A0A096N0P1_PAPAN Loading...

Steroidogenic acute regulatory protein, mitochondrial

Plays a key role in steroid hormone synthesis by enhancing the metabolism of cholesterol into pregnenolone. Mediates the transfer of cholesterol from the outer mitochondrial membrane to the inner mitochondrial membrane where it is cleaved to pregnenolone.

AlphaFold DB , UniProt , Accession A0A096N0P1, Species PAPAN (Papio anubis, Olive baboon), Gene STAR, Length 285 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
1M39.1Very low36Very low238 Ų238157.5 Ų157.5100%1.17291%0.91SS**  0108.70-66.9-171.4-149.900108.1
2L32.2Very low36.3Very low179 Ų179154.1 Ų154.194%0.93790%0.902SS**  trans178.589152.4-98.6159.6000106.9
3L30.2Very low36.7Very low176 Ų176151.1 Ų151.192%0.92189%0.894SS**  trans-146.1143.6164.7-121.8126.4000106.2
4A35.9Very low36.8Very low88 Ų88157.6 Ų157.673%0.72790%0.898SS**  trans87.7102.9176.500000117.2
5T42Very low37.1Very low153 Ų153162.5 Ų162.594%0.93990%0.897SS**  -166.775.6120.823.20000109.1
6F33.4Very low37.5Very low207 Ų207164.3 Ų164.391%0.90890%0.896SS**  trans-85.7115.5160.1-126.1-94.3000106.8
7K34.8Very low37.6Very low194 Ų194165.4 Ų165.484%0.84390%0.896SS**  trans155.3143147.3-90.1172.9178.6179.70111.6
8L34.9Very low38.3Very low168 Ų168169.7 Ų169.788%0.8890%0.897SS**  trans88.387.2165.3-63.6148.7000116.8
9C34.7Very low39.1Very low140 Ų140168.3 Ų168.395%0.94689%0.89SS**  trans-17053.9136-96.80000110.6
10A39.8Very low39.4Very low110 Ų110167.1 Ų167.191%0.90988%0.881SS**SBendtrans-12685.2165.100000107
11G38.8Very low39.9Very low80 Ų80167.4 Ų167.483%0.82588%0.875SS**SBendtrans178.116.6-174.100000118.7
12S39.6Very low40.4Very low116 Ų116157.8 Ų157.881%0.81184%0.837SS**SBendtrans-146.719.9-177.859.60000117.4
13S41.2Very low41.4Very low115 Ų115155 Ų15580%0.80482%0.823SS**SBendtrans-108-3.4171.8-153.60000115R15S13-R15 VanDerWaalsContact C-N 3.31Å; S13-R15 PolarHBondContact O-N 3.09Å
14Y39.3Very low42.4Very low242 Ų242156 Ų15695%0.94981%0.814SS**THydrogen-bonded Turntrans-89.524.3178.9-102.7-86.9000114.8
15R40.1Very low43.2Very low232 Ų232158.5 Ų158.588%0.87581%0.811SS**THydrogen-bonded Turntrans-131.311.9-179.8-110.7-174.1-168-162.24.5117.4S13S13-R15 VanDerWaalsContact C-N 3.31Å; S13-R15 PolarHBondContact O-N 3.09Å
16H43.8Very low43.7Very low191 Ų191157.6 Ų157.688%0.88480%0.796SS**  trans-123.720.1176.8-93.130000115.6R18H16-R18 PolarHBondContact O-N 3.39Å
17M40.4Very low44.7Very low183 Ų183150.3 Ų150.390%0.90177%0.774SS**  trans-99.143.4174.1-149.1174.371.300112.9
18R49.8Very low45.6Very low242 Ų242146 Ų14691%0.91376%0.763SS**SBendtrans-145.151.2178-145.7-179.8-166.9177.84.5113.6H16H16-R18 PolarHBondContact O-N 3.39Å
19N52.1Low46.7Very low143 Ų143144.1 Ų144.177%0.76575%0.752SS**  trans-165.260154-134-7.7000115.4
20M46.1Very low47.6Very low145 Ų145140.2 Ų140.271%0.71473%0.729SS**  trans-99.610.4177.1-74-117.2-66.400114.7
21K49.2Very low48.4Very low173 Ų173140 Ų14075%0.75271%0.712SS**Hα-helixtrans-76.2-35.1179.8-73.4-172.8176.8-175.60113Q25K21-Q25 PolarHBondContact O-N 3.29Å
22G51.1Low49.3Very low37 Ų37137.7 Ų137.738%0.38169%0.688SS.*Hα-helixtrans-68.8-40.6-178.900000114.2R24 Q25 Q26G22-R24 VanDerWaalsContact C-N 3.35Å; G22-R24 PolarHBondContact O-N 3.1Å; G22-Q25 PolarHBondContact O-N 3.16Å; G22-Q26 PolarHBondContact O-N 3.47Å; G22-Q26 VanDerWaalsContact O-N 3.15Å
23L52.2Low49.9Very low119 Ų119138.9 Ų138.962%0.62368%0.681SS**Hα-helixtrans-66.4-34179-78.8159.3000112.7A27L23-A27 PolarHBondContact O-N 2.91Å
24R52.3Low50.3Low198 Ų198136.2 Ų136.275%0.74766%0.656SS**Hα-helixtrans-68.2-39.3174.7-87.7-176166.2179-3.2112.5G22 A27 V28G22-R24 VanDerWaalsContact C-N 3.35Å; G22-R24 PolarHBondContact O-N 3.1Å; R24-A27 PolarHBondContact O-N 3.32Å; R24-V28 VanDerWaalsContact O-CG2 3.28Å; R24-V28 WeakPolarHBondContact O-CG2 3.4Å; R24-V28 PolarHBondContact O-N 3.19Å; R24-V28 VanDerWaalsContact O-N 3.08Å
25Q52.8Low51Low140 Ų140130.1 Ų130.165%0.65464%0.639SS**Hα-helixtrans-68.7-40178.9-77.8177-30.400112.1K21 G22 V28 M29K21-Q25 PolarHBondContact O-N 3.29Å; G22-Q25 PolarHBondContact O-N 3.16Å; Q25-V28 PolarHBondContact O-N 3.26Å; Q25-M29 WeakPolarHBondContact O-CG 3.46Å; Q25-M29 PolarHBondContact O-N 2.91Å
26Q51.6Low51.4Low134 Ų134124.8 Ų124.863%0.62663%0.628SS**Hα-helixtrans-64.9-40175.4-77.6-178.3-33.800112.5G22 M29 A30G22-Q26 PolarHBondContact O-N 3.47Å; G22-Q26 VanDerWaalsContact O-N 3.15Å; Q26-M29 PolarHBondContact O-N 3.46Å; Q26-A30 WeakPolarHBondContact O-CB 3.33Å; Q26-A30 PolarHBondContact O-N 3Å
27A53.9Low51.6Low54 Ų54124.2 Ų124.245%0.44662%0.618SS.*Hα-helixtrans-64.8-41.4176.100000112.4L23 R24 A30 I31L23-A27 PolarHBondContact O-N 2.91Å; R24-A27 PolarHBondContact O-N 3.32Å; A27-A30 PolarHBondContact O-N 3.46Å; A27-I31 WeakPolarHBondContact O-CD1 3.43Å; A27-I31 VanDerWaalsContact O-CG1 3.27Å; A27-I31 WeakPolarHBondContact O-CG1 3.33Å; A27-I31 PolarHBondContact O-N 3.08Å
28V55.1Low51.9Low103 Ų103124.1 Ų124.162%0.62461%0.608SS**Hα-helixtrans-66-39.6176.9171.80000111.3R24 Q25 I31 G32R24-V28 VanDerWaalsContact O-CG2 3.28Å; R24-V28 WeakPolarHBondContact O-CG2 3.4Å; R24-V28 PolarHBondContact O-N 3.19Å; R24-V28 VanDerWaalsContact O-N 3.08Å; Q25-V28 PolarHBondContact O-N 3.26Å; V28-I31 PolarHBondContact O-N 3.17Å; V28-G32 PolarHBondContact O-N 3.49Å
29M57Low51.9Low130 Ų130116.4 Ų116.464%0.6460%0.595SS**Hα-helixtrans-68.5-38.2175.9-69.2-139.8-55.900112.7Q25 Q26 G32 Q33Q25-M29 WeakPolarHBondContact O-CG 3.46Å; Q25-M29 PolarHBondContact O-N 2.91Å; Q26-M29 PolarHBondContact O-N 3.46Å; M29-G32 PolarHBondContact O-N 2.98Å; M29-Q33 WeakPolarHBondContact O-CB 3.43Å; M29-Q33 WeakPolarHBondContact O-CG 3.27Å; M29-Q33 PolarHBondContact O-N 3.4Å
30A52.9Low51.6Low57 Ų57117.3 Ų117.347%0.47160%0.6SS.*Hα-helixtrans-64.5-39.8176.100000111.9Q26 A27 E34Q26-A30 WeakPolarHBondContact O-CB 3.33Å; Q26-A30 PolarHBondContact O-N 3Å; A27-A30 PolarHBondContact O-N 3.46Å; A30-E34 PolarHBondContact O-N 3.17Å; A30-E34 VanDerWaalsContact O-N 3.08Å
31I57.7Low51.9Low106 Ų106113.8 Ų113.854%0.54460%0.6SS.*Hα-helixtrans-66.5-43.2173.7-66.6165.9000110.5A27 V28 Q33 E34 L35A27-I31 WeakPolarHBondContact O-CD1 3.43Å; A27-I31 VanDerWaalsContact O-CG1 3.27Å; A27-I31 WeakPolarHBondContact O-CG1 3.33Å; A27-I31 PolarHBondContact O-N 3.08Å; V28-I31 PolarHBondContact O-N 3.17Å; I31-Q33 PolarHBondContact O-N 2.85Å; I31-E34 PolarHBondContact O-N 3.29Å; I31-L35 HydrophobicContact CG2-CD1 3.87Å; I31-L35 HydrophobicContact CG2-CG 4.39Å; I31-L35 WeakPolarHBondContact O-CB 3.45Å; I31-L35 VanDerWaalsContact O-CG 3.27Å; I31-L35 WeakPolarHBondContact O-CG 3.5Å; I31-L35 PolarHBondContact O-N 3.4Å
32G57.7Low51.7Low32 Ų32109 Ų10933%0.3360%0.599SS.*Hα-helixtrans-62.5-41177.300000113.2V28 M29 L35 N36V28-G32 PolarHBondContact O-N 3.49Å; M29-G32 PolarHBondContact O-N 2.98Å; G32-L35 PolarHBondContact O-N 2.93Å; G32-N36 PolarHBondContact O-N 3.16Å
33Q52.7Low51.4Low140 Ų140113.5 Ų113.565%0.65462%0.622SS**Hα-helixtrans-67.5-39.4176.4-78.3-178-25.400112.2M29 I31 N36 R37M29-Q33 WeakPolarHBondContact O-CB 3.43Å; M29-Q33 WeakPolarHBondContact O-CG 3.27Å; M29-Q33 PolarHBondContact O-N 3.4Å; I31-Q33 PolarHBondContact O-N 2.85Å; Q33-N36 PolarHBondContact O-N 3.12Å; Q33-R37 WeakPolarHBondContact O-CB 3.27Å; Q33-R37 PolarHBondContact O-N 2.96Å
34E49.4Very low51.3Low60 Ų60113.9 Ų113.928%0.2863%0.625SS.*Hα-helixtrans-70.5-33.5176.8-174.860.6-166.500112.3A30 I31 R37 R38A30-E34 PolarHBondContact O-N 3.17Å; A30-E34 VanDerWaalsContact O-N 3.08Å; I31-E34 PolarHBondContact O-N 3.29Å; E34-R37 PolarHBondContact O-N 3.36Å; E34-R37 IonicContact OE1-CZ 3.3Å; E34-R37 IonicContact OE1-NE 3.09Å; E34-R37 IonicContact OE1-NH2 2.66Å; E34-R37 PolarHBondContact OE1-NH2 2.69Å; E34-R37 IonicContact OE2-CZ 3.04Å; E34-R37 VanDerWaalsContact OE2-CZ 3.29Å; E34-R37 IonicContact OE2-NE 3.87Å; E34-R37 PolarHBondContact OE2-NE 3.31Å; E34-R37 IonicContact OE2-NH2 2.67Å; E34-R37 PolarHBondContact OE2-NH2 3.4Å; E34-R38 WeakPolarHBondContact O-CG 3.36Å; E34-R38 PolarHBondContact O-N 3.49Å; E34-R38 IonicContact OE1-CZ 3.41Å; E34-R38 IonicContact OE1-NE 2.94Å; E34-R38 PolarHBondContact OE1-NE 3.08Å; E34-R38 IonicContact OE1-NH2 3.65Å; E34-R38 PolarHBondContact OE1-NH2 3.4Å
35L53.8Low51.2Low113 Ų113109.1 Ų109.159%0.59262%0.62SS**Hα-helixtrans-67.8-42.7173.3-72.6170.5000111.9I31 G32 R38 A39I31-L35 HydrophobicContact CG2-CD1 3.87Å; I31-L35 HydrophobicContact CG2-CG 4.39Å; I31-L35 WeakPolarHBondContact O-CB 3.45Å; I31-L35 VanDerWaalsContact O-CG 3.27Å; I31-L35 WeakPolarHBondContact O-CG 3.5Å; I31-L35 PolarHBondContact O-N 3.4Å; G32-L35 PolarHBondContact O-N 2.93Å; L35-R38 PolarHBondContact O-N 3.03Å; L35-A39 PolarHBondContact O-N 3.49Å; L35-A39 VanDerWaalsContact O-N 3.16Å
36N47.2Very low51Low120 Ų120106.9 Ų106.964%0.64262%0.619SS**Hα-helixtrans-67.8-34.3174.8-88.9-11.8000112.6G32 Q33 R38 A39G32-N36 PolarHBondContact O-N 3.16Å; Q33-N36 PolarHBondContact O-N 3.12Å; N36-R38 VanDerWaalsContact C-N 3.25Å; N36-R38 PolarHBondContact O-N 3.24Å; N36-A39 PolarHBondContact O-N 2.94Å
37R48.4Very low50.6Low180 Ų180104.9 Ų104.968%0.67962%0.616SS**Hα-helixtrans-63.9-31.4174.1-165174.875129.46.2112.2Q33 E34Q33-R37 WeakPolarHBondContact O-CB 3.27Å; Q33-R37 PolarHBondContact O-N 2.96Å; E34-R37 PolarHBondContact O-N 3.36Å; E34-R37 IonicContact OE1-CZ 3.3Å; E34-R37 IonicContact OE1-NE 3.09Å; E34-R37 IonicContact OE1-NH2 2.66Å; E34-R37 PolarHBondContact OE1-NH2 2.69Å; E34-R37 IonicContact OE2-CZ 3.04Å; E34-R37 VanDerWaalsContact OE2-CZ 3.29Å; E34-R37 IonicContact OE2-NE 3.87Å; E34-R37 PolarHBondContact OE2-NE 3.31Å; E34-R37 IonicContact OE2-NH2 2.67Å; E34-R37 PolarHBondContact OE2-NH2 3.4Å
38R48.2Very low50.2Low181 Ų181111 Ų11168%0.68363%0.628SS**Hα-helixtrans-86.2-13.3178-69-179.7-172.1-156.22.3114.2E34 L35 N36 L40E34-R38 WeakPolarHBondContact O-CG 3.36Å; E34-R38 PolarHBondContact O-N 3.49Å; E34-R38 IonicContact OE1-CZ 3.41Å; E34-R38 IonicContact OE1-NE 2.94Å; E34-R38 PolarHBondContact OE1-NE 3.08Å; E34-R38 IonicContact OE1-NH2 3.65Å; E34-R38 PolarHBondContact OE1-NH2 3.4Å; L35-R38 PolarHBondContact O-N 3.03Å; N36-R38 VanDerWaalsContact C-N 3.25Å; N36-R38 PolarHBondContact O-N 3.24Å; R38-L40 VanDerWaalsContact C-N 3.33Å
39A49.2Very low49.8Very low79 Ų79112 Ų11265%0.65363%0.629SS**THydrogen-bonded Turntrans-79.7-11.6176.800000113.8L35 N36L35-A39 PolarHBondContact O-N 3.49Å; L35-A39 VanDerWaalsContact O-N 3.16Å; N36-A39 PolarHBondContact O-N 2.94Å
40L46.1Very low49.1Very low163 Ų163109.2 Ų109.285%0.85362%0.622SS**THydrogen-bonded Turntrans-99.315.7-174.2-76166.8000115.2R38R38-L40 VanDerWaalsContact C-N 3.33Å
41G51.5Low48.5Very low70 Ų70112.7 Ų112.772%0.72263%0.628SS**SBendtrans-166.493.1175.400000114.5
42G45.8Very low47.9Very low72 Ų72110.8 Ų110.874%0.74262%0.622SS**  trans168.4149.2169.700000113.6
43P44.5Very low47Very low133 Ų133119.7 Ų119.786%0.86465%0.645SS**  trans-79.4166.2-159.432.2-34.6000115.4
44N49.4Very low46.4Very low126 Ų126123.7 Ų123.767%0.67466%0.655SS**  trans-31.7147.5-164.2-108.2-11.9000120.2S46N44-S46 VanDerWaalsContact C-N 3.29Å; N44-S46 PolarHBondContact O-N 3.05Å; N44-S46 VanDerWaalsContact O-N 3.09Å
45P50.8Low45.7Very low99 Ų99131.2 Ų131.264%0.64368%0.68SS**THydrogen-bonded Turntrans-67.3-11.3-171.7-19.332.2000117.2
46S49.1Very low44.9Very low92 Ų92128.9 Ų128.964%0.64367%0.673SS**Hα-helixtrans-78.9-21.8-168.958.50000114.5N44N44-S46 VanDerWaalsContact C-N 3.29Å; N44-S46 PolarHBondContact O-N 3.05Å; N44-S46 VanDerWaalsContact O-N 3.09Å
47T43Very low44.8Very low92 Ų92127.9 Ų127.956%0.56468%0.676SS**Hα-helixtrans-87.5-21.1-179.915.90000113.7S50T47-S50 PolarHBondContact O-OG 3.03Å; T47-S50 VanDerWaalsContact O-OG 3.1Å
48W45.3Very low44.5Very low182 Ų182126.8 Ų126.869%0.68968%0.683SS**Hα-helixtrans-74-36.8177-124.782.2000112S50 Q51 V52W48-S50 VanDerWaalsContact C-N 3.28Å; W48-S50 PolarHBondContact O-N 2.97Å; W48-Q51 PolarHBondContact O-N 3.04Å; W48-Q51 VanDerWaalsContact O-N 3.16Å; W48-V52 HydrophobicContact CD2-CG2 4.27Å; W48-V52 HydrophobicContact CE3-CG2 3.2Å; W48-V52 HydrophobicContact CH2-CG2 4.39Å; W48-V52 HydrophobicContact CZ3-CG2 3.27Å; W48-V52 WeakPolarHBondContact O-CG2 3.28Å; W48-V52 PolarHBondContact O-N 2.95Å
49I46.5Very low44.2Very low125 Ų125123.8 Ų123.864%0.64168%0.68SS**Hα-helixtrans-64.2-33.6-177.7-63174.4000111.4R53I49-R53 WeakPolarHBondContact O-CB 3.41Å; I49-R53 PolarHBondContact O-N 2.87Å
50S42.9Very low43.5Very low71 Ų71123.9 Ų123.950%0.49769%0.688SS.*Hα-helixtrans-76.2-29.9176.461.40000113.1T47 W48 R54T47-S50 PolarHBondContact O-OG 3.03Å; T47-S50 VanDerWaalsContact O-OG 3.1Å; W48-S50 VanDerWaalsContact C-N 3.28Å; W48-S50 PolarHBondContact O-N 2.97Å; S50-R54 PolarHBondContact O-N 3.3Å
51Q39.6Very low43.3Very low130 Ų130121.6 Ų121.661%0.60769%0.686SS**Hα-helixtrans-77.3-35.4174.6-79.6-174.4-21.400113W48 R53 R54 R55W48-Q51 PolarHBondContact O-N 3.04Å; W48-Q51 VanDerWaalsContact O-N 3.16Å; Q51-R53 VanDerWaalsContact C-N 3.35Å; Q51-R54 PolarHBondContact O-N 3.38Å; Q51-R55 PolarHBondContact O-N 3.4Å
52V44.2Very low43Very low67 Ų67126.9 Ų126.941%0.40668%0.684SS.*Hα-helixtrans-67.5-37.8173.4178.20000110.8W48 R54 R55 S56W48-V52 HydrophobicContact CD2-CG2 4.27Å; W48-V52 HydrophobicContact CE3-CG2 3.2Å; W48-V52 HydrophobicContact CH2-CG2 4.39Å; W48-V52 HydrophobicContact CZ3-CG2 3.27Å; W48-V52 WeakPolarHBondContact O-CG2 3.28Å; W48-V52 PolarHBondContact O-N 2.95Å; V52-R54 VanDerWaalsContact C-N 3.33Å; V52-R54 PolarHBondContact O-N 3.44Å; V52-R55 PolarHBondContact O-N 3.18Å; V52-S56 PolarHBondContact O-N 3.15Å; V52-S56 VanDerWaalsContact O-N 3.12Å; V52-S56 PolarHBondContact O-OG 2.82Å
53R38.8Very low42.9Very low219 Ų219131.4 Ų131.483%0.82669%0.69SS**Hα-helixtrans-65.9-32.1177-152.5175.7-146-171.85.8113.1I49 Q51I49-R53 WeakPolarHBondContact O-CB 3.41Å; I49-R53 PolarHBondContact O-N 2.87Å; Q51-R53 VanDerWaalsContact C-N 3.35Å
54R40Very low43Very low224 Ų224131.6 Ų131.685%0.84568%0.679SS**Hα-helixtrans-83.1-19.9173.5-82.9-169.5-170.8-177.84.3114.7S50 Q51 V52S50-R54 PolarHBondContact O-N 3.3Å; Q51-R54 PolarHBondContact O-N 3.38Å; V52-R54 VanDerWaalsContact C-N 3.33Å; V52-R54 PolarHBondContact O-N 3.44Å
55R35.1Very low43Very low218 Ų218132.9 Ų132.982%0.82368%0.681SS**Hα-helixtrans-90.7-2.9173.6-97.5-177.6166.3-179.7-3.7114.6Q51 V52 S57Q51-R55 PolarHBondContact O-N 3.4Å; V52-R55 PolarHBondContact O-N 3.18Å; R55-S57 PolarHBondContact O-N 2.8Å
56S38.3Very low43.5Very low63 Ų63131.6 Ų131.644%0.44167%0.672SS.*G310 helixtrans-78-3.3177-56.40000113.8V52 L58 L59V52-S56 PolarHBondContact O-N 3.15Å; V52-S56 VanDerWaalsContact O-N 3.12Å; V52-S56 PolarHBondContact O-OG 2.82Å; S56-L58 PolarHBondContact O-N 2.99Å; S56-L59 PolarHBondContact O-N 2.94Å
57S43.2Very low45Very low99 Ų99135.4 Ų135.469%0.69268%0.684SS**G310 helixtrans-77.15.1179.671.20000114.6R55R55-S57 PolarHBondContact O-N 2.8Å
58L43.5Very low47.3Very low158 Ų158134.1 Ų134.183%0.82767%0.669SS**G310 helixtrans-115.89.2174-65.5174.7000113.1S56S56-L58 PolarHBondContact O-N 2.99Å
59L40.7Very low49.7Very low118 Ų118128.1 Ų128.162%0.61866%0.655SS**  trans-108.616.4172-102.8141.8000112.2S56 S61S56-L59 PolarHBondContact O-N 2.94Å; L59-S61 PolarHBondContact O-N 2.91Å
60G36.3Very low52.1Low80 Ų80129 Ų12983%0.82566%0.661SS**THydrogen-bonded Turntrans-76.25.9178.900000115.4
61S40Very low54.6Low116 Ų116130.5 Ų130.581%0.81166%0.66SS**THydrogen-bonded Turntrans-116.28.5-179.771.90000114.2L59L59-S61 PolarHBondContact O-N 2.91Å
62R46.5Very low57.3Low180 Ų180126.5 Ų126.568%0.67964%0.642SS**SBendtrans-120.416.6-175.2-140.6-180-176.2-175.81.3114.7
63L43.6Very low59.8Low167 Ų167127.4 Ų127.487%0.87464%0.644SS**  trans-132.450.7178.5-83.9159.2000110.9
64E47Very low62.7Low137 Ų137118.6 Ų118.664%0.6462%0.617SS**  trans-127.250.8143.3-92.2-176.9170.500106.1T66 K162E64-T66 PolarHBondContact O-N 2.92Å; E64-K162 IonicContact OE1-NZ 3.81Å; E64-K162 PolarHBondContact OE1-NZ 2.73Å; E64-K162 IonicContact OE2-NZ 3.29Å; E64-K162 PolarHBondContact OE2-NZ 2.88Å
65E49.3Very low65.4Low153 Ų153108.3 Ų108.372%0.71558%0.579SS**  trans-72.473.3154.4-81179.2-178.100106.2L67E65-L67 PolarHBondContact O-N 3.26Å; E65-L67 VanDerWaalsContact O-N 3.17Å
66T60.1Low68.4Low72 Ų7299.7 Ų99.744%0.44255%0.549SS..  trans-50.6120.715330.60000105.7E64 Y68E64-T66 PolarHBondContact O-N 2.92Å; T66-Y68 VanDerWaalsContact O-CD2 3.23Å; T66-Y68 WeakPolarHBondContact O-CD2 3.49Å; T66-Y68 PolarHBondContact O-N 3.16Å; T66-Y68 WeakPolarHBondContact OG1-CE2 3.49Å; T66-Y68 PolarHBondContact OG1-OH 3.01Å
67L81.2Confident71.3Confident172 Ų172102.2 Ų102.290%0.90155%0.554SS**  trans-65.978.9180-66.5166.8000108.7E65E65-L67 PolarHBondContact O-N 3.26Å; E65-L67 VanDerWaalsContact O-N 3.17Å
68Y92.1Very high73.9Confident66 Ų66100 Ų10026%0.25953%0.532SS..  trans-69.4137173.4-65.3-64.3000108.9T66 E72 L73 L76 I160 G161T66-Y68 VanDerWaalsContact O-CD2 3.23Å; T66-Y68 WeakPolarHBondContact O-CD2 3.49Å; T66-Y68 PolarHBondContact O-N 3.16Å; T66-Y68 WeakPolarHBondContact OG1-CE2 3.49Å; T66-Y68 PolarHBondContact OG1-OH 3.01Å; Y68-E72 WeakPolarHBondContact CA-OE2 3.23Å; Y68-E72 HydrophobicContact CD1-CB 4.04Å; Y68-E72 HydrophobicContact CG-CB 4.36Å; Y68-L73 HydrophobicContact CD2-CD2 4.18Å; Y68-L73 HydrophobicContact CG-CD2 4.4Å; Y68-L76 HydrophobicContact CD1-CD1 4.12Å; Y68-L76 HydrophobicContact CD2-CD1 3.66Å; Y68-L76 HydrophobicContact CE1-CD1 4.22Å; Y68-L76 HydrophobicContact CE2-CD1 3.77Å; Y68-L76 HydrophobicContact CG-CD1 3.85Å; Y68-I160 HydrophobicContact CD1-CG2 3.91Å; Y68-I160 HydrophobicContact CE1-CG2 3.8Å; Y68-G161 WeakPolarHBondContact OH-CA 3.4Å
69S95.1Very high76.5Confident56 Ų5692.4 Ų92.439%0.39249%0.493SS..  trans-63159.8166.560.60000111.2Q71 E72 L73S69-Q71 PolarHBondContact O-N 3.2Å; S69-Q71 VanDerWaalsContact O-N 3.16Å; S69-E72 WeakPolarHBondContact CB-OE2 3.49Å; S69-E72 PolarHBondContact N-OE2 3.4Å; S69-E72 PolarHBondContact O-N 3.38Å; S69-E72 VanDerWaalsContact OG-CG 3.29Å; S69-E72 WeakPolarHBondContact OG-CG 2.93Å; S69-E72 PolarHBondContact OG-N 3.44Å; S69-E72 PolarHBondContact OG-OE2 2.87Å; S69-L73 WeakPolarHBondContact O-CG 3.29Å; S69-L73 PolarHBondContact O-N 3.36Å
70D95.8Very high79.2Confident142 Ų14291.1 Ų91.176%0.75948%0.483SS*.Hα-helixtrans-54.9-35.1175.5-67.8-20.8000112.1L73 A74D70-L73 PolarHBondContact O-N 2.79Å; D70-A74 PolarHBondContact O-N 2.63Å
71Q96.1Very high82.2Confident104 Ų10490.3 Ų90.349%0.48646%0.458SS..Hα-helixtrans-67.6-43176.4-171.56341.700112S69 A74 Y75S69-Q71 PolarHBondContact O-N 3.2Å; S69-Q71 VanDerWaalsContact O-N 3.16Å; Q71-A74 WeakPolarHBondContact O-CB 3.2Å; Q71-A74 PolarHBondContact O-N 3.49Å; Q71-Y75 HydrophobicContact CG-CD2 4.21Å; Q71-Y75 HydrophobicContact CG-CE2 3.56Å; Q71-Y75 PolarHBondContact NE2-OH 3.44Å; Q71-Y75 VanDerWaalsContact NE2-OH 3.09Å; Q71-Y75 WeakPolarHBondContact O-CD2 3.02Å; Q71-Y75 PolarHBondContact O-N 3.06Å; Q71-Y75 VanDerWaalsContact O-N 3.08Å
72E97.1Very high85Confident46 Ų4684.8 Ų84.822%0.21542%0.419CS..Hα-helixtrans-65.7-39.6175.8-74.916713500111.8Y68 S69 A74 Y75 L76 I160Y68-E72 WeakPolarHBondContact CA-OE2 3.23Å; Y68-E72 HydrophobicContact CD1-CB 4.04Å; Y68-E72 HydrophobicContact CG-CB 4.36Å; S69-E72 WeakPolarHBondContact CB-OE2 3.49Å; S69-E72 PolarHBondContact N-OE2 3.4Å; S69-E72 PolarHBondContact O-N 3.38Å; S69-E72 VanDerWaalsContact OG-CG 3.29Å; S69-E72 WeakPolarHBondContact OG-CG 2.93Å; S69-E72 PolarHBondContact OG-N 3.44Å; S69-E72 PolarHBondContact OG-OE2 2.87Å; E72-A74 VanDerWaalsContact C-N 3.29Å; E72-A74 PolarHBondContact O-N 3.09Å; E72-Y75 PolarHBondContact O-N 2.79Å; E72-L76 VanDerWaalsContact O-CG 3.28Å; E72-L76 WeakPolarHBondContact O-CG 3.16Å; E72-L76 PolarHBondContact O-N 3.42Å; E72-I160 HydrophobicContact CB-CG2 3.79Å; E72-I160 HydrophobicContact CG-CD1 4.24Å; E72-I160 HydrophobicContact CG-CG1 4.36Å; E72-I160 HydrophobicContact CG-CG2 3.98Å
73L97Very high87.4Confident86 Ų8676.3 Ų76.345%0.4539%0.388SS..Hα-helixtrans-60.4-39.6172.7-69175000111.7Y68 S69 D70 L76 Q77Y68-L73 HydrophobicContact CD2-CD2 4.18Å; Y68-L73 HydrophobicContact CG-CD2 4.4Å; S69-L73 WeakPolarHBondContact O-CG 3.29Å; S69-L73 PolarHBondContact O-N 3.36Å; D70-L73 PolarHBondContact O-N 2.79Å; L73-L76 HydrophobicContact CD2-CD1 4.21Å; L73-L76 PolarHBondContact O-N 2.81Å; L73-Q77 WeakPolarHBondContact O-CB 3.35Å; L73-Q77 PolarHBondContact O-N 3.06Å
74A97.9Very high90Very high33 Ų3374.3 Ų74.327%0.27337%0.374SS..Hα-helixtrans-63-43.317500000112.1D70 Q71 E72 Q77 Q78D70-A74 PolarHBondContact O-N 2.63Å; Q71-A74 WeakPolarHBondContact O-CB 3.2Å; Q71-A74 PolarHBondContact O-N 3.49Å; E72-A74 VanDerWaalsContact C-N 3.29Å; E72-A74 PolarHBondContact O-N 3.09Å; A74-Q77 PolarHBondContact O-N 3.37Å; A74-Q78 VanDerWaalsContact O-CG 3.31Å; A74-Q78 WeakPolarHBondContact O-CG 3.49Å; A74-Q78 PolarHBondContact O-N 3.24Å
75Y98.5Very high92.4Very high9 Ų972.9 Ų72.94%0.03537%0.366CS..Hα-helixtrans-65.5-41.1175.3-66.1-50.9000112.5Q71 E72 Q77 Q78 G79 I160 I166 V187 T204 D205 F206Q71-Y75 HydrophobicContact CG-CD2 4.21Å; Q71-Y75 HydrophobicContact CG-CE2 3.56Å; Q71-Y75 PolarHBondContact NE2-OH 3.44Å; Q71-Y75 VanDerWaalsContact NE2-OH 3.09Å; Q71-Y75 WeakPolarHBondContact O-CD2 3.02Å; Q71-Y75 PolarHBondContact O-N 3.06Å; Q71-Y75 VanDerWaalsContact O-N 3.08Å; E72-Y75 PolarHBondContact O-N 2.79Å; Y75-Q77 VanDerWaalsContact C-N 3.31Å; Y75-Q77 PolarHBondContact O-N 3.49Å; Y75-Q78 PolarHBondContact O-N 3.08Å; Y75-G79 PolarHBondContact O-N 2.64Å; Y75-I160 HydrophobicContact CD2-CD1 3.48Å; Y75-I160 VanDerWaalsContact CD2-CD1 3.48Å; Y75-I160 HydrophobicContact CE2-CD1 4.46Å; Y75-I160 HydrophobicContact CG-CD1 3.89Å; Y75-I166 HydrophobicContact CD1-CD1 4Å; Y75-I166 HydrophobicContact CD2-CD1 3.67Å; Y75-I166 HydrophobicContact CE1-CD1 3.86Å; Y75-I166 HydrophobicContact CE2-CD1 3.47Å; Y75-I166 VanDerWaalsContact CE2-CD1 3.47Å; Y75-I166 HydrophobicContact CG-CD1 3.92Å; Y75-V187 WeakPolarHBondContact O-CG2 3.17Å; Y75-T204 HydrophobicContact CD1-CG2 4.48Å; Y75-T204 WeakPolarHBondContact CD1-OG1 3.43Å; Y75-T204 HydrophobicContact CE1-CG2 4.15Å; Y75-T204 WeakPolarHBondContact CE1-OG1 3.48Å; Y75-D205 WeakPolarHBondContact CE1-O 3.49Å; Y75-D205 PolarHBondContact OH-O 3.25Å; Y75-F206 HydrophobicContact CE2-CD2 4.43Å; Y75-F206 WeakPolarHBondContact OH-CD2 3.48Å
76L98.1Very high94.7Very high37 Ų3765.6 Ų65.619%0.19433%0.332CS..Hα-helixtrans-57.2-46.9174.2-72.8165.8000110.8Y68 E72 L73 G79 E80 I160 T164Y68-L76 HydrophobicContact CD1-CD1 4.12Å; Y68-L76 HydrophobicContact CD2-CD1 3.66Å; Y68-L76 HydrophobicContact CE1-CD1 4.22Å; Y68-L76 HydrophobicContact CE2-CD1 3.77Å; Y68-L76 HydrophobicContact CG-CD1 3.85Å; E72-L76 VanDerWaalsContact O-CG 3.28Å; E72-L76 WeakPolarHBondContact O-CG 3.16Å; E72-L76 PolarHBondContact O-N 3.42Å; L73-L76 HydrophobicContact CD2-CD1 4.21Å; L73-L76 PolarHBondContact O-N 2.81Å; L76-G79 PolarHBondContact O-N 2.99Å; L76-E80 PolarHBondContact O-N 2.94Å; L76-I160 HydrophobicContact CD1-CG2 4.15Å; L76-I160 HydrophobicContact CD2-CG2 4.11Å; L76-I160 HydrophobicContact CG-CG2 3.92Å; L76-T164 HydrophobicContact CD2-CG2 4.31Å
77Q98.2Very high96.5Very high115 Ų11564.5 Ų64.554%0.53732%0.323SS..Hα-helixtrans-61.8-47.8176.8-177.5178.4-13.600111.9L73 A74 Y75 G79 E80 E81L73-Q77 WeakPolarHBondContact O-CB 3.35Å; L73-Q77 PolarHBondContact O-N 3.06Å; A74-Q77 PolarHBondContact O-N 3.37Å; Y75-Q77 VanDerWaalsContact C-N 3.31Å; Y75-Q77 PolarHBondContact O-N 3.49Å; Q77-G79 VanDerWaalsContact C-N 3.3Å; Q77-G79 PolarHBondContact O-N 3.3Å; Q77-E80 PolarHBondContact O-N 2.77Å; Q77-E80 VanDerWaalsContact O-N 3.16Å; Q77-E81 HydrophobicContact CG-CG 4.3Å; Q77-E81 WeakPolarHBondContact CG-OE1 3.47Å; Q77-E81 PolarHBondContact NE2-OE1 2.89Å; Q77-E81 WeakPolarHBondContact O-CG 3.28Å; Q77-E81 PolarHBondContact O-N 2.82Å
78Q98.4Very high97.2Very high52 Ų5258 Ų5824%0.24330%0.297CS..Hα-helixtrans-59.4-40.3178.2-71.8174.630.500112.3A74 Y75 E80 E81 A82 V187 T204A74-Q78 VanDerWaalsContact O-CG 3.31Å; A74-Q78 WeakPolarHBondContact O-CG 3.49Å; A74-Q78 PolarHBondContact O-N 3.24Å; Y75-Q78 PolarHBondContact O-N 3.08Å; Q78-E80 VanDerWaalsContact C-N 3.34Å; Q78-E80 PolarHBondContact O-N 2.82Å; Q78-E81 PolarHBondContact O-N 2.99Å; Q78-A82 WeakPolarHBondContact O-CB 3.46Å; Q78-A82 PolarHBondContact O-N 3.25Å; Q78-V187 HydrophobicContact CB-CG1 3.69Å; Q78-T204 PolarHBondContact OE1-OG1 2.87Å
79G98.2Very high97.5Very high0 Ų055.8 Ų55.80%029%0.29CS..Hα-helixtrans-60.3-42.2175.800000112.8Y75 L76 Q77 M83Y75-G79 PolarHBondContact O-N 2.64Å; L76-G79 PolarHBondContact O-N 2.99Å; Q77-G79 VanDerWaalsContact C-N 3.3Å; Q77-G79 PolarHBondContact O-N 3.3Å; G79-M83 PolarHBondContact O-N 2.73Å
80E97.6Very high97.6Very high90 Ų9054 Ų5442%0.42128%0.276SS..Hα-helixtrans-71.3-40.9176.4-67.4-164.7165.400112.8L76 Q77 Q78 A82 M83 Q84 K191L76-E80 PolarHBondContact O-N 2.94Å; Q77-E80 PolarHBondContact O-N 2.77Å; Q77-E80 VanDerWaalsContact O-N 3.16Å; Q78-E80 VanDerWaalsContact C-N 3.34Å; Q78-E80 PolarHBondContact O-N 2.82Å; E80-A82 VanDerWaalsContact C-N 3.31Å; E80-A82 PolarHBondContact O-N 2.76Å; E80-M83 WeakPolarHBondContact O-CB 3.43Å; E80-M83 PolarHBondContact O-N 2.79Å; E80-Q84 WeakPolarHBondContact O-CG 3.34Å; E80-Q84 PolarHBondContact O-N 3.17Å; E80-K191 IonicContact OE1-NZ 2.68Å; E80-K191 PolarHBondContact OE1-NZ 3.28Å
81E98.2Very high97.6Very high63 Ų6351.3 Ų51.329%0.29427%0.268SS..Hα-helixtrans-60.5-41.9175.2-75.1-174.4-159.300111.6Q77 Q78 M83 Q84 K85 M202Q77-E81 HydrophobicContact CG-CG 4.3Å; Q77-E81 WeakPolarHBondContact CG-OE1 3.47Å; Q77-E81 PolarHBondContact NE2-OE1 2.89Å; Q77-E81 WeakPolarHBondContact O-CG 3.28Å; Q77-E81 PolarHBondContact O-N 2.82Å; Q78-E81 PolarHBondContact O-N 2.99Å; E81-M83 VanDerWaalsContact C-N 3.31Å; E81-M83 PolarHBondContact O-N 3.27Å; E81-Q84 PolarHBondContact O-N 2.98Å; E81-K85 WeakPolarHBondContact O-CB 3.4Å; E81-K85 VanDerWaalsContact O-CG 3.31Å; E81-K85 WeakPolarHBondContact O-CG 3.05Å; E81-K85 PolarHBondContact O-N 2.87Å; E81-K85 IonicContact OE2-NZ 3.67Å; E81-K85 PolarHBondContact OE2-NZ 2.83Å; E81-M202 HydrophobicContact CB-CE 4.06Å
82A98.1Very high97.4Very high0 Ų050 Ų500%027%0.265CS..Hα-helixtrans-59.6-46.6176.400000110.4Q78 E80 A86 M202Q78-A82 WeakPolarHBondContact O-CB 3.46Å; Q78-A82 PolarHBondContact O-N 3.25Å; E80-A82 VanDerWaalsContact C-N 3.31Å; E80-A82 PolarHBondContact O-N 2.76Å; A82-A86 WeakPolarHBondContact O-CB 3.26Å; A82-A86 PolarHBondContact O-N 3.1Å; A82-M202 HydrophobicContact CB-CB 4.13Å; A82-M202 HydrophobicContact CB-CE 3.44Å; A82-M202 VanDerWaalsContact CB-CE 3.44Å; A82-M202 HydrophobicContact CB-CG 4.03Å
83M97.9Very high97.1Very high3 Ų353.6 Ų53.62%0.01528%0.281CS..Hα-helixtrans-61.7-48.6178.6-171.2172.7-69.100111.8G79 E80 E81 L87 C189 K191 V198 A200G79-M83 PolarHBondContact O-N 2.73Å; E80-M83 WeakPolarHBondContact O-CB 3.43Å; E80-M83 PolarHBondContact O-N 2.79Å; E81-M83 VanDerWaalsContact C-N 3.31Å; E81-M83 PolarHBondContact O-N 3.27Å; M83-L87 HydrophobicContact CG-CD1 3.8Å; M83-L87 HydrophobicContact CG-CG 4.4Å; M83-L87 VanDerWaalsContact O-CB 3.29Å; M83-L87 WeakPolarHBondContact O-CB 3.43Å; M83-L87 WeakPolarHBondContact O-CG 3.32Å; M83-L87 PolarHBondContact O-N 3.35Å; M83-C189 HydrophobicContact CE-CB 4.09Å; M83-C189 WeakPolarHBondContact CE-O 3.38Å; M83-K191 HydrophobicContact CE-CB 3.82Å; M83-K191 HydrophobicContact CE-CD 4.15Å; M83-K191 HydrophobicContact CE-CG 3.89Å; M83-K191 HydrophobicContact SD-CB 4.16Å; M83-K191 HydrophobicContact SD-CD 4.03Å; M83-K191 HydrophobicContact SD-CG 4.33Å; M83-V198 HydrophobicContact CE-CB 4.44Å; M83-V198 HydrophobicContact CE-CG1 4.33Å; M83-V198 HydrophobicContact CG-CG1 4.39Å; M83-A200 VanDerWaalsContact CA-CB 3.45Å; M83-A200 HydrophobicContact CB-CB 3.61Å; M83-A200 HydrophobicContact CE-CB 4Å; M83-A200 HydrophobicContact CG-CB 4.03Å
84Q97.6Very high96.8Very high125 Ų12557.1 Ų57.158%0.58430%0.295SS*.Hα-helixtrans-63.4-47.3-179.6-71.8-179.5-2.800111.8E80 E81 G88E80-Q84 WeakPolarHBondContact O-CG 3.34Å; E80-Q84 PolarHBondContact O-N 3.17Å; E81-Q84 PolarHBondContact O-N 2.98Å; Q84-G88 PolarHBondContact O-N 3.37Å
85K97.9Very high96.6Very high107 Ų10758.3 Ų58.347%0.46531%0.311SS..Hα-helixtrans-62.9-47.5179-72.1171.7-179.6164.60111.3E81 G88 I89 P222E81-K85 WeakPolarHBondContact O-CB 3.4Å; E81-K85 VanDerWaalsContact O-CG 3.31Å; E81-K85 WeakPolarHBondContact O-CG 3.05Å; E81-K85 PolarHBondContact O-N 2.87Å; E81-K85 IonicContact OE2-NZ 3.67Å; E81-K85 PolarHBondContact OE2-NZ 2.83Å; K85-G88 PolarHBondContact O-N 3.31Å; K85-I89 WeakPolarHBondContact O-CG1 3.48Å; K85-I89 PolarHBondContact O-N 2.79Å; K85-P222 HydrophobicContact CB-CB 3.89Å; K85-P222 HydrophobicContact CB-CG 3.99Å; K85-P222 HydrophobicContact CD-CG 4.15Å
86A97.9Very high96.5Very high0 Ų059.3 Ų59.30%032%0.315CS..Hα-helixtrans-65.3-44.2-178.700000112.5A82 G88 I89 L90 P222 C224 L242A82-A86 WeakPolarHBondContact O-CB 3.26Å; A82-A86 PolarHBondContact O-N 3.1Å; A86-G88 VanDerWaalsContact C-N 3.31Å; A86-G88 PolarHBondContact O-N 2.94Å; A86-I89 PolarHBondContact O-N 2.84Å; A86-L90 PolarHBondContact O-N 2.6Å; A86-P222 HydrophobicContact CB-CB 4.29Å; A86-C224 HydrophobicContact CB-CB 3.71Å; A86-C224 VanDerWaalsContact CB-SG 3.6Å; A86-L242 HydrophobicContact CB-CD2 3.87Å; A86-L242 WeakPolarHBondContact O-CD2 3.34Å
87L97.2Very high96.5Very high48 Ų4864.7 Ų64.725%0.25134%0.337SS..Hα-helixtrans-66-35.4174.3-68.2176.1000111.8M83 L90 S91 V198 V226M83-L87 HydrophobicContact CG-CD1 3.8Å; M83-L87 HydrophobicContact CG-CG 4.4Å; M83-L87 VanDerWaalsContact O-CB 3.29Å; M83-L87 WeakPolarHBondContact O-CB 3.43Å; M83-L87 WeakPolarHBondContact O-CG 3.32Å; M83-L87 PolarHBondContact O-N 3.35Å; L87-L90 PolarHBondContact O-N 2.68Å; L87-S91 WeakPolarHBondContact O-CB 3.3Å; L87-S91 PolarHBondContact O-N 3.18Å; L87-V198 HydrophobicContact CD2-CG1 4.28Å; L87-V226 HydrophobicContact CD2-CG2 3.9Å
88G97.2Very high96.5Very high36 Ų3665.5 Ų65.537%0.37134%0.339SS..Hα-helixtrans-58-47.1172.200000112.2Q84 K85 A86 L90 S91 N92Q84-G88 PolarHBondContact O-N 3.37Å; K85-G88 PolarHBondContact O-N 3.31Å; A86-G88 VanDerWaalsContact C-N 3.31Å; A86-G88 PolarHBondContact O-N 2.94Å; G88-L90 VanDerWaalsContact C-N 3.35Å; G88-L90 PolarHBondContact O-N 3.36Å; G88-S91 PolarHBondContact O-N 3.41Å; G88-S91 PolarHBondContact O-OG 2.77Å; G88-N92 PolarHBondContact O-N 3.14Å
89I97.5Very high96.4Very high19 Ų1966.2 Ų66.210%0.09734%0.342CS..Hα-helixtrans-59.6-45.1175-67.3164.6000111.1K85 A86 S91 N92 W96 V113 V119 L242K85-I89 WeakPolarHBondContact O-CG1 3.48Å; K85-I89 PolarHBondContact O-N 2.79Å; A86-I89 PolarHBondContact O-N 2.84Å; I89-S91 VanDerWaalsContact C-N 3.31Å; I89-S91 PolarHBondContact O-N 3.27Å; I89-N92 PolarHBondContact O-N 3.44Å; I89-W96 HydrophobicContact CG2-CH2 3.97Å; I89-W96 HydrophobicContact CG2-CZ2 3.86Å; I89-V113 HydrophobicContact CD1-CG1 4.18Å; I89-V113 HydrophobicContact CD1-CG2 4.35Å; I89-V113 HydrophobicContact CG1-CG1 4.1Å; I89-V113 HydrophobicContact CG1-CG2 4.23Å; I89-V113 HydrophobicContact CG2-CG2 4.03Å; I89-V119 HydrophobicContact CG2-CG2 4.22Å; I89-L242 HydrophobicContact CB-CD2 3.86Å; I89-L242 HydrophobicContact CD1-CD2 4.04Å; I89-L242 HydrophobicContact CG2-CD1 3.82Å; I89-L242 HydrophobicContact CG2-CD2 3.85Å
90L96.8Very high96.2Very high18 Ų1868.4 Ų68.49%0.09436%0.356CS..Hα-helixtrans-67.2-30.9179.2-73.2-177.7000113.2A86 L87 G88 N92 Q93 R121 C224 V226 T240 L242A86-L90 PolarHBondContact O-N 2.6Å; L87-L90 PolarHBondContact O-N 2.68Å; G88-L90 VanDerWaalsContact C-N 3.35Å; G88-L90 PolarHBondContact O-N 3.36Å; L90-N92 VanDerWaalsContact C-N 3.3Å; L90-N92 PolarHBondContact O-N 2.94Å; L90-Q93 PolarHBondContact O-NE2 2.82Å; L90-R121 VanDerWaalsContact CD2-CD 3.5Å; L90-R121 HydrophobicContact CD2-CG 3.86Å; L90-C224 VanDerWaalsContact CD1-SG 3.51Å; L90-V226 HydrophobicContact CD1-CG2 3.86Å; L90-T240 HydrophobicContact CD1-CG2 4.12Å; L90-T240 HydrophobicContact CD2-CG2 3.93Å; L90-L242 HydrophobicContact CD1-CB 4.37Å; L90-L242 HydrophobicContact CD2-CB 4.02Å; L90-L242 HydrophobicContact CD2-CD1 4.26Å; L90-L242 HydrophobicContact CG-CB 4.18Å; L90-L242 HydrophobicContact CG-CD2 4.41Å
91S95.3Very high96.1Very high87 Ų8767.4 Ų67.461%0.60835%0.351SS*.Hα-helixtrans-66.8-32.9-179.675.80000112.3L87 G88 I89 Q93L87-S91 WeakPolarHBondContact O-CB 3.3Å; L87-S91 PolarHBondContact O-N 3.18Å; G88-S91 PolarHBondContact O-N 3.41Å; G88-S91 PolarHBondContact O-OG 2.77Å; I89-S91 VanDerWaalsContact C-N 3.31Å; I89-S91 PolarHBondContact O-N 3.27Å; S91-Q93 PolarHBondContact O-N 3.26Å; S91-Q93 PolarHBondContact O-NE2 3.24Å
92N92.7Very high96Very high77 Ų7767.1 Ų67.141%0.41235%0.35SS..  trans-78.5101.2175.9-175.5-27.1000110.9G88 I89 L90 E94 W96 K111G88-N92 PolarHBondContact O-N 3.14Å; I89-N92 PolarHBondContact O-N 3.44Å; L90-N92 VanDerWaalsContact C-N 3.3Å; L90-N92 PolarHBondContact O-N 2.94Å; N92-E94 VanDerWaalsContact C-N 3.31Å; N92-E94 PolarHBondContact O-N 2.97Å; N92-E94 PolarHBondContact OD1-N 2.94Å; N92-E94 PolarHBondContact OD1-O 3.36Å; N92-W96 PolarHBondContact O-NE1 3.09Å; N92-K111 PolarHBondContact ND2-NZ 3.13Å; N92-K111 PolarHBondContact OD1-NZ 3.36Å; N92-K111 VanDerWaalsContact OD1-NZ 3.08Å
93Q90.4Very high95.8Very high121 Ų12175.7 Ų75.757%0.56540%0.395SS*.  trans-76.8-10.7-179.7-59-49.5-44.700114.5L90 S91L90-Q93 PolarHBondContact O-NE2 2.82Å; S91-Q93 PolarHBondContact O-N 3.26Å; S91-Q93 PolarHBondContact O-NE2 3.24Å
94E91.3Very high95.5Very high159 Ų15979.6 Ų79.674%0.74342%0.416SS*.THydrogen-bonded Turntrans-87.8151.2-176.7-63.8-178.2-178.800112.2N92 W96 K111N92-E94 VanDerWaalsContact C-N 3.31Å; N92-E94 PolarHBondContact O-N 2.97Å; N92-E94 PolarHBondContact OD1-N 2.94Å; N92-E94 PolarHBondContact OD1-O 3.36Å; E94-W96 VanDerWaalsContact C-N 3.33Å; E94-W96 PolarHBondContact O-N 2.84Å; E94-K111 WeakPolarHBondContact O-CE 3.2Å; E94-K111 PolarHBondContact O-NZ 3.38Å
95G93.4Very high95.4Very high59 Ų5975.5 Ų75.561%0.60841%0.407SS*.THydrogen-bonded Turntrans78.57.9172.100000116
96W97.6Very high95.4Very high29 Ų2970.6 Ų70.611%0.1139%0.386CS..PPolyproline II helixtrans-74.7127.9170.8-68.896.7000111I89 N92 E94 M109 S110 K111 V119 R121 L242I89-W96 HydrophobicContact CG2-CH2 3.97Å; I89-W96 HydrophobicContact CG2-CZ2 3.86Å; N92-W96 PolarHBondContact O-NE1 3.09Å; E94-W96 VanDerWaalsContact C-N 3.33Å; E94-W96 PolarHBondContact O-N 2.84Å; W96-M109 HydrophobicContact CB-CB 4.27Å; W96-M109 HydrophobicContact CB-CE 4.01Å; W96-M109 HydrophobicContact CD2-CB 4.44Å; W96-M109 HydrophobicContact CE3-CB 3.81Å; W96-S110 CarbonylContact C-O 3.59Å; W96-S110 WeakPolarHBondContact CA-O 3.47Å; W96-K111 HydrophobicContact CD2-CB 3.94Å; W96-K111 HydrophobicContact CD2-CD 4.19Å; W96-K111 HydrophobicContact CE3-CB 3.62Å; W96-K111 HydrophobicContact CH2-CB 4.08Å; W96-K111 HydrophobicContact CZ2-CB 4.38Å; W96-K111 HydrophobicContact CZ2-CD 4.17Å; W96-K111 HydrophobicContact CZ3-CB 3.69Å; W96-V119 HydrophobicContact CH2-CG2 3.79Å; W96-V119 HydrophobicContact CZ3-CG2 4.01Å; W96-R121 HydrophobicContact CE3-CB 4.01Å; W96-R121 HydrophobicContact CH2-CB 3.77Å; W96-R121 HydrophobicContact CZ3-CB 3.47Å; W96-R121 VanDerWaalsContact CZ3-CB 3.47Å; W96-L242 HydrophobicContact CH2-CD1 3.67Å
97K97.4Very high95.4Very high151 Ų15174.9 Ų74.966%0.65741%0.405SS*.EExtended strand (participates in β ladder)trans-101.9141.7174.8-63.1-176.9-179-177.20109.6M109 S110K97-M109 CarbonylContact O-C 3.59Å; K97-M109 WeakPolarHBondContact O-CA 3.3Å; K97-S110 PolarHBondContact N-O 2.94Å; K97-S110 PolarHBondContact O-N 2.83Å
98K97.1Very high95.4Very high131 Ų13172.7 Ų72.757%0.5739%0.393SS*.EExtended strand (participates in β ladder)trans-78.4122.9177.4-172.4179.8-177178.90109.8Q101 M109K98-Q101 VanDerWaalsContact NZ-CB 3.28Å; K98-M109 HydrophobicContact CB-CE 4.09Å; K98-M109 HydrophobicContact CB-SD 4Å; K98-M109 HydrophobicContact CG-SD 4.13Å
99E96.5Very high95.5Very high68 Ų6872.3 Ų72.332%0.31838%0.383SS..EExtended strand (participates in β ladder)trans-94.7-43.1172.8-65-71.2162.900110.4V108 S110 K118 F120E99-V108 HydrophobicContact CB-CB 4.45Å; E99-V108 HydrophobicContact CB-CG1 4.16Å; E99-V108 PolarHBondContact N-O 3.27Å; E99-S110 WeakPolarHBondContact OE1-CB 3.29Å; E99-S110 PolarHBondContact OE1-OG 3.39Å; E99-K118 VanDerWaalsContact OE1-CE 3.28Å; E99-K118 WeakPolarHBondContact OE1-CE 3.31Å; E99-K118 IonicContact OE1-NZ 3Å; E99-K118 PolarHBondContact OE1-NZ 2.87Å; E99-K118 IonicContact OE2-NZ 3.31Å; E99-F120 HydrophobicContact CG-CD1 4.26Å; E99-F120 HydrophobicContact CG-CE1 4.07Å
100T95Very high95.5Very high46 Ų4671.6 Ų71.628%0.28238%0.379SS..EExtended strand (participates in β ladder)trans-154.1151.4-177.3-530000111.7V108 S261T100-V108 PolarHBondContact N-O 3.5Å; T100-V108 VanDerWaalsContact N-O 3.15Å; T100-V108 PolarHBondContact O-N 2.82Å; T100-S261 PolarHBondContact OG1-OG 2.83Å
101Q95.3Very high95.6Very high68 Ų6872.2 Ų72.232%0.31838%0.381SS..EExtended strand (participates in β ladder)trans-134.4128.7167.9173.681.862.500108.9K98 G105 D106K98-Q101 VanDerWaalsContact NZ-CB 3.28Å; Q101-G105 PolarHBondContact NE2-O 2.88Å; Q101-D106 WeakPolarHBondContact CA-O 3.49Å; Q101-D106 PolarHBondContact NE2-O 3.45Å; Q101-D106 VanDerWaalsContact NE2-O 3.11Å
102Q95.5Very high95.7Very high58 Ų5873.3 Ų73.327%0.27138%0.384SS..  trans-93.4158.2174.7-56.6-62.9-46.100110.3N104 G105 D106 V265Q102-N104 WeakPolarHBondContact CB-OD1 3.42Å; Q102-N104 PolarHBondContact O-N 3.15Å; Q102-G105 PolarHBondContact O-N 2.95Å; Q102-D106 HydrophobicContact CB-CB 3.97Å; Q102-D106 HydrophobicContact CG-CB 3.92Å; Q102-D106 PolarHBondContact N-O 3.16Å; Q102-V265 HydrophobicContact CG-CG1 4.01Å; Q102-V265 HydrophobicContact CG-CG2 4.41Å
103D94.1Very high95.8Very high179 Ų17970.7 Ų70.796%0.95737%0.37SS*.THydrogen-bonded Turntrans-63.5-29.1179.6-63.5-26.2000112.8G105D103-G105 PolarHBondContact O-N 3.39Å
104N92.8Very high96Very high85 Ų8569.9 Ų69.946%0.45538%0.376SS..THydrogen-bonded Turntrans-74.3-0.1175.569.42.7000113.8Q102 D106 R272Q102-N104 WeakPolarHBondContact CB-OD1 3.42Å; Q102-N104 PolarHBondContact O-N 3.15Å; N104-D106 PolarHBondContact ND2-OD2 2.84Å; N104-D106 VanDerWaalsContact OD1-CB 3.31Å; N104-D106 WeakPolarHBondContact OD1-CB 3.39Å; N104-D106 PolarHBondContact OD1-N 3.04Å; N104-D106 PolarHBondContact OD1-OD2 2.89Å; N104-R272 PolarHBondContact ND2-NH1 3.15Å
105G94.9Very high95.8Very high39 Ų3970.8 Ų70.840%0.40239%0.386SS..SBendtrans96-6.3-179.700000115.4Q101 Q102 D103Q101-G105 PolarHBondContact NE2-O 2.88Å; Q102-G105 PolarHBondContact O-N 2.95Å; D103-G105 PolarHBondContact O-N 3.39Å
106D97.5Very high95.8Very high4 Ų470.6 Ų70.62%0.02137%0.373CS..  trans-63.9139.8179.4-64.1-17.6000112Q101 Q102 N104 V124 R272Q101-D106 WeakPolarHBondContact CA-O 3.49Å; Q101-D106 PolarHBondContact NE2-O 3.45Å; Q101-D106 VanDerWaalsContact NE2-O 3.11Å; Q102-D106 HydrophobicContact CB-CB 3.97Å; Q102-D106 HydrophobicContact CG-CB 3.92Å; Q102-D106 PolarHBondContact N-O 3.16Å; N104-D106 PolarHBondContact ND2-OD2 2.84Å; N104-D106 VanDerWaalsContact OD1-CB 3.31Å; N104-D106 WeakPolarHBondContact OD1-CB 3.39Å; N104-D106 PolarHBondContact OD1-N 3.04Å; N104-D106 PolarHBondContact OD1-OD2 2.89Å; D106-V124 HydrophobicContact CB-CG1 3.8Å; D106-V124 VanDerWaalsContact OD1-CB 3.32Å; D106-V124 WeakPolarHBondContact OD1-CB 3.41Å; D106-V124 WeakPolarHBondContact OD1-CG1 3.5Å; D106-R272 VanDerWaalsContact CG-NH2 3.25Å; D106-R272 IonicContact OD1-CZ 2.68Å; D106-R272 IonicContact OD1-NH1 3.85Å; D106-R272 IonicContact OD1-NH2 3Å; D106-R272 PolarHBondContact OD1-NH2 2.87Å; D106-R272 IonicContact OD2-CZ 3.45Å; D106-R272 VanDerWaalsContact OD2-CZ 3.3Å; D106-R272 IonicContact OD2-NH1 2.89Å; D106-R272 PolarHBondContact OD2-NH1 2.76Å; D106-R272 IonicContact OD2-NH2 3.47Å; D106-R272 PolarHBondContact OD2-NH2 2.85Å; D106-R272 VanDerWaalsContact OD2-NH2 3.09Å
107K97.8Very high95.7Very high90 Ų9070.6 Ų70.639%0.39138%0.382SS..EExtended strand (participates in β ladder)trans-126.9133.5-177.2-69.4171.2-168.1177.30110.4L122 E123K107-L122 CarbonylContact O-C 3.57Å; K107-L122 WeakPolarHBondContact O-CA 3.39Å; K107-E123 HydrophobicContact CB-CB 4.49Å; K107-E123 PolarHBondContact N-O 3.22Å; K107-E123 VanDerWaalsContact N-O 3.09Å; K107-E123 PolarHBondContact O-N 2.88Å
108V98.4Very high95.7Very high2 Ų266.4 Ų66.41%0.01236%0.364CS..EExtended strand (participates in β ladder)trans-112.7123.3163.9-178.60000108.3E99 T100 F120 R121 L122 S261 Q264 V265E99-V108 HydrophobicContact CB-CB 4.45Å; E99-V108 HydrophobicContact CB-CG1 4.16Å; E99-V108 PolarHBondContact N-O 3.27Å; T100-V108 PolarHBondContact N-O 3.5Å; T100-V108 VanDerWaalsContact N-O 3.15Å; T100-V108 PolarHBondContact O-N 2.82Å; V108-F120 HydrophobicContact CG1-CD1 4.16Å; V108-R121 WeakPolarHBondContact CA-O 3.42Å; V108-L122 HydrophobicContact CG2-CD1 3.82Å; V108-S261 WeakPolarHBondContact CG1-OG 3.43Å; V108-Q264 HydrophobicContact CG2-CB 4.11Å; V108-V265 HydrophobicContact CG2-CG2 3.84Å
109M98.3Very high95.7Very high29 Ų2960.2 Ų60.214%0.14334%0.337CS..EExtended strand (participates in β ladder)trans-113.6158.1176.5-50.7-63.2-70.500109.5W96 K97 K98 F120 R121W96-M109 HydrophobicContact CB-CB 4.27Å; W96-M109 HydrophobicContact CB-CE 4.01Å; W96-M109 HydrophobicContact CD2-CB 4.44Å; W96-M109 HydrophobicContact CE3-CB 3.81Å; K97-M109 CarbonylContact O-C 3.59Å; K97-M109 WeakPolarHBondContact O-CA 3.3Å; K98-M109 HydrophobicContact CB-CE 4.09Å; K98-M109 HydrophobicContact CB-SD 4Å; K98-M109 HydrophobicContact CG-SD 4.13Å; M109-F120 CarbonylContact O-C 3.38Å; M109-F120 VanDerWaalsContact O-CA 3.29Å; M109-F120 WeakPolarHBondContact O-CA 3.46Å; M109-R121 HydrophobicContact CB-CB 4.38Å; M109-R121 PolarHBondContact N-O 2.81Å; M109-R121 PolarHBondContact O-N 3.11Å
110S98.1Very high95.8Very high4 Ų457 Ų573%0.02832%0.322CS..EExtended strand (participates in β ladder)trans-133.6156.5171.6760000112.5W96 K97 E99 K118 V119W96-S110 CarbonylContact C-O 3.59Å; W96-S110 WeakPolarHBondContact CA-O 3.47Å; K97-S110 PolarHBondContact N-O 2.94Å; K97-S110 PolarHBondContact O-N 2.83Å; E99-S110 WeakPolarHBondContact OE1-CB 3.29Å; E99-S110 PolarHBondContact OE1-OG 3.39Å; S110-K118 WeakPolarHBondContact OG-CE 3.4Å; S110-V119 CarbonylContact C-O 3.42Å; S110-V119 WeakPolarHBondContact CA-O 3.39Å; S110-V119 WeakPolarHBondContact CB-O 3.33Å
111K97.5Very high96Very high31 Ų3155.8 Ų55.814%0.13531%0.312CS..EExtended strand (participates in β ladder)trans-149.5144.9176.5-178.8169.1177.2170.90109.4N92 E94 W96 V113 K118 V119N92-K111 PolarHBondContact ND2-NZ 3.13Å; N92-K111 PolarHBondContact OD1-NZ 3.36Å; N92-K111 VanDerWaalsContact OD1-NZ 3.08Å; E94-K111 WeakPolarHBondContact O-CE 3.2Å; E94-K111 PolarHBondContact O-NZ 3.38Å; W96-K111 HydrophobicContact CD2-CB 3.94Å; W96-K111 HydrophobicContact CD2-CD 4.19Å; W96-K111 HydrophobicContact CE3-CB 3.62Å; W96-K111 HydrophobicContact CH2-CB 4.08Å; W96-K111 HydrophobicContact CZ2-CB 4.38Å; W96-K111 HydrophobicContact CZ2-CD 4.17Å; W96-K111 HydrophobicContact CZ3-CB 3.69Å; K111-V113 HydrophobicContact CG-CG2 4.24Å; K111-K118 CarbonylContact O-C 3.59Å; K111-K118 WeakPolarHBondContact O-CA 3.37Å; K111-V119 HydrophobicContact CB-CG2 4.18Å; K111-V119 PolarHBondContact N-O 2.86Å; K111-V119 WeakPolarHBondContact O-CG2 3.31Å; K111-V119 PolarHBondContact O-N 2.79Å
112V97.2Very high96.2Very high110 Ų11052.5 Ų52.567%0.66730%0.297SS*.EExtended strand (participates in β ladder)trans-93.3115.6168.5-177.80000107.4G117 K118V112-G117 WeakPolarHBondContact CA-O 3.38Å; V112-K118 HydrophobicContact CG2-CB 4.38Å; V112-K118 HydrophobicContact CG2-CG 4.49Å
113V96.8Very high96.3Very high21 Ų2151.6 Ų51.613%0.12729%0.292CS..EExtended strand (participates in β ladder)trans-101.1132.5-179.8178.40000108.2I89 K111 D115 V116 G117 V119I89-V113 HydrophobicContact CD1-CG1 4.18Å; I89-V113 HydrophobicContact CD1-CG2 4.35Å; I89-V113 HydrophobicContact CG1-CG1 4.1Å; I89-V113 HydrophobicContact CG1-CG2 4.23Å; I89-V113 HydrophobicContact CG2-CG2 4.03Å; K111-V113 HydrophobicContact CG-CG2 4.24Å; V113-D115 PolarHBondContact O-N 3.41Å; V113-V116 HydrophobicContact CB-CB 4.09Å; V113-V116 HydrophobicContact CG1-CB 4.09Å; V113-V116 HydrophobicContact CG1-CG2 4.1Å; V113-V116 PolarHBondContact O-N 3.12Å; V113-G117 PolarHBondContact N-O 2.99Å; V113-G117 PolarHBondContact O-N 2.68Å; V113-V119 HydrophobicContact CG2-CG1 4.32Å; V113-V119 HydrophobicContact CG2-CG2 3.78Å
114P93.5Very high96.5Very high104 Ų10443.3 Ų43.368%0.67525%0.248SC*.THydrogen-bonded Turntrans-51.4140172.9-26.235.1000111.4V116P114-V116 PolarHBondContact O-N 3.17Å
115D88.1Confident96.7Very high179 Ų17942.1 Ų42.196%0.95724%0.244SC*.THydrogen-bonded Turntrans63-8.8178-46.2-43.2000116.8V113V113-D115 PolarHBondContact O-N 3.41Å
116V93.6Very high96.9Very high54 Ų5440.4 Ų40.433%0.32723%0.226SC..THydrogen-bonded Turntrans-109.9-35.4176.9178.20000111.7V113 P114 V119 P222 S244V113-V116 HydrophobicContact CB-CB 4.09Å; V113-V116 HydrophobicContact CG1-CB 4.09Å; V113-V116 HydrophobicContact CG1-CG2 4.1Å; V113-V116 PolarHBondContact O-N 3.12Å; P114-V116 PolarHBondContact O-N 3.17Å; V116-V119 HydrophobicContact CG1-CG1 3.74Å; V116-P222 HydrophobicContact CG2-CG 4.48Å; V116-S244 VanDerWaalsContact CG1-OG 3.26Å; V116-S244 WeakPolarHBondContact CG1-OG 3.39Å
117G94.9Very high96.8Very high30 Ų3045.2 Ų45.231%0.30925%0.252SS..EExtended strand (participates in β ladder)trans92-153.2-17500000113.1V112 V113V112-G117 WeakPolarHBondContact CA-O 3.38Å; V113-G117 PolarHBondContact N-O 2.99Å; V113-G117 PolarHBondContact O-N 2.68Å
118K97Very high96.8Very high63 Ų6343.2 Ų43.227%0.27424%0.244SC..EExtended strand (participates in β ladder)trans-79124-176.1-168.9175177.4-178.30110.3E99 S110 K111 V112 F120 N257E99-K118 VanDerWaalsContact OE1-CE 3.28Å; E99-K118 WeakPolarHBondContact OE1-CE 3.31Å; E99-K118 IonicContact OE1-NZ 3Å; E99-K118 PolarHBondContact OE1-NZ 2.87Å; E99-K118 IonicContact OE2-NZ 3.31Å; S110-K118 WeakPolarHBondContact OG-CE 3.4Å; K111-K118 CarbonylContact O-C 3.59Å; K111-K118 WeakPolarHBondContact O-CA 3.37Å; V112-K118 HydrophobicContact CG2-CB 4.38Å; V112-K118 HydrophobicContact CG2-CG 4.49Å; K118-F120 HydrophobicContact CD-CE2 4.38Å; K118-F120 HydrophobicContact CD-CZ 4.04Å; K118-F120 HydrophobicContact CG-CE2 4.22Å; K118-F120 HydrophobicContact CG-CZ 4.34Å; K118-N257 WeakPolarHBondContact CD-OD1 3.12Å; K118-N257 PolarHBondContact NZ-ND2 3.04Å
119V98.1Very high96.6Very high0 Ų045.4 Ų45.40%026%0.258CS..EExtended strand (participates in β ladder)trans-114155.6175.5-58.30000110.4I89 W96 S110 K111 V113 V116 L242 L243I89-V119 HydrophobicContact CG2-CG2 4.22Å; W96-V119 HydrophobicContact CH2-CG2 3.79Å; W96-V119 HydrophobicContact CZ3-CG2 4.01Å; S110-V119 CarbonylContact C-O 3.42Å; S110-V119 WeakPolarHBondContact CA-O 3.39Å; S110-V119 WeakPolarHBondContact CB-O 3.33Å; K111-V119 HydrophobicContact CB-CG2 4.18Å; K111-V119 PolarHBondContact N-O 2.86Å; K111-V119 WeakPolarHBondContact O-CG2 3.31Å; K111-V119 PolarHBondContact O-N 2.79Å; V113-V119 HydrophobicContact CG2-CG1 4.32Å; V113-V119 HydrophobicContact CG2-CG2 3.78Å; V116-V119 HydrophobicContact CG1-CG1 3.74Å; V119-L242 HydrophobicContact CB-CD1 4.06Å; V119-L242 HydrophobicContact CG2-CD1 3.93Å; V119-L243 WeakPolarHBondContact CA-O 3.35Å
120F98.6Very high96.6Very high2 Ų244.2 Ų44.21%0.00925%0.252CS..EExtended strand (participates in β ladder)trans-118.5141.3178.2-64.3-98.3000110.2E99 V108 M109 K118 L242 L243 N257 L260E99-F120 HydrophobicContact CG-CD1 4.26Å; E99-F120 HydrophobicContact CG-CE1 4.07Å; V108-F120 HydrophobicContact CG1-CD1 4.16Å; M109-F120 CarbonylContact O-C 3.38Å; M109-F120 VanDerWaalsContact O-CA 3.29Å; M109-F120 WeakPolarHBondContact O-CA 3.46Å; K118-F120 HydrophobicContact CD-CE2 4.38Å; K118-F120 HydrophobicContact CD-CZ 4.04Å; K118-F120 HydrophobicContact CG-CE2 4.22Å; K118-F120 HydrophobicContact CG-CZ 4.34Å; F120-L242 CarbonylContact O-C 3.59Å; F120-L242 WeakPolarHBondContact O-CA 3.46Å; F120-L243 PolarHBondContact N-O 2.88Å; F120-L243 PolarHBondContact O-N 3.16Å; F120-N257 HydrophobicContact CZ-CB 3.99Å; F120-L260 HydrophobicContact CD2-CB 3.99Å; F120-L260 HydrophobicContact CD2-CD1 4.08Å; F120-L260 HydrophobicContact CE2-CB 3.91Å; F120-L260 HydrophobicContact CE2-CD1 3.74Å; F120-L260 HydrophobicContact CE2-CG 4.49Å; F120-L260 HydrophobicContact CG-CB 4.45Å; F120-L260 HydrophobicContact CZ-CB 4.27Å
121R98.6Very high96.4Very high19 Ų1948.9 Ų48.97%0.07227%0.273CS..EExtended strand (participates in β ladder)trans-127.3112.2179.4-176.9-174.883174.38.6109.1L90 W96 V108 M109 E123 T240 W241L90-R121 VanDerWaalsContact CD2-CD 3.5Å; L90-R121 HydrophobicContact CD2-CG 3.86Å; W96-R121 HydrophobicContact CE3-CB 4.01Å; W96-R121 HydrophobicContact CH2-CB 3.77Å; W96-R121 HydrophobicContact CZ3-CB 3.47Å; W96-R121 VanDerWaalsContact CZ3-CB 3.47Å; V108-R121 WeakPolarHBondContact CA-O 3.42Å; M109-R121 HydrophobicContact CB-CB 4.38Å; M109-R121 PolarHBondContact N-O 2.81Å; M109-R121 PolarHBondContact O-N 3.11Å; R121-E123 HydrophobicContact CG-CG 4.39Å; R121-E123 IonicContact CZ-OE2 3.91Å; R121-E123 IonicContact NE-OE2 2.9Å; R121-E123 VanDerWaalsContact NH2-CD 3.35Å; R121-E123 IonicContact NH2-OE1 3.74Å; R121-E123 IonicContact NH2-OE2 2.73Å; R121-E123 PolarHBondContact NH2-OE2 3.44Å; R121-T240 HydrophobicContact CG-CG2 3.98Å; R121-W241 CarbonylContact C-O 3.46Å; R121-W241 WeakPolarHBondContact CA-O 3.32Å
122L98.7Very high96.3Very high0 Ų048.5 Ų48.50%027%0.271CS..EExtended strand (participates in β ladder)trans-86.4133.6169.2176.971.3000109.5K107 V108 V124 T240 W241 Q264 F267 A268K107-L122 CarbonylContact O-C 3.57Å; K107-L122 WeakPolarHBondContact O-CA 3.39Å; V108-L122 HydrophobicContact CG2-CD1 3.82Å; L122-V124 HydrophobicContact CD1-CG1 3.58Å; L122-V124 HydrophobicContact CD2-CG1 4.07Å; L122-V124 HydrophobicContact CG-CG1 3.74Å; L122-T240 CarbonylContact O-C 3.48Å; L122-T240 VanDerWaalsContact O-CA 3.31Å; L122-T240 WeakPolarHBondContact O-CA 3.46Å; L122-W241 HydrophobicContact CB-CB 4.17Å; L122-W241 HydrophobicContact CD2-CB 4.44Å; L122-W241 HydrophobicContact CD2-CE3 3.92Å; L122-W241 PolarHBondContact N-O 3.2Å; L122-W241 PolarHBondContact O-N 2.83Å; L122-Q264 HydrophobicContact CB-CB 4.03Å; L122-Q264 HydrophobicContact CB-CG 4.31Å; L122-Q264 HydrophobicContact CD1-CB 4.19Å; L122-Q264 HydrophobicContact CD2-CB 4.23Å; L122-Q264 WeakPolarHBondContact CD2-O 3.22Å; L122-Q264 HydrophobicContact CG-CB 4.36Å; L122-F267 HydrophobicContact CD2-CD1 4.23Å; L122-A268 HydrophobicContact CD2-CB 4.28Å
123E98.1Very high96.3Very high38 Ų3843.2 Ų43.218%0.17824%0.239CC..EExtended strand (participates in β ladder)trans-125118.1168.9-66.4-172.1103.300109.7K107 R121 K238 T240K107-E123 HydrophobicContact CB-CB 4.49Å; K107-E123 PolarHBondContact N-O 3.22Å; K107-E123 VanDerWaalsContact N-O 3.09Å; K107-E123 PolarHBondContact O-N 2.88Å; R121-E123 HydrophobicContact CG-CG 4.39Å; R121-E123 IonicContact CZ-OE2 3.91Å; R121-E123 IonicContact NE-OE2 2.9Å; R121-E123 VanDerWaalsContact NH2-CD 3.35Å; R121-E123 IonicContact NH2-OE1 3.74Å; R121-E123 IonicContact NH2-OE2 2.73Å; R121-E123 PolarHBondContact NH2-OE2 3.44Å; E123-K238 IonicContact OE1-NZ 3.83Å; E123-K238 PolarHBondContact OE1-NZ 2.97Å; E123-T240 HydrophobicContact CG-CG2 4.38Å
124V98.1Very high96.3Very high5 Ų544.2 Ų44.23%0.0324%0.241CC..EExtended strand (participates in β ladder)trans-136.6152178.9-54.40000111D106 L122 V126 K238 L239 A268D106-V124 HydrophobicContact CB-CG1 3.8Å; D106-V124 VanDerWaalsContact OD1-CB 3.32Å; D106-V124 WeakPolarHBondContact OD1-CB 3.41Å; D106-V124 WeakPolarHBondContact OD1-CG1 3.5Å; L122-V124 HydrophobicContact CD1-CG1 3.58Å; L122-V124 HydrophobicContact CD2-CG1 4.07Å; L122-V124 HydrophobicContact CG-CG1 3.74Å; V124-V126 HydrophobicContact CG2-CG2 4.11Å; V124-K238 WeakPolarHBondContact O-CA 3.11Å; V124-L239 HydrophobicContact CG2-CB 3.72Å; V124-L239 HydrophobicContact CG2-CD2 3.84Å; V124-L239 HydrophobicContact CG2-CG 4.07Å; V124-L239 PolarHBondContact N-O 3.46Å; V124-L239 PolarHBondContact O-N 3.16Å; V124-A268 HydrophobicContact CG1-CB 3.88Å
125V98Very high96.5Very high60 Ų6041 Ų4136%0.36422%0.217SC..EExtended strand (participates in β ladder)trans-110.5131.6166.4179.20000107.5L230 K236 T237 R272V125-L230 HydrophobicContact CG1-CD1 4.48Å; V125-L230 HydrophobicContact CG1-CD2 4.02Å; V125-L230 HydrophobicContact CG2-CD1 4.18Å; V125-K236 HydrophobicContact CG1-CB 4.32Å; V125-T237 WeakPolarHBondContact CA-O 3.4Å; V125-R272 PolarHBondContact O-NH2 3.39Å
126V97.3Very high96.9Very high4 Ų432.4 Ų32.42%0.02417%0.171CC..EExtended strand (participates in β ladder)trans-116.6131.4179.3-174.20000108.1V124 Q128 L133 K236 T237 R272 L275V124-V126 HydrophobicContact CG2-CG2 4.11Å; V126-Q128 HydrophobicContact CG1-CB 4.06Å; V126-Q128 HydrophobicContact CG1-CG 4.18Å; V126-Q128 PolarHBondContact O-N 3.2Å; V126-L133 HydrophobicContact CB-CD2 4.26Å; V126-L133 HydrophobicContact CG1-CD1 4.38Å; V126-L133 HydrophobicContact CG2-CD2 4.19Å; V126-K236 CarbonylContact O-C 3.56Å; V126-K236 WeakPolarHBondContact O-CA 3.48Å; V126-T237 PolarHBondContact N-O 3.29Å; V126-T237 PolarHBondContact O-N 3.09Å; V126-R272 HydrophobicContact CG1-CG 4.45Å; V126-L275 HydrophobicContact CG1-CD1 3.74Å
127D96.2Very high97Very high105 Ų10530 Ų3056%0.56116%0.156SC*.SBendtrans-79.548.9-178.9-67.6-36.2000112.4S235 K236D127-S235 CarbonylContact C-O 3.55Å; D127-K236 WeakPolarHBondContact OD1-CD 3.46Å; D127-K236 WeakPolarHBondContact OD1-CE 3.45Å; D127-K236 WeakPolarHBondContact OD1-CG 3.41Å; D127-K236 IonicContact OD1-NZ 2.83Å; D127-K236 PolarHBondContact OD1-NZ 2.84Å; D127-K236 IonicContact OD2-NZ 3.63Å
128Q96.9Very high97.1Very high48 Ų4829.5 Ų29.522%0.22415%0.147CC..SBendtrans-142.1148.7-179.5-68.9-72.7-17.600111.1V126 L133 S235 T237 L275V126-Q128 HydrophobicContact CG1-CB 4.06Å; V126-Q128 HydrophobicContact CG1-CG 4.18Å; V126-Q128 PolarHBondContact O-N 3.2Å; Q128-L133 HydrophobicContact CB-CD1 3.79Å; Q128-S235 CarbonylContact C-O 3.39Å; Q128-S235 VanDerWaalsContact CA-O 3.28Å; Q128-S235 WeakPolarHBondContact CA-O 3.33Å; Q128-S235 PolarHBondContact N-O 3.18Å; Q128-S235 VanDerWaalsContact N-O 3.12Å; Q128-T237 PolarHBondContact O-N 3.38Å; Q128-T237 PolarHBondContact O-OG1 2.87Å; Q128-L275 HydrophobicContact CB-CD1 4.23Å; Q128-L275 HydrophobicContact CG-CB 3.82Å; Q128-L275 HydrophobicContact CG-CD1 4.15Å
129P96Very high97Very high48 Ų4833 Ų3331%0.31216%0.164SC..  trans-60148.1175.8-22.733.1000112.9E131 R132 L133P129-E131 VanDerWaalsContact C-N 3.28Å; P129-E131 PolarHBondContact O-N 2.9Å; P129-R132 HydrophobicContact CB-CG 4.44Å; P129-R132 HydrophobicContact CG-CG 4.5Å; P129-R132 WeakPolarHBondContact O-CB 3.26Å; P129-R132 PolarHBondContact O-N 3.45Å; P129-R132 VanDerWaalsContact O-N 3.09Å; P129-L133 VanDerWaalsContact O-CD1 3.31Å; P129-L133 WeakPolarHBondContact O-CD1 3.47Å
130M96.4Very high96.9Very high4 Ų436.7 Ų36.72%0.0218%0.178CC..Hα-helixtrans-58.6-39.7-175.2-175.9-176.26600112.6R132 L133 Y134 S195 C197 L227 P229 T237M130-R132 PolarHBondContact O-N 3.29Å; M130-L133 WeakPolarHBondContact O-CB 3.31Å; M130-L133 PolarHBondContact O-N 2.62Å; M130-L133 VanDerWaalsContact O-N 3.12Å; M130-Y134 PolarHBondContact O-N 3Å; M130-S195 VanDerWaalsContact CE-O 3.3Å; M130-S195 WeakPolarHBondContact CE-O 3.47Å; M130-C197 HydrophobicContact SD-CB 4.37Å; M130-L227 HydrophobicContact CG-CB 3.71Å; M130-L227 HydrophobicContact CG-CD1 4.4Å; M130-L227 HydrophobicContact SD-CB 4Å; M130-L227 VanDerWaalsContact SD-O 3.35Å; M130-P229 HydrophobicContact CB-CG 4.43Å; M130-P229 HydrophobicContact CE-CG 4.5Å; M130-P229 HydrophobicContact SD-CG 4.11Å; M130-T237 WeakPolarHBondContact CA-OG1 3.33Å; M130-T237 HydrophobicContact CB-CG2 4.13Å; M130-T237 HydrophobicContact CG-CG2 4.13Å; M130-T237 PolarHBondContact N-OG1 3.35Å
131E95Very high96.9Very high102 Ų10237.2 Ų37.248%0.47718%0.181SC..Hα-helixtrans-59.7-34.5-179.8-75.661.1-140.600112.1P129 Y134 E135 R192P129-E131 VanDerWaalsContact C-N 3.28Å; P129-E131 PolarHBondContact O-N 2.9Å; E131-Y134 PolarHBondContact O-N 2.89Å; E131-E135 PolarHBondContact O-N 3.31Å; E131-R192 IonicContact OE1-CZ 3.6Å; E131-R192 IonicContact OE1-NH1 3.27Å; E131-R192 PolarHBondContact OE1-NH1 3.45Å; E131-R192 IonicContact OE1-NH2 3.61Å
132R95.2Very high96.8Very high22 Ų2241.4 Ų41.48%0.08320%0.201CC..Hα-helixtrans-67.3-41176.2-65.2-72.1-68.9152.4-2.5111.6P129 M130 Y134 E135 E136 L275 R278P129-R132 HydrophobicContact CB-CG 4.44Å; P129-R132 HydrophobicContact CG-CG 4.5Å; P129-R132 WeakPolarHBondContact O-CB 3.26Å; P129-R132 PolarHBondContact O-N 3.45Å; P129-R132 VanDerWaalsContact O-N 3.09Å; M130-R132 PolarHBondContact O-N 3.29Å; R132-Y134 VanDerWaalsContact C-N 3.35Å; R132-E135 IonicContact NH1-OE2 3.92Å; R132-E135 PolarHBondContact NH1-OE2 2.85Å; R132-E136 PolarHBondContact O-N 3.39Å; R132-L275 HydrophobicContact CB-CD2 4.16Å; R132-R278 PolarHBondContact NH2-O 3.11Å
133L97.5Very high96.7Very high0 Ų042.4 Ų42.40%021%0.209CC..Hα-helixtrans-66.4-40.7174.7-77.576.7000110.6V126 Q128 P129 M130 E136 L137 L227 T237 L239 L271 L275V126-L133 HydrophobicContact CB-CD2 4.26Å; V126-L133 HydrophobicContact CG1-CD1 4.38Å; V126-L133 HydrophobicContact CG2-CD2 4.19Å; Q128-L133 HydrophobicContact CB-CD1 3.79Å; P129-L133 VanDerWaalsContact O-CD1 3.31Å; P129-L133 WeakPolarHBondContact O-CD1 3.47Å; M130-L133 WeakPolarHBondContact O-CB 3.31Å; M130-L133 PolarHBondContact O-N 2.62Å; M130-L133 VanDerWaalsContact O-N 3.12Å; L133-E136 PolarHBondContact O-N 3.45Å; L133-L137 HydrophobicContact CB-CD1 4.35Å; L133-L137 WeakPolarHBondContact O-CB 3.24Å; L133-L137 WeakPolarHBondContact O-CG 3.19Å; L133-L137 PolarHBondContact O-N 3.17Å; L133-L227 HydrophobicContact CB-CD1 4Å; L133-L227 HydrophobicContact CB-CD2 4.13Å; L133-L227 HydrophobicContact CD2-CD2 3.96Å; L133-T237 HydrophobicContact CD2-CG2 3.96Å; L133-L239 HydrophobicContact CD2-CB 4.49Å; L133-L271 HydrophobicContact CD2-CD2 4.42Å; L133-L275 HydrophobicContact CD1-CD1 3.82Å; L133-L275 HydrophobicContact CG-CD1 3.93Å
134Y97Very high96.7Very high42 Ų4241.4 Ų41.417%0.16521%0.205CC..Hα-helixtrans-62.6-43.7178.2-173.4-93.7000112M130 E131 R132 V138 E139 C197 L227M130-Y134 PolarHBondContact O-N 3Å; E131-Y134 PolarHBondContact O-N 2.89Å; R132-Y134 VanDerWaalsContact C-N 3.35Å; Y134-V138 HydrophobicContact CD2-CB 4.33Å; Y134-V138 HydrophobicContact CD2-CG2 3.86Å; Y134-V138 HydrophobicContact CE1-CB 4.35Å; Y134-V138 HydrophobicContact CE1-CG1 4.49Å; Y134-V138 HydrophobicContact CE2-CB 4.1Å; Y134-V138 HydrophobicContact CE2-CG1 4.25Å; Y134-V138 HydrophobicContact CE2-CG2 3.78Å; Y134-V138 HydrophobicContact CG-CG2 4.45Å; Y134-V138 WeakPolarHBondContact O-CA 3.23Å; Y134-V138 VanDerWaalsContact O-CB 3.31Å; Y134-V138 WeakPolarHBondContact O-CB 3.23Å; Y134-V138 PolarHBondContact O-N 3.06Å; Y134-E139 HydrophobicContact CD1-CG 4.11Å; Y134-E139 HydrophobicContact CE1-CG 3.93Å; Y134-E139 WeakPolarHBondContact CE1-OE1 3.36Å; Y134-E139 PolarHBondContact O-N 2.98Å; Y134-C197 HydrophobicContact CD2-CB 3.7Å; Y134-C197 HydrophobicContact CE2-CB 4.1Å; Y134-L227 HydrophobicContact CD2-CD1 4.44Å
135E96.4Very high96.5Very high35 Ų3542.5 Ų42.516%0.16422%0.218CC..Iπ-helixtrans-56.7-54.3175-173.4-165.6161.200111E131 R132 L137 E139 R140E131-E135 PolarHBondContact O-N 3.31Å; R132-E135 IonicContact NH1-OE2 3.92Å; R132-E135 PolarHBondContact NH1-OE2 2.85Å; E135-L137 PolarHBondContact O-N 2.91Å; E135-E139 PolarHBondContact O-N 3.17Å; E135-E139 VanDerWaalsContact O-N 3.16Å; E135-R140 HydrophobicContact CG-CG 4.17Å; E135-R140 WeakPolarHBondContact O-CB 3.34Å; E135-R140 PolarHBondContact O-N 2.95Å; E135-R140 WeakPolarHBondContact OE1-CD 3.31Å; E135-R140 IonicContact OE1-NH1 3.85Å
136E96.5Very high96.4Very high0 Ų046.1 Ų46.10%023%0.23CC..Iπ-helixtrans-70.6-32.6-176.3-68.5-72.2165.800113.2R132 L133 R274 L275 R278R132-E136 PolarHBondContact O-N 3.39Å; L133-E136 PolarHBondContact O-N 3.45Å; E136-R274 HydrophobicContact CG-CG 4.48Å; E136-R274 IonicContact OE1-CZ 3.89Å; E136-R274 IonicContact OE1-NE 3.67Å; E136-R274 PolarHBondContact OE1-NE 3.46Å; E136-R274 IonicContact OE1-NH2 3.73Å; E136-R274 IonicContact OE2-CZ 3.92Å; E136-R274 IonicContact OE2-NE 2.77Å; E136-R274 PolarHBondContact OE2-NE 2.86Å; E136-R274 IonicContact OE2-NH2 3.49Å; E136-R274 PolarHBondContact OE2-NH2 2.75Å; E136-R274 VanDerWaalsContact OE2-NH2 3.14Å; E136-L275 HydrophobicContact CG-CD2 3.98Å; E136-R278 IonicContact OE1-CZ 2.77Å; E136-R278 IonicContact OE1-NH1 2.79Å; E136-R278 PolarHBondContact OE1-NH1 3.15Å
137L96.9Very high96.3Very high4 Ų447.1 Ų47.12%0.02123%0.234CC..Iπ-helixtrans-91.8-22.4-175.5-62.7178.3000114.3L133 E135 M144 W147 M225 L227 F267 L271L133-L137 HydrophobicContact CB-CD1 4.35Å; L133-L137 WeakPolarHBondContact O-CB 3.24Å; L133-L137 WeakPolarHBondContact O-CG 3.19Å; L133-L137 PolarHBondContact O-N 3.17Å; E135-L137 PolarHBondContact O-N 2.91Å; L137-M144 HydrophobicContact CD2-CE 3.87Å; L137-W147 HydrophobicContact CD2-CH2 4.21Å; L137-W147 HydrophobicContact CD2-CZ2 4.38Å; L137-M225 HydrophobicContact CD1-SD 4.34Å; L137-L227 HydrophobicContact CD1-CD2 4.09Å; L137-F267 HydrophobicContact CD2-CE2 4.01Å; L137-F267 HydrophobicContact CD2-CZ 3.6Å; L137-L271 HydrophobicContact CD1-CD2 4.28Å; L137-L271 HydrophobicContact CD2-CD1 3.99Å; L137-L271 HydrophobicContact CD2-CD2 4.4Å; L137-L271 HydrophobicContact CG-CD1 4.41Å
138V95.9Very high96.3Very high19 Ų1942.3 Ų42.312%0.11521%0.208CC..Iπ-helixtrans-121.3-59.8-176-173.70000111.1Y134 R140 M141 A190 L199Y134-V138 HydrophobicContact CD2-CB 4.33Å; Y134-V138 HydrophobicContact CD2-CG2 3.86Å; Y134-V138 HydrophobicContact CE1-CB 4.35Å; Y134-V138 HydrophobicContact CE1-CG1 4.49Å; Y134-V138 HydrophobicContact CE2-CB 4.1Å; Y134-V138 HydrophobicContact CE2-CG1 4.25Å; Y134-V138 HydrophobicContact CE2-CG2 3.78Å; Y134-V138 HydrophobicContact CG-CG2 4.45Å; Y134-V138 WeakPolarHBondContact O-CA 3.23Å; Y134-V138 VanDerWaalsContact O-CB 3.31Å; Y134-V138 WeakPolarHBondContact O-CB 3.23Å; Y134-V138 PolarHBondContact O-N 3.06Å; V138-R140 VanDerWaalsContact C-N 3.31Å; V138-R140 PolarHBondContact O-N 2.81Å; V138-M141 HydrophobicContact CB-CE 4.48Å; V138-M141 HydrophobicContact CG1-CE 4.25Å; V138-M141 WeakPolarHBondContact O-CE 3.46Å; V138-M141 WeakPolarHBondContact O-CG 3.45Å; V138-A190 HydrophobicContact CG1-CB 3.76Å; V138-L199 HydrophobicContact CG2-CB 4.35Å; V138-L199 HydrophobicContact CG2-CD2 4.36Å
139E96Very high96.2Very high135 Ų13543.9 Ų43.963%0.63122%0.222SC*.Iπ-helixtrans-69.3-32.8-172.5-59.3178.3171.500112.1Y134 E135Y134-E139 HydrophobicContact CD1-CG 4.11Å; Y134-E139 HydrophobicContact CE1-CG 3.93Å; Y134-E139 WeakPolarHBondContact CE1-OE1 3.36Å; Y134-E139 PolarHBondContact O-N 2.98Å; E135-E139 PolarHBondContact O-N 3.17Å; E135-E139 VanDerWaalsContact O-N 3.16Å
140R96.5Very high96.1Very high78 Ų7843.4 Ų43.429%0.29422%0.217SC..THydrogen-bonded Turntrans-115.324-177.4-57.9-18060.9132.78.2113.5E135 V138 E142 A143 R278E135-R140 HydrophobicContact CG-CG 4.17Å; E135-R140 WeakPolarHBondContact O-CB 3.34Å; E135-R140 PolarHBondContact O-N 2.95Å; E135-R140 WeakPolarHBondContact OE1-CD 3.31Å; E135-R140 IonicContact OE1-NH1 3.85Å; V138-R140 VanDerWaalsContact C-N 3.31Å; V138-R140 PolarHBondContact O-N 2.81Å; R140-E142 PolarHBondContact O-N 3.44Å; R140-E142 VanDerWaalsContact O-N 3.15Å; R140-A143 WeakPolarHBondContact O-CB 3.38Å; R140-A143 PolarHBondContact O-N 2.89Å; R140-R278 VanDerWaalsContact NH2-NH2 3.2Å
141M97Very high96Very high14 Ų1443.5 Ų43.57%0.06922%0.218CC..G310 helixtrans-58.5-30.2-175.864.8172.158.200114V138 A143 M144 I154 V156 F165 T167 L199V138-M141 HydrophobicContact CB-CE 4.48Å; V138-M141 HydrophobicContact CG1-CE 4.25Å; V138-M141 WeakPolarHBondContact O-CE 3.46Å; V138-M141 WeakPolarHBondContact O-CG 3.45Å; M141-A143 PolarHBondContact O-N 3.45Å; M141-M144 WeakPolarHBondContact O-CB 3.05Å; M141-M144 PolarHBondContact O-N 3.25Å; M141-I154 HydrophobicContact CG-CG2 4.48Å; M141-V156 HydrophobicContact SD-CG2 4.31Å; M141-F165 HydrophobicContact CE-CE2 3.39Å; M141-F165 HydrophobicContact CE-CZ 3.44Å; M141-F165 VanDerWaalsContact CE-CZ 3.44Å; M141-F165 HydrophobicContact SD-CD2 4.34Å; M141-F165 HydrophobicContact SD-CE2 3.53Å; M141-F165 VanDerWaalsContact SD-CE2 3.53Å; M141-F165 HydrophobicContact SD-CZ 4.21Å; M141-T167 HydrophobicContact SD-CG2 3.93Å; M141-L199 HydrophobicContact CE-CD1 4.5Å; M141-L199 HydrophobicContact CE-CD2 4.46Å
142E98.1Very high96.1Very high107 Ų10745.9 Ų45.950%0.523%0.227SC..G310 helixtrans-62.8-26.3176.4-63.9-169113.900112.5R140 M144 I154 K155 V156R140-E142 PolarHBondContact O-N 3.44Å; R140-E142 VanDerWaalsContact O-N 3.15Å; E142-M144 VanDerWaalsContact C-N 3.33Å; E142-I154 WeakPolarHBondContact CA-O 3.49Å; E142-I154 WeakPolarHBondContact CB-O 3.4Å; E142-I154 WeakPolarHBondContact CG-O 3.45Å; E142-K155 WeakPolarHBondContact OE1-CA 3.13Å; E142-V156 HydrophobicContact CG-CG2 3.87Å; E142-V156 PolarHBondContact OE1-N 3.19Å
143A96.4Very high96.2Very high20 Ų2048.3 Ų48.317%0.16524%0.239CC..G310 helixtrans-87.64.217500000113.3R140 M141 G145 E146R140-A143 WeakPolarHBondContact O-CB 3.38Å; R140-A143 PolarHBondContact O-N 2.89Å; M141-A143 PolarHBondContact O-N 3.45Å; A143-G145 PolarHBondContact O-N 3Å; A143-E146 HydrophobicContact CB-CG 4.44Å; A143-E146 VanDerWaalsContact O-CB 3.31Å; A143-E146 WeakPolarHBondContact O-CB 3.35Å; A143-E146 WeakPolarHBondContact O-CG 3.32Å; A143-E146 PolarHBondContact O-N 3.5Å; A143-E146 VanDerWaalsContact O-N 3.09Å
144M96.7Very high96.2Very high17 Ų1748.9 Ų48.98%0.08424%0.242CC..G310 helixtrans-59.7-34.2-178.5-178.1172.8-63.100112.7L137 M141 E142 E146 W147 N148 V151 I154 F267L137-M144 HydrophobicContact CD2-CE 3.87Å; M141-M144 WeakPolarHBondContact O-CB 3.05Å; M141-M144 PolarHBondContact O-N 3.25Å; E142-M144 VanDerWaalsContact C-N 3.33Å; M144-E146 PolarHBondContact O-N 3.32Å; M144-W147 HydrophobicContact CB-CZ2 4.25Å; M144-W147 HydrophobicContact CE-CH2 4.19Å; M144-W147 HydrophobicContact CE-CZ2 3.97Å; M144-W147 HydrophobicContact CG-CH2 3.97Å; M144-W147 HydrophobicContact CG-CZ2 3.61Å; M144-W147 PolarHBondContact O-N 2.91Å; M144-W147 VanDerWaalsContact O-N 3.17Å; M144-W147 HydrophobicContact SD-CH2 4.34Å; M144-W147 HydrophobicContact SD-CZ2 4.34Å; M144-N148 HydrophobicContact CG-CB 3.87Å; M144-N148 WeakPolarHBondContact O-CB 3.4Å; M144-N148 PolarHBondContact O-N 3.3Å; M144-V151 HydrophobicContact SD-CG2 4.39Å; M144-I154 HydrophobicContact CB-CD1 3.96Å; M144-I154 HydrophobicContact CG-CD1 4.44Å; M144-I154 HydrophobicContact SD-CD1 4.06Å; M144-F267 HydrophobicContact CE-CE2 4.41Å; M144-F267 HydrophobicContact SD-CE2 4.39Å
145G95.1Very high96.3Very high29 Ų2951.1 Ų51.130%0.29925%0.253SS..G310 helixtrans-63.7-17.1177.900000114.3A143 W147 V151A143-G145 PolarHBondContact O-N 3Å; G145-W147 VanDerWaalsContact C-N 3.29Å; G145-W147 PolarHBondContact O-N 3.12Å; G145-V151 VanDerWaalsContact CA-O 3.32Å; G145-V151 WeakPolarHBondContact CA-O 3.16Å
146E95.5Very high96.4Very high135 Ų13551.1 Ų51.163%0.63126%0.255SS*.G310 helixtrans-68.5-29.3175.3-62.1175.2-179.300112.6A143 M144 R274A143-E146 HydrophobicContact CB-CG 4.44Å; A143-E146 VanDerWaalsContact O-CB 3.31Å; A143-E146 WeakPolarHBondContact O-CB 3.35Å; A143-E146 WeakPolarHBondContact O-CG 3.32Å; A143-E146 PolarHBondContact O-N 3.5Å; A143-E146 VanDerWaalsContact O-N 3.09Å; M144-E146 PolarHBondContact O-N 3.32Å; E146-R274 IonicContact OE2-NH1 3.5Å; E146-R274 IonicContact OE2-NH2 2.76Å
147W95.6Very high96.5Very high25 Ų2553.3 Ų53.310%0.09527%0.266CS..THydrogen-bonded Turntrans-125.1-12.5-172.360.9-98000114.1L137 M144 G145 P149 F267 H270 L271 R274L137-W147 HydrophobicContact CD2-CH2 4.21Å; L137-W147 HydrophobicContact CD2-CZ2 4.38Å; M144-W147 HydrophobicContact CB-CZ2 4.25Å; M144-W147 HydrophobicContact CE-CH2 4.19Å; M144-W147 HydrophobicContact CE-CZ2 3.97Å; M144-W147 HydrophobicContact CG-CH2 3.97Å; M144-W147 HydrophobicContact CG-CZ2 3.61Å; M144-W147 PolarHBondContact O-N 2.91Å; M144-W147 VanDerWaalsContact O-N 3.17Å; M144-W147 HydrophobicContact SD-CH2 4.34Å; M144-W147 HydrophobicContact SD-CZ2 4.34Å; G145-W147 VanDerWaalsContact C-N 3.29Å; G145-W147 PolarHBondContact O-N 3.12Å; W147-P149 WeakPolarHBondContact O-CD 2.98Å; W147-F267 HydrophobicContact CH2-CE2 4.01Å; W147-H270 HydrophobicContact CE3-CB 3.89Å; W147-H270 HydrophobicContact CZ3-CB 4.02Å; W147-H270 PolarHBondContact O-CD2 3.33Å; W147-L271 HydrophobicContact CH2-CB 4.31Å; W147-L271 HydrophobicContact CH2-CD1 3.97Å; W147-L271 HydrophobicContact CZ2-CD1 4.45Å; W147-L271 HydrophobicContact CZ3-CB 4.07Å; W147-L271 HydrophobicContact CZ3-CD1 4.43Å; W147-R274 HydrophobicContact CB-CB 4.14Å; W147-R274 HydrophobicContact CB-CG 4.23Å; W147-R274 HydrophobicContact CD2-CB 3.87Å; W147-R274 HydrophobicContact CD2-CG 3.86Å; W147-R274 HydrophobicContact CE3-CB 4.05Å; W147-R274 HydrophobicContact CG-CB 3.92Å; W147-R274 HydrophobicContact CG-CG 3.71Å
148N96.3Very high96.5Very high5 Ų555.8 Ų55.83%0.02728%0.278CS..  trans-112.8100.3176.8-175.60.6000110.8M144 N150 V151M144-N148 HydrophobicContact CG-CB 3.87Å; M144-N148 WeakPolarHBondContact O-CB 3.4Å; M144-N148 PolarHBondContact O-N 3.3Å; N148-N150 PolarHBondContact O-N 3.09Å; N148-N150 WeakPolarHBondContact OD1-CB 3.32Å; N148-N150 PolarHBondContact OD1-N 3.5Å; N148-V151 PolarHBondContact O-N 3Å; N148-V151 VanDerWaalsContact O-O 3.06Å
149P94.7Very high96.6Very high80 Ų8062.6 Ų62.652%0.51931%0.306SS..THydrogen-bonded Turntrans-60.2-18179.9-2535.2000115.1W147 V151 A172 H270W147-P149 WeakPolarHBondContact O-CD 2.98Å; P149-V151 PolarHBondContact O-N 3.05Å; P149-A172 WeakPolarHBondContact O-CB 3.31Å; P149-H270 WeakPolarHBondContact CD-CD2 3.28Å; P149-H270 WeakPolarHBondContact CD-NE2 3.21Å; P149-H270 WeakPolarHBondContact CG-NE2 3.42Å
150N93.5Very high96.7Very high38 Ų3856.2 Ų56.220%0.20328%0.276CS..THydrogen-bonded Turntrans-76.9-10.1176.7-67.1-31.4000112.5N148 A172 D266N148-N150 PolarHBondContact O-N 3.09Å; N148-N150 WeakPolarHBondContact OD1-CB 3.32Å; N148-N150 PolarHBondContact OD1-N 3.5Å; N150-A172 PolarHBondContact O-N 2.73Å; N150-D266 WeakPolarHBondContact ND2-CB 3.5Å
151V95.3Very high96.6Very high7 Ų754.3 Ų54.34%0.04228%0.281CS..EExtended strand (participates in β ladder)trans-120.9121.7-178.1176.90000108.4M144 G145 N148 P149 I154M144-V151 HydrophobicContact SD-CG2 4.39Å; G145-V151 VanDerWaalsContact CA-O 3.32Å; G145-V151 WeakPolarHBondContact CA-O 3.16Å; N148-V151 PolarHBondContact O-N 3Å; N148-V151 VanDerWaalsContact O-O 3.06Å; P149-V151 PolarHBondContact O-N 3.05Å; V151-I154 HydrophobicContact CG1-CD1 3.85Å; V151-I154 HydrophobicContact CG1-CG1 3.51Å
152K95.9Very high96.4Very high151 Ų15161.1 Ų61.166%0.65731%0.31SS*.EExtended strand (participates in β ladder)trans-82.7-45.8176.7-178.1176.5175.7-176.70111.6M170K152-M170 HydrophobicContact CB-CB 4.41Å; K152-M170 HydrophobicContact CB-CG 4.31Å; K152-M170 WeakPolarHBondContact CB-O 3.17Å; K152-M170 HydrophobicContact CD-CG 4.26Å; K152-M170 HydrophobicContact CD-SD 3.9Å; K152-M170 PolarHBondContact N-O 3.04Å
153E96.7Very high96.3Very high74 Ų7459 Ų5935%0.34630%0.303SS..EExtended strand (participates in β ladder)trans-156.3142.5-177.5-171.4177.9-127.500110K155 M170E153-K155 HydrophobicContact CG-CG 4.2Å; E153-K155 WeakPolarHBondContact OE1-CE 3.42Å; E153-K155 IonicContact OE1-NZ 2.87Å; E153-K155 PolarHBondContact OE1-NZ 2.93Å; E153-K155 WeakPolarHBondContact OE2-CE 3.39Å; E153-K155 IonicContact OE2-NZ 3.05Å; E153-K155 PolarHBondContact OE2-NZ 3.27Å; E153-M170 HydrophobicContact CB-CB 4.45Å; E153-M170 PolarHBondContact N-O 2.91Å; E153-M170 PolarHBondContact O-N 2.99Å
154I98.3Very high96.4Very high11 Ų1158.4 Ų58.46%0.05630%0.297CS..EExtended strand (participates in β ladder)trans-124.5130.4166-56.5-175.1000107.6M141 E142 M144 V151 H168 E169M141-I154 HydrophobicContact CG-CG2 4.48Å; E142-I154 WeakPolarHBondContact CA-O 3.49Å; E142-I154 WeakPolarHBondContact CB-O 3.4Å; E142-I154 WeakPolarHBondContact CG-O 3.45Å; M144-I154 HydrophobicContact CB-CD1 3.96Å; M144-I154 HydrophobicContact CG-CD1 4.44Å; M144-I154 HydrophobicContact SD-CD1 4.06Å; V151-I154 HydrophobicContact CG1-CD1 3.85Å; V151-I154 HydrophobicContact CG1-CG1 3.51Å; I154-H168 CarbonylContact C-O 3.59Å; I154-H168 WeakPolarHBondContact CA-O 3.3Å; I154-E169 HydrophobicContact CD1-CG 4.4Å; I154-E169 HydrophobicContact CG1-CB 4.35Å; I154-E169 HydrophobicContact CG1-CG 4.08Å
155K98.4Very high96.5Very high89 Ų8958.5 Ų58.539%0.38730%0.297SS..EExtended strand (participates in β ladder)trans-123.9129.9175.1-77.7176.9170.8140.80110.8E142 E153 L157 T167 H168E142-K155 WeakPolarHBondContact OE1-CA 3.13Å; E153-K155 HydrophobicContact CG-CG 4.2Å; E153-K155 WeakPolarHBondContact OE1-CE 3.42Å; E153-K155 IonicContact OE1-NZ 2.87Å; E153-K155 PolarHBondContact OE1-NZ 2.93Å; E153-K155 WeakPolarHBondContact OE2-CE 3.39Å; E153-K155 IonicContact OE2-NZ 3.05Å; E153-K155 PolarHBondContact OE2-NZ 3.27Å; K155-L157 HydrophobicContact CB-CD2 4.37Å; K155-L157 PolarHBondContact O-N 2.83Å; K155-T167 CarbonylContact O-C 3.47Å; K155-T167 VanDerWaalsContact O-CA 3.26Å; K155-T167 WeakPolarHBondContact O-CA 3.4Å; K155-H168 PolarHBondContact N-O 2.82Å; K155-H168 PolarHBondContact O-N 2.77Å
156V98.6Very high96.7Very high35 Ų3557.1 Ų57.121%0.21228%0.282CS..EExtended strand (participates in β ladder)trans-82.3109.6168.8179.80000108.1M141 E142 K159 F165 I166 T167M141-V156 HydrophobicContact SD-CG2 4.31Å; E142-V156 HydrophobicContact CG-CG2 3.87Å; E142-V156 PolarHBondContact OE1-N 3.19Å; V156-K159 HydrophobicContact CG1-CG 3.85Å; V156-F165 HydrophobicContact CG1-CB 4.21Å; V156-I166 CarbonylContact C-O 3.5Å; V156-T167 HydrophobicContact CG2-CG2 4.39Å
157L98.6Very high96.8Very high46 Ų4650.8 Ų50.824%0.24125%0.253CS..EExtended strand (participates in β ladder)trans-78.4-38.8-176.9-55.8-177.3000112.3K155 I166 H168 F206 M209K155-L157 HydrophobicContact CB-CD2 4.37Å; K155-L157 PolarHBondContact O-N 2.83Å; L157-I166 HydrophobicContact CB-CB 4.43Å; L157-I166 HydrophobicContact CB-CG2 4.36Å; L157-I166 HydrophobicContact CD1-CG2 4.08Å; L157-I166 PolarHBondContact N-O 3.25Å; L157-H168 HydrophobicContact CD1-CB 4.02Å; L157-H168 HydrophobicContact CD2-CB 3.85Å; L157-H168 HydrophobicContact CG-CB 4.05Å; L157-F206 HydrophobicContact CB-CD1 4.31Å; L157-F206 HydrophobicContact CB-CE1 3.72Å; L157-F206 HydrophobicContact CB-CZ 4.1Å; L157-F206 HydrophobicContact CD1-CD1 3.42Å; L157-F206 VanDerWaalsContact CD1-CD1 3.42Å; L157-F206 HydrophobicContact CD1-CE1 3.64Å; L157-F206 HydrophobicContact CD1-CG 4.26Å; L157-F206 HydrophobicContact CG-CE1 4.29Å; L157-M209 HydrophobicContact CD1-CB 3.73Å; L157-M209 HydrophobicContact CD1-CG 4.09Å; L157-M209 HydrophobicContact CD2-CE 3.77Å
158Q98.3Very high97Very high57 Ų5750 Ų5027%0.26625%0.251SS..EExtended strand (participates in β ladder)trans-155.6138.6-179-174.9176.7-9.900110.2I160 F165 I166 F206Q158-I160 HydrophobicContact CG-CG1 3.97Å; Q158-F165 CarbonylContact O-C 3.57Å; Q158-F165 WeakPolarHBondContact O-CA 3.44Å; Q158-F165 WeakPolarHBondContact O-CB 3.44Å; Q158-I166 HydrophobicContact CB-CD1 4.36Å; Q158-I166 PolarHBondContact O-N 2.8Å; Q158-F206 HydrophobicContact CB-CE2 4.39Å; Q158-F206 HydrophobicContact CB-CZ 4.35Å
159K97.9Very high97.1Very high161 Ų16151.3 Ų51.370%0.726%0.256SS*.EExtended strand (participates in β ladder)trans-103.1136.6167.3-65.7-176.1177.6-179.80109.3V156 F165V156-K159 HydrophobicContact CG1-CG 3.85Å; K159-F165 HydrophobicContact CG-CB 4.12Å
160I97.5Very high97.2Very high1 Ų149.4 Ų49.41%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-130.7105.9-175.5-52.2172.8000108Y68 E72 Y75 L76 Q158 T164 I166Y68-I160 HydrophobicContact CD1-CG2 3.91Å; Y68-I160 HydrophobicContact CE1-CG2 3.8Å; E72-I160 HydrophobicContact CB-CG2 3.79Å; E72-I160 HydrophobicContact CG-CD1 4.24Å; E72-I160 HydrophobicContact CG-CG1 4.36Å; E72-I160 HydrophobicContact CG-CG2 3.98Å; Y75-I160 HydrophobicContact CD2-CD1 3.48Å; Y75-I160 VanDerWaalsContact CD2-CD1 3.48Å; Y75-I160 HydrophobicContact CE2-CD1 4.46Å; Y75-I160 HydrophobicContact CG-CD1 3.89Å; L76-I160 HydrophobicContact CD1-CG2 4.15Å; L76-I160 HydrophobicContact CD2-CG2 4.11Å; L76-I160 HydrophobicContact CG-CG2 3.92Å; Q158-I160 HydrophobicContact CG-CG1 3.97Å; I160-T164 CarbonylContact C-O 3.49Å; I160-T164 HydrophobicContact CB-CG2 4.49Å; I160-T164 PolarHBondContact N-O 3.05Å; I160-T164 WeakPolarHBondContact O-CB 3.49Å; I160-T164 PolarHBondContact O-N 2.84Å; I160-I166 HydrophobicContact CD1-CD1 4.18Å; I160-I166 HydrophobicContact CD1-CG1 4.39Å
161G94.5Very high97.2Very high39 Ų3948.7 Ų48.740%0.40224%0.241SC..THydrogen-bonded Turntrans66.9-144.8-173.500000112.5Y68Y68-G161 WeakPolarHBondContact OH-CA 3.4Å
162K92.8Very high96.9Very high156 Ų15649.8 Ų49.868%0.67825%0.25SS*.THydrogen-bonded Turntrans-89.5-42-174.1-68.9174.4177.2163.30112.9E64E64-K162 IonicContact OE1-NZ 3.81Å; E64-K162 PolarHBondContact OE1-NZ 2.73Å; E64-K162 IonicContact OE2-NZ 3.29Å; E64-K162 PolarHBondContact OE2-NZ 2.88Å
163D96.1Very high96.2Very high64 Ų6448.3 Ų48.334%0.34225%0.245SC..THydrogen-bonded Turntrans-110.2-19.1-164.1-59.2-25.3000113.3C189 A190 K191D163-C189 CarbonylContact O-C 3.58Å; D163-C189 WeakPolarHBondContact O-CA 3.21Å; D163-A190 VanDerWaalsContact CB-O 3.3Å; D163-A190 WeakPolarHBondContact CB-O 3.36Å; D163-A190 PolarHBondContact O-N 2.95Å; D163-K191 HydrophobicContact CB-CG 4.07Å; D163-K191 WeakPolarHBondContact OD2-CE 3.28Å; D163-K191 WeakPolarHBondContact OD2-CG 3.27Å
164T98.2Very high95.1Very high6 Ų645.9 Ų45.94%0.03724%0.238CC..EExtended strand (participates in β ladder)trans-107.8137-169.1-61.40000111.2L76 I160 V187 R188L76-T164 HydrophobicContact CD2-CG2 4.31Å; I160-T164 CarbonylContact C-O 3.49Å; I160-T164 HydrophobicContact CB-CG2 4.49Å; I160-T164 PolarHBondContact N-O 3.05Å; I160-T164 WeakPolarHBondContact O-CB 3.49Å; I160-T164 PolarHBondContact O-N 2.84Å; T164-V187 HydrophobicContact CG2-CG2 3.69Å; T164-R188 VanDerWaalsContact CA-O 3.29Å; T164-R188 WeakPolarHBondContact CA-O 3.24Å
165F98.4Very high93.8Very high19 Ų1947.6 Ų47.68%0.08325%0.254CS..EExtended strand (participates in β ladder)trans-156156.3179.150.2-87.1000110.7M141 V156 Q158 K159 T167 R188 A190 L199M141-F165 HydrophobicContact CE-CE2 3.39Å; M141-F165 HydrophobicContact CE-CZ 3.44Å; M141-F165 VanDerWaalsContact CE-CZ 3.44Å; M141-F165 HydrophobicContact SD-CD2 4.34Å; M141-F165 HydrophobicContact SD-CE2 3.53Å; M141-F165 VanDerWaalsContact SD-CE2 3.53Å; M141-F165 HydrophobicContact SD-CZ 4.21Å; V156-F165 HydrophobicContact CG1-CB 4.21Å; Q158-F165 CarbonylContact O-C 3.57Å; Q158-F165 WeakPolarHBondContact O-CA 3.44Å; Q158-F165 WeakPolarHBondContact O-CB 3.44Å; K159-F165 HydrophobicContact CG-CB 4.12Å; F165-T167 HydrophobicContact CD2-CG2 3.66Å; F165-T167 HydrophobicContact CE2-CG2 3.82Å; F165-R188 HydrophobicContact CD2-CB 3.9Å; F165-R188 HydrophobicContact CD2-CG 4.35Å; F165-R188 HydrophobicContact CE1-CB 4.4Å; F165-R188 HydrophobicContact CE2-CB 3.43Å; F165-R188 VanDerWaalsContact CE2-CB 3.43Å; F165-R188 HydrophobicContact CE2-CG 3.88Å; F165-R188 HydrophobicContact CZ-CB 3.72Å; F165-R188 PolarHBondContact N-O 2.95Å; F165-R188 PolarHBondContact O-N 3.39Å; F165-A190 HydrophobicContact CE1-CB 4.03Å; F165-A190 HydrophobicContact CZ-CB 4.48Å; F165-L199 HydrophobicContact CZ-CD1 3.84Å
166I98.8Very high92.4Very high0 Ų046.9 Ų46.90%027%0.272CS..EExtended strand (participates in β ladder)trans-105.6131.9179.6-54.4175.4000108Y75 V156 L157 Q158 I160 V185 S186 T204 F206Y75-I166 HydrophobicContact CD1-CD1 4Å; Y75-I166 HydrophobicContact CD2-CD1 3.67Å; Y75-I166 HydrophobicContact CE1-CD1 3.86Å; Y75-I166 HydrophobicContact CE2-CD1 3.47Å; Y75-I166 VanDerWaalsContact CE2-CD1 3.47Å; Y75-I166 HydrophobicContact CG-CD1 3.92Å; V156-I166 CarbonylContact C-O 3.5Å; L157-I166 HydrophobicContact CB-CB 4.43Å; L157-I166 HydrophobicContact CB-CG2 4.36Å; L157-I166 HydrophobicContact CD1-CG2 4.08Å; L157-I166 PolarHBondContact N-O 3.25Å; Q158-I166 HydrophobicContact CB-CD1 4.36Å; Q158-I166 PolarHBondContact O-N 2.8Å; I160-I166 HydrophobicContact CD1-CD1 4.18Å; I160-I166 HydrophobicContact CD1-CG1 4.39Å; I166-V185 HydrophobicContact CG2-CG1 4.29Å; I166-S186 WeakPolarHBondContact CA-O 3.49Å; I166-T204 HydrophobicContact CG2-CG2 4.06Å; I166-F206 HydrophobicContact CD1-CD2 3.44Å; I166-F206 VanDerWaalsContact CD1-CD2 3.44Å; I166-F206 HydrophobicContact CD1-CE2 3.65Å; I166-F206 HydrophobicContact CD1-CG 4.36Å; I166-F206 HydrophobicContact CG2-CB 4.28Å; I166-F206 HydrophobicContact CG2-CD2 4.22Å; I166-F206 HydrophobicContact CG2-CG 4.15Å
167T98.8Very high91.3Very high2 Ų250.5 Ų50.51%0.01229%0.29CS..EExtended strand (participates in β ladder)trans-120.4141.1-179.659.20000111.2M141 K155 V156 F165 V185 S186 R188M141-T167 HydrophobicContact SD-CG2 3.93Å; K155-T167 CarbonylContact O-C 3.47Å; K155-T167 VanDerWaalsContact O-CA 3.26Å; K155-T167 WeakPolarHBondContact O-CA 3.4Å; V156-T167 HydrophobicContact CG2-CG2 4.39Å; F165-T167 HydrophobicContact CD2-CG2 3.66Å; F165-T167 HydrophobicContact CE2-CG2 3.82Å; T167-V185 WeakPolarHBondContact O-CA 3.45Å; T167-S186 PolarHBondContact N-O 3.18Å; T167-S186 PolarHBondContact O-N 2.96Å; T167-S186 PolarHBondContact OG1-O 3.46Å; T167-R188 HydrophobicContact CG2-CG 4Å
168H98.7Very high90.4Very high10 Ų1054.3 Ų54.35%0.04631%0.31CS..EExtended strand (participates in β ladder)trans-100.7123.9158.2-179-131.1000108.8I154 K155 L157 D183 F184 M209I154-H168 CarbonylContact C-O 3.59Å; I154-H168 WeakPolarHBondContact CA-O 3.3Å; K155-H168 PolarHBondContact N-O 2.82Å; K155-H168 PolarHBondContact O-N 2.77Å; L157-H168 HydrophobicContact CD1-CB 4.02Å; L157-H168 HydrophobicContact CD2-CB 3.85Å; L157-H168 HydrophobicContact CG-CB 4.05Å; H168-D183 IonicContact CD2-OD2 2.73Å; H168-D183 IonicContact CE1-OD2 3.89Å; H168-D183 WeakPolarHBondContact NE2-CB 3.29Å; H168-D183 IonicContact NE2-OD2 2.97Å; H168-D183 PolarHBondContact NE2-OD2 2.92Å; H168-F184 CarbonylContact C-O 3.52Å; H168-F184 VanDerWaalsContact CA-O 3.3Å; H168-F184 WeakPolarHBondContact CA-O 3.22Å; H168-F184 PolarHBondContact CD2-O 2.92Å; H168-M209 HydrophobicContact CB-CG 4.44Å
169E98.4Very high89.7Confident32 Ų3251.9 Ų51.915%0.1530%0.299CS..EExtended strand (participates in β ladder)trans-121.1123.4178.8172.7176.4174.500108.8I154 D183 F184 R188I154-E169 HydrophobicContact CD1-CG 4.4Å; I154-E169 HydrophobicContact CG1-CB 4.35Å; I154-E169 HydrophobicContact CG1-CG 4.08Å; E169-D183 CarbonylContact O-C 3.53Å; E169-D183 VanDerWaalsContact O-CA 3.26Å; E169-D183 WeakPolarHBondContact O-CA 3.34Å; E169-F184 HydrophobicContact CB-CB 4.35Å; E169-F184 HydrophobicContact CG-CD2 4.42Å; E169-F184 PolarHBondContact N-O 3.35Å; E169-F184 PolarHBondContact O-N 3.3Å; E169-R188 IonicContact OE2-NH2 3.14Å; E169-R188 PolarHBondContact OE2-NH2 3.43Å
170M97.1Very high89.3Confident39 Ų3945.8 Ų45.819%0.19228%0.282CS..EExtended strand (participates in β ladder)trans-102.2113.6174.3-169.9166.8-65.100108.7K152 E153K152-M170 HydrophobicContact CB-CB 4.41Å; K152-M170 HydrophobicContact CB-CG 4.31Å; K152-M170 WeakPolarHBondContact CB-O 3.17Å; K152-M170 HydrophobicContact CD-CG 4.26Å; K152-M170 HydrophobicContact CD-SD 3.9Å; K152-M170 PolarHBondContact N-O 3.04Å; E153-M170 HydrophobicContact CB-CB 4.45Å; E153-M170 PolarHBondContact N-O 2.91Å; E153-M170 PolarHBondContact O-N 2.99Å
171A94Very high89Confident24 Ų2448.1 Ų48.120%0.19830%0.297CS..EExtended strand (participates in β ladder)trans-72.3146.1174.500000110.2R182 F184A171-R182 PolarHBondContact N-O 3.37Å; A171-F184 HydrophobicContact CB-CE2 4.22Å
172A89Confident89.1Confident29 Ų2947 Ų4724%0.2428%0.281CS..PPolyproline II helixtrans-73.1165.816700000110.6P149 N150 A174P149-A172 WeakPolarHBondContact O-CB 3.31Å; N150-A172 PolarHBondContact O-N 2.73Å; A172-A174 PolarHBondContact O-N 3.49Å
173E80.4Confident89.3Confident120 Ų12039.5 Ų39.556%0.56125%0.248SC*.PPolyproline II helixtrans-62.3131.9175.2-62.8-179.1167.200110.2N177E173-N177 PolarHBondContact OE2-ND2 3.04Å; E173-N177 PolarHBondContact OE2-OD1 3.14Å
174A74.6Confident89.5Confident23 Ų2336.9 Ų36.919%0.1923%0.234CC..BIsolated β-bridgetrans-115.4155.7-177.200000111.5A172 G176 N177 V179 V259A172-A174 PolarHBondContact O-N 3.49Å; A174-G176 PolarHBondContact O-N 3.32Å; A174-N177 PolarHBondContact O-N 3.41Å; A174-V179 HydrophobicContact CB-CB 4.3Å; A174-V179 PolarHBondContact O-N 2.97Å; A174-V259 HydrophobicContact CB-CG1 4.28Å
175A70.6Confident89.5Confident47 Ų4736.8 Ų36.839%0.38823%0.233SC..THydrogen-bonded Turntrans55.644.7174.400000114.8N177 L178 V179 V259A175-N177 VanDerWaalsContact C-N 3.29Å; A175-N177 PolarHBondContact O-N 3.47Å; A175-L178 HydrophobicContact CB-CB 4.28Å; A175-L178 WeakPolarHBondContact O-CB 3.47Å; A175-L178 WeakPolarHBondContact O-CD1 3.43Å; A175-L178 VanDerWaalsContact O-CG 3.32Å; A175-L178 WeakPolarHBondContact O-CG 3.45Å; A175-L178 PolarHBondContact O-N 3.35Å; A175-V179 HydrophobicContact CB-CG2 4.22Å; A175-V259 HydrophobicContact CB-CG2 3.87Å
176G69.4Low89.5Confident75 Ų7535.9 Ų35.977%0.77323%0.229SC*.THydrogen-bonded Turntrans60.939176.800000113A174 L178A174-G176 PolarHBondContact O-N 3.32Å; G176-L178 PolarHBondContact O-N 2.96Å
177N75.4Confident89.5Confident110 Ų11035.9 Ų35.959%0.58823%0.229SC*.THydrogen-bonded Turntrans70.712178.2-53.6-2.9000114.8E173 A174 A175 V179E173-N177 PolarHBondContact OE2-ND2 3.04Å; E173-N177 PolarHBondContact OE2-OD1 3.14Å; A174-N177 PolarHBondContact O-N 3.41Å; A175-N177 VanDerWaalsContact C-N 3.29Å; A175-N177 PolarHBondContact O-N 3.47Å; N177-V179 VanDerWaalsContact C-N 3.3Å
178L78.7Confident89.5Confident126 Ų12637.1 Ų37.166%0.6623%0.234SC*.THydrogen-bonded Turntrans-69.3-30.5169.5-70.2168000112.1A175 G176A175-L178 HydrophobicContact CB-CB 4.28Å; A175-L178 WeakPolarHBondContact O-CB 3.47Å; A175-L178 WeakPolarHBondContact O-CD1 3.43Å; A175-L178 VanDerWaalsContact O-CG 3.32Å; A175-L178 WeakPolarHBondContact O-CG 3.45Å; A175-L178 PolarHBondContact O-N 3.35Å; G176-L178 PolarHBondContact O-N 2.96Å
179V85.5Confident89.5Confident7 Ų736.6 Ų36.64%0.04223%0.232CC..BIsolated β-bridgetrans-104105177179.80000107.5A174 A175 N177 L251 V259A174-V179 HydrophobicContact CB-CB 4.3Å; A174-V179 PolarHBondContact O-N 2.97Å; A175-V179 HydrophobicContact CB-CG2 4.22Å; N177-V179 VanDerWaalsContact C-N 3.3Å; V179-L251 HydrophobicContact CG1-CD1 4.18Å; V179-L251 HydrophobicContact CG2-CD1 4.19Å; V179-L251 HydrophobicContact CG2-CD2 4.48Å; V179-V259 HydrophobicContact CG2-CG2 4.25Å
180G88.3Confident89.4Confident32 Ų3235.3 Ų35.333%0.3323%0.226SC..  trans-55.7166.1176.400000114.2R182G180-R182 VanDerWaalsContact N-NH1 3.13Å; G180-R182 PolarHBondContact O-N 3.34Å; G180-R182 PolarHBondContact O-NH1 2.92Å
181P92.5Very high89.4Confident51 Ų5135.5 Ų35.533%0.33123%0.226SC..  trans-63.5137.7-174.327.2-36000111.7G214 V215 I216P181-G214 VanDerWaalsContact CG-O 3.32Å; P181-G214 WeakPolarHBondContact CG-O 3.29Å; P181-V215 HydrophobicContact CB-CG1 4.49Å; P181-V215 HydrophobicContact CB-CG2 4.41Å; P181-I216 PolarHBondContact O-N 3.06Å
182R95.8Very high89.4Confident14 Ų1440 Ų405%0.05324%0.237CC..EExtended strand (participates in β ladder)trans-130.9141.7179.3-77.6145.1171.6922.4111.2A171 G180 I216 A218 L247 K248 L251A171-R182 PolarHBondContact N-O 3.37Å; G180-R182 VanDerWaalsContact N-NH1 3.13Å; G180-R182 PolarHBondContact O-N 3.34Å; G180-R182 PolarHBondContact O-NH1 2.92Å; R182-I216 WeakPolarHBondContact CA-O 3.24Å; R182-I216 HydrophobicContact CG-CB 4.11Å; R182-A218 HydrophobicContact CB-CB 4.13Å; R182-A218 HydrophobicContact CG-CB 4.13Å; R182-L247 PolarHBondContact NE-O 2.89Å; R182-L247 PolarHBondContact NH2-O 3.24Å; R182-K248 PolarHBondContact NH2-O 2.93Å; R182-L251 VanDerWaalsContact NH2-CD1 3.27Å
183D97.7Very high89.3Confident0 Ų045.8 Ų45.80%025%0.253CS..EExtended strand (participates in β ladder)trans-121.4162.1168.577.1-22.3000110.9H168 E169 V215 I216 R217 A218H168-D183 IonicContact CD2-OD2 2.73Å; H168-D183 IonicContact CE1-OD2 3.89Å; H168-D183 WeakPolarHBondContact NE2-CB 3.29Å; H168-D183 IonicContact NE2-OD2 2.97Å; H168-D183 PolarHBondContact NE2-OD2 2.92Å; E169-D183 CarbonylContact O-C 3.53Å; E169-D183 VanDerWaalsContact O-CA 3.26Å; E169-D183 WeakPolarHBondContact O-CA 3.34Å; D183-V215 HydrophobicContact CB-CG1 3.77Å; D183-I216 PolarHBondContact N-O 2.87Å; D183-I216 VanDerWaalsContact N-O 3.13Å; D183-R217 VanDerWaalsContact CG-NE 3.31Å; D183-R217 VanDerWaalsContact OD1-CA 3.31Å; D183-R217 WeakPolarHBondContact OD1-CA 3.49Å; D183-R217 IonicContact OD1-CZ 3.84Å; D183-R217 IonicContact OD1-NE 3.73Å; D183-R217 PolarHBondContact OD1-NE 3.3Å; D183-R217 IonicContact OD1-NH2 2.63Å; D183-R217 IonicContact OD2-CZ 3.03Å; D183-R217 IonicContact OD2-NE 2.83Å; D183-R217 PolarHBondContact OD2-NE 2.96Å; D183-R217 IonicContact OD2-NH2 2.94Å; D183-R217 PolarHBondContact OD2-NH2 3.32Å; D183-A218 PolarHBondContact O-N 3.48Å
184F98.6Very high89.7Confident9 Ų943.4 Ų43.44%0.03926%0.261CS..EExtended strand (participates in β ladder)trans-132.8136.5-179.3-57.2-92.8000109H168 E169 A171 A218 H220 I245 L247H168-F184 CarbonylContact C-O 3.52Å; H168-F184 VanDerWaalsContact CA-O 3.3Å; H168-F184 WeakPolarHBondContact CA-O 3.22Å; H168-F184 PolarHBondContact CD2-O 2.92Å; E169-F184 HydrophobicContact CB-CB 4.35Å; E169-F184 HydrophobicContact CG-CD2 4.42Å; E169-F184 PolarHBondContact N-O 3.35Å; E169-F184 PolarHBondContact O-N 3.3Å; A171-F184 HydrophobicContact CB-CE2 4.22Å; F184-A218 HydrophobicContact CD1-CB 3.85Å; F184-A218 WeakPolarHBondContact CD1-O 3.23Å; F184-A218 HydrophobicContact CE1-CB 3.25Å; F184-A218 HydrophobicContact CE2-CB 4.43Å; F184-A218 HydrophobicContact CZ-CB 3.59Å; F184-H220 AromaticContact CD1-CD2 3.58Å; F184-H220 AromaticContact CD1-NE2 3.73Å; F184-H220 AromaticContact CG-CD2 3.93Å; F184-H220 AromaticContact CG-NE2 3.88Å; F184-I245 HydrophobicContact CE1-CG2 3.93Å; F184-I245 HydrophobicContact CZ-CD1 4.45Å; F184-I245 HydrophobicContact CZ-CG2 4.28Å; F184-L247 HydrophobicContact CZ-CD2 4.47Å
185V98.8Very high90.3Very high4 Ų445.6 Ų45.62%0.02428%0.275CS..EExtended strand (participates in β ladder)trans-115.8121.8164.4174.30000106.5I166 T167 A203 T204 F206 M209I166-V185 HydrophobicContact CG2-CG1 4.29Å; T167-V185 WeakPolarHBondContact O-CA 3.45Å; V185-A203 WeakPolarHBondContact O-CA 3.45Å; V185-T204 HydrophobicContact CG1-CG2 4.14Å; V185-T204 WeakPolarHBondContact CG1-O 3.28Å; V185-T204 PolarHBondContact O-N 3.46Å; V185-T204 VanDerWaalsContact O-N 3.12Å; V185-F206 HydrophobicContact CG1-CB 3.63Å; V185-M209 HydrophobicContact CG2-CB 4.3Å; V185-M209 HydrophobicContact CG2-CG 3.93Å
186S98.8Very high91.5Very high0 Ų044.6 Ų44.60%026%0.264CS..EExtended strand (participates in β ladder)trans-144.2142.1-170.5-65.30000111.8I166 T167 M202 H220I166-S186 WeakPolarHBondContact CA-O 3.49Å; T167-S186 PolarHBondContact N-O 3.18Å; T167-S186 PolarHBondContact O-N 2.96Å; T167-S186 PolarHBondContact OG1-O 3.46Å; S186-M202 CarbonylContact C-O 3.54Å; S186-M202 VanDerWaalsContact CA-O 3.23Å; S186-M202 WeakPolarHBondContact CA-O 3.3Å; S186-M202 VanDerWaalsContact CB-O 3.23Å; S186-M202 WeakPolarHBondContact CB-O 3.22Å; S186-H220 PolarHBondContact OG-CD2 3.41Å
187V98.8Very high92.8Very high0 Ų041.1 Ų41.10%023%0.228CC..EExtended strand (participates in β ladder)trans-84.6135.6164.864.30000108.2Y75 Q78 T164 G201 M202 T204Y75-V187 WeakPolarHBondContact O-CG2 3.17Å; Q78-V187 HydrophobicContact CB-CG1 3.69Å; T164-V187 HydrophobicContact CG2-CG2 3.69Å; V187-G201 WeakPolarHBondContact O-CA 3.31Å; V187-M202 HydrophobicContact CG1-CG 4.12Å; V187-M202 PolarHBondContact N-O 2.68Å; V187-M202 PolarHBondContact O-N 3.25Å; V187-M202 VanDerWaalsContact O-N 3.11Å; V187-T204 HydrophobicContact CB-CG2 4Å; V187-T204 VanDerWaalsContact N-CG2 3.32Å
188R98.6Very high93.9Very high27 Ų2736.2 Ų36.210%0.10220%0.202CC..EExtended strand (participates in β ladder)trans-124.5148179.9-53.3-67-168.2155.4-0.4109T164 F165 T167 E169 L199 A200 H220T164-R188 VanDerWaalsContact CA-O 3.29Å; T164-R188 WeakPolarHBondContact CA-O 3.24Å; F165-R188 HydrophobicContact CD2-CB 3.9Å; F165-R188 HydrophobicContact CD2-CG 4.35Å; F165-R188 HydrophobicContact CE1-CB 4.4Å; F165-R188 HydrophobicContact CE2-CB 3.43Å; F165-R188 VanDerWaalsContact CE2-CB 3.43Å; F165-R188 HydrophobicContact CE2-CG 3.88Å; F165-R188 HydrophobicContact CZ-CB 3.72Å; F165-R188 PolarHBondContact N-O 2.95Å; F165-R188 PolarHBondContact O-N 3.39Å; T167-R188 HydrophobicContact CG2-CG 4Å; E169-R188 IonicContact OE2-NH2 3.14Å; E169-R188 PolarHBondContact OE2-NH2 3.43Å; R188-L199 HydrophobicContact CB-CD1 4.2Å; R188-A200 CarbonylContact C-O 3.55Å; R188-A200 WeakPolarHBondContact CA-O 3.09Å; R188-H220 PolarHBondContact NH2-NE2 3.01Å
189C97.9Very high94.8Very high0 Ų031.1 Ų31.10%018%0.175CC..EExtended strand (participates in β ladder)trans-134.9114.7178.2-172.10000109M83 D163 A200M83-C189 HydrophobicContact CE-CB 4.09Å; M83-C189 WeakPolarHBondContact CE-O 3.38Å; D163-C189 CarbonylContact O-C 3.58Å; D163-C189 WeakPolarHBondContact O-CA 3.21Å; C189-A200 PolarHBondContact N-O 3.05Å; C189-A200 PolarHBondContact O-N 3.37Å
190A97.8Very high95.4Very high4 Ų430.9 Ų30.93%0.03317%0.174CC..EExtended strand (participates in β ladder)trans-105.1106.7179.200000110V138 D163 F165 V198 L199V138-A190 HydrophobicContact CG1-CB 3.76Å; D163-A190 VanDerWaalsContact CB-O 3.3Å; D163-A190 WeakPolarHBondContact CB-O 3.36Å; D163-A190 PolarHBondContact O-N 2.95Å; F165-A190 HydrophobicContact CE1-CB 4.03Å; F165-A190 HydrophobicContact CZ-CB 4.48Å; A190-V198 CarbonylContact C-O 3.54Å; A190-V198 WeakPolarHBondContact CA-O 3.41Å; A190-L199 HydrophobicContact CB-CD1 4.04Å
191K96.3Very high95.9Very high43 Ų4329.3 Ų29.319%0.18716%0.158CC..EExtended strand (participates in β ladder)trans-120143.6179.5-69.4-171.4173.3-178.20111.9E80 M83 D163 V198E80-K191 IonicContact OE1-NZ 2.68Å; E80-K191 PolarHBondContact OE1-NZ 3.28Å; M83-K191 HydrophobicContact CE-CB 3.82Å; M83-K191 HydrophobicContact CE-CD 4.15Å; M83-K191 HydrophobicContact CE-CG 3.89Å; M83-K191 HydrophobicContact SD-CB 4.16Å; M83-K191 HydrophobicContact SD-CD 4.03Å; M83-K191 HydrophobicContact SD-CG 4.33Å; D163-K191 HydrophobicContact CB-CG 4.07Å; D163-K191 WeakPolarHBondContact OD2-CE 3.28Å; D163-K191 WeakPolarHBondContact OD2-CG 3.27Å; K191-V198 PolarHBondContact N-O 2.74Å; K191-V198 PolarHBondContact O-N 2.8Å
192R94.4Very high96.2Very high118 Ų11828.2 Ų28.245%0.44515%0.149SC..EExtended strand (participates in β ladder)trans-99.8128.6167.8-172.9175.3-71.2-107.52.2109.6E131 T196 C197E131-R192 IonicContact OE1-CZ 3.6Å; E131-R192 IonicContact OE1-NH1 3.27Å; E131-R192 PolarHBondContact OE1-NH1 3.45Å; E131-R192 IonicContact OE1-NH2 3.61Å; R192-T196 CarbonylContact C-O 3.55Å; R192-T196 WeakPolarHBondContact CA-O 3.31Å; R192-C197 PolarHBondContact NE-SG 3.04Å; R192-C197 VanDerWaalsContact NE-SG 3.38Å; R192-C197 PolarHBondContact NH2-SG 2.83Å; R192-C197 VanDerWaalsContact NH2-SG 3.36Å
193R87.4Confident96.4Very high151 Ų15128.8 Ų28.857%0.5716%0.156SC*.EExtended strand (participates in β ladder)trans-123.5100.1174.4-67.6-169.1179.3-167.61109.1S195 T196R193-S195 PolarHBondContact O-N 2.94Å; R193-T196 PolarHBondContact N-O 2.9Å; R193-T196 PolarHBondContact O-N 3.03Å
194G87.4Confident96.4Very high70 Ų7029.4 Ų29.472%0.72216%0.16SC*.THydrogen-bonded Turntrans59.2-122.2-173.800000111T196G194-T196 VanDerWaalsContact C-N 3.32Å
195S88.5Confident96.4Very high70 Ų7035.9 Ų35.949%0.4920%0.195SC..THydrogen-bonded Turntrans-84.22.317858.70000114.5M130 R193 P229M130-S195 VanDerWaalsContact CE-O 3.3Å; M130-S195 WeakPolarHBondContact CE-O 3.47Å; R193-S195 PolarHBondContact O-N 2.94Å; S195-P229 WeakPolarHBondContact O-CD 3.4Å
196T94.4Very high96.3Very high25 Ų2536.8 Ų36.815%0.15320%0.199CC..EExtended strand (participates in β ladder)trans-113.4136.3-174.7-54.30000110.8R192 R193 G194 V198 V226 L227 H228R192-T196 CarbonylContact C-O 3.55Å; R192-T196 WeakPolarHBondContact CA-O 3.31Å; R193-T196 PolarHBondContact N-O 2.9Å; R193-T196 PolarHBondContact O-N 3.03Å; G194-T196 VanDerWaalsContact C-N 3.32Å; T196-V198 HydrophobicContact CG2-CG2 4.26Å; T196-V226 HydrophobicContact CG2-CG1 3.56Å; T196-L227 WeakPolarHBondContact CA-O 3.47Å; T196-L227 VanDerWaalsContact CG2-O 3.24Å; T196-L227 WeakPolarHBondContact CG2-O 3.46Å; T196-H228 PolarHBondContact OG1-ND1 3.24Å
197C97.5Very high96.2Very high2 Ų240.2 Ų40.21%0.01424%0.235CC..EExtended strand (participates in β ladder)trans-106139170.5-74.20000110.3M130 Y134 R192 L227M130-C197 HydrophobicContact SD-CB 4.37Å; Y134-C197 HydrophobicContact CD2-CB 3.7Å; Y134-C197 HydrophobicContact CE2-CB 4.1Å; R192-C197 PolarHBondContact NE-SG 3.04Å; R192-C197 VanDerWaalsContact NE-SG 3.38Å; R192-C197 PolarHBondContact NH2-SG 2.83Å; R192-C197 VanDerWaalsContact NH2-SG 3.36Å; C197-L227 HydrophobicContact CB-CB 4.19Å; C197-L227 HydrophobicContact CB-CD1 4.26Å; C197-L227 PolarHBondContact N-O 3.41Å; C197-L227 PolarHBondContact O-N 2.79Å
198V98.1Very high96Very high7 Ų746.8 Ų46.84%0.04227%0.27CS..EExtended strand (participates in β ladder)trans-130.2122.6178.3-174.10000109.2M83 L87 A190 K191 T196 C224 M225 V226M83-V198 HydrophobicContact CE-CB 4.44Å; M83-V198 HydrophobicContact CE-CG1 4.33Å; M83-V198 HydrophobicContact CG-CG1 4.39Å; L87-V198 HydrophobicContact CD2-CG1 4.28Å; A190-V198 CarbonylContact C-O 3.54Å; A190-V198 WeakPolarHBondContact CA-O 3.41Å; K191-V198 PolarHBondContact N-O 2.74Å; K191-V198 PolarHBondContact O-N 2.8Å; T196-V198 HydrophobicContact CG2-CG2 4.26Å; V198-C224 HydrophobicContact CG1-CB 4.29Å; V198-M225 CarbonylContact C-O 3.57Å; V198-M225 VanDerWaalsContact CA-O 3.31Å; V198-M225 WeakPolarHBondContact CA-O 3.37Å; V198-V226 HydrophobicContact CG1-CG2 4.33Å; V198-V226 HydrophobicContact CG2-CG1 4.38Å; V198-V226 HydrophobicContact CG2-CG2 4.3Å
199L98.5Very high96Very high20 Ų2047.5 Ų47.511%0.10528%0.275CS..EExtended strand (participates in β ladder)trans-101.9113.7165.1175.267.2000107.6V138 M141 F165 R188 A190 C224 M225V138-L199 HydrophobicContact CG2-CB 4.35Å; V138-L199 HydrophobicContact CG2-CD2 4.36Å; M141-L199 HydrophobicContact CE-CD1 4.5Å; M141-L199 HydrophobicContact CE-CD2 4.46Å; F165-L199 HydrophobicContact CZ-CD1 3.84Å; R188-L199 HydrophobicContact CB-CD1 4.2Å; A190-L199 HydrophobicContact CB-CD1 4.04Å; L199-C224 CarbonylContact O-C 3.57Å; L199-C224 WeakPolarHBondContact O-CA 3.37Å; L199-C224 WeakPolarHBondContact O-CB 3.4Å; L199-M225 HydrophobicContact CB-CB 4.44Å; L199-M225 PolarHBondContact N-O 2.77Å; L199-M225 PolarHBondContact O-N 2.98Å
200A98.4Very high95.9Very high1 Ų151.2 Ų51.21%0.00830%0.299CS..EExtended strand (participates in β ladder)trans-114.5161.3176.100000111M83 R188 C189 T223 C224M83-A200 VanDerWaalsContact CA-CB 3.45Å; M83-A200 HydrophobicContact CB-CB 3.61Å; M83-A200 HydrophobicContact CE-CB 4Å; M83-A200 HydrophobicContact CG-CB 4.03Å; R188-A200 CarbonylContact C-O 3.55Å; R188-A200 WeakPolarHBondContact CA-O 3.09Å; C189-A200 PolarHBondContact N-O 3.05Å; C189-A200 PolarHBondContact O-N 3.37Å; A200-T223 CarbonylContact C-O 3.43Å; A200-T223 VanDerWaalsContact CA-O 3.28Å; A200-T223 WeakPolarHBondContact CA-O 3.21Å; A200-C224 HydrophobicContact CB-CB 4.04Å
201G98.3Very high95.9Very high0 Ų056.9 Ų56.90%033%0.325CS..EExtended strand (participates in β ladder)trans-175.5169172.600000113.9V187 T223V187-G201 WeakPolarHBondContact O-CA 3.31Å; G201-T223 PolarHBondContact N-O 3.3Å; G201-T223 PolarHBondContact O-N 3.39Å
202M98.8Very high95.7Very high27 Ų2759.2 Ų59.213%0.13334%0.336CS..EExtended strand (participates in β ladder)trans-151.3165.3173.265.5171.675.100109.6E81 A82 S186 V187E81-M202 HydrophobicContact CB-CE 4.06Å; A82-M202 HydrophobicContact CB-CB 4.13Å; A82-M202 HydrophobicContact CB-CE 3.44Å; A82-M202 VanDerWaalsContact CB-CE 3.44Å; A82-M202 HydrophobicContact CB-CG 4.03Å; S186-M202 CarbonylContact C-O 3.54Å; S186-M202 VanDerWaalsContact CA-O 3.23Å; S186-M202 WeakPolarHBondContact CA-O 3.3Å; S186-M202 VanDerWaalsContact CB-O 3.23Å; S186-M202 WeakPolarHBondContact CB-O 3.22Å; V187-M202 HydrophobicContact CG1-CG 4.12Å; V187-M202 PolarHBondContact N-O 2.68Å; V187-M202 PolarHBondContact O-N 3.25Å; V187-M202 VanDerWaalsContact O-N 3.11Å
203A98.7Very high95.7Very high26 Ų2663.9 Ų63.922%0.21536%0.36CS..EExtended strand (participates in β ladder)trans-54.5144.3171.600000110.6V185 E219 H220V185-A203 WeakPolarHBondContact O-CA 3.45Å; A203-E219 HydrophobicContact CB-CB 3.85Å; A203-E219 HydrophobicContact CB-CG 3.93Å; A203-H220 WeakPolarHBondContact CB-O 3.38Å; A203-H220 PolarHBondContact N-O 3.26Å
204T98.6Very high95.9Very high13 Ų1359.9 Ų59.98%0.0837%0.366CS..  trans-143.4153.5178.1-161.10000110.5Y75 Q78 I166 V185 V187Y75-T204 HydrophobicContact CD1-CG2 4.48Å; Y75-T204 WeakPolarHBondContact CD1-OG1 3.43Å; Y75-T204 HydrophobicContact CE1-CG2 4.15Å; Y75-T204 WeakPolarHBondContact CE1-OG1 3.48Å; Q78-T204 PolarHBondContact OE1-OG1 2.87Å; I166-T204 HydrophobicContact CG2-CG2 4.06Å; V185-T204 HydrophobicContact CG1-CG2 4.14Å; V185-T204 WeakPolarHBondContact CG1-O 3.28Å; V185-T204 PolarHBondContact O-N 3.46Å; V185-T204 VanDerWaalsContact O-N 3.12Å; V187-T204 HydrophobicContact CB-CG2 4Å; V187-T204 VanDerWaalsContact N-CG2 3.32Å
205D97.9Very high96.3Very high145 Ų14558 Ų5878%0.77534%0.34SS*.  trans-84.8119.6173.2-65.4-41.8000109.7Y75Y75-D205 WeakPolarHBondContact CE1-O 3.49Å; Y75-D205 PolarHBondContact OH-O 3.25Å
206F98Very high96.6Very high23 Ų2358 Ų5810%0.10133%0.333CS..  trans-128.998.7175-169-110.9000109.4Y75 L157 Q158 I166 V185 N208 M209Y75-F206 HydrophobicContact CE2-CD2 4.43Å; Y75-F206 WeakPolarHBondContact OH-CD2 3.48Å; L157-F206 HydrophobicContact CB-CD1 4.31Å; L157-F206 HydrophobicContact CB-CE1 3.72Å; L157-F206 HydrophobicContact CB-CZ 4.1Å; L157-F206 HydrophobicContact CD1-CD1 3.42Å; L157-F206 VanDerWaalsContact CD1-CD1 3.42Å; L157-F206 HydrophobicContact CD1-CE1 3.64Å; L157-F206 HydrophobicContact CD1-CG 4.26Å; L157-F206 HydrophobicContact CG-CE1 4.29Å; Q158-F206 HydrophobicContact CB-CE2 4.39Å; Q158-F206 HydrophobicContact CB-CZ 4.35Å; I166-F206 HydrophobicContact CD1-CD2 3.44Å; I166-F206 VanDerWaalsContact CD1-CD2 3.44Å; I166-F206 HydrophobicContact CD1-CE2 3.65Å; I166-F206 HydrophobicContact CD1-CG 4.36Å; I166-F206 HydrophobicContact CG2-CB 4.28Å; I166-F206 HydrophobicContact CG2-CD2 4.22Å; I166-F206 HydrophobicContact CG2-CG 4.15Å; V185-F206 HydrophobicContact CG1-CB 3.63Å; F206-N208 HydrophobicContact CD1-CB 3.99Å; F206-N208 HydrophobicContact CE1-CB 3.53Å; F206-N208 HydrophobicContact CZ-CB 3.97Å; F206-N208 PolarHBondContact O-N 2.85Å; F206-M209 HydrophobicContact CD1-CB 3.79Å; F206-M209 HydrophobicContact CE1-CB 4.49Å; F206-M209 CarbonylContact O-C 3.04Å; F206-M209 PolarHBondContact O-N 2.88Å
207G95.4Very high96.8Very high73 Ų7358.1 Ų58.175%0.75333%0.331SS*.THydrogen-bonded Turntrans-59-23.6-173.100000114.6M209G207-M209 PolarHBondContact O-N 3.48Å
208N95.8Very high96.8Very high138 Ų13858.1 Ų58.174%0.73833%0.331SS*.THydrogen-bonded Turntrans-79.4-3.1176.2-63.9-16.3000113.3F206F206-N208 HydrophobicContact CD1-CB 3.99Å; F206-N208 HydrophobicContact CE1-CB 3.53Å; F206-N208 HydrophobicContact CZ-CB 3.97Å; F206-N208 PolarHBondContact O-N 2.85Å
209M97.6Very high96.8Very high42 Ų4261.9 Ų61.921%0.20735%0.348CS..SBendtrans-13572.3172.8-169.957.272.100111.4L157 H168 V185 F206 G207 R217L157-M209 HydrophobicContact CD1-CB 3.73Å; L157-M209 HydrophobicContact CD1-CG 4.09Å; L157-M209 HydrophobicContact CD2-CE 3.77Å; H168-M209 HydrophobicContact CB-CG 4.44Å; V185-M209 HydrophobicContact CG2-CB 4.3Å; V185-M209 HydrophobicContact CG2-CG 3.93Å; F206-M209 HydrophobicContact CD1-CB 3.79Å; F206-M209 HydrophobicContact CE1-CB 4.49Å; F206-M209 CarbonylContact O-C 3.04Å; F206-M209 PolarHBondContact O-N 2.88Å; G207-M209 PolarHBondContact O-N 3.48Å; M209-R217 PolarHBondContact O-NH1 2.88Å
210P96.9Very high96.8Very high78 Ų7861.6 Ų61.651%0.50635%0.346SS..PPolyproline II helixtrans-67.6169.2176.730.6-35.7000112Q212 R217P210-Q212 PolarHBondContact O-NE2 3.27Å; P210-R217 PolarHBondContact O-NH2 2.86Å; P210-R217 VanDerWaalsContact O-NH2 3.1Å
211E96.1Very high96.8Very high123 Ų12362.4 Ų62.458%0.57536%0.355SS*.PPolyproline II helixtrans-60.1138.7175.7-53.9-169.416800111.4R217E211-R217 HydrophobicContact CG-CB 3.68Å; E211-R217 HydrophobicContact CG-CG 4.14Å; E211-R217 VanDerWaalsContact OE1-CB 3.24Å; E211-R217 WeakPolarHBondContact OE1-CB 3.12Å
212Q93.9Very high96.8Very high92 Ų9263.1 Ų63.143%0.4336%0.359SS..PPolyproline II helixtrans-100140.6-178-59.9-59.9-49.500110.6P210 G214 V215P210-Q212 PolarHBondContact O-NE2 3.27Å; Q212-G214 PolarHBondContact O-N 3.25Å; Q212-V215 PolarHBondContact O-N 2.87Å
213K94.1Very high96.8Very high216 Ų21662 Ų6294%0.93935%0.354SS*.THydrogen-bonded Turntrans-58.7129.1-179.2-174.3-179.7179.3-178.20110.7
214G91.6Very high96.7Very high67 Ų6760.8 Ų60.869%0.69134%0.344SS*.THydrogen-bonded Turntrans871177.200000114.8P181 Q212P181-G214 VanDerWaalsContact CG-O 3.32Å; P181-G214 WeakPolarHBondContact CG-O 3.29Å; Q212-G214 PolarHBondContact O-N 3.25Å
215V94.9Very high96.7Very high30 Ų3061.1 Ų61.118%0.18235%0.345CS..SBendtrans-123.2132.8175.1-176.20000109P181 D183 Q212P181-V215 HydrophobicContact CB-CG1 4.49Å; P181-V215 HydrophobicContact CB-CG2 4.41Å; D183-V215 HydrophobicContact CB-CG1 3.77Å; Q212-V215 PolarHBondContact O-N 2.87Å
216I95.6Very high96.8Very high69 Ų6955.3 Ų55.335%0.35432%0.315SS..EExtended strand (participates in β ladder)trans-86.8124.6178.7-62175.4000109.2P181 R182 D183 A218 K248P181-I216 PolarHBondContact O-N 3.06Å; R182-I216 WeakPolarHBondContact CA-O 3.24Å; R182-I216 HydrophobicContact CG-CB 4.11Å; D183-I216 PolarHBondContact N-O 2.87Å; D183-I216 VanDerWaalsContact N-O 3.13Å; I216-A218 PolarHBondContact O-N 2.87Å; I216-K248 HydrophobicContact CG2-CB 4.01Å
217R97.9Very high96.8Very high29 Ų2954.5 Ų54.511%0.10931%0.311CS..EExtended strand (participates in β ladder)trans-7395.7172.7-178.160.253.980.2-3.7110.9D183 M209 P210 E211 K248D183-R217 VanDerWaalsContact CG-NE 3.31Å; D183-R217 VanDerWaalsContact OD1-CA 3.31Å; D183-R217 WeakPolarHBondContact OD1-CA 3.49Å; D183-R217 IonicContact OD1-CZ 3.84Å; D183-R217 IonicContact OD1-NE 3.73Å; D183-R217 PolarHBondContact OD1-NE 3.3Å; D183-R217 IonicContact OD1-NH2 2.63Å; D183-R217 IonicContact OD2-CZ 3.03Å; D183-R217 IonicContact OD2-NE 2.83Å; D183-R217 PolarHBondContact OD2-NE 2.96Å; D183-R217 IonicContact OD2-NH2 2.94Å; D183-R217 PolarHBondContact OD2-NH2 3.32Å; M209-R217 PolarHBondContact O-NH1 2.88Å; P210-R217 PolarHBondContact O-NH2 2.86Å; P210-R217 VanDerWaalsContact O-NH2 3.1Å; E211-R217 HydrophobicContact CG-CB 3.68Å; E211-R217 HydrophobicContact CG-CG 4.14Å; E211-R217 VanDerWaalsContact OE1-CB 3.24Å; E211-R217 WeakPolarHBondContact OE1-CB 3.12Å; R217-K248 VanDerWaalsContact O-CD 3.27Å; R217-K248 WeakPolarHBondContact O-CD 3.44Å; R217-K248 WeakPolarHBondContact O-CE 3.36Å; R217-K248 PolarHBondContact O-NZ 3.36Å
218A97.4Very high96.9Very high1 Ų155 Ų551%0.00829%0.294CS..  trans-78.9159.7172.300000110.3R182 D183 F184 I216 D246R182-A218 HydrophobicContact CB-CB 4.13Å; R182-A218 HydrophobicContact CG-CB 4.13Å; D183-A218 PolarHBondContact O-N 3.48Å; F184-A218 HydrophobicContact CD1-CB 3.85Å; F184-A218 WeakPolarHBondContact CD1-O 3.23Å; F184-A218 HydrophobicContact CE1-CB 3.25Å; F184-A218 HydrophobicContact CE2-CB 4.43Å; F184-A218 HydrophobicContact CZ-CB 3.59Å; I216-A218 PolarHBondContact O-N 2.87Å; A218-D246 WeakPolarHBondContact CA-O 3.29Å; A218-D246 WeakPolarHBondContact CB-O 3.26Å
219E98.3Very high96.9Very high87 Ų8749.9 Ų49.941%0.40727%0.269SS..EExtended strand (participates in β ladder)trans-122.5128.8-174.2-73.9177.1-164.400111.3A203 I245 D246 K248A203-E219 HydrophobicContact CB-CB 3.85Å; A203-E219 HydrophobicContact CB-CG 3.93Å; E219-I245 CarbonylContact O-C 3.5Å; E219-I245 WeakPolarHBondContact O-CA 3.42Å; E219-D246 PolarHBondContact N-O 2.88Å; E219-D246 PolarHBondContact O-N 2.89Å; E219-K248 VanDerWaalsContact CD-CE 3.48Å; E219-K248 WeakPolarHBondContact OE1-CE 3.49Å; E219-K248 IonicContact OE1-NZ 2.68Å; E219-K248 PolarHBondContact OE1-NZ 3.45Å
220H98.3Very high96.8Very high13 Ų1350.7 Ų50.76%0.0627%0.273CS..EExtended strand (participates in β ladder)trans-76.1125.1164.5-80.2-66.3000110.2F184 S186 R188 A203 S244 I245F184-H220 AromaticContact CD1-CD2 3.58Å; F184-H220 AromaticContact CD1-NE2 3.73Å; F184-H220 AromaticContact CG-CD2 3.93Å; F184-H220 AromaticContact CG-NE2 3.88Å; S186-H220 PolarHBondContact OG-CD2 3.41Å; R188-H220 PolarHBondContact NH2-NE2 3.01Å; A203-H220 WeakPolarHBondContact CB-O 3.38Å; A203-H220 PolarHBondContact N-O 3.26Å; H220-S244 WeakPolarHBondContact CA-O 3.37Å; H220-I245 WeakPolarHBondContact ND1-CG1 3.47Å
221G98.3Very high96.5Very high19 Ų1951.5 Ų51.520%0.19629%0.287CS..  trans-74.5-170.4156.300000110.9T223 S244G221-T223 PolarHBondContact O-N 3.31Å; G221-T223 PolarHBondContact O-OG1 3.08Å; G221-T223 VanDerWaalsContact O-OG1 3.05Å; G221-S244 WeakPolarHBondContact CA-OG 3.39Å; G221-S244 PolarHBondContact N-O 2.98Å
222P98.2Very high96.2Very high14 Ų1449.9 Ų49.99%0.09130%0.303CS..SBendtrans-56.7109.2176.4-24.134.4000111.7K85 A86 V116 S244K85-P222 HydrophobicContact CB-CB 3.89Å; K85-P222 HydrophobicContact CB-CG 3.99Å; K85-P222 HydrophobicContact CD-CG 4.15Å; A86-P222 HydrophobicContact CB-CB 4.29Å; V116-P222 HydrophobicContact CG2-CG 4.48Å; P222-S244 WeakPolarHBondContact O-CB 3.32Å
223T98.3Very high96.2Very high4 Ų446.8 Ų46.83%0.02529%0.291CS..EExtended strand (participates in β ladder)trans-123140.9-175-66.90000108.6A200 G201 G221 L242 L243 S244A200-T223 CarbonylContact C-O 3.43Å; A200-T223 VanDerWaalsContact CA-O 3.28Å; A200-T223 WeakPolarHBondContact CA-O 3.21Å; G201-T223 PolarHBondContact N-O 3.3Å; G201-T223 PolarHBondContact O-N 3.39Å; G221-T223 PolarHBondContact O-N 3.31Å; G221-T223 PolarHBondContact O-OG1 3.08Å; G221-T223 VanDerWaalsContact O-OG1 3.05Å; T223-L242 WeakPolarHBondContact CA-O 3.31Å; T223-L242 WeakPolarHBondContact CG2-O 3.31Å; T223-L243 HydrophobicContact CG2-CD1 4.01Å; T223-S244 PolarHBondContact OG1-N 3.33Å; T223-S244 PolarHBondContact OG1-O 2.88Å
224C98.4Very high96Very high1 Ų141.6 Ų41.61%0.00728%0.28CS..EExtended strand (participates in β ladder)trans-151150.317173.40000113.9A86 L90 V198 L199 A200 W241 L242A86-C224 HydrophobicContact CB-CB 3.71Å; A86-C224 VanDerWaalsContact CB-SG 3.6Å; L90-C224 VanDerWaalsContact CD1-SG 3.51Å; V198-C224 HydrophobicContact CG1-CB 4.29Å; L199-C224 CarbonylContact O-C 3.57Å; L199-C224 WeakPolarHBondContact O-CA 3.37Å; L199-C224 WeakPolarHBondContact O-CB 3.4Å; A200-C224 HydrophobicContact CB-CB 4.04Å; C224-W241 CarbonylContact O-C 3.59Å; C224-W241 WeakPolarHBondContact O-CA 3.33Å; C224-L242 PolarHBondContact N-O 3.43Å; C224-L242 PolarHBondContact O-N 2.72Å
225M98.7Very high96.1Very high19 Ų1941.7 Ų41.79%0.09427%0.27CS..EExtended strand (participates in β ladder)trans-112.4123.7166.6-69.4-178.416700108.9L137 V198 L199 L239 T240 W241 F267L137-M225 HydrophobicContact CD1-SD 4.34Å; V198-M225 CarbonylContact C-O 3.57Å; V198-M225 VanDerWaalsContact CA-O 3.31Å; V198-M225 WeakPolarHBondContact CA-O 3.37Å; L199-M225 HydrophobicContact CB-CB 4.44Å; L199-M225 PolarHBondContact N-O 2.77Å; L199-M225 PolarHBondContact O-N 2.98Å; M225-L239 HydrophobicContact CB-CD1 4.11Å; M225-L239 HydrophobicContact CG-CD1 4.4Å; M225-T240 CarbonylContact C-O 3.59Å; M225-T240 WeakPolarHBondContact CA-O 3.47Å; M225-W241 HydrophobicContact CE-CB 4.37Å; M225-W241 HydrophobicContact CE-CD2 3.46Å; M225-W241 VanDerWaalsContact CE-CD2 3.46Å; M225-W241 HydrophobicContact CE-CE3 3.91Å; M225-W241 HydrophobicContact CE-CG 3.67Å; M225-W241 HydrophobicContact CE-CH2 4.47Å; M225-W241 HydrophobicContact CE-CZ2 4.08Å; M225-W241 HydrophobicContact CE-CZ3 4.37Å; M225-W241 HydrophobicContact CG-CB 3.96Å; M225-W241 VanDerWaalsContact CG-CD1 3.47Å; M225-W241 HydrophobicContact CG-CG 3.73Å; M225-F267 HydrophobicContact CE-CE1 3.85Å; M225-F267 HydrophobicContact CE-CE2 3.91Å; M225-F267 HydrophobicContact CE-CZ 3.46Å; M225-F267 VanDerWaalsContact CE-CZ 3.46Å; M225-F267 HydrophobicContact SD-CZ 4.28Å
226V98.5Very high96.2Very high23 Ų2343.7 Ų43.714%0.13928%0.276CS..EExtended strand (participates in β ladder)trans-108.4121.3176.5-176.80000108.2L87 L90 T196 V198 L239 T240L87-V226 HydrophobicContact CD2-CG2 3.9Å; L90-V226 HydrophobicContact CD1-CG2 3.86Å; T196-V226 HydrophobicContact CG2-CG1 3.56Å; V198-V226 HydrophobicContact CG1-CG2 4.33Å; V198-V226 HydrophobicContact CG2-CG1 4.38Å; V198-V226 HydrophobicContact CG2-CG2 4.3Å; V226-L239 WeakPolarHBondContact O-CA 3.43Å; V226-T240 PolarHBondContact N-O 2.77Å; V226-T240 PolarHBondContact O-N 3.41Å
227L98.4Very high96.3Very high6 Ų640.4 Ų40.43%0.03126%0.259CS..EExtended strand (participates in β ladder)trans-103.9119.2173-52.6178.4000108.5M130 L133 Y134 L137 T196 C197 T237 L239M130-L227 HydrophobicContact CG-CB 3.71Å; M130-L227 HydrophobicContact CG-CD1 4.4Å; M130-L227 HydrophobicContact SD-CB 4Å; M130-L227 VanDerWaalsContact SD-O 3.35Å; L133-L227 HydrophobicContact CB-CD1 4Å; L133-L227 HydrophobicContact CB-CD2 4.13Å; L133-L227 HydrophobicContact CD2-CD2 3.96Å; Y134-L227 HydrophobicContact CD2-CD1 4.44Å; L137-L227 HydrophobicContact CD1-CD2 4.09Å; T196-L227 WeakPolarHBondContact CA-O 3.47Å; T196-L227 VanDerWaalsContact CG2-O 3.24Å; T196-L227 WeakPolarHBondContact CG2-O 3.46Å; C197-L227 HydrophobicContact CB-CB 4.19Å; C197-L227 HydrophobicContact CB-CD1 4.26Å; C197-L227 PolarHBondContact N-O 3.41Å; C197-L227 PolarHBondContact O-N 2.79Å; L227-T237 HydrophobicContact CB-CG2 4.19Å; L227-T237 HydrophobicContact CD2-CG2 4.48Å; L227-L239 HydrophobicContact CD2-CB 4.23Å; L227-L239 HydrophobicContact CD2-CD1 3.43Å; L227-L239 VanDerWaalsContact CD2-CD1 3.43Å; L227-L239 HydrophobicContact CD2-CG 4.37Å
228H97.1Very high96.3Very high83 Ų8342.6 Ų42.638%0.38427%0.27SS..EExtended strand (participates in β ladder)trans-131.5126.8-179.5-168.979.8000110T196 L230 K238T196-H228 PolarHBondContact OG1-ND1 3.24Å; H228-L230 PolarHBondContact O-N 3.12Å; H228-K238 PolarHBondContact N-O 3.39Å; H228-K238 PolarHBondContact O-N 3.2Å
229P96.7Very high96.4Very high32 Ų3242.6 Ų42.621%0.20827%0.269CS..EExtended strand (participates in β ladder)trans-56.5136.4173.5-24.234.6000110.6M130 S195 A231M130-P229 HydrophobicContact CB-CG 4.43Å; M130-P229 HydrophobicContact CE-CG 4.5Å; M130-P229 HydrophobicContact SD-CG 4.11Å; S195-P229 WeakPolarHBondContact O-CD 3.4Å; P229-A231 PolarHBondContact O-N 3.33Å
230L94.8Very high96.4Very high58 Ų5839.3 Ų39.330%0.30426%0.255SS..EExtended strand (participates in β ladder)trans-68.7133.5-179.6-167.571.3000110V125 H228 G232 S233 K236 K238V125-L230 HydrophobicContact CG1-CD1 4.48Å; V125-L230 HydrophobicContact CG1-CD2 4.02Å; V125-L230 HydrophobicContact CG2-CD1 4.18Å; H228-L230 PolarHBondContact O-N 3.12Å; L230-G232 PolarHBondContact O-N 2.88Å; L230-S233 CarbonylContact O-C 3.57Å; L230-S233 PolarHBondContact O-N 3.4Å; L230-K236 HydrophobicContact CB-CB 3.87Å; L230-K236 HydrophobicContact CD2-CB 4.01Å; L230-K236 HydrophobicContact CD2-CD 3.91Å; L230-K236 PolarHBondContact N-O 2.93Å; L230-K238 HydrophobicContact CD1-CB 4.46Å
231A90.3Very high96.4Very high96 Ų9639.9 Ų39.979%0.79326%0.257SS*.THydrogen-bonded Turntrans-56.8125.7177.600000110.5P229 S233P229-A231 PolarHBondContact O-N 3.33Å; A231-S233 VanDerWaalsContact C-N 3.26Å; A231-S233 PolarHBondContact O-N 3.11Å
232G90.6Very high96.4Very high88 Ų8839 Ų3991%0.90725%0.248SC*.THydrogen-bonded Turntrans77.6-0-177.400000115.5L230L230-G232 PolarHBondContact O-N 2.88Å
233S92.8Very high96.4Very high27 Ų2738.4 Ų38.419%0.18924%0.244CC..EExtended strand (participates in β ladder)trans-147.285.3178.7-163.30000112.1L230 A231 S235 K236L230-S233 CarbonylContact O-C 3.57Å; L230-S233 PolarHBondContact O-N 3.4Å; A231-S233 VanDerWaalsContact C-N 3.26Å; A231-S233 PolarHBondContact O-N 3.11Å; S233-S235 PolarHBondContact O-N 3.32Å; S233-S235 VanDerWaalsContact O-N 3.16Å; S233-S235 PolarHBondContact OG-OG 3.17Å; S233-K236 PolarHBondContact O-N 3.43Å; S233-K236 WeakPolarHBondContact OG-CG 3.29Å
234P89.9Confident96.4Very high107 Ų10738.5 Ų38.570%0.69525%0.245SC*.EExtended strand (participates in β ladder)trans-63.4-18.6179.6-22.433.8000114.5K236P234-K236 PolarHBondContact O-N 3.12Å
235S94.6Very high96.3Very high70 Ų7039.9 Ų39.949%0.4925%0.252SS..EExtended strand (participates in β ladder)trans-77.1-3.9173.353.80000113.4D127 Q128 S233D127-S235 CarbonylContact C-O 3.55Å; Q128-S235 CarbonylContact C-O 3.39Å; Q128-S235 VanDerWaalsContact CA-O 3.28Å; Q128-S235 WeakPolarHBondContact CA-O 3.33Å; Q128-S235 PolarHBondContact N-O 3.18Å; Q128-S235 VanDerWaalsContact N-O 3.12Å; S233-S235 PolarHBondContact O-N 3.32Å; S233-S235 VanDerWaalsContact O-N 3.16Å; S233-S235 PolarHBondContact OG-OG 3.17Å
236K97Very high96.2Very high71 Ų7143.3 Ų43.331%0.30927%0.27SS..EExtended strand (participates in β ladder)trans-121.3147.3178.5-57-173.7178.1-135.80110.4V125 V126 D127 L230 S233 P234V125-K236 HydrophobicContact CG1-CB 4.32Å; V126-K236 CarbonylContact O-C 3.56Å; V126-K236 WeakPolarHBondContact O-CA 3.48Å; D127-K236 WeakPolarHBondContact OD1-CD 3.46Å; D127-K236 WeakPolarHBondContact OD1-CE 3.45Å; D127-K236 WeakPolarHBondContact OD1-CG 3.41Å; D127-K236 IonicContact OD1-NZ 2.83Å; D127-K236 PolarHBondContact OD1-NZ 2.84Å; D127-K236 IonicContact OD2-NZ 3.63Å; L230-K236 HydrophobicContact CB-CB 3.87Å; L230-K236 HydrophobicContact CD2-CB 4.01Å; L230-K236 HydrophobicContact CD2-CD 3.91Å; L230-K236 PolarHBondContact N-O 2.93Å; S233-K236 PolarHBondContact O-N 3.43Å; S233-K236 WeakPolarHBondContact OG-CG 3.29Å; P234-K236 PolarHBondContact O-N 3.12Å
237T98.3Very high96Very high0 Ų042.8 Ų42.80%027%0.267CS..EExtended strand (participates in β ladder)trans-124.9127.6-179.5-55.40000110.2V125 V126 Q128 M130 L133 L227V125-T237 WeakPolarHBondContact CA-O 3.4Å; V126-T237 PolarHBondContact N-O 3.29Å; V126-T237 PolarHBondContact O-N 3.09Å; Q128-T237 PolarHBondContact O-N 3.38Å; Q128-T237 PolarHBondContact O-OG1 2.87Å; M130-T237 WeakPolarHBondContact CA-OG1 3.33Å; M130-T237 HydrophobicContact CB-CG2 4.13Å; M130-T237 HydrophobicContact CG-CG2 4.13Å; M130-T237 PolarHBondContact N-OG1 3.35Å; L133-T237 HydrophobicContact CD2-CG2 3.96Å; L227-T237 HydrophobicContact CB-CG2 4.19Å; L227-T237 HydrophobicContact CD2-CG2 4.48Å
238K98.1Very high95.7Very high76 Ų7645.4 Ų45.433%0.3328%0.278SS..EExtended strand (participates in β ladder)trans-80.2115.3163.3-175.9177.5179.6-179.80108.2E123 V124 H228 L230E123-K238 IonicContact OE1-NZ 3.83Å; E123-K238 PolarHBondContact OE1-NZ 2.97Å; V124-K238 WeakPolarHBondContact O-CA 3.11Å; H228-K238 PolarHBondContact N-O 3.39Å; H228-K238 PolarHBondContact O-N 3.2Å; L230-K238 HydrophobicContact CD1-CB 4.46Å
239L98.6Very high95.3Very high0 Ų043.9 Ų43.90%028%0.284CS..EExtended strand (participates in β ladder)trans-98.1128.1169.1166.171.8000108.7V124 L133 M225 V226 L227 F267 L271V124-L239 HydrophobicContact CG2-CB 3.72Å; V124-L239 HydrophobicContact CG2-CD2 3.84Å; V124-L239 HydrophobicContact CG2-CG 4.07Å; V124-L239 PolarHBondContact N-O 3.46Å; V124-L239 PolarHBondContact O-N 3.16Å; L133-L239 HydrophobicContact CD2-CB 4.49Å; M225-L239 HydrophobicContact CB-CD1 4.11Å; M225-L239 HydrophobicContact CG-CD1 4.4Å; V226-L239 WeakPolarHBondContact O-CA 3.43Å; L227-L239 HydrophobicContact CD2-CB 4.23Å; L227-L239 HydrophobicContact CD2-CD1 3.43Å; L227-L239 VanDerWaalsContact CD2-CD1 3.43Å; L227-L239 HydrophobicContact CD2-CG 4.37Å; L239-F267 HydrophobicContact CD2-CE1 3.79Å; L239-L271 HydrophobicContact CD2-CD2 3.89Å
240T98.6Very high94.9Very high18 Ų1854.8 Ų54.811%0.1132%0.322CS..EExtended strand (participates in β ladder)trans-120.1119.3170-60.50000109.4L90 R121 L122 E123 M225 V226L90-T240 HydrophobicContact CD1-CG2 4.12Å; L90-T240 HydrophobicContact CD2-CG2 3.93Å; R121-T240 HydrophobicContact CG-CG2 3.98Å; L122-T240 CarbonylContact O-C 3.48Å; L122-T240 VanDerWaalsContact O-CA 3.31Å; L122-T240 WeakPolarHBondContact O-CA 3.46Å; E123-T240 HydrophobicContact CG-CG2 4.38Å; M225-T240 CarbonylContact C-O 3.59Å; M225-T240 WeakPolarHBondContact CA-O 3.47Å; V226-T240 PolarHBondContact N-O 2.77Å; V226-T240 PolarHBondContact O-N 3.41Å
241W98.8Very high94.6Very high25 Ų2553.7 Ų53.710%0.09532%0.316CS..EExtended strand (participates in β ladder)trans-117.4108.2-179.5176.128.2000110.9R121 L122 C224 M225 L243 T263 Q264 F267R121-W241 CarbonylContact C-O 3.46Å; R121-W241 WeakPolarHBondContact CA-O 3.32Å; L122-W241 HydrophobicContact CB-CB 4.17Å; L122-W241 HydrophobicContact CD2-CB 4.44Å; L122-W241 HydrophobicContact CD2-CE3 3.92Å; L122-W241 PolarHBondContact N-O 3.2Å; L122-W241 PolarHBondContact O-N 2.83Å; C224-W241 CarbonylContact O-C 3.59Å; C224-W241 WeakPolarHBondContact O-CA 3.33Å; M225-W241 HydrophobicContact CE-CB 4.37Å; M225-W241 HydrophobicContact CE-CD2 3.46Å; M225-W241 VanDerWaalsContact CE-CD2 3.46Å; M225-W241 HydrophobicContact CE-CE3 3.91Å; M225-W241 HydrophobicContact CE-CG 3.67Å; M225-W241 HydrophobicContact CE-CH2 4.47Å; M225-W241 HydrophobicContact CE-CZ2 4.08Å; M225-W241 HydrophobicContact CE-CZ3 4.37Å; M225-W241 HydrophobicContact CG-CB 3.96Å; M225-W241 VanDerWaalsContact CG-CD1 3.47Å; M225-W241 HydrophobicContact CG-CG 3.73Å; W241-L243 HydrophobicContact CH2-CD2 4.1Å; W241-L243 HydrophobicContact CZ2-CB 4.4Å; W241-L243 HydrophobicContact CZ2-CD1 3.52Å; W241-L243 HydrophobicContact CZ2-CD2 3.84Å; W241-L243 HydrophobicContact CZ2-CG 4.12Å; W241-T263 HydrophobicContact CH2-CG2 4.48Å; W241-Q264 HydrophobicContact CD2-CG 4.49Å; W241-Q264 HydrophobicContact CE3-CB 4.32Å; W241-Q264 HydrophobicContact CE3-CG 3.84Å; W241-Q264 HydrophobicContact CH2-CG 4.33Å; W241-Q264 HydrophobicContact CZ3-CB 4.21Å; W241-Q264 HydrophobicContact CZ3-CG 3.75Å; W241-Q264 PolarHBondContact O-NE2 3.38Å; W241-F267 HydrophobicContact CE3-CB 4.5Å; W241-F267 AromaticContact CE3-CD1 3.81Å; W241-F267 HydrophobicContact CE3-CD1 3.81Å; W241-F267 HydrophobicContact CE3-CE1 4.29Å; W241-F267 HydrophobicContact CE3-CG 4.15Å; W241-F267 HydrophobicContact CH2-CB 4.47Å; W241-F267 HydrophobicContact CH2-CG 4.41Å; W241-F267 HydrophobicContact CZ3-CB 3.69Å; W241-F267 AromaticContact CZ3-CD1 3.78Å; W241-F267 HydrophobicContact CZ3-CD1 3.78Å; W241-F267 HydrophobicContact CZ3-CD2 4.27Å; W241-F267 AromaticContact CZ3-CG 3.63Å; W241-F267 HydrophobicContact CZ3-CG 3.63Å
242L98.7Very high94.7Very high0 Ų052.4 Ų52.40%030%0.299CS..EExtended strand (participates in β ladder)trans-84.7121.8167.6-177.972.6000109.3A86 I89 L90 W96 V119 F120 T223 C224A86-L242 HydrophobicContact CB-CD2 3.87Å; A86-L242 WeakPolarHBondContact O-CD2 3.34Å; I89-L242 HydrophobicContact CB-CD2 3.86Å; I89-L242 HydrophobicContact CD1-CD2 4.04Å; I89-L242 HydrophobicContact CG2-CD1 3.82Å; I89-L242 HydrophobicContact CG2-CD2 3.85Å; L90-L242 HydrophobicContact CD1-CB 4.37Å; L90-L242 HydrophobicContact CD2-CB 4.02Å; L90-L242 HydrophobicContact CD2-CD1 4.26Å; L90-L242 HydrophobicContact CG-CB 4.18Å; L90-L242 HydrophobicContact CG-CD2 4.41Å; W96-L242 HydrophobicContact CH2-CD1 3.67Å; V119-L242 HydrophobicContact CB-CD1 4.06Å; V119-L242 HydrophobicContact CG2-CD1 3.93Å; F120-L242 CarbonylContact O-C 3.59Å; F120-L242 WeakPolarHBondContact O-CA 3.46Å; T223-L242 WeakPolarHBondContact CA-O 3.31Å; T223-L242 WeakPolarHBondContact CG2-O 3.31Å; C224-L242 PolarHBondContact N-O 3.43Å; C224-L242 PolarHBondContact O-N 2.72Å
243L98.3Very high94.7Very high2 Ų256.5 Ų56.51%0.0129%0.292CS..EExtended strand (participates in β ladder)trans-117.2124.9178.7-170.260.5000110.7V119 F120 T223 W241 I245 L260 Q264V119-L243 WeakPolarHBondContact CA-O 3.35Å; F120-L243 PolarHBondContact N-O 2.88Å; F120-L243 PolarHBondContact O-N 3.16Å; T223-L243 HydrophobicContact CG2-CD1 4.01Å; W241-L243 HydrophobicContact CH2-CD2 4.1Å; W241-L243 HydrophobicContact CZ2-CB 4.4Å; W241-L243 HydrophobicContact CZ2-CD1 3.52Å; W241-L243 HydrophobicContact CZ2-CD2 3.84Å; W241-L243 HydrophobicContact CZ2-CG 4.12Å; L243-I245 HydrophobicContact CD1-CD1 3.57Å; L243-I245 HydrophobicContact CD1-CG1 3.8Å; L243-I245 HydrophobicContact CD2-CD1 3.96Å; L243-I245 HydrophobicContact CG-CD1 3.84Å; L243-I245 HydrophobicContact CG-CG1 4.04Å; L243-L260 HydrophobicContact CD2-CD2 4.36Å; L243-Q264 HydrophobicContact CD2-CG 4.09Å
244S98.1Very high94.5Very high6 Ų659.2 Ų59.24%0.04231%0.311CS..  trans-128.8116.7171.4179.10000107.9V116 H220 G221 P222 T223V116-S244 VanDerWaalsContact CG1-OG 3.26Å; V116-S244 WeakPolarHBondContact CG1-OG 3.39Å; H220-S244 WeakPolarHBondContact CA-O 3.37Å; G221-S244 WeakPolarHBondContact CA-OG 3.39Å; G221-S244 PolarHBondContact N-O 2.98Å; P222-S244 WeakPolarHBondContact O-CB 3.32Å; T223-S244 PolarHBondContact OG1-N 3.33Å; T223-S244 PolarHBondContact OG1-O 2.88Å
245I96.6Very high94.5Very high31 Ų3156.7 Ų56.716%0.15929%0.291CS..EExtended strand (participates in β ladder)trans-138.2133-177.8-66.2175.7000109.4F184 E219 H220 L243 L247 L260F184-I245 HydrophobicContact CE1-CG2 3.93Å; F184-I245 HydrophobicContact CZ-CD1 4.45Å; F184-I245 HydrophobicContact CZ-CG2 4.28Å; E219-I245 CarbonylContact O-C 3.5Å; E219-I245 WeakPolarHBondContact O-CA 3.42Å; H220-I245 WeakPolarHBondContact ND1-CG1 3.47Å; L243-I245 HydrophobicContact CD1-CD1 3.57Å; L243-I245 HydrophobicContact CD1-CG1 3.8Å; L243-I245 HydrophobicContact CD2-CD1 3.96Å; L243-I245 HydrophobicContact CG-CD1 3.84Å; L243-I245 HydrophobicContact CG-CG1 4.04Å; I245-L247 HydrophobicContact CG2-CD2 3.62Å; I245-L247 HydrophobicContact CG2-CG 3.86Å; I245-L260 HydrophobicContact CB-CD2 4.31Å; I245-L260 HydrophobicContact CD1-CD2 3.96Å
246D95.5Very high94.4Very high90 Ų9055 Ų5548%0.48128%0.276SS..EExtended strand (participates in β ladder)trans-98.4107.1154.8-173.6-1.8000109A218 E219 K248A218-D246 WeakPolarHBondContact CA-O 3.29Å; A218-D246 WeakPolarHBondContact CB-O 3.26Å; E219-D246 PolarHBondContact N-O 2.88Å; E219-D246 PolarHBondContact O-N 2.89Å; D246-K248 PolarHBondContact O-N 2.88Å; D246-K248 WeakPolarHBondContact OD1-CA 3.44Å; D246-K248 PolarHBondContact OD1-N 3.36Å
247L93.6Very high94.2Very high13 Ų1353.6 Ų53.67%0.06827%0.272CS..  trans-70.6-12.6178.3-70.8177.4000112.5R182 F184 I245 L251 I256 L260R182-L247 PolarHBondContact NE-O 2.89Å; R182-L247 PolarHBondContact NH2-O 3.24Å; F184-L247 HydrophobicContact CZ-CD2 4.47Å; I245-L247 HydrophobicContact CG2-CD2 3.62Å; I245-L247 HydrophobicContact CG2-CG 3.86Å; L247-L251 HydrophobicContact CD1-CD1 4.36Å; L247-I256 HydrophobicContact CD1-CG1 4.35Å; L247-I256 HydrophobicContact CD1-CG2 4.08Å; L247-L260 HydrophobicContact CD1-CD2 4.44Å
248K92Very high93.9Very high61 Ų6160.5 Ų60.527%0.26531%0.305SS..  trans51.6176.8-170.4-59.9-167.6-173164.50113.6R182 I216 R217 E219 D246R182-K248 PolarHBondContact NH2-O 2.93Å; I216-K248 HydrophobicContact CG2-CB 4.01Å; R217-K248 VanDerWaalsContact O-CD 3.27Å; R217-K248 WeakPolarHBondContact O-CD 3.44Å; R217-K248 WeakPolarHBondContact O-CE 3.36Å; R217-K248 PolarHBondContact O-NZ 3.36Å; E219-K248 VanDerWaalsContact CD-CE 3.48Å; E219-K248 WeakPolarHBondContact OE1-CE 3.49Å; E219-K248 IonicContact OE1-NZ 2.68Å; E219-K248 PolarHBondContact OE1-NZ 3.45Å; D246-K248 PolarHBondContact O-N 2.88Å; D246-K248 WeakPolarHBondContact OD1-CA 3.44Å; D246-K248 PolarHBondContact OD1-N 3.36Å
249G88.8Confident93.6Very high50 Ų5057.8 Ų57.852%0.51529%0.294SS..SBendtrans78.7-168.9179.400000113.7L251G249-L251 PolarHBondContact O-N 3.12Å
250W88.8Confident93.3Very high262 Ų26258.1 Ų58.199%0.99230%0.296SS*.SBendtrans-100.466.8-170.7-73.364.2000111.3
251L89.1Confident93.2Very high34 Ų3457.6 Ų57.618%0.17829%0.293CS..  trans-108.2133.7177.7-68.2175.8000111.6V179 R182 L247 G249 K253 I256V179-L251 HydrophobicContact CG1-CD1 4.18Å; V179-L251 HydrophobicContact CG2-CD1 4.19Å; V179-L251 HydrophobicContact CG2-CD2 4.48Å; R182-L251 VanDerWaalsContact NH2-CD1 3.27Å; L247-L251 HydrophobicContact CD1-CD1 4.36Å; G249-L251 PolarHBondContact O-N 3.12Å; L251-K253 PolarHBondContact O-N 3.49Å; L251-I256 HydrophobicContact CB-CD1 3.92Å; L251-I256 HydrophobicContact CB-CG1 3.76Å; L251-I256 HydrophobicContact CD1-CG1 4.31Å
252P91.2Very high93Very high69 Ų6960.7 Ų60.745%0.44831%0.309SS..  trans-57.9136.4169.9-24.433.2000112.1S254 I255 I256P252-S254 PolarHBondContact O-N 3.48Å; P252-S254 VanDerWaalsContact O-N 3.15Å; P252-I255 HydrophobicContact CB-CD1 4.27Å; P252-I255 HydrophobicContact CB-CG1 4.22Å; P252-I255 HydrophobicContact CG-CD1 3.92Å; P252-I255 HydrophobicContact CG-CG1 4.42Å; P252-I255 PolarHBondContact O-N 3.37Å; P252-I256 PolarHBondContact O-N 3.38Å; P252-I256 VanDerWaalsContact O-N 3.12Å
253K90.6Very high92.8Very high174 Ų17462.3 Ų62.376%0.75732%0.319SS*.Hα-helixtrans-56.5-33.5-179.5-68.7-176.9179.5178.80113.5L251 I256 N257L251-K253 PolarHBondContact O-N 3.49Å; K253-I256 PolarHBondContact O-N 2.94Å; K253-N257 WeakPolarHBondContact O-CB 3.01Å; K253-N257 PolarHBondContact O-N 3.44Å; K253-N257 PolarHBondContact O-ND2 2.91Å; K253-N257 PolarHBondContact O-OD1 2.76Å
254S89.9Confident92.8Very high85 Ų8562.2 Ų62.259%0.59432%0.318SS*.Hα-helixtrans-61.6-44.9176.348.20000111.8P252 N257 Q258P252-S254 PolarHBondContact O-N 3.48Å; P252-S254 VanDerWaalsContact O-N 3.15Å; S254-N257 PolarHBondContact O-N 2.76Å; S254-Q258 PolarHBondContact O-N 2.9Å
255I89.9Confident92.7Very high53 Ų5362.1 Ų62.127%0.27232%0.318SS..Hα-helixtrans-65.2-47.2178.1-61.8-178000109.9P252 N257 Q258 V259P252-I255 HydrophobicContact CB-CD1 4.27Å; P252-I255 HydrophobicContact CB-CG1 4.22Å; P252-I255 HydrophobicContact CG-CD1 3.92Å; P252-I255 HydrophobicContact CG-CG1 4.42Å; P252-I255 PolarHBondContact O-N 3.37Å; I255-N257 VanDerWaalsContact C-N 3.29Å; I255-N257 PolarHBondContact O-N 2.87Å; I255-Q258 PolarHBondContact O-N 2.83Å; I255-V259 HydrophobicContact CG2-CG2 4.2Å; I255-V259 WeakPolarHBondContact O-CB 3.43Å; I255-V259 VanDerWaalsContact O-CG2 3.29Å; I255-V259 WeakPolarHBondContact O-CG2 3.35Å; I255-V259 PolarHBondContact O-N 3.25Å
256I91.8Very high92.7Very high35 Ų3562.6 Ų62.618%0.17932%0.32CS..Hα-helixtrans-54.5-49176.7-63.2173000110.3L247 L251 P252 K253 Q258 V259 L260L247-I256 HydrophobicContact CD1-CG1 4.35Å; L247-I256 HydrophobicContact CD1-CG2 4.08Å; L251-I256 HydrophobicContact CB-CD1 3.92Å; L251-I256 HydrophobicContact CB-CG1 3.76Å; L251-I256 HydrophobicContact CD1-CG1 4.31Å; P252-I256 PolarHBondContact O-N 3.38Å; P252-I256 VanDerWaalsContact O-N 3.12Å; K253-I256 PolarHBondContact O-N 2.94Å; I256-Q258 PolarHBondContact O-N 3.21Å; I256-V259 PolarHBondContact O-N 3.42Å; I256-L260 HydrophobicContact CG2-CD1 3.74Å; I256-L260 HydrophobicContact CG2-CG 4.22Å; I256-L260 WeakPolarHBondContact O-CB 3.15Å; I256-L260 VanDerWaalsContact O-CG 3.31Å; I256-L260 WeakPolarHBondContact O-CG 3.47Å; I256-L260 PolarHBondContact O-N 2.76Å
257N92.7Very high92.8Very high42 Ų4258.5 Ų58.523%0.22530%0.298CS..Hα-helixtrans-63.4-43-177.2-67.9-18.4000112.6K118 F120 K253 S254 I255 S261K118-N257 WeakPolarHBondContact CD-OD1 3.12Å; K118-N257 PolarHBondContact NZ-ND2 3.04Å; F120-N257 HydrophobicContact CZ-CB 3.99Å; K253-N257 WeakPolarHBondContact O-CB 3.01Å; K253-N257 PolarHBondContact O-N 3.44Å; K253-N257 PolarHBondContact O-ND2 2.91Å; K253-N257 PolarHBondContact O-OD1 2.76Å; S254-N257 PolarHBondContact O-N 2.76Å; I255-N257 VanDerWaalsContact C-N 3.29Å; I255-N257 PolarHBondContact O-N 2.87Å; N257-S261 WeakPolarHBondContact O-CB 3.35Å; N257-S261 PolarHBondContact O-N 3.46Å
258Q91.4Very high93Very high144 Ų14458 Ų5867%0.67330%0.295SS*.Hα-helixtrans-64.4-46.1178.4-176.6177.9-1.300111.1S254 I255 I256 S261 Q262S254-Q258 PolarHBondContact O-N 2.9Å; I255-Q258 PolarHBondContact O-N 2.83Å; I256-Q258 PolarHBondContact O-N 3.21Å; Q258-S261 PolarHBondContact O-N 3.46Å; Q258-Q262 WeakPolarHBondContact O-CB 3.45Å; Q258-Q262 PolarHBondContact O-N 2.88Å
259V92Very high93.3Very high19 Ų1957.6 Ų57.612%0.11530%0.296CS..Hα-helixtrans-61.3-50.8179.2171.10000110.6A174 A175 V179 I255 I256 S261 Q262 T263A174-V259 HydrophobicContact CB-CG1 4.28Å; A175-V259 HydrophobicContact CB-CG2 3.87Å; V179-V259 HydrophobicContact CG2-CG2 4.25Å; I255-V259 HydrophobicContact CG2-CG2 4.2Å; I255-V259 WeakPolarHBondContact O-CB 3.43Å; I255-V259 VanDerWaalsContact O-CG2 3.29Å; I255-V259 WeakPolarHBondContact O-CG2 3.35Å; I255-V259 PolarHBondContact O-N 3.25Å; I256-V259 PolarHBondContact O-N 3.42Å; V259-S261 VanDerWaalsContact C-N 3.33Å; V259-S261 PolarHBondContact O-N 3.46Å; V259-Q262 PolarHBondContact O-N 3.47Å; V259-T263 WeakPolarHBondContact O-CB 3.15Å; V259-T263 PolarHBondContact O-N 3.46Å; V259-T263 PolarHBondContact O-OG1 2.69Å
260L93.9Very high93.7Very high8 Ų856.3 Ų56.34%0.04228%0.277CS..Hα-helixtrans-63.1-38.4-178.9-67.4-179.9000112.6F120 L243 I245 L247 I256 Q264F120-L260 HydrophobicContact CD2-CB 3.99Å; F120-L260 HydrophobicContact CD2-CD1 4.08Å; F120-L260 HydrophobicContact CE2-CB 3.91Å; F120-L260 HydrophobicContact CE2-CD1 3.74Å; F120-L260 HydrophobicContact CE2-CG 4.49Å; F120-L260 HydrophobicContact CG-CB 4.45Å; F120-L260 HydrophobicContact CZ-CB 4.27Å; L243-L260 HydrophobicContact CD2-CD2 4.36Å; I245-L260 HydrophobicContact CB-CD2 4.31Å; I245-L260 HydrophobicContact CD1-CD2 3.96Å; L247-L260 HydrophobicContact CD1-CD2 4.44Å; I256-L260 HydrophobicContact CG2-CD1 3.74Å; I256-L260 HydrophobicContact CG2-CG 4.22Å; I256-L260 WeakPolarHBondContact O-CB 3.15Å; I256-L260 VanDerWaalsContact O-CG 3.31Å; I256-L260 WeakPolarHBondContact O-CG 3.47Å; I256-L260 PolarHBondContact O-N 2.76Å; L260-Q264 PolarHBondContact O-N 3.41Å
261S95.1Very high94.2Very high7 Ų743.9 Ų43.95%0.04923%0.23CC..Hα-helixtrans-64.1-46.6174.4-1710000111.4T100 V108 N257 Q258 V259 Q264 V265T100-S261 PolarHBondContact OG1-OG 2.83Å; V108-S261 WeakPolarHBondContact CG1-OG 3.43Å; N257-S261 WeakPolarHBondContact O-CB 3.35Å; N257-S261 PolarHBondContact O-N 3.46Å; Q258-S261 PolarHBondContact O-N 3.46Å; V259-S261 VanDerWaalsContact C-N 3.33Å; V259-S261 PolarHBondContact O-N 3.46Å; S261-Q264 PolarHBondContact O-N 2.67Å; S261-V265 PolarHBondContact O-N 2.66Å
262Q94.4Very high94.5Very high89 Ų8944.1 Ų44.142%0.41623%0.229SC..Hα-helixtrans-64.7-41.4179.5-171.860.746.500111.9Q258 V259 Q264 V265 D266Q258-Q262 WeakPolarHBondContact O-CB 3.45Å; Q258-Q262 PolarHBondContact O-N 2.88Å; V259-Q262 PolarHBondContact O-N 3.47Å; Q262-Q264 PolarHBondContact O-N 3.48Å; Q262-V265 PolarHBondContact O-N 3.2Å; Q262-V265 VanDerWaalsContact O-N 3.09Å; Q262-D266 PolarHBondContact NE2-OD1 2.68Å; Q262-D266 WeakPolarHBondContact O-CB 3.41Å; Q262-D266 VanDerWaalsContact O-CG 3.31Å; Q262-D266 PolarHBondContact O-N 3.22Å
263T95Very high94.8Very high35 Ų3547.6 Ų47.622%0.21523%0.233CC..Hα-helixtrans-54.3-38.5175.3-62.70000111.9W241 V259 F267W241-T263 HydrophobicContact CH2-CG2 4.48Å; V259-T263 WeakPolarHBondContact O-CB 3.15Å; V259-T263 PolarHBondContact O-N 3.46Å; V259-T263 PolarHBondContact O-OG1 2.69Å; T263-F267 WeakPolarHBondContact O-CB 3.49Å; T263-F267 PolarHBondContact O-N 2.95Å
264Q97.9Very high95Very high0 Ų040.6 Ų40.60%020%0.202CC..Hα-helixtrans-69.5-41.8177.5-69.3-161.6-52.900113.1V108 L122 W241 L243 L260 S261 Q262 A268V108-Q264 HydrophobicContact CG2-CB 4.11Å; L122-Q264 HydrophobicContact CB-CB 4.03Å; L122-Q264 HydrophobicContact CB-CG 4.31Å; L122-Q264 HydrophobicContact CD1-CB 4.19Å; L122-Q264 HydrophobicContact CD2-CB 4.23Å; L122-Q264 WeakPolarHBondContact CD2-O 3.22Å; L122-Q264 HydrophobicContact CG-CB 4.36Å; W241-Q264 HydrophobicContact CD2-CG 4.49Å; W241-Q264 HydrophobicContact CE3-CB 4.32Å; W241-Q264 HydrophobicContact CE3-CG 3.84Å; W241-Q264 HydrophobicContact CH2-CG 4.33Å; W241-Q264 HydrophobicContact CZ3-CB 4.21Å; W241-Q264 HydrophobicContact CZ3-CG 3.75Å; W241-Q264 PolarHBondContact O-NE2 3.38Å; L243-Q264 HydrophobicContact CD2-CG 4.09Å; L260-Q264 PolarHBondContact O-N 3.41Å; S261-Q264 PolarHBondContact O-N 2.67Å; Q262-Q264 PolarHBondContact O-N 3.48Å; Q264-A268 PolarHBondContact O-N 3.27Å; Q264-A268 VanDerWaalsContact O-N 3.17Å
265V97.1Very high95.3Very high4 Ų436.6 Ų36.62%0.02417%0.174CC..Hα-helixtrans-63.5-48.1175.6174.90000110.4Q102 V108 S261 Q262 F267 A268 N269Q102-V265 HydrophobicContact CG-CG1 4.01Å; Q102-V265 HydrophobicContact CG-CG2 4.41Å; V108-V265 HydrophobicContact CG2-CG2 3.84Å; S261-V265 PolarHBondContact O-N 2.66Å; Q262-V265 PolarHBondContact O-N 3.2Å; Q262-V265 VanDerWaalsContact O-N 3.09Å; V265-F267 VanDerWaalsContact C-N 3.34Å; V265-F267 PolarHBondContact O-N 3.09Å; V265-A268 WeakPolarHBondContact O-CB 3.42Å; V265-A268 PolarHBondContact O-N 2.93Å; V265-N269 PolarHBondContact O-N 3.09Å; V265-N269 VanDerWaalsContact O-N 3.12Å; V265-N269 PolarHBondContact O-ND2 3.44Å
266D96.6Very high95.3Very high41 Ų4140.6 Ų40.622%0.21919%0.191CC..Hα-helixtrans-60.1-46.5179.3-70.1-16.6000110.7N150 Q262 A268 N269 H270N150-D266 WeakPolarHBondContact ND2-CB 3.5Å; Q262-D266 PolarHBondContact NE2-OD1 2.68Å; Q262-D266 WeakPolarHBondContact O-CB 3.41Å; Q262-D266 VanDerWaalsContact O-CG 3.31Å; Q262-D266 PolarHBondContact O-N 3.22Å; D266-A268 VanDerWaalsContact C-N 3.29Å; D266-A268 PolarHBondContact O-N 3.01Å; D266-N269 PolarHBondContact O-N 3.02Å; D266-N269 VanDerWaalsContact O-N 3.11Å; D266-H270 VanDerWaalsContact C-ND1 3.33Å; D266-H270 PolarHBondContact O-N 3.06Å; D266-H270 PolarHBondContact O-ND1 3.38Å
267F97.9Very high95Very high4 Ų442.6 Ų42.62%0.01821%0.208CC..Hα-helixtrans-53.4-46.5175.9170.1-91000111.9L122 L137 M144 W147 M225 L239 W241 T263 V265 N269 H270 L271L122-F267 HydrophobicContact CD2-CD1 4.23Å; L137-F267 HydrophobicContact CD2-CE2 4.01Å; L137-F267 HydrophobicContact CD2-CZ 3.6Å; M144-F267 HydrophobicContact CE-CE2 4.41Å; M144-F267 HydrophobicContact SD-CE2 4.39Å; W147-F267 HydrophobicContact CH2-CE2 4.01Å; M225-F267 HydrophobicContact CE-CE1 3.85Å; M225-F267 HydrophobicContact CE-CE2 3.91Å; M225-F267 HydrophobicContact CE-CZ 3.46Å; M225-F267 VanDerWaalsContact CE-CZ 3.46Å; M225-F267 HydrophobicContact SD-CZ 4.28Å; L239-F267 HydrophobicContact CD2-CE1 3.79Å; W241-F267 HydrophobicContact CE3-CB 4.5Å; W241-F267 AromaticContact CE3-CD1 3.81Å; W241-F267 HydrophobicContact CE3-CD1 3.81Å; W241-F267 HydrophobicContact CE3-CE1 4.29Å; W241-F267 HydrophobicContact CE3-CG 4.15Å; W241-F267 HydrophobicContact CH2-CB 4.47Å; W241-F267 HydrophobicContact CH2-CG 4.41Å; W241-F267 HydrophobicContact CZ3-CB 3.69Å; W241-F267 AromaticContact CZ3-CD1 3.78Å; W241-F267 HydrophobicContact CZ3-CD1 3.78Å; W241-F267 HydrophobicContact CZ3-CD2 4.27Å; W241-F267 AromaticContact CZ3-CG 3.63Å; W241-F267 HydrophobicContact CZ3-CG 3.63Å; T263-F267 WeakPolarHBondContact O-CB 3.49Å; T263-F267 PolarHBondContact O-N 2.95Å; V265-F267 VanDerWaalsContact C-N 3.34Å; V265-F267 PolarHBondContact O-N 3.09Å; F267-N269 VanDerWaalsContact C-N 3.32Å; F267-N269 PolarHBondContact O-N 3.45Å; F267-H270 PolarHBondContact O-N 2.92Å; F267-L271 HydrophobicContact CE1-CD2 3.95Å; F267-L271 HydrophobicContact CZ-CD2 4.08Å; F267-L271 VanDerWaalsContact O-CB 3.3Å; F267-L271 WeakPolarHBondContact O-CB 3.2Å; F267-L271 PolarHBondContact O-N 2.99Å
268A98.1Very high94.1Very high1 Ų143 Ų431%0.00821%0.206CC..Hα-helixtrans-60.6-41.8178.400000112.2L122 V124 Q264 V265 D266 R272L122-A268 HydrophobicContact CD2-CB 4.28Å; V124-A268 HydrophobicContact CG1-CB 3.88Å; Q264-A268 PolarHBondContact O-N 3.27Å; Q264-A268 VanDerWaalsContact O-N 3.17Å; V265-A268 WeakPolarHBondContact O-CB 3.42Å; V265-A268 PolarHBondContact O-N 2.93Å; D266-A268 VanDerWaalsContact C-N 3.29Å; D266-A268 PolarHBondContact O-N 3.01Å; A268-R272 WeakPolarHBondContact O-CG 3.45Å; A268-R272 PolarHBondContact O-N 3.03Å; A268-R272 VanDerWaalsContact O-N 3.08Å
269N97.4Very high92.8Very high53 Ų5339.5 Ų39.528%0.28320%0.196SC..Hα-helixtrans-68-40178.7-68.2-26.7000112.6V265 D266 F267 R273V265-N269 PolarHBondContact O-N 3.09Å; V265-N269 VanDerWaalsContact O-N 3.12Å; V265-N269 PolarHBondContact O-ND2 3.44Å; D266-N269 PolarHBondContact O-N 3.02Å; D266-N269 VanDerWaalsContact O-N 3.11Å; F267-N269 VanDerWaalsContact C-N 3.32Å; F267-N269 PolarHBondContact O-N 3.45Å; N269-R273 WeakPolarHBondContact O-CG 3.4Å; N269-R273 PolarHBondContact O-N 3.23Å; N269-R273 PolarHBondContact O-NE 2.9Å
270H97.8Very high91.1Very high24 Ų2442 Ų4211%0.11122%0.219CC..Hα-helixtrans-67.3-43.1175.5-67.7108.7000111.5W147 P149 D266 F267 R272 R273 R274W147-H270 HydrophobicContact CE3-CB 3.89Å; W147-H270 HydrophobicContact CZ3-CB 4.02Å; W147-H270 PolarHBondContact O-CD2 3.33Å; P149-H270 WeakPolarHBondContact CD-CD2 3.28Å; P149-H270 WeakPolarHBondContact CD-NE2 3.21Å; P149-H270 WeakPolarHBondContact CG-NE2 3.42Å; D266-H270 VanDerWaalsContact C-ND1 3.33Å; D266-H270 PolarHBondContact O-N 3.06Å; D266-H270 PolarHBondContact O-ND1 3.38Å; F267-H270 PolarHBondContact O-N 2.92Å; H270-R272 PolarHBondContact O-N 3.27Å; H270-R273 PolarHBondContact CD2-NH2 2.75Å; H270-R273 PolarHBondContact NE2-NH2 3.03Å; H270-R273 PolarHBondContact O-N 3.04Å; H270-R274 WeakPolarHBondContact O-CB 3.31Å; H270-R274 PolarHBondContact O-N 2.79Å
271L97.7Very high89.1Confident1 Ų146 Ų461%0.00525%0.248CC..Hα-helixtrans-61-44.4178.4179.260.4000111.9L133 L137 W147 L239 F267 R274 L275L133-L271 HydrophobicContact CD2-CD2 4.42Å; L137-L271 HydrophobicContact CD1-CD2 4.28Å; L137-L271 HydrophobicContact CD2-CD1 3.99Å; L137-L271 HydrophobicContact CD2-CD2 4.4Å; L137-L271 HydrophobicContact CG-CD1 4.41Å; W147-L271 HydrophobicContact CH2-CB 4.31Å; W147-L271 HydrophobicContact CH2-CD1 3.97Å; W147-L271 HydrophobicContact CZ2-CD1 4.45Å; W147-L271 HydrophobicContact CZ3-CB 4.07Å; W147-L271 HydrophobicContact CZ3-CD1 4.43Å; L239-L271 HydrophobicContact CD2-CD2 3.89Å; F267-L271 HydrophobicContact CE1-CD2 3.95Å; F267-L271 HydrophobicContact CZ-CD2 4.08Å; F267-L271 VanDerWaalsContact O-CB 3.3Å; F267-L271 WeakPolarHBondContact O-CB 3.2Å; F267-L271 PolarHBondContact O-N 2.99Å; L271-R274 PolarHBondContact O-N 3.38Å; L271-L275 HydrophobicContact CD1-CD1 3.88Å; L271-L275 HydrophobicContact CD1-CG 4.15Å; L271-L275 HydrophobicContact CG-CD1 3.93Å; L271-L275 VanDerWaalsContact O-CG 3.29Å; L271-L275 WeakPolarHBondContact O-CG 3.17Å; L271-L275 PolarHBondContact O-N 3.08Å
272R97Very high86.9Confident39 Ų3951.3 Ų51.315%0.14727%0.272CS..Hα-helixtrans-58.7-51.4176-75-174.2-174.2980.6112.2N104 D106 V125 V126 A268 H270 R274 L275 E276N104-R272 PolarHBondContact ND2-NH1 3.15Å; D106-R272 VanDerWaalsContact CG-NH2 3.25Å; D106-R272 IonicContact OD1-CZ 2.68Å; D106-R272 IonicContact OD1-NH1 3.85Å; D106-R272 IonicContact OD1-NH2 3Å; D106-R272 PolarHBondContact OD1-NH2 2.87Å; D106-R272 IonicContact OD2-CZ 3.45Å; D106-R272 VanDerWaalsContact OD2-CZ 3.3Å; D106-R272 IonicContact OD2-NH1 2.89Å; D106-R272 PolarHBondContact OD2-NH1 2.76Å; D106-R272 IonicContact OD2-NH2 3.47Å; D106-R272 PolarHBondContact OD2-NH2 2.85Å; D106-R272 VanDerWaalsContact OD2-NH2 3.09Å; V125-R272 PolarHBondContact O-NH2 3.39Å; V126-R272 HydrophobicContact CG1-CG 4.45Å; A268-R272 WeakPolarHBondContact O-CG 3.45Å; A268-R272 PolarHBondContact O-N 3.03Å; A268-R272 VanDerWaalsContact O-N 3.08Å; H270-R272 PolarHBondContact O-N 3.27Å; R272-R274 VanDerWaalsContact C-N 3.29Å; R272-R274 PolarHBondContact O-N 3.2Å; R272-L275 PolarHBondContact O-N 3.29Å; R272-L275 VanDerWaalsContact O-N 3.14Å; R272-E276 WeakPolarHBondContact O-CG 3.17Å; R272-E276 PolarHBondContact O-N 3.39Å
273R96.4Very high84.8Confident141 Ų14149.6 Ų49.653%0.53227%0.272SS..Hα-helixtrans-58.6-41.4178.5-74.4-174-73.1167.7-8.1112N269 H270 L275 E276 S277N269-R273 WeakPolarHBondContact O-CG 3.4Å; N269-R273 PolarHBondContact O-N 3.23Å; N269-R273 PolarHBondContact O-NE 2.9Å; H270-R273 PolarHBondContact CD2-NH2 2.75Å; H270-R273 PolarHBondContact NE2-NH2 3.03Å; H270-R273 PolarHBondContact O-N 3.04Å; R273-L275 PolarHBondContact O-N 3.25Å; R273-E276 PolarHBondContact O-N 2.73Å; R273-S277 WeakPolarHBondContact O-CB 3.35Å; R273-S277 PolarHBondContact O-N 3.24Å; R273-S277 PolarHBondContact O-OG 2.94Å
274R96.1Very high82Confident28 Ų2859 Ų5911%0.10630%0.304CS..Hα-helixtrans-59.1-48.4176.2174.355.8172.9-157-11.2111.2E136 E146 W147 H270 L271 R272 E276 S277 R278E136-R274 HydrophobicContact CG-CG 4.48Å; E136-R274 IonicContact OE1-CZ 3.89Å; E136-R274 IonicContact OE1-NE 3.67Å; E136-R274 PolarHBondContact OE1-NE 3.46Å; E136-R274 IonicContact OE1-NH2 3.73Å; E136-R274 IonicContact OE2-CZ 3.92Å; E136-R274 IonicContact OE2-NE 2.77Å; E136-R274 PolarHBondContact OE2-NE 2.86Å; E136-R274 IonicContact OE2-NH2 3.49Å; E136-R274 PolarHBondContact OE2-NH2 2.75Å; E136-R274 VanDerWaalsContact OE2-NH2 3.14Å; E146-R274 IonicContact OE2-NH1 3.5Å; E146-R274 IonicContact OE2-NH2 2.76Å; W147-R274 HydrophobicContact CB-CB 4.14Å; W147-R274 HydrophobicContact CB-CG 4.23Å; W147-R274 HydrophobicContact CD2-CB 3.87Å; W147-R274 HydrophobicContact CD2-CG 3.86Å; W147-R274 HydrophobicContact CE3-CB 4.05Å; W147-R274 HydrophobicContact CG-CB 3.92Å; W147-R274 HydrophobicContact CG-CG 3.71Å; H270-R274 WeakPolarHBondContact O-CB 3.31Å; H270-R274 PolarHBondContact O-N 2.79Å; L271-R274 PolarHBondContact O-N 3.38Å; R272-R274 VanDerWaalsContact C-N 3.29Å; R272-R274 PolarHBondContact O-N 3.2Å; R274-E276 VanDerWaalsContact C-N 3.34Å; R274-E276 PolarHBondContact O-N 3.33Å; R274-S277 PolarHBondContact O-N 3.04Å; R274-S277 PolarHBondContact O-OG 3.31Å; R274-R278 VanDerWaalsContact CZ-CD 3.45Å; R274-R278 PolarHBondContact O-N 2.9Å
275L94.3Very high79Confident1 Ų168 Ų681%0.00537%0.365CS..Hα-helixtrans-71.3-28.9-177.1-63.7165000113.1V126 Q128 R132 L133 E136 L271 R272 R273V126-L275 HydrophobicContact CG1-CD1 3.74Å; Q128-L275 HydrophobicContact CB-CD1 4.23Å; Q128-L275 HydrophobicContact CG-CB 3.82Å; Q128-L275 HydrophobicContact CG-CD1 4.15Å; R132-L275 HydrophobicContact CB-CD2 4.16Å; L133-L275 HydrophobicContact CD1-CD1 3.82Å; L133-L275 HydrophobicContact CG-CD1 3.93Å; E136-L275 HydrophobicContact CG-CD2 3.98Å; L271-L275 HydrophobicContact CD1-CD1 3.88Å; L271-L275 HydrophobicContact CD1-CG 4.15Å; L271-L275 HydrophobicContact CG-CD1 3.93Å; L271-L275 VanDerWaalsContact O-CG 3.29Å; L271-L275 WeakPolarHBondContact O-CG 3.17Å; L271-L275 PolarHBondContact O-N 3.08Å; R272-L275 PolarHBondContact O-N 3.29Å; R272-L275 VanDerWaalsContact O-N 3.14Å; R273-L275 PolarHBondContact O-N 3.25Å
276E90.7Very high78.1Confident137 Ų13771.3 Ų71.364%0.6438%0.382SS*.Hα-helixtrans-70.1-39.7171.9-72.3165.4-169.200112R272 R273 R274 R278R272-E276 WeakPolarHBondContact O-CG 3.17Å; R272-E276 PolarHBondContact O-N 3.39Å; R273-E276 PolarHBondContact O-N 2.73Å; R274-E276 VanDerWaalsContact C-N 3.34Å; R274-E276 PolarHBondContact O-N 3.33Å; E276-R278 PolarHBondContact O-N 2.93Å
277S84.9Confident77.1Confident77 Ų7772.8 Ų72.854%0.53839%0.391SS..Hα-helixtrans-68.8-19-178.569.70000114.2R273 R274R273-S277 WeakPolarHBondContact O-CB 3.35Å; R273-S277 PolarHBondContact O-N 3.24Å; R273-S277 PolarHBondContact O-OG 2.94Å; R274-S277 PolarHBondContact O-N 3.04Å; R274-S277 PolarHBondContact O-OG 3.31Å
278R74.9Confident75.9Confident49 Ų4976.7 Ų76.719%0.18541%0.412CS..SBendtrans-120.592.5179.4-71.5173.6113.8-140.8-4109R132 E136 R140 R274 E276R132-R278 PolarHBondContact NH2-O 3.11Å; E136-R278 IonicContact OE1-CZ 2.77Å; E136-R278 IonicContact OE1-NH1 2.79Å; E136-R278 PolarHBondContact OE1-NH1 3.15Å; R140-R278 VanDerWaalsContact NH2-NH2 3.2Å; R274-R278 VanDerWaalsContact CZ-CD 3.45Å; R274-R278 PolarHBondContact O-N 2.9Å; E276-R278 PolarHBondContact O-N 2.93Å
279P62.8Low74.6Confident71 Ų7181.1 Ų81.146%0.46144%0.435SS..  trans-66.7153.8171.426.3-30.5000110.2S281 E282P279-S281 PolarHBondContact O-N 2.87Å; P279-E282 PolarHBondContact O-N 2.53Å
280A57.4Low73.2Confident71 Ų7182.9 Ų82.959%0.58745%0.445SS*.G310 helixtrans-56.9-11.8-172.800000115.5
281S51.4Low71.6Confident93 Ų9386.8 Ų86.865%0.6547%0.467SS*.G310 helixtrans-74-22.4-179.850.80000114.8P279P279-S281 PolarHBondContact O-N 2.87Å
282E50.2Low69.7Low119 Ų11992.9 Ų92.956%0.55650%0.5SS*.G310 helixtrans-87.4-4.1-178-68.7-174.9169.400114P279 R284P279-E282 PolarHBondContact O-N 2.53Å; E282-R284 VanDerWaalsContact C-N 3.3Å; E282-R284 PolarHBondContact O-N 3.01Å
283A48.3Very low67.6Low52 Ų5297.1 Ų97.143%0.4353%0.527SS..G310 helixtrans-86.910.2-17800000114.2
284R38.1Very low65.2Low232 Ų23293.4 Ų93.488%0.87553%0.527SS*.G310 helixtrans-132.222.7-176.5-69.9-168.7179.1-172.61.1115.1E282E282-R284 VanDerWaalsContact C-N 3.3Å; E282-R284 PolarHBondContact O-N 3.01Å
285C33.6Very low62.4Low191 Ų19199.4 Ų99.4100%1.29157%0.565SS**  trans-109.70170.7-69.50000110.3

Retrieved 285 of 285 residues in 571.9 ms (Link to these results)