A0A087YEU4_POEFO Loading...

Gamma-sarcoglycan

Component of the sarcoglycan complex, a subcomplex of the dystrophin-glycoprotein complex which forms a link between the F-actin cytoskeleton and the extracellular matrix.

AlphaFold DB , UniProt , Accession A0A087YEU4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 319 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
1M39.5Very low36.2Very low235 Ų235156.5 Ų156.5100%1.15880%0.797SS**  088.30-65.9177.1-179.600105.7
2V36.6Very low36Very low136 Ų136150.2 Ų150.282%0.82480%0.8SS**  66.5111.493.4178.50000108.1
3R36.4Very low36.5Very low211 Ų211150.8 Ų150.880%0.79681%0.813SS**  -164.9120.250.7-138.6166.6176.8168.7-0.4108.4
4E39.3Very low36.4Very low141 Ų141145.2 Ų145.266%0.65981%0.808SS**  73.3118.9103.7-62.6-165.8156.100115.9
5Q37.7Very low37.1Very low126 Ų126141.7 Ų141.759%0.58981%0.805SS**  73.3132.277-122.1170.6-13.900110.3
6Y32.6Very low37.6Very low181 Ų181140.9 Ų140.971%0.7181%0.807SS**  cis-152.916725.6-75.5-99.9000106.8
7V37Very low37.9Very low136 Ų136143.1 Ų143.182%0.82481%0.809SS**  -171.9130.964.41660000108.7
8S35.9Very low38.3Very low103 Ų103141.9 Ų141.972%0.7281%0.807SS**  trans-66.9153.2162.6-57.40000112
9T34.3Very low38.9Very low141 Ų141140.5 Ų140.587%0.86580%0.802SS**  -179.1141.6123.3-75.30000111.7
10T37Very low39.5Very low116 Ų116137.6 Ų137.671%0.71279%0.788SS**  trans-74.8162.4-174-13.10000114.8
11Q32.4Very low39.9Very low195 Ų195137.8 Ų137.891%0.91179%0.787SS**  trans70.2130.7147.9-77.5179.5-15.700120.4
12G32.9Very low40.5Very low81 Ų81133.5 Ų133.584%0.83576%0.764SS**  trans152.7103.3152.800000115.1
13V43.6Very low41Very low159 Ų159132.1 Ų132.196%0.96476%0.755SS**  trans-56.7139.1173.7169.80000112.5
14G35.1Very low41.7Very low72 Ų72131.5 Ų131.574%0.74275%0.754SS**  trans178.595.9165.800000116.1
15A46.3Very low42Very low92 Ų92133.3 Ų133.376%0.7676%0.76SS**  trans55.2138.3154.200000121.3Q17A15-Q17 PolarHBondContact O-N 3.21Å
16P44.6Very low42.8Very low130 Ų130133.9 Ų133.984%0.84477%0.766SS**  trans-77.8118.2177.831.3-29.3000110.3
17Q43.6Very low43.9Very low178 Ų178127.3 Ų127.383%0.83275%0.753SS**  trans-90.8135.9159.6-75.7-156.8-15.200109.3A15 V19A15-Q17 PolarHBondContact O-N 3.21Å; Q17-V19 PolarHBondContact O-N 2.97Å; Q17-V19 VanDerWaalsContact O-N 3.08Å
18P45.5Very low44.7Very low121 Ų121125.9 Ų125.979%0.78674%0.739SS**  trans-67.3112171.527.3-29.3000107.8P20P18-P20 VanDerWaalsContact O-CD 3.24Å; P18-P20 WeakPolarHBondContact O-CD 3.35Å
19V49.3Very low45.7Very low116 Ų116131.3 Ų131.370%0.70375%0.746SS**  trans-58.3116.8165.9-176.40000106Q17 D21Q17-V19 PolarHBondContact O-N 2.97Å; Q17-V19 VanDerWaalsContact O-N 3.08Å; V19-D21 PolarHBondContact O-N 3.21Å
20P51Low47Very low82 Ų82125.5 Ų125.553%0.53271%0.714SS.*  trans-68.2108162.320.6-13.6000105.2P18 H22P18-P20 VanDerWaalsContact O-CD 3.24Å; P18-P20 WeakPolarHBondContact O-CD 3.35Å; P20-H22 PolarHBondContact O-N 2.72Å
21D47.3Very low48.3Very low141 Ų141130.2 Ų130.275%0.75472%0.719SS**  trans-59.686.6163.3-83.9-28.6000106.9V19 V23V19-D21 PolarHBondContact O-N 3.21Å; D21-V23 HydrophobicContact CB-CG2 4.3Å; D21-V23 PolarHBondContact O-N 3.28Å
22H51.9Low50.4Low146 Ų146130.9 Ų130.968%0.67671%0.713SS**  trans-70.770.5159-57.5-50.7000106.1P20 Y24P20-H22 PolarHBondContact O-N 2.72Å; H22-Y24 PolarHBondContact O-N 3.41Å
23V48Very low52.4Low106 Ų106132.6 Ų132.664%0.64270%0.698SS**  trans-50.7103.1151.6179.50000103.3D21 K25D21-V23 HydrophobicContact CB-CG2 4.3Å; D21-V23 PolarHBondContact O-N 3.28Å; V23-K25 HydrophobicContact CG1-CG 4.09Å; V23-K25 PolarHBondContact O-N 3.38Å
24Y49.5Very low54.2Low199 Ų199133.3 Ų133.378%0.7868%0.683SS**  trans-59.580.7160.1-90.9-96.7000105.2H22 I26H22-Y24 PolarHBondContact O-N 3.41Å; Y24-I26 PolarHBondContact O-N 3.41Å
25K47.5Very low56.3Low179 Ų179134 Ų13478%0.77868%0.675SS**  trans-61.795.5148.3-78.3-176177.8176.30101.8V23 G27V23-K25 HydrophobicContact CG1-CG 4.09Å; V23-K25 PolarHBondContact O-N 3.38Å; K25-G27 PolarHBondContact O-N 3.25Å
26I53.7Low58.2Low138 Ų138134.4 Ų134.471%0.70866%0.664SS**  trans-60.173.1151.4-67.8105.6000105.3Y24 I28Y24-I26 PolarHBondContact O-N 3.41Å; I26-I28 VanDerWaalsContact C-N 3.28Å; I26-I28 HydrophobicContact CG2-CG1 4.38Å; I26-I28 PolarHBondContact O-N 3.3Å; I26-I28 VanDerWaalsContact O-N 3.15Å
27G56Low60.1Low43 Ų43135.7 Ų135.744%0.44365%0.653SS.*  trans-81.686.9172.900000104.3K25 Y29K25-G27 PolarHBondContact O-N 3.25Å; G27-Y29 WeakPolarHBondContact O-CB 3.49Å; G27-Y29 PolarHBondContact O-N 2.92Å
28I52.3Low62.3Low105 Ų105132.6 Ų132.654%0.53864%0.642SS.*  trans-6478.8149.1-58.7177000104.6I26I26-I28 VanDerWaalsContact C-N 3.28Å; I26-I28 HydrophobicContact CG2-CG1 4.38Å; I26-I28 PolarHBondContact O-N 3.3Å; I26-I28 VanDerWaalsContact O-N 3.15Å
29Y57.2Low64.5Low217 Ų217132.5 Ų132.585%0.85163%0.629SS**  trans-93.6138.5-162.7-154.1-98.8000109.5G27 W31G27-Y29 WeakPolarHBondContact O-CB 3.49Å; G27-Y29 PolarHBondContact O-N 2.92Å; Y29-W31 PolarHBondContact O-N 3.16Å
30G62.8Low66.5Low20 Ų20130 Ų13021%0.20661%0.614CS.*SBendtrans103.4-82.2157.800000115.1R34G30-R34 WeakPolarHBondContact O-CD 3.45Å; G30-R34 WeakPolarHBondContact O-CG 3.46Å
31W64.5Low68.5Low214 Ų214131.2 Ų131.281%0.81162%0.616SS**SBendtrans-111.1-37.3-157.6-72.282.2000115.1Y29 R34 C35Y29-W31 PolarHBondContact O-N 3.16Å; W31-R34 PolarHBondContact O-N 2.54Å; W31-C35 VanDerWaalsContact O-CB 3.26Å; W31-C35 WeakPolarHBondContact O-CB 3.29Å; W31-C35 PolarHBondContact O-N 3.35Å
32R75.1Confident70.7Confident210 Ų210128.4 Ų128.479%0.79260%0.6SS**Hα-helixtrans-67.4-39.6-177-66.1-177.1-178.3173.60.7112.9C35 L36R32-C35 PolarHBondContact O-N 3.3Å; R32-L36 WeakPolarHBondContact O-CB 3.29Å; R32-L36 PolarHBondContact O-N 3.1Å
33K75.8Confident72.7Confident117 Ų117125.3 Ų125.351%0.50959%0.588SS.*Hα-helixtrans-66.9-42.2173.8-73-171.2-177.5-174.80112C35 L36 Y37K33-C35 VanDerWaalsContact C-N 3.34Å; K33-L36 PolarHBondContact O-N 3.12Å; K33-Y37 HydrophobicContact CB-CD2 4.38Å; K33-Y37 HydrophobicContact CB-CE2 4.09Å; K33-Y37 WeakPolarHBondContact O-CD2 3.39Å; K33-Y37 PolarHBondContact O-N 3.24Å
34R81.8Confident75Confident174 Ų174124.9 Ų124.966%0.65758%0.581SS**Hα-helixtrans-65.4-37.5176.2-68.8-178-176.1159.8-1.5111.9G30 W31 Y37 L38G30-R34 WeakPolarHBondContact O-CD 3.45Å; G30-R34 WeakPolarHBondContact O-CG 3.46Å; W31-R34 PolarHBondContact O-N 2.54Å; R34-Y37 PolarHBondContact O-N 3.13Å; R34-L38 VanDerWaalsContact O-CB 3.23Å; R34-L38 WeakPolarHBondContact O-CB 3.4Å; R34-L38 PolarHBondContact O-N 2.93Å
35C79.6Confident77.2Confident85 Ų85119.1 Ų119.157%0.57457%0.567SS**Hα-helixtrans-63.7-42.8172.2-171.50000111.2W31 R32 K33 L38 F39W31-C35 VanDerWaalsContact O-CB 3.26Å; W31-C35 WeakPolarHBondContact O-CB 3.29Å; W31-C35 PolarHBondContact O-N 3.35Å; R32-C35 PolarHBondContact O-N 3.3Å; K33-C35 VanDerWaalsContact C-N 3.34Å; C35-L38 PolarHBondContact O-N 3.4Å; C35-F39 VanDerWaalsContact O-CB 3.29Å; C35-F39 WeakPolarHBondContact O-CB 3.49Å; C35-F39 PolarHBondContact O-N 3.09Å
36L84.7Confident79.5Confident102 Ų102114.4 Ų114.453%0.53455%0.549SS..Hα-helixtrans-65-44.7175.3-169.1154000111.8R32 K33 L38 F39 V40R32-L36 WeakPolarHBondContact O-CB 3.29Å; R32-L36 PolarHBondContact O-N 3.1Å; K33-L36 PolarHBondContact O-N 3.12Å; L36-L38 VanDerWaalsContact C-N 3.34Å; L36-L38 PolarHBondContact O-N 2.83Å; L36-F39 PolarHBondContact O-N 2.78Å; L36-V40 HydrophobicContact CD2-CG2 3.87Å; L36-V40 WeakPolarHBondContact O-CB 3.2Å; L36-V40 VanDerWaalsContact O-CG2 3.28Å; L36-V40 WeakPolarHBondContact O-CG2 3.45Å; L36-V40 PolarHBondContact O-N 3.26Å
37Y85.9Confident81.5Confident157 Ų157113.3 Ų113.362%0.61654%0.544SS*.Hα-helixtrans-64.4-37.9175.4-70.3-60.6000112.3K33 R34 L41K33-Y37 HydrophobicContact CB-CD2 4.38Å; K33-Y37 HydrophobicContact CB-CE2 4.09Å; K33-Y37 WeakPolarHBondContact O-CD2 3.39Å; K33-Y37 PolarHBondContact O-N 3.24Å; R34-Y37 PolarHBondContact O-N 3.13Å; Y37-L41 WeakPolarHBondContact O-CB 3.22Å; Y37-L41 PolarHBondContact O-N 3.04Å
38L88.1Confident83.4Confident112 Ų112115.4 Ų115.459%0.58655%0.548SS*.Hα-helixtrans-64.8-43174.1-171.4158.6000110.8R34 C35 L36 L41 L42R34-L38 VanDerWaalsContact O-CB 3.23Å; R34-L38 WeakPolarHBondContact O-CB 3.4Å; R34-L38 PolarHBondContact O-N 2.93Å; C35-L38 PolarHBondContact O-N 3.4Å; L36-L38 VanDerWaalsContact C-N 3.34Å; L36-L38 PolarHBondContact O-N 2.83Å; L38-L41 PolarHBondContact O-N 2.74Å; L38-L42 VanDerWaalsContact O-CB 3.29Å; L38-L42 WeakPolarHBondContact O-CB 3.24Å; L38-L42 PolarHBondContact O-N 3.12Å
39F91.6Very high85.5Confident120 Ų120114.4 Ų114.453%0.52655%0.547SS..Hα-helixtrans-65-44.2177-177.1-102.8000112.2C35 L36 L42 L43C35-F39 VanDerWaalsContact O-CB 3.29Å; C35-F39 WeakPolarHBondContact O-CB 3.49Å; C35-F39 PolarHBondContact O-N 3.09Å; L36-F39 PolarHBondContact O-N 2.78Å; F39-L42 PolarHBondContact O-N 2.98Å; F39-L43 HydrophobicContact CD1-CD1 3.94Å; F39-L43 HydrophobicContact CD1-CG 4.45Å; F39-L43 HydrophobicContact CE1-CD1 3.45Å; F39-L43 VanDerWaalsContact CE1-CD1 3.45Å; F39-L43 HydrophobicContact CE1-CG 4.11Å; F39-L43 HydrophobicContact CZ-CD1 3.96Å; F39-L43 HydrophobicContact CZ-CD2 4.5Å; F39-L43 HydrophobicContact CZ-CG 4.24Å; F39-L43 WeakPolarHBondContact O-CG 3.39Å; F39-L43 PolarHBondContact O-N 2.91Å
40V93.1Very high87.3Confident62 Ų62108.2 Ų108.238%0.37653%0.528SS..Hα-helixtrans-63.7-42.2174.6170.50000110.8L36 L42 L43 I44L36-V40 HydrophobicContact CD2-CG2 3.87Å; L36-V40 WeakPolarHBondContact O-CB 3.2Å; L36-V40 VanDerWaalsContact O-CG2 3.28Å; L36-V40 WeakPolarHBondContact O-CG2 3.45Å; L36-V40 PolarHBondContact O-N 3.26Å; V40-L42 VanDerWaalsContact C-N 3.35Å; V40-L43 PolarHBondContact O-N 3.22Å; V40-I44 HydrophobicContact CG1-CD1 3.93Å; V40-I44 VanDerWaalsContact O-CG1 3.28Å; V40-I44 WeakPolarHBondContact O-CG1 3.42Å; V40-I44 PolarHBondContact O-N 3.46Å
41L92.4Very high88.8Confident109 Ų109113.4 Ų113.457%0.57155%0.545SS*.Hα-helixtrans-62.5-42.7175.1-179.5139.9000111.3Y37 L38 I44 V45Y37-L41 WeakPolarHBondContact O-CB 3.22Å; Y37-L41 PolarHBondContact O-N 3.04Å; L38-L41 PolarHBondContact O-N 2.74Å; L41-I44 PolarHBondContact O-N 2.93Å; L41-V45 HydrophobicContact CD2-CG2 4.31Å; L41-V45 VanDerWaalsContact O-CG2 3.29Å; L41-V45 WeakPolarHBondContact O-CG2 3.29Å; L41-V45 PolarHBondContact O-N 2.77Å
42L94.1Very high90.2Very high81 Ų81105.9 Ų105.942%0.42453%0.529SS..Hα-helixtrans-62.3-43.1175.7-173.5155.1000111.1L38 F39 V40 V45 I46L38-L42 VanDerWaalsContact O-CB 3.29Å; L38-L42 WeakPolarHBondContact O-CB 3.24Å; L38-L42 PolarHBondContact O-N 3.12Å; F39-L42 PolarHBondContact O-N 2.98Å; V40-L42 VanDerWaalsContact C-N 3.35Å; L42-V45 PolarHBondContact O-N 2.79Å; L42-I46 HydrophobicContact CD2-CD1 3.43Å; L42-I46 VanDerWaalsContact CD2-CD1 3.43Å; L42-I46 HydrophobicContact CD2-CG1 4.14Å; L42-I46 WeakPolarHBondContact O-CG1 3.47Å; L42-I46 PolarHBondContact O-N 2.8Å
43L93.8Very high91.1Very high82 Ų8299.9 Ų99.943%0.42951%0.512SS..Hα-helixtrans-62.1-41.5174.1-76.5178.2000112.4F39 V40 V45 I46 L47F39-L43 HydrophobicContact CD1-CD1 3.94Å; F39-L43 HydrophobicContact CD1-CG 4.45Å; F39-L43 HydrophobicContact CE1-CD1 3.45Å; F39-L43 VanDerWaalsContact CE1-CD1 3.45Å; F39-L43 HydrophobicContact CE1-CG 4.11Å; F39-L43 HydrophobicContact CZ-CD1 3.96Å; F39-L43 HydrophobicContact CZ-CD2 4.5Å; F39-L43 HydrophobicContact CZ-CG 4.24Å; F39-L43 WeakPolarHBondContact O-CG 3.39Å; F39-L43 PolarHBondContact O-N 2.91Å; V40-L43 PolarHBondContact O-N 3.22Å; L43-V45 VanDerWaalsContact C-N 3.34Å; L43-I46 PolarHBondContact O-N 3.06Å; L43-L47 WeakPolarHBondContact O-CB 3.36Å; L43-L47 PolarHBondContact O-N 2.97Å
44I95.8Very high91.8Very high97 Ų9797.6 Ų97.650%0.49751%0.508SS..Hα-helixtrans-63.4-42.6175.3-69.6166.4000110.3V40 L41 L47 V48V40-I44 HydrophobicContact CG1-CD1 3.93Å; V40-I44 VanDerWaalsContact O-CG1 3.28Å; V40-I44 WeakPolarHBondContact O-CG1 3.42Å; V40-I44 PolarHBondContact O-N 3.46Å; L41-I44 PolarHBondContact O-N 2.93Å; I44-L47 WeakPolarHBondContact O-CB 3.47Å; I44-L47 PolarHBondContact O-N 3.22Å; I44-V48 HydrophobicContact CG2-CG2 4.32Å; I44-V48 VanDerWaalsContact O-CG2 3.29Å; I44-V48 WeakPolarHBondContact O-CG2 3.5Å; I44-V48 PolarHBondContact O-N 2.85Å
45V96.3Very high92.1Very high78 Ų7893.4 Ų93.447%0.47350%0.498SS..Hα-helixtrans-61.7-46.5176.2170.60000110.7L41 L42 L43 L47 V48 V49L41-V45 HydrophobicContact CD2-CG2 4.31Å; L41-V45 VanDerWaalsContact O-CG2 3.29Å; L41-V45 WeakPolarHBondContact O-CG2 3.29Å; L41-V45 PolarHBondContact O-N 2.77Å; L42-V45 PolarHBondContact O-N 2.79Å; L43-V45 VanDerWaalsContact C-N 3.34Å; V45-L47 VanDerWaalsContact C-N 3.31Å; V45-L47 PolarHBondContact O-N 3.09Å; V45-V48 PolarHBondContact O-N 2.75Å; V45-V49 HydrophobicContact CG1-CG2 4.32Å; V45-V49 WeakPolarHBondContact O-CB 3.27Å; V45-V49 VanDerWaalsContact O-CG2 3.27Å; V45-V49 WeakPolarHBondContact O-CG2 3.05Å; V45-V49 PolarHBondContact O-N 3.37Å
46I94.9Very high92.6Very high80 Ų8097 Ų9741%0.4150%0.499SS..Hα-helixtrans-59.5-43.1175.3-70.3176.8000110.8L42 L43 V49 N50L42-I46 HydrophobicContact CD2-CD1 3.43Å; L42-I46 VanDerWaalsContact CD2-CD1 3.43Å; L42-I46 HydrophobicContact CD2-CG1 4.14Å; L42-I46 WeakPolarHBondContact O-CG1 3.47Å; L42-I46 PolarHBondContact O-N 2.8Å; L43-I46 PolarHBondContact O-N 3.06Å; I46-V49 PolarHBondContact O-N 3.11Å; I46-N50 VanDerWaalsContact CG2-ND2 3.32Å; I46-N50 WeakPolarHBondContact CG2-ND2 3.44Å; I46-N50 VanDerWaalsContact O-CB 3.29Å; I46-N50 WeakPolarHBondContact O-CB 3.47Å; I46-N50 VanDerWaalsContact O-CG 3.23Å; I46-N50 PolarHBondContact O-N 3.5Å; I46-N50 PolarHBondContact O-ND2 3.21Å
47L95.9Very high92.7Very high115 Ų11595.8 Ų95.860%0.60249%0.492SS*.Hα-helixtrans-60.5-48.8177.2-173.1162.3000111L43 I44 V45 N50 F51L43-L47 WeakPolarHBondContact O-CB 3.36Å; L43-L47 PolarHBondContact O-N 2.97Å; I44-L47 WeakPolarHBondContact O-CB 3.47Å; I44-L47 PolarHBondContact O-N 3.22Å; V45-L47 VanDerWaalsContact C-N 3.31Å; V45-L47 PolarHBondContact O-N 3.09Å; L47-N50 PolarHBondContact O-N 2.8Å; L47-F51 VanDerWaalsContact O-CB 3.29Å; L47-F51 WeakPolarHBondContact O-CB 3.47Å; L47-F51 PolarHBondContact O-N 2.79Å
48V96.3Very high92.6Very high86 Ų8692.6 Ų92.652%0.52149%0.485SS..Hα-helixtrans-63.9-42.2180172.10000111.1I44 V45 F51 A52I44-V48 HydrophobicContact CG2-CG2 4.32Å; I44-V48 VanDerWaalsContact O-CG2 3.29Å; I44-V48 WeakPolarHBondContact O-CG2 3.5Å; I44-V48 PolarHBondContact O-N 2.85Å; V45-V48 PolarHBondContact O-N 2.75Å; V48-F51 PolarHBondContact O-N 2.79Å; V48-A52 WeakPolarHBondContact O-CB 3.34Å; V48-A52 PolarHBondContact O-N 2.79Å
49V96.4Very high92.2Very high85 Ų8597 Ų9752%0.51549%0.494SS..Hα-helixtrans-63.3-46.8176170.30000110.7V45 I46 F51 A52 L53V45-V49 HydrophobicContact CG1-CG2 4.32Å; V45-V49 WeakPolarHBondContact O-CB 3.27Å; V45-V49 VanDerWaalsContact O-CG2 3.27Å; V45-V49 WeakPolarHBondContact O-CG2 3.05Å; V45-V49 PolarHBondContact O-N 3.37Å; I46-V49 PolarHBondContact O-N 3.11Å; V49-F51 VanDerWaalsContact C-N 3.31Å; V49-F51 PolarHBondContact O-N 2.86Å; V49-A52 PolarHBondContact O-N 3.17Å; V49-L53 VanDerWaalsContact O-CB 3.29Å; V49-L53 WeakPolarHBondContact O-CB 3.36Å; V49-L53 PolarHBondContact O-N 3.49Å
50N94Very high91.8Very high86 Ų8695.2 Ų95.246%0.4649%0.493SS..Hα-helixtrans-62.3-39.9177.1-75.3-29.6000111.5I46 L47 L53 T54I46-N50 VanDerWaalsContact CG2-ND2 3.32Å; I46-N50 WeakPolarHBondContact CG2-ND2 3.44Å; I46-N50 VanDerWaalsContact O-CB 3.29Å; I46-N50 WeakPolarHBondContact O-CB 3.47Å; I46-N50 VanDerWaalsContact O-CG 3.23Å; I46-N50 PolarHBondContact O-N 3.5Å; I46-N50 PolarHBondContact O-ND2 3.21Å; L47-N50 PolarHBondContact O-N 2.8Å; N50-L53 PolarHBondContact O-N 3.28Å; N50-T54 WeakPolarHBondContact O-CG2 3.19Å; N50-T54 PolarHBondContact O-N 3.2Å; N50-T54 PolarHBondContact O-OG1 2.84Å
51F95.1Very high90.8Very high130 Ų13097.3 Ų97.357%0.5750%0.5SS*.Hα-helixtrans-68.6-39.2177.3-171.8-103.6000112.6L47 V48 V49 L53 T54 I55L47-F51 VanDerWaalsContact O-CB 3.29Å; L47-F51 WeakPolarHBondContact O-CB 3.47Å; L47-F51 PolarHBondContact O-N 2.79Å; V48-F51 PolarHBondContact O-N 2.79Å; V49-F51 VanDerWaalsContact C-N 3.31Å; V49-F51 PolarHBondContact O-N 2.86Å; F51-L53 VanDerWaalsContact C-N 3.35Å; F51-T54 WeakPolarHBondContact CA-OG1 3.17Å; F51-T54 PolarHBondContact O-N 2.77Å; F51-T54 PolarHBondContact O-OG1 2.85Å; F51-I55 HydrophobicContact CD1-CD1 3.74Å; F51-I55 HydrophobicContact CE1-CD1 3.29Å; F51-I55 HydrophobicContact CE1-CG1 4.33Å; F51-I55 HydrophobicContact CZ-CD1 3.74Å; F51-I55 HydrophobicContact CZ-CG1 4.46Å; F51-I55 WeakPolarHBondContact O-CG1 3.39Å; F51-I55 PolarHBondContact O-N 3.24Å; F51-I55 VanDerWaalsContact O-N 3.07Å
52A94.1Very high89.6Confident56 Ų56101.6 Ų101.646%0.46351%0.509SS..Hα-helixtrans-65.7-40.617300000111.2V48 V49 I55 W56V48-A52 WeakPolarHBondContact O-CB 3.34Å; V48-A52 PolarHBondContact O-N 2.79Å; V49-A52 PolarHBondContact O-N 3.17Å; A52-I55 PolarHBondContact O-N 3.49Å; A52-W56 WeakPolarHBondContact O-CB 3.03Å; A52-W56 PolarHBondContact O-N 2.82Å
53L93.6Very high88.2Confident83 Ų83101.5 Ų101.544%0.43551%0.505SS..Hα-helixtrans-62.9-43.8176-168.488.1000111.3V49 N50 F51 W56 I57V49-L53 VanDerWaalsContact O-CB 3.29Å; V49-L53 WeakPolarHBondContact O-CB 3.36Å; V49-L53 PolarHBondContact O-N 3.49Å; N50-L53 PolarHBondContact O-N 3.28Å; F51-L53 VanDerWaalsContact C-N 3.35Å; L53-W56 HydrophobicContact CD1-CE3 4.34Å; L53-W56 PolarHBondContact O-N 3.32Å; L53-I57 HydrophobicContact CD2-CD1 4.11Å; L53-I57 HydrophobicContact CG-CD1 4.01Å; L53-I57 VanDerWaalsContact O-CG1 3.29Å; L53-I57 WeakPolarHBondContact O-CG1 3.23Å; L53-I57 PolarHBondContact O-N 3.36Å
54T89.9Confident86.8Confident69 Ų69103.2 Ų103.242%0.42352%0.515SS..Hα-helixtrans-64.4-44.5177.553.60000111.5N50 F51 W56 I57 L58N50-T54 WeakPolarHBondContact O-CG2 3.19Å; N50-T54 PolarHBondContact O-N 3.2Å; N50-T54 PolarHBondContact O-OG1 2.84Å; F51-T54 WeakPolarHBondContact CA-OG1 3.17Å; F51-T54 PolarHBondContact O-N 2.77Å; F51-T54 PolarHBondContact O-OG1 2.85Å; T54-W56 VanDerWaalsContact C-N 3.28Å; T54-W56 PolarHBondContact O-N 2.96Å; T54-I57 PolarHBondContact O-N 3.25Å; T54-L58 WeakPolarHBondContact O-CB 3.19Å; T54-L58 VanDerWaalsContact O-CG 3.24Å; T54-L58 WeakPolarHBondContact O-CG 3.23Å; T54-L58 PolarHBondContact O-N 3.29Å
55I88.8Confident85.3Confident87 Ų87103.7 Ų103.745%0.44653%0.533SS..Hα-helixtrans-60.3-41.5174.6-69.6171.9000110.9F51 A52 L58 R59F51-I55 HydrophobicContact CD1-CD1 3.74Å; F51-I55 HydrophobicContact CE1-CD1 3.29Å; F51-I55 HydrophobicContact CE1-CG1 4.33Å; F51-I55 HydrophobicContact CZ-CD1 3.74Å; F51-I55 HydrophobicContact CZ-CG1 4.46Å; F51-I55 WeakPolarHBondContact O-CG1 3.39Å; F51-I55 PolarHBondContact O-N 3.24Å; F51-I55 VanDerWaalsContact O-N 3.07Å; A52-I55 PolarHBondContact O-N 3.49Å; I55-L58 PolarHBondContact O-N 3Å; I55-R59 WeakPolarHBondContact O-CB 3.35Å; I55-R59 PolarHBondContact O-N 3.33Å
56W89.6Confident83.6Confident161 Ų161106.2 Ų106.261%0.6154%0.54SS*.Hα-helixtrans-64.7-45.4178.1-179.667.3000112.2A52 L53 T54 L58 R59 V60A52-W56 WeakPolarHBondContact O-CB 3.03Å; A52-W56 PolarHBondContact O-N 2.82Å; L53-W56 HydrophobicContact CD1-CE3 4.34Å; L53-W56 PolarHBondContact O-N 3.32Å; T54-W56 VanDerWaalsContact C-N 3.28Å; T54-W56 PolarHBondContact O-N 2.96Å; W56-L58 PolarHBondContact O-N 2.69Å; W56-R59 PolarHBondContact O-N 2.58Å; W56-V60 HydrophobicContact CD2-CG2 4.24Å; W56-V60 HydrophobicContact CG-CG2 4.46Å; W56-V60 HydrophobicContact CZ2-CG2 4.11Å; W56-V60 WeakPolarHBondContact O-CG2 3.38Å; W56-V60 PolarHBondContact O-N 3.35Å
57I87.5Confident82Confident75 Ų75103.3 Ų103.339%0.38553%0.53SS..Hα-helixtrans-59.8-46.1174.7-69.5165.7000110.3L53 T54 R59 V60 M61L53-I57 HydrophobicContact CD2-CD1 4.11Å; L53-I57 HydrophobicContact CG-CD1 4.01Å; L53-I57 VanDerWaalsContact O-CG1 3.29Å; L53-I57 WeakPolarHBondContact O-CG1 3.23Å; L53-I57 PolarHBondContact O-N 3.36Å; T54-I57 PolarHBondContact O-N 3.25Å; I57-R59 VanDerWaalsContact C-N 3.27Å; I57-R59 PolarHBondContact O-N 3.15Å; I57-V60 PolarHBondContact O-N 3.22Å; I57-M61 HydrophobicContact CG2-CG 3.97Å; I57-M61 WeakPolarHBondContact O-CB 3.29Å; I57-M61 WeakPolarHBondContact O-CG 3.15Å; I57-M61 PolarHBondContact O-N 2.68Å
58L82.1Confident80.5Confident90 Ų90104.1 Ų104.147%0.47153%0.532SS..Hα-helixtrans-59.1-40.6178.3-71.7172.6000111.9T54 I55 W56 W62 F63T54-L58 WeakPolarHBondContact O-CB 3.19Å; T54-L58 VanDerWaalsContact O-CG 3.24Å; T54-L58 WeakPolarHBondContact O-CG 3.23Å; T54-L58 PolarHBondContact O-N 3.29Å; I55-L58 PolarHBondContact O-N 3Å; W56-L58 PolarHBondContact O-N 2.69Å; L58-W62 PolarHBondContact O-N 3.22Å; L58-F63 HydrophobicContact CD2-CB 4.16Å; L58-F63 HydrophobicContact CD2-CD2 3.73Å; L58-F63 HydrophobicContact CD2-CE2 4.44Å; L58-F63 HydrophobicContact CD2-CG 4.16Å; L58-F63 PolarHBondContact O-N 3.37Å; L58-F63 VanDerWaalsContact O-N 3.16Å
59R81.1Confident79.2Confident205 Ų205101.8 Ų101.877%0.77453%0.525SS*.Hα-helixtrans-69.2-42.8177.1-171.7-179-177.2167.22.5112.9I55 W56 I57 W62I55-R59 WeakPolarHBondContact O-CB 3.35Å; I55-R59 PolarHBondContact O-N 3.33Å; W56-R59 PolarHBondContact O-N 2.58Å; I57-R59 VanDerWaalsContact C-N 3.27Å; I57-R59 PolarHBondContact O-N 3.15Å; R59-W62 PolarHBondContact O-N 2.74Å
60V81.9Confident78.1Confident83 Ų83101.8 Ų101.850%0.50352%0.522SS..Hα-helixtrans-69.6-35.3179.5169.90000111.5W56 I57 W62W56-V60 HydrophobicContact CD2-CG2 4.24Å; W56-V60 HydrophobicContact CG-CG2 4.46Å; W56-V60 HydrophobicContact CZ2-CG2 4.11Å; W56-V60 WeakPolarHBondContact O-CG2 3.38Å; W56-V60 PolarHBondContact O-N 3.35Å; I57-V60 PolarHBondContact O-N 3.22Å; V60-W62 PolarHBondContact O-N 3.21Å
61M72.4Confident77.3Confident106 Ų10699.8 Ų99.852%0.52251%0.511SS..THydrogen-bonded Turntrans-78.95.8177.8-69.4-88.4-65.500113.4I57 F63I57-M61 HydrophobicContact CG2-CG 3.97Å; I57-M61 WeakPolarHBondContact O-CB 3.29Å; I57-M61 WeakPolarHBondContact O-CG 3.15Å; I57-M61 PolarHBondContact O-N 2.68Å; M61-F63 HydrophobicContact CB-CD2 3.38Å; M61-F63 HydrophobicContact CB-CE2 3.38Å; M61-F63 HydrophobicContact CB-CG 4.42Å; M61-F63 HydrophobicContact CB-CZ 4.42Å; M61-F63 HydrophobicContact CE-CE2 3.46Å; M61-F63 VanDerWaalsContact CE-CE2 3.46Å; M61-F63 HydrophobicContact CE-CZ 3.69Å; M61-F63 HydrophobicContact CG-CD2 4.32Å; M61-F63 HydrophobicContact CG-CE2 3.94Å; M61-F63 PolarHBondContact O-N 2.84Å; M61-F63 VanDerWaalsContact O-N 3.12Å
62W67.4Low76.5Confident198 Ų19896 Ų9675%0.7550%0.495SS*.THydrogen-bonded Turntrans50.436.8-179-65.277.4000113.2L58 R59 V60 N64 G69L58-W62 PolarHBondContact O-N 3.22Å; R59-W62 PolarHBondContact O-N 2.74Å; V60-W62 PolarHBondContact O-N 3.21Å; W62-N64 PolarHBondContact O-N 2.86Å; W62-N64 VanDerWaalsContact O-N 3.15Å; W62-G69 PolarHBondContact O-N 2.82Å
63F65.9Low75.8Confident79 Ų7998.4 Ų98.435%0.34650%0.504SS..EExtended strand (participates in β ladder)trans-74.5105.9171.8-76.1-68.7000108.6L58 M61 M68L58-F63 HydrophobicContact CD2-CB 4.16Å; L58-F63 HydrophobicContact CD2-CD2 3.73Å; L58-F63 HydrophobicContact CD2-CE2 4.44Å; L58-F63 HydrophobicContact CD2-CG 4.16Å; L58-F63 PolarHBondContact O-N 3.37Å; L58-F63 VanDerWaalsContact O-N 3.16Å; M61-F63 HydrophobicContact CB-CD2 3.38Å; M61-F63 HydrophobicContact CB-CE2 3.38Å; M61-F63 HydrophobicContact CB-CG 4.42Å; M61-F63 HydrophobicContact CB-CZ 4.42Å; M61-F63 HydrophobicContact CE-CE2 3.46Å; M61-F63 VanDerWaalsContact CE-CE2 3.46Å; M61-F63 HydrophobicContact CE-CZ 3.69Å; M61-F63 HydrophobicContact CG-CD2 4.32Å; M61-F63 HydrophobicContact CG-CE2 3.94Å; M61-F63 PolarHBondContact O-N 2.84Å; M61-F63 VanDerWaalsContact O-N 3.12Å; F63-M68 HydrophobicContact CD1-CB 4.22Å; F63-M68 HydrophobicContact CD1-CG 4.06Å; F63-M68 HydrophobicContact CE1-CB 3.94Å; F63-M68 HydrophobicContact CE1-CE 3.89Å; F63-M68 HydrophobicContact CE1-CG 3.42Å; F63-M68 VanDerWaalsContact CE1-CG 3.42Å; F63-M68 HydrophobicContact CE1-SD 3.9Å; F63-M68 HydrophobicContact CZ-CG 4.1Å; F63-M68 HydrophobicContact CZ-SD 4.24Å
64N63Low75.2Confident118 Ų11897.9 Ų97.963%0.63150%0.499SS*.EExtended strand (participates in β ladder)trans-102.3163.1173.2-147.80.3000109.6W62 E66 G67W62-N64 PolarHBondContact O-N 2.86Å; W62-N64 VanDerWaalsContact O-N 3.15Å; N64-E66 PolarHBondContact O-N 2.92Å; N64-G67 PolarHBondContact N-O 2.89Å; N64-G67 VanDerWaalsContact N-O 3.14Å; N64-G67 PolarHBondContact O-N 3.12Å
65A64.6Low74.7Confident108 Ų108100.8 Ų100.889%0.89352%0.519SS*.THydrogen-bonded Turntrans-60.8-15.1177.400000113.2
66E61.6Low74.2Confident130 Ų130104.3 Ų104.361%0.60754%0.539SS*.THydrogen-bonded Turntrans-99-14.5-177.2-64.7173.7171.300113.9N64N64-E66 PolarHBondContact O-N 2.92Å
67G60.3Low73.8Confident19 Ų1998.3 Ų98.320%0.19653%0.527CS..EExtended strand (participates in β ladder)trans168.1174.8-177.500000116.4N64N64-G67 PolarHBondContact N-O 2.89Å; N64-G67 VanDerWaalsContact N-O 3.14Å; N64-G67 PolarHBondContact O-N 3.12Å
68M64.9Low73.7Confident132 Ų13299.3 Ų99.365%0.6554%0.536SS*.EExtended strand (participates in β ladder)trans-96.4104.1176.1-176.7179.9-34.800109F63F63-M68 HydrophobicContact CD1-CB 4.22Å; F63-M68 HydrophobicContact CD1-CG 4.06Å; F63-M68 HydrophobicContact CE1-CB 3.94Å; F63-M68 HydrophobicContact CE1-CE 3.89Å; F63-M68 HydrophobicContact CE1-CG 3.42Å; F63-M68 VanDerWaalsContact CE1-CG 3.42Å; F63-M68 HydrophobicContact CE1-SD 3.9Å; F63-M68 HydrophobicContact CZ-CG 4.1Å; F63-M68 HydrophobicContact CZ-SD 4.24Å
69G69Low73.8Confident37 Ų3799.4 Ų99.438%0.38153%0.533SS..THydrogen-bonded Turntrans72.5-151.3179.700000113.5W62 L71W62-G69 PolarHBondContact O-N 2.82Å; G69-L71 PolarHBondContact O-N 3.35Å
70L73.6Confident73.9Confident85 Ų8592.8 Ų92.845%0.44551%0.512SS..THydrogen-bonded Turntrans-74.5-14.7-177.6-61.3171.6000113.2Q72 L80 E82 E84L70-Q72 PolarHBondContact O-N 3.33Å; L70-L80 HydrophobicContact CB-CD1 3.68Å; L70-L80 WeakPolarHBondContact O-CD1 3.25Å; L70-E82 WeakPolarHBondContact CB-O 3.43Å; L70-E82 WeakPolarHBondContact CD2-O 3.41Å; L70-E84 WeakPolarHBondContact CD1-O 3.3Å
71L76.4Confident73.7Confident45 Ų4591 Ų9124%0.23650%0.5CS..EExtended strand (participates in β ladder)trans-90.8103.5-177.9-153.185.6000109.3G69 V78 L80 F87G69-L71 PolarHBondContact O-N 3.35Å; L71-V78 HydrophobicContact CD1-CG1 3.94Å; L71-V78 HydrophobicContact CD2-CG1 3.21Å; L71-V78 HydrophobicContact CG-CG1 3.29Å; L71-L80 HydrophobicContact CD1-CB 4.2Å; L71-L80 HydrophobicContact CD1-CD1 4.29Å; L71-F87 HydrophobicContact CD1-CZ 4Å; L71-F87 HydrophobicContact CD2-CE1 4.14Å; L71-F87 HydrophobicContact CD2-CZ 4.27Å
72Q78.1Confident73.8Confident51 Ų5193.4 Ų93.424%0.23851%0.51CS..EExtended strand (participates in β ladder)trans-88.9140.8-178.7-60.1-169.17.500110.9L70 K79L70-Q72 PolarHBondContact O-N 3.33Å; Q72-K79 PolarHBondContact N-O 3.15Å; Q72-K79 PolarHBondContact O-N 3.32Å
73V80.6Confident74.3Confident105 Ų10586.7 Ų86.764%0.63650%0.502SS*.EExtended strand (participates in β ladder)trans-99.6106.6178.5-175.80000108.2
74H80.1Confident75.1Confident73 Ų7391.2 Ų91.234%0.33852%0.524SS..EExtended strand (participates in β ladder)trans-97.2160.3172.5-71.9-68.2000110.6D76 G77 D81H74-D76 PolarHBondContact O-N 2.86Å; H74-G77 CarbonylContact C-O 3.51Å; H74-G77 WeakPolarHBondContact CA-O 3.4Å; H74-G77 PolarHBondContact N-O 3.11Å; H74-G77 PolarHBondContact O-N 3.16Å; H74-G77 VanDerWaalsContact O-N 3.09Å; H74-D81 IonicContact NE2-OD2 3.74Å
75P79.5Confident76Confident129 Ų12987.6 Ų87.684%0.83851%0.508SS*.THydrogen-bonded Turntrans-58.6-28.3174.121.5-32.2000113.2
76D78.9Confident77Confident162 Ų16291.1 Ų91.187%0.86651%0.506SS*.THydrogen-bonded Turntrans-85.3-7.7179.5-56.1-41.5000113.4H74H74-D76 PolarHBondContact O-N 2.86Å
77G82.1Confident78.1Confident34 Ų3490.5 Ų90.535%0.35150%0.502SS..EExtended strand (participates in β ladder)trans143.4-161.7-179.300000113.7H74H74-G77 CarbonylContact C-O 3.51Å; H74-G77 WeakPolarHBondContact CA-O 3.4Å; H74-G77 PolarHBondContact N-O 3.11Å; H74-G77 PolarHBondContact O-N 3.16Å; H74-G77 VanDerWaalsContact O-N 3.09Å
78V84.6Confident79.2Confident96 Ų9697.4 Ų97.458%0.58253%0.533SS*.EExtended strand (participates in β ladder)trans-103.4123.8-176.6179.60000109L71L71-V78 HydrophobicContact CD1-CG1 3.94Å; L71-V78 HydrophobicContact CD2-CG1 3.21Å; L71-V78 HydrophobicContact CG-CG1 3.29Å
79K84.3Confident80.3Confident92 Ų9299.1 Ų99.140%0.454%0.537SS..EExtended strand (participates in β ladder)trans-122.7137.6-173.3-163.5-174.9-177-150.20111.2Q72 D81Q72-K79 PolarHBondContact N-O 3.15Å; Q72-K79 PolarHBondContact O-N 3.32Å; K79-D81 WeakPolarHBondContact CD-OD1 3.47Å; K79-D81 WeakPolarHBondContact CE-OD1 3.47Å; K79-D81 IonicContact NZ-OD1 3.76Å; K79-D81 PolarHBondContact NZ-OD1 2.82Å; K79-D81 IonicContact NZ-OD2 2.69Å
80L83.7Confident81.2Confident67 Ų67101.9 Ų101.935%0.35155%0.549SS..EExtended strand (participates in β ladder)trans-104.7104.4171-17462.1000108L70 L71 G83L70-L80 HydrophobicContact CB-CD1 3.68Å; L70-L80 WeakPolarHBondContact O-CD1 3.25Å; L71-L80 HydrophobicContact CD1-CB 4.2Å; L71-L80 HydrophobicContact CD1-CD1 4.29Å; L80-G83 WeakPolarHBondContact CD2-O 3.47Å
81D76.3Confident81.9Confident44 Ų44102.1 Ų102.124%0.23555%0.553CS.*  trans-85-40.6-177.5-83.6-44.6000112.9H74 K79 R99H74-D81 IonicContact NE2-OD2 3.74Å; K79-D81 WeakPolarHBondContact CD-OD1 3.47Å; K79-D81 WeakPolarHBondContact CE-OD1 3.47Å; K79-D81 IonicContact NZ-OD1 3.76Å; K79-D81 PolarHBondContact NZ-OD1 2.82Å; K79-D81 IonicContact NZ-OD2 2.69Å; D81-R99 PolarHBondContact O-NH2 2.87Å; D81-R99 IonicContact OD1-NH2 3.79Å
82E74.9Confident82.4Confident158 Ų158107.7 Ų107.774%0.73857%0.572SS**SBendtrans-141.4135.1-177.9-65.4-175.7178.500110.9L70L70-E82 WeakPolarHBondContact CB-O 3.43Å; L70-E82 WeakPolarHBondContact CD2-O 3.41Å
83G78.3Confident82.9Confident57 Ų57108.1 Ų108.159%0.58859%0.585SS**SBendtrans87.3-165.7173.400000115.3L80L80-G83 WeakPolarHBondContact CD2-O 3.47Å
84E82.2Confident83.1Confident174 Ų174112.3 Ų112.381%0.81360%0.597SS**  trans-111.8140-176.5-64.2178178.500109.5L70L70-E84 WeakPolarHBondContact CD1-O 3.3Å
85S82.8Confident83.4Confident41 Ų41116.1 Ų116.129%0.28762%0.615SS.*  trans-116.8127.3176.1-175.90000109.8
86E84.8Confident83.7Confident183 Ų183115.3 Ų115.386%0.85560%0.603SS**  trans-96.7135.7176-65.4-175.8175.400110.5
87F84.4Confident84.1Confident117 Ų117114.9 Ų114.951%0.51360%0.595SS.*  trans-117.7121.9178.4-61.3-83.6000109.8L71 V91L71-F87 HydrophobicContact CD1-CZ 4Å; L71-F87 HydrophobicContact CD2-CE1 4.14Å; L71-F87 HydrophobicContact CD2-CZ 4.27Å; F87-V91 HydrophobicContact CB-CG2 3.93Å; F87-V91 HydrophobicContact CD1-CG2 3.45Å; F87-V91 VanDerWaalsContact CD1-CG2 3.45Å; F87-V91 HydrophobicContact CD2-CG2 3.99Å; F87-V91 HydrophobicContact CE1-CG2 3.88Å; F87-V91 HydrophobicContact CE2-CG2 4.37Å; F87-V91 HydrophobicContact CG-CG2 3.5Å; F87-V91 HydrophobicContact CZ-CG2 4.31Å
88L84.8Confident84.3Confident164 Ų164115.3 Ų115.386%0.85959%0.593SS**SBendtrans-79.5-22.4175.4-63.5175.6000112.7
89F86.4Confident84.2Confident168 Ų168117.5 Ų117.574%0.73759%0.591SS**SBendtrans-124.3158.1-175.8-64.1-73000111V91F89-V91 PolarHBondContact O-N 2.82Å
90P87.5Confident83.9Confident95 Ų95122.3 Ų122.362%0.61762%0.615SS**  trans-57.1131.8177.4-23.133.2000111.9Y92P90-Y92 HydrophobicContact CB-CE2 3.97Å; P90-Y92 WeakPolarHBondContact O-CD2 3.36Å; P90-Y92 WeakPolarHBondContact O-CE2 3.41Å
91V88.3Confident83.7Confident90 Ų90126.7 Ų126.755%0.54564%0.638SS.*  trans-89130.5175-178.50000109F87 F89F87-V91 HydrophobicContact CB-CG2 3.93Å; F87-V91 HydrophobicContact CD1-CG2 3.45Å; F87-V91 VanDerWaalsContact CD1-CG2 3.45Å; F87-V91 HydrophobicContact CD2-CG2 3.99Å; F87-V91 HydrophobicContact CE1-CG2 3.88Å; F87-V91 HydrophobicContact CE2-CG2 4.37Å; F87-V91 HydrophobicContact CG-CG2 3.5Å; F87-V91 HydrophobicContact CZ-CG2 4.31Å; F89-V91 PolarHBondContact O-N 2.82Å
92Y87.6Confident84Confident162 Ų162127.8 Ų127.864%0.63565%0.647SS**  trans-111.2119.5175.4-62.8-90000108.4P90 R117P90-Y92 HydrophobicContact CB-CE2 3.97Å; P90-Y92 WeakPolarHBondContact O-CD2 3.36Å; P90-Y92 WeakPolarHBondContact O-CE2 3.41Å; Y92-R117 PolarHBondContact OH-NH2 3.09Å
93A88Confident84.4Confident60 Ų60125.3 Ų125.350%0.49665%0.645SS.*  trans-139.5148.1177.500000109I96A93-I96 HydrophobicContact CB-CD1 4.44Å; A93-I96 HydrophobicContact CB-CG1 3.87Å
94Q85.3Confident84.9Confident193 Ų193127.4 Ų127.490%0.90264%0.642SS**SBendtrans-73.7-42.7172.8-174.5176.1-0.200110.4
95E85.8Confident85.1Confident152 Ų152124.6 Ų124.671%0.7164%0.636SS**  trans-135.9142.1179.9-66.5179-170.600109.4
96I87.8Confident85.4Confident113 Ų113127 Ų12758%0.57965%0.649SS**  trans-127.5114.5175-54174000106.1A93 L104A93-I96 HydrophobicContact CB-CD1 4.44Å; A93-I96 HydrophobicContact CB-CG1 3.87Å; I96-L104 HydrophobicContact CG2-CD1 4.35Å; I96-L104 HydrophobicContact CG2-CD2 3.57Å
97H86Confident85.5Confident152 Ų152126.8 Ų126.870%0.70465%0.648SS**  trans-120144.3178.257.6-92.1000109.7
98S87Confident85.6Confident44 Ų44123.9 Ų123.931%0.30864%0.642SS.*  trans-87.5167.3166.8-155.70000110.1T102 L104S98-T102 WeakPolarHBondContact CB-O 3.42Å; S98-T102 PolarHBondContact OG-O 2.77Å; S98-T102 PolarHBondContact OG-OG1 2.87Å; S98-L104 PolarHBondContact OG-N 2.85Å
99R82.8Confident85.7Confident142 Ų142121.8 Ų121.854%0.53664%0.641SS.*  trans-66.4147.6166.8-163.2-177.7-63.1-168.33109.5D81 D101 T102D81-R99 PolarHBondContact O-NH2 2.87Å; D81-R99 IonicContact OD1-NH2 3.79Å; R99-D101 PolarHBondContact O-N 2.82Å; R99-T102 VanDerWaalsContact CB-OG1 3.29Å; R99-T102 WeakPolarHBondContact CB-OG1 3.39Å; R99-T102 PolarHBondContact O-N 2.86Å; R99-T102 VanDerWaalsContact O-O 3.06Å; R99-T102 PolarHBondContact O-OG1 2.81Å
100E77.1Confident85.8Confident192 Ų192121.2 Ų121.290%0.89764%0.64SS**THydrogen-bonded Turntrans-48.1-37.3-170.9-63.5-174167.800114.4
101D80Confident85.9Confident159 Ų159121.3 Ų121.385%0.8564%0.636SS**THydrogen-bonded Turntrans-106.69.5-176.8-63.5-46.8000114.7R99R99-D101 PolarHBondContact O-N 2.82Å
102T82.8Confident86Confident68 Ų68118.7 Ų118.742%0.41762%0.62SS.*SBendtrans-127.4137.5-176.461.70000111.5S98 R99S98-T102 WeakPolarHBondContact CB-O 3.42Å; S98-T102 PolarHBondContact OG-O 2.77Å; S98-T102 PolarHBondContact OG-OG1 2.87Å; R99-T102 VanDerWaalsContact CB-OG1 3.29Å; R99-T102 WeakPolarHBondContact CB-OG1 3.39Å; R99-T102 PolarHBondContact O-N 2.86Å; R99-T102 VanDerWaalsContact O-O 3.06Å; R99-T102 PolarHBondContact O-OG1 2.81Å
103P83.7Confident86.1Confident106 Ų106114.1 Ų114.169%0.68861%0.612SS**  trans-71.1144.417329.6-33000110.8V105P103-V105 HydrophobicContact CB-CG2 4.46Å; P103-V105 HydrophobicContact CG-CG2 4.19Å; P103-V105 PolarHBondContact O-N 2.77Å
104L87Confident86.2Confident100 Ų100116.2 Ų116.252%0.52461%0.614SS.*  trans-73.4114166.7-179.668.3000108.3I96 S98 V106I96-L104 HydrophobicContact CG2-CD1 4.35Å; I96-L104 HydrophobicContact CG2-CD2 3.57Å; S98-L104 PolarHBondContact OG-N 2.85Å; L104-V106 HydrophobicContact CG-CG2 4.42Å
105V88Confident86.4Confident116 Ų116109.7 Ų109.770%0.70359%0.585SS**  trans-107.2126.5178.5-176.40000109.1P103P103-V105 HydrophobicContact CB-CG2 4.46Å; P103-V105 HydrophobicContact CG-CG2 4.19Å; P103-V105 PolarHBondContact O-N 2.77Å
106V88.7Confident86.6Confident92 Ų92105.1 Ų105.156%0.55857%0.573SS**  trans-119.6118.5174.2-177.30000107.7L104 V112L104-V106 HydrophobicContact CG-CG2 4.42Å; V106-V112 HydrophobicContact CG1-CG1 3.87Å; V106-V112 HydrophobicContact CG1-CG2 4.29Å
107H86.9Confident86.5Confident178 Ų178105.3 Ų105.382%0.82457%0.567SS**  trans-112133.7-180-173.4-95.9000110.3
108S87.1Confident86.6Confident55 Ų55101.1 Ų101.139%0.38555%0.55SS..  trans-145.6144.6176.5-177.10000109.7E110 V112S108-E110 WeakPolarHBondContact CB-O 3.39Å; S108-E110 PolarHBondContact OG-N 3.44Å; S108-E110 VanDerWaalsContact OG-N 3.13Å; S108-E110 PolarHBondContact OG-O 3.46Å; S108-V112 VanDerWaalsContact CB-CG2 3.48Å
109S85.9Confident86.7Confident121 Ų121108.6 Ų108.685%0.84658%0.58SS**SBendtrans-72.3-19.6169.655.60000112.6
110E88.1Confident86.9Confident155 Ų155108.1 Ų108.172%0.72459%0.588SS**SBendtrans-119.1-166.4179.9-61.1-166.1171.100110.8S108 V112S108-E110 WeakPolarHBondContact CB-O 3.39Å; S108-E110 PolarHBondContact OG-N 3.44Å; S108-E110 VanDerWaalsContact OG-N 3.13Å; S108-E110 PolarHBondContact OG-O 3.46Å; E110-V112 PolarHBondContact O-N 3.1Å
111N89.9Confident87.2Confident97 Ų97100.5 Ų100.552%0.51956%0.561SS.*  trans-66.2130.9-179.9-62.7-12.6000111.2V129 G130 P131N111-V129 WeakPolarHBondContact CA-O 3.5Å; N111-G130 VanDerWaalsContact OD1-CA 3.27Å; N111-G130 WeakPolarHBondContact OD1-CA 3.46Å; N111-P131 WeakPolarHBondContact OD1-CD 3.29Å
112V90.9Very high87.6Confident36 Ų3697.8 Ų97.822%0.21855%0.546CS..EExtended strand (participates in β ladder)trans-89122.7170.1-179.70000108V106 S108 E110 S128 V129V106-V112 HydrophobicContact CG1-CG1 3.87Å; V106-V112 HydrophobicContact CG1-CG2 4.29Å; S108-V112 VanDerWaalsContact CB-CG2 3.48Å; E110-V112 PolarHBondContact O-N 3.1Å; V112-S128 CarbonylContact O-C 3.57Å; V112-S128 VanDerWaalsContact O-CA 3.3Å; V112-S128 WeakPolarHBondContact O-CA 3.38Å; V112-V129 PolarHBondContact N-O 2.9Å; V112-V129 PolarHBondContact O-N 2.97Å
113S89.8Confident87.8Confident65 Ų6597.2 Ų97.246%0.45554%0.543SS..EExtended strand (participates in β ladder)trans-120.7126.5176.974.10000112T127S113-T127 CarbonylContact C-O 3.52Å; S113-T127 WeakPolarHBondContact CA-O 3.27Å
114L89.8Confident87.8Confident105 Ų10596.4 Ų96.455%0.5554%0.536SS..EExtended strand (participates in β ladder)trans-105.2120.5174-62.2171.2000107.9R126 T127L114-R126 WeakPolarHBondContact O-CA 3.42Å; L114-T127 PolarHBondContact N-O 3.02Å; L114-T127 PolarHBondContact O-N 2.87Å
115N90.1Very high87.8Confident55 Ų5592 Ų9229%0.29452%0.515SS..EExtended strand (participates in β ladder)trans-117.8115.3-178.3-63.5-71.6000109.9V123 G125 R126N115-V123 HydrophobicContact CB-CG1 4.13Å; N115-V123 HydrophobicContact CB-CG2 4.39Å; N115-G125 CarbonylContact C-O 3.43Å; N115-G125 WeakPolarHBondContact CA-O 3.29Å; N115-R126 WeakPolarHBondContact OD1-CG 3.45Å; N115-R126 PolarHBondContact OD1-NE 3.09Å
116A88.8Confident87.8Confident56 Ų5692.1 Ų92.146%0.46350%0.503SS..EExtended strand (participates in β ladder)trans-77.4131.2165.600000108.7V123 T124 G125A116-V123 CarbonylContact O-C 3.49Å; A116-V123 WeakPolarHBondContact O-CA 3.09Å; A116-T124 PolarHBondContact O-N 3.35Å; A116-T124 PolarHBondContact O-OG1 2.86Å; A116-G125 PolarHBondContact N-O 2.85Å; A116-G125 PolarHBondContact O-N 3.26Å
117R86.8Confident87.8Confident117 Ų11789.5 Ų89.544%0.44249%0.487SS..EExtended strand (participates in β ladder)trans-124.5146.4-178.2-65.5-179.9-177.2-12211.9110.7Y92 G121 N122 V123Y92-R117 PolarHBondContact OH-NH2 3.09Å; R117-G121 PolarHBondContact NH1-O 3.29Å; R117-G121 VanDerWaalsContact NH1-O 3.1Å; R117-N122 CarbonylContact C-O 3.53Å; R117-N122 VanDerWaalsContact CA-O 3.23Å; R117-N122 WeakPolarHBondContact CA-O 3.02Å; R117-V123 HydrophobicContact CG-CG2 4.16Å
118N87.6Confident87.9Confident64 Ų6481.7 Ų81.734%0.34245%0.452SS..  trans-82.9176170.569.86.8000111.7N120 G121 N122 T124N118-N120 PolarHBondContact O-N 2.72Å; N118-N120 VanDerWaalsContact O-N 3.12Å; N118-N120 WeakPolarHBondContact OD1-CA 3.41Å; N118-N120 WeakPolarHBondContact OD1-CB 3.42Å; N118-N120 PolarHBondContact OD1-N 2.79Å; N118-N120 VanDerWaalsContact OD1-N 3.11Å; N118-G121 PolarHBondContact O-N 2.58Å; N118-G121 PolarHBondContact OD1-N 3.04Å; N118-G121 VanDerWaalsContact OD1-N 3.16Å; N118-N122 PolarHBondContact N-O 2.04Å; N118-N122 WeakPolarHBondContact OD1-CB 3.4Å; N118-N122 PolarHBondContact OD1-N 2.96Å; N118-N122 PolarHBondContact OD1-O 3.5Å; N118-T124 HydrophobicContact CB-CG2 3.89Å
119E88.9Confident88Confident202 Ų20282.7 Ų82.794%0.94446%0.456SS*.THydrogen-bonded Turntrans-56.8-26.8178-61.8-178.5166.100113.5G121E119-G121 VanDerWaalsContact C-N 3.27Å; E119-G121 PolarHBondContact O-N 2.81Å
120N87.3Confident88.1Confident131 Ų13178 Ų7870%0.70143%0.426SS*.THydrogen-bonded Turntrans-83.5-0.1177.7-61.2-13.2000113N118 N122N118-N120 PolarHBondContact O-N 2.72Å; N118-N120 VanDerWaalsContact O-N 3.12Å; N118-N120 WeakPolarHBondContact OD1-CA 3.41Å; N118-N120 WeakPolarHBondContact OD1-CB 3.42Å; N118-N120 PolarHBondContact OD1-N 2.79Å; N118-N120 VanDerWaalsContact OD1-N 3.11Å; N120-N122 VanDerWaalsContact C-N 3.29Å; N120-N122 PolarHBondContact O-N 2.93Å
121G83.1Confident87.9Confident33 Ų3376.6 Ų76.634%0.3443%0.431SS..SBendtrans80.62.5-178.100000115.1R117 N118 E119R117-G121 PolarHBondContact NH1-O 3.29Å; R117-G121 VanDerWaalsContact NH1-O 3.1Å; N118-G121 PolarHBondContact O-N 2.58Å; N118-G121 PolarHBondContact OD1-N 3.04Å; N118-G121 VanDerWaalsContact OD1-N 3.16Å; E119-G121 VanDerWaalsContact C-N 3.27Å; E119-G121 PolarHBondContact O-N 2.81Å
122N87.5Confident87.5Confident101 Ų10181.7 Ų81.754%0.5445%0.448SS..  trans-76138177-64.6-22.9000110.3R117 N118 N120 T124R117-N122 CarbonylContact C-O 3.53Å; R117-N122 VanDerWaalsContact CA-O 3.23Å; R117-N122 WeakPolarHBondContact CA-O 3.02Å; N118-N122 PolarHBondContact N-O 2.04Å; N118-N122 WeakPolarHBondContact OD1-CB 3.4Å; N118-N122 PolarHBondContact OD1-N 2.96Å; N118-N122 PolarHBondContact OD1-O 3.5Å; N120-N122 VanDerWaalsContact C-N 3.29Å; N120-N122 PolarHBondContact O-N 2.93Å; N122-T124 PolarHBondContact O-N 3.48Å
123V86.9Confident87.2Confident56 Ų5686.3 Ų86.334%0.33947%0.467SS..EExtended strand (participates in β ladder)trans-75117.1179.2-178.80000109.4N115 A116 R117 G125 R126N115-V123 HydrophobicContact CB-CG1 4.13Å; N115-V123 HydrophobicContact CB-CG2 4.39Å; A116-V123 CarbonylContact O-C 3.49Å; A116-V123 WeakPolarHBondContact O-CA 3.09Å; R117-V123 HydrophobicContact CG-CG2 4.16Å; V123-G125 WeakPolarHBondContact CG1-O 3.46Å; V123-R126 HydrophobicContact CG1-CB 4.39Å
124T85.7Confident86.9Confident89 Ų8986.9 Ų86.955%0.54648%0.476SS..EExtended strand (participates in β ladder)trans-93.9-26.3177.452.90000112.4A116 N118 N122A116-T124 PolarHBondContact O-N 3.35Å; A116-T124 PolarHBondContact O-OG1 2.86Å; N118-T124 HydrophobicContact CB-CG2 3.89Å; N122-T124 PolarHBondContact O-N 3.48Å
125G86.8Confident86.6Confident8 Ų885.9 Ų85.98%0.08247%0.469CS..EExtended strand (participates in β ladder)trans-150.1144.4177.100000111.6N115 A116 V123 H137N115-G125 CarbonylContact C-O 3.43Å; N115-G125 WeakPolarHBondContact CA-O 3.29Å; A116-G125 PolarHBondContact N-O 2.85Å; A116-G125 PolarHBondContact O-N 3.26Å; V123-G125 WeakPolarHBondContact CG1-O 3.46Å; G125-H137 CarbonylContact C-O 3.5Å; G125-H137 VanDerWaalsContact CA-O 3.25Å; G125-H137 WeakPolarHBondContact CA-O 3.42Å
126R87.3Confident86.2Confident119 Ų11985.4 Ų85.445%0.44948%0.477SS..EExtended strand (participates in β ladder)trans-135.4119.4178.4178175.7-66.8159.22.3110.9L114 N115 V123 H137L114-R126 WeakPolarHBondContact O-CA 3.42Å; N115-R126 WeakPolarHBondContact OD1-CG 3.45Å; N115-R126 PolarHBondContact OD1-NE 3.09Å; V123-R126 HydrophobicContact CG1-CB 4.39Å; R126-H137 PolarHBondContact N-O 2.86Å; R126-H137 PolarHBondContact O-N 3.4Å
127T87.9Confident85.7Confident37 Ų3788.7 Ų88.723%0.22748%0.483CS..EExtended strand (participates in β ladder)trans-111.1121.7169-56.30000108.3S113 L114 Q135 M141S113-T127 CarbonylContact C-O 3.52Å; S113-T127 WeakPolarHBondContact CA-O 3.27Å; L114-T127 PolarHBondContact N-O 3.02Å; L114-T127 PolarHBondContact O-N 2.87Å; T127-Q135 CarbonylContact C-O 3.55Å; T127-Q135 WeakPolarHBondContact CA-O 3.35Å; T127-M141 HydrophobicContact CG2-CE 4.47Å
128S88.8Confident85.2Confident13 Ų1385.5 Ų85.59%0.09148%0.476CS..EExtended strand (participates in β ladder)trans-123.7127.4-179.3-175.30000109.5V112 A134 Q135V112-S128 CarbonylContact O-C 3.57Å; V112-S128 VanDerWaalsContact O-CA 3.3Å; V112-S128 WeakPolarHBondContact O-CA 3.38Å; S128-A134 WeakPolarHBondContact O-CA 3.49Å; S128-Q135 PolarHBondContact N-O 3.14Å; S128-Q135 PolarHBondContact O-N 3.15Å
129V90.7Very high84.6Confident77 Ų7790.1 Ų90.147%0.46750%0.495SS..EExtended strand (participates in β ladder)trans-112.2117.4176.3-176.50000107.9N111 V112 A134N111-V129 WeakPolarHBondContact CA-O 3.5Å; V112-V129 PolarHBondContact N-O 2.9Å; V112-V129 PolarHBondContact O-N 2.97Å; V129-A134 HydrophobicContact CG1-CB 4.37Å; V129-A134 HydrophobicContact CG2-CB 4.15Å
130G87.9Confident84.1Confident21 Ų2184.2 Ų84.222%0.21648%0.476CS..  trans-112.7-178.9174.700000112N111 K132 E133N111-G130 VanDerWaalsContact OD1-CA 3.27Å; N111-G130 WeakPolarHBondContact OD1-CA 3.46Å; G130-K132 VanDerWaalsContact C-N 3.26Å; G130-K132 PolarHBondContact O-N 3.08Å; G130-E133 PolarHBondContact N-O 3.35Å
131P83.7Confident83.6Confident127 Ų12780.5 Ų80.583%0.82546%0.456SS*.SBendtrans-69.8-20.1-176.125.7-34.1000114.2N111N111-P131 WeakPolarHBondContact OD1-CD 3.29Å
132K81.9Confident83.6Confident204 Ų20484.1 Ų84.189%0.88747%0.467SS*.SBendtrans-111.4-31.8-178-65.8-177-179.3178.40113.3G130G130-K132 VanDerWaalsContact C-N 3.26Å; G130-K132 PolarHBondContact O-N 3.08Å
133E83.3Confident83.4Confident132 Ų13283.7 Ų83.762%0.61746%0.464SS*.  trans-148.4151-171.166.5-171.8170.700111.4G130G130-E133 PolarHBondContact N-O 3.35Å
134A83.9Confident83.2Confident78 Ų7884.4 Ų84.465%0.64547%0.466SS*.EExtended strand (participates in β ladder)trans-113.3123.7168.500000108.2S128 V129S128-A134 WeakPolarHBondContact O-CA 3.49Å; V129-A134 HydrophobicContact CG1-CB 4.37Å; V129-A134 HydrophobicContact CG2-CB 4.15Å
135Q84.2Confident83Confident83 Ų8381.7 Ų81.739%0.38845%0.45SS..EExtended strand (participates in β ladder)trans-121128.1-177.458.7176.522.200110.5T127 S128T127-Q135 CarbonylContact C-O 3.55Å; T127-Q135 WeakPolarHBondContact CA-O 3.35Å; S128-Q135 PolarHBondContact N-O 3.14Å; S128-Q135 PolarHBondContact O-N 3.15Å
136G81.9Confident82.5Confident46 Ų4687.5 Ų87.547%0.47449%0.486SS..EExtended strand (participates in β ladder)trans-118.3117.7176.600000110.5
137H78.7Confident82.2Confident125 Ų12587.9 Ų87.958%0.57950%0.498SS*.EExtended strand (participates in β ladder)trans-107.979.2170-64.779.6000107.5G125 R126G125-H137 CarbonylContact C-O 3.5Å; G125-H137 VanDerWaalsContact CA-O 3.25Å; G125-H137 WeakPolarHBondContact CA-O 3.42Å; R126-H137 PolarHBondContact N-O 2.86Å; R126-H137 PolarHBondContact O-N 3.4Å
138T74.9Confident81.7Confident49 Ų4992.5 Ų92.530%0.30152%0.521SS..  trans-128145.3-179.158.90000109.1S140T138-S140 VanDerWaalsContact C-N 3.33Å
139H75Confident81.3Confident161 Ų16196.6 Ų96.675%0.74554%0.542SS*.SBendtrans-64-44.2176.4-163.561.8000110.9D155H139-D155 CarbonylContact O-C 3.55Å
140S79Confident80.8Confident78 Ų7895.1 Ų95.155%0.54553%0.53SS..  trans-138.5143.8172.362.30000111.1T138 A154T138-S140 VanDerWaalsContact C-N 3.33Å; S140-A154 CarbonylContact C-O 3.53Å; S140-A154 WeakPolarHBondContact CA-O 3.41Å
141M77.6Confident80.6Confident54 Ų5498.6 Ų98.627%0.26654%0.543SS..EExtended strand (participates in β ladder)trans-131123.7172.1176.5176.9-70.700107.7T127 L143 F152 S153 A154T127-M141 HydrophobicContact CG2-CE 4.47Å; M141-L143 HydrophobicContact CG-CD1 4.43Å; M141-L143 HydrophobicContact SD-CD1 4.16Å; M141-F152 HydrophobicContact CB-CE1 4.26Å; M141-F152 HydrophobicContact CG-CD1 4.16Å; M141-F152 HydrophobicContact CG-CE1 3.95Å; M141-F152 HydrophobicContact SD-CD1 4.15Å; M141-F152 HydrophobicContact SD-CE1 3.66Å; M141-S153 CarbonylContact O-C 3.53Å; M141-S153 VanDerWaalsContact O-CA 3.23Å; M141-S153 WeakPolarHBondContact O-CA 3.45Å; M141-A154 PolarHBondContact N-O 3.3Å; M141-A154 PolarHBondContact O-N 3.01Å
142L83.2Confident80.5Confident109 Ų10995.1 Ų95.157%0.57152%0.515SS*.EExtended strand (participates in β ladder)trans-123.9124.2175.6-175.471.3000108.6M150L142-M150 HydrophobicContact CD1-CG 3.69Å
143L82.6Confident80.5Confident92 Ų9287.1 Ų87.148%0.48249%0.485SS..EExtended strand (participates in β ladder)trans-117.4114.2175.8-78.2153.6000107.3M141 L151 F152M141-L143 HydrophobicContact CG-CD1 4.43Å; M141-L143 HydrophobicContact SD-CD1 4.16Å; L143-L151 WeakPolarHBondContact O-CA 3.41Å; L143-L151 WeakPolarHBondContact O-CB 3.46Å; L143-L151 PolarHBondContact O-N 3.16Å; L143-F152 HydrophobicContact CB-CB 3.96Å; L143-F152 HydrophobicContact CD1-CB 3.8Å; L143-F152 HydrophobicContact CD1-CD1 3.68Å; L143-F152 HydrophobicContact CD1-CG 3.92Å; L143-F152 HydrophobicContact CG-CB 4.48Å; L143-F152 PolarHBondContact N-O 3.38Å; L143-F152 PolarHBondContact O-N 3.22Å; L143-F152 VanDerWaalsContact O-N 3.11Å
144N83.3Confident80.4Confident71 Ų7181.8 Ų81.838%0.3846%0.463SS..EExtended strand (participates in β ladder)trans-106.6150176.2-69.7-7.8000110.4N149 M150N144-N149 CarbonylContact C-O 3.58Å; N144-N149 WeakPolarHBondContact CA-O 3.5Å; N144-M150 WeakPolarHBondContact OD1-CA 3.44Å
145S80.1Confident80Confident32 Ų3282 Ų8222%0.22445%0.454CS..  trans-68.7160.1164.7-169.20000109.7N147 D148 N149S145-N147 PolarHBondContact O-N 3.18Å; S145-D148 PolarHBondContact O-N 3.13Å; S145-N149 WeakPolarHBondContact CB-O 2.96Å; S145-N149 PolarHBondContact N-O 2.02Å
146P77.1Confident79.4Confident129 Ų12981.8 Ų81.884%0.83847%0.474SS*.THydrogen-bonded Turntrans-53.5-22.1173.1-28.336.2000114.7
147N80.3Confident78.9Confident128 Ų12887.8 Ų87.868%0.68449%0.489SS*.THydrogen-bonded Turntrans-94.623.2177.1-61.3-19.4000113.4S145 N149S145-N147 PolarHBondContact O-N 3.18Å; N147-N149 PolarHBondContact O-N 3.43Å
148D77.8Confident78.6Confident133 Ų13385.2 Ų85.271%0.71148%0.478SS*.SBendtrans59.615.1-177.5-75.5-44.3000116.2S145 M150S145-D148 PolarHBondContact O-N 3.13Å; D148-M150 PolarHBondContact O-N 3.36Å
149N81Confident78.7Confident99 Ų9985 Ų8553%0.52948%0.476SS..  trans-78.3122.7172.7-68.2-31.2000109.9N144 S145 N147 L151N144-N149 CarbonylContact C-O 3.58Å; N144-N149 WeakPolarHBondContact CA-O 3.5Å; S145-N149 WeakPolarHBondContact CB-O 2.96Å; S145-N149 PolarHBondContact N-O 2.02Å; N147-N149 PolarHBondContact O-N 3.43Å; N149-L151 PolarHBondContact O-N 3.12Å
150M79.3Confident78.8Confident46 Ų4678.4 Ų78.423%0.22745%0.448CS..EExtended strand (participates in β ladder)trans-63.9118.4177.5-175.7-81.9-7000110.7L142 N144 D148 F152 V160 P163L142-M150 HydrophobicContact CD1-CG 3.69Å; N144-M150 WeakPolarHBondContact OD1-CA 3.44Å; D148-M150 PolarHBondContact O-N 3.36Å; M150-F152 VanDerWaalsContact SD-C 3.59Å; M150-F152 PolarHBondContact SD-N 3.39Å; M150-V160 HydrophobicContact CE-CB 4.1Å; M150-V160 HydrophobicContact CE-CG1 3.66Å; M150-P163 VanDerWaalsContact O-CD 3.29Å; M150-P163 WeakPolarHBondContact O-CD 3.39Å
151L83.4Confident78.9Confident94 Ų9478 Ų7849%0.49244%0.438SS..EExtended strand (participates in β ladder)trans-96.7-35.5177.9-63.5177.3000111.6L143 N149 G162L143-L151 WeakPolarHBondContact O-CA 3.41Å; L143-L151 WeakPolarHBondContact O-CB 3.46Å; L143-L151 PolarHBondContact O-N 3.16Å; N149-L151 PolarHBondContact O-N 3.12Å; L151-G162 PolarHBondContact O-N 2.88Å
152F82.1Confident78.7Confident55 Ų5575.9 Ų75.924%0.24143%0.431CS..EExtended strand (participates in β ladder)trans-152.7138177.1172.2-77.6000110.4M141 L143 M150 A154 T159 V160 I161M141-F152 HydrophobicContact CB-CE1 4.26Å; M141-F152 HydrophobicContact CG-CD1 4.16Å; M141-F152 HydrophobicContact CG-CE1 3.95Å; M141-F152 HydrophobicContact SD-CD1 4.15Å; M141-F152 HydrophobicContact SD-CE1 3.66Å; L143-F152 HydrophobicContact CB-CB 3.96Å; L143-F152 HydrophobicContact CD1-CB 3.8Å; L143-F152 HydrophobicContact CD1-CD1 3.68Å; L143-F152 HydrophobicContact CD1-CG 3.92Å; L143-F152 HydrophobicContact CG-CB 4.48Å; L143-F152 PolarHBondContact N-O 3.38Å; L143-F152 PolarHBondContact O-N 3.22Å; L143-F152 VanDerWaalsContact O-N 3.11Å; M150-F152 VanDerWaalsContact SD-C 3.59Å; M150-F152 PolarHBondContact SD-N 3.39Å; F152-A154 HydrophobicContact CE1-CB 3.62Å; F152-A154 HydrophobicContact CZ-CB 3.78Å; F152-T159 HydrophobicContact CD2-CG2 4.33Å; F152-T159 HydrophobicContact CE2-CG2 3.5Å; F152-T159 HydrophobicContact CZ-CG2 3.71Å; F152-V160 CarbonylContact C-O 3.59Å; F152-V160 WeakPolarHBondContact CA-O 3.35Å; F152-I161 HydrophobicContact CD2-CG1 3.88Å; F152-I161 HydrophobicContact CE2-CG1 4.24Å
153S82.4Confident77.6Confident35 Ų3574.5 Ų74.525%0.24543%0.428CS..EExtended strand (participates in β ladder)trans-138.9127.2174.2-175.30000109.6M141 T159 V160M141-S153 CarbonylContact O-C 3.53Å; M141-S153 VanDerWaalsContact O-CA 3.23Å; M141-S153 WeakPolarHBondContact O-CA 3.45Å; S153-T159 CarbonylContact O-C 3.56Å; S153-T159 WeakPolarHBondContact O-CA 3Å; S153-V160 PolarHBondContact N-O 3.27Å; S153-V160 PolarHBondContact O-N 3.48Å
154A81.1Confident76.8Confident20 Ų2074.1 Ų74.117%0.16543%0.427CS..EExtended strand (participates in β ladder)trans-131.2120.8172.400000109.2S140 M141 F152 T159S140-A154 CarbonylContact C-O 3.53Å; S140-A154 WeakPolarHBondContact CA-O 3.41Å; M141-A154 PolarHBondContact N-O 3.3Å; M141-A154 PolarHBondContact O-N 3.01Å; F152-A154 HydrophobicContact CE1-CB 3.62Å; F152-A154 HydrophobicContact CZ-CB 3.78Å; A154-T159 HydrophobicContact CB-CG2 4.26Å
155D75.4Confident75.9Confident84 Ų8478.3 Ų78.345%0.44944%0.442SS..  trans-128.630.4-172-167.728.4000112H139 E157 Q158H139-D155 CarbonylContact O-C 3.55Å; D155-E157 PolarHBondContact O-N 2.98Å; D155-Q158 PolarHBondContact N-O 3.41Å
156G70.8Confident75.5Confident78 Ų7878.7 Ų78.780%0.80444%0.441SS*.SBendtrans74.6-40.9-176.900000115.3
157E72.3Confident75.2Confident171 Ų17177 Ų7780%0.79942%0.418SS*.SBendtrans-83.1-37.3179.8-70.8-65.3144.600112.9D155D155-E157 PolarHBondContact O-N 2.98Å
158Q72.9Confident75.1Confident71 Ų7173 Ų7333%0.33240%0.398SS..  trans-148.3148.1-177.459.7-175.1-13.700110.8D155 V160D155-Q158 PolarHBondContact N-O 3.41Å; Q158-V160 HydrophobicContact CG-CG2 4.28Å
159T77.1Confident74.6Confident44 Ų4470.7 Ų70.727%0.2739%0.389SS..EExtended strand (participates in β ladder)trans-113.1122.8168.2-57.90000108.7F152 S153 A154 I161 R167 V168F152-T159 HydrophobicContact CD2-CG2 4.33Å; F152-T159 HydrophobicContact CE2-CG2 3.5Å; F152-T159 HydrophobicContact CZ-CG2 3.71Å; S153-T159 CarbonylContact O-C 3.56Å; S153-T159 WeakPolarHBondContact O-CA 3Å; A154-T159 HydrophobicContact CB-CG2 4.26Å; T159-I161 HydrophobicContact CG2-CG1 4.46Å; T159-R167 CarbonylContact O-C 3.55Å; T159-R167 WeakPolarHBondContact O-CA 3.18Å; T159-V168 PolarHBondContact N-O 2.87Å; T159-V168 VanDerWaalsContact N-O 3.17Å; T159-V168 PolarHBondContact O-N 2.89Å
160V75.4Confident74Confident24 Ų2467.5 Ų67.515%0.14538%0.38CS..EExtended strand (participates in β ladder)trans-114.7123.9-179-168.20000108.1M150 F152 S153 Q158 G162 R167M150-V160 HydrophobicContact CE-CB 4.1Å; M150-V160 HydrophobicContact CE-CG1 3.66Å; F152-V160 CarbonylContact C-O 3.59Å; F152-V160 WeakPolarHBondContact CA-O 3.35Å; S153-V160 PolarHBondContact N-O 3.27Å; S153-V160 PolarHBondContact O-N 3.48Å; Q158-V160 HydrophobicContact CG-CG2 4.28Å; V160-G162 WeakPolarHBondContact CG1-O 3.22Å; V160-R167 HydrophobicContact CG2-CG 4.39Å
161I81.1Confident73.3Confident68 Ų6871.7 Ų71.735%0.34941%0.41SS..EExtended strand (participates in β ladder)trans-113.1108.5178.7-61.3164.8000107.8F152 T159 L166F152-I161 HydrophobicContact CD2-CG1 3.88Å; F152-I161 HydrophobicContact CE2-CG1 4.24Å; T159-I161 HydrophobicContact CG2-CG1 4.46Å; I161-L166 HydrophobicContact CB-CB 4.16Å; I161-L166 HydrophobicContact CB-CG 4.48Å; I161-L166 HydrophobicContact CD1-CD2 3.71Å; I161-L166 HydrophobicContact CD1-CG 4.19Å; I161-L166 PolarHBondContact N-O 3.48Å; I161-L166 PolarHBondContact O-N 3.24Å
162G73.6Confident72.3Confident11 Ų1176 Ų7611%0.11343%0.428CS..THydrogen-bonded Turntrans65.7158.7-167.300000112.2L151 V160 D164L151-G162 PolarHBondContact O-N 2.88Å; V160-G162 WeakPolarHBondContact CG1-O 3.22Å; G162-D164 PolarHBondContact O-N 3.34Å; G162-D164 VanDerWaalsContact O-N 3.09Å
163P61.8Low71.6Confident79 Ų7975 Ų7551%0.51343%0.433SS..THydrogen-bonded Turntrans-61.5-25.4-176.424.4-30.2000112.5M150M150-P163 VanDerWaalsContact O-CD 3.29Å; M150-P163 WeakPolarHBondContact O-CD 3.39Å
164D64.2Low71.1Confident85 Ų8575.7 Ų75.746%0.45544%0.44SS..THydrogen-bonded Turntrans-140.55.1-167-57.7-58.1000115.7G162 H178G162-D164 PolarHBondContact O-N 3.34Å; G162-D164 VanDerWaalsContact O-N 3.09Å; D164-H178 PolarHBondContact O-ND1 3.07Å
165K65.8Low70.6Confident159 Ų15978.7 Ų78.769%0.69145%0.453SS*.THydrogen-bonded Turntrans-97.3-52.4-170.3-71.9-171.6178-174.60113.1F176K165-F176 WeakPolarHBondContact O-CD1 3.24Å
166L71.3Confident70.4Confident40 Ų4079.5 Ų79.521%0.20945%0.453CS..EExtended strand (participates in β ladder)trans-148.5123.2-169.5172.256.9000111.1I161 V168 A174 F176I161-L166 HydrophobicContact CB-CB 4.16Å; I161-L166 HydrophobicContact CB-CG 4.48Å; I161-L166 HydrophobicContact CD1-CD2 3.71Å; I161-L166 HydrophobicContact CD1-CG 4.19Å; I161-L166 PolarHBondContact N-O 3.48Å; I161-L166 PolarHBondContact O-N 3.24Å; L166-V168 HydrophobicContact CD1-CG2 4.42Å; L166-V168 HydrophobicContact CG-CG2 4.39Å; L166-A174 HydrophobicContact CD1-CB 3.57Å; L166-F176 HydrophobicContact CB-CD1 4.21Å; L166-F176 HydrophobicContact CB-CE1 4.18Å; L166-F176 HydrophobicContact CD1-CD1 3.71Å; L166-F176 HydrophobicContact CD1-CE1 3.37Å; L166-F176 HydrophobicContact CD1-CE2 4.31Å; L166-F176 HydrophobicContact CD1-CG 4.37Å; L166-F176 HydrophobicContact CD1-CZ 3.7Å; L166-F176 HydrophobicContact CD2-CE1 4.14Å; L166-F176 HydrophobicContact CG-CD1 4.49Å; L166-F176 HydrophobicContact CG-CE1 4.11Å
167R70.8Confident70.2Confident92 Ų9280.7 Ų80.735%0.34744%0.438SS..EExtended strand (participates in β ladder)trans-121112.3175.7-176.8176.5174.5-157.6-3.5109.2T159 V160 T169 L175T159-R167 CarbonylContact O-C 3.55Å; T159-R167 WeakPolarHBondContact O-CA 3.18Å; V160-R167 HydrophobicContact CG2-CG 4.39Å; R167-T169 HydrophobicContact CG-CG2 4.15Å; R167-L175 HydrophobicContact CB-CB 4.48Å; R167-L175 PolarHBondContact N-O 2.85Å; R167-L175 PolarHBondContact O-N 3.33Å
168V77.2Confident70.1Confident46 Ų4678.1 Ų78.128%0.27943%0.425SS..EExtended strand (participates in β ladder)trans-88114.4175.3-174.60000107.8T159 L166 A174T159-V168 PolarHBondContact N-O 2.87Å; T159-V168 VanDerWaalsContact N-O 3.17Å; T159-V168 PolarHBondContact O-N 2.89Å; L166-V168 HydrophobicContact CD1-CG2 4.42Å; L166-V168 HydrophobicContact CG-CG2 4.39Å; V168-A174 HydrophobicContact CG2-CB 4.12Å
169T68.5Low69.9Low84 Ų8480.8 Ų80.852%0.51545%0.452SS..  trans-97.118.8-176.248.20000112.9R167 G173R167-T169 HydrophobicContact CG-CG2 4.15Å; T169-G173 PolarHBondContact N-O 2.9Å
170G66.9Low69.8Low32 Ų3282.4 Ų82.433%0.3346%0.461SS..SBendtrans125.8-162.4176.700000113.6E172 G173G170-E172 PolarHBondContact O-N 3.4Å; G170-G173 PolarHBondContact O-N 3.27Å
171P65.4Low69.7Low133 Ų13390.5 Ų90.586%0.86450%0.497SS*.THydrogen-bonded Turntrans-68.7-18.5-177.228.1-34.3000113.6G173P171-G173 VanDerWaalsContact C-N 3.32Å; P171-G173 PolarHBondContact O-N 3.45Å
172E62.9Low69.4Low186 Ų18691 Ų9187%0.86950%0.504SS*.THydrogen-bonded Turntrans-83.7-3.1-176-61.9-59.914900113.8G170G170-E172 PolarHBondContact O-N 3.4Å
173G67.2Low69.3Low33 Ų3397.4 Ų97.434%0.3454%0.543SS..  trans138.1-164.6168.800000115.4T169 G170 P171T169-G173 PolarHBondContact N-O 2.9Å; G170-G173 PolarHBondContact O-N 3.27Å; P171-G173 VanDerWaalsContact C-N 3.32Å; P171-G173 PolarHBondContact O-N 3.45Å
174A71.8Confident70Confident49 Ų49100 Ų10041%0.40555%0.552SS.*EExtended strand (participates in β ladder)trans-133135.5-17100000111.3L166 V168L166-A174 HydrophobicContact CD1-CB 3.57Å; V168-A174 HydrophobicContact CG2-CB 4.12Å
175L71.3Confident70.5Confident83 Ų83100 Ų10044%0.43555%0.552SS.*EExtended strand (participates in β ladder)trans-98123.9177.3-179.968.9000109.8R167R167-L175 HydrophobicContact CB-CB 4.48Å; R167-L175 PolarHBondContact N-O 2.85Å; R167-L175 PolarHBondContact O-N 3.33Å
176F70.4Confident70.9Confident102 Ų10299.4 Ų99.445%0.44755%0.549SS..  trans-100.5122.3169.9-59-84.5000108.6K165 L166 H178 V180K165-F176 WeakPolarHBondContact O-CD1 3.24Å; L166-F176 HydrophobicContact CB-CD1 4.21Å; L166-F176 HydrophobicContact CB-CE1 4.18Å; L166-F176 HydrophobicContact CD1-CD1 3.71Å; L166-F176 HydrophobicContact CD1-CE1 3.37Å; L166-F176 HydrophobicContact CD1-CE2 4.31Å; L166-F176 HydrophobicContact CD1-CG 4.37Å; L166-F176 HydrophobicContact CD1-CZ 3.7Å; L166-F176 HydrophobicContact CD2-CE1 4.14Å; L166-F176 HydrophobicContact CG-CD1 4.49Å; L166-F176 HydrophobicContact CG-CE1 4.11Å; F176-H178 VanDerWaalsContact C-N 3.33Å; F176-V180 HydrophobicContact CB-CG2 3.73Å; F176-V180 HydrophobicContact CD1-CB 4.41Å; F176-V180 HydrophobicContact CD1-CG1 4.48Å; F176-V180 HydrophobicContact CD1-CG2 3.14Å; F176-V180 HydrophobicContact CD2-CG2 4.22Å; F176-V180 HydrophobicContact CE1-CG1 4.22Å; F176-V180 HydrophobicContact CE1-CG2 3.66Å; F176-V180 HydrophobicContact CG-CG2 3.44Å; F176-V180 VanDerWaalsContact CG-CG2 3.44Å; F176-V180 HydrophobicContact CZ-CG2 4.4Å
177Q66.8Low71Confident103 Ų10399.6 Ų99.648%0.48155%0.554SS.*SBendtrans-78.9-23.1177.2-69.2178.5-3.300112.1
178H70.2Confident71Confident116 Ų116101.1 Ų101.154%0.53757%0.565SS.*SBendtrans-130.4168.9-177.2-64.293.2000111.3D164 F176D164-H178 PolarHBondContact O-ND1 3.07Å; F176-H178 VanDerWaalsContact C-N 3.33Å
179S68.9Low70.3Confident127 Ų127106.1 Ų106.189%0.88859%0.589SS**  trans-58.2139.3175.3-56.80000111.6
180V74.1Confident69.9Low78 Ų78111 Ų11147%0.47361%0.611SS.*  trans-117.9131.5-178.1-169.10000109.2F176 V182F176-V180 HydrophobicContact CB-CG2 3.73Å; F176-V180 HydrophobicContact CD1-CB 4.41Å; F176-V180 HydrophobicContact CD1-CG1 4.48Å; F176-V180 HydrophobicContact CD1-CG2 3.14Å; F176-V180 HydrophobicContact CD2-CG2 4.22Å; F176-V180 HydrophobicContact CE1-CG1 4.22Å; F176-V180 HydrophobicContact CE1-CG2 3.66Å; F176-V180 HydrophobicContact CG-CG2 3.44Å; F176-V180 VanDerWaalsContact CG-CG2 3.44Å; F176-V180 HydrophobicContact CZ-CG2 4.4Å; V180-V182 HydrophobicContact CG1-CG1 3.97Å
181E73.1Confident69.8Low194 Ų194115.4 Ų115.491%0.90762%0.621SS**  trans-97.2120.2174.1-170.1175177.200109.8
182V76.5Confident70Confident79 Ų79115.4 Ų115.448%0.47961%0.614SS.*  trans-136135.7176.8-670000110.8V180 L185V180-V182 HydrophobicContact CG1-CG1 3.97Å; V182-L185 HydrophobicContact CG2-CB 4.49Å; V182-L185 HydrophobicContact CG2-CD1 4.29Å
183P70.6Confident70.5Confident145 Ų145110.6 Ų110.694%0.94259%0.593SS**SBendtrans-76.3-26.2-179.929.4-34.9000113.3
184L75.3Confident70.7Confident134 Ų134114.6 Ų114.670%0.70260%0.602SS**  trans-149.5126.8178.8176.565.8000109.1K186L184-K186 HydrophobicContact CG-CB 4.41Å
185L75.9Confident70.7Confident86 Ų86115.8 Ų115.845%0.4560%0.601SS.*  trans-107121.9170.4-165.684.3000108.6V182 L193 L195V182-L185 HydrophobicContact CG2-CB 4.49Å; V182-L185 HydrophobicContact CG2-CD1 4.29Å; L185-L193 HydrophobicContact CD2-CD1 4.07Å; L185-L193 HydrophobicContact CD2-CD2 3.62Å; L185-L193 HydrophobicContact CD2-CG 4.09Å; L185-L193 HydrophobicContact CG-CD1 4.15Å; L185-L193 HydrophobicContact CG-CD2 3.9Å; L185-L195 HydrophobicContact CD2-CD1 3.75Å; L185-L195 HydrophobicContact CD2-CD2 3.95Å; L185-L195 HydrophobicContact CD2-CG 4.23Å
186K73.7Confident70.4Confident146 Ų146116.8 Ų116.864%0.63560%0.603SS**  trans-144.6140.2-176-171.4-172.9170.8-175.80110.1L184L184-K186 HydrophobicContact CG-CB 4.41Å
187S74Confident70Confident43 Ų43113.5 Ų113.530%0.30159%0.592SS.*PPolyproline II helixtrans-86163.6168.3560000112.6K191S187-K191 WeakPolarHBondContact CB-O 3.45Å; S187-K191 PolarHBondContact OG-O 2.86Å
188E70.3Confident69.6Low125 Ų125113.6 Ų113.658%0.58460%0.602SS**PPolyproline II helixtrans-64.7159.2167.6-66.7176.9-175.900111.5L190 K191E188-L190 PolarHBondContact O-N 3.48Å; E188-K191 HydrophobicContact CB-CB 4.29Å; E188-K191 HydrophobicContact CB-CD 4.08Å; E188-K191 HydrophobicContact CB-CG 4.27Å; E188-K191 PolarHBondContact O-N 3.29Å; E188-K191 VanDerWaalsContact O-N 3.15Å; E188-K191 WeakPolarHBondContact OE2-CD 3.33Å; E188-K191 WeakPolarHBondContact OE2-CE 3.38Å; E188-K191 IonicContact OE2-NZ 3.97Å; E188-K191 PolarHBondContact OE2-NZ 2.88Å
189L61.8Low69Low150 Ų150114.1 Ų114.179%0.78561%0.614SS**THydrogen-bonded Turntrans-56.8134.2175.2-93.183000110.1K191L189-K191 PolarHBondContact O-N 2.82Å
190L60.3Low68.9Low186 Ų186117.8 Ų117.897%0.97461%0.608SS**THydrogen-bonded Turntrans6510.4179.3-52.7163.3000114.8E188E188-L190 PolarHBondContact O-N 3.48Å
191K66.4Low68.4Low125 Ų125116.8 Ų116.854%0.54361%0.605SS.*  trans-110.7141.5171.1-65.8-168.1-176.6165.80110.9S187 E188 L189S187-K191 WeakPolarHBondContact CB-O 3.45Å; S187-K191 PolarHBondContact OG-O 2.86Å; E188-K191 HydrophobicContact CB-CB 4.29Å; E188-K191 HydrophobicContact CB-CD 4.08Å; E188-K191 HydrophobicContact CB-CG 4.27Å; E188-K191 PolarHBondContact O-N 3.29Å; E188-K191 VanDerWaalsContact O-N 3.15Å; E188-K191 WeakPolarHBondContact OE2-CD 3.33Å; E188-K191 WeakPolarHBondContact OE2-CE 3.38Å; E188-K191 IonicContact OE2-NZ 3.97Å; E188-K191 PolarHBondContact OE2-NZ 2.88Å; L189-K191 PolarHBondContact O-N 2.82Å
192D68.4Low68.3Low133 Ų133109.1 Ų109.171%0.71157%0.571SS**  trans-77.8139.6179.3-59.1-30.6000111
193L73.8Confident67.9Low85 Ų85109.6 Ų109.645%0.44557%0.574SS.*  trans-92.298.2170.6-173.361.9000108.9L185L185-L193 HydrophobicContact CD2-CD1 4.07Å; L185-L193 HydrophobicContact CD2-CD2 3.62Å; L185-L193 HydrophobicContact CD2-CG 4.09Å; L185-L193 HydrophobicContact CG-CD1 4.15Å; L185-L193 HydrophobicContact CG-CD2 3.9Å
194K70.6Confident68Low117 Ų117105.3 Ų105.351%0.50954%0.542SS..  trans-99.8128.3179.8-178.7-170.7-101-170.10110.5W251K194-W251 HydrophobicContact CD-CH2 3.2Å; K194-W251 HydrophobicContact CD-CZ2 3.54Å; K194-W251 HydrophobicContact CD-CZ3 4.05Å; K194-W251 HydrophobicContact CG-CH2 3.84Å; K194-W251 HydrophobicContact CG-CZ2 3.64Å
195L72.4Confident67.6Low75 Ų75105.1 Ų105.139%0.39354%0.542SS..  trans-116.5111.7171.8-65174.8000109L185 M204L185-L195 HydrophobicContact CD2-CD1 3.75Å; L185-L195 HydrophobicContact CD2-CD2 3.95Å; L185-L195 HydrophobicContact CD2-CG 4.23Å; L195-M204 HydrophobicContact CD1-CE 3.01Å; L195-M204 HydrophobicContact CG-CE 4.48Å
196E64.5Low67.3Low103 Ų103102.3 Ų102.348%0.48153%0.531SS..  trans-111.2139.4-179.4-158.3163.817400111W251E196-W251 HydrophobicContact CB-CH2 4.35Å; E196-W251 HydrophobicContact CB-CZ2 3.56Å; E196-W251 HydrophobicContact CG-CH2 3.98Å; E196-W251 HydrophobicContact CG-CZ2 3.3Å; E196-W251 WeakPolarHBondContact OE2-CH2 3.32Å; E196-W251 VanDerWaalsContact OE2-CZ2 3.27Å; E196-W251 WeakPolarHBondContact OE2-CZ2 3.29Å
197C62.7Low66.9Low33 Ų33102.2 Ų102.222%0.22355%0.545CS..  trans-120103163-88.20000108.1T199 S201 V202 C249C197-T199 PolarHBondContact O-N 3.32Å; C197-S201 PolarHBondContact SG-O 3.37Å; C197-V202 HydrophobicContact CB-CG2 3.75Å; C197-V202 WeakPolarHBondContact SG-CG2 3.29Å; C197-C249 VanDerWaalsContact CB-SG 3.57Å; C197-C249 WeakPolarHBondContact O-CB 3.42Å; C197-C249 PolarHBondContact O-SG 3.3Å
198P57.8Low66.6Low106 Ų106109.4 Ų109.469%0.68857%0.571SS**SBendtrans-66.9-26.3-177.3-22.332.8000113.4
199T57.7Low66.2Low126 Ų126104.2 Ų104.277%0.77355%0.551SS**SBendtrans-117.9-20.1-165.856.30000115.3C197C197-T199 PolarHBondContact O-N 3.32Å
200R66.6Low66.5Low205 Ų20598.4 Ų98.477%0.77452%0.522SS*.SBendtrans-147.3-103.2-170.7-64-173.6-177.7173.51.3113.1C249R200-C249 PolarHBondContact O-SG 3.35Å
201S63.4Low66.9Low57 Ų5796.7 Ų96.740%0.39951%0.508SS..EExtended strand (participates in β ladder)trans-153.5146.3-174.651.10000109.8C197 L247C197-S201 PolarHBondContact SG-O 3.37Å; S201-L247 WeakPolarHBondContact CA-O 3.34Å; S201-L247 WeakPolarHBondContact CB-O 3.29Å
202V70.6Confident67Low32 Ų3295.5 Ų95.519%0.19451%0.507CS..EExtended strand (participates in β ladder)trans-87.7127.6167.3-179.10000107.1C197 M204 L247C197-V202 HydrophobicContact CB-CG2 3.75Å; C197-V202 WeakPolarHBondContact SG-CG2 3.29Å; V202-M204 HydrophobicContact CG1-CE 4.32Å; V202-M204 HydrophobicContact CG1-CG 4.49Å; V202-L247 PolarHBondContact O-N 3.42Å
203T69.9Low66.9Low89 Ų8997.4 Ų97.455%0.54651%0.509SS..EExtended strand (participates in β ladder)trans-118.1131.9170.755.60000109.3
204M71.1Confident66.5Low55 Ų5595.4 Ų95.427%0.27151%0.506SS..EExtended strand (participates in β ladder)trans-118.7120.7171.2-64.4178.9-175.600108.4L195 V202 V210 L212 I245L195-M204 HydrophobicContact CD1-CE 3.01Å; L195-M204 HydrophobicContact CG-CE 4.48Å; V202-M204 HydrophobicContact CG1-CE 4.32Å; V202-M204 HydrophobicContact CG1-CG 4.49Å; M204-V210 HydrophobicContact CB-CG1 4.35Å; M204-V210 HydrophobicContact CB-CG2 4.08Å; M204-V210 HydrophobicContact SD-CG1 4.18Å; M204-L212 HydrophobicContact SD-CD2 4.49Å; M204-I245 PolarHBondContact N-O 2.83Å
205D67.3Low66.1Low131 Ų13197.1 Ų97.170%0.70152%0.519SS*.EExtended strand (participates in β ladder)trans-122.7139.3176.5-169.74.9000109.3
206A69.2Low65.3Low26 Ų2698 Ų9822%0.21554%0.537CS..  trans-148.7133.8178.100000110.5K208 G209 V210A206-K208 PolarHBondContact O-N 2.83Å; A206-K208 VanDerWaalsContact O-N 3.12Å; A206-G209 WeakPolarHBondContact CB-O 3.33Å; A206-G209 PolarHBondContact O-N 3.43Å; A206-V210 HydrophobicContact CB-CG2 3.75Å
207P66.6Low65.3Low144 Ų14496.2 Ų96.294%0.93555%0.547SS*.THydrogen-bonded Turntrans-64.3-23.9-175.524.9-34.5000113.6
208K67.9Low65.1Low194 Ų194100.4 Ų100.484%0.84357%0.567SS**THydrogen-bonded Turntrans-107.712176.8-65.2-174.1179.41790113.1A206A206-K208 PolarHBondContact O-N 2.83Å; A206-K208 VanDerWaalsContact O-N 3.12Å
209G61.8Low65.4Low17 Ų17100.4 Ų100.418%0.17556%0.56CS.*  trans87.4156.5-173.900000113.3A206A206-G209 WeakPolarHBondContact CB-O 3.33Å; A206-G209 PolarHBondContact O-N 3.43Å
210V67.6Low65.7Low27 Ų27101.2 Ų101.216%0.16456%0.555CS.*  trans-94.9124.5-179.5-178.80000109.4M204 A206 L212M204-V210 HydrophobicContact CB-CG1 4.35Å; M204-V210 HydrophobicContact CB-CG2 4.08Å; M204-V210 HydrophobicContact SD-CG1 4.18Å; A206-V210 HydrophobicContact CB-CG2 3.75Å; V210-L212 HydrophobicContact CG1-CD2 4.25Å; V210-L212 HydrophobicContact CG1-CG 4.4Å
211H67.6Low65.7Low150 Ų15094.8 Ų94.869%0.69455%0.546SS*.  trans-105.4109.6178.8-66.9-68.7000111.3
212L69.9Low65.4Low100 Ų10095.2 Ų95.252%0.52455%0.553SS.*  trans-97.8117.1173.6-59.3176.3000109.5M204 V210 I219 I245M204-L212 HydrophobicContact SD-CD2 4.49Å; V210-L212 HydrophobicContact CG1-CD2 4.25Å; V210-L212 HydrophobicContact CG1-CG 4.4Å; L212-I219 HydrophobicContact CB-CD1 4.48Å; L212-I245 HydrophobicContact CD1-CD1 3.67Å; L212-I245 HydrophobicContact CG-CD1 4.5Å
213K65.6Low64.9Low173 Ų17395 Ų9575%0.75255%0.553SS**  trans-134.2120.6178.7-174.4179.3-178.5-1790110.4
214A66.1Low64.4Low44 Ų4496 Ų9636%0.36456%0.555SS.*  trans-94.9123.9165.800000109.1I219A214-I219 HydrophobicContact CB-CD1 4.09Å; A214-I219 HydrophobicContact CB-CG1 3.65Å
215L61Low63.8Low152 Ų152100 Ų10080%0.79658%0.575SS**SBendtrans-73.6-33.7175.5-69.6171.7000111.6
216A57.4Low63.1Low93 Ų93100.1 Ų100.177%0.76958%0.575SS**SBendtrans-153.1145.7174.900000108.2
217G63.6Low62.5Low66 Ų66102.2 Ų102.268%0.6859%0.585SS**SBendtrans95.2180-174.900000113.7
218N58.6Low61.9Low121 Ų12199.8 Ų99.865%0.64756%0.563SS**  trans-95.6151-179.9-65.8-20.6000110.6E220N218-E220 HydrophobicContact CB-CG 4.25Å
219I64.8Low61.5Low107 Ų10796 Ų9655%0.54955%0.552SS.*  trans-96.7115.6164.2-58.3172.8000106.1L212 A214L212-I219 HydrophobicContact CB-CD1 4.48Å; A214-I219 HydrophobicContact CB-CD1 4.09Å; A214-I219 HydrophobicContact CB-CG1 3.65Å
220E62.9Low61Low143 Ų143101.5 Ų101.567%0.66857%0.573SS**  trans-110.3123.1178.9-66179.3-171.200108.7N218N218-E220 HydrophobicContact CB-CG 4.25Å
221A67.3Low60.3Low70 Ų70104 Ų10458%0.57959%0.592SS**  trans-118.3112.5173.300000107.5L247A221-L247 HydrophobicContact CB-CD2 4.46Å
222A57.6Low59.7Low66 Ų66102 Ų10255%0.54559%0.59SS.*  trans-120.5133.517800000109
223S58.3Low58.7Low28 Ų28101.2 Ų101.220%0.19659%0.593CS.*  trans-133.4139.7175.5-175.20000107.8M225 V227 G248S223-M225 WeakPolarHBondContact CB-O 3.29Å; S223-M225 PolarHBondContact OG-N 2.86Å; S223-M225 PolarHBondContact OG-O 3.34Å; S223-M225 VanDerWaalsContact OG-O 3.13Å; S223-V227 VanDerWaalsContact CB-CG2 3.45Å; S223-G248 VanDerWaalsContact CA-O 3.29Å; S223-G248 WeakPolarHBondContact CA-O 3.47Å; S223-G248 VanDerWaalsContact CB-O 3.29Å; S223-G248 WeakPolarHBondContact CB-O 3.37Å; S223-G248 VanDerWaalsContact OG-C 3.26Å; S223-G248 WeakPolarHBondContact OG-CA 3.44Å; S223-G248 PolarHBondContact OG-N 3.19Å; S223-G248 VanDerWaalsContact OG-N 3.16Å; S223-G248 PolarHBondContact OG-O 2.89Å
224N59.9Low57.4Low109 Ų10996.5 Ų96.558%0.58359%0.594SS**SBendtrans-82.7-1.5170.4-161.812.1000111.7C249 T250N224-C249 WeakPolarHBondContact CB-O 3.28Å; N224-T250 HydrophobicContact CB-CG2 4.45Å; N224-T250 VanDerWaalsContact CB-N 3.32Å; N224-T250 WeakPolarHBondContact CB-OG1 3.29Å; N224-T250 VanDerWaalsContact CG-OG1 3.23Å; N224-T250 PolarHBondContact ND2-OG1 3.28Å
225M59.3Low56.1Low140 Ų140103.7 Ų103.769%0.6963%0.625SS**SBendtrans-123.1-168.1173.7-67.5-173.116400108.9S223 V227S223-M225 WeakPolarHBondContact CB-O 3.29Å; S223-M225 PolarHBondContact OG-N 2.86Å; S223-M225 PolarHBondContact OG-O 3.34Å; S223-M225 VanDerWaalsContact OG-O 3.13Å; M225-V227 PolarHBondContact O-N 2.85Å
226D51.9Low54.7Low132 Ų13299.3 Ų99.371%0.70662%0.616SS**  trans-65.8127.8178.9-61.7-37.7000111.7I228D226-I228 HydrophobicContact CB-CD1 4.47Å; D226-I228 HydrophobicContact CB-CG1 4.05Å; D226-I228 PolarHBondContact O-N 2.86Å
227V56.5Low53.5Low71 Ų71101.4 Ų101.443%0.4362%0.62SS.*  trans-84.9102.6165-179.30000108S223 M225 L229 L247S223-V227 VanDerWaalsContact CB-CG2 3.45Å; M225-V227 PolarHBondContact O-N 2.85Å; V227-L229 HydrophobicContact CG1-CD2 4.5Å; V227-L229 HydrophobicContact CG1-CG 4.33Å; V227-L247 HydrophobicContact CG1-CD2 3.96Å; V227-L247 HydrophobicContact CG2-CD2 4.09Å
228I54.9Low52.2Low92 Ų92110.2 Ų110.247%0.47263%0.632SS.*EExtended strand (participates in β ladder)trans-97.4114.5-180-58.2175.6000109.2D226 Q230D226-I228 HydrophobicContact CB-CD1 4.47Å; D226-I228 HydrophobicContact CB-CG1 4.05Å; D226-I228 PolarHBondContact O-N 2.86Å; I228-Q230 HydrophobicContact CG2-CG 3.8Å
229L59.8Low51Low115 Ų115107.9 Ų107.960%0.60263%0.626SS**EExtended strand (participates in β ladder)trans-106.9103.8172.6-62.1175.6000109.2V227V227-L229 HydrophobicContact CG1-CD2 4.5Å; V227-L229 HydrophobicContact CG1-CG 4.33Å
230Q49.9Very low49.6Very low132 Ų132112.2 Ų112.262%0.61764%0.641SS**  trans-108.2128.5175.3-72.7178.922.800110.2I228 T242I228-Q230 HydrophobicContact CG2-CG 3.8Å; Q230-T242 PolarHBondContact O-OG1 3.27Å
231S53.4Low48.1Very low81 Ų81111.3 Ų111.357%0.56663%0.632SS**  trans-107.3126.1173.4-171.20000109.3Y241S231-Y241 WeakPolarHBondContact CB-O 3.29Å; S231-Y241 PolarHBondContact OG-O 3.25Å
232T55.2Low46.5Very low107 Ų107108.9 Ų108.966%0.65661%0.61SS**  trans-95.42.1-170.833.40000114.3S243T232-S243 PolarHBondContact OG1-OG 3.25Å; T232-S243 VanDerWaalsContact OG1-OG 3.12Å
233S47.9Very low45.3Very low84 Ų84107.5 Ų107.559%0.58760%0.596SS**SBendtrans-148.2118.417863.60000115
234G38.7Very low44Very low74 Ų74109 Ų10976%0.76360%0.604SS**  trans89.8114138.700000118.5G236G234-G236 PolarHBondContact O-N 2.89Å; G234-G236 VanDerWaalsContact O-N 3.1Å
235L39Very low43.2Very low195 Ų195105 Ų105100%1.02158%0.583SS**SBendtrans-50.5112.8156.7-102102.8000109.8
236G32.8Very low42.1Very low60 Ų60100.6 Ų100.662%0.61957%0.566SS**SBendtrans142.6112.4166.300000113.8G234G234-G236 PolarHBondContact O-N 2.89Å; G234-G236 VanDerWaalsContact O-N 3.1Å
237T32.5Very low41.6Very low137 Ų13796.5 Ų96.584%0.8454%0.544SS*.SBendtrans62.1103159.235.20000118.3S239T237-S239 PolarHBondContact O-N 2.87Å
238R36.1Very low40.3Very low250 Ų25093.8 Ų93.894%0.94353%0.53SS*.SBendtrans23.482.7140.3-77.4-176.5167.3-152.1-3.2116.5
239S31.9Very low39.4Very low73 Ų7390.9 Ų90.951%0.5152%0.517SS..  trans-166.6136.9137.8-83.10000107.2T237 Y241T237-S239 PolarHBondContact O-N 2.87Å; S239-Y241 VanDerWaalsContact C-N 3.31Å; S239-Y241 VanDerWaalsContact O-CD2 3.24Å; S239-Y241 WeakPolarHBondContact O-CD2 3.27Å; S239-Y241 PolarHBondContact O-N 3.37Å
240F35.4Very low37.9Very low198 Ų19889.6 Ų89.687%0.86852%0.515SS*.  trans-7289.6177.4-68.9-89.4000108.5
241Y31.6Very low37.6Very low124 Ų12486.6 Ų86.649%0.48650%0.498SS..  trans-90.298.2167.3-59-80000107.1S231 S239S231-Y241 WeakPolarHBondContact CB-O 3.29Å; S231-Y241 PolarHBondContact OG-O 3.25Å; S239-Y241 VanDerWaalsContact C-N 3.31Å; S239-Y241 VanDerWaalsContact O-CD2 3.24Å; S239-Y241 WeakPolarHBondContact O-CD2 3.27Å; S239-Y241 PolarHBondContact O-N 3.37Å
242T34.1Very low36.2Very low19 Ų1989.8 Ų89.812%0.11750%0.504CS..  trans-107.8128.9165.4174.20000108.3Q230 T244 I245Q230-T242 PolarHBondContact O-OG1 3.27Å; T242-T244 VanDerWaalsContact C-N 3.29Å; T242-T244 PolarHBondContact OG1-N 2.86Å; T242-T244 PolarHBondContact OG1-O 3.43Å; T242-I245 HydrophobicContact CG2-CD1 3.71Å; T242-I245 HydrophobicContact CG2-CG1 3.42Å; T242-I245 VanDerWaalsContact CG2-CG1 3.42Å
243S32.5Very low35Very low36 Ų3689.6 Ų89.625%0.25250%0.498SS..SBendtrans-77.6-19.1174.2530000111.7T232T232-S243 PolarHBondContact OG1-OG 3.25Å; T232-S243 VanDerWaalsContact OG1-OG 3.12Å
244T31.9Very low34Very low59 Ų5995 Ų9536%0.36251%0.506SS..EExtended strand (participates in β ladder)trans-150.8117.7-174.6-47.80000109.9T242T242-T244 VanDerWaalsContact C-N 3.29Å; T242-T244 PolarHBondContact OG1-N 2.86Å; T242-T244 PolarHBondContact OG1-O 3.43Å
245I43Very low33.7Very low25 Ų2598.9 Ų98.913%0.12850%0.503CS..EExtended strand (participates in β ladder)trans-104.2115.3168.7-60173000106.5M204 L212 T242 L247M204-I245 PolarHBondContact N-O 2.83Å; L212-I245 HydrophobicContact CD1-CD1 3.67Å; L212-I245 HydrophobicContact CG-CD1 4.5Å; T242-I245 HydrophobicContact CG2-CD1 3.71Å; T242-I245 HydrophobicContact CG2-CG1 3.42Å; T242-I245 VanDerWaalsContact CG2-CG1 3.42Å; I245-L247 HydrophobicContact CG2-CD1 4.29Å; I245-L247 HydrophobicContact CG2-CD2 4.39Å; I245-L247 HydrophobicContact CG2-CG 3.97Å
246S35.3Very low33.2Very low49 Ų4994.5 Ų94.534%0.34349%0.489SS..EExtended strand (participates in β ladder)trans-112.1116.3171.3-67.10000108.2
247L40.3Very low33.6Very low46 Ų4699.6 Ų99.624%0.24150%0.501CS..EExtended strand (participates in β ladder)trans-109.9120.6174.8-64.1169.5000108.2S201 V202 A221 V227 I245S201-L247 WeakPolarHBondContact CA-O 3.34Å; S201-L247 WeakPolarHBondContact CB-O 3.29Å; V202-L247 PolarHBondContact O-N 3.42Å; A221-L247 HydrophobicContact CB-CD2 4.46Å; V227-L247 HydrophobicContact CG1-CD2 3.96Å; V227-L247 HydrophobicContact CG2-CD2 4.09Å; I245-L247 HydrophobicContact CG2-CD1 4.29Å; I245-L247 HydrophobicContact CG2-CD2 4.39Å; I245-L247 HydrophobicContact CG2-CG 3.97Å
248G30.5Very low33.6Very low13 Ų1398.9 Ų98.913%0.13450%0.497CS..EExtended strand (participates in β ladder)trans-80.6150.8172.400000111.9S223S223-G248 VanDerWaalsContact CA-O 3.29Å; S223-G248 WeakPolarHBondContact CA-O 3.47Å; S223-G248 VanDerWaalsContact CB-O 3.29Å; S223-G248 WeakPolarHBondContact CB-O 3.37Å; S223-G248 VanDerWaalsContact OG-C 3.26Å; S223-G248 WeakPolarHBondContact OG-CA 3.44Å; S223-G248 PolarHBondContact OG-N 3.19Å; S223-G248 VanDerWaalsContact OG-N 3.16Å; S223-G248 PolarHBondContact OG-O 2.89Å
249C36.6Very low33.4Very low31 Ų3190.7 Ų90.721%0.20949%0.49CS..  trans-98.2135.5-162.3-63.60000115C197 R200 N224C197-C249 VanDerWaalsContact CB-SG 3.57Å; C197-C249 WeakPolarHBondContact O-CB 3.42Å; C197-C249 PolarHBondContact O-SG 3.3Å; R200-C249 PolarHBondContact O-SG 3.35Å; N224-C249 WeakPolarHBondContact CB-O 3.28Å
250T27.5Very low33.6Very low89 Ų8992 Ų9255%0.54651%0.505SS..  -168.4138.5104.561.90000107.4N224N224-T250 HydrophobicContact CB-CG2 4.45Å; N224-T250 VanDerWaalsContact CB-N 3.32Å; N224-T250 WeakPolarHBondContact CB-OG1 3.29Å; N224-T250 VanDerWaalsContact CG-OG1 3.23Å; N224-T250 PolarHBondContact ND2-OG1 3.28Å
251W42.7Very low33.3Very low68 Ų6893.8 Ų93.826%0.25851%0.506SS..  trans-143.4154.6174.457.4-101.4000112.2K194 E196 L253K194-W251 HydrophobicContact CD-CH2 3.2Å; K194-W251 HydrophobicContact CD-CZ2 3.54Å; K194-W251 HydrophobicContact CD-CZ3 4.05Å; K194-W251 HydrophobicContact CG-CH2 3.84Å; K194-W251 HydrophobicContact CG-CZ2 3.64Å; E196-W251 HydrophobicContact CB-CH2 4.35Å; E196-W251 HydrophobicContact CB-CZ2 3.56Å; E196-W251 HydrophobicContact CG-CH2 3.98Å; E196-W251 HydrophobicContact CG-CZ2 3.3Å; E196-W251 WeakPolarHBondContact OE2-CH2 3.32Å; E196-W251 VanDerWaalsContact OE2-CZ2 3.27Å; E196-W251 WeakPolarHBondContact OE2-CZ2 3.29Å; W251-L253 HydrophobicContact CE3-CB 4.13Å; W251-L253 HydrophobicContact CE3-CD1 3.95Å; W251-L253 HydrophobicContact CE3-CG 3.88Å; W251-L253 HydrophobicContact CZ3-CB 4.28Å; W251-L253 HydrophobicContact CZ3-CD1 4.21Å; W251-L253 HydrophobicContact CZ3-CG 4.39Å
252E24.5Very low33.2Very low149 Ų14995.4 Ų95.470%0.69652%0.523SS*.  trans-132.8107.3172.8-162.9-176.7171.900105.9R254E252-R254 IonicContact OE1-CZ 2.68Å; E252-R254 IonicContact OE1-NH2 2.74Å; E252-R254 PolarHBondContact OE1-NH2 2.88Å
253L30.7Very low32.9Very low102 Ų102104.1 Ų104.153%0.53456%0.559SS.*  trans-91.9105.5179.2-84.1164.8000108.5W251W251-L253 HydrophobicContact CE3-CB 4.13Å; W251-L253 HydrophobicContact CE3-CD1 3.95Å; W251-L253 HydrophobicContact CE3-CG 3.88Å; W251-L253 HydrophobicContact CZ3-CB 4.28Å; W251-L253 HydrophobicContact CZ3-CD1 4.21Å; W251-L253 HydrophobicContact CZ3-CG 4.39Å
254R26.9Very low32.5Very low199 Ų199110.2 Ų110.275%0.75158%0.584SS**  trans-115.2119.3171.3-157.7179.6-65.6-106.11.3107.8E252E252-R254 IonicContact OE1-CZ 2.68Å; E252-R254 IonicContact OE1-NH2 2.74Å; E252-R254 PolarHBondContact OE1-NH2 2.88Å
255H32.4Very low32.4Very low154 Ų154114.7 Ų114.771%0.71361%0.605SS**  trans-73.3129.1172.9-84.7-90.9000110.5
256S28.7Very low31.7Very low104 Ų104118.5 Ų118.573%0.72763%0.629SS**  trans-104.5108.3157.1-173.50000108.5T258S256-T258 PolarHBondContact O-N 2.82Å
257L40.3Very low31.5Very low166 Ų166121.3 Ų121.387%0.86964%0.639SS**  trans-76.888.7170.9-84.7150.7000109.2
258T32.6Very low30.9Very low123 Ų123126.8 Ų126.876%0.75567%0.669SS**  trans-158.6118.5157.341.20000111.8S256S256-T258 PolarHBondContact O-N 2.82Å
259G31.1Very low30.9Very low77 Ų77128.8 Ų128.879%0.79469%0.685SS**  trans80.4115.8137.700000116.9R261G259-R261 PolarHBondContact O-N 3.3Å
260A36.3Very low30.8Very low100 Ų100137 Ų13783%0.82672%0.72SS**  trans-40.4126.816400000112.8
261R30.5Very low30.7Very low236 Ų236138.5 Ų138.589%0.89173%0.729SS**  trans-170.8136.4150.1-102.3150.8-171.1-151.82.4110.8G259G259-R261 PolarHBondContact O-N 3.3Å
262L28.6Very low30.3Very low159 Ų159138.7 Ų138.783%0.83274%0.738SS**  trans11.4125.7159.9-79.3130.4000118.3Q264L262-Q264 PolarHBondContact O-N 3.37Å; L262-Q264 VanDerWaalsContact O-N 3.09Å
263F27.6Very low30.5Very low201 Ų201142.5 Ų142.588%0.88275%0.745SS**  trans-41.1113.1155.9-66.3-85.5000110.9
264Q25.3Very low30.5Very low164 Ų164143.9 Ų143.977%0.76675%0.751SS**  trans-125.3103.6163.9-168173.6-8.900107.1L262 V266L262-Q264 PolarHBondContact O-N 3.37Å; L262-Q264 VanDerWaalsContact O-N 3.09Å; Q264-V266 VanDerWaalsContact C-N 3.31Å; Q264-V266 HydrophobicContact CB-CG2 4.44Å; Q264-V266 HydrophobicContact CG-CG2 3.79Å; Q264-V266 PolarHBondContact O-N 2.84Å
265L28.6Very low30.6Very low154 Ų154139.8 Ų139.881%0.80675%0.75SS**  trans-74.990.6170.6-134.4150000106L267L265-L267 HydrophobicContact CD2-CD1 4.15Å; L265-L267 HydrophobicContact CD2-CD2 4.21Å; L265-L267 HydrophobicContact CD2-CG 3.87Å; L265-L267 PolarHBondContact O-N 2.83Å
266V27.9Very low30.8Very low104 Ų104138 Ų13863%0.6376%0.755SS**  trans-80.998.2174.2-179.20000107.1Q264 D268Q264-V266 VanDerWaalsContact C-N 3.31Å; Q264-V266 HydrophobicContact CB-CG2 4.44Å; Q264-V266 HydrophobicContact CG-CG2 3.79Å; Q264-V266 PolarHBondContact O-N 2.84Å; V266-D268 PolarHBondContact O-N 2.86Å
267L31.1Very low30.9Very low108 Ų108140 Ų14057%0.56576%0.756SS**  trans-85.190.1167.6-73.1155.2000107.2L265 A269 V272L265-L267 HydrophobicContact CD2-CD1 4.15Å; L265-L267 HydrophobicContact CD2-CD2 4.21Å; L265-L267 HydrophobicContact CD2-CG 3.87Å; L265-L267 PolarHBondContact O-N 2.83Å; L267-A269 VanDerWaalsContact C-N 3.33Å; L267-A269 PolarHBondContact O-N 3.48Å; L267-V272 HydrophobicContact CB-CG2 4.25Å
268D28.9Very low30.5Very low161 Ų161137.9 Ų137.986%0.86175%0.753SS**  trans-83.784.4168.5-161.511.4000108V266V266-D268 PolarHBondContact O-N 2.86Å
269A30.3Very low30.7Very low56 Ų56140.4 Ų140.446%0.46376%0.761SS.*  trans-134.6130.1173.400000108.9L267 T271 V272L267-A269 VanDerWaalsContact C-N 3.33Å; L267-A269 PolarHBondContact O-N 3.48Å; A269-T271 PolarHBondContact O-N 3.38Å; A269-V272 HydrophobicContact CB-CG2 3.76Å
270E34.4Very low30.7Very low203 Ų203142.3 Ų142.395%0.94976%0.762SS**THydrogen-bonded Turntrans-59.6-17.1-172.5-150.9171.3-171.600113.1
271T26.4Very low30.6Very low121 Ų121147 Ų14774%0.74276%0.764SS**THydrogen-bonded Turntrans-148.699.9164.248.50000112.5A269A269-T271 PolarHBondContact O-N 3.38Å
272V32.8Very low31.4Very low72 Ų72139.6 Ų139.644%0.43676%0.76SS.*  trans-96.199.2162-175.70000108.8L267 A269 M274L267-V272 HydrophobicContact CB-CG2 4.25Å; A269-V272 HydrophobicContact CB-CG2 3.76Å; V272-M274 HydrophobicContact CG1-CE 4.03Å; V272-M274 HydrophobicContact CG1-CG 4.3Å
273R28.8Very low31.6Very low228 Ų228135.3 Ų135.386%0.8676%0.755SS**  trans-96.5115.7170.3-75.8-170179.6-161.91.5109.9
274M31.3Very low32.1Very low132 Ų132132.4 Ų132.465%0.6575%0.753SS**  trans-115.490.7167.1-69.9-167.2-100.900109.7V272V272-M274 HydrophobicContact CG1-CE 4.03Å; V272-M274 HydrophobicContact CG1-CG 4.3Å
275P29.5Very low33.2Very low113 Ų113129 Ų12973%0.73475%0.747SS**  trans-81.8133170.319.7-7.8000110.6
276S34.9Very low33.7Very low116 Ų116125.1 Ų125.181%0.81174%0.744SS**  trans7078.3169.2-53.70000117.1P278S276-P278 WeakPolarHBondContact O-CD 3.16Å
277L30.8Very low34.3Very low145 Ų145126.6 Ų126.676%0.75975%0.749SS**  trans-93.4113.4162.3-74.5161.7000110.3
278P32.5Very low35.1Very low123 Ų123125.6 Ų125.680%0.79975%0.747SS**PPolyproline II helixtrans-81.3132.9166.428.9-29.3000111.6S276S276-P278 WeakPolarHBondContact O-CD 3.16Å
279L37.2Very low36Very low176 Ų176124.8 Ų124.892%0.92174%0.738SS**PPolyproline II helixtrans-71.1130.2173.6-129.791.6000110.6
280S31.1Very low36.8Very low117 Ų117128.6 Ų128.682%0.81875%0.751SS**PPolyproline II helixtrans-82.3119.6171.9-177.10000111.1
281K34.1Very low37.5Very low199 Ų199124.3 Ų124.387%0.86573%0.734SS**PPolyproline II helixtrans-71.9138.8165-87.7-179.3173.5177.70110.4
282G47.6Very low39Very low79 Ų79124.5 Ų124.581%0.81473%0.725SS**PPolyproline II helixtrans-63.7136.217700000113
283G33Very low40.4Very low69 Ų69123.1 Ų123.171%0.71171%0.713SS**PPolyproline II helixtrans-100.9137.5175.200000112.6
284V37.1Very low41.6Very low141 Ų141116.6 Ų116.686%0.85570%0.699SS**PPolyproline II helixtrans-77.2158.4-164.1169.90000114.1
285S49.4Very low43.3Very low92 Ų92110.6 Ų110.664%0.64367%0.67SS**PPolyproline II helixtrans-73.5151.5-178.9-172.90000115
286G38.2Very low44.7Very low72 Ų72110.3 Ų110.374%0.74267%0.666SS**  trans144.3127.7165.100000110.7
287N41.7Very low46.1Very low136 Ų136105.6 Ų105.673%0.72763%0.633SS**  cis-156107.510.1-161.615.7000106.2
288T46.9Very low47.3Very low87 Ų87108.8 Ų108.853%0.53464%0.643SS.*  trans-100.876177.948.20000109.5
289Q46.8Very low48.5Very low144 Ų144107 Ų10767%0.67363%0.634SS**  trans-98.9122.3161-67.4-175.3-18.400106.3
290D48.2Very low49.6Very low135 Ų135101.4 Ų101.472%0.72262%0.619SS**SBendtrans88.635.2173.6-50.2-21.5000119.3
291L49.9Very low50.6Low113 Ų113103.3 Ų103.359%0.59261%0.612SS**  trans-114123.1161-86.8148.2000110A307L291-A307 HydrophobicContact CB-CB 4.06Å; L291-A307 VanDerWaalsContact O-CB 3.29Å; L291-A307 WeakPolarHBondContact O-CB 3.37Å; L291-A307 PolarHBondContact O-N 2.83Å
292F58Low51.8Low126 Ų12699.6 Ų99.655%0.55360%0.601SS**EExtended strand (participates in β ladder)trans-112.3139.5174.2-61.6-90000109.6L304 S305F292-L304 HydrophobicContact CB-CD2 3.8Å; F292-L304 HydrophobicContact CD1-CD2 4.48Å; F292-L304 HydrophobicContact CG-CD2 4.17Å; F292-S305 CarbonylContact C-O 3.54Å; F292-S305 VanDerWaalsContact CA-O 3.29Å; F292-S305 WeakPolarHBondContact CA-O 3.29Å
293E61.9Low52.7Low42 Ų4298.3 Ų98.320%0.19657%0.573CS.*EExtended strand (participates in β ladder)trans-104.3140.2171.859.9-175.1174.100109.7L304 S305 A307 T312E293-L304 WeakPolarHBondContact O-CA 3.28Å; E293-S305 PolarHBondContact N-O 3.27Å; E293-S305 PolarHBondContact O-N 3.23Å; E293-A307 HydrophobicContact CB-CB 4.42Å; E293-A307 HydrophobicContact CG-CB 4.41Å; E293-T312 WeakPolarHBondContact OE1-CA 3.44Å; E293-T312 WeakPolarHBondContact OE1-CB 3.45Å; E293-T312 PolarHBondContact OE1-N 3.48Å; E293-T312 PolarHBondContact OE1-OG1 2.92Å
294V54.2Low54Low92 Ų92100.9 Ų100.956%0.55857%0.57SS**EExtended strand (participates in β ladder)trans-97.9115177.9-179.60000108.1L302 L304V294-L302 HydrophobicContact CG1-CD2 3.95Å; V294-L304 HydrophobicContact CG2-CG 4.22Å
295C66.2Low55.3Low5 Ų595.2 Ų95.23%0.03454%0.537CS..EExtended strand (participates in β ladder)trans-98.5136.4-177.3-55.10000110.2L302 F303 C313C295-L302 WeakPolarHBondContact O-CA 2.93Å; C295-F303 HydrophobicContact CB-CD1 4.08Å; C295-F303 HydrophobicContact CB-CD2 4.25Å; C295-F303 HydrophobicContact CB-CE1 3.58Å; C295-F303 HydrophobicContact CB-CE2 3.78Å; C295-F303 HydrophobicContact CB-CG 4.4Å; C295-F303 HydrophobicContact CB-CZ 3.43Å; C295-F303 VanDerWaalsContact CB-CZ 3.43Å; C295-F303 PolarHBondContact N-O 3.15Å; C295-F303 PolarHBondContact O-N 2.83Å; C295-F303 VanDerWaalsContact O-N 3.09Å; C295-C313 HydrophobicContact CB-CB 3.72Å; C295-C313 WeakPolarHBondContact CB-SG 3.48Å; C295-C313 WeakPolarHBondContact SG-CA 3.36Å; C295-C313 WeakPolarHBondContact SG-CB 3.26Å; C295-C313 CovalentContact SG-SG 2.04Å; C295-C313 PolarHBondContact SG-SG 2.71Å
296V59.7Low56.1Low107 Ų10797.1 Ų97.165%0.64853%0.533SS*.EExtended strand (participates in β ladder)trans-111.3119.9178.6-161.40000109.3L302V296-L302 HydrophobicContact CB-CD2 4Å; V296-L302 HydrophobicContact CG1-CD2 3.88Å; V296-L302 HydrophobicContact CG2-CD2 3.45Å; V296-L302 VanDerWaalsContact CG2-CD2 3.45Å
297C63.3Low57Low18 Ų1894.9 Ų94.912%0.12251%0.507CS..  trans-80.6154.3179.2-143.20000111S299 G300 K301 C319C297-S299 PolarHBondContact O-N 3.34Å; C297-G300 PolarHBondContact O-N 3.47Å; C297-K301 WeakPolarHBondContact CB-O 3.29Å; C297-K301 PolarHBondContact N-O 3.46Å; C297-C319 HydrophobicContact CB-CB 4.34Å; C297-C319 WeakPolarHBondContact CB-SG 3.23Å; C297-C319 WeakPolarHBondContact SG-CA 3.41Å; C297-C319 WeakPolarHBondContact SG-CB 3.24Å; C297-C319 CovalentContact SG-SG 2.02Å; C297-C319 PolarHBondContact SG-SG 2.83Å
298H55.6Low57.7Low211 Ų21190.3 Ų90.398%0.97749%0.493SS*.THydrogen-bonded Turntrans-61.4-15.9175.3-137.890000113
299S58.9Low58.1Low87 Ų8795.6 Ų95.661%0.60850%0.503SS*.THydrogen-bonded Turntrans-83.8-2.8172.961.10000114.6C297C297-S299 PolarHBondContact O-N 3.34Å
300G59.9Low58.5Low58 Ų5894.2 Ų94.260%0.59850%0.504SS*.SBendtrans842.818000000115.5C297C297-G300 PolarHBondContact O-N 3.47Å
301K52.1Low58.9Low157 Ų15791.6 Ų91.668%0.68350%0.497SS*.  trans-79.8140.5173.6-69.1-177.8-179.3176.90111.2C297C297-K301 WeakPolarHBondContact CB-O 3.29Å; C297-K301 PolarHBondContact N-O 3.46Å
302L58.1Low59.4Low120 Ų12087.6 Ų87.663%0.62848%0.477SS*.EExtended strand (participates in β ladder)trans-110.3131.9179.6-69.3157.7000109.6V294 C295 V296V294-L302 HydrophobicContact CG1-CD2 3.95Å; C295-L302 WeakPolarHBondContact O-CA 2.93Å; V296-L302 HydrophobicContact CB-CD2 4Å; V296-L302 HydrophobicContact CG1-CD2 3.88Å; V296-L302 HydrophobicContact CG2-CD2 3.45Å; V296-L302 VanDerWaalsContact CG2-CD2 3.45Å
303F68Low59.6Low52 Ų5283.6 Ų83.623%0.22846%0.464CS..EExtended strand (participates in β ladder)trans-137.6154.9173.567.9-85.7000111.7C295 C319C295-F303 HydrophobicContact CB-CD1 4.08Å; C295-F303 HydrophobicContact CB-CD2 4.25Å; C295-F303 HydrophobicContact CB-CE1 3.58Å; C295-F303 HydrophobicContact CB-CE2 3.78Å; C295-F303 HydrophobicContact CB-CG 4.4Å; C295-F303 HydrophobicContact CB-CZ 3.43Å; C295-F303 VanDerWaalsContact CB-CZ 3.43Å; C295-F303 PolarHBondContact N-O 3.15Å; C295-F303 PolarHBondContact O-N 2.83Å; C295-F303 VanDerWaalsContact O-N 3.09Å; F303-C319 HydrophobicContact CE1-CB 4.3Å; F303-C319 WeakPolarHBondContact CE1-SG 3.22Å
304L60.7Low59.5Low123 Ų12386.6 Ų86.664%0.64449%0.49SS*.EExtended strand (participates in β ladder)trans-93.2128.9175.2-84.490.7000110.4F292 E293 V294F292-L304 HydrophobicContact CB-CD2 3.8Å; F292-L304 HydrophobicContact CD1-CD2 4.48Å; F292-L304 HydrophobicContact CG-CD2 4.17Å; E293-L304 WeakPolarHBondContact O-CA 3.28Å; V294-L304 HydrophobicContact CG2-CG 4.22Å
305S63.9Low59.6Low23 Ų2390.2 Ų90.216%0.16150%0.501CS..EExtended strand (participates in β ladder)trans-113.9154.5168.6-167.90000111F292 E293 T312F292-S305 CarbonylContact C-O 3.54Å; F292-S305 VanDerWaalsContact CA-O 3.29Å; F292-S305 WeakPolarHBondContact CA-O 3.29Å; E293-S305 PolarHBondContact N-O 3.27Å; E293-S305 PolarHBondContact O-N 3.23Å; S305-T312 PolarHBondContact OG-OG1 3.02Å
306K65.9Low58.9Low132 Ų13294.6 Ų94.657%0.57452%0.524SS*.EExtended strand (participates in β ladder)trans-79.5120.7176.8-170.6171.6-176.9173.50109G308 T312K306-G308 PolarHBondContact O-N 2.65Å; K306-T312 PolarHBondContact O-OG1 2.8Å
307A57.2Low58.5Low24 Ų2498.3 Ų98.320%0.19853%0.534CS..  trans-69.2124.6-171.400000112.1L291 E293L291-A307 HydrophobicContact CB-CB 4.06Å; L291-A307 VanDerWaalsContact O-CB 3.29Å; L291-A307 WeakPolarHBondContact O-CB 3.37Å; L291-A307 PolarHBondContact O-N 2.83Å; E293-A307 HydrophobicContact CB-CB 4.42Å; E293-A307 HydrophobicContact CG-CB 4.41Å
308G56.9Low58Low41 Ų41105.3 Ų105.342%0.42357%0.57SS.*  trans-100.2-169.9173.600000113.3K306 T310K306-G308 PolarHBondContact O-N 2.65Å; G308-T310 PolarHBondContact O-N 2.65Å
309R55.1Low57.8Low198 Ų19899.7 Ų99.775%0.74755%0.554SS**SBendtrans-67.9-16.7174.3-84-179.1167.9-177.3-8.9113.6
310T54.4Low57.7Low114 Ų114100.4 Ų100.470%0.69955%0.551SS**SBendtrans-136.9155.9174.847.60000107.5G308 T312G308-T310 PolarHBondContact O-N 2.65Å; T310-T312 PolarHBondContact O-N 2.75Å; T310-T312 VanDerWaalsContact O-N 3.15Å
311S56.4Low57.6Low81 Ų81102.6 Ų102.657%0.56655%0.549SS*.  trans-58.3120.9179.7620000110.3C313S311-C313 VanDerWaalsContact C-N 3.3Å
312T61.6Low57.9Low28 Ų2899.6 Ų99.617%0.17254%0.541CS..  trans-89.52.4-179.8640000112.5E293 S305 K306 T310 S314 E315E293-T312 WeakPolarHBondContact OE1-CA 3.44Å; E293-T312 WeakPolarHBondContact OE1-CB 3.45Å; E293-T312 PolarHBondContact OE1-N 3.48Å; E293-T312 PolarHBondContact OE1-OG1 2.92Å; S305-T312 PolarHBondContact OG-OG1 3.02Å; K306-T312 PolarHBondContact O-OG1 2.8Å; T310-T312 PolarHBondContact O-N 2.75Å; T310-T312 VanDerWaalsContact O-N 3.15Å; T312-S314 PolarHBondContact O-N 2.87Å; T312-E315 PolarHBondContact O-N 2.81Å
313C62Low57.9Low42 Ų4298.4 Ų98.428%0.28454%0.536SS..THydrogen-bonded Turntrans-56.1-16.8179.3-65.50000114.9C295 S311C295-C313 HydrophobicContact CB-CB 3.72Å; C295-C313 WeakPolarHBondContact CB-SG 3.48Å; C295-C313 WeakPolarHBondContact SG-CA 3.36Å; C295-C313 WeakPolarHBondContact SG-CB 3.26Å; C295-C313 CovalentContact SG-SG 2.04Å; C295-C313 PolarHBondContact SG-SG 2.71Å; S311-C313 VanDerWaalsContact C-N 3.3Å
314S59.6Low57.3Low106 Ų106101.3 Ų101.374%0.74156%0.556SS**THydrogen-bonded Turntrans-92.8-4.1179.8550000114.5T312T312-S314 PolarHBondContact O-N 2.87Å
315E56.7Low57Low167 Ų16799.8 Ų99.878%0.7855%0.55SS*.SBendtrans-97.2-3.7-169.2-131.6172.7-168.400113.8T312T312-E315 PolarHBondContact O-N 2.81Å
316N50.2Low56.6Low97 Ų97105.3 Ų105.352%0.51958%0.578SS.*  trans-112.4117-176.2-139.6-0000111.4D318 C319N316-D318 PolarHBondContact O-N 3.08Å; N316-D318 VanDerWaalsContact O-N 3.08Å; N316-C319 PolarHBondContact O-N 3.37Å
317Q52.6Low55.8Low185 Ų185103.2 Ų103.286%0.86458%0.578SS**THydrogen-bonded Turntrans-76.25.9-161-127.6170.911.500116.2C319Q317-C319 VanDerWaalsContact C-N 3.32Å
318D51.5Low55.7Low165 Ų165109.8 Ų109.888%0.88261%0.609SS**THydrogen-bonded Turntrans-9814.9173-71.3-35.5000112.7N316N316-D318 PolarHBondContact O-N 3.08Å; N316-D318 VanDerWaalsContact O-N 3.08Å
319C51.8Low55.6Low94 Ų94116.1 Ų116.164%0.63563%0.626SS**  trans-137.30162-810000108.5C297 F303 N316 Q317C297-C319 HydrophobicContact CB-CB 4.34Å; C297-C319 WeakPolarHBondContact CB-SG 3.23Å; C297-C319 WeakPolarHBondContact SG-CA 3.41Å; C297-C319 WeakPolarHBondContact SG-CB 3.24Å; C297-C319 CovalentContact SG-SG 2.02Å; C297-C319 PolarHBondContact SG-SG 2.83Å; F303-C319 HydrophobicContact CE1-CB 4.3Å; F303-C319 WeakPolarHBondContact CE1-SG 3.22Å; N316-C319 PolarHBondContact O-N 3.37Å; Q317-C319 VanDerWaalsContact C-N 3.32Å

Retrieved 319 of 319 residues in 589.4 ms (Link to these results)