Å; L245-L274 HydrophobicContact CD1-CD1 3.54Å; L245-L274 HydrophobicContact CD2-CD1 3.61Å; L245-L274 HydrophobicContact CG-CD1 4.08Å
246P53.8Low61.6Low107 Ų107124.9 Ų124.970%0.69568%0.678SS**  trans-56.5118.1173.3-21.931.9000109.2G248P246-G248 PolarHBondContact O-N 3.46Å
247E49.1Very low59.7Low182 Ų182123.2 Ų123.285%0.8568%0.679SS**  trans-72.7113.5176.2-70.5-179.3-17900109.2L245 K249L245-E247 PolarHBondContact O-N 2.88Å; L245-E247 VanDerWaalsContact O-N 3.09Å; E247-K249 PolarHBondContact O-N 3.17Å
248G49.6Very low57.6Low33 Ų33123.2 Ų123.234%0.3469%0.685SS.*  trans-66110.2163.600000109.3P246 A250P246-G248 PolarHBondContact O-N 3.46Å; G248-A250 PolarHBondContact O-N 3.42Å; G248-A250 VanDerWaalsContact O-N 3.14Å
249K48.3Very low55.7Low193 Ų193119.9 Ų119.984%0.83968%0.679SS**  trans-68.4110.3173-70.6-174.7179.5179.50108.9E247 S251E247-K249 PolarHBondContact O-N 3.17Å; K249-S251 PolarHBondContact O-N 2.94Å
250A50Low54.4Low79 Ų79123.2 Ų123.265%0.65369%0.691SS**  trans-62.1122.6165.700000108.4G248 S252G248-A250 PolarHBondContact O-N 3.42Å; G248-A250 VanDerWaalsContact O-N 3.14Å; A250-S252 PolarHBondContact O-N 3.34Å; A250-S252 VanDerWaalsContact O-N 3.08Å
251S44.2Very low52.9Low64 Ų64123.3 Ų123.345%0.44869%0.69SS.*  trans-60.9113.8171.4370000108.4K249 S253 N290K249-S251 PolarHBondContact O-N 2.94Å; S251-S253 PolarHBondContact O-N 3.3Å; S251-N290 PolarHBondContact OG-ND2 3.28Å
252S44.1Very low51.9Low129 Ų129121.4 Ų121.490%0.90270%0.696SS**  trans-70.580.5177.657.60000109.7A250A250-S252 PolarHBondContact O-N 3.34Å; A250-S252 VanDerWaalsContact O-N 3.08Å
253S41.1Very low50.8Low95 Ų95120.4 Ų120.466%0.66470%0.695SS**  trans-104.4106.8164.657.60000109.6S251S251-S253 PolarHBondContact O-N 3.3Å
254S40.5Very low50.8Low102 Ų102119.3 Ų119.371%0.71368%0.683SS**  trans68.1107.8150.259.70000119.7
255S42.7Very low50.9Low104 Ų104110 Ų11073%0.72765%0.65SS**  77.7123121.764.10000121
256S40.5Very low51.5Low111 Ų111110.8 Ų110.878%0.77666%0.658SS**  trans92.2112.3137.5730000118.8
257S49Very low52.5Low128 Ų128105.9 Ų105.990%0.89563%0.626SS**  trans52.5104.7135.4-178.60000118.2
258G45.7Very low53.8Low60 Ų60102.3 Ų102.362%0.61962%0.617SS**  trans142.2106149.100000114.2
259T45.2Very low55Low127 Ų127101 Ų10178%0.77960%0.602SS**  trans61.7120165.758.70000117.3Q261T259-Q261 VanDerWaalsContact C-N 3.27Å; T259-Q261 PolarHBondContact O-N 2.9Å
260R52.6Low56.1Low247 Ų24797.4 Ų97.493%0.93260%0.598SS**  trans-63.288.4164.7-75.9-179169.9117.6-3.1108.6T262R260-T262 PolarHBondContact O-N 2.88Å
261Q53.6Low57Low94 Ų9497 Ų9744%0.43959%0.585SS.*  trans-67120.1169-78.4-179.8-46.700108.5T259 Y264 L278T259-Q261 VanDerWaalsContact C-N 3.27Å; T259-Q261 PolarHBondContact O-N 2.9Å; Q261-Y264 PolarHBondContact O-OH 2.92Å; Q261-L278 HydrophobicContact CB-CD2 4.18Å
262T56.6Low58Low123 Ų12396.6 Ų96.676%0.75559%0.591SS**  trans-96.20.5-17653.20000113.3R260R260-T262 PolarHBondContact O-N 2.88Å
263V57.7Low59.1Low94 Ų9497.1 Ų97.157%0.5757%0.573SS**  trans-114.1124.9-176.8-171.90000108.3A279V263-A279 HydrophobicContact CB-CB 4.05Å; V263-A279 HydrophobicContact CG1-CB 3.67Å; V263-A279 WeakPolarHBondContact O-CB 3.35Å; V263-A279 PolarHBondContact O-N 3.48Å; V263-A279 VanDerWaalsContact O-N 3.17Å
264Y71.4Confident60.7Low123 Ų12394.5 Ų94.548%0.48255%0.552SS.*EExtended strand (participates in β ladder)trans-124.2143.4-179.6-60.7-88.6000109.4Q261 L276 S277 L278Q261-Y264 PolarHBondContact O-OH 2.92Å; Y264-L276 HydrophobicContact CD1-CB 4.27Å; Y264-S277 CarbonylContact C-O 3.53Å; Y264-S277 WeakPolarHBondContact CA-O 3.37Å; Y264-S277 WeakPolarHBondContact CB-O 3.45Å; Y264-L278 HydrophobicContact CD1-CD2 4.06Å; Y264-L278 HydrophobicContact CE1-CD2 3.59Å; Y264-L278 HydrophobicContact CE1-CG 4.49Å
265E70.4Confident62.2Low45 Ų4590.6 Ų90.621%0.2152%0.522CS..EExtended strand (participates in β ladder)trans-88.2136.1166.4-68.6176.8169.300109.1L276 S277 A279 T284 C285E265-L276 WeakPolarHBondContact O-CA 3.38Å; E265-S277 PolarHBondContact N-O 2.86Å; E265-S277 PolarHBondContact O-N 3.36Å; E265-A279 HydrophobicContact CG-CB 4.01Å; E265-T284 WeakPolarHBondContact OE2-CA 3.46Å; E265-T284 WeakPolarHBondContact OE2-CB 3.31Å; E265-T284 PolarHBondContact OE2-N 3.27Å; E265-T284 PolarHBondContact OE2-OG1 2.88Å; E265-C285 PolarHBondContact OE2-N 3.49Å
266V75.1Confident63.5Low86 Ų8691 Ų9152%0.52152%0.515SS..EExtended strand (participates in β ladder)trans-93.5109.9173.3-179.20000107.9L274 L276V266-L274 HydrophobicContact CG1-CB 4.18Å; V266-L274 HydrophobicContact CG1-CD1 4.36Å; V266-L274 HydrophobicContact CG1-CD2 4.11Å; V266-L274 HydrophobicContact CG1-CG 4.46Å; V266-L276 HydrophobicContact CG2-CD2 3.9Å
267C74.8Confident65.1Low4 Ų486.8 Ų86.83%0.02749%0.486CS..EExtended strand (participates in β ladder)trans-99.7136.8-177.2-53.70000110.5L274 F275 S277 C285C267-L274 WeakPolarHBondContact O-CA 3.15Å; C267-F275 HydrophobicContact CB-CD1 3.77Å; C267-F275 HydrophobicContact CB-CD2 4.11Å; C267-F275 HydrophobicContact CB-CE1 3.3Å; C267-F275 HydrophobicContact CB-CE2 3.67Å; C267-F275 HydrophobicContact CB-CG 4.16Å; C267-F275 HydrophobicContact CB-CZ 3.24Å; C267-F275 PolarHBondContact N-O 3.34Å; C267-F275 PolarHBondContact O-N 3.48Å; C267-S277 VanDerWaalsContact SG-CB 3.58Å; C267-C285 WeakPolarHBondContact CA-SG 3.34Å; C267-C285 HydrophobicContact CB-CB 3.71Å; C267-C285 WeakPolarHBondContact CB-SG 3.37Å; C267-C285 WeakPolarHBondContact SG-CA 3.29Å; C267-C285 WeakPolarHBondContact SG-CB 3.37Å; C267-C285 CovalentContact SG-SG 2.03Å; C267-C285 PolarHBondContact SG-SG 2.81Å
268V77.3Confident66.2Low108 Ų10885.1 Ų85.166%0.65547%0.467SS*.EExtended strand (participates in β ladder)trans-102.8118.6179.5-164.80000109.2L274V268-L274 HydrophobicContact CB-CD2 4.01Å; V268-L274 HydrophobicContact CG1-CD2 3.94Å; V268-L274 HydrophobicContact CG2-CD2 3.54Å
269C73.6Confident67.3Low5 Ų583.4 Ų83.43%0.03445%0.446CS..PPolyproline II helixtrans-73.9156.6173.1-63.50000111.1N271 G272 R273 F275 C292C269-N271 WeakPolarHBondContact CB-OD1 3.29Å; C269-N271 PolarHBondContact O-N 2.88Å; C269-N271 VanDerWaalsContact O-N 3.08Å; C269-G272 PolarHBondContact O-N 2.84Å; C269-R273 HydrophobicContact CB-CB 4.31Å; C269-R273 WeakPolarHBondContact CB-O 3.32Å; C269-R273 PolarHBondContact N-O 2.84Å; C269-F275 VanDerWaalsContact SG-CD1 3.53Å; C269-C292 HydrophobicContact CB-CB 3.55Å; C269-C292 WeakPolarHBondContact CB-SG 3.42Å; C269-C292 WeakPolarHBondContact SG-CA 3.36Å; C269-C292 WeakPolarHBondContact SG-CB 3.31Å; C269-C292 CovalentContact SG-SG 2.04Å; C269-C292 PolarHBondContact SG-SG 3.28Å
270P71.6Confident68.4Low117 Ų11779.6 Ų79.676%0.7643%0.432SS*.THydrogen-bonded Turntrans-58.2-22.5173.9-25.134.7000114.7G272P270-G272 VanDerWaalsContact C-N 3.32Å
271N68.6Low69.3Low70 Ų7073.7 Ų73.737%0.37444%0.436SS..THydrogen-bonded Turntrans-87.45.7175.468.21.1000113.9C269 R273 C292C269-N271 WeakPolarHBondContact CB-OD1 3.29Å; C269-N271 PolarHBondContact O-N 2.88Å; C269-N271 VanDerWaalsContact O-N 3.08Å; N271-R273 VanDerWaalsContact C-N 3.35Å; N271-R273 PolarHBondContact O-N 2.86Å; N271-R273 WeakPolarHBondContact OD1-CB 3.35Å; N271-R273 WeakPolarHBondContact OD1-CG 3.34Å; N271-R273 PolarHBondContact OD1-N 3.4Å; N271-R273 VanDerWaalsContact OD1-N 3.13Å; N271-C292 PolarHBondContact ND2-O 3.28Å; N271-C292 VanDerWaalsContact ND2-O 3.13Å
272G66.5Low69.9Low56 Ų5671.4 Ų71.458%0.57744%0.438SS*.SBendtrans82.90.9178.500000115.4C269 P270C269-G272 PolarHBondContact O-N 2.84Å; P270-G272 VanDerWaalsContact C-N 3.32Å
273R66.7Low70.5Confident141 Ų14170.1 Ų70.153%0.53243%0.434SS..  trans-73.4140.9173.9-66.9-176179.2178.92.6111C269 N271C269-R273 HydrophobicContact CB-CB 4.31Å; C269-R273 WeakPolarHBondContact CB-O 3.32Å; C269-R273 PolarHBondContact N-O 2.84Å; N271-R273 VanDerWaalsContact C-N 3.35Å; N271-R273 PolarHBondContact O-N 2.86Å; N271-R273 WeakPolarHBondContact OD1-CB 3.35Å; N271-R273 WeakPolarHBondContact OD1-CG 3.34Å; N271-R273 PolarHBondContact OD1-N 3.4Å; N271-R273 VanDerWaalsContact OD1-N 3.13Å
274L74.4Confident71.1Confident40 Ų4067.6 Ų67.621%0.20942%0.419CS..EExtended strand (participates in β ladder)trans-100.4135.7174-60177.1000109.5L245 V266 C267 V268L245-L274 HydrophobicContact CD1-CD1 3.54Å; L245-L274 HydrophobicContact CD2-CD1 3.61Å; L245-L274 HydrophobicContact CG-CD1 4.08Å; V266-L274 HydrophobicContact CG1-CB 4.18Å; V266-L274 HydrophobicContact CG1-CD1 4.36Å; V266-L274 HydrophobicContact CG1-CD2 4.11Å; V266-L274 HydrophobicContact CG1-CG 4.46Å; C267-L274 WeakPolarHBondContact O-CA 3.15Å; V268-L274 HydrophobicContact CB-CD2 4.01Å; V268-L274 HydrophobicContact CG1-CD2 3.94Å; V268-L274 HydrophobicContact CG2-CD2 3.54Å
275F71.3Confident71.1Confident19 Ų1964.2 Ų64.28%0.08341%0.413CS..EExtended strand (participates in β ladder)trans-135154.4172.373.2-86.5000111.2C267 C269 Q286 V291 C292C267-F275 HydrophobicContact CB-CD1 3.77Å; C267-F275 HydrophobicContact CB-CD2 4.11Å; C267-F275 HydrophobicContact CB-CE1 3.3Å; C267-F275 HydrophobicContact CB-CE2 3.67Å; C267-F275 HydrophobicContact CB-CG 4.16Å; C267-F275 HydrophobicContact CB-CZ 3.24Å; C267-F275 PolarHBondContact N-O 3.34Å; C267-F275 PolarHBondContact O-N 3.48Å; C269-F275 VanDerWaalsContact SG-CD1 3.53Å; F275-Q286 WeakPolarHBondContact CZ-O 3.28Å; F275-V291 HydrophobicContact CB-CG1 3.68Å; F275-V291 HydrophobicContact CD1-CG1 4.4Å; F275-V291 HydrophobicContact CG-CG1 4.22Å; F275-C292 VanDerWaalsContact CE1-SG 3.57Å
276L71.8Confident71.1Confident112 Ų11269.5 Ų69.559%0.58644%0.438SS*.EExtended strand (participates in β ladder)trans-90.6126.9177.7-63.6172000109.2Y264 E265 V266Y264-L276 HydrophobicContact CD1-CB 4.27Å; E265-L276 WeakPolarHBondContact O-CA 3.38Å; V266-L276 HydrophobicContact CG2-CD2 3.9Å
277S72.3Confident70.3Confident23 Ų2371 Ų7116%0.16144%0.441CS..EExtended strand (participates in β ladder)trans-109.2150.1166.4-173.20000109.9Y264 E265 C267 A279 T284Y264-S277 CarbonylContact C-O 3.53Å; Y264-S277 WeakPolarHBondContact CA-O 3.37Å; Y264-S277 WeakPolarHBondContact CB-O 3.45Å; E265-S277 PolarHBondContact N-O 2.86Å; E265-S277 PolarHBondContact O-N 3.36Å; C267-S277 VanDerWaalsContact SG-CB 3.58Å; S277-A279 PolarHBondContact O-N 3.19Å; S277-T284 WeakPolarHBondContact CB-OG1 3.32Å; S277-T284 WeakPolarHBondContact OG-CB 3.47Å; S277-T284 PolarHBondContact OG-O 2.82Å; S277-T284 PolarHBondContact OG-OG1 3.3Å
278L73.9Confident69.7Low94 Ų9473.7 Ų73.749%0.49246%0.456SS..EExtended strand (participates in β ladder)trans-71.4122.8176.4-72164.7000109.3Q261 Y264 G280 T284Q261-L278 HydrophobicContact CB-CD2 4.18Å; Y264-L278 HydrophobicContact CD1-CD2 4.06Å; Y264-L278 HydrophobicContact CE1-CD2 3.59Å; Y264-L278 HydrophobicContact CE1-CG 4.49Å; L278-G280 PolarHBondContact O-N 3.37Å; L278-T284 WeakPolarHBondContact O-CB 3.34Å; L278-T284 VanDerWaalsContact O-CG2 3.26Å; L278-T284 WeakPolarHBondContact O-CG2 3.21Å; L278-T284 PolarHBondContact O-OG1 2.82Å
279A68.1Low69.1Low23 Ų2373.2 Ų73.219%0.1945%0.449CS..  trans-66.8131.9-17700000111.8V263 E265 S277V263-A279 HydrophobicContact CB-CB 4.05Å; V263-A279 HydrophobicContact CG1-CB 3.67Å; V263-A279 WeakPolarHBondContact O-CB 3.35Å; V263-A279 PolarHBondContact O-N 3.48Å; V263-A279 VanDerWaalsContact O-N 3.17Å; E265-A279 HydrophobicContact CG-CB 4.01Å; S277-A279 PolarHBondContact O-N 3.19Å
280G68.8Low68.7Low47 Ų4778.9 Ų78.949%0.48548%0.479SS..  trans-120.4-169.4-179.800000113.1L278 G282L278-G280 PolarHBondContact O-N 3.37Å; G280-G282 PolarHBondContact O-N 2.79Å
281A70.8Confident68.4Low123 Ų12373.8 Ų73.8100%1.01745%0.446SS*.SBendtrans-71.1-8175.700000113.9
282G65.4Low68.2Low46 Ų4671.1 Ų71.147%0.47443%0.432SS..SBendtrans-150174.8171.400000109.6G280 T284G280-G282 PolarHBondContact O-N 2.79Å; G282-T284 WeakPolarHBondContact O-CG2 3.29Å; G282-T284 PolarHBondContact O-N 3.43Å
283S69.2Low67.9Low97 Ų9776.4 Ų76.468%0.67845%0.447SS*.  trans-57.5122.1-178.3179.70000111.2
284T71.9Confident68Low41 Ų4173.2 Ų73.225%0.25244%0.442SS..  trans-98.92.3178.466.50000112.4E265 S277 L278 G282 Q286E265-T284 WeakPolarHBondContact OE2-CA 3.46Å; E265-T284 WeakPolarHBondContact OE2-CB 3.31Å; E265-T284 PolarHBondContact OE2-N 3.27Å; E265-T284 PolarHBondContact OE2-OG1 2.88Å; S277-T284 WeakPolarHBondContact CB-OG1 3.32Å; S277-T284 WeakPolarHBondContact OG-CB 3.47Å; S277-T284 PolarHBondContact OG-O 2.82Å; S277-T284 PolarHBondContact OG-OG1 3.3Å; L278-T284 WeakPolarHBondContact O-CB 3.34Å; L278-T284 VanDerWaalsContact O-CG2 3.26Å; L278-T284 WeakPolarHBondContact O-CG2 3.21Å; L278-T284 PolarHBondContact O-OG1 2.82Å; G282-T284 WeakPolarHBondContact O-CG2 3.29Å; G282-T284 PolarHBondContact O-N 3.43Å; T284-Q286 PolarHBondContact O-N 2.97Å
285C70.9Confident67.6Low52 Ų5274.9 Ų74.935%0.35146%0.455SS..  trans-67.980.7174.3-70.30000111.8E265 C267E265-C285 PolarHBondContact OE2-N 3.49Å; C267-C285 WeakPolarHBondContact CA-SG 3.34Å; C267-C285 HydrophobicContact CB-CB 3.71Å; C267-C285 WeakPolarHBondContact CB-SG 3.37Å; C267-C285 WeakPolarHBondContact SG-CA 3.29Å; C267-C285 WeakPolarHBondContact SG-CB 3.37Å; C267-C285 CovalentContact SG-SG 2.03Å; C267-C285 PolarHBondContact SG-SG 2.81Å
286Q69.7Low67.4Low156 Ų15678.1 Ų78.173%0.72948%0.475SS*.  trans-97.9143.3169-59.6-153.6-9.900109.9F275 T284 N288F275-Q286 WeakPolarHBondContact CZ-O 3.28Å; T284-Q286 PolarHBondContact O-N 2.97Å; Q286-N288 PolarHBondContact O-N 3.38Å
287I59.8Low67.2Low117 Ų11776.1 Ų76.160%0.647%0.469SS*.  trans-61.2102.3178.4-67.4161.3000108.2N289 C292I287-N289 PolarHBondContact O-N 2.76Å; I287-C292 HydrophobicContact CG2-CB 4.11Å
288N62.2Low66.9Low61 Ų6179.4 Ų79.433%0.32649%0.488SS..  trans-82.8102.7169.6-171.2-15.8000107.6Q286 N290 V291 C292Q286-N288 PolarHBondContact O-N 3.38Å; N288-N290 PolarHBondContact O-N 3.16Å; N288-N290 WeakPolarHBondContact OD1-CB 3.31Å; N288-N290 PolarHBondContact OD1-N 3.4Å; N288-N290 VanDerWaalsContact OD1-N 3.15Å; N288-V291 HydrophobicContact CB-CG2 4.45Å; N288-V291 PolarHBondContact O-N 2.75Å; N288-C292 WeakPolarHBondContact O-CB 3.31Å; N288-C292 PolarHBondContact O-N 3.16Å
289N64Low66.4Low97 Ų9778.4 Ų78.452%0.51949%0.488SS..Hα-helixtrans-52.7-28.8179.7-76.8-15.5000112.6I287 V291 L293I287-N289 PolarHBondContact O-N 2.76Å; N289-V291 VanDerWaalsContact C-N 3.28Å; N289-V291 PolarHBondContact O-N 3.02Å; N289-L293 HydrophobicContact CB-CD1 3.83Å; N289-L293 HydrophobicContact CB-CG 4.28Å; N289-L293 WeakPolarHBondContact O-CB 3.26Å; N289-L293 VanDerWaalsContact O-CD1 3.24Å; N289-L293 WeakPolarHBondContact O-CD1 2.92Å; N289-L293 WeakPolarHBondContact O-CG 3.42Å; N289-L293 PolarHBondContact O-N 3.1Å
290N65.4Low66.3Low125 Ų12582.4 Ų82.467%0.66851%0.509SS*.Hα-helixtrans-71.9-19.2178.7-67.9-23000114.2S251 N288S251-N290 PolarHBondContact OG-ND2 3.28Å; N288-N290 PolarHBondContact O-N 3.16Å; N288-N290 WeakPolarHBondContact OD1-CB 3.31Å; N288-N290 PolarHBondContact OD1-N 3.4Å; N288-N290 VanDerWaalsContact OD1-N 3.15Å
291V64.8Low66.1Low9 Ų985.1 Ų85.16%0.05551%0.511CS..Hα-helixtrans-111.6-32.5-178-171.80000111.5F275 N288 N289F275-V291 HydrophobicContact CB-CG1 3.68Å; F275-V291 HydrophobicContact CD1-CG1 4.4Å; F275-V291 HydrophobicContact CG-CG1 4.22Å; N288-V291 HydrophobicContact CB-CG2 4.45Å; N288-V291 PolarHBondContact O-N 2.75Å; N289-V291 VanDerWaalsContact C-N 3.28Å; N289-V291 PolarHBondContact O-N 3.02Å
292C64.6Low65.7Low14 Ų1481.9 Ų81.910%0.09547%0.469CS..Hα-helixtrans-95.4-6.4-176-63.10000115.6C269 N271 F275 I287 N288C269-C292 HydrophobicContact CB-CB 3.55Å; C269-C292 WeakPolarHBondContact CB-SG 3.42Å; C269-C292 WeakPolarHBondContact SG-CA 3.36Å; C269-C292 WeakPolarHBondContact SG-CB 3.31Å; C269-C292 CovalentContact SG-SG 2.04Å; C269-C292 PolarHBondContact SG-SG 3.28Å; N271-C292 PolarHBondContact ND2-O 3.28Å; N271-C292 VanDerWaalsContact ND2-O 3.13Å; F275-C292 VanDerWaalsContact CE1-SG 3.57Å; I287-C292 HydrophobicContact CG2-CB 4.11Å; N288-C292 WeakPolarHBondContact O-CB 3.31Å; N288-C292 PolarHBondContact O-N 3.16Å
293L60.3Low65.7Low168 Ų16885.2 Ų85.288%0.8847%0.468SS*.  trans-79.50167.6-73.6168.6000111.6N289N289-L293 HydrophobicContact CB-CD1 3.83Å; N289-L293 HydrophobicContact CB-CG 4.28Å; N289-L293 WeakPolarHBondContact O-CB 3.26Å; N289-L293 VanDerWaalsContact O-CD1 3.24Å; N289-L293 WeakPolarHBondContact O-CD1 2.92Å; N289-L293 WeakPolarHBondContact O-CG 3.42Å; N289-L293 PolarHBondContact O-N 3.1Å

Retrieved 293 of 293 residues in 124.1 ms (Link to these results)