A0A096NJ24_PAPAN Loading...

Proteasome assembly chaperone 1

Chaperone protein which promotes assembly of the 20S proteasome as part of a heterodimer with PSMG2. The PSMG1-PSMG2 heterodimer binds to the PSMA5 and PSMA7 proteasome subunits, promotes assembly of the proteasome alpha subunits into the heteroheptameric alpha ring and prevents alpha ring dimerization. Chaperone protein which promotes assembly of the 20S proteasome as part of a heterodimer with psmg2.

AlphaFold DB , UniProt , Accession A0A096NJ24, Species PAPAN (Papio anubis, Olive baboon), Gene PSMG1, Length 288 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
1M48Very low55.3Low213 Ų213130.9 Ų130.9100%1.04972%0.724SS**  0133.10-90.5-179.5-107.200108.3V9M1-V9 HydrophobicContact SD-CG1 4.41Å
2A53.3Low55.1Low77 Ų77124.5 Ų124.564%0.63670%0.701SS**  trans-124.5133.1170.600000107.7
3A49.3Very low54.5Low93 Ų93125.2 Ų125.277%0.76971%0.714SS**  trans-91.1136.617800000109.6
4T59.7Low54.1Low76 Ų76123.3 Ų123.347%0.46671%0.71SS.*  trans-88.816016861.10000110.2F6 G7 E8T4-F6 PolarHBondContact O-N 3.39Å; T4-G7 PolarHBondContact O-N 3.45Å; T4-G7 VanDerWaalsContact O-N 3.1Å; T4-E8 PolarHBondContact OG1-O 3.29Å
5F54.8Low54.1Low198 Ų198132.5 Ų132.587%0.86873%0.729SS**THydrogen-bonded Turntrans-60.8-10.4-173.3-175.2-102.6000115.3
6F61.1Low53.7Low183 Ų183129.2 Ų129.280%0.80373%0.725SS**THydrogen-bonded Turntrans-109.613.4177.2-77.8-82.2000114.5T4 E8T4-F6 PolarHBondContact O-N 3.39Å; F6-E8 VanDerWaalsContact C-N 3.25Å; F6-E8 PolarHBondContact O-N 3.38Å
7G56.8Low53.3Low64 Ų64124.9 Ų124.966%0.6672%0.716SS**  trans76.22.8169.400000115.8T4 V9T4-G7 PolarHBondContact O-N 3.45Å; T4-G7 VanDerWaalsContact O-N 3.1Å; G7-V9 PolarHBondContact O-N 2.88Å
8E62.2Low53Low149 Ų149126.1 Ų126.170%0.69673%0.726SS**  trans-75.2119.2166.7-84.1-173.8155.300110.4T4 F6 V10T4-E8 PolarHBondContact OG1-O 3.29Å; F6-E8 VanDerWaalsContact C-N 3.25Å; F6-E8 PolarHBondContact O-N 3.38Å; E8-V10 PolarHBondContact O-N 3.48Å
9V54.1Low52.6Low108 Ų108126.1 Ų126.166%0.65572%0.719SS**  trans-78.789.1173.8-175.30000108.2M1 G7 K11M1-V9 HydrophobicContact SD-CG1 4.41Å; G7-V9 PolarHBondContact O-N 2.88Å; V9-K11 PolarHBondContact O-N 2.87Å
10V56.6Low52.5Low89 Ų89125.4 Ų125.454%0.53971%0.713SS.*  trans-76.3119.2170.5-172.20000108E8 A12E8-V10 PolarHBondContact O-N 3.48Å; V10-A12 PolarHBondContact O-N 3.44Å
11K52.3Low52.4Low190 Ų190127.8 Ų127.883%0.82672%0.718SS**  trans-61.4107.2167.2-87.9-176.2175.7-179.20107.5V9V9-K11 PolarHBondContact O-N 2.87Å
12A53.2Low52.4Low54 Ų54125.7 Ų125.745%0.44671%0.706SS.*  trans-56.5133.416600000107.6V10 C14V10-A12 PolarHBondContact O-N 3.44Å; A12-C14 PolarHBondContact O-N 3.35Å
13P46.7Very low52.1Low134 Ų134128.1 Ų128.187%0.8770%0.704SS**  trans-66.589.9170.226.9-30.5000107.1R15P13-R15 PolarHBondContact O-N 3.33Å
14C49.1Very low52.1Low98 Ų98128.1 Ų128.166%0.66269%0.688SS**  trans-68120.8166.2-74.40000106.2A12 A16A12-C14 PolarHBondContact O-N 3.35Å; C14-A16 HydrophobicContact CB-CB 4.33Å; C14-A16 PolarHBondContact O-N 3.33Å
15R54.3Low51.6Low261 Ų261131 Ų13199%0.98570%0.696SS**  trans-69.627.3168.4-159-176.5174.9172.7-1111.9P13P13-R15 PolarHBondContact O-N 3.33Å
16A48.3Very low51.4Low80 Ų80127.7 Ų127.766%0.66168%0.684SS**SBendtrans-113.197.3-178.900000107.2C14C14-A16 HydrophobicContact CB-CB 4.33Å; C14-A16 PolarHBondContact O-N 3.33Å
17G47Very low51Low57 Ų57122.6 Ų122.659%0.58868%0.683SS**  trans38.691.8153.600000117.8E19G17-E19 VanDerWaalsContact C-N 3.3Å
18T46.7Very low51Low145 Ų145129 Ų12989%0.8969%0.687SS**  trans-103.266.7131.352.10000105.7
19E46.2Very low50.9Low127 Ų127130.1 Ų130.159%0.59369%0.685SS**  trans-87.9122.8160.9-71.4177.7-169.100104.1G17 E21G17-E19 VanDerWaalsContact C-N 3.3Å; E19-E21 PolarHBondContact O-N 3.02Å
20D50Low51.6Low112 Ų112128.5 Ų128.560%0.59967%0.67SS**  trans-53.8132.9179.7-66.4-51.7000108.7E22 E23D20-E22 PolarHBondContact O-N 3Å; D20-E23 PolarHBondContact O-N 3.24Å
21E51.2Low52.9Low175 Ų175127 Ų12782%0.81866%0.661SS**Hα-helixtrans-55.8-16.3-175.9-66.5-178.5167.300113E19E19-E21 PolarHBondContact O-N 3.02Å
22E48Very low54.5Low169 Ų169123.1 Ų123.179%0.7966%0.655SS**Hα-helixtrans-78.2-31.1174.4-62.6-174.7174.400113.6D20D20-E22 PolarHBondContact O-N 3Å
23E47.3Very low56Low129 Ų129127.8 Ų127.860%0.60367%0.668SS**Hα-helixtrans-78.3-30.5176.9-70.5-169164.900112.2D20 E25 E26 G27D20-E23 PolarHBondContact O-N 3.24Å; E23-E25 VanDerWaalsContact C-N 3.29Å; E23-E25 PolarHBondContact O-N 2.82Å; E23-E26 PolarHBondContact O-N 2.83Å; E23-G27 PolarHBondContact O-N 2.9Å
24E48.6Very low57.7Low93 Ų93125 Ų12544%0.43565%0.646SS.*Hα-helixtrans-67.1-26.8174.2-75.2-163.8-178.700113R28E24-R28 WeakPolarHBondContact O-CG 3.34Å
25E49.5Very low59.4Low135 Ų135126.9 Ų126.963%0.63164%0.639SS**Hα-helixtrans-73.9-33.4176.1-81.5-156.8158.600112.9E23 R28E23-E25 VanDerWaalsContact C-N 3.29Å; E23-E25 PolarHBondContact O-N 2.82Å; E25-R28 PolarHBondContact O-N 3.01Å
26E49.9Very low61Low130 Ų130118.4 Ų118.461%0.60761%0.611SS**Hα-helixtrans-74-34.6178-86-170.6156.300112.8E23 R28 R29E23-E26 PolarHBondContact O-N 2.83Å; E26-R28 PolarHBondContact O-N 2.63Å; E26-R29 PolarHBondContact O-N 3.31Å; E26-R29 IonicContact OE1-NH1 2.86Å
27G53Low62.7Low76 Ų76118.4 Ų118.478%0.78460%0.602SS**THydrogen-bonded Turntrans-67.3-14171.800000114.7E23E23-G27 PolarHBondContact O-N 2.9Å
28R56.4Low64.4Low199 Ų199121.4 Ų121.475%0.75160%0.596SS**THydrogen-bonded Turntrans-93.9-6175.6-72.6178.7-173.3-160.77.3113.8E24 E25 E26 E30E24-R28 WeakPolarHBondContact O-CG 3.34Å; E25-R28 PolarHBondContact O-N 3.01Å; E26-R28 PolarHBondContact O-N 2.63Å; R28-E30 PolarHBondContact O-N 3.44Å
29R61.6Low66.2Low171 Ų171119 Ų11965%0.64558%0.575SS**SBendtrans-76.997.4176.3-72.1-176.4-176.7164.65.7109.5E26 T31E26-R29 PolarHBondContact O-N 3.31Å; E26-R29 IonicContact OE1-NH1 2.86Å; R29-T31 PolarHBondContact O-N 3.01Å; R29-T31 VanDerWaalsContact O-N 3.13Å
30E68.3Low68Low75 Ų75117.2 Ų117.235%0.3557%0.566SS.*  trans-45.4116.4170.7-174-174.3-107.400111.7R28 D34 R35 R38R28-E30 PolarHBondContact O-N 3.44Å; E30-D34 HydrophobicContact CG-CB 3.93Å; E30-R35 HydrophobicContact CG-CG 3.88Å; E30-R35 WeakPolarHBondContact OE2-CG 3.37Å; E30-R35 IonicContact OE2-CZ 3.99Å; E30-R35 IonicContact OE2-NE 3.86Å; E30-R35 PolarHBondContact OE2-NE 3.02Å; E30-R35 IonicContact OE2-NH2 3.74Å; E30-R38 IonicContact OE1-CZ 3.6Å; E30-R38 IonicContact OE1-NE 2.61Å; E30-R38 IonicContact OE1-NH1 3.75Å; E30-R38 PolarHBondContact OE1-NH1 2.91Å; E30-R38 IonicContact OE1-NH2 2.74Å; E30-R38 PolarHBondContact OE1-NH2 3.1Å; E30-R38 IonicContact OE2-NH1 2.62Å
31T84.4Confident69.5Low58 Ų58115.1 Ų115.136%0.35656%0.555SS.*  trans-69.5156.9-177.5680000110.5R29 E33 D34 R35R29-T31 PolarHBondContact O-N 3.01Å; R29-T31 VanDerWaalsContact O-N 3.13Å; T31-E33 PolarHBondContact O-N 3.11Å; T31-D34 WeakPolarHBondContact CB-OD2 3.3Å; T31-D34 PolarHBondContact N-OD2 2.87Å; T31-D34 VanDerWaalsContact N-OD2 3.09Å; T31-D34 PolarHBondContact O-N 3.35Å; T31-D34 VanDerWaalsContact O-N 3.13Å; T31-D34 PolarHBondContact OG1-N 3.49Å; T31-D34 VanDerWaalsContact OG1-N 3.08Å; T31-D34 PolarHBondContact OG1-OD2 2.87Å; T31-R35 PolarHBondContact O-N 3.01Å; T31-R35 VanDerWaalsContact O-N 3.08Å
32P84.4Confident70.8Confident107 Ų107109.6 Ų109.670%0.69554%0.539SS*.Hα-helixtrans-57.2-29.8172.222.7-33.6000112.6R35 E36P32-R35 PolarHBondContact O-N 2.88Å; P32-E36 PolarHBondContact O-N 3.2Å; P32-E36 VanDerWaalsContact O-N 3.13Å
33E84.3Confident72.4Confident152 Ų152109.4 Ų109.471%0.7153%0.531SS*.Hα-helixtrans-68.3-44.4174.5-61.8-174.9178.200111.5T31 R35 E36 V37T31-E33 PolarHBondContact O-N 3.11Å; E33-R35 VanDerWaalsContact C-N 3.26Å; E33-R35 PolarHBondContact O-N 3.13Å; E33-E36 PolarHBondContact O-N 2.96Å; E33-E36 VanDerWaalsContact O-N 3.15Å; E33-V37 WeakPolarHBondContact O-CG2 3.48Å; E33-V37 PolarHBondContact O-N 3.21Å
34D84.1Confident74Confident77 Ų77109 Ų10941%0.41253%0.527SS..Hα-helixtrans-61.2-35.5175.8-63-41.7000112.3E30 T31 R38E30-D34 HydrophobicContact CG-CB 3.93Å; T31-D34 WeakPolarHBondContact CB-OD2 3.3Å; T31-D34 PolarHBondContact N-OD2 2.87Å; T31-D34 VanDerWaalsContact N-OD2 3.09Å; T31-D34 PolarHBondContact O-N 3.35Å; T31-D34 VanDerWaalsContact O-N 3.13Å; T31-D34 PolarHBondContact OG1-N 3.49Å; T31-D34 VanDerWaalsContact OG1-N 3.08Å; T31-D34 PolarHBondContact OG1-OD2 2.87Å; D34-R38 WeakPolarHBondContact O-CB 3.36Å; D34-R38 PolarHBondContact O-N 3.13Å
35R84.7Confident75.6Confident137 Ų137108.2 Ų108.252%0.51752%0.52SS..Hα-helixtrans-63.3-47.7173.3-72.4-179.2179.1169.57.5111.8E30 T31 P32 E33 R38 Q39E30-R35 HydrophobicContact CG-CG 3.88Å; E30-R35 WeakPolarHBondContact OE2-CG 3.37Å; E30-R35 IonicContact OE2-CZ 3.99Å; E30-R35 IonicContact OE2-NE 3.86Å; E30-R35 PolarHBondContact OE2-NE 3.02Å; E30-R35 IonicContact OE2-NH2 3.74Å; T31-R35 PolarHBondContact O-N 3.01Å; T31-R35 VanDerWaalsContact O-N 3.08Å; P32-R35 PolarHBondContact O-N 2.88Å; E33-R35 VanDerWaalsContact C-N 3.26Å; E33-R35 PolarHBondContact O-N 3.13Å; R35-R38 PolarHBondContact O-N 2.97Å; R35-Q39 WeakPolarHBondContact O-CG 3.33Å; R35-Q39 PolarHBondContact O-N 3.37Å
36E87.2Confident77.2Confident83 Ų83105.2 Ų105.239%0.38851%0.506SS..Hα-helixtrans-63.1-45.3178.7-17856.9-148.100110.8P32 E33 R38 Q39 Q40P32-E36 PolarHBondContact O-N 3.2Å; P32-E36 VanDerWaalsContact O-N 3.13Å; E33-E36 PolarHBondContact O-N 2.96Å; E33-E36 VanDerWaalsContact O-N 3.15Å; E36-R38 VanDerWaalsContact C-N 3.33Å; E36-R38 PolarHBondContact O-N 2.62Å; E36-Q39 PolarHBondContact O-N 3.24Å; E36-Q40 WeakPolarHBondContact O-CG 3.39Å; E36-Q40 PolarHBondContact O-N 2.96Å; E36-Q40 WeakPolarHBondContact OE1-CG 3.42Å; E36-Q40 PolarHBondContact OE1-NE2 2.91Å
37V84.4Confident78.9Confident80 Ų8099 Ų9949%0.48548%0.477SS..Hα-helixtrans-58.1-45.7176.4171.70000110.9E33 Q40 L41E33-V37 WeakPolarHBondContact O-CG2 3.48Å; E33-V37 PolarHBondContact O-N 3.21Å; V37-Q40 PolarHBondContact O-N 3.37Å; V37-L41 HydrophobicContact CG1-CD1 3.94Å; V37-L41 WeakPolarHBondContact O-CB 3.43Å; V37-L41 PolarHBondContact O-N 2.92Å
38R83.2Confident80.5Confident120 Ų120101.3 Ų101.345%0.45346%0.462SS..Hα-helixtrans-64.9-40.8177.6-169.1-176.6-54.591.410.9112.5E30 D34 R35 E36 Q40 L41 A42E30-R38 IonicContact OE1-CZ 3.6Å; E30-R38 IonicContact OE1-NE 2.61Å; E30-R38 IonicContact OE1-NH1 3.75Å; E30-R38 PolarHBondContact OE1-NH1 2.91Å; E30-R38 IonicContact OE1-NH2 2.74Å; E30-R38 PolarHBondContact OE1-NH2 3.1Å; E30-R38 IonicContact OE2-NH1 2.62Å; D34-R38 WeakPolarHBondContact O-CB 3.36Å; D34-R38 PolarHBondContact O-N 3.13Å; R35-R38 PolarHBondContact O-N 2.97Å; E36-R38 VanDerWaalsContact C-N 3.33Å; E36-R38 PolarHBondContact O-N 2.62Å; R38-Q40 VanDerWaalsContact C-N 3.34Å; R38-L41 PolarHBondContact O-N 3.21Å; R38-A42 VanDerWaalsContact O-CB 3.3Å; R38-A42 WeakPolarHBondContact O-CB 3.27Å; R38-A42 PolarHBondContact O-N 3.16Å
39Q83.4Confident81.9Confident95 Ų9592.1 Ų92.144%0.44443%0.428SS..Hα-helixtrans-63-42.2175.8-74.5-176.623.900111.4R35 E36 A42 R43R35-Q39 WeakPolarHBondContact O-CG 3.33Å; R35-Q39 PolarHBondContact O-N 3.37Å; E36-Q39 PolarHBondContact O-N 3.24Å; Q39-A42 PolarHBondContact O-N 2.9Å; Q39-R43 WeakPolarHBondContact O-CB 3.24Å; Q39-R43 VanDerWaalsContact O-CG 3.28Å; Q39-R43 WeakPolarHBondContact O-CG 3.34Å; Q39-R43 PolarHBondContact O-N 3.3Å
40Q83.8Confident83Confident88 Ų8885.2 Ų85.241%0.41140%0.404SS..Hα-helixtrans-64.2-42.1175.4-70.2-178.414.600111.9E36 V37 R38 R43 K44E36-Q40 WeakPolarHBondContact O-CG 3.39Å; E36-Q40 PolarHBondContact O-N 2.96Å; E36-Q40 WeakPolarHBondContact OE1-CG 3.42Å; E36-Q40 PolarHBondContact OE1-NE2 2.91Å; V37-Q40 PolarHBondContact O-N 3.37Å; R38-Q40 VanDerWaalsContact C-N 3.34Å; Q40-R43 PolarHBondContact O-N 2.95Å; Q40-K44 WeakPolarHBondContact O-CB 3.43Å; Q40-K44 WeakPolarHBondContact O-CG 3.34Å; Q40-K44 PolarHBondContact O-N 3.49Å
41L81.1Confident83.6Confident69 Ų6986 Ų8636%0.36140%0.403SS..Hα-helixtrans-62.8-45.6175-108.4138.2000111.7V37 R38 R43 K44 R45V37-L41 HydrophobicContact CG1-CD1 3.94Å; V37-L41 WeakPolarHBondContact O-CB 3.43Å; V37-L41 PolarHBondContact O-N 2.92Å; R38-L41 PolarHBondContact O-N 3.21Å; L41-R43 VanDerWaalsContact C-N 3.33Å; L41-R43 PolarHBondContact O-N 3.31Å; L41-K44 PolarHBondContact O-N 3.07Å; L41-R45 VanDerWaalsContact CD2-NE 3.33Å; L41-R45 WeakPolarHBondContact O-CB 3.41Å; L41-R45 WeakPolarHBondContact O-CG 3.43Å; L41-R45 PolarHBondContact O-N 3.37Å
42A80.3Confident82.8Confident59 Ų5988.4 Ų88.449%0.48841%0.406SS..Hα-helixtrans-60.3-42.4176.600000111.7R38 Q39 R45 E46R38-A42 VanDerWaalsContact O-CB 3.3Å; R38-A42 WeakPolarHBondContact O-CB 3.27Å; R38-A42 PolarHBondContact O-N 3.16Å; Q39-A42 PolarHBondContact O-N 2.9Å; A42-R45 CarbonylContact O-C 3.56Å; A42-R45 PolarHBondContact O-N 3.4Å; A42-E46 PolarHBondContact O-N 3.13Å; A42-E46 VanDerWaalsContact O-N 3.12Å
43R81.6Confident81.7Confident165 Ų16590.9 Ų90.962%0.62341%0.408SS*.Hα-helixtrans-64.9-39.7174.9-73.1175.7-175.5178.96.3112.6Q39 Q40 L41 E46Q39-R43 WeakPolarHBondContact O-CB 3.24Å; Q39-R43 VanDerWaalsContact O-CG 3.28Å; Q39-R43 WeakPolarHBondContact O-CG 3.34Å; Q39-R43 PolarHBondContact O-N 3.3Å; Q40-R43 PolarHBondContact O-N 2.95Å; L41-R43 VanDerWaalsContact C-N 3.33Å; L41-R43 PolarHBondContact O-N 3.31Å; R43-E46 WeakPolarHBondContact O-CB 3.19Å
44K80.4Confident80.8Confident120 Ų12087.2 Ų87.252%0.52240%0.396SS..Hα-helixtrans-68.2-37.4176.8-76.4176.7-178.2174.40112Q40 L41 E46 W102Q40-K44 WeakPolarHBondContact O-CB 3.43Å; Q40-K44 WeakPolarHBondContact O-CG 3.34Å; Q40-K44 PolarHBondContact O-N 3.49Å; L41-K44 PolarHBondContact O-N 3.07Å; K44-E46 VanDerWaalsContact C-N 3.28Å; K44-E46 PolarHBondContact O-N 3.31Å; K44-W102 HydrophobicContact CB-CD2 4.39Å; K44-W102 HydrophobicContact CB-CE3 4.41Å; K44-W102 WeakPolarHBondContact O-CB 3.28Å
45R81.2Confident79.9Confident77 Ų7791.5 Ų91.529%0.29141%0.411SS..THydrogen-bonded Turntrans-85.97.1179.8-64.7-171.4-179-179.72114L41 A42 V47 W102 E104 D144 Q145L41-R45 VanDerWaalsContact CD2-NE 3.33Å; L41-R45 WeakPolarHBondContact O-CB 3.41Å; L41-R45 WeakPolarHBondContact O-CG 3.43Å; L41-R45 PolarHBondContact O-N 3.37Å; A42-R45 CarbonylContact O-C 3.56Å; A42-R45 PolarHBondContact O-N 3.4Å; R45-V47 PolarHBondContact O-N 3.07Å; R45-W102 HydrophobicContact CG-CB 4.42Å; R45-W102 HydrophobicContact CG-CG 4.14Å; R45-E104 IonicContact NH2-OE1 2.84Å; R45-D144 WeakPolarHBondContact CD-OD2 3.05Å; R45-D144 IonicContact CZ-OD2 3.32Å; R45-D144 IonicContact NE-OD2 3.97Å; R45-D144 IonicContact NH1-OD2 2.66Å; R45-D144 PolarHBondContact NH1-OD2 3.26Å; R45-Q145 PolarHBondContact O-NE2 3.14Å
46E84.7Confident79.4Confident71 Ų7188.6 Ų88.633%0.33241%0.409SS..  trans-65.2127.1177.1-173-173.8-163.700111.1A42 R43 K44 R48A42-E46 PolarHBondContact O-N 3.13Å; A42-E46 VanDerWaalsContact O-N 3.12Å; R43-E46 WeakPolarHBondContact O-CB 3.19Å; K44-E46 VanDerWaalsContact C-N 3.28Å; K44-E46 PolarHBondContact O-N 3.31Å; E46-R48 HydrophobicContact CG-CG 4.27Å; E46-R48 IonicContact OE2-CZ 3.22Å; E46-R48 VanDerWaalsContact OE2-CZ 3.25Å; E46-R48 IonicContact OE2-NE 2.66Å; E46-R48 PolarHBondContact OE2-NE 2.84Å; E46-R48 IonicContact OE2-NH2 2.75Å; E46-R48 PolarHBondContact OE2-NH2 2.97Å
47V85.8Confident78.8Confident0 Ų088.2 Ų88.20%042%0.415CS..  trans-78.8122.4172.4-179.30000109.8R45 A99 L101 Q145 Q148 W149R45-V47 PolarHBondContact O-N 3.07Å; V47-A99 HydrophobicContact CG1-CB 4.48Å; V47-L101 HydrophobicContact CB-CD2 4.39Å; V47-L101 HydrophobicContact CG1-CD2 3.86Å; V47-L101 HydrophobicContact CG2-CD2 3.73Å; V47-Q145 HydrophobicContact CG2-CB 3.78Å; V47-Q145 HydrophobicContact CG2-CG 4.24Å; V47-Q148 HydrophobicContact CB-CB 4.05Å; V47-Q148 HydrophobicContact CG2-CB 3.85Å; V47-W149 HydrophobicContact CG1-CB 4.31Å
48R85.9Confident78.4Confident124 Ų12485.5 Ų85.547%0.46840%0.398SS..EExtended strand (participates in β ladder)trans-118.5131.2-179.9-64.2-176-179.6179.71.7111.4E46 L50 A99 K100E46-R48 HydrophobicContact CG-CG 4.27Å; E46-R48 IonicContact OE2-CZ 3.22Å; E46-R48 VanDerWaalsContact OE2-CZ 3.25Å; E46-R48 IonicContact OE2-NE 2.66Å; E46-R48 PolarHBondContact OE2-NE 2.84Å; E46-R48 IonicContact OE2-NH2 2.75Å; E46-R48 PolarHBondContact OE2-NH2 2.97Å; R48-L50 HydrophobicContact CB-CD2 4.44Å; R48-A99 CarbonylContact O-C 3.59Å; R48-A99 WeakPolarHBondContact O-CA 3.14Å; R48-K100 PolarHBondContact N-O 2.99Å; R48-K100 PolarHBondContact O-N 2.92Å
49L86.1Confident78Confident7 Ų788.5 Ų88.54%0.03742%0.417CS..EExtended strand (participates in β ladder)trans-84.5130.3166.3-68.5-179.9000109.5S57 L58 L62 C98 A99 F123 K152 V153L49-S57 CarbonylContact O-C 3.51Å; L49-S57 VanDerWaalsContact O-CA 3.27Å; L49-S57 WeakPolarHBondContact O-CA 3.33Å; L49-L58 HydrophobicContact CB-CB 3.78Å; L49-L58 PolarHBondContact O-N 3.08Å; L49-L62 HydrophobicContact CD1-CB 3.94Å; L49-C98 CarbonylContact C-O 3.53Å; L49-C98 WeakPolarHBondContact CA-O 3.07Å; L49-A99 HydrophobicContact CD2-CB 3.83Å; L49-F123 HydrophobicContact CD2-CD2 4.31Å; L49-F123 HydrophobicContact CD2-CE2 3.52Å; L49-F123 HydrophobicContact CD2-CZ 4.17Å; L49-K152 HydrophobicContact CD1-CB 3.99Å; L49-K152 WeakPolarHBondContact CD1-O 3.5Å; L49-K152 HydrophobicContact CG-CB 3.96Å; L49-V153 HydrophobicContact CD2-CG2 4.42Å
50L84.6Confident77.8Confident26 Ų2687.6 Ų87.614%0.13642%0.418CS..EExtended strand (participates in β ladder)trans-120.6138.4179.9-57.1177.9000109.4R48 G97 C98 K100R48-L50 HydrophobicContact CB-CD2 4.44Å; L50-G97 CarbonylContact O-C 3.53Å; L50-G97 WeakPolarHBondContact O-CA 3.14Å; L50-C98 PolarHBondContact N-O 2.96Å; L50-C98 PolarHBondContact O-N 2.86Å; L50-K100 HydrophobicContact CD1-CB 3.91Å; L50-K100 HydrophobicContact CD1-CD 4.09Å; L50-K100 HydrophobicContact CG-CB 4.41Å
51R80.9Confident77.8Confident91 Ų9183.9 Ų83.934%0.34340%0.402SS..  trans-80.8119.5164176.3179-87.8-173.8-8.3108.2Q53 T54 K55 T56 L58R51-Q53 VanDerWaalsContact C-N 3.32Å; R51-Q53 PolarHBondContact O-N 2.91Å; R51-T54 WeakPolarHBondContact CD-OG1 3.36Å; R51-T54 PolarHBondContact O-N 3.06Å; R51-K55 VanDerWaalsContact O-CA 3.3Å; R51-K55 WeakPolarHBondContact O-CA 3.23Å; R51-K55 PolarHBondContact O-N 2.85Å; R51-T56 PolarHBondContact N-O 2.65Å; R51-L58 HydrophobicContact CB-CD1 4.32Å
52R67.4Low78Confident108 Ų10880.8 Ų80.841%0.40839%0.386SS..THydrogen-bonded Turntrans-63.1-34.8-171.9-166.1167-175174.64.3114T54 E95R52-T54 VanDerWaalsContact C-N 3.31Å; R52-T54 PolarHBondContact O-N 2.75Å; R52-E95 WeakPolarHBondContact CD-OE1 3.45Å; R52-E95 WeakPolarHBondContact CD-OE2 3.37Å; R52-E95 IonicContact CZ-OE1 3.83Å; R52-E95 IonicContact CZ-OE2 3.95Å; R52-E95 IonicContact NE-OE1 3.25Å; R52-E95 IonicContact NE-OE2 2.77Å; R52-E95 VanDerWaalsContact NH1-CD 3.34Å; R52-E95 IonicContact NH1-OE1 2.82Å; R52-E95 PolarHBondContact NH1-OE1 3.24Å; R52-E95 IonicContact NH1-OE2 3.76Å; R52-E95 PolarHBondContact NH1-OE2 3.45Å
53Q61.9Low78.3Confident160 Ų16078.3 Ų78.375%0.74836%0.364SS*.THydrogen-bonded Turntrans-64.1-33179.7-67.8178.9-100113.3R51R51-Q53 VanDerWaalsContact C-N 3.32Å; R51-Q53 PolarHBondContact O-N 2.91Å
54T64Low78.5Confident75 Ų7573.6 Ų73.646%0.4635%0.349SS..THydrogen-bonded Turntrans-118-8-172.6510000113.5R51 R52 T56R51-T54 WeakPolarHBondContact CD-OG1 3.36Å; R51-T54 PolarHBondContact O-N 3.06Å; R52-T54 VanDerWaalsContact C-N 3.31Å; R52-T54 PolarHBondContact O-N 2.75Å; T54-T56 PolarHBondContact O-N 2.93Å; T54-T56 PolarHBondContact OG1-OG1 2.83Å
55K65.9Low78.8Confident166 Ų16672.4 Ų72.472%0.72234%0.344SS*.  trans5014.2-169.3-66-174.7177.4-177.60114.6R51R51-K55 VanDerWaalsContact O-CA 3.3Å; R51-K55 WeakPolarHBondContact O-CA 3.23Å; R51-K55 PolarHBondContact O-N 2.85Å
56T73.9Confident79Confident77 Ų7770.9 Ų70.947%0.47234%0.339SS..PPolyproline II helixtrans-75.9139.9176.252.60000109.8R51 T54R51-T56 PolarHBondContact N-O 2.65Å; T54-T56 PolarHBondContact O-N 2.93Å; T54-T56 PolarHBondContact OG1-OG1 2.83Å
57S75.4Confident79Confident74 Ų7470.9 Ų70.952%0.51734%0.344SS..BIsolated β-bridgetrans-63.6135.8172.947.90000111.4L49L49-S57 CarbonylContact O-C 3.51Å; L49-S57 VanDerWaalsContact O-CA 3.27Å; L49-S57 WeakPolarHBondContact O-CA 3.33Å
58L75.7Confident79.3Confident23 Ų2371.3 Ų71.312%0.1235%0.348CS..PPolyproline II helixtrans-77.7116.8163.3-122.282.4000107.6L49 R51 V60 L62 K65L49-L58 HydrophobicContact CB-CB 3.78Å; L49-L58 PolarHBondContact O-N 3.08Å; R51-L58 HydrophobicContact CB-CD1 4.32Å; L58-V60 VanDerWaalsContact C-N 3.35Å; L58-V60 WeakPolarHBondContact CD2-O 3.34Å; L58-L62 HydrophobicContact CD2-CD1 4.42Å; L58-K65 HydrophobicContact CD2-CD 3.89Å; L58-K65 HydrophobicContact CG-CD 4.41Å
59E73.3Confident79.6Confident183 Ų18367.5 Ų67.586%0.85534%0.34SS*.SBendtrans-75.6-28175.9-64.8-176.6168.500112.3
60V80.1Confident80Confident77 Ų7770.1 Ų70.147%0.46735%0.351SS..SBendtrans-98.3149.5179.6-173.80000110L58 E64 K65L58-V60 VanDerWaalsContact C-N 3.35Å; L58-V60 WeakPolarHBondContact CD2-O 3.34Å; V60-E64 HydrophobicContact CG1-CB 4.3Å; V60-K65 HydrophobicContact CG1-CB 4.31Å
61S83.3Confident80.6Confident10 Ų1068.9 Ų68.97%0.0734%0.344CS..  trans-61149.7173.975.70000112.1E64 K65 K152 G155S61-E64 WeakPolarHBondContact OG-CB 3.38Å; S61-E64 WeakPolarHBondContact OG-CG 3.44Å; S61-E64 PolarHBondContact OG-OE2 3.37Å; S61-K65 WeakPolarHBondContact O-CB 3.42Å; S61-K65 PolarHBondContact O-N 2.83Å; S61-K152 CarbonylContact C-O 3.58Å; S61-K152 WeakPolarHBondContact CA-O 3.39Å; S61-K152 WeakPolarHBondContact CB-O 3.45Å; S61-G155 WeakPolarHBondContact OG-CA 3.43Å
62L86.1Confident81.3Confident4 Ų464.6 Ų64.62%0.02133%0.329CS..Hα-helixtrans-61.5-52.5-171.9-17573.1000111.7L49 L58 K65 Y66 V96 F123 K152 V153L49-L62 HydrophobicContact CD1-CB 3.94Å; L58-L62 HydrophobicContact CD2-CD1 4.42Å; L62-K65 PolarHBondContact O-N 3.37Å; L62-Y66 HydrophobicContact CD1-CD2 4.21Å; L62-Y66 HydrophobicContact CD1-CE2 4.22Å; L62-Y66 WeakPolarHBondContact O-CD2 3.1Å; L62-Y66 PolarHBondContact O-N 3.32Å; L62-V96 HydrophobicContact CD1-CG1 3.92Å; L62-F123 HydrophobicContact CD2-CB 3.8Å; L62-F123 HydrophobicContact CD2-CD1 3.45Å; L62-F123 VanDerWaalsContact CD2-CD1 3.45Å; L62-F123 HydrophobicContact CD2-CD2 3.97Å; L62-F123 HydrophobicContact CD2-CE1 3.97Å; L62-F123 HydrophobicContact CD2-CE2 4.43Å; L62-F123 HydrophobicContact CD2-CG 3.46Å; L62-F123 VanDerWaalsContact CD2-CG 3.46Å; L62-F123 HydrophobicContact CD2-CZ 4.44Å; L62-K152 PolarHBondContact N-O 2.81Å; L62-V153 PolarHBondContact N-O 2.99Å
63L87Confident82.8Confident6 Ų659.5 Ų59.53%0.03131%0.309CS..Hα-helixtrans-83.5-10.5-172.8-59.1-179.8000113.7C68 F71 F133 V153 F154 R159 M162L63-C68 HydrophobicContact CD2-CB 3.89Å; L63-F71 HydrophobicContact CD1-CD1 3.68Å; L63-F71 HydrophobicContact CD1-CE1 3.9Å; L63-F71 HydrophobicContact CD1-CG 4.31Å; L63-F133 HydrophobicContact CD2-CD1 4.48Å; L63-F133 HydrophobicContact CD2-CG 4.33Å; L63-V153 WeakPolarHBondContact CB-O 3.28Å; L63-V153 HydrophobicContact CD1-CG1 4.24Å; L63-V153 HydrophobicContact CG-CG1 4.4Å; L63-V153 VanDerWaalsContact CG-O 3.23Å; L63-V153 WeakPolarHBondContact CG-O 3.35Å; L63-V153 PolarHBondContact N-O 3.14Å; L63-F154 HydrophobicContact CD1-CD1 3.76Å; L63-F154 HydrophobicContact CD1-CE1 3.97Å; L63-F154 HydrophobicContact CD1-CG 4.26Å; L63-R159 PolarHBondContact O-NE 2.76Å; L63-M162 HydrophobicContact CD1-CE 4.1Å; L63-M162 HydrophobicContact CD1-SD 3.89Å
64E85.5Confident84.5Confident67 Ų6751.9 Ų51.931%0.31327%0.274SS..Hα-helixtrans-77.2-41.5165.2-70.5170164.200110.5V60 S61 Y66 G155 S156 C157 R159V60-E64 HydrophobicContact CG1-CB 4.3Å; S61-E64 WeakPolarHBondContact OG-CB 3.38Å; S61-E64 WeakPolarHBondContact OG-CG 3.44Å; S61-E64 PolarHBondContact OG-OE2 3.37Å; E64-Y66 PolarHBondContact O-N 3.4Å; E64-G155 WeakPolarHBondContact OE1-CA 3.39Å; E64-S156 PolarHBondContact OE1-N 2.92Å; E64-C157 PolarHBondContact OE1-N 3.49Å; E64-R159 PolarHBondContact O-NH2 3.37Å
65K85.6Confident86Confident94 Ų9449 Ų4941%0.40926%0.256SS..Hα-helixtrans-65-38-179.5-175.7175.2-179.4175.10113.2L58 V60 S61 L62L58-K65 HydrophobicContact CD2-CD 3.89Å; L58-K65 HydrophobicContact CG-CD 4.41Å; V60-K65 HydrophobicContact CG1-CB 4.31Å; S61-K65 WeakPolarHBondContact O-CB 3.42Å; S61-K65 PolarHBondContact O-N 2.83Å; L62-K65 PolarHBondContact O-N 3.37Å
66Y85.6Confident87.2Confident46 Ų4642.4 Ų42.418%0.1823%0.234CC..SBendtrans-111144.1-176.2-64.4-82.6000112.1L62 E64 C68 V96 F133L62-Y66 HydrophobicContact CD1-CD2 4.21Å; L62-Y66 HydrophobicContact CD1-CE2 4.22Å; L62-Y66 WeakPolarHBondContact O-CD2 3.1Å; L62-Y66 PolarHBondContact O-N 3.32Å; E64-Y66 PolarHBondContact O-N 3.4Å; Y66-C68 PolarHBondContact O-N 3.47Å; Y66-V96 HydrophobicContact CD2-CG1 4.12Å; Y66-V96 HydrophobicContact CE1-CG1 4.37Å; Y66-V96 HydrophobicContact CE2-CG1 3.37Å; Y66-F133 HydrophobicContact CD1-CZ 4.25Å; Y66-F133 HydrophobicContact CD2-CE1 4.45Å; Y66-F133 HydrophobicContact CD2-CZ 4.13Å; Y66-F133 HydrophobicContact CG-CE1 4.41Å; Y66-F133 AromaticContact CG-CZ 3.67Å; Y66-F133 HydrophobicContact CG-CZ 3.67Å
67P85.6Confident88Confident70 Ų7042.9 Ų42.946%0.45523%0.234SC..  trans-63.1130.3168.628.4-32.5000108.9S131P67-S131 WeakPolarHBondContact O-CA 3.2Å
68C91.3Very high88.8Confident10 Ų1039.5 Ų39.57%0.06821%0.21CC..  trans-135.3124.8177.5-169.30000110.4L63 Y66 K70 S131 F133 M162L63-C68 HydrophobicContact CD2-CB 3.89Å; Y66-C68 PolarHBondContact O-N 3.47Å; C68-K70 PolarHBondContact SG-O 2.95Å; C68-S131 CarbonylContact C-O 3.57Å; C68-S131 WeakPolarHBondContact CA-O 3.28Å; C68-F133 HydrophobicContact CB-CD2 4.2Å; C68-M162 HydrophobicContact CB-SD 3.97Å
69S93.3Very high89.8Confident44 Ų4438.4 Ų38.431%0.30820%0.204SC..SBendtrans-110.3-31.6173.967.90000112S131 M162 Q163S69-S131 PolarHBondContact N-O 3.36Å; S69-S131 PolarHBondContact OG-O 2.82Å; S69-S131 PolarHBondContact OG-OG 3.05Å; S69-M162 CarbonylContact O-C 3.56Å; S69-M162 WeakPolarHBondContact O-CA 3.49Å; S69-Q163 PolarHBondContact O-N 2.79Å
70K94.3Very high90.7Very high61 Ų6130.5 Ų30.527%0.26517%0.169SC..EExtended strand (participates in β ladder)trans-133.8128.5176.1-65.3-175-178.3-176.30109.5C68 S131 V132 F133 Q163 R257C68-K70 PolarHBondContact SG-O 2.95Å; K70-S131 PolarHBondContact N-O 2.96Å; K70-V132 HydrophobicContact CB-CG1 4.33Å; K70-V132 HydrophobicContact CB-CG2 4.41Å; K70-V132 WeakPolarHBondContact O-CA 3.36Å; K70-F133 PolarHBondContact O-N 3.47Å; K70-Q163 WeakPolarHBondContact CA-O 3.32Å; K70-R257 PolarHBondContact NZ-O 2.94Å; K70-R257 VanDerWaalsContact NZ-O 3.13Å
71F96Very high91.3Very high0 Ų027.3 Ų27.30%015%0.15CC..EExtended strand (participates in β ladder)trans-127.7119.4173.4-174.1-145.6000110.2L63 I73 F123 F133 C135 V153 F154 M162 Q163 I164 T165L63-F71 HydrophobicContact CD1-CD1 3.68Å; L63-F71 HydrophobicContact CD1-CE1 3.9Å; L63-F71 HydrophobicContact CD1-CG 4.31Å; F71-I73 HydrophobicContact CD1-CD1 3.88Å; F71-I73 HydrophobicContact CD1-CG1 3.95Å; F71-I73 HydrophobicContact CD2-CG1 4.47Å; F71-I73 HydrophobicContact CE1-CD1 3.63Å; F71-I73 HydrophobicContact CE1-CG1 3.75Å; F71-I73 HydrophobicContact CE2-CG1 4.31Å; F71-I73 HydrophobicContact CG-CG1 4.32Å; F71-I73 HydrophobicContact CZ-CD1 4.27Å; F71-I73 HydrophobicContact CZ-CG1 3.96Å; F71-F123 HydrophobicContact CE2-CD1 4.41Å; F71-F123 HydrophobicContact CZ-CD1 4.18Å; F71-F123 HydrophobicContact CZ-CE1 4.12Å; F71-F133 WeakPolarHBondContact CA-O 3.48Å; F71-F133 HydrophobicContact CD2-CB 3.42Å; F71-F133 VanDerWaalsContact CD2-CB 3.42Å; F71-F133 HydrophobicContact CE2-CB 3.94Å; F71-F133 HydrophobicContact CG-CB 4.32Å; F71-C135 HydrophobicContact CE2-CB 3.66Å; F71-C135 HydrophobicContact CZ-CB 3.64Å; F71-V153 HydrophobicContact CE1-CG1 3.67Å; F71-V153 HydrophobicContact CZ-CG1 3.88Å; F71-F154 HydrophobicContact CD1-CE1 4.17Å; F71-F154 AromaticContact CD1-CZ 3.98Å; F71-F154 HydrophobicContact CD1-CZ 3.98Å; F71-F154 HydrophobicContact CE1-CE2 4.4Å; F71-F154 HydrophobicContact CE1-CZ 4.01Å; F71-M162 HydrophobicContact CB-SD 4.2Å; F71-Q163 PolarHBondContact N-O 3.38Å; F71-I164 HydrophobicContact CB-CD1 3.63Å; F71-I164 HydrophobicContact CD1-CD1 4.04Å; F71-I164 HydrophobicContact CG-CD1 4.34Å; F71-I164 WeakPolarHBondContact O-CA 3.25Å; F71-T165 PolarHBondContact O-N 3.28Å
72I97.1Very high91.8Very high2 Ų226.8 Ų26.81%0.0115%0.147CC..EExtended strand (participates in β ladder)trans-111.5126.1-177.3-60.2161.1000108.1L83 F133 L134 C135 T165 L259 L262I72-L83 HydrophobicContact CG2-CD1 3.89Å; I72-L83 HydrophobicContact CG2-CD2 4.14Å; I72-F133 PolarHBondContact N-O 3.49Å; I72-L134 HydrophobicContact CB-CD2 3.52Å; I72-L134 HydrophobicContact CD1-CD2 4.06Å; I72-L134 HydrophobicContact CG1-CD2 4.38Å; I72-L134 HydrophobicContact CG2-CD2 3.72Å; I72-L134 CarbonylContact O-C 3.6Å; I72-L134 VanDerWaalsContact O-CA 3.27Å; I72-L134 WeakPolarHBondContact O-CA 3.45Å; I72-C135 PolarHBondContact O-N 3.5Å; I72-T165 CarbonylContact C-O 3.56Å; I72-T165 VanDerWaalsContact CA-O 3.28Å; I72-T165 WeakPolarHBondContact CA-O 3.46Å; I72-L259 HydrophobicContact CD1-CD1 4.36Å; I72-L259 HydrophobicContact CD1-CG 4.37Å; I72-L262 HydrophobicContact CD1-CD1 3.57Å
73I97.7Very high92.1Very high0 Ų026.6 Ų26.60%015%0.146CC..EExtended strand (participates in β ladder)trans-120.7117.7-173.7-50.8172.1000108.1F71 I75 C135 W149 F154 I164 T165 I166 L167 V219F71-I73 HydrophobicContact CD1-CD1 3.88Å; F71-I73 HydrophobicContact CD1-CG1 3.95Å; F71-I73 HydrophobicContact CD2-CG1 4.47Å; F71-I73 HydrophobicContact CE1-CD1 3.63Å; F71-I73 HydrophobicContact CE1-CG1 3.75Å; F71-I73 HydrophobicContact CE2-CG1 4.31Å; F71-I73 HydrophobicContact CG-CG1 4.32Å; F71-I73 HydrophobicContact CZ-CD1 4.27Å; F71-I73 HydrophobicContact CZ-CG1 3.96Å; I73-I75 HydrophobicContact CG2-CD1 3.98Å; I73-I75 HydrophobicContact CG2-CG1 3.75Å; I73-C135 HydrophobicContact CB-CB 4.32Å; I73-C135 HydrophobicContact CG1-CB 4.17Å; I73-C135 HydrophobicContact CG2-CB 4Å; I73-W149 HydrophobicContact CD1-CH2 4.47Å; I73-F154 HydrophobicContact CD1-CZ 4.29Å; I73-I164 HydrophobicContact CD1-CG2 4.17Å; I73-T165 PolarHBondContact N-O 3.47Å; I73-I166 CarbonylContact O-C 3.48Å; I73-I166 WeakPolarHBondContact O-CA 3.43Å; I73-L167 PolarHBondContact O-N 2.95Å; I73-V219 HydrophobicContact CD1-CG1 3.86Å; I73-V219 HydrophobicContact CD1-CG2 4.34Å
74A97.1Very high92.3Very high0 Ų028 Ų280%016%0.156CC..EExtended strand (participates in β ladder)trans-99.9127.2167.200000110.4A79 V80 L83 C135 C137 L167A74-A79 HydrophobicContact CB-CB 3.9Å; A74-A79 WeakPolarHBondContact CB-O 3.49Å; A74-V80 HydrophobicContact CB-CG2 3.95Å; A74-L83 HydrophobicContact CB-CD1 3.34Å; A74-L83 HydrophobicContact CB-CG 3.92Å; A74-C135 PolarHBondContact N-O 3.45Å; A74-C137 PolarHBondContact O-N 2.78Å; A74-L167 WeakPolarHBondContact CA-O 2.85Å
75I95.6Very high92.6Very high16 Ų1624.9 Ų24.98%0.08214%0.141CC..EExtended strand (participates in β ladder)trans-122118.1-178.7-55.2171.1000108.4I73 C137 I166 L167 T168 L215 P216I73-I75 HydrophobicContact CG2-CD1 3.98Å; I73-I75 HydrophobicContact CG2-CG1 3.75Å; I75-C137 WeakPolarHBondContact CA-O 3.35Å; I75-C137 HydrophobicContact CG1-CB 4.26Å; I75-I166 HydrophobicContact CD1-CG2 3.93Å; I75-L167 PolarHBondContact N-O 3.3Å; I75-T168 WeakPolarHBondContact O-CA 3.03Å; I75-T168 WeakPolarHBondContact O-CB 3.43Å; I75-T168 PolarHBondContact O-OG1 3.1Å; I75-L215 HydrophobicContact CD1-CB 4.2Å; I75-L215 HydrophobicContact CD1-CD2 3.81Å; I75-L215 HydrophobicContact CD1-CG 3.87Å; I75-L215 HydrophobicContact CG1-CD2 4.26Å; I75-P216 HydrophobicContact CB-CG 4.43Å; I75-P216 HydrophobicContact CD1-CB 4.21Å; I75-P216 HydrophobicContact CD1-CG 3.67Å; I75-P216 HydrophobicContact CG2-CG 4.33Å
76G91.6Very high92.8Very high27 Ų2720.4 Ų20.428%0.27812%0.122SC..SBendtrans96158.1-176.400000113.7N78 A79 V80 C137G76-N78 PolarHBondContact O-N 3.45Å; G76-A79 PolarHBondContact O-N 2.82Å; G76-V80 WeakPolarHBondContact O-CB 3.45Å; G76-V80 VanDerWaalsContact O-CG2 3.3Å; G76-V80 WeakPolarHBondContact O-CG2 3.35Å; G76-V80 PolarHBondContact O-N 2.91Å; G76-C137 PolarHBondContact N-O 2.88Å
77N90.6Very high93Very high86 Ų8618.3 Ų18.346%0.4611%0.114SC..Hα-helixtrans-60-45-168.9-66.4-21.1000113.5V80 A81 L242N77-V80 PolarHBondContact O-N 3.33Å; N77-A81 VanDerWaalsContact O-CB 3.28Å; N77-A81 WeakPolarHBondContact O-CB 3.44Å; N77-A81 PolarHBondContact O-N 3.43Å; N77-L242 HydrophobicContact CB-CB 4.35Å; N77-L242 HydrophobicContact CB-CD1 4.4Å
78N93.4Very high93.1Very high3 Ų316.5 Ų16.52%0.01610%0.1CC..Hα-helixtrans-62.8-46.4179.1-77.9-43.8000112.2G76 V80 A81 F82 C169 K241 L242 D243 T246 V247G76-N78 PolarHBondContact O-N 3.45Å; N78-V80 PolarHBondContact O-N 2.75Å; N78-A81 PolarHBondContact O-N 3.36Å; N78-F82 WeakPolarHBondContact O-CB 3.32Å; N78-F82 PolarHBondContact O-N 2.9Å; N78-C169 WeakPolarHBondContact CB-SG 3.32Å; N78-K241 PolarHBondContact ND2-O 2.77Å; N78-L242 WeakPolarHBondContact OD1-CA 3.34Å; N78-L242 WeakPolarHBondContact OD1-CD1 3.48Å; N78-D243 PolarHBondContact OD1-N 3.34Å; N78-D243 PolarHBondContact OD1-O 2.87Å; N78-T246 HydrophobicContact CB-CG2 3.97Å; N78-V247 HydrophobicContact CB-CG2 4.16Å; N78-V247 WeakPolarHBondContact OD1-CG2 3.34Å
79A95.2Very high92.5Very high0 Ų018.8 Ų18.80%011%0.111CC..Hα-helixtrans-66.1-38.3177.300000112.3A74 G76 F82 L83 L167 F250A74-A79 HydrophobicContact CB-CB 3.9Å; A74-A79 WeakPolarHBondContact CB-O 3.49Å; G76-A79 PolarHBondContact O-N 2.82Å; A79-F82 WeakPolarHBondContact O-CB 3.45Å; A79-F82 PolarHBondContact O-N 3.34Å; A79-L83 PolarHBondContact O-N 2.93Å; A79-L83 VanDerWaalsContact O-N 3.13Å; A79-L167 HydrophobicContact CB-CB 3.97Å; A79-L167 WeakPolarHBondContact CB-O 3.12Å; A79-F250 HydrophobicContact CB-CZ 4.26Å
80V93.3Very high91.5Very high18 Ų1818.8 Ų18.811%0.10911%0.111CC..Hα-helixtrans-65.8-46.4176.3168.50000110.5A74 G76 N77 N78 F82 L83 S84 Q136A74-V80 HydrophobicContact CB-CG2 3.95Å; G76-V80 WeakPolarHBondContact O-CB 3.45Å; G76-V80 VanDerWaalsContact O-CG2 3.3Å; G76-V80 WeakPolarHBondContact O-CG2 3.35Å; G76-V80 PolarHBondContact O-N 2.91Å; N77-V80 PolarHBondContact O-N 3.33Å; N78-V80 PolarHBondContact O-N 2.75Å; V80-F82 VanDerWaalsContact C-N 3.32Å; V80-F82 PolarHBondContact O-N 2.86Å; V80-L83 PolarHBondContact O-N 2.95Å; V80-S84 WeakPolarHBondContact O-CB 3.33Å; V80-S84 PolarHBondContact O-N 2.99Å; V80-S84 PolarHBondContact O-OG 2.88Å; V80-S84 VanDerWaalsContact O-OG 3.1Å; V80-Q136 HydrophobicContact CG1-CB 4.11Å; V80-Q136 HydrophobicContact CG1-CG 4.24Å; V80-Q136 HydrophobicContact CG2-CB 4.13Å
81A92.3Very high90.3Very high9 Ų918.5 Ų18.57%0.07413%0.125CC..Hα-helixtrans-59.7-41.8176.200000111.8N77 N78 L83 S84 S85 L242 V247 L273N77-A81 VanDerWaalsContact O-CB 3.28Å; N77-A81 WeakPolarHBondContact O-CB 3.44Å; N77-A81 PolarHBondContact O-N 3.43Å; N78-A81 PolarHBondContact O-N 3.36Å; A81-L83 PolarHBondContact O-N 3.44Å; A81-S84 PolarHBondContact O-N 3.13Å; A81-S85 WeakPolarHBondContact O-CB 3.32Å; A81-S85 PolarHBondContact O-N 2.95Å; A81-S85 PolarHBondContact O-OG 3.05Å; A81-L242 HydrophobicContact CB-CD1 3.51Å; A81-V247 HydrophobicContact CB-CG2 4.04Å; A81-L273 HydrophobicContact CB-CD1 4.39Å
82F94.3Very high89.8Confident0 Ų020.2 Ų20.20%014%0.136CC..Hα-helixtrans-55.5-52.7173.2176.5-106.7000112.2N78 A79 V80 S84 S85 F86 L167 V247 F250 L254 L259N78-F82 WeakPolarHBondContact O-CB 3.32Å; N78-F82 PolarHBondContact O-N 2.9Å; A79-F82 WeakPolarHBondContact O-CB 3.45Å; A79-F82 PolarHBondContact O-N 3.34Å; V80-F82 VanDerWaalsContact C-N 3.32Å; V80-F82 PolarHBondContact O-N 2.86Å; F82-S84 PolarHBondContact O-N 2.79Å; F82-S85 PolarHBondContact O-N 2.81Å; F82-F86 AromaticContact CD2-CD2 3.43Å; F82-F86 HydrophobicContact CD2-CD2 3.43Å; F82-F86 VanDerWaalsContact CD2-CD2 3.43Å; F82-F86 AromaticContact CD2-CE2 3.84Å; F82-F86 HydrophobicContact CD2-CE2 3.84Å; F82-F86 HydrophobicContact CD2-CG 4.32Å; F82-F86 HydrophobicContact CE2-CB 4.46Å; F82-F86 AromaticContact CE2-CD2 3.68Å; F82-F86 HydrophobicContact CE2-CD2 3.68Å; F82-F86 HydrophobicContact CE2-CE2 4.15Å; F82-F86 HydrophobicContact CE2-CG 4.17Å; F82-F86 HydrophobicContact CG-CD2 4.29Å; F82-F86 WeakPolarHBondContact O-CB 3.48Å; F82-F86 WeakPolarHBondContact O-CD2 3.35Å; F82-F86 PolarHBondContact O-N 2.81Å; F82-L167 HydrophobicContact CD1-CD1 3.86Å; F82-L167 HydrophobicContact CE1-CD1 4.03Å; F82-V247 HydrophobicContact CB-CG1 3.9Å; F82-V247 HydrophobicContact CD2-CG1 4.29Å; F82-F250 HydrophobicContact CB-CB 4.38Å; F82-F250 HydrophobicContact CB-CD2 4.39Å; F82-F250 HydrophobicContact CD1-CB 3.8Å; F82-F250 HydrophobicContact CD1-CG 4.37Å; F82-F250 HydrophobicContact CD2-CB 3.49Å; F82-F250 VanDerWaalsContact CD2-CB 3.49Å; F82-F250 HydrophobicContact CD2-CG 4.49Å; F82-F250 HydrophobicContact CE1-CB 3.83Å; F82-F250 HydrophobicContact CE2-CB 3.53Å; F82-F250 HydrophobicContact CG-CB 3.61Å; F82-F250 HydrophobicContact CG-CD2 4.49Å; F82-F250 HydrophobicContact CG-CG 4.23Å; F82-F250 HydrophobicContact CZ-CB 3.67Å; F82-F250 VanDerWaalsContact CZ-O 3.25Å; F82-F250 WeakPolarHBondContact CZ-O 3.45Å; F82-L254 HydrophobicContact CE1-CD2 4.16Å; F82-L254 HydrophobicContact CE2-CD1 4.38Å; F82-L254 HydrophobicContact CE2-CD2 3.96Å; F82-L254 HydrophobicContact CE2-CG 4.12Å; F82-L254 HydrophobicContact CZ-CD1 4.47Å; F82-L254 HydrophobicContact CZ-CD2 3.39Å; F82-L254 HydrophobicContact CZ-CG 3.73Å; F82-L259 HydrophobicContact CE1-CD2 4.16Å
83L92.7Very high89.5Confident0 Ų021.2 Ų21.20%014%0.14CC..Hα-helixtrans-64.7-41.2178.5-71.6-172.6000112.2I72 A74 A79 V80 A81 S85 V87 M88 L134 L167 L259I72-L83 HydrophobicContact CG2-CD1 3.89Å; I72-L83 HydrophobicContact CG2-CD2 4.14Å; A74-L83 HydrophobicContact CB-CD1 3.34Å; A74-L83 HydrophobicContact CB-CG 3.92Å; A79-L83 PolarHBondContact O-N 2.93Å; A79-L83 VanDerWaalsContact O-N 3.13Å; V80-L83 PolarHBondContact O-N 2.95Å; A81-L83 PolarHBondContact O-N 3.44Å; L83-S85 VanDerWaalsContact C-N 3.35Å; L83-S85 PolarHBondContact O-N 2.95Å; L83-V87 HydrophobicContact CD2-CB 4.28Å; L83-V87 HydrophobicContact CD2-CG2 3.73Å; L83-V87 CarbonylContact O-C 3.6Å; L83-V87 WeakPolarHBondContact O-CA 3.4Å; L83-V87 WeakPolarHBondContact O-CB 3.27Å; L83-V87 PolarHBondContact O-N 2.8Å; L83-M88 PolarHBondContact O-N 2.97Å; L83-L134 HydrophobicContact CD1-CD2 3.95Å; L83-L167 HydrophobicContact CD1-CD1 4.36Å; L83-L167 HydrophobicContact CD2-CD1 3.73Å; L83-L167 HydrophobicContact CG-CD1 3.97Å; L83-L259 HydrophobicContact CD2-CD2 4.16Å
84S91.1Very high89.1Confident36 Ų3625.1 Ų25.125%0.25216%0.158SC..Hα-helixtrans-56.5-48.9177.1-70.70000111.6V80 A81 F82 N89 Q136V80-S84 WeakPolarHBondContact O-CB 3.33Å; V80-S84 PolarHBondContact O-N 2.99Å; V80-S84 PolarHBondContact O-OG 2.88Å; V80-S84 VanDerWaalsContact O-OG 3.1Å; A81-S84 PolarHBondContact O-N 3.13Å; F82-S84 PolarHBondContact O-N 2.79Å; S84-N89 PolarHBondContact O-N 2.85Å; S84-Q136 PolarHBondContact OG-NE2 2.9Å
85S90.8Very high88.7Confident0 Ų027.6 Ų27.60%017%0.17CC..Hα-helixtrans-75.5-44.6-175.7-63.20000113.6A81 F82 L83 N89 S269 L273 L276A81-S85 WeakPolarHBondContact O-CB 3.32Å; A81-S85 PolarHBondContact O-N 2.95Å; A81-S85 PolarHBondContact O-OG 3.05Å; F82-S85 PolarHBondContact O-N 2.81Å; L83-S85 VanDerWaalsContact C-N 3.35Å; L83-S85 PolarHBondContact O-N 2.95Å; S85-N89 WeakPolarHBondContact O-CB 3.15Å; S85-S269 VanDerWaalsContact O-CB 3.25Å; S85-S269 WeakPolarHBondContact O-CB 3.04Å; S85-S269 PolarHBondContact O-OG 3.32Å; S85-L273 WeakPolarHBondContact OG-CA 3.44Å; S85-L273 WeakPolarHBondContact OG-CB 3.06Å; S85-L276 WeakPolarHBondContact OG-CD1 3.41Å
86F90.1Very high88.4Confident1 Ų127.3 Ų27.30%0.00417%0.168CC..Hα-helixtrans-98.7-19.4-169.8-67.2-82.3000114.6F82 V247 K251 L254 I266 T270 L273F82-F86 AromaticContact CD2-CD2 3.43Å; F82-F86 HydrophobicContact CD2-CD2 3.43Å; F82-F86 VanDerWaalsContact CD2-CD2 3.43Å; F82-F86 AromaticContact CD2-CE2 3.84Å; F82-F86 HydrophobicContact CD2-CE2 3.84Å; F82-F86 HydrophobicContact CD2-CG 4.32Å; F82-F86 HydrophobicContact CE2-CB 4.46Å; F82-F86 AromaticContact CE2-CD2 3.68Å; F82-F86 HydrophobicContact CE2-CD2 3.68Å; F82-F86 HydrophobicContact CE2-CE2 4.15Å; F82-F86 HydrophobicContact CE2-CG 4.17Å; F82-F86 HydrophobicContact CG-CD2 4.29Å; F82-F86 WeakPolarHBondContact O-CB 3.48Å; F82-F86 WeakPolarHBondContact O-CD2 3.35Å; F82-F86 PolarHBondContact O-N 2.81Å; F86-V247 HydrophobicContact CE2-CG1 4.36Å; F86-K251 HydrophobicContact CZ-CG 4.43Å; F86-L254 HydrophobicContact CB-CD1 4.35Å; F86-L254 HydrophobicContact CB-CD2 3.7Å; F86-L254 HydrophobicContact CD1-CD1 3.79Å; F86-L254 HydrophobicContact CE1-CD1 4.35Å; F86-L254 HydrophobicContact CG-CD1 4.14Å; F86-L254 HydrophobicContact CG-CD2 4.29Å; F86-I266 HydrophobicContact CE1-CG2 4.39Å; F86-T270 HydrophobicContact CE1-CG2 4.1Å; F86-T270 HydrophobicContact CZ-CG2 4.14Å; F86-L273 HydrophobicContact CE2-CD2 3.94Å; F86-L273 HydrophobicContact CZ-CD2 4.28Å
87V89.8Confident88.2Confident2 Ų226.2 Ų26.21%0.01216%0.157CC..THydrogen-bonded Turntrans-117.6-42.9-175-175.70000111.8L83 W93 L134 L259 L262L83-V87 HydrophobicContact CD2-CB 4.28Å; L83-V87 HydrophobicContact CD2-CG2 3.73Å; L83-V87 CarbonylContact O-C 3.6Å; L83-V87 WeakPolarHBondContact O-CA 3.4Å; L83-V87 WeakPolarHBondContact O-CB 3.27Å; L83-V87 PolarHBondContact O-N 2.8Å; V87-W93 HydrophobicContact CG1-CZ2 3.7Å; V87-W93 PolarHBondContact O-NE1 2.94Å; V87-L134 HydrophobicContact CG1-CD1 4.1Å; V87-L259 HydrophobicContact CG2-CD2 3.78Å; V87-L262 HydrophobicContact CG1-CB 3.9Å; V87-L262 HydrophobicContact CG1-CD1 4.31Å
88M87.9Confident88.1Confident32 Ų3222.5 Ų22.516%0.15814%0.138CC..SBendtrans-89.8-9.1-173-64.5-175.865.100115.7L83 S90 W93 Y124 L134 Q136L83-M88 PolarHBondContact O-N 2.97Å; M88-S90 PolarHBondContact O-N 3.44Å; M88-W93 VanDerWaalsContact CA-CD1 3.49Å; M88-W93 HydrophobicContact CE-CB 4.11Å; M88-W93 HydrophobicContact CE-CG 4.37Å; M88-W93 HydrophobicContact CG-CD2 4.43Å; M88-W93 HydrophobicContact CG-CG 4.18Å; M88-Y124 HydrophobicContact CE-CD1 3.66Å; M88-Y124 HydrophobicContact CE-CD2 3.71Å; M88-Y124 HydrophobicContact CE-CE1 3.91Å; M88-Y124 HydrophobicContact CE-CE2 3.97Å; M88-Y124 HydrophobicContact CE-CG 3.57Å; M88-Y124 HydrophobicContact SD-CD2 4.39Å; M88-L134 HydrophobicContact CG-CD1 3.51Å; M88-L134 HydrophobicContact SD-CD1 3.79Å; M88-Q136 HydrophobicContact SD-CG 4.21Å; M88-Q136 PolarHBondContact SD-NE2 3.24Å
89N79.1Confident87.8Confident57 Ų5722.4 Ų22.431%0.30514%0.137SC..THydrogen-bonded Turntrans-53-27.4-176.4178.417.5000115.2S84 S85 G91 I272S84-N89 PolarHBondContact O-N 2.85Å; S85-N89 WeakPolarHBondContact O-CB 3.15Å; N89-G91 VanDerWaalsContact C-N 3.34Å; N89-G91 PolarHBondContact O-N 3.03Å; N89-I272 HydrophobicContact CB-CD1 4.15Å; N89-I272 WeakPolarHBondContact ND2-CD1 3.36Å; N89-I272 WeakPolarHBondContact OD1-CD1 3.14Å
90S71.5Confident87.3Confident44 Ų4425.9 Ų25.931%0.30815%0.152SC..THydrogen-bonded Turntrans-83.18.2-169.755.10000116.7M88 V92M88-S90 PolarHBondContact O-N 3.44Å; S90-V92 WeakPolarHBondContact O-CG1 3.25Å; S90-V92 PolarHBondContact O-N 3.07Å; S90-V92 WeakPolarHBondContact OG-CG2 3.26Å
91G69.3Low86.8Confident55 Ų5525.5 Ų25.557%0.56715%0.15SC*.SBendtrans65.42.5176.700000115.7N89 W93 K127N89-G91 VanDerWaalsContact C-N 3.34Å; N89-G91 PolarHBondContact O-N 3.03Å; G91-W93 VanDerWaalsContact C-N 3.26Å; G91-W93 PolarHBondContact O-N 2.94Å; G91-K127 PolarHBondContact O-NZ 2.86Å
92V86.5Confident86.1Confident37 Ų3729.9 Ų29.922%0.22417%0.165CC..  trans-82.60-179.7-640000113.4S90 L126 K127S90-V92 WeakPolarHBondContact O-CG1 3.25Å; S90-V92 PolarHBondContact O-N 3.07Å; S90-V92 WeakPolarHBondContact OG-CG2 3.26Å; V92-L126 HydrophobicContact CB-CD1 3.89Å; V92-L126 HydrophobicContact CG2-CD1 3.38Å; V92-K127 VanDerWaalsContact O-CB 3.28Å; V92-K127 WeakPolarHBondContact O-CB 3.2Å; V92-K127 VanDerWaalsContact O-CG 3.24Å; V92-K127 WeakPolarHBondContact O-CG 3.36Å; V92-K127 PolarHBondContact O-N 2.78Å
93W89.8Confident84.9Confident23 Ų2330.6 Ų30.69%0.08717%0.168CC..EExtended strand (participates in β ladder)trans-96.4135.9179.4-62.692.3000109.7V87 M88 G91 H125 L126 V132 L134 L262V87-W93 HydrophobicContact CG1-CZ2 3.7Å; V87-W93 PolarHBondContact O-NE1 2.94Å; M88-W93 VanDerWaalsContact CA-CD1 3.49Å; M88-W93 HydrophobicContact CE-CB 4.11Å; M88-W93 HydrophobicContact CE-CG 4.37Å; M88-W93 HydrophobicContact CG-CD2 4.43Å; M88-W93 HydrophobicContact CG-CG 4.18Å; G91-W93 VanDerWaalsContact C-N 3.26Å; G91-W93 PolarHBondContact O-N 2.94Å; W93-H125 WeakPolarHBondContact CA-O 3.25Å; W93-H125 VanDerWaalsContact CE3-C 3.5Å; W93-L126 HydrophobicContact CD2-CD1 4.2Å; W93-L126 HydrophobicContact CE3-CB 4.04Å; W93-L126 HydrophobicContact CE3-CD1 4.48Å; W93-L126 HydrophobicContact CH2-CB 3.98Å; W93-L126 HydrophobicContact CH2-CD1 4.37Å; W93-L126 HydrophobicContact CZ2-CD1 4.07Å; W93-L126 HydrophobicContact CZ3-CB 3.71Å; W93-V132 HydrophobicContact CH2-CG1 3.96Å; W93-V132 HydrophobicContact CZ3-CG1 4.36Å; W93-L134 HydrophobicContact CD2-CD1 3.65Å; W93-L134 HydrophobicContact CE3-CD1 3.53Å; W93-L134 HydrophobicContact CE3-CG 4.06Å; W93-L134 HydrophobicContact CH2-CD1 3.36Å; W93-L134 HydrophobicContact CH2-CD2 4.44Å; W93-L134 HydrophobicContact CH2-CG 3.61Å; W93-L134 HydrophobicContact CZ2-CD1 3.48Å; W93-L134 VanDerWaalsContact CZ2-CD1 3.48Å; W93-L134 HydrophobicContact CZ2-CG 4.23Å; W93-L134 HydrophobicContact CZ3-CB 4.28Å; W93-L134 HydrophobicContact CZ3-CD1 3.38Å; W93-L134 HydrophobicContact CZ3-CG 3.51Å; W93-L262 HydrophobicContact CH2-CD1 4.27Å; W93-L262 HydrophobicContact CH2-CD2 4.35Å; W93-L262 HydrophobicContact CZ2-CD1 4.41Å; W93-L262 HydrophobicContact CZ2-CD2 4.33Å
94E90.4Very high83.4Confident82 Ų8235.9 Ų35.938%0.38319%0.193SC..EExtended strand (participates in β ladder)trans-113.7135.6174.6178172.818000109.1Y124 H125 K127E94-Y124 CarbonylContact O-C 3.4Å; E94-Y124 WeakPolarHBondContact O-CA 3.41Å; E94-H125 PolarHBondContact N-O 2.9Å; E94-H125 PolarHBondContact O-CD2 3.32Å; E94-H125 PolarHBondContact O-N 3.22Å; E94-H125 IonicContact OE2-CE1 2.86Å; E94-H125 IonicContact OE2-NE2 3.52Å; E94-K127 HydrophobicContact CB-CG 3.97Å
95E88.5Confident81.5Confident52 Ų5244 Ų4424%0.24322%0.218CC..EExtended strand (participates in β ladder)trans-80.6122178.2-169.2172.317700110.3R52 Y124R52-E95 WeakPolarHBondContact CD-OE1 3.45Å; R52-E95 WeakPolarHBondContact CD-OE2 3.37Å; R52-E95 IonicContact CZ-OE1 3.83Å; R52-E95 IonicContact CZ-OE2 3.95Å; R52-E95 IonicContact NE-OE1 3.25Å; R52-E95 IonicContact NE-OE2 2.77Å; R52-E95 VanDerWaalsContact NH1-CD 3.34Å; R52-E95 IonicContact NH1-OE1 2.82Å; R52-E95 PolarHBondContact NH1-OE1 3.24Å; R52-E95 IonicContact NH1-OE2 3.76Å; R52-E95 PolarHBondContact NH1-OE2 3.45Å; E95-Y124 HydrophobicContact CB-CD1 3.73Å; E95-Y124 HydrophobicContact CB-CE1 3.59Å; E95-Y124 HydrophobicContact CG-CD1 4.04Å; E95-Y124 HydrophobicContact CG-CE1 3.64Å
96V88.4Confident79.5Confident9 Ų946.2 Ų46.26%0.05523%0.233CC..EExtended strand (participates in β ladder)trans-90-33.9-178.6-173.60000111.1L62 Y66 F123 H125 F133L62-V96 HydrophobicContact CD1-CG1 3.92Å; Y66-V96 HydrophobicContact CD2-CG1 4.12Å; Y66-V96 HydrophobicContact CE1-CG1 4.37Å; Y66-V96 HydrophobicContact CE2-CG1 3.37Å; V96-F123 PolarHBondContact N-O 3.38Å; V96-H125 HydrophobicContact CG2-CB 4.05Å; V96-H125 WeakPolarHBondContact CG2-CD2 3.4Å; V96-F133 HydrophobicContact CG2-CE1 3.94Å
97G87.8Confident77.4Confident4 Ų456 Ų564%0.04127%0.27CS..EExtended strand (participates in β ladder)trans167.9-171.8-177.700000112.6L50 F123L50-G97 CarbonylContact O-C 3.53Å; L50-G97 WeakPolarHBondContact O-CA 3.14Å; G97-F123 PolarHBondContact O-N 3.04Å
98C87.6Confident74.9Confident9 Ų961.2 Ų61.26%0.06130%0.302CS..EExtended strand (participates in β ladder)trans-139.9154.7175.761.20000112L49 L50 F120 C121L49-C98 CarbonylContact C-O 3.53Å; L49-C98 WeakPolarHBondContact CA-O 3.07Å; L50-C98 PolarHBondContact N-O 2.96Å; L50-C98 PolarHBondContact O-N 2.86Å; C98-F120 HydrophobicContact CB-CB 4.1Å; C98-F120 HydrophobicContact CB-CD1 4.04Å; C98-F120 HydrophobicContact CB-CG 4.29Å; C98-F120 VanDerWaalsContact SG-CD1 3.56Å; C98-C121 CarbonylContact C-O 3.53Å; C98-C121 WeakPolarHBondContact CA-O 3.49Å; C98-C121 WeakPolarHBondContact CB-O 3.17Å
99A88.1Confident72.7Confident0 Ų063.6 Ų63.60%033%0.327CS..EExtended strand (participates in β ladder)trans-91.4119.7166.700000108.4V47 R48 L49 F120 C121 F123V47-A99 HydrophobicContact CG1-CB 4.48Å; R48-A99 CarbonylContact O-C 3.59Å; R48-A99 WeakPolarHBondContact O-CA 3.14Å; L49-A99 HydrophobicContact CD2-CB 3.83Å; A99-F120 VanDerWaalsContact O-CA 3.27Å; A99-F120 WeakPolarHBondContact O-CA 3.49Å; A99-C121 HydrophobicContact CB-CB 4.01Å; A99-C121 PolarHBondContact N-O 3.45Å; A99-C121 PolarHBondContact O-N 2.79Å; A99-C121 VanDerWaalsContact O-N 3.13Å; A99-F123 HydrophobicContact CB-CE2 3.82Å; A99-F123 HydrophobicContact CB-CZ 4.12Å
100K84.4Confident70.6Confident73 Ų7368.3 Ų68.332%0.31735%0.352SS..EExtended strand (participates in β ladder)trans-82.4123.5168.8-178.8173.1178.6161.80108.8R48 L50 E118 F120R48-K100 PolarHBondContact N-O 2.99Å; R48-K100 PolarHBondContact O-N 2.92Å; L50-K100 HydrophobicContact CD1-CB 3.91Å; L50-K100 HydrophobicContact CD1-CD 4.09Å; L50-K100 HydrophobicContact CG-CB 4.41Å; K100-E118 WeakPolarHBondContact CD-OE2 3.24Å; K100-E118 VanDerWaalsContact CE-CD 3.45Å; K100-E118 WeakPolarHBondContact CE-OE1 3.33Å; K100-E118 WeakPolarHBondContact CE-OE2 3.27Å; K100-E118 IonicContact NZ-OE1 3.69Å; K100-E118 PolarHBondContact NZ-OE1 2.72Å; K100-E118 IonicContact NZ-OE2 3.04Å; K100-E118 PolarHBondContact NZ-OE2 3.47Å; K100-F120 HydrophobicContact CB-CD1 4.37Å; K100-F120 HydrophobicContact CB-CE1 4.17Å; K100-F120 HydrophobicContact CG-CE1 4.37Å
101L83.4Confident69.1Low11 Ų1172.1 Ų72.16%0.05837%0.373CS..  trans-111.3158.5179.3-64.4174.8000111V47 A119 V141V47-L101 HydrophobicContact CB-CD2 4.39Å; V47-L101 HydrophobicContact CG1-CD2 3.86Å; V47-L101 HydrophobicContact CG2-CD2 3.73Å; L101-A119 HydrophobicContact CB-CB 4.36Å; L101-A119 PolarHBondContact N-O 3.34Å; L101-A119 VanDerWaalsContact N-O 3.14Å; L101-V141 HydrophobicContact CD1-CB 4.16Å; L101-V141 HydrophobicContact CD1-CG1 4.1Å; L101-V141 HydrophobicContact CD1-CG2 3.45Å; L101-V141 VanDerWaalsContact CD1-CG2 3.45Å; L101-V141 HydrophobicContact CD2-CG1 4.15Å
102W76.4Confident67.6Low101 Ų10173.1 Ų73.138%0.38337%0.369SS..  trans-110.1101.7175.6178.7-86.1000108.1K44 R45 Q145K44-W102 HydrophobicContact CB-CD2 4.39Å; K44-W102 HydrophobicContact CB-CE3 4.41Å; K44-W102 WeakPolarHBondContact O-CB 3.28Å; R45-W102 HydrophobicContact CG-CB 4.42Å; R45-W102 HydrophobicContact CG-CG 4.14Å; W102-Q145 VanDerWaalsContact N-NE2 3.16Å; W102-Q145 VanDerWaalsContact N-OE1 3.15Å; W102-Q145 PolarHBondContact O-OE1 2.91Å
103N68.6Low65.3Low14 Ų1479.5 Ų79.58%0.07540%0.396CS..  trans-127.1116.2-176.4-58.5-21.9000109.2W105 C106 A119 Y140 Q145N103-W105 PolarHBondContact O-N 3.27Å; N103-C106 HydrophobicContact CB-CB 3.75Å; N103-C106 WeakPolarHBondContact CB-SG 3.49Å; N103-C106 PolarHBondContact ND2-SG 2.79Å; N103-C106 PolarHBondContact O-N 2.83Å; N103-A119 HydrophobicContact CB-CB 4.38Å; N103-A119 WeakPolarHBondContact ND2-CB 3.25Å; N103-Y140 PolarHBondContact ND2-O 2.93Å; N103-Y140 PolarHBondContact OD1-O 3.06Å; N103-Q145 PolarHBondContact OD1-OE1 2.66Å
104E61.6Low62.7Low112 Ų11286 Ų8652%0.52343%0.431SS..SBendtrans-63.6-37.2170.6-69.9170.5-16500110.5R45 C106 R107R45-E104 IonicContact NH2-OE1 2.84Å; E104-C106 VanDerWaalsContact C-N 3.27Å; E104-C106 PolarHBondContact O-N 3.02Å; E104-R107 VanDerWaalsContact O-CB 3.29Å; E104-R107 WeakPolarHBondContact O-CB 3.41Å; E104-R107 PolarHBondContact O-N 3.32Å
105W52.3Low60Low206 Ų20687.2 Ų87.278%0.7845%0.449SS*.G310 helixtrans-65.4-22.8176.4-88.851.1000114.8N103 R107 T108N103-W105 PolarHBondContact O-N 3.27Å; W105-R107 VanDerWaalsContact C-N 3.26Å; W105-T108 PolarHBondContact O-OG1 3.41Å; W105-T108 VanDerWaalsContact O-OG1 3.06Å
106C49.1Very low57.6Low46 Ų4687.2 Ų87.231%0.31146%0.455SS..G310 helixtrans-83-4.4174.9-64.80000112.8N103 E104 T108 A119N103-C106 HydrophobicContact CB-CB 3.75Å; N103-C106 WeakPolarHBondContact CB-SG 3.49Å; N103-C106 PolarHBondContact ND2-SG 2.79Å; N103-C106 PolarHBondContact O-N 2.83Å; E104-C106 VanDerWaalsContact C-N 3.27Å; E104-C106 PolarHBondContact O-N 3.02Å; C106-T108 VanDerWaalsContact C-N 3.33Å; C106-A119 HydrophobicContact CB-CB 3.81Å; C106-A119 VanDerWaalsContact SG-CB 3.56Å
107R45.9Very low55.2Low207 Ų20794 Ų9478%0.78150%0.497SS*.G310 helixtrans-79.3-17.9173.4-62.5178.862.4-168.8-3112.9E104 W105E104-R107 VanDerWaalsContact O-CB 3.29Å; E104-R107 WeakPolarHBondContact O-CB 3.41Å; E104-R107 PolarHBondContact O-N 3.32Å; W105-R107 VanDerWaalsContact C-N 3.26Å
108T36.7Very low53.4Low111 Ų11197.3 Ų97.368%0.68151%0.511SS*.SBendtrans-106.20.6-172.639.30000114.5W105 C106 D110W105-T108 PolarHBondContact O-OG1 3.41Å; W105-T108 VanDerWaalsContact O-OG1 3.06Å; C106-T108 VanDerWaalsContact C-N 3.33Å; T108-D110 PolarHBondContact O-N 2.86Å
109A40.4Very low52Low82 Ų8297.4 Ų97.468%0.67851%0.513SS*.SBendtrans-85.8112.6171.800000108.9
110D35Very low51.3Low157 Ų15799.5 Ų99.584%0.8452%0.522SS*.  trans-49.8136.6-177.1-71.9-49000113.4T108T108-D110 PolarHBondContact O-N 2.86Å
111T41.4Very low51.5Low123 Ų12396 Ų9676%0.75551%0.507SS*.  trans-43.3128.4169.129.70000113.8
112T38.2Very low51.9Low77 Ų7795.9 Ų95.947%0.47251%0.508SS..  177.2118113.731.60000112.2Q283T112-Q283 PolarHBondContact O-NE2 3.36Å
113H38.2Very low52.7Low170 Ų17091.1 Ų91.179%0.78749%0.49SS*.SBendtrans6762.1163.4-70.5-88.5000120
114L35Very low53.8Low159 Ų15992.1 Ų92.183%0.83249%0.493SS*.SBend-119.7129.2118-86.5101.9000107S116L114-S116 VanDerWaalsContact C-N 3.32Å; L114-S116 PolarHBondContact O-N 3.22Å
115S33.6Very low55.3Low109 Ų10988 Ų8876%0.76247%0.473SS*.SBendtrans-64.391.7179.350.70000111.1
116S36.8Very low57.2Low52 Ų5278.9 Ų78.936%0.36444%0.44SS..  trans156.4124.4143.11750000108.8L114 E118 F120L114-S116 VanDerWaalsContact C-N 3.32Å; L114-S116 PolarHBondContact O-N 3.22Å; S116-E118 PolarHBondContact O-N 2.82Å; S116-F120 WeakPolarHBondContact OG-CE2 3.18Å
117T38.7Very low59.2Low152 Ų15282.1 Ų82.193%0.93345%0.449SS*.SBendtrans-60.534.9179.2-38.80000114.6
118E50.7Low61.3Low73 Ų7377 Ų7734%0.34144%0.444SS..SBendtrans-136.3133.5-169.3-76.4-179.3-174.600109.2K100 S116 F120K100-E118 WeakPolarHBondContact CD-OE2 3.24Å; K100-E118 VanDerWaalsContact CE-CD 3.45Å; K100-E118 WeakPolarHBondContact CE-OE1 3.33Å; K100-E118 WeakPolarHBondContact CE-OE2 3.27Å; K100-E118 IonicContact NZ-OE1 3.69Å; K100-E118 PolarHBondContact NZ-OE1 2.72Å; K100-E118 IonicContact NZ-OE2 3.04Å; K100-E118 PolarHBondContact NZ-OE2 3.47Å; S116-E118 PolarHBondContact O-N 2.82Å; E118-F120 HydrophobicContact CB-CD1 4.37Å; E118-F120 HydrophobicContact CB-CD2 4.09Å; E118-F120 HydrophobicContact CB-CE1 3.64Å; E118-F120 HydrophobicContact CB-CE2 3.29Å; E118-F120 HydrophobicContact CB-CZ 3.07Å; E118-F120 HydrophobicContact CG-CZ 3.99Å; E118-F120 WeakPolarHBondContact O-CD2 3.33Å; E118-F120 WeakPolarHBondContact O-CE2 3.4Å; E118-F120 PolarHBondContact O-N 2.83Å; E118-F120 VanDerWaalsContact OE2-CE1 3.25Å; E118-F120 WeakPolarHBondContact OE2-CE1 3.19Å; E118-F120 WeakPolarHBondContact OE2-CZ 3.41Å
119A57.4Low63.9Low11 Ų1175 Ų759%0.09143%0.43CS..  trans-71.7113.4176.200000109.2L101 N103 C106 C139L101-A119 HydrophobicContact CB-CB 4.36Å; L101-A119 PolarHBondContact N-O 3.34Å; L101-A119 VanDerWaalsContact N-O 3.14Å; N103-A119 HydrophobicContact CB-CB 4.38Å; N103-A119 WeakPolarHBondContact ND2-CB 3.25Å; C106-A119 HydrophobicContact CB-CB 3.81Å; C106-A119 VanDerWaalsContact SG-CB 3.56Å; A119-C139 HydrophobicContact CB-CB 3.68Å
120F73.1Confident66.2Low44 Ų4474.1 Ų74.119%0.19342%0.417CS..EExtended strand (participates in β ladder)trans-119.8142.2-176.8-59.3-68.7000113.3C98 A99 K100 S116 E118 C139C98-F120 HydrophobicContact CB-CB 4.1Å; C98-F120 HydrophobicContact CB-CD1 4.04Å; C98-F120 HydrophobicContact CB-CG 4.29Å; C98-F120 VanDerWaalsContact SG-CD1 3.56Å; A99-F120 VanDerWaalsContact O-CA 3.27Å; A99-F120 WeakPolarHBondContact O-CA 3.49Å; K100-F120 HydrophobicContact CB-CD1 4.37Å; K100-F120 HydrophobicContact CB-CE1 4.17Å; K100-F120 HydrophobicContact CG-CE1 4.37Å; S116-F120 WeakPolarHBondContact OG-CE2 3.18Å; E118-F120 HydrophobicContact CB-CD1 4.37Å; E118-F120 HydrophobicContact CB-CD2 4.09Å; E118-F120 HydrophobicContact CB-CE1 3.64Å; E118-F120 HydrophobicContact CB-CE2 3.29Å; E118-F120 HydrophobicContact CB-CZ 3.07Å; E118-F120 HydrophobicContact CG-CZ 3.99Å; E118-F120 WeakPolarHBondContact O-CD2 3.33Å; E118-F120 WeakPolarHBondContact O-CE2 3.4Å; E118-F120 PolarHBondContact O-N 2.83Å; E118-F120 VanDerWaalsContact OE2-CE1 3.25Å; E118-F120 WeakPolarHBondContact OE2-CE1 3.19Å; E118-F120 WeakPolarHBondContact OE2-CZ 3.41Å; F120-C139 PolarHBondContact O-SG 3.22Å
121C89.2Confident69Low0 Ų067.8 Ų67.80%039%0.385CS..EExtended strand (participates in β ladder)trans-94.6116.8153.2-45.90000107.8C98 A99 F123 Q136 C137 W149C98-C121 CarbonylContact C-O 3.53Å; C98-C121 WeakPolarHBondContact CA-O 3.49Å; C98-C121 WeakPolarHBondContact CB-O 3.17Å; A99-C121 HydrophobicContact CB-CB 4.01Å; A99-C121 PolarHBondContact N-O 3.45Å; A99-C121 PolarHBondContact O-N 2.79Å; A99-C121 VanDerWaalsContact O-N 3.13Å; C121-F123 HydrophobicContact CB-CE2 4.43Å; C121-F123 HydrophobicContact CB-CZ 4.11Å; C121-Q136 CarbonylContact C-O 3.16Å; C121-Q136 WeakPolarHBondContact CA-O 3.42Å; C121-C137 HydrophobicContact CB-CB 4.36Å; C121-C137 PolarHBondContact SG-SG 3.5Å; C121-W149 HydrophobicContact CB-CZ2 4.45Å; C121-W149 PolarHBondContact SG-NE1 3.49Å
122G90.6Very high71.5Confident8 Ų862.2 Ų62.28%0.08235%0.351CS..EExtended strand (participates in β ladder)trans-85.1135.9176.500000111.6C135 Q136G122-C135 CarbonylContact O-C 3.52Å; G122-C135 VanDerWaalsContact O-CA 3.31Å; G122-C135 WeakPolarHBondContact O-CA 3.2Å; G122-Q136 PolarHBondContact N-O 2.96Å; G122-Q136 PolarHBondContact O-N 2.86Å
123F93.6Very high74.1Confident1 Ų158.5 Ų58.50%0.00433%0.328CS..EExtended strand (participates in β ladder)trans-115.3132.1178.3-57.5-75.2000111.4L49 L62 F71 V96 G97 A99 C121 L134 C135 W149 V153L49-F123 HydrophobicContact CD2-CD2 4.31Å; L49-F123 HydrophobicContact CD2-CE2 3.52Å; L49-F123 HydrophobicContact CD2-CZ 4.17Å; L62-F123 HydrophobicContact CD2-CB 3.8Å; L62-F123 HydrophobicContact CD2-CD1 3.45Å; L62-F123 VanDerWaalsContact CD2-CD1 3.45Å; L62-F123 HydrophobicContact CD2-CD2 3.97Å; L62-F123 HydrophobicContact CD2-CE1 3.97Å; L62-F123 HydrophobicContact CD2-CE2 4.43Å; L62-F123 HydrophobicContact CD2-CG 3.46Å; L62-F123 VanDerWaalsContact CD2-CG 3.46Å; L62-F123 HydrophobicContact CD2-CZ 4.44Å; F71-F123 HydrophobicContact CE2-CD1 4.41Å; F71-F123 HydrophobicContact CZ-CD1 4.18Å; F71-F123 HydrophobicContact CZ-CE1 4.12Å; V96-F123 PolarHBondContact N-O 3.38Å; G97-F123 PolarHBondContact O-N 3.04Å; A99-F123 HydrophobicContact CB-CE2 3.82Å; A99-F123 HydrophobicContact CB-CZ 4.12Å; C121-F123 HydrophobicContact CB-CE2 4.43Å; C121-F123 HydrophobicContact CB-CZ 4.11Å; F123-L134 WeakPolarHBondContact CA-O 3.5Å; F123-C135 HydrophobicContact CD1-CB 3.83Å; F123-C135 HydrophobicContact CE1-CB 3.87Å; F123-C135 VanDerWaalsContact CE1-SG 3.56Å; F123-W149 AromaticContact CE1-CZ2 3.9Å; F123-W149 HydrophobicContact CE1-CZ2 3.9Å; F123-W149 AromaticContact CZ-CZ2 3.87Å; F123-W149 HydrophobicContact CZ-CZ2 3.87Å; F123-V153 HydrophobicContact CE1-CG1 4.19Å; F123-V153 HydrophobicContact CE1-CG2 3.88Å; F123-V153 HydrophobicContact CE2-CG2 4.36Å; F123-V153 HydrophobicContact CZ-CG2 3.45Å; F123-V153 VanDerWaalsContact CZ-CG2 3.45Å
124Y92.9Very high76.8Confident34 Ų3450.4 Ų50.413%0.13329%0.291CS..EExtended strand (participates in β ladder)trans-131.6151-177.4-53-94.4000110.4M88 E94 E95 F133 L134 Q136M88-Y124 HydrophobicContact CE-CD1 3.66Å; M88-Y124 HydrophobicContact CE-CD2 3.71Å; M88-Y124 HydrophobicContact CE-CE1 3.91Å; M88-Y124 HydrophobicContact CE-CE2 3.97Å; M88-Y124 HydrophobicContact CE-CG 3.57Å; M88-Y124 HydrophobicContact SD-CD2 4.39Å; E94-Y124 CarbonylContact O-C 3.4Å; E94-Y124 WeakPolarHBondContact O-CA 3.41Å; E95-Y124 HydrophobicContact CB-CD1 3.73Å; E95-Y124 HydrophobicContact CB-CE1 3.59Å; E95-Y124 HydrophobicContact CG-CD1 4.04Å; E95-Y124 HydrophobicContact CG-CE1 3.64Å; Y124-F133 CarbonylContact O-C 3.58Å; Y124-F133 VanDerWaalsContact O-CA 3.28Å; Y124-F133 WeakPolarHBondContact O-CA 3.27Å; Y124-F133 WeakPolarHBondContact O-CD1 3.43Å; Y124-L134 PolarHBondContact N-O 3.33Å; Y124-L134 PolarHBondContact O-N 3.03Å; Y124-Q136 HydrophobicContact CE2-CB 4.45Å; Y124-Q136 HydrophobicContact CE2-CG 4.29Å
125H93.1Very high79.7Confident25 Ų2542.9 Ų42.912%0.11625%0.251CS..EExtended strand (participates in β ladder)trans-125.5154.8168.373.6122.1000110.6W93 E94 V96 V132 F133W93-H125 WeakPolarHBondContact CA-O 3.25Å; W93-H125 VanDerWaalsContact CE3-C 3.5Å; E94-H125 PolarHBondContact N-O 2.9Å; E94-H125 PolarHBondContact O-CD2 3.32Å; E94-H125 PolarHBondContact O-N 3.22Å; E94-H125 IonicContact OE2-CE1 2.86Å; E94-H125 IonicContact OE2-NE2 3.52Å; V96-H125 HydrophobicContact CG2-CB 4.05Å; V96-H125 WeakPolarHBondContact CG2-CD2 3.4Å; H125-V132 WeakPolarHBondContact CA-O 3.3Å; H125-F133 HydrophobicContact CB-CD1 4.16Å; H125-F133 HydrophobicContact CB-CD2 4.33Å; H125-F133 HydrophobicContact CB-CE1 3.9Å; H125-F133 HydrophobicContact CB-CE2 4.08Å; H125-F133 HydrophobicContact CB-CG 4.36Å; H125-F133 HydrophobicContact CB-CZ 3.82Å
126L92.4Very high82.6Confident15 Ų1538.8 Ų38.88%0.07922%0.22CC..EExtended strand (participates in β ladder)trans-79.1124.5178.5-177.363.9000110V92 W93 S128 N129 P130 V132 L262V92-L126 HydrophobicContact CB-CD1 3.89Å; V92-L126 HydrophobicContact CG2-CD1 3.38Å; W93-L126 HydrophobicContact CD2-CD1 4.2Å; W93-L126 HydrophobicContact CE3-CB 4.04Å; W93-L126 HydrophobicContact CE3-CD1 4.48Å; W93-L126 HydrophobicContact CH2-CB 3.98Å; W93-L126 HydrophobicContact CH2-CD1 4.37Å; W93-L126 HydrophobicContact CZ2-CD1 4.07Å; W93-L126 HydrophobicContact CZ3-CB 3.71Å; L126-S128 VanDerWaalsContact C-N 3.31Å; L126-S128 WeakPolarHBondContact CG-OG 3.25Å; L126-S128 PolarHBondContact O-N 2.92Å; L126-N129 HydrophobicContact CD2-CB 4.2Å; L126-N129 CarbonylContact O-C 3.5Å; L126-N129 PolarHBondContact O-N 2.85Å; L126-N129 VanDerWaalsContact O-N 3.14Å; L126-N129 VanDerWaalsContact O-O 3.13Å; L126-P130 WeakPolarHBondContact O-CA 3.09Å; L126-P130 VanDerWaalsContact O-N 3.15Å; L126-V132 HydrophobicContact CB-CB 4.22Å; L126-V132 PolarHBondContact N-O 2.85Å; L126-L262 HydrophobicContact CD2-CD2 3.84Å
127K90.8Very high85.3Confident115 Ų11536.3 Ų36.350%0.520%0.203SC..THydrogen-bonded Turntrans-58.7-39.9-179.2-71.3173.5-177.1169.60112.8G91 V92 E94G91-K127 PolarHBondContact O-NZ 2.86Å; V92-K127 VanDerWaalsContact O-CB 3.28Å; V92-K127 WeakPolarHBondContact O-CB 3.2Å; V92-K127 VanDerWaalsContact O-CG 3.24Å; V92-K127 WeakPolarHBondContact O-CG 3.36Å; V92-K127 PolarHBondContact O-N 2.78Å; E94-K127 HydrophobicContact CB-CG 3.97Å
128S89.9Confident87.5Confident98 Ų9832.4 Ų32.469%0.68518%0.181SC*.THydrogen-bonded Turntrans-76.6-22.4179.960.30000113.8L126L126-S128 VanDerWaalsContact C-N 3.31Å; L126-S128 WeakPolarHBondContact CG-OG 3.25Å; L126-S128 PolarHBondContact O-N 2.92Å
129N90.3Very high89.1Confident71 Ų7129.7 Ų29.738%0.3817%0.17SC..EExtended strand (participates in β ladder)trans-145.790.3174.8-178.2-8.1000109.6L126 S131 V132L126-N129 HydrophobicContact CD2-CB 4.2Å; L126-N129 CarbonylContact O-C 3.5Å; L126-N129 PolarHBondContact O-N 2.85Å; L126-N129 VanDerWaalsContact O-N 3.14Å; L126-N129 VanDerWaalsContact O-O 3.13Å; N129-S131 PolarHBondContact O-N 2.83Å; N129-S131 WeakPolarHBondContact OD1-CB 3.31Å; N129-S131 PolarHBondContact OD1-N 3.22Å; N129-S131 VanDerWaalsContact OD1-N 3.1Å; N129-S131 PolarHBondContact OD1-OG 3.47Å; N129-V132 HydrophobicContact CB-CG2 4.45Å; N129-V132 PolarHBondContact O-N 3.13Å; N129-V132 VanDerWaalsContact O-N 3.07Å
130P90.3Very high90.5Very high62 Ų6233.8 Ų33.840%0.40318%0.184SC..EExtended strand (participates in β ladder)trans-60.9-7.1-177.9-27.536.2000115.3L126 V132 F133L126-P130 WeakPolarHBondContact O-CA 3.09Å; L126-P130 VanDerWaalsContact O-N 3.15Å; P130-V132 VanDerWaalsContact C-N 3.31Å; P130-F133 WeakPolarHBondContact O-CE2 3.26Å
131S91.9Very high91.3Very high24 Ų2432 Ų3217%0.16818%0.176CC..EExtended strand (participates in β ladder)trans-80.6-7.5174.6790000114.8P67 C68 S69 K70 N129P67-S131 WeakPolarHBondContact O-CA 3.2Å; C68-S131 CarbonylContact C-O 3.57Å; C68-S131 WeakPolarHBondContact CA-O 3.28Å; S69-S131 PolarHBondContact N-O 3.36Å; S69-S131 PolarHBondContact OG-O 2.82Å; S69-S131 PolarHBondContact OG-OG 3.05Å; K70-S131 PolarHBondContact N-O 2.96Å; N129-S131 PolarHBondContact O-N 2.83Å; N129-S131 WeakPolarHBondContact OD1-CB 3.31Å; N129-S131 PolarHBondContact OD1-N 3.22Å; N129-S131 VanDerWaalsContact OD1-N 3.1Å; N129-S131 PolarHBondContact OD1-OG 3.47Å
132V93.9Very high91.3Very high6 Ų632.9 Ų32.94%0.03618%0.184CC..EExtended strand (participates in β ladder)trans-102.7119.1178.1-1770000109.3K70 W93 H125 L126 N129 P130 L262K70-V132 HydrophobicContact CB-CG1 4.33Å; K70-V132 HydrophobicContact CB-CG2 4.41Å; K70-V132 WeakPolarHBondContact O-CA 3.36Å; W93-V132 HydrophobicContact CH2-CG1 3.96Å; W93-V132 HydrophobicContact CZ3-CG1 4.36Å; H125-V132 WeakPolarHBondContact CA-O 3.3Å; L126-V132 HydrophobicContact CB-CB 4.22Å; L126-V132 PolarHBondContact N-O 2.85Å; N129-V132 HydrophobicContact CB-CG2 4.45Å; N129-V132 PolarHBondContact O-N 3.13Å; N129-V132 VanDerWaalsContact O-N 3.07Å; P130-V132 VanDerWaalsContact C-N 3.31Å; V132-L262 HydrophobicContact CG1-CD1 4.06Å; V132-L262 HydrophobicContact CG1-CD2 4.17Å
133F94.6Very high91.3Very high0 Ų039.2 Ų39.20%021%0.211CC..EExtended strand (participates in β ladder)trans-114147.8-179.1-83.1-102.4000112.1L63 Y66 C68 K70 F71 I72 V96 Y124 H125 P130L63-F133 HydrophobicContact CD2-CD1 4.48Å; L63-F133 HydrophobicContact CD2-CG 4.33Å; Y66-F133 HydrophobicContact CD1-CZ 4.25Å; Y66-F133 HydrophobicContact CD2-CE1 4.45Å; Y66-F133 HydrophobicContact CD2-CZ 4.13Å; Y66-F133 HydrophobicContact CG-CE1 4.41Å; Y66-F133 AromaticContact CG-CZ 3.67Å; Y66-F133 HydrophobicContact CG-CZ 3.67Å; C68-F133 HydrophobicContact CB-CD2 4.2Å; K70-F133 PolarHBondContact O-N 3.47Å; F71-F133 WeakPolarHBondContact CA-O 3.48Å; F71-F133 HydrophobicContact CD2-CB 3.42Å; F71-F133 VanDerWaalsContact CD2-CB 3.42Å; F71-F133 HydrophobicContact CE2-CB 3.94Å; F71-F133 HydrophobicContact CG-CB 4.32Å; I72-F133 PolarHBondContact N-O 3.49Å; V96-F133 HydrophobicContact CG2-CE1 3.94Å; Y124-F133 CarbonylContact O-C 3.58Å; Y124-F133 VanDerWaalsContact O-CA 3.28Å; Y124-F133 WeakPolarHBondContact O-CA 3.27Å; Y124-F133 WeakPolarHBondContact O-CD1 3.43Å; H125-F133 HydrophobicContact CB-CD1 4.16Å; H125-F133 HydrophobicContact CB-CD2 4.33Å; H125-F133 HydrophobicContact CB-CE1 3.9Å; H125-F133 HydrophobicContact CB-CE2 4.08Å; H125-F133 HydrophobicContact CB-CG 4.36Å; H125-F133 HydrophobicContact CB-CZ 3.82Å; P130-F133 WeakPolarHBondContact O-CE2 3.26Å
134L94.9Very high91Very high0 Ų042.8 Ų42.80%023%0.231CC..EExtended strand (participates in β ladder)trans-121.2141.7169.2-71.2170.4000109.9I72 L83 V87 M88 W93 F123 Y124I72-L134 HydrophobicContact CB-CD2 3.52Å; I72-L134 HydrophobicContact CD1-CD2 4.06Å; I72-L134 HydrophobicContact CG1-CD2 4.38Å; I72-L134 HydrophobicContact CG2-CD2 3.72Å; I72-L134 CarbonylContact O-C 3.6Å; I72-L134 VanDerWaalsContact O-CA 3.27Å; I72-L134 WeakPolarHBondContact O-CA 3.45Å; L83-L134 HydrophobicContact CD1-CD2 3.95Å; V87-L134 HydrophobicContact CG1-CD1 4.1Å; M88-L134 HydrophobicContact CG-CD1 3.51Å; M88-L134 HydrophobicContact SD-CD1 3.79Å; W93-L134 HydrophobicContact CD2-CD1 3.65Å; W93-L134 HydrophobicContact CE3-CD1 3.53Å; W93-L134 HydrophobicContact CE3-CG 4.06Å; W93-L134 HydrophobicContact CH2-CD1 3.36Å; W93-L134 HydrophobicContact CH2-CD2 4.44Å; W93-L134 HydrophobicContact CH2-CG 3.61Å; W93-L134 HydrophobicContact CZ2-CD1 3.48Å; W93-L134 VanDerWaalsContact CZ2-CD1 3.48Å; W93-L134 HydrophobicContact CZ2-CG 4.23Å; W93-L134 HydrophobicContact CZ3-CB 4.28Å; W93-L134 HydrophobicContact CZ3-CD1 3.38Å; W93-L134 HydrophobicContact CZ3-CG 3.51Å; F123-L134 WeakPolarHBondContact CA-O 3.5Å; Y124-L134 PolarHBondContact N-O 3.33Å; Y124-L134 PolarHBondContact O-N 3.03Å
135C95.7Very high90.9Very high0 Ų041.2 Ų41.20%022%0.224CC..EExtended strand (participates in β ladder)trans-119.6126.4165.9173.90000109.2F71 I72 I73 A74 G122 F123F71-C135 HydrophobicContact CE2-CB 3.66Å; F71-C135 HydrophobicContact CZ-CB 3.64Å; I72-C135 PolarHBondContact O-N 3.5Å; I73-C135 HydrophobicContact CB-CB 4.32Å; I73-C135 HydrophobicContact CG1-CB 4.17Å; I73-C135 HydrophobicContact CG2-CB 4Å; A74-C135 PolarHBondContact N-O 3.45Å; G122-C135 CarbonylContact O-C 3.52Å; G122-C135 VanDerWaalsContact O-CA 3.31Å; G122-C135 WeakPolarHBondContact O-CA 3.2Å; F123-C135 HydrophobicContact CD1-CB 3.83Å; F123-C135 HydrophobicContact CE1-CB 3.87Å; F123-C135 VanDerWaalsContact CE1-SG 3.56Å
136Q93.9Very high90.9Very high24 Ų2441 Ų4111%0.11222%0.223CC..EExtended strand (participates in β ladder)trans-107.9110.4169.9-66.3-168.3-32.800109V80 S84 M88 C121 G122 Y124V80-Q136 HydrophobicContact CG1-CB 4.11Å; V80-Q136 HydrophobicContact CG1-CG 4.24Å; V80-Q136 HydrophobicContact CG2-CB 4.13Å; S84-Q136 PolarHBondContact OG-NE2 2.9Å; M88-Q136 HydrophobicContact SD-CG 4.21Å; M88-Q136 PolarHBondContact SD-NE2 3.24Å; C121-Q136 CarbonylContact C-O 3.16Å; C121-Q136 WeakPolarHBondContact CA-O 3.42Å; G122-Q136 PolarHBondContact N-O 2.96Å; G122-Q136 PolarHBondContact O-N 2.86Å; Y124-Q136 HydrophobicContact CE2-CB 4.45Å; Y124-Q136 HydrophobicContact CE2-CG 4.29Å
137C92.6Very high90.9Very high0 Ų047.3 Ų47.30%025%0.247CC..EExtended strand (participates in β ladder)trans-111.490.8177.7-173.30000108.8A74 I75 G76 C121 C139A74-C137 PolarHBondContact O-N 2.78Å; I75-C137 WeakPolarHBondContact CA-O 3.35Å; I75-C137 HydrophobicContact CG1-CB 4.26Å; G76-C137 PolarHBondContact N-O 2.88Å; C121-C137 HydrophobicContact CB-CB 4.36Å; C121-C137 PolarHBondContact SG-SG 3.5Å; C137-C139 VanDerWaalsContact C-N 3.34Å; C137-C139 PolarHBondContact SG-O 3.34Å
138S85.7Confident91Very high69 Ų6944.8 Ų44.848%0.48324%0.237SC..  trans-85.1-9.7174.751.50000113
139C84.1Confident91.1Very high17 Ų1740.1 Ų40.112%0.11521%0.205CC..SBendtrans-99.2159.1177.555.40000112.3A119 F120 C137A119-C139 HydrophobicContact CB-CB 3.68Å; F120-C139 PolarHBondContact O-SG 3.22Å; C137-C139 VanDerWaalsContact C-N 3.34Å; C137-C139 PolarHBondContact SG-O 3.34Å
140Y86.4Confident91.3Very high97 Ų9737.1 Ų37.138%0.3819%0.189SC..  trans-69.8144.6167.5178-115.2000109.8N103 A142N103-Y140 PolarHBondContact ND2-O 2.93Å; N103-Y140 PolarHBondContact OD1-O 3.06Å; Y140-A142 HydrophobicContact CE1-CB 4.19Å
141V90.2Very high91.4Very high5 Ų537.6 Ų37.63%0.0319%0.186CC..  trans-116.2110.5172.5-172.70000107.2L101 Q145 Q146 W149 L215L101-V141 HydrophobicContact CD1-CB 4.16Å; L101-V141 HydrophobicContact CD1-CG1 4.1Å; L101-V141 HydrophobicContact CD1-CG2 3.45Å; L101-V141 VanDerWaalsContact CD1-CG2 3.45Å; L101-V141 HydrophobicContact CD2-CG1 4.15Å; V141-Q145 HydrophobicContact CG1-CB 4.2Å; V141-Q146 HydrophobicContact CB-CG 4.28Å; V141-Q146 HydrophobicContact CG1-CG 3.91Å; V141-Q146 PolarHBondContact O-NE2 3.04Å; V141-W149 HydrophobicContact CG1-CB 4.48Å; V141-L215 HydrophobicContact CB-CB 4.37Å; V141-L215 HydrophobicContact CB-CD2 4.35Å; V141-L215 HydrophobicContact CG2-CD2 3.7Å
142A89.4Confident91.4Very high19 Ų1940 Ų4016%0.15719%0.193CC..  trans-57.7145.7-177.700000111.4Y140 D144 Q145 Q146Y140-A142 HydrophobicContact CE1-CB 4.19Å; A142-D144 VanDerWaalsContact CB-OD1 3.29Å; A142-D144 WeakPolarHBondContact CB-OD1 3.43Å; A142-D144 PolarHBondContact O-N 3.44Å; A142-Q145 HydrophobicContact CB-CG 4.28Å; A142-Q145 WeakPolarHBondContact O-CA 3.31Å; A142-Q145 WeakPolarHBondContact O-CB 3.34Å; A142-Q145 PolarHBondContact O-N 2.85Å; A142-Q146 WeakPolarHBondContact O-CG 3.03Å; A142-Q146 PolarHBondContact O-N 2.59Å; A142-Q146 VanDerWaalsContact O-N 3.1Å
143E89.9Confident91.3Very high141 Ų14139.8 Ų39.866%0.65919%0.191SC*.Hα-helixtrans-54.4-39.9-173.6-63.6179.2177.800112.8Q145 Q146E143-Q145 PolarHBondContact O-N 2.87Å; E143-Q146 PolarHBondContact O-N 2.97Å
144D88Confident91.2Very high76 Ų7639.9 Ų39.941%0.40619%0.192SC..Hα-helixtrans-71.1-16.9177.464.9-26.7000113.8R45 A142R45-D144 WeakPolarHBondContact CD-OD2 3.05Å; R45-D144 IonicContact CZ-OD2 3.32Å; R45-D144 IonicContact NE-OD2 3.97Å; R45-D144 IonicContact NH1-OD2 2.66Å; R45-D144 PolarHBondContact NH1-OD2 3.26Å; A142-D144 VanDerWaalsContact CB-OD1 3.29Å; A142-D144 WeakPolarHBondContact CB-OD1 3.43Å; A142-D144 PolarHBondContact O-N 3.44Å
145Q90.8Very high90.9Very high1 Ų140 Ų401%0.00519%0.193CC..Hα-helixtrans-97.3-18176.7-61.2-162.5-6000113.6R45 V47 W102 N103 V141 A142 E143 Y147 Q148 W149R45-Q145 PolarHBondContact O-NE2 3.14Å; V47-Q145 HydrophobicContact CG2-CB 3.78Å; V47-Q145 HydrophobicContact CG2-CG 4.24Å; W102-Q145 VanDerWaalsContact N-NE2 3.16Å; W102-Q145 VanDerWaalsContact N-OE1 3.15Å; W102-Q145 PolarHBondContact O-OE1 2.91Å; N103-Q145 PolarHBondContact OD1-OE1 2.66Å; V141-Q145 HydrophobicContact CG1-CB 4.2Å; A142-Q145 HydrophobicContact CB-CG 4.28Å; A142-Q145 WeakPolarHBondContact O-CA 3.31Å; A142-Q145 WeakPolarHBondContact O-CB 3.34Å; A142-Q145 PolarHBondContact O-N 2.85Å; E143-Q145 PolarHBondContact O-N 2.87Å; Q145-Y147 PolarHBondContact O-N 2.87Å; Q145-Q148 PolarHBondContact O-N 3.12Å; Q145-W149 WeakPolarHBondContact O-CB 3.22Å; Q145-W149 PolarHBondContact O-N 3.3Å
146Q93.3Very high90.1Very high20 Ų2044.3 Ų44.39%0.09322%0.223CC..Hα-helixtrans-60.8-41.8-173.6-73.8169.62400112.5V141 A142 E143 W149 L150 D214 L215 A218V141-Q146 HydrophobicContact CB-CG 4.28Å; V141-Q146 HydrophobicContact CG1-CG 3.91Å; V141-Q146 PolarHBondContact O-NE2 3.04Å; A142-Q146 WeakPolarHBondContact O-CG 3.03Å; A142-Q146 PolarHBondContact O-N 2.59Å; A142-Q146 VanDerWaalsContact O-N 3.1Å; E143-Q146 PolarHBondContact O-N 2.97Å; Q146-W149 PolarHBondContact O-N 3.08Å; Q146-L150 WeakPolarHBondContact O-CG 3.42Å; Q146-L150 PolarHBondContact O-N 3.49Å; Q146-D214 VanDerWaalsContact OE1-C 3.3Å; Q146-L215 HydrophobicContact CG-CB 4.37Å; Q146-L215 HydrophobicContact CG-CD1 4.37Å; Q146-A218 HydrophobicContact CB-CB 4.2Å
147Y92.1Very high89.3Confident149 Ų14947.3 Ų47.358%0.58425%0.246SC*.Hα-helixtrans-66-47.2177.2-178.1-101.9000111.9Q145 W149 L150 E151Q145-Y147 PolarHBondContact O-N 2.87Å; Y147-W149 VanDerWaalsContact C-N 3.26Å; Y147-W149 PolarHBondContact O-N 3.23Å; Y147-L150 WeakPolarHBondContact O-CB 3.48Å; Y147-L150 PolarHBondContact O-N 3.26Å; Y147-E151 HydrophobicContact CD1-CG 4.19Å; Y147-E151 HydrophobicContact CE1-CG 3.72Å; Y147-E151 WeakPolarHBondContact CE1-OE2 3.46Å; Y147-E151 HydrophobicContact CE2-CG 4.44Å; Y147-E151 PolarHBondContact O-N 3.44Å; Y147-E151 PolarHBondContact OH-OE1 2.97Å
148Q92.4Very high88.6Confident61 Ų6147.8 Ų47.829%0.28525%0.249SC..Hα-helixtrans-59.3-40.1176.2-65.5-173.623.400111.3V47 Q145 L150 E151 K152V47-Q148 HydrophobicContact CB-CB 4.05Å; V47-Q148 HydrophobicContact CG2-CB 3.85Å; Q145-Q148 PolarHBondContact O-N 3.12Å; Q148-L150 VanDerWaalsContact C-N 3.34Å; Q148-L150 PolarHBondContact O-N 3.23Å; Q148-E151 PolarHBondContact O-N 3.35Å; Q148-K152 WeakPolarHBondContact O-CB 3.49Å; Q148-K152 VanDerWaalsContact O-CG 3.26Å; Q148-K152 WeakPolarHBondContact O-CG 3.37Å; Q148-K152 PolarHBondContact O-N 3.35Å
149W93.7Very high88.2Confident0 Ų049.9 Ų49.90%025%0.246CC..Hα-helixtrans-59.5-45.1174.8-173.396.8000111.5V47 I73 C121 F123 V141 Q145 Q146 Y147 K152 V153 F154 L215 V219V47-W149 HydrophobicContact CG1-CB 4.31Å; I73-W149 HydrophobicContact CD1-CH2 4.47Å; C121-W149 HydrophobicContact CB-CZ2 4.45Å; C121-W149 PolarHBondContact SG-NE1 3.49Å; F123-W149 AromaticContact CE1-CZ2 3.9Å; F123-W149 HydrophobicContact CE1-CZ2 3.9Å; F123-W149 AromaticContact CZ-CZ2 3.87Å; F123-W149 HydrophobicContact CZ-CZ2 3.87Å; V141-W149 HydrophobicContact CG1-CB 4.48Å; Q145-W149 WeakPolarHBondContact O-CB 3.22Å; Q145-W149 PolarHBondContact O-N 3.3Å; Q146-W149 PolarHBondContact O-N 3.08Å; Y147-W149 VanDerWaalsContact C-N 3.26Å; Y147-W149 PolarHBondContact O-N 3.23Å; W149-K152 PolarHBondContact O-N 2.86Å; W149-V153 HydrophobicContact CD2-CG2 3.79Å; W149-V153 HydrophobicContact CE3-CB 4.24Å; W149-V153 HydrophobicContact CE3-CG2 4Å; W149-V153 HydrophobicContact CG-CG2 4.43Å; W149-V153 HydrophobicContact CH2-CB 4.26Å; W149-V153 HydrophobicContact CH2-CG1 4.06Å; W149-V153 HydrophobicContact CH2-CG2 3.96Å; W149-V153 HydrophobicContact CZ2-CG2 3.75Å; W149-V153 HydrophobicContact CZ3-CB 4.11Å; W149-V153 HydrophobicContact CZ3-CG1 4.22Å; W149-V153 HydrophobicContact CZ3-CG2 4.08Å; W149-V153 WeakPolarHBondContact O-CB 3.5Å; W149-V153 VanDerWaalsContact O-CG2 3.27Å; W149-V153 WeakPolarHBondContact O-CG2 3.41Å; W149-V153 PolarHBondContact O-N 2.75Å; W149-F154 HydrophobicContact CZ3-CE2 4.05Å; W149-L215 HydrophobicContact CD2-CD1 4.08Å; W149-L215 HydrophobicContact CE3-CD1 3.69Å; W149-L215 HydrophobicContact CZ2-CD2 4.5Å; W149-L215 HydrophobicContact CZ3-CD1 4.08Å; W149-V219 HydrophobicContact CZ3-CG2 4.03Å
150L94.2Very high87.7Confident8 Ų857.9 Ų57.94%0.04228%0.279CS..Hα-helixtrans-61-46176.6-70.8168.4000111.8Q146 Y147 Q148 K152 V153 F154 A218 V219 Y222Q146-L150 WeakPolarHBondContact O-CG 3.42Å; Q146-L150 PolarHBondContact O-N 3.49Å; Y147-L150 WeakPolarHBondContact O-CB 3.48Å; Y147-L150 PolarHBondContact O-N 3.26Å; Q148-L150 VanDerWaalsContact C-N 3.34Å; Q148-L150 PolarHBondContact O-N 3.23Å; L150-K152 PolarHBondContact O-N 3.33Å; L150-V153 PolarHBondContact O-N 3.4Å; L150-F154 HydrophobicContact CD2-CD2 3.75Å; L150-F154 HydrophobicContact CD2-CE2 3.65Å; L150-F154 WeakPolarHBondContact O-CB 3.48Å; L150-F154 PolarHBondContact O-N 3.12Å; L150-A218 HydrophobicContact CD1-CB 3.9Å; L150-V219 HydrophobicContact CD2-CB 4.25Å; L150-V219 HydrophobicContact CD2-CG2 3.69Å; L150-Y222 HydrophobicContact CB-CD2 4.42Å; L150-Y222 HydrophobicContact CD1-CD2 4.43Å; L150-Y222 HydrophobicContact CD2-CG 4.49Å
151E91.9Very high87.6Confident73 Ų7360.4 Ų60.434%0.34130%0.299SS..Hα-helixtrans-61.1-44.5177.6-70.7-168.2114.600111.9Y147 Q148 V153 G155Y147-E151 HydrophobicContact CD1-CG 4.19Å; Y147-E151 HydrophobicContact CE1-CG 3.72Å; Y147-E151 WeakPolarHBondContact CE1-OE2 3.46Å; Y147-E151 HydrophobicContact CE2-CG 4.44Å; Y147-E151 PolarHBondContact O-N 3.44Å; Y147-E151 PolarHBondContact OH-OE1 2.97Å; Q148-E151 PolarHBondContact O-N 3.35Å; E151-V153 PolarHBondContact O-N 3.14Å; E151-G155 WeakPolarHBondContact O-CA 3.47Å; E151-G155 PolarHBondContact O-N 2.77Å
152K92Very high87.7Confident75 Ų7560.5 Ų60.533%0.32630%0.299SS..Hα-helixtrans-68.3-35.1178.8-64.1-60.3-177.5-175.30111.9L49 S61 L62 Q148 W149 L150L49-K152 HydrophobicContact CD1-CB 3.99Å; L49-K152 WeakPolarHBondContact CD1-O 3.5Å; L49-K152 HydrophobicContact CG-CB 3.96Å; S61-K152 CarbonylContact C-O 3.58Å; S61-K152 WeakPolarHBondContact CA-O 3.39Å; S61-K152 WeakPolarHBondContact CB-O 3.45Å; L62-K152 PolarHBondContact N-O 2.81Å; Q148-K152 WeakPolarHBondContact O-CB 3.49Å; Q148-K152 VanDerWaalsContact O-CG 3.26Å; Q148-K152 WeakPolarHBondContact O-CG 3.37Å; Q148-K152 PolarHBondContact O-N 3.35Å; W149-K152 PolarHBondContact O-N 2.86Å; L150-K152 PolarHBondContact O-N 3.33Å
153V92.6Very high88Confident0 Ų061 Ų610%030%0.299CS..Hα-helixtrans-82.6-53.8-178174.30000111.7L49 L62 L63 F71 F123 W149 L150 E151L49-V153 HydrophobicContact CD2-CG2 4.42Å; L62-V153 PolarHBondContact N-O 2.99Å; L63-V153 WeakPolarHBondContact CB-O 3.28Å; L63-V153 HydrophobicContact CD1-CG1 4.24Å; L63-V153 HydrophobicContact CG-CG1 4.4Å; L63-V153 VanDerWaalsContact CG-O 3.23Å; L63-V153 WeakPolarHBondContact CG-O 3.35Å; L63-V153 PolarHBondContact N-O 3.14Å; F71-V153 HydrophobicContact CE1-CG1 3.67Å; F71-V153 HydrophobicContact CZ-CG1 3.88Å; F123-V153 HydrophobicContact CE1-CG1 4.19Å; F123-V153 HydrophobicContact CE1-CG2 3.88Å; F123-V153 HydrophobicContact CE2-CG2 4.36Å; F123-V153 HydrophobicContact CZ-CG2 3.45Å; F123-V153 VanDerWaalsContact CZ-CG2 3.45Å; W149-V153 HydrophobicContact CD2-CG2 3.79Å; W149-V153 HydrophobicContact CE3-CB 4.24Å; W149-V153 HydrophobicContact CE3-CG2 4Å; W149-V153 HydrophobicContact CG-CG2 4.43Å; W149-V153 HydrophobicContact CH2-CB 4.26Å; W149-V153 HydrophobicContact CH2-CG1 4.06Å; W149-V153 HydrophobicContact CH2-CG2 3.96Å; W149-V153 HydrophobicContact CZ2-CG2 3.75Å; W149-V153 HydrophobicContact CZ3-CB 4.11Å; W149-V153 HydrophobicContact CZ3-CG1 4.22Å; W149-V153 HydrophobicContact CZ3-CG2 4.08Å; W149-V153 WeakPolarHBondContact O-CB 3.5Å; W149-V153 VanDerWaalsContact O-CG2 3.27Å; W149-V153 WeakPolarHBondContact O-CG2 3.41Å; W149-V153 PolarHBondContact O-N 2.75Å; L150-V153 PolarHBondContact O-N 3.4Å; E151-V153 PolarHBondContact O-N 3.14Å
154F91.7Very high88.3Confident3 Ų354.3 Ų54.31%0.01327%0.267CS..Hα-helixtrans-86.3-25.9-174.5-70.5-90.8000114L63 F71 I73 W149 L150 M162 I164 V219 Y222L63-F154 HydrophobicContact CD1-CD1 3.76Å; L63-F154 HydrophobicContact CD1-CE1 3.97Å; L63-F154 HydrophobicContact CD1-CG 4.26Å; F71-F154 HydrophobicContact CD1-CE1 4.17Å; F71-F154 AromaticContact CD1-CZ 3.98Å; F71-F154 HydrophobicContact CD1-CZ 3.98Å; F71-F154 HydrophobicContact CE1-CE2 4.4Å; F71-F154 HydrophobicContact CE1-CZ 4.01Å; I73-F154 HydrophobicContact CD1-CZ 4.29Å; W149-F154 HydrophobicContact CZ3-CE2 4.05Å; L150-F154 HydrophobicContact CD2-CD2 3.75Å; L150-F154 HydrophobicContact CD2-CE2 3.65Å; L150-F154 WeakPolarHBondContact O-CB 3.48Å; L150-F154 PolarHBondContact O-N 3.12Å; F154-M162 HydrophobicContact CD1-CE 3.88Å; F154-M162 HydrophobicContact CE1-CE 3.93Å; F154-I164 HydrophobicContact CE1-CD1 3.81Å; F154-I164 HydrophobicContact CE1-CG1 4.3Å; F154-I164 HydrophobicContact CZ-CD1 4.36Å; F154-V219 HydrophobicContact CE2-CG1 4.25Å; F154-V219 HydrophobicContact CZ-CG1 3.96Å; F154-Y222 HydrophobicContact CB-CE1 3.68Å; F154-Y222 HydrophobicContact CB-CE2 4.5Å; F154-Y222 WeakPolarHBondContact CB-OH 3.47Å; F154-Y222 HydrophobicContact CD1-CD1 4.32Å; F154-Y222 AromaticContact CD1-CE1 3.87Å; F154-Y222 HydrophobicContact CD1-CE1 3.87Å; F154-Y222 HydrophobicContact CD2-CE1 4.42Å; F154-Y222 HydrophobicContact CG-CD1 4.24Å; F154-Y222 AromaticContact CG-CE1 3.74Å; F154-Y222 HydrophobicContact CG-CE1 3.74Å
155G87.9Confident88.8Confident3 Ų350.8 Ų50.83%0.03125%0.249CC..  trans85178.9-173.500000113.9S61 E64 E151 Y222S61-G155 WeakPolarHBondContact OG-CA 3.43Å; E64-G155 WeakPolarHBondContact OE1-CA 3.39Å; E151-G155 WeakPolarHBondContact O-CA 3.47Å; E151-G155 PolarHBondContact O-N 2.77Å; G155-Y222 PolarHBondContact O-OH 2.86Å
156S79.4Confident89.2Confident89 Ų8950.8 Ų50.862%0.62225%0.248SC*.SBendtrans-80.2-23-179.1-55.40000112.2E64E64-S156 PolarHBondContact OE1-N 2.92Å
157C77.5Confident89.4Confident87 Ų8749.8 Ų49.859%0.58824%0.244SC*.SBendtrans-132.492.4176-177.60000110.9E64E64-C157 PolarHBondContact OE1-N 3.49Å
158P76.8Confident89.6Confident10 Ų1043 Ų437%0.06522%0.218CC..  trans-68.5143.5-176.127.8-33.4000111.6Y222 W226 I228P158-Y222 HydrophobicContact CB-CE1 3.96Å; P158-Y222 WeakPolarHBondContact CB-OH 3.38Å; P158-Y222 WeakPolarHBondContact CD-OH 3.37Å; P158-Y222 HydrophobicContact CG-CE1 3.89Å; P158-Y222 VanDerWaalsContact CG-OH 3.3Å; P158-Y222 WeakPolarHBondContact CG-OH 3.49Å; P158-W226 HydrophobicContact CG-CB 3.68Å; P158-W226 HydrophobicContact CG-CD2 3.47Å; P158-W226 VanDerWaalsContact CG-CD2 3.47Å; P158-W226 HydrophobicContact CG-CE3 3.69Å; P158-W226 HydrophobicContact CG-CG 3.46Å; P158-W226 VanDerWaalsContact CG-CG 3.46Å; P158-W226 HydrophobicContact CG-CZ3 4.45Å; P158-I228 HydrophobicContact CB-CD1 3.65Å; P158-I228 HydrophobicContact CG-CD1 3.96Å
159R77.9Confident89.8Confident113 Ų11340.9 Ų40.943%0.42621%0.209SC..  trans-69135.5178.9-60.1-174.9-174-151.11.7110.6L63 E64 N161L63-R159 PolarHBondContact O-NE 2.76Å; E64-R159 PolarHBondContact O-NH2 3.37Å; R159-N161 VanDerWaalsContact C-N 3.33Å; R159-N161 PolarHBondContact O-N 2.79Å
160K73.1Confident89.9Confident186 Ų18642.9 Ų42.981%0.80922%0.217SC*.SBendtrans-72.9-19.9-176.4-64.1-178.6179.8175.70114.6M162K160-M162 PolarHBondContact O-N 3.3Å
161N84.8Confident89.8Confident149 Ų14945 Ų4580%0.79723%0.227SC*.SBendtrans-101.142.7-174.8-65.2-7.8000112.4R159R159-N161 VanDerWaalsContact C-N 3.33Å; R159-N161 PolarHBondContact O-N 2.79Å
162M92.3Very high89.9Confident7 Ų742.5 Ų42.53%0.03422%0.216CC..  trans-122.7142.4-178.8-177.2171.153.400110.7L63 C68 S69 F71 F154 K160 I164 I228 P229L63-M162 HydrophobicContact CD1-CE 4.1Å; L63-M162 HydrophobicContact CD1-SD 3.89Å; C68-M162 HydrophobicContact CB-SD 3.97Å; S69-M162 CarbonylContact O-C 3.56Å; S69-M162 WeakPolarHBondContact O-CA 3.49Å; F71-M162 HydrophobicContact CB-SD 4.2Å; F154-M162 HydrophobicContact CD1-CE 3.88Å; F154-M162 HydrophobicContact CE1-CE 3.93Å; K160-M162 PolarHBondContact O-N 3.3Å; M162-I164 HydrophobicContact CE-CD1 3.77Å; M162-I164 HydrophobicContact CG-CD1 3.71Å; M162-I164 HydrophobicContact SD-CD1 3.67Å; M162-I228 HydrophobicContact CE-CD1 4.41Å; M162-I228 WeakPolarHBondContact O-CG2 3.26Å; M162-P229 WeakPolarHBondContact O-CD 3.14Å
163Q95Very high89.9Confident31 Ų3142.9 Ų42.915%0.14523%0.225CC..EExtended strand (participates in β ladder)trans-114.3132.3171.7-173.417723.500109.9S69 K70 F71 F197 D199 P229S69-Q163 PolarHBondContact O-N 2.79Å; K70-Q163 WeakPolarHBondContact CA-O 3.32Å; F71-Q163 PolarHBondContact N-O 3.38Å; Q163-F197 HydrophobicContact CG-CD2 4.37Å; Q163-F197 HydrophobicContact CG-CE2 3.96Å; Q163-D199 PolarHBondContact NE2-OD2 3.23Å; Q163-P229 CarbonylContact C-O 3.6Å; Q163-P229 WeakPolarHBondContact CA-O 3.4Å
164I97.2Very high89.8Confident0 Ų045.9 Ų45.90%024%0.241CC..EExtended strand (participates in β ladder)trans-108.3136.4-178.7-49.6-59.5000110.3F71 I73 F154 M162 I166 V219 I228 P229 A230 I231F71-I164 HydrophobicContact CB-CD1 3.63Å; F71-I164 HydrophobicContact CD1-CD1 4.04Å; F71-I164 HydrophobicContact CG-CD1 4.34Å; F71-I164 WeakPolarHBondContact O-CA 3.25Å; I73-I164 HydrophobicContact CD1-CG2 4.17Å; F154-I164 HydrophobicContact CE1-CD1 3.81Å; F154-I164 HydrophobicContact CE1-CG1 4.3Å; F154-I164 HydrophobicContact CZ-CD1 4.36Å; M162-I164 HydrophobicContact CE-CD1 3.77Å; M162-I164 HydrophobicContact CG-CD1 3.71Å; M162-I164 HydrophobicContact SD-CD1 3.67Å; I164-I166 HydrophobicContact CG2-CD1 4.45Å; I164-I166 HydrophobicContact CG2-CG1 3.92Å; I164-V219 HydrophobicContact CG2-CG1 4.21Å; I164-I228 HydrophobicContact CG1-CG2 3.8Å; I164-P229 PolarHBondContact N-O 2.92Å; I164-A230 HydrophobicContact CB-CB 3.75Å; I164-A230 HydrophobicContact CG1-CB 4.44Å; I164-A230 HydrophobicContact CG2-CB 4.43Å; I164-A230 WeakPolarHBondContact O-CA 3.44Å; I164-I231 PolarHBondContact O-N 2.85Å
165T98.1Very high89.9Confident2 Ų246.1 Ų46.11%0.01224%0.242CC..EExtended strand (participates in β ladder)trans-128.9121.8171.3-63.10000109.1F71 I72 I73 L167 I231 Y233 S258 L259F71-T165 PolarHBondContact O-N 3.28Å; I72-T165 CarbonylContact C-O 3.56Å; I72-T165 VanDerWaalsContact CA-O 3.28Å; I72-T165 WeakPolarHBondContact CA-O 3.46Å; I73-T165 PolarHBondContact N-O 3.47Å; T165-L167 HydrophobicContact CG2-CD2 4.13Å; T165-I231 CarbonylContact C-O 2.98Å; T165-I231 WeakPolarHBondContact CA-O 3.5Å; T165-I231 HydrophobicContact CG2-CG2 4.26Å; T165-Y233 HydrophobicContact CG2-CD2 4.07Å; T165-Y233 HydrophobicContact CG2-CE2 4.01Å; T165-S258 WeakPolarHBondContact OG1-CB 3.43Å; T165-S258 PolarHBondContact OG1-OG 3.2Å; T165-L259 HydrophobicContact CG2-CD1 4.38Å
166I98.5Very high90Very high0 Ų051 Ų510%026%0.262CS..EExtended strand (participates in β ladder)trans-112.6132.3-176.6-48.1160.8000108I73 I75 I164 P216 V219 L220 I231 L232 Y233I73-I166 CarbonylContact O-C 3.48Å; I73-I166 WeakPolarHBondContact O-CA 3.43Å; I75-I166 HydrophobicContact CD1-CG2 3.93Å; I164-I166 HydrophobicContact CG2-CD1 4.45Å; I164-I166 HydrophobicContact CG2-CG1 3.92Å; I166-P216 HydrophobicContact CG2-CB 4.18Å; I166-V219 HydrophobicContact CD1-CB 3.88Å; I166-V219 HydrophobicContact CD1-CG1 3.56Å; I166-V219 HydrophobicContact CG1-CG1 4.06Å; I166-L220 HydrophobicContact CD1-CB 4.19Å; I166-L220 HydrophobicContact CD1-CD1 4.36Å; I166-I231 PolarHBondContact N-O 2.87Å; I166-L232 HydrophobicContact CB-CB 4.29Å; I166-L232 HydrophobicContact CB-CD1 3.65Å; I166-L232 HydrophobicContact CD1-CB 4.41Å; I166-L232 HydrophobicContact CG2-CD1 3.54Å; I166-L232 CarbonylContact O-C 3.52Å; I166-L232 WeakPolarHBondContact O-CA 3.47Å; I166-Y233 PolarHBondContact O-N 3.4Å
167L98.3Very high90.4Very high0 Ų048.2 Ų48.20%024%0.242CC..EExtended strand (participates in β ladder)trans-120.8127.3177.4-51.6-176.7000108.6I73 A74 I75 A79 F82 L83 T165 Y233 F250 I253I73-L167 PolarHBondContact O-N 2.95Å; A74-L167 WeakPolarHBondContact CA-O 2.85Å; I75-L167 PolarHBondContact N-O 3.3Å; A79-L167 HydrophobicContact CB-CB 3.97Å; A79-L167 WeakPolarHBondContact CB-O 3.12Å; F82-L167 HydrophobicContact CD1-CD1 3.86Å; F82-L167 HydrophobicContact CE1-CD1 4.03Å; L83-L167 HydrophobicContact CD1-CD1 4.36Å; L83-L167 HydrophobicContact CD2-CD1 3.73Å; L83-L167 HydrophobicContact CG-CD1 3.97Å; T165-L167 HydrophobicContact CG2-CD2 4.13Å; L167-Y233 HydrophobicContact CD2-CD2 3.71Å; L167-Y233 HydrophobicContact CD2-CG 4.2Å; L167-F250 HydrophobicContact CB-CE1 4.29Å; L167-I253 HydrophobicContact CD2-CD1 3.6Å; L167-I253 HydrophobicContact CD2-CG2 4.22Å
168T97.4Very high90.7Very high6 Ų652.5 Ų52.54%0.03726%0.258CS..EExtended strand (participates in β ladder)trans-154.4166.8175.8-160.90000112.2I75 P216 L232 Y233 L234 C235 F250I75-T168 WeakPolarHBondContact O-CA 3.03Å; I75-T168 WeakPolarHBondContact O-CB 3.43Å; I75-T168 PolarHBondContact O-OG1 3.1Å; T168-P216 HydrophobicContact CG2-CB 4.1Å; T168-P216 HydrophobicContact CG2-CG 3.81Å; T168-L232 HydrophobicContact CG2-CD1 3.93Å; T168-Y233 PolarHBondContact N-O 3.35Å; T168-L234 HydrophobicContact CG2-CD2 3.39Å; T168-L234 HydrophobicContact CG2-CG 4.3Å; T168-C235 PolarHBondContact O-N 2.66Å; T168-F250 WeakPolarHBondContact O-CZ 3.19Å
169C95.9Very high90.9Very high16 Ų1658.3 Ų58.311%0.10828%0.284CS..EExtended strand (participates in β ladder)trans-114.7149.7176.1-66.20000110.7N78 C235 F250N78-C169 WeakPolarHBondContact CB-SG 3.32Å; C169-C235 CarbonylContact C-O 3.43Å; C169-C235 WeakPolarHBondContact CA-O 3.37Å; C169-F250 VanDerWaalsContact SG-CE2 3.53Å; C169-F250 VanDerWaalsContact SG-CZ 3.52Å
170R94.9Very high90.9Very high42 Ų4257 Ų5716%0.15829%0.292CS..EExtended strand (participates in β ladder)trans-137.7158169.9-73.2-62.1179-179.7-2.8110.8D174 H213 D214 L234 C235 Y236 T237R170-D174 HydrophobicContact CB-CB 4.42Å; R170-H213 PolarHBondContact NH2-O 2.96Å; R170-D214 IonicContact CZ-OD2 3.77Å; R170-D214 VanDerWaalsContact CZ-OD2 3.22Å; R170-D214 IonicContact NH1-OD2 3.6Å; R170-D214 PolarHBondContact NH1-OD2 3.28Å; R170-D214 IonicContact NH2-OD2 2.77Å; R170-D214 PolarHBondContact NH2-OD2 2.92Å; R170-L234 HydrophobicContact CG-CD2 4.02Å; R170-C235 PolarHBondContact N-O 3.03Å; R170-Y236 HydrophobicContact CB-CD1 3.87Å; R170-Y236 HydrophobicContact CB-CE1 3.75Å; R170-Y236 WeakPolarHBondContact O-CA 3.23Å; R170-T237 PolarHBondContact O-N 2.86Å
171H93.6Very high91.1Very high54 Ų5450.7 Ų50.725%0.2527%0.269CS..EExtended strand (participates in β ladder)trans-73.4145177.7-168.3-105.4000108.5T173 D174 Y236 T237 D238 M240H171-T173 VanDerWaalsContact CE1-CG2 3.47Å; H171-T173 WeakPolarHBondContact CE1-CG2 3.41Å; H171-T173 WeakPolarHBondContact ND1-CB 3.25Å; H171-T173 VanDerWaalsContact ND1-CG2 3.31Å; H171-T173 WeakPolarHBondContact ND1-CG2 3.4Å; H171-T173 PolarHBondContact ND1-N 2.83Å; H171-T173 PolarHBondContact ND1-OG1 3.39Å; H171-T173 PolarHBondContact O-N 3.14Å; H171-T173 VanDerWaalsContact O-N 3.1Å; H171-D174 VanDerWaalsContact O-CB 3.31Å; H171-D174 WeakPolarHBondContact O-CB 3.45Å; H171-D174 PolarHBondContact O-N 3.2Å; H171-Y236 WeakPolarHBondContact O-CD1 3.46Å; H171-T237 CarbonylContact C-O 3.43Å; H171-T237 WeakPolarHBondContact CA-O 3.21Å; H171-T237 PolarHBondContact CD2-O 3.13Å; H171-D238 PolarHBondContact NE2-O 2.98Å; H171-M240 HydrophobicContact CB-CE 3.86Å; H171-M240 HydrophobicContact CB-CG 4.03Å; H171-M240 HydrophobicContact CB-SD 3.98Å; H171-M240 PolarHBondContact N-SD 2.86Å
172V93.1Very high90.5Very high20 Ų2047.1 Ų47.112%0.12127%0.268CS..G310 helixtrans-57.5-27.7-179.365.90000112.8D174 Y175 F188 T237 D238V172-D174 PolarHBondContact O-N 2.85Å; V172-Y175 VanDerWaalsContact O-CB 3.26Å; V172-Y175 WeakPolarHBondContact O-CB 3.3Å; V172-Y175 PolarHBondContact O-N 3.04Å; V172-Y175 VanDerWaalsContact O-N 3.09Å; V172-F188 HydrophobicContact CG2-CE1 3.99Å; V172-T237 PolarHBondContact N-O 3.27Å; V172-D238 HydrophobicContact CG1-CB 4.27Å
173T91.6Very high89.8Confident83 Ų8351.3 Ų51.351%0.50930%0.298SS..G310 helixtrans-66.9-20.1175.158.70000113.9H171 Y175H171-T173 VanDerWaalsContact CE1-CG2 3.47Å; H171-T173 WeakPolarHBondContact CE1-CG2 3.41Å; H171-T173 WeakPolarHBondContact ND1-CB 3.25Å; H171-T173 VanDerWaalsContact ND1-CG2 3.31Å; H171-T173 WeakPolarHBondContact ND1-CG2 3.4Å; H171-T173 PolarHBondContact ND1-N 2.83Å; H171-T173 PolarHBondContact ND1-OG1 3.39Å; H171-T173 PolarHBondContact O-N 3.14Å; H171-T173 VanDerWaalsContact O-N 3.1Å; T173-Y175 VanDerWaalsContact C-N 3.28Å
174D91.8Very high89.2Confident62 Ų6251.7 Ų51.733%0.33230%0.3SS..G310 helixtrans-81.1-15.4176.5-58.2-19.4000111.1R170 H171 V172 K176 Y236R170-D174 HydrophobicContact CB-CB 4.42Å; H171-D174 VanDerWaalsContact O-CB 3.31Å; H171-D174 WeakPolarHBondContact O-CB 3.45Å; H171-D174 PolarHBondContact O-N 3.2Å; V172-D174 PolarHBondContact O-N 2.85Å; D174-K176 PolarHBondContact O-N 2.86Å; D174-Y236 HydrophobicContact CB-CE1 4.44Å
175Y92.6Very high88.8Confident8 Ų856.6 Ų56.63%0.03133%0.332CS..  trans-68.9116.9176.6-174.8-124.6000110.1V172 T173 T177 L184 F188 K190 L206 E207 Y236V172-Y175 VanDerWaalsContact O-CB 3.26Å; V172-Y175 WeakPolarHBondContact O-CB 3.3Å; V172-Y175 PolarHBondContact O-N 3.04Å; V172-Y175 VanDerWaalsContact O-N 3.09Å; T173-Y175 VanDerWaalsContact C-N 3.28Å; Y175-T177 HydrophobicContact CD1-CG2 3.64Å; Y175-T177 VanDerWaalsContact CE1-CB 3.46Å; Y175-T177 HydrophobicContact CE1-CG2 3.54Å; Y175-L184 HydrophobicContact CD1-CD1 3.48Å; Y175-L184 VanDerWaalsContact CD1-CD1 3.48Å; Y175-L184 HydrophobicContact CE1-CD1 3.62Å; Y175-F188 HydrophobicContact CD1-CE2 4.2Å; Y175-F188 AromaticContact CD1-CZ 3.75Å; Y175-F188 HydrophobicContact CD1-CZ 3.75Å; Y175-F188 HydrophobicContact CD2-CE2 4.42Å; Y175-F188 HydrophobicContact CD2-CZ 4.5Å; Y175-F188 HydrophobicContact CE1-CE2 4.2Å; Y175-F188 HydrophobicContact CE1-CZ 4.12Å; Y175-F188 HydrophobicContact CE2-CE2 4.43Å; Y175-F188 HydrophobicContact CG-CE2 4.32Å; Y175-F188 AromaticContact CG-CZ 3.96Å; Y175-F188 HydrophobicContact CG-CZ 3.96Å; Y175-K190 HydrophobicContact CE2-CG 4.18Å; Y175-K190 WeakPolarHBondContact OH-CE 3.27Å; Y175-K190 PolarHBondContact OH-NZ 2.84Å; Y175-L206 HydrophobicContact CD2-CD1 4.11Å; Y175-L206 HydrophobicContact CE2-CD1 3.79Å; Y175-E207 PolarHBondContact OH-OE1 3Å; Y175-Y236 AromaticContact CD2-CD2 3.99Å; Y175-Y236 HydrophobicContact CD2-CD2 3.99Å; Y175-Y236 HydrophobicContact CD2-CE1 4.19Å; Y175-Y236 AromaticContact CD2-CE2 3.54Å; Y175-Y236 HydrophobicContact CD2-CE2 3.54Å; Y175-Y236 HydrophobicContact CD2-CG 4.48Å; Y175-Y236 AromaticContact CD2-CZ 3.65Å; Y175-Y236 HydrophobicContact CE2-CE2 4.23Å; Y175-Y236 HydrophobicContact CG-CD1 4.5Å; Y175-Y236 HydrophobicContact CG-CD2 4.4Å; Y175-Y236 HydrophobicContact CG-CE1 4.39Å; Y175-Y236 HydrophobicContact CG-CE2 4.3Å; Y175-Y236 HydrophobicContact CG-CG 4.48Å
176K90.7Very high88.5Confident106 Ų10658.6 Ų58.646%0.46135%0.346SS..  trans-93.3112.8177.1-56-52.3178.7-167.20109D174 P209D174-K176 PolarHBondContact O-N 2.86Å; K176-P209 HydrophobicContact CB-CG 3.83Å; K176-P209 HydrophobicContact CG-CG 4.43Å
177T87.3Confident88.4Confident31 Ų3160 Ų6019%0.1936%0.356CS..  trans-142.5158.4177.8-177.10000110Y175 E179 T181 L184 E207Y175-T177 HydrophobicContact CD1-CG2 3.64Å; Y175-T177 VanDerWaalsContact CE1-CB 3.46Å; Y175-T177 HydrophobicContact CE1-CG2 3.54Å; T177-E179 VanDerWaalsContact C-N 3.28Å; T177-E179 HydrophobicContact CG2-CB 4.49Å; T177-E179 VanDerWaalsContact CG2-O 3.25Å; T177-E179 WeakPolarHBondContact CG2-O 3.44Å; T177-E179 PolarHBondContact OG1-N 2.66Å; T177-T181 HydrophobicContact CG2-CG2 3.89Å; T177-L184 HydrophobicContact CG2-CD1 4.27Å; T177-E207 WeakPolarHBondContact CB-OE1 3.28Å; T177-E207 PolarHBondContact OG1-OE1 2.9Å
178L83.8Confident88.2Confident176 Ų17661.5 Ų61.592%0.92136%0.362SS*.SBendtrans-75.9-21.8172.8-64.3174.2000111.7
179E80.1Confident88.2Confident133 Ų13362.1 Ų62.162%0.62137%0.365SS*.SBendtrans-82.3160.1178.2-63-176.9175.600111.5T177 T181T177-E179 VanDerWaalsContact C-N 3.28Å; T177-E179 HydrophobicContact CG2-CB 4.49Å; T177-E179 VanDerWaalsContact CG2-O 3.25Å; T177-E179 WeakPolarHBondContact CG2-O 3.44Å; T177-E179 PolarHBondContact OG1-N 2.66Å; E179-T181 PolarHBondContact O-N 2.94Å
180S78.1Confident88.3Confident84 Ų8463 Ų6359%0.58737%0.367SS*.  trans-67.9123.5174-178.40000110.2G182 S183S180-G182 PolarHBondContact O-N 2.86Å; S180-G182 PolarHBondContact OG-N 3.38Å; S180-S183 PolarHBondContact O-N 2.88Å; S180-S183 PolarHBondContact O-OG 3.37Å
181T77.2Confident88.4Confident55 Ų5561 Ų6134%0.33736%0.359SS..G310 helixtrans-64.9-19.5177.4550000112.9T177 E179 S183 L184T177-T181 HydrophobicContact CG2-CG2 3.89Å; E179-T181 PolarHBondContact O-N 2.94Å; T181-S183 VanDerWaalsContact C-N 3.27Å; T181-S183 PolarHBondContact O-N 3.49Å; T181-L184 HydrophobicContact CG2-CD1 4.42Å; T181-L184 PolarHBondContact O-N 3.31Å
182G72.3Confident88.6Confident74 Ų7459.8 Ų59.876%0.76335%0.354SS*.G310 helixtrans-70.5-16.6-177.700000114.9S180S180-G182 PolarHBondContact O-N 2.86Å; S180-G182 PolarHBondContact OG-N 3.38Å
183S77.6Confident88.8Confident95 Ų9562.4 Ų62.466%0.66436%0.364SS*.G310 helixtrans-102.2-0.7176.9520000113.7S180 T181S180-S183 PolarHBondContact O-N 2.88Å; S180-S183 PolarHBondContact O-OG 3.37Å; T181-S183 VanDerWaalsContact C-N 3.27Å; T181-S183 PolarHBondContact O-N 3.49Å
184L83.8Confident89Confident39 Ų3958.7 Ų58.720%0.20434%0.341CS..SBendtrans-76.8135.5-177.9-68174.3000110.8Y175 T177 T181 S186 F188Y175-L184 HydrophobicContact CD1-CD1 3.48Å; Y175-L184 VanDerWaalsContact CD1-CD1 3.48Å; Y175-L184 HydrophobicContact CE1-CD1 3.62Å; T177-L184 HydrophobicContact CG2-CD1 4.27Å; T181-L184 HydrophobicContact CG2-CD1 4.42Å; T181-L184 PolarHBondContact O-N 3.31Å; L184-S186 PolarHBondContact O-N 2.83Å; L184-F188 HydrophobicContact CB-CE1 4.19Å; L184-F188 HydrophobicContact CD1-CE1 4.34Å; L184-F188 HydrophobicContact CD1-CZ 4.02Å
185P88.6Confident89.2Confident103 Ų10362.6 Ų62.667%0.66936%0.358SS*.PPolyproline II helixtrans-68.3117.8174.728.1-32.9000109.6F188P185-F188 WeakPolarHBondContact O-CD1 3.43Å
186S91.4Very high89.3Confident43 Ų4365 Ų6530%0.30137%0.371SS..SBendtrans-102.1138.2174.3179.30000110.6L184 T237 D238L184-S186 PolarHBondContact O-N 2.83Å; S186-T237 WeakPolarHBondContact OG-CA 3.3Å; S186-D238 PolarHBondContact OG-N 3.49Å; S186-D238 PolarHBondContact OG-OD1 3.28Å
187P95.7Very high89.6Confident31 Ų3160.3 Ų60.320%0.20135%0.351CS..SBendcis-83.4156.5-5.333.5-36.1000113.4Y236 I245 A249P187-Y236 CarbonylContact C-O 3.51Å; P187-Y236 WeakPolarHBondContact CA-O 3.34Å; P187-Y236 WeakPolarHBondContact CB-O 3.28Å; P187-I245 HydrophobicContact CG-CG2 3.83Å; P187-A249 HydrophobicContact CB-CB 4.12Å; P187-A249 HydrophobicContact CG-CB 3.85Å
188F95.5Very high89.9Confident30 Ų3066.9 Ų66.913%0.13238%0.377CS..EExtended strand (participates in β ladder)trans-143.7151.2176.864-82.6000113.5V172 Y175 L184 P185 K190 C235 Y236V172-F188 HydrophobicContact CG2-CE1 3.99Å; Y175-F188 HydrophobicContact CD1-CE2 4.2Å; Y175-F188 AromaticContact CD1-CZ 3.75Å; Y175-F188 HydrophobicContact CD1-CZ 3.75Å; Y175-F188 HydrophobicContact CD2-CE2 4.42Å; Y175-F188 HydrophobicContact CD2-CZ 4.5Å; Y175-F188 HydrophobicContact CE1-CE2 4.2Å; Y175-F188 HydrophobicContact CE1-CZ 4.12Å; Y175-F188 HydrophobicContact CE2-CE2 4.43Å; Y175-F188 HydrophobicContact CG-CE2 4.32Å; Y175-F188 AromaticContact CG-CZ 3.96Å; Y175-F188 HydrophobicContact CG-CZ 3.96Å; L184-F188 HydrophobicContact CB-CE1 4.19Å; L184-F188 HydrophobicContact CD1-CE1 4.34Å; L184-F188 HydrophobicContact CD1-CZ 4.02Å; P185-F188 WeakPolarHBondContact O-CD1 3.43Å; F188-K190 HydrophobicContact CD2-CG 4.16Å; F188-K190 HydrophobicContact CE2-CG 4.04Å; F188-C235 WeakPolarHBondContact O-CA 3.08Å; F188-Y236 HydrophobicContact CD2-CD2 4.37Å; F188-Y236 HydrophobicContact CE1-CG 4.49Å; F188-Y236 AromaticContact CE2-CD2 3.73Å; F188-Y236 HydrophobicContact CE2-CD2 3.73Å; F188-Y236 HydrophobicContact CE2-CG 4.12Å; F188-Y236 HydrophobicContact CZ-CD2 4.03Å; F188-Y236 AromaticContact CZ-CG 3.95Å; F188-Y236 HydrophobicContact CZ-CG 3.95Å; F188-Y236 PolarHBondContact N-O 3.2Å; F188-Y236 PolarHBondContact O-N 3.1Å
189L96.8Very high90.3Very high19 Ų1960.3 Ų60.310%0.09934%0.342CS..EExtended strand (participates in β ladder)trans-95.7136.3178.8-73.5178.4000112.7C203 L234 C235 A249 F250 P252 I253L189-C203 HydrophobicContact CB-CB 3.81Å; L189-L234 CarbonylContact C-O 3.51Å; L189-L234 WeakPolarHBondContact CA-O 3.05Å; L189-C235 HydrophobicContact CD2-CB 3.78Å; L189-A249 WeakPolarHBondContact CD1-O 3.44Å; L189-A249 WeakPolarHBondContact CG-O 3.47Å; L189-F250 HydrophobicContact CD2-CD1 3.86Å; L189-F250 HydrophobicContact CD2-CE1 3.99Å; L189-P252 HydrophobicContact CD1-CG 4.32Å; L189-I253 HydrophobicContact CD1-CD1 4.26Å; L189-I253 HydrophobicContact CD1-CG1 4.17Å
190K96.9Very high90.9Very high35 Ų3559.2 Ų59.215%0.15235%0.347CS..EExtended strand (participates in β ladder)trans-123.1159.4161.5-65-70.3-174.1159.30109.7Y175 F188 P204 L206 L234 Y236Y175-K190 HydrophobicContact CE2-CG 4.18Å; Y175-K190 WeakPolarHBondContact OH-CE 3.27Å; Y175-K190 PolarHBondContact OH-NZ 2.84Å; F188-K190 HydrophobicContact CD2-CG 4.16Å; F188-K190 HydrophobicContact CE2-CG 4.04Å; K190-P204 CarbonylContact C-O 3.57Å; K190-P204 WeakPolarHBondContact CA-O 3.3Å; K190-P204 HydrophobicContact CD-CB 4.29Å; K190-L206 HydrophobicContact CB-CD1 3.88Å; K190-L206 HydrophobicContact CG-CD1 4.11Å; K190-L234 PolarHBondContact N-O 3.32Å; K190-L234 PolarHBondContact O-N 3.43Å; K190-Y236 HydrophobicContact CB-CE2 4.2Å; K190-Y236 HydrophobicContact CG-CD2 4.2Å; K190-Y236 HydrophobicContact CG-CE2 4.11Å
191A97.8Very high91.7Very high0 Ų056.7 Ų56.70%033%0.331CS..EExtended strand (participates in β ladder)trans-126.6147.2175.500000112.6A201 P204 L205 L206 I231 L232 Y233A191-A201 HydrophobicContact CB-CB 3.91Å; A191-P204 PolarHBondContact N-O 3.42Å; A191-L205 HydrophobicContact CB-CD2 4.05Å; A191-L205 CarbonylContact O-C 3.57Å; A191-L205 WeakPolarHBondContact O-CA 3.34Å; A191-L205 WeakPolarHBondContact O-CD2 3.44Å; A191-L206 PolarHBondContact O-N 3.24Å; A191-I231 HydrophobicContact CB-CD1 4.25Å; A191-I231 HydrophobicContact CB-CG1 4.42Å; A191-L232 CarbonylContact C-O 3.47Å; A191-L232 WeakPolarHBondContact CA-O 3.27Å; A191-Y233 HydrophobicContact CB-CD1 3.97Å; A191-Y233 HydrophobicContact CB-CE1 4.08Å
192L97.5Very high92.6Very high28 Ų2856.5 Ų56.515%0.14733%0.331CS..EExtended strand (participates in β ladder)trans-128.4137.3167.6-170.562.4000108.3N210 V212 L220 I231 L232L192-N210 HydrophobicContact CD1-CB 4.06Å; L192-V212 HydrophobicContact CD2-CG2 3.69Å; L192-L220 HydrophobicContact CB-CD2 4.12Å; L192-L220 HydrophobicContact CD2-CD2 3.55Å; L192-L220 HydrophobicContact CG-CD2 3.76Å; L192-I231 CarbonylContact O-C 3.42Å; L192-L232 PolarHBondContact N-O 2.74Å; L192-L232 PolarHBondContact O-N 3.09Å
193K97.2Very high93.7Very high76 Ų7654 Ų5433%0.3330%0.302SS..EExtended strand (participates in β ladder)trans-135150.5-176.265.7175179172.60111.8F197 L205 A230 I231K193-F197 HydrophobicContact CB-CB 4.12Å; K193-F197 HydrophobicContact CB-CD1 4.31Å; K193-F197 HydrophobicContact CB-CG 4.39Å; K193-F197 HydrophobicContact CD-CB 4.42Å; K193-F197 HydrophobicContact CD-CD1 3.96Å; K193-L205 HydrophobicContact CG-CD2 4.4Å; K193-A230 WeakPolarHBondContact CA-O 2.95Å; K193-I231 HydrophobicContact CB-CB 4.27Å; K193-I231 HydrophobicContact CB-CD1 4.4Å; K193-I231 HydrophobicContact CB-CG1 4.11Å
194T97Very high94.5Very high4 Ų453.4 Ų53.43%0.02530%0.296CS..  trans-68.3158.917057.60000111.2N196 F197 L220 C223 Q224 I228 A230T194-N196 PolarHBondContact O-N 2.95Å; T194-F197 PolarHBondContact O-N 3.28Å; T194-F197 VanDerWaalsContact O-N 3.11Å; T194-F197 PolarHBondContact OG1-N 3.1Å; T194-L220 HydrophobicContact CG2-CD1 3.91Å; T194-C223 HydrophobicContact CG2-CB 3.97Å; T194-Q224 VanDerWaalsContact CA-OE1 3.29Å; T194-Q224 HydrophobicContact CG2-CB 4.14Å; T194-I228 PolarHBondContact OG1-O 3.19Å; T194-A230 HydrophobicContact CG2-CB 3.76Å; T194-A230 PolarHBondContact N-O 2.89Å; T194-A230 PolarHBondContact OG1-N 3.43Å; T194-A230 PolarHBondContact OG1-O 2.9Å
195Q95.9Very high95.2Very high145 Ų14555.6 Ų55.668%0.67831%0.307SS*.THydrogen-bonded Turntrans-61.7-26.8177.2-62.7178.57.600113.2F197 K198Q195-F197 VanDerWaalsContact C-N 3.35Å; Q195-K198 PolarHBondContact O-NZ 3.15Å
196N95.3Very high95.5Very high58 Ų5851.4 Ų51.431%0.3128%0.279SS..THydrogen-bonded Turntrans-81.3-13.7-179.7-75.459.7000113.1T194 K198 K227 P229T194-N196 PolarHBondContact O-N 2.95Å; N196-K198 PolarHBondContact O-N 2.96Å; N196-K227 PolarHBondContact ND2-O 3.41Å; N196-P229 HydrophobicContact CB-CG 4.17Å
197F95.8Very high95.5Very high8 Ų852.9 Ų52.94%0.03528%0.281CS..  trans-81.8110.8177.2-165.9-84000111.3Q163 K193 T194 Q195 D199 P229 A230 I231Q163-F197 HydrophobicContact CG-CD2 4.37Å; Q163-F197 HydrophobicContact CG-CE2 3.96Å; K193-F197 HydrophobicContact CB-CB 4.12Å; K193-F197 HydrophobicContact CB-CD1 4.31Å; K193-F197 HydrophobicContact CB-CG 4.39Å; K193-F197 HydrophobicContact CD-CB 4.42Å; K193-F197 HydrophobicContact CD-CD1 3.96Å; T194-F197 PolarHBondContact O-N 3.28Å; T194-F197 VanDerWaalsContact O-N 3.11Å; T194-F197 PolarHBondContact OG1-N 3.1Å; Q195-F197 VanDerWaalsContact C-N 3.35Å; F197-D199 HydrophobicContact CD1-CB 4.38Å; F197-D199 WeakPolarHBondContact CD1-O 2.9Å; F197-D199 HydrophobicContact CE1-CB 3.63Å; F197-D199 VanDerWaalsContact CE1-O 3.27Å; F197-D199 WeakPolarHBondContact CE1-O 3.34Å; F197-D199 HydrophobicContact CZ-CB 3.98Å; F197-P229 HydrophobicContact CD2-CB 4.32Å; F197-A230 WeakPolarHBondContact CB-O 3.38Å; F197-I231 HydrophobicContact CD1-CB 4.22Å; F197-I231 HydrophobicContact CD1-CD1 4.34Å; F197-I231 HydrophobicContact CD2-CB 3.95Å; F197-I231 HydrophobicContact CD2-CG2 4.15Å; F197-I231 HydrophobicContact CE1-CB 3.99Å; F197-I231 HydrophobicContact CE1-CD1 3.81Å; F197-I231 HydrophobicContact CE1-CG1 4.49Å; F197-I231 HydrophobicContact CE1-CG2 4.16Å; F197-I231 HydrophobicContact CE2-CB 3.69Å; F197-I231 HydrophobicContact CE2-CG2 3.4Å; F197-I231 VanDerWaalsContact CE2-CG2 3.4Å; F197-I231 HydrophobicContact CG-CB 4.19Å; F197-I231 HydrophobicContact CZ-CB 3.73Å; F197-I231 HydrophobicContact CZ-CD1 4.15Å; F197-I231 HydrophobicContact CZ-CG2 3.43Å; F197-I231 VanDerWaalsContact CZ-CG2 3.43Å
198K93.8Very high95.3Very high169 Ų16959.4 Ų59.474%0.73531%0.309SS*.  trans-95.6-23.1-173.1-57.2-51.3-176.1-169.20114.5Q195 N196Q195-K198 PolarHBondContact O-NZ 3.15Å; N196-K198 PolarHBondContact O-N 2.96Å
199D92.4Very high95Very high37 Ų3761.2 Ų61.220%0.19832%0.324CS..SBendtrans-66.7149.7-179.6-62.5-33000111Q163 F197 R257Q163-D199 PolarHBondContact NE2-OD2 3.23Å; F197-D199 HydrophobicContact CD1-CB 4.38Å; F197-D199 WeakPolarHBondContact CD1-O 2.9Å; F197-D199 HydrophobicContact CE1-CB 3.63Å; F197-D199 VanDerWaalsContact CE1-O 3.27Å; F197-D199 WeakPolarHBondContact CE1-O 3.34Å; F197-D199 HydrophobicContact CZ-CB 3.98Å; D199-R257 IonicContact OD1-NH1 3.58Å; D199-R257 IonicContact OD2-NH1 3.88Å
200P92.9Very high94.7Very high111 Ų11163.9 Ų63.972%0.72134%0.338SS*.PPolyproline II helixtrans-69.2146173.828.6-34000111.3
201A94.9Very high94.4Very high30 Ų3066.2 Ų66.225%0.24835%0.352CS..PPolyproline II helixtrans-78.5151.3170.700000110.2A191 C203 L205 I231A191-A201 HydrophobicContact CB-CB 3.91Å; A201-C203 VanDerWaalsContact C-N 3.27Å; A201-C203 WeakPolarHBondContact CB-O 3.47Å; A201-L205 HydrophobicContact CB-CD2 4.17Å; A201-I231 HydrophobicContact CB-CD1 3.86Å
202C94.8Very high94.2Very high51 Ų5167.4 Ų67.435%0.34536%0.359SS..SBendtrans-85.31.4176.162.70000113.4Y233 P252 T256C202-Y233 WeakPolarHBondContact SG-CE1 3.49Å; C202-P252 HydrophobicContact CB-CB 4.45Å; C202-T256 HydrophobicContact CB-CG2 3.94Å
203C95.5Very high94Very high21 Ų2170.7 Ų70.714%0.14237%0.373CS..SBendtrans-145.8165179.258.20000109.7L189 A201L189-C203 HydrophobicContact CB-CB 3.81Å; A201-C203 VanDerWaalsContact C-N 3.27Å; A201-C203 WeakPolarHBondContact CB-O 3.47Å
204P96Very high93.9Very high84 Ų8468.9 Ų68.955%0.54537%0.367SS..PPolyproline II helixtrans-57.6147177.5-24.835.3000112.6K190 A191K190-P204 CarbonylContact C-O 3.57Å; K190-P204 WeakPolarHBondContact CA-O 3.3Å; K190-P204 HydrophobicContact CD-CB 4.29Å; A191-P204 PolarHBondContact N-O 3.42Å
205L96.8Very high93.8Very high85 Ų8568.8 Ų68.845%0.44537%0.367SS..BIsolated β-bridgetrans-71.4155173.7-62.4179.2000110.9A191 K193 A201 E207A191-L205 HydrophobicContact CB-CD2 4.05Å; A191-L205 CarbonylContact O-C 3.57Å; A191-L205 WeakPolarHBondContact O-CA 3.34Å; A191-L205 WeakPolarHBondContact O-CD2 3.44Å; K193-L205 HydrophobicContact CG-CD2 4.4Å; A201-L205 HydrophobicContact CB-CD2 4.17Å; L205-E207 PolarHBondContact O-N 3.46Å
206L95.1Very high93.9Very high15 Ų1562 Ų628%0.07934%0.335CS..PPolyproline II helixtrans-65.6127.3172.2-160.771.2000109.1Y175 K190 A191 N210 V212 L234 Y236Y175-L206 HydrophobicContact CD2-CD1 4.11Å; Y175-L206 HydrophobicContact CE2-CD1 3.79Å; K190-L206 HydrophobicContact CB-CD1 3.88Å; K190-L206 HydrophobicContact CG-CD1 4.11Å; A191-L206 PolarHBondContact O-N 3.24Å; L206-N210 HydrophobicContact CB-CB 4.25Å; L206-N210 HydrophobicContact CD2-CB 3.96Å; L206-N210 HydrophobicContact CG-CB 4.21Å; L206-V212 HydrophobicContact CD2-CG2 4.24Å; L206-L234 HydrophobicContact CD2-CD1 4.29Å; L206-Y236 HydrophobicContact CD1-CE2 3.94Å
207E91.8Very high94Very high73 Ų7360 Ų6034%0.34133%0.327SS..PPolyproline II helixtrans-75.9168.5177.664.6-167.8152.900111.7Y175 T177 L205 P209 N210Y175-E207 PolarHBondContact OH-OE1 3Å; T177-E207 WeakPolarHBondContact CB-OE1 3.28Å; T177-E207 PolarHBondContact OG1-OE1 2.9Å; L205-E207 PolarHBondContact O-N 3.46Å; E207-P209 CarbonylContact O-C 3.58Å; E207-N210 VanDerWaalsContact O-CA 3.25Å; E207-N210 WeakPolarHBondContact O-CA 3.41Å; E207-N210 WeakPolarHBondContact O-CB 3.49Å; E207-N210 PolarHBondContact O-N 3.21Å; E207-N210 VanDerWaalsContact O-N 3.13Å
208Q90.9Very high94Very high169 Ų16960.6 Ų60.679%0.7933%0.333SS*.SBendtrans-77.6134.4174.1-71.7-173.4-10.300110.3
209P89Confident94.2Very high68 Ų6852.6 Ų52.644%0.44230%0.298SS..SBendcis-80.41232.433.4-34.3000112.1K176 E207 I211K176-P209 HydrophobicContact CB-CG 3.83Å; K176-P209 HydrophobicContact CG-CG 4.43Å; E207-P209 CarbonylContact O-C 3.58Å; P209-I211 HydrophobicContact CB-CD1 3.88Å; P209-I211 HydrophobicContact CB-CG1 4.04Å; P209-I211 HydrophobicContact CG-CD1 4.3Å; P209-I211 PolarHBondContact O-N 3.47Å
210N91.6Very high94.4Very high75 Ų7551.6 Ų51.640%0.40129%0.293SS..  trans-86.655.4-173.858-10.6000112L192 L206 E207L192-N210 HydrophobicContact CD1-CB 4.06Å; L206-N210 HydrophobicContact CB-CB 4.25Å; L206-N210 HydrophobicContact CD2-CB 3.96Å; L206-N210 HydrophobicContact CG-CB 4.21Å; E207-N210 VanDerWaalsContact O-CA 3.25Å; E207-N210 WeakPolarHBondContact O-CA 3.41Å; E207-N210 WeakPolarHBondContact O-CB 3.49Å; E207-N210 PolarHBondContact O-N 3.21Å; E207-N210 VanDerWaalsContact O-N 3.13Å
211I91.1Very high94.6Very high84 Ų8449.7 Ų49.743%0.43128%0.282SS..  trans-83.1136.1-173.2-59168.1000110.4P209 H213P209-I211 HydrophobicContact CB-CD1 3.88Å; P209-I211 HydrophobicContact CB-CG1 4.04Å; P209-I211 HydrophobicContact CG-CD1 4.3Å; P209-I211 PolarHBondContact O-N 3.47Å; I211-H213 VanDerWaalsContact CG2-CE1 3.42Å; I211-H213 WeakPolarHBondContact CG2-CE1 3.31Å; I211-H213 WeakPolarHBondContact CG2-NE2 3.2Å
212V93.8Very high94.6Very high24 Ų2449.5 Ų49.515%0.14528%0.275CS..  trans-132.9147.2174.1-173.80000107.7L192 L206 P216 A217 L232 L234L192-V212 HydrophobicContact CD2-CG2 3.69Å; L206-V212 HydrophobicContact CD2-CG2 4.24Å; V212-P216 HydrophobicContact CG1-CB 4.19Å; V212-A217 HydrophobicContact CB-CB 4Å; V212-A217 HydrophobicContact CG1-CB 3.95Å; V212-A217 WeakPolarHBondContact O-CB 3.49Å; V212-L232 HydrophobicContact CB-CD2 4.32Å; V212-L232 HydrophobicContact CG1-CD2 3.58Å; V212-L232 HydrophobicContact CG2-CD2 3.9Å; V212-L234 HydrophobicContact CG1-CD2 4.48Å; V212-L234 HydrophobicContact CG2-CD1 3.87Å
213H92.9Very high94.6Very high97 Ų9747 Ų4745%0.44926%0.259SS..  trans-118.2166.7-178.3-56.7-73000112.6R170 I211 P216R170-H213 PolarHBondContact NH2-O 2.96Å; I211-H213 VanDerWaalsContact CG2-CE1 3.42Å; I211-H213 WeakPolarHBondContact CG2-CE1 3.31Å; I211-H213 WeakPolarHBondContact CG2-NE2 3.2Å; H213-P216 WeakPolarHBondContact O-CD 3.32Å
214D94.6Very high94.6Very high38 Ų3849.1 Ų49.120%0.20327%0.266CS..Hα-helixtrans58-158.1174.7-48.7-39.7000114.8Q146 R170 P216 A217 A218Q146-D214 VanDerWaalsContact OE1-C 3.3Å; R170-D214 IonicContact CZ-OD2 3.77Å; R170-D214 VanDerWaalsContact CZ-OD2 3.22Å; R170-D214 IonicContact NH1-OD2 3.6Å; R170-D214 PolarHBondContact NH1-OD2 3.28Å; R170-D214 IonicContact NH2-OD2 2.77Å; R170-D214 PolarHBondContact NH2-OD2 2.92Å; D214-P216 VanDerWaalsContact C-N 3.32Å; D214-P216 VanDerWaalsContact O-N 3.17Å; D214-A217 WeakPolarHBondContact O-CA 3.5Å; D214-A217 WeakPolarHBondContact O-CB 3.27Å; D214-A217 PolarHBondContact O-N 3.47Å; D214-A218 PolarHBondContact O-N 2.92Å
215L95.9Very high94.6Very high3 Ų350.4 Ų50.42%0.01627%0.273CS..Hα-helixtrans-47-43.2-178.9-176.266.8000114.4I75 V141 Q146 W149 A217 A218 V219I75-L215 HydrophobicContact CD1-CB 4.2Å; I75-L215 HydrophobicContact CD1-CD2 3.81Å; I75-L215 HydrophobicContact CD1-CG 3.87Å; I75-L215 HydrophobicContact CG1-CD2 4.26Å; V141-L215 HydrophobicContact CB-CB 4.37Å; V141-L215 HydrophobicContact CB-CD2 4.35Å; V141-L215 HydrophobicContact CG2-CD2 3.7Å; Q146-L215 HydrophobicContact CG-CB 4.37Å; Q146-L215 HydrophobicContact CG-CD1 4.37Å; W149-L215 HydrophobicContact CD2-CD1 4.08Å; W149-L215 HydrophobicContact CE3-CD1 3.69Å; W149-L215 HydrophobicContact CZ2-CD2 4.5Å; W149-L215 HydrophobicContact CZ3-CD1 4.08Å; L215-A217 VanDerWaalsContact C-N 3.28Å; L215-A217 PolarHBondContact O-N 3.34Å; L215-A218 PolarHBondContact O-N 3.04Å; L215-V219 HydrophobicContact CD1-CG2 4.01Å; L215-V219 HydrophobicContact CG-CG2 4.16Å; L215-V219 VanDerWaalsContact O-CG2 3.26Å; L215-V219 WeakPolarHBondContact O-CG2 3.41Å; L215-V219 PolarHBondContact O-N 2.97Å
216P97.2Very high94.4Very high1 Ų151.9 Ų51.91%0.00627%0.272CS..Hα-helixtrans-56.4-40.7175.5-20.528.7000113.1I75 I166 T168 V212 H213 D214 L220 L232I75-P216 HydrophobicContact CB-CG 4.43Å; I75-P216 HydrophobicContact CD1-CB 4.21Å; I75-P216 HydrophobicContact CD1-CG 3.67Å; I75-P216 HydrophobicContact CG2-CG 4.33Å; I166-P216 HydrophobicContact CG2-CB 4.18Å; T168-P216 HydrophobicContact CG2-CB 4.1Å; T168-P216 HydrophobicContact CG2-CG 3.81Å; V212-P216 HydrophobicContact CG1-CB 4.19Å; H213-P216 WeakPolarHBondContact O-CD 3.32Å; D214-P216 VanDerWaalsContact C-N 3.32Å; D214-P216 VanDerWaalsContact O-N 3.17Å; P216-L220 WeakPolarHBondContact O-CB 3.5Å; P216-L220 PolarHBondContact O-N 3.29Å; P216-L232 HydrophobicContact CB-CD1 4.01Å; P216-L232 HydrophobicContact CB-CD2 4.32Å
217A96.8Very high94.4Very high18 Ų1858.2 Ų58.215%0.14930%0.299CS..Hα-helixtrans-70.4-41.8177.400000111.8V212 D214 L215 L220 S221V212-A217 HydrophobicContact CB-CB 4Å; V212-A217 HydrophobicContact CG1-CB 3.95Å; V212-A217 WeakPolarHBondContact O-CB 3.49Å; D214-A217 WeakPolarHBondContact O-CA 3.5Å; D214-A217 WeakPolarHBondContact O-CB 3.27Å; D214-A217 PolarHBondContact O-N 3.47Å; L215-A217 VanDerWaalsContact C-N 3.28Å; L215-A217 PolarHBondContact O-N 3.34Å; A217-L220 PolarHBondContact O-N 3.27Å; A217-S221 VanDerWaalsContact O-CB 3.25Å; A217-S221 WeakPolarHBondContact O-CB 3.35Å; A217-S221 PolarHBondContact O-N 3.19Å; A217-S221 PolarHBondContact O-OG 3.22Å
218A96.9Very high94.6Very high20 Ų2054.8 Ų54.817%0.16528%0.283CS..Hα-helixtrans-60.4-47.3176.900000111.2Q146 L150 D214 L215 S221 Y222Q146-A218 HydrophobicContact CB-CB 4.2Å; L150-A218 HydrophobicContact CD1-CB 3.9Å; D214-A218 PolarHBondContact O-N 2.92Å; L215-A218 PolarHBondContact O-N 3.04Å; A218-S221 PolarHBondContact O-N 3.42Å; A218-Y222 WeakPolarHBondContact O-CB 3.4Å; A218-Y222 PolarHBondContact O-N 3.34Å
219V97.2Very high94.9Very high0 Ų048.4 Ų48.40%026%0.256CS..Hα-helixtrans-61.8-47.2176.21780000111.1I73 W149 L150 F154 I164 I166 L215 S221 Y222 C223I73-V219 HydrophobicContact CD1-CG1 3.86Å; I73-V219 HydrophobicContact CD1-CG2 4.34Å; W149-V219 HydrophobicContact CZ3-CG2 4.03Å; L150-V219 HydrophobicContact CD2-CB 4.25Å; L150-V219 HydrophobicContact CD2-CG2 3.69Å; F154-V219 HydrophobicContact CE2-CG1 4.25Å; F154-V219 HydrophobicContact CZ-CG1 3.96Å; I164-V219 HydrophobicContact CG2-CG1 4.21Å; I166-V219 HydrophobicContact CD1-CB 3.88Å; I166-V219 HydrophobicContact CD1-CG1 3.56Å; I166-V219 HydrophobicContact CG1-CG1 4.06Å; L215-V219 HydrophobicContact CD1-CG2 4.01Å; L215-V219 HydrophobicContact CG-CG2 4.16Å; L215-V219 VanDerWaalsContact O-CG2 3.26Å; L215-V219 WeakPolarHBondContact O-CG2 3.41Å; L215-V219 PolarHBondContact O-N 2.97Å; V219-S221 VanDerWaalsContact C-N 3.33Å; V219-S221 PolarHBondContact O-N 3.29Å; V219-Y222 PolarHBondContact O-N 3.34Å; V219-C223 PolarHBondContact O-N 3.37Å; V219-C223 PolarHBondContact O-SG 2.62Å
220L97.1Very high95.3Very high16 Ų1645.2 Ų45.28%0.08424%0.235CC..Hα-helixtrans-64.9-39.4-178.4-168.468.5000111.7I166 L192 T194 P216 A217 C223 Q224 A230 L232I166-L220 HydrophobicContact CD1-CB 4.19Å; I166-L220 HydrophobicContact CD1-CD1 4.36Å; L192-L220 HydrophobicContact CB-CD2 4.12Å; L192-L220 HydrophobicContact CD2-CD2 3.55Å; L192-L220 HydrophobicContact CG-CD2 3.76Å; T194-L220 HydrophobicContact CG2-CD1 3.91Å; P216-L220 WeakPolarHBondContact O-CB 3.5Å; P216-L220 PolarHBondContact O-N 3.29Å; A217-L220 PolarHBondContact O-N 3.27Å; L220-C223 PolarHBondContact O-N 3.03Å; L220-Q224 PolarHBondContact O-N 2.61Å; L220-A230 HydrophobicContact CD1-CB 4Å; L220-L232 HydrophobicContact CD1-CB 4.34Å; L220-L232 HydrophobicContact CD2-CB 4.2Å; L220-L232 HydrophobicContact CD2-CD2 4.23Å
221S96.2Very high95.6Very high72 Ų7241.6 Ų41.650%0.50322%0.216SC..Hα-helixtrans-65-45.2176.2-59.60000111.5A217 A218 V219 C223 Q224 V225A217-S221 VanDerWaalsContact O-CB 3.25Å; A217-S221 WeakPolarHBondContact O-CB 3.35Å; A217-S221 PolarHBondContact O-N 3.19Å; A217-S221 PolarHBondContact O-OG 3.22Å; A218-S221 PolarHBondContact O-N 3.42Å; V219-S221 VanDerWaalsContact C-N 3.33Å; V219-S221 PolarHBondContact O-N 3.29Å; S221-C223 VanDerWaalsContact C-N 3.3Å; S221-C223 PolarHBondContact O-N 3.15Å; S221-Q224 PolarHBondContact O-N 3.45Å; S221-Q224 VanDerWaalsContact O-N 3.16Å; S221-V225 WeakPolarHBondContact O-CG2 3.45Å; S221-V225 PolarHBondContact O-N 2.88Å
222Y95.4Very high95.9Very high25 Ų2537.6 Ų37.610%0.09820%0.196CC..Hα-helixtrans-55.4-48.1172.7-178.8-84.7000110.8L150 F154 G155 P158 A218 V219 Q224 V225 W226 I228L150-Y222 HydrophobicContact CB-CD2 4.42Å; L150-Y222 HydrophobicContact CD1-CD2 4.43Å; L150-Y222 HydrophobicContact CD2-CG 4.49Å; F154-Y222 HydrophobicContact CB-CE1 3.68Å; F154-Y222 HydrophobicContact CB-CE2 4.5Å; F154-Y222 WeakPolarHBondContact CB-OH 3.47Å; F154-Y222 HydrophobicContact CD1-CD1 4.32Å; F154-Y222 AromaticContact CD1-CE1 3.87Å; F154-Y222 HydrophobicContact CD1-CE1 3.87Å; F154-Y222 HydrophobicContact CD2-CE1 4.42Å; F154-Y222 HydrophobicContact CG-CD1 4.24Å; F154-Y222 AromaticContact CG-CE1 3.74Å; F154-Y222 HydrophobicContact CG-CE1 3.74Å; G155-Y222 PolarHBondContact O-OH 2.86Å; P158-Y222 HydrophobicContact CB-CE1 3.96Å; P158-Y222 WeakPolarHBondContact CB-OH 3.38Å; P158-Y222 WeakPolarHBondContact CD-OH 3.37Å; P158-Y222 HydrophobicContact CG-CE1 3.89Å; P158-Y222 VanDerWaalsContact CG-OH 3.3Å; P158-Y222 WeakPolarHBondContact CG-OH 3.49Å; A218-Y222 WeakPolarHBondContact O-CB 3.4Å; A218-Y222 PolarHBondContact O-N 3.34Å; V219-Y222 PolarHBondContact O-N 3.34Å; Y222-Q224 VanDerWaalsContact C-N 3.32Å; Y222-Q224 PolarHBondContact O-N 2.82Å; Y222-V225 PolarHBondContact O-N 3.32Å; Y222-W226 AromaticContact CD1-CD1 3.81Å; Y222-W226 AromaticContact CD2-CD1 3.74Å; Y222-W226 AromaticContact CD2-NE1 3.79Å; Y222-W226 AromaticContact CE1-CD1 3.63Å; Y222-W226 HydrophobicContact CE1-CG 4.25Å; Y222-W226 AromaticContact CE2-CD1 3.58Å; Y222-W226 AromaticContact CE2-NE1 3.38Å; Y222-W226 AromaticContact CG-CD1 3.86Å; Y222-W226 AromaticContact CZ-CD1 3.53Å; Y222-W226 AromaticContact CZ-NE1 3.61Å; Y222-W226 VanDerWaalsContact O-CD1 3.23Å; Y222-W226 PolarHBondContact O-N 2.92Å; Y222-I228 HydrophobicContact CD1-CD1 4.29Å; Y222-I228 HydrophobicContact CE1-CD1 3.99Å
223C95.8Very high96.1Very high0 Ų036.6 Ų36.60%019%0.189CC..Hα-helixtrans-61.5-39.8178.2-65.20000112.4T194 V219 L220 S221 K227 I228 A230T194-C223 HydrophobicContact CG2-CB 3.97Å; V219-C223 PolarHBondContact O-N 3.37Å; V219-C223 PolarHBondContact O-SG 2.62Å; L220-C223 PolarHBondContact O-N 3.03Å; S221-C223 VanDerWaalsContact C-N 3.3Å; S221-C223 PolarHBondContact O-N 3.15Å; C223-K227 PolarHBondContact O-N 3.2Å; C223-I228 HydrophobicContact CB-CB 4.05Å; C223-I228 PolarHBondContact O-N 2.81Å; C223-A230 HydrophobicContact CB-CB 3.49Å; C223-A230 VanDerWaalsContact CB-CB 3.49Å
224Q95.4Very high96.3Very high64 Ų6432 Ų3230%0.29917%0.168SC..Hα-helixtrans-64.1-45.5177.5-177.75746.100111.9T194 L220 S221 Y222 K227T194-Q224 VanDerWaalsContact CA-OE1 3.29Å; T194-Q224 HydrophobicContact CG2-CB 4.14Å; L220-Q224 PolarHBondContact O-N 2.61Å; S221-Q224 PolarHBondContact O-N 3.45Å; S221-Q224 VanDerWaalsContact O-N 3.16Å; Y222-Q224 VanDerWaalsContact C-N 3.32Å; Y222-Q224 PolarHBondContact O-N 2.82Å; Q224-K227 PolarHBondContact O-N 3.35Å
225V94.5Very high96.5Very high112 Ų11230.2 Ų30.268%0.67916%0.158SC*.Hα-helixtrans-62-46.2178.3170.80000111S221 Y222 K227S221-V225 WeakPolarHBondContact O-CG2 3.45Å; S221-V225 PolarHBondContact O-N 2.88Å; Y222-V225 PolarHBondContact O-N 3.32Å; V225-K227 PolarHBondContact O-N 2.93Å
226W93.5Very high96.5Very high116 Ų11630.4 Ų30.444%0.43916%0.159SC..THydrogen-bonded Turntrans-84.87.1-177.9-69.1103.5000114.3P158 Y222 I228P158-W226 HydrophobicContact CG-CB 3.68Å; P158-W226 HydrophobicContact CG-CD2 3.47Å; P158-W226 VanDerWaalsContact CG-CD2 3.47Å; P158-W226 HydrophobicContact CG-CE3 3.69Å; P158-W226 HydrophobicContact CG-CG 3.46Å; P158-W226 VanDerWaalsContact CG-CG 3.46Å; P158-W226 HydrophobicContact CG-CZ3 4.45Å; Y222-W226 AromaticContact CD1-CD1 3.81Å; Y222-W226 AromaticContact CD2-CD1 3.74Å; Y222-W226 AromaticContact CD2-NE1 3.79Å; Y222-W226 AromaticContact CE1-CD1 3.63Å; Y222-W226 HydrophobicContact CE1-CG 4.25Å; Y222-W226 AromaticContact CE2-CD1 3.58Å; Y222-W226 AromaticContact CE2-NE1 3.38Å; Y222-W226 AromaticContact CG-CD1 3.86Å; Y222-W226 AromaticContact CZ-CD1 3.53Å; Y222-W226 AromaticContact CZ-NE1 3.61Å; Y222-W226 VanDerWaalsContact O-CD1 3.23Å; Y222-W226 PolarHBondContact O-N 2.92Å; W226-I228 HydrophobicContact CB-CD1 3.9Å; W226-I228 HydrophobicContact CB-CG1 3.89Å; W226-I228 PolarHBondContact O-N 3.33Å
227K95.1Very high96.4Very high148 Ų14830.4 Ų30.464%0.64316%0.159SC*.THydrogen-bonded Turntrans57.331.6179.1-57.6-178.2-178.8179.10113.3N196 C223 Q224 V225N196-K227 PolarHBondContact ND2-O 3.41Å; C223-K227 PolarHBondContact O-N 3.2Å; Q224-K227 PolarHBondContact O-N 3.35Å; V225-K227 PolarHBondContact O-N 2.93Å
228I95.3Very high96.2Very high1 Ų134 Ų341%0.00518%0.176CC..  trans-84.7126.1177.2-54.3172.6000108.6P158 M162 I164 T194 Y222 C223 W226 A230P158-I228 HydrophobicContact CB-CD1 3.65Å; P158-I228 HydrophobicContact CG-CD1 3.96Å; M162-I228 HydrophobicContact CE-CD1 4.41Å; M162-I228 WeakPolarHBondContact O-CG2 3.26Å; I164-I228 HydrophobicContact CG1-CG2 3.8Å; T194-I228 PolarHBondContact OG1-O 3.19Å; Y222-I228 HydrophobicContact CD1-CD1 4.29Å; Y222-I228 HydrophobicContact CE1-CD1 3.99Å; C223-I228 HydrophobicContact CB-CB 4.05Å; C223-I228 PolarHBondContact O-N 2.81Å; W226-I228 HydrophobicContact CB-CD1 3.9Å; W226-I228 HydrophobicContact CB-CG1 3.89Å; W226-I228 PolarHBondContact O-N 3.33Å; I228-A230 PolarHBondContact O-N 3.4Å
229P96.8Very high95.9Very high35 Ų3535.9 Ų35.923%0.22719%0.185CC..  trans-59107.5172.6-22.231.2000111.9M162 Q163 I164 N196 F197M162-P229 WeakPolarHBondContact O-CD 3.14Å; Q163-P229 CarbonylContact C-O 3.6Å; Q163-P229 WeakPolarHBondContact CA-O 3.4Å; I164-P229 PolarHBondContact N-O 2.92Å; N196-P229 HydrophobicContact CB-CG 4.17Å; F197-P229 HydrophobicContact CD2-CB 4.32Å
230A97.6Very high95.5Very high0 Ų040.1 Ų40.10%021%0.206CC..EExtended strand (participates in β ladder)trans-130.7145.5176.900000113.3I164 K193 T194 F197 L220 C223 I228I164-A230 HydrophobicContact CB-CB 3.75Å; I164-A230 HydrophobicContact CG1-CB 4.44Å; I164-A230 HydrophobicContact CG2-CB 4.43Å; I164-A230 WeakPolarHBondContact O-CA 3.44Å; K193-A230 WeakPolarHBondContact CA-O 2.95Å; T194-A230 HydrophobicContact CG2-CB 3.76Å; T194-A230 PolarHBondContact N-O 2.89Å; T194-A230 PolarHBondContact OG1-N 3.43Å; T194-A230 PolarHBondContact OG1-O 2.9Å; F197-A230 WeakPolarHBondContact CB-O 3.38Å; L220-A230 HydrophobicContact CD1-CB 4Å; C223-A230 HydrophobicContact CB-CB 3.49Å; C223-A230 VanDerWaalsContact CB-CB 3.49Å; I228-A230 PolarHBondContact O-N 3.4Å
231I98.2Very high95Very high0 Ų047.6 Ų47.60%024%0.238CC..EExtended strand (participates in β ladder)trans-130.6137.6169.2-171.3161.2000110I164 T165 I166 A191 L192 K193 F197 A201 Y233I164-I231 PolarHBondContact O-N 2.85Å; T165-I231 CarbonylContact C-O 2.98Å; T165-I231 WeakPolarHBondContact CA-O 3.5Å; T165-I231 HydrophobicContact CG2-CG2 4.26Å; I166-I231 PolarHBondContact N-O 2.87Å; A191-I231 HydrophobicContact CB-CD1 4.25Å; A191-I231 HydrophobicContact CB-CG1 4.42Å; L192-I231 CarbonylContact O-C 3.42Å; K193-I231 HydrophobicContact CB-CB 4.27Å; K193-I231 HydrophobicContact CB-CD1 4.4Å; K193-I231 HydrophobicContact CB-CG1 4.11Å; F197-I231 HydrophobicContact CD1-CB 4.22Å; F197-I231 HydrophobicContact CD1-CD1 4.34Å; F197-I231 HydrophobicContact CD2-CB 3.95Å; F197-I231 HydrophobicContact CD2-CG2 4.15Å; F197-I231 HydrophobicContact CE1-CB 3.99Å; F197-I231 HydrophobicContact CE1-CD1 3.81Å; F197-I231 HydrophobicContact CE1-CG1 4.49Å; F197-I231 HydrophobicContact CE1-CG2 4.16Å; F197-I231 HydrophobicContact CE2-CB 3.69Å; F197-I231 HydrophobicContact CE2-CG2 3.4Å; F197-I231 VanDerWaalsContact CE2-CG2 3.4Å; F197-I231 HydrophobicContact CG-CB 4.19Å; F197-I231 HydrophobicContact CZ-CB 3.73Å; F197-I231 HydrophobicContact CZ-CD1 4.15Å; F197-I231 HydrophobicContact CZ-CG2 3.43Å; F197-I231 VanDerWaalsContact CZ-CG2 3.43Å; A201-I231 HydrophobicContact CB-CD1 3.86Å; I231-Y233 HydrophobicContact CD1-CE1 4.07Å; I231-Y233 HydrophobicContact CD1-CE2 4.14Å; I231-Y233 HydrophobicContact CG1-CE2 4.1Å; I231-Y233 HydrophobicContact CG2-CD2 4.46Å; I231-Y233 HydrophobicContact CG2-CE2 3.79Å
232L98.4Very high94.6Very high0 Ų046.2 Ų46.20%023%0.225CC..EExtended strand (participates in β ladder)trans-110129.8172.9167.565.1000108.5I166 T168 A191 L192 V212 P216 L220 L234I166-L232 HydrophobicContact CB-CB 4.29Å; I166-L232 HydrophobicContact CB-CD1 3.65Å; I166-L232 HydrophobicContact CD1-CB 4.41Å; I166-L232 HydrophobicContact CG2-CD1 3.54Å; I166-L232 CarbonylContact O-C 3.52Å; I166-L232 WeakPolarHBondContact O-CA 3.47Å; T168-L232 HydrophobicContact CG2-CD1 3.93Å; A191-L232 CarbonylContact C-O 3.47Å; A191-L232 WeakPolarHBondContact CA-O 3.27Å; L192-L232 PolarHBondContact N-O 2.74Å; L192-L232 PolarHBondContact O-N 3.09Å; V212-L232 HydrophobicContact CB-CD2 4.32Å; V212-L232 HydrophobicContact CG1-CD2 3.58Å; V212-L232 HydrophobicContact CG2-CD2 3.9Å; P216-L232 HydrophobicContact CB-CD1 4.01Å; P216-L232 HydrophobicContact CB-CD2 4.32Å; L220-L232 HydrophobicContact CD1-CB 4.34Å; L220-L232 HydrophobicContact CD2-CB 4.2Å; L220-L232 HydrophobicContact CD2-CD2 4.23Å; L232-L234 HydrophobicContact CD1-CG 4.31Å; L232-L234 HydrophobicContact CD2-CD1 3.8Å; L232-L234 HydrophobicContact CD2-CD2 4.3Å; L232-L234 HydrophobicContact CD2-CG 3.94Å; L232-L234 HydrophobicContact CG-CD1 4.18Å; L232-L234 HydrophobicContact CG-CG 3.94Å
233Y98.3Very high94.3Very high2 Ų246.4 Ų46.41%0.00823%0.227CC..EExtended strand (participates in β ladder)trans-106.7123.1168.1-64.3-80.9000109.4T165 I166 L167 T168 A191 C202 I231 I253 T256T165-Y233 HydrophobicContact CG2-CD2 4.07Å; T165-Y233 HydrophobicContact CG2-CE2 4.01Å; I166-Y233 PolarHBondContact O-N 3.4Å; L167-Y233 HydrophobicContact CD2-CD2 3.71Å; L167-Y233 HydrophobicContact CD2-CG 4.2Å; T168-Y233 PolarHBondContact N-O 3.35Å; A191-Y233 HydrophobicContact CB-CD1 3.97Å; A191-Y233 HydrophobicContact CB-CE1 4.08Å; C202-Y233 WeakPolarHBondContact SG-CE1 3.49Å; I231-Y233 HydrophobicContact CD1-CE1 4.07Å; I231-Y233 HydrophobicContact CD1-CE2 4.14Å; I231-Y233 HydrophobicContact CG1-CE2 4.1Å; I231-Y233 HydrophobicContact CG2-CD2 4.46Å; I231-Y233 HydrophobicContact CG2-CE2 3.79Å; Y233-I253 HydrophobicContact CD1-CD1 3.93Å; Y233-I253 HydrophobicContact CD1-CG1 4.11Å; Y233-I253 HydrophobicContact CD2-CD1 3.8Å; Y233-I253 HydrophobicContact CD2-CG1 4.3Å; Y233-I253 HydrophobicContact CD2-CG2 4.3Å; Y233-I253 HydrophobicContact CE1-CG1 4.32Å; Y233-I253 HydrophobicContact CE2-CD1 4.44Å; Y233-I253 HydrophobicContact CE2-CG1 4.48Å; Y233-I253 HydrophobicContact CE2-CG2 4.13Å; Y233-I253 HydrophobicContact CG-CD1 3.49Å; Y233-I253 VanDerWaalsContact CG-CD1 3.49Å; Y233-I253 HydrophobicContact CG-CG1 4.09Å; Y233-T256 WeakPolarHBondContact OH-CG2 3.37Å
234L96.9Very high94.1Very high1 Ų149.2 Ų49.21%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-110.1117.6-179.8-75.1153.4000108.6T168 R170 L189 K190 L206 V212 L232 Y236T168-L234 HydrophobicContact CG2-CD2 3.39Å; T168-L234 HydrophobicContact CG2-CG 4.3Å; R170-L234 HydrophobicContact CG-CD2 4.02Å; L189-L234 CarbonylContact C-O 3.51Å; L189-L234 WeakPolarHBondContact CA-O 3.05Å; K190-L234 PolarHBondContact N-O 3.32Å; K190-L234 PolarHBondContact O-N 3.43Å; L206-L234 HydrophobicContact CD2-CD1 4.29Å; V212-L234 HydrophobicContact CG1-CD2 4.48Å; V212-L234 HydrophobicContact CG2-CD1 3.87Å; L232-L234 HydrophobicContact CD1-CG 4.31Å; L232-L234 HydrophobicContact CD2-CD1 3.8Å; L232-L234 HydrophobicContact CD2-CD2 4.3Å; L232-L234 HydrophobicContact CD2-CG 3.94Å; L232-L234 HydrophobicContact CG-CD1 4.18Å; L232-L234 HydrophobicContact CG-CG 3.94Å; L234-Y236 HydrophobicContact CB-CE2 4.11Å
235C97.3Very high94Very high0 Ų051.7 Ų51.70%026%0.256CS..EExtended strand (participates in β ladder)trans-94.1111.2168.9-171.50000109T168 C169 R170 F188 L189 F250T168-C235 PolarHBondContact O-N 2.66Å; C169-C235 CarbonylContact C-O 3.43Å; C169-C235 WeakPolarHBondContact CA-O 3.37Å; R170-C235 PolarHBondContact N-O 3.03Å; F188-C235 WeakPolarHBondContact O-CA 3.08Å; L189-C235 HydrophobicContact CD2-CB 3.78Å; C235-F250 HydrophobicContact CB-CD2 4.47Å; C235-F250 HydrophobicContact CB-CE1 3.79Å; C235-F250 HydrophobicContact CB-CE2 3.68Å; C235-F250 HydrophobicContact CB-CZ 3.29Å
236Y95.8Very high94Very high7 Ų746.3 Ų46.33%0.02722%0.224CC..EExtended strand (participates in β ladder)trans-83.9126.6171.3-71.9-78.7000108.9R170 H171 D174 Y175 P187 F188 K190 L206 L234R170-Y236 HydrophobicContact CB-CD1 3.87Å; R170-Y236 HydrophobicContact CB-CE1 3.75Å; R170-Y236 WeakPolarHBondContact O-CA 3.23Å; H171-Y236 WeakPolarHBondContact O-CD1 3.46Å; D174-Y236 HydrophobicContact CB-CE1 4.44Å; Y175-Y236 AromaticContact CD2-CD2 3.99Å; Y175-Y236 HydrophobicContact CD2-CD2 3.99Å; Y175-Y236 HydrophobicContact CD2-CE1 4.19Å; Y175-Y236 AromaticContact CD2-CE2 3.54Å; Y175-Y236 HydrophobicContact CD2-CE2 3.54Å; Y175-Y236 HydrophobicContact CD2-CG 4.48Å; Y175-Y236 AromaticContact CD2-CZ 3.65Å; Y175-Y236 HydrophobicContact CE2-CE2 4.23Å; Y175-Y236 HydrophobicContact CG-CD1 4.5Å; Y175-Y236 HydrophobicContact CG-CD2 4.4Å; Y175-Y236 HydrophobicContact CG-CE1 4.39Å; Y175-Y236 HydrophobicContact CG-CE2 4.3Å; Y175-Y236 HydrophobicContact CG-CG 4.48Å; P187-Y236 CarbonylContact C-O 3.51Å; P187-Y236 WeakPolarHBondContact CA-O 3.34Å; P187-Y236 WeakPolarHBondContact CB-O 3.28Å; F188-Y236 HydrophobicContact CD2-CD2 4.37Å; F188-Y236 HydrophobicContact CE1-CG 4.49Å; F188-Y236 AromaticContact CE2-CD2 3.73Å; F188-Y236 HydrophobicContact CE2-CD2 3.73Å; F188-Y236 HydrophobicContact CE2-CG 4.12Å; F188-Y236 HydrophobicContact CZ-CD2 4.03Å; F188-Y236 AromaticContact CZ-CG 3.95Å; F188-Y236 HydrophobicContact CZ-CG 3.95Å; F188-Y236 PolarHBondContact N-O 3.2Å; F188-Y236 PolarHBondContact O-N 3.1Å; K190-Y236 HydrophobicContact CB-CE2 4.2Å; K190-Y236 HydrophobicContact CG-CD2 4.2Å; K190-Y236 HydrophobicContact CG-CE2 4.11Å; L206-Y236 HydrophobicContact CD1-CE2 3.94Å; L234-Y236 HydrophobicContact CB-CE2 4.11Å
237T95.3Very high94.1Very high1 Ų140.8 Ų40.81%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-140.1151.4-176.7-177.40000110.3R170 H171 V172 S186 V239 M240 T246R170-T237 PolarHBondContact O-N 2.86Å; H171-T237 CarbonylContact C-O 3.43Å; H171-T237 WeakPolarHBondContact CA-O 3.21Å; H171-T237 PolarHBondContact CD2-O 3.13Å; V172-T237 PolarHBondContact N-O 3.27Å; S186-T237 WeakPolarHBondContact OG-CA 3.3Å; T237-V239 VanDerWaalsContact C-N 3.32Å; T237-V239 WeakPolarHBondContact CG2-O 3.36Å; T237-V239 PolarHBondContact OG1-N 2.64Å; T237-V239 VanDerWaalsContact OG1-N 3.11Å; T237-V239 PolarHBondContact OG1-O 3.27Å; T237-M240 HydrophobicContact CG2-SD 3.95Å; T237-T246 WeakPolarHBondContact CB-OG1 3.33Å; T237-T246 HydrophobicContact CG2-CG2 3.84Å; T237-T246 PolarHBondContact OG1-OG1 3.29Å
238D92.8Very high94Very high94 Ų9436.9 Ų36.950%0.50319%0.187SC..SBendtrans-84.3-10.5169.456.3-29.6000112.1H171 V172 S186H171-D238 PolarHBondContact NE2-O 2.98Å; V172-D238 HydrophobicContact CG1-CB 4.27Å; S186-D238 PolarHBondContact OG-N 3.49Å; S186-D238 PolarHBondContact OG-OD1 3.28Å
239V90.8Very high94Very high60 Ų6037.8 Ų37.836%0.36419%0.194SC..  trans-118.8102.2177.8-176.10000110T237 K241 D243T237-V239 VanDerWaalsContact C-N 3.32Å; T237-V239 WeakPolarHBondContact CG2-O 3.36Å; T237-V239 PolarHBondContact OG1-N 2.64Å; T237-V239 VanDerWaalsContact OG1-N 3.11Å; T237-V239 PolarHBondContact OG1-O 3.27Å; V239-K241 VanDerWaalsContact C-N 3.31Å; V239-K241 HydrophobicContact CG1-CB 4.18Å; V239-D243 HydrophobicContact CG1-CB 4.25Å
240M88.4Confident94Very high89 Ų8936.1 Ų36.144%0.43818%0.183SC..  trans-80.4-14.7178.4-65.4-67.1-104.400113.5H171 T237H171-M240 HydrophobicContact CB-CE 3.86Å; H171-M240 HydrophobicContact CB-CG 4.03Å; H171-M240 HydrophobicContact CB-SD 3.98Å; H171-M240 PolarHBondContact N-SD 2.86Å; T237-M240 HydrophobicContact CG2-SD 3.95Å
241K88.1Confident93.9Very high173 Ų17339.2 Ų39.275%0.75220%0.197SC*.SBendtrans-68161.8170.4-68.2-172.9178.9-176.70109.7N78 V239 D243N78-K241 PolarHBondContact ND2-O 2.77Å; V239-K241 VanDerWaalsContact C-N 3.31Å; V239-K241 HydrophobicContact CG1-CB 4.18Å; K241-D243 PolarHBondContact O-N 3.33Å
242L87.6Confident93.7Very high43 Ų4342.2 Ų42.223%0.22522%0.217CC..  trans-64.1122.5175179.570.5000109.2N77 N78 A81 V247 M277 N280N77-L242 HydrophobicContact CB-CB 4.35Å; N77-L242 HydrophobicContact CB-CD1 4.4Å; N78-L242 WeakPolarHBondContact OD1-CA 3.34Å; N78-L242 WeakPolarHBondContact OD1-CD1 3.48Å; A81-L242 HydrophobicContact CB-CD1 3.51Å; L242-V247 HydrophobicContact CD1-CG2 4.13Å; L242-M277 HydrophobicContact CD1-CE 3.55Å; L242-M277 HydrophobicContact CD1-SD 4.29Å; L242-M277 HydrophobicContact CD2-CE 4.09Å; L242-M277 HydrophobicContact CD2-SD 3.88Å; L242-M277 HydrophobicContact CG-CE 3.58Å; L242-M277 HydrophobicContact CG-SD 3.62Å; L242-N280 HydrophobicContact CD2-CB 4.3Å; L242-N280 WeakPolarHBondContact CD2-ND2 3.29Å
243D89.4Confident93.6Very high28 Ų2842.2 Ų42.215%0.1522%0.217CC..  trans-147.2154.1178.578-67.1000111.7N78 V239 K241 I245 T246 V247N78-D243 PolarHBondContact OD1-N 3.34Å; N78-D243 PolarHBondContact OD1-O 2.87Å; V239-D243 HydrophobicContact CG1-CB 4.25Å; K241-D243 PolarHBondContact O-N 3.33Å; D243-I245 VanDerWaalsContact C-N 3.35Å; D243-I245 PolarHBondContact O-N 3.35Å; D243-I245 WeakPolarHBondContact OD2-CB 3.15Å; D243-I245 PolarHBondContact OD2-N 3Å; D243-I245 VanDerWaalsContact OD2-N 3.09Å; D243-T246 VanDerWaalsContact CG-OG1 3.29Å; D243-T246 WeakPolarHBondContact OD1-CB 3.45Å; D243-T246 PolarHBondContact OD1-OG1 3.06Å; D243-T246 PolarHBondContact OD2-N 3.27Å; D243-T246 PolarHBondContact OD2-OG1 3.44Å; D243-V247 VanDerWaalsContact O-CG2 3.27Å; D243-V247 WeakPolarHBondContact O-CG2 3.07Å; D243-V247 PolarHBondContact O-N 3.36Å
244L91.2Very high93.3Very high60 Ų6042.9 Ų42.931%0.31422%0.22SC..Hα-helixtrans-64.3-40.1-176.5-177.962.3000112V247 E248 L273L244-V247 PolarHBondContact O-N 2.98Å; L244-E248 HydrophobicContact CD1-CG 4.04Å; L244-E248 HydrophobicContact CG-CG 4.27Å; L244-E248 WeakPolarHBondContact O-CB 3.36Å; L244-E248 VanDerWaalsContact O-CG 3.27Å; L244-E248 WeakPolarHBondContact O-CG 3.4Å; L244-E248 PolarHBondContact O-N 3.33Å; L244-L273 HydrophobicContact CD1-CD2 3.37Å; L244-L273 HydrophobicContact CD1-CG 3.66Å
245I93.3Very high93Very high115 Ų11547.4 Ų47.459%0.5925%0.252SS*.Hα-helixtrans-67.7-46.6-171.4-53.3177.7000109.8P187 D243 V247 E248 A249P187-I245 HydrophobicContact CG-CG2 3.83Å; D243-I245 VanDerWaalsContact C-N 3.35Å; D243-I245 PolarHBondContact O-N 3.35Å; D243-I245 WeakPolarHBondContact OD2-CB 3.15Å; D243-I245 PolarHBondContact OD2-N 3Å; D243-I245 VanDerWaalsContact OD2-N 3.09Å; I245-V247 PolarHBondContact O-N 3.27Å; I245-E248 PolarHBondContact O-N 3.21Å; I245-A249 PolarHBondContact O-N 3.07Å; I245-A249 VanDerWaalsContact O-N 3.08Å
246T95.1Very high92.8Very high0 Ų048.2 Ų48.20%026%0.257CS..Hα-helixtrans-63.5-40175.9-54.80000112.2N78 T237 D243 E248 A249 F250N78-T246 HydrophobicContact CB-CG2 3.97Å; T237-T246 WeakPolarHBondContact CB-OG1 3.33Å; T237-T246 HydrophobicContact CG2-CG2 3.84Å; T237-T246 PolarHBondContact OG1-OG1 3.29Å; D243-T246 VanDerWaalsContact CG-OG1 3.29Å; D243-T246 WeakPolarHBondContact OD1-CB 3.45Å; D243-T246 PolarHBondContact OD1-OG1 3.06Å; D243-T246 PolarHBondContact OD2-N 3.27Å; D243-T246 PolarHBondContact OD2-OG1 3.44Å; T246-E248 VanDerWaalsContact C-N 3.34Å; T246-A249 WeakPolarHBondContact O-CB 3.29Å; T246-A249 PolarHBondContact O-N 3.08Å; T246-F250 WeakPolarHBondContact O-CD2 3.24Å
247V94.4Very high92.4Very high0 Ų056.3 Ų56.30%029%0.287CS..Hα-helixtrans-63.4-43176.4174.90000111.1N78 A81 F82 F86 L242 D243 L244 I245 A249 F250 L273 M277N78-V247 HydrophobicContact CB-CG2 4.16Å; N78-V247 WeakPolarHBondContact OD1-CG2 3.34Å; A81-V247 HydrophobicContact CB-CG2 4.04Å; F82-V247 HydrophobicContact CB-CG1 3.9Å; F82-V247 HydrophobicContact CD2-CG1 4.29Å; F86-V247 HydrophobicContact CE2-CG1 4.36Å; L242-V247 HydrophobicContact CD1-CG2 4.13Å; D243-V247 VanDerWaalsContact O-CG2 3.27Å; D243-V247 WeakPolarHBondContact O-CG2 3.07Å; D243-V247 PolarHBondContact O-N 3.36Å; L244-V247 PolarHBondContact O-N 2.98Å; I245-V247 PolarHBondContact O-N 3.27Å; V247-A249 PolarHBondContact O-N 2.72Å; V247-F250 PolarHBondContact O-N 3.24Å; V247-L273 HydrophobicContact CB-CD1 4.26Å; V247-L273 HydrophobicContact CB-CD2 4.06Å; V247-L273 HydrophobicContact CG1-CD1 3.69Å; V247-L273 HydrophobicContact CG1-CD2 3.44Å; V247-L273 VanDerWaalsContact CG1-CD2 3.44Å; V247-L273 HydrophobicContact CG1-CG 4.22Å; V247-L273 HydrophobicContact CG2-CD1 4.32Å; V247-M277 HydrophobicContact CB-CE 4.44Å; V247-M277 HydrophobicContact CG2-CE 3.71Å
248E93.6Very high92Very high65 Ų6556.5 Ų56.530%0.30429%0.289SS..Hα-helixtrans-66.7-26.1179.2-70.5-156.1154.500113.2L244 I245 T246 F250 K251 L273L244-E248 HydrophobicContact CD1-CG 4.04Å; L244-E248 HydrophobicContact CG-CG 4.27Å; L244-E248 WeakPolarHBondContact O-CB 3.36Å; L244-E248 VanDerWaalsContact O-CG 3.27Å; L244-E248 WeakPolarHBondContact O-CG 3.4Å; L244-E248 PolarHBondContact O-N 3.33Å; I245-E248 PolarHBondContact O-N 3.21Å; T246-E248 VanDerWaalsContact C-N 3.34Å; E248-F250 PolarHBondContact O-N 3.38Å; E248-F250 VanDerWaalsContact O-N 3.12Å; E248-K251 HydrophobicContact CB-CD 4.2Å; E248-K251 HydrophobicContact CG-CD 4.46Å; E248-K251 VanDerWaalsContact O-CB 3.23Å; E248-K251 WeakPolarHBondContact O-CB 2.89Å; E248-K251 WeakPolarHBondContact O-CG 3.25Å; E248-K251 PolarHBondContact O-N 2.86Å; E248-K251 IonicContact OE1-NZ 2.81Å; E248-K251 PolarHBondContact OE1-NZ 3.11Å; E248-K251 IonicContact OE2-NZ 3.94Å; E248-K251 PolarHBondContact OE2-NZ 3.02Å; E248-L273 HydrophobicContact CG-CD2 4.49Å
249A95.9Very high91.8Very high20 Ų2052 Ų5217%0.16527%0.265CS..Hα-helixtrans-58.3-24.717500000113P187 L189 I245 T246 V247 K251 P252P187-A249 HydrophobicContact CB-CB 4.12Å; P187-A249 HydrophobicContact CG-CB 3.85Å; L189-A249 WeakPolarHBondContact CD1-O 3.44Å; L189-A249 WeakPolarHBondContact CG-O 3.47Å; I245-A249 PolarHBondContact O-N 3.07Å; I245-A249 VanDerWaalsContact O-N 3.08Å; T246-A249 WeakPolarHBondContact O-CB 3.29Å; T246-A249 PolarHBondContact O-N 3.08Å; V247-A249 PolarHBondContact O-N 2.72Å; A249-K251 VanDerWaalsContact C-N 3.34Å; A249-P252 WeakPolarHBondContact O-CD 3.49Å
250F96.3Very high91.5Very high0 Ų056.7 Ų56.70%028%0.28CS..THydrogen-bonded Turntrans-78.1-10.4176-68.9-80.6000114.4A79 F82 L167 T168 C169 L189 C235 T246 V247 E248 P252 I253A79-F250 HydrophobicContact CB-CZ 4.26Å; F82-F250 HydrophobicContact CB-CB 4.38Å; F82-F250 HydrophobicContact CB-CD2 4.39Å; F82-F250 HydrophobicContact CD1-CB 3.8Å; F82-F250 HydrophobicContact CD1-CG 4.37Å; F82-F250 HydrophobicContact CD2-CB 3.49Å; F82-F250 VanDerWaalsContact CD2-CB 3.49Å; F82-F250 HydrophobicContact CD2-CG 4.49Å; F82-F250 HydrophobicContact CE1-CB 3.83Å; F82-F250 HydrophobicContact CE2-CB 3.53Å; F82-F250 HydrophobicContact CG-CB 3.61Å; F82-F250 HydrophobicContact CG-CD2 4.49Å; F82-F250 HydrophobicContact CG-CG 4.23Å; F82-F250 HydrophobicContact CZ-CB 3.67Å; F82-F250 VanDerWaalsContact CZ-O 3.25Å; F82-F250 WeakPolarHBondContact CZ-O 3.45Å; L167-F250 HydrophobicContact CB-CE1 4.29Å; T168-F250 WeakPolarHBondContact O-CZ 3.19Å; C169-F250 VanDerWaalsContact SG-CE2 3.53Å; C169-F250 VanDerWaalsContact SG-CZ 3.52Å; L189-F250 HydrophobicContact CD2-CD1 3.86Å; L189-F250 HydrophobicContact CD2-CE1 3.99Å; C235-F250 HydrophobicContact CB-CD2 4.47Å; C235-F250 HydrophobicContact CB-CE1 3.79Å; C235-F250 HydrophobicContact CB-CE2 3.68Å; C235-F250 HydrophobicContact CB-CZ 3.29Å; T246-F250 WeakPolarHBondContact O-CD2 3.24Å; V247-F250 PolarHBondContact O-N 3.24Å; E248-F250 PolarHBondContact O-N 3.38Å; E248-F250 VanDerWaalsContact O-N 3.12Å; F250-P252 VanDerWaalsContact C-N 3.32Å; F250-P252 VanDerWaalsContact O-N 3.13Å; F250-I253 HydrophobicContact CB-CD1 4.35Å; F250-I253 HydrophobicContact CD1-CD1 3.63Å; F250-I253 HydrophobicContact CG-CD1 4.48Å; F250-I253 VanDerWaalsContact O-CB 3.25Å; F250-I253 WeakPolarHBondContact O-CB 3.31Å; F250-I253 WeakPolarHBondContact O-CG1 3.21Å; F250-I253 PolarHBondContact O-N 3.27Å
251K94.4Very high91.3Very high66 Ų6656 Ų5629%0.28730%0.296SS..G310 helixtrans-48.6-39-178.3-78.5173.9179170.60115.1F86 E248 A249 I253 L254F86-K251 HydrophobicContact CZ-CG 4.43Å; E248-K251 HydrophobicContact CB-CD 4.2Å; E248-K251 HydrophobicContact CG-CD 4.46Å; E248-K251 VanDerWaalsContact O-CB 3.23Å; E248-K251 WeakPolarHBondContact O-CB 2.89Å; E248-K251 WeakPolarHBondContact O-CG 3.25Å; E248-K251 PolarHBondContact O-N 2.86Å; E248-K251 IonicContact OE1-NZ 2.81Å; E248-K251 PolarHBondContact OE1-NZ 3.11Å; E248-K251 IonicContact OE2-NZ 3.94Å; E248-K251 PolarHBondContact OE2-NZ 3.02Å; A249-K251 VanDerWaalsContact C-N 3.34Å; K251-I253 PolarHBondContact O-N 2.58Å; K251-L254 HydrophobicContact CG-CD1 4.47Å; K251-L254 VanDerWaalsContact O-CB 3.3Å; K251-L254 WeakPolarHBondContact O-CB 3.46Å; K251-L254 VanDerWaalsContact O-CG 3.31Å; K251-L254 WeakPolarHBondContact O-CG 3.19Å; K251-L254 PolarHBondContact O-N 3.49Å
252P95.1Very high91.2Very high63 Ų6348.8 Ų48.841%0.40927%0.265SS..G310 helixtrans-56-27.1177.6-2736.9000113.8L189 C202 A249 F250 L254 S255L189-P252 HydrophobicContact CD1-CG 4.32Å; C202-P252 HydrophobicContact CB-CB 4.45Å; A249-P252 WeakPolarHBondContact O-CD 3.49Å; F250-P252 VanDerWaalsContact C-N 3.32Å; F250-P252 VanDerWaalsContact O-N 3.13Å; P252-L254 VanDerWaalsContact C-N 3.26Å; P252-L254 PolarHBondContact O-N 3.38Å; P252-S255 PolarHBondContact O-N 2.85Å
253I95.3Very high91Very high0 Ų048 Ų480%026%0.263CS..G310 helixtrans-69.4-24.8-178.9-57.1176.4000111.8L167 L189 Y233 F250 K251 S255 T256 L259L167-I253 HydrophobicContact CD2-CD1 3.6Å; L167-I253 HydrophobicContact CD2-CG2 4.22Å; L189-I253 HydrophobicContact CD1-CD1 4.26Å; L189-I253 HydrophobicContact CD1-CG1 4.17Å; Y233-I253 HydrophobicContact CD1-CD1 3.93Å; Y233-I253 HydrophobicContact CD1-CG1 4.11Å; Y233-I253 HydrophobicContact CD2-CD1 3.8Å; Y233-I253 HydrophobicContact CD2-CG1 4.3Å; Y233-I253 HydrophobicContact CD2-CG2 4.3Å; Y233-I253 HydrophobicContact CE1-CG1 4.32Å; Y233-I253 HydrophobicContact CE2-CD1 4.44Å; Y233-I253 HydrophobicContact CE2-CG1 4.48Å; Y233-I253 HydrophobicContact CE2-CG2 4.13Å; Y233-I253 HydrophobicContact CG-CD1 3.49Å; Y233-I253 VanDerWaalsContact CG-CD1 3.49Å; Y233-I253 HydrophobicContact CG-CG1 4.09Å; F250-I253 HydrophobicContact CB-CD1 4.35Å; F250-I253 HydrophobicContact CD1-CD1 3.63Å; F250-I253 HydrophobicContact CG-CD1 4.48Å; F250-I253 VanDerWaalsContact O-CB 3.25Å; F250-I253 WeakPolarHBondContact O-CB 3.31Å; F250-I253 WeakPolarHBondContact O-CG1 3.21Å; F250-I253 PolarHBondContact O-N 3.27Å; K251-I253 PolarHBondContact O-N 2.58Å; I253-S255 PolarHBondContact O-N 3.09Å; I253-S255 VanDerWaalsContact O-N 3.14Å; I253-T256 HydrophobicContact CG2-CG2 4.3Å; I253-T256 WeakPolarHBondContact O-CB 3.18Å; I253-T256 WeakPolarHBondContact O-CG2 3.47Å; I253-T256 PolarHBondContact O-N 3.44Å; I253-T256 PolarHBondContact O-OG1 3.08Å; I253-L259 HydrophobicContact CG2-CD1 3.7Å; I253-L259 HydrophobicContact CG2-CD2 4.23Å
254L92.9Very high90.2Very high16 Ų1652.5 Ų52.58%0.08428%0.281CS..G310 helixtrans-59-27.7177.1-59.4176000112.2F82 F86 K251 P252 T256 L259 K260 V263F82-L254 HydrophobicContact CE1-CD2 4.16Å; F82-L254 HydrophobicContact CE2-CD1 4.38Å; F82-L254 HydrophobicContact CE2-CD2 3.96Å; F82-L254 HydrophobicContact CE2-CG 4.12Å; F82-L254 HydrophobicContact CZ-CD1 4.47Å; F82-L254 HydrophobicContact CZ-CD2 3.39Å; F82-L254 HydrophobicContact CZ-CG 3.73Å; F86-L254 HydrophobicContact CB-CD1 4.35Å; F86-L254 HydrophobicContact CB-CD2 3.7Å; F86-L254 HydrophobicContact CD1-CD1 3.79Å; F86-L254 HydrophobicContact CE1-CD1 4.35Å; F86-L254 HydrophobicContact CG-CD1 4.14Å; F86-L254 HydrophobicContact CG-CD2 4.29Å; K251-L254 HydrophobicContact CG-CD1 4.47Å; K251-L254 VanDerWaalsContact O-CB 3.3Å; K251-L254 WeakPolarHBondContact O-CB 3.46Å; K251-L254 VanDerWaalsContact O-CG 3.31Å; K251-L254 WeakPolarHBondContact O-CG 3.19Å; K251-L254 PolarHBondContact O-N 3.49Å; P252-L254 VanDerWaalsContact C-N 3.26Å; P252-L254 PolarHBondContact O-N 3.38Å; L254-T256 VanDerWaalsContact C-N 3.35Å; L254-L259 HydrophobicContact CD2-CD2 4.29Å; L254-K260 WeakPolarHBondContact O-CA 3.37Å; L254-K260 PolarHBondContact O-N 3.49Å; L254-V263 HydrophobicContact CB-CG2 4.09Å; L254-V263 HydrophobicContact CD2-CG1 4.38Å; L254-V263 HydrophobicContact CD2-CG2 3.47Å; L254-V263 VanDerWaalsContact CD2-CG2 3.47Å; L254-V263 HydrophobicContact CG-CG2 4.3Å
255S91.2Very high89.3Confident96 Ų9653.4 Ų53.467%0.67129%0.286SS*.G310 helixtrans-82.9-9.2179-610000113.8P252 I253P252-S255 PolarHBondContact O-N 2.85Å; I253-S255 PolarHBondContact O-N 3.09Å; I253-S255 VanDerWaalsContact O-N 3.14Å
256T91.9Very high88.5Confident17 Ų1752.7 Ų52.710%0.10428%0.282CS..SBendtrans-72.9156.3-177.966.70000111.9C202 Y233 I253 L254 S258 L259 K260C202-T256 HydrophobicContact CB-CG2 3.94Å; Y233-T256 WeakPolarHBondContact OH-CG2 3.37Å; I253-T256 HydrophobicContact CG2-CG2 4.3Å; I253-T256 WeakPolarHBondContact O-CB 3.18Å; I253-T256 WeakPolarHBondContact O-CG2 3.47Å; I253-T256 PolarHBondContact O-N 3.44Å; I253-T256 PolarHBondContact O-OG1 3.08Å; L254-T256 VanDerWaalsContact C-N 3.35Å; T256-S258 PolarHBondContact O-N 3.09Å; T256-S258 VanDerWaalsContact O-N 3.13Å; T256-L259 PolarHBondContact O-N 2.69Å; T256-L259 VanDerWaalsContact O-N 3.08Å; T256-K260 VanDerWaalsContact O-CB 3.24Å; T256-K260 WeakPolarHBondContact O-CB 3.44Å; T256-K260 PolarHBondContact O-N 2.65Å
257R87.9Confident87.6Confident176 Ų17656.2 Ų56.266%0.66431%0.307SS*.THydrogen-bonded Turntrans-58.1-27.9177.8-168.7-177.9-177.1-170.20.3113.3K70 D199K70-R257 PolarHBondContact NZ-O 2.94Å; K70-R257 VanDerWaalsContact NZ-O 3.13Å; D199-R257 IonicContact OD1-NH1 3.58Å; D199-R257 IonicContact OD2-NH1 3.88Å
258S85.4Confident86.9Confident5 Ų561 Ų614%0.03533%0.329CS..THydrogen-bonded Turntrans-65.7-41.9176.8-61.30000111.9T165 T256T165-S258 WeakPolarHBondContact OG1-CB 3.43Å; T165-S258 PolarHBondContact OG1-OG 3.2Å; T256-S258 PolarHBondContact O-N 3.09Å; T256-S258 VanDerWaalsContact O-N 3.13Å
259L89.3Confident86.3Confident0 Ų057.9 Ų57.90%032%0.315CS..THydrogen-bonded Turntrans-110.6-21.5-171.9-76.283.3000115.8I72 F82 L83 V87 T165 I253 L254 T256 G261 L262 V263I72-L259 HydrophobicContact CD1-CD1 4.36Å; I72-L259 HydrophobicContact CD1-CG 4.37Å; F82-L259 HydrophobicContact CE1-CD2 4.16Å; L83-L259 HydrophobicContact CD2-CD2 4.16Å; V87-L259 HydrophobicContact CG2-CD2 3.78Å; T165-L259 HydrophobicContact CG2-CD1 4.38Å; I253-L259 HydrophobicContact CG2-CD1 3.7Å; I253-L259 HydrophobicContact CG2-CD2 4.23Å; L254-L259 HydrophobicContact CD2-CD2 4.29Å; T256-L259 PolarHBondContact O-N 2.69Å; T256-L259 VanDerWaalsContact O-N 3.08Å; L259-G261 PolarHBondContact O-N 3.13Å; L259-L262 PolarHBondContact O-N 3.13Å; L259-V263 HydrophobicContact CB-CG2 4.42Å; L259-V263 PolarHBondContact O-N 3.22Å
260K85.6Confident85.7Confident159 Ų15958.6 Ų58.669%0.69132%0.317SS*.THydrogen-bonded Turntrans-52.1-31.7-171.3-176.3176.8-179.9179.40115L254 T256L254-K260 WeakPolarHBondContact O-CA 3.37Å; L254-K260 PolarHBondContact O-N 3.49Å; T256-K260 VanDerWaalsContact O-CB 3.24Å; T256-K260 WeakPolarHBondContact O-CB 3.44Å; T256-K260 PolarHBondContact O-N 2.65Å
261G84Confident85.1Confident75 Ų7564 Ų6477%0.77334%0.342SS*.THydrogen-bonded Turntrans-89.9-4.9178.500000115.6L259L259-G261 PolarHBondContact O-N 3.13Å
262L86.1Confident84.5Confident20 Ų2063 Ų6311%0.10534%0.34CS..THydrogen-bonded Turntrans-103.1-25-176.7-55.3178.1000112.4I72 V87 W93 L126 V132 L259I72-L262 HydrophobicContact CD1-CD1 3.57Å; V87-L262 HydrophobicContact CG1-CB 3.9Å; V87-L262 HydrophobicContact CG1-CD1 4.31Å; W93-L262 HydrophobicContact CH2-CD1 4.27Å; W93-L262 HydrophobicContact CH2-CD2 4.35Å; W93-L262 HydrophobicContact CZ2-CD1 4.41Å; W93-L262 HydrophobicContact CZ2-CD2 4.33Å; L126-L262 HydrophobicContact CD2-CD2 3.84Å; V132-L262 HydrophobicContact CG1-CD1 4.06Å; V132-L262 HydrophobicContact CG1-CD2 4.17Å; L259-L262 PolarHBondContact O-N 3.13Å
263V82.9Confident84Confident28 Ų2860 Ų6017%0.1732%0.32CS..  trans-75.8128.6-177.8-177.60000109.9L254 L259 I266L254-V263 HydrophobicContact CB-CG2 4.09Å; L254-V263 HydrophobicContact CD2-CG1 4.38Å; L254-V263 HydrophobicContact CD2-CG2 3.47Å; L254-V263 VanDerWaalsContact CD2-CG2 3.47Å; L254-V263 HydrophobicContact CG-CG2 4.3Å; L259-V263 HydrophobicContact CB-CG2 4.42Å; L259-V263 PolarHBondContact O-N 3.22Å; V263-I266 HydrophobicContact CG1-CG1 4.19Å
264K71.4Confident83.5Confident122 Ų12266 Ų6653%0.5335%0.346SS..  trans-128129173.3-66.2-174.8-178.7178.50109.4
265N73.2Confident83Confident79 Ų7971.6 Ų71.642%0.42237%0.37SS..  trans52.988.1172.7-154.6-17000115.6S267 Q268 S269N265-S267 VanDerWaalsContact C-N 3.34Å; N265-S267 PolarHBondContact O-N 3.08Å; N265-S267 PolarHBondContact OD1-OG 2.86Å; N265-Q268 HydrophobicContact CB-CB 4.38Å; N265-Q268 HydrophobicContact CB-CG 4.48Å; N265-Q268 PolarHBondContact ND2-NE2 2.85Å; N265-Q268 PolarHBondContact ND2-OE1 3.39Å; N265-Q268 PolarHBondContact O-N 3.13Å; N265-S269 PolarHBondContact O-N 3.15Å; N265-S269 PolarHBondContact O-OG 2.97Å
266I76.3Confident82.4Confident99 Ų9970 Ų7051%0.50835%0.354SS..Hα-helixtrans-64.2-35.6-175.4-60.9173.2000112.1F86 V263 S269 T270F86-I266 HydrophobicContact CE1-CG2 4.39Å; V263-I266 HydrophobicContact CG1-CG1 4.19Å; I266-S269 WeakPolarHBondContact O-CB 3.27Å; I266-S269 PolarHBondContact O-N 2.86Å; I266-T270 PolarHBondContact O-N 2.89Å
267S75.5Confident81.9Confident75 Ų7570 Ų7052%0.52435%0.353SS..Hα-helixtrans-68.4-40.1-178.854.10000112.7N265 S269 T270N265-S267 VanDerWaalsContact C-N 3.34Å; N265-S267 PolarHBondContact O-N 3.08Å; N265-S267 PolarHBondContact OD1-OG 2.86Å; S267-S269 VanDerWaalsContact C-N 3.27Å; S267-S269 PolarHBondContact O-N 3.21Å; S267-T270 PolarHBondContact O-N 3.38Å; S267-T270 PolarHBondContact O-OG1 3.38Å
268Q80.7Confident81.3Confident100 Ų10065 Ų6547%0.46734%0.342SS..Hα-helixtrans-67-32.5173.5-70.2178.1-21.200112N265 T270 E271 I272N265-Q268 HydrophobicContact CB-CB 4.38Å; N265-Q268 HydrophobicContact CB-CG 4.48Å; N265-Q268 PolarHBondContact ND2-NE2 2.85Å; N265-Q268 PolarHBondContact ND2-OE1 3.39Å; N265-Q268 PolarHBondContact O-N 3.13Å; Q268-T270 PolarHBondContact O-N 3.29Å; Q268-E271 PolarHBondContact O-N 3.38Å; Q268-I272 WeakPolarHBondContact O-CG1 3.41Å; Q268-I272 PolarHBondContact O-N 3.41Å; Q268-I272 VanDerWaalsContact O-N 3.14Å
269S82.1Confident80.6Confident0 Ų068.3 Ų68.30%036%0.362CS..Hα-helixtrans-66.2-36.9-179.5-57.10000112.2S85 N265 I266 S267 I272 L273S85-S269 VanDerWaalsContact O-CB 3.25Å; S85-S269 WeakPolarHBondContact O-CB 3.04Å; S85-S269 PolarHBondContact O-OG 3.32Å; N265-S269 PolarHBondContact O-N 3.15Å; N265-S269 PolarHBondContact O-OG 2.97Å; I266-S269 WeakPolarHBondContact O-CB 3.27Å; I266-S269 PolarHBondContact O-N 2.86Å; S267-S269 VanDerWaalsContact C-N 3.27Å; S267-S269 PolarHBondContact O-N 3.21Å; S269-I272 PolarHBondContact O-N 3.25Å; S269-L273 WeakPolarHBondContact O-CB 3.45Å; S269-L273 PolarHBondContact O-N 3.04Å
270T82.1Confident79.4Confident34 Ų3471.6 Ų71.621%0.20938%0.379CS..Hα-helixtrans-70.3-34.3176.656.30000112.2F86 I266 S267 Q268 L273 K274F86-T270 HydrophobicContact CE1-CG2 4.1Å; F86-T270 HydrophobicContact CZ-CG2 4.14Å; I266-T270 PolarHBondContact O-N 2.89Å; S267-T270 PolarHBondContact O-N 3.38Å; S267-T270 PolarHBondContact O-OG1 3.38Å; Q268-T270 PolarHBondContact O-N 3.29Å; T270-L273 PolarHBondContact O-N 3.09Å; T270-K274 WeakPolarHBondContact O-CG 3.43Å; T270-K274 PolarHBondContact O-N 3.48Å
271E83.1Confident78.2Confident113 Ų11370.2 Ų70.253%0.52838%0.375SS..Hα-helixtrans-64.6-41.7173.1-69.5179.1-173.300112.2Q268 L273 K274 K275Q268-E271 PolarHBondContact O-N 3.38Å; E271-L273 VanDerWaalsContact C-N 3.35Å; E271-K274 PolarHBondContact O-N 2.76Å; E271-K275 WeakPolarHBondContact O-CG 3.32Å; E271-K275 PolarHBondContact O-N 2.79Å
272I83.4Confident77Confident46 Ų4672.2 Ų72.224%0.23637%0.367CS..Hα-helixtrans-67.1-40.3177.9-70.7164.8000111N89 Q268 S269 K274 K275 L276N89-I272 HydrophobicContact CB-CD1 4.15Å; N89-I272 WeakPolarHBondContact ND2-CD1 3.36Å; N89-I272 WeakPolarHBondContact OD1-CD1 3.14Å; Q268-I272 WeakPolarHBondContact O-CG1 3.41Å; Q268-I272 PolarHBondContact O-N 3.41Å; Q268-I272 VanDerWaalsContact O-N 3.14Å; S269-I272 PolarHBondContact O-N 3.25Å; I272-K274 VanDerWaalsContact C-N 3.32Å; I272-K274 PolarHBondContact O-N 3.06Å; I272-K275 PolarHBondContact O-N 3.01Å; I272-L276 HydrophobicContact CG2-CD1 4.23Å; I272-L276 HydrophobicContact CG2-CG 4.43Å; I272-L276 WeakPolarHBondContact O-CG 3.47Å; I272-L276 PolarHBondContact O-N 3.44Å
273L84.4Confident75.4Confident0 Ų075.1 Ų75.10%038%0.38CS..Hα-helixtrans-57.5-47.5173.2-177.656.2000111.1A81 S85 F86 L244 V247 E248 S269 T270 E271 K275 L276 M277A81-L273 HydrophobicContact CB-CD1 4.39Å; S85-L273 WeakPolarHBondContact OG-CA 3.44Å; S85-L273 WeakPolarHBondContact OG-CB 3.06Å; F86-L273 HydrophobicContact CE2-CD2 3.94Å; F86-L273 HydrophobicContact CZ-CD2 4.28Å; L244-L273 HydrophobicContact CD1-CD2 3.37Å; L244-L273 HydrophobicContact CD1-CG 3.66Å; V247-L273 HydrophobicContact CB-CD1 4.26Å; V247-L273 HydrophobicContact CB-CD2 4.06Å; V247-L273 HydrophobicContact CG1-CD1 3.69Å; V247-L273 HydrophobicContact CG1-CD2 3.44Å; V247-L273 VanDerWaalsContact CG1-CD2 3.44Å; V247-L273 HydrophobicContact CG1-CG 4.22Å; V247-L273 HydrophobicContact CG2-CD1 4.32Å; E248-L273 HydrophobicContact CG-CD2 4.49Å; S269-L273 WeakPolarHBondContact O-CB 3.45Å; S269-L273 PolarHBondContact O-N 3.04Å; T270-L273 PolarHBondContact O-N 3.09Å; E271-L273 VanDerWaalsContact C-N 3.35Å; L273-K275 VanDerWaalsContact C-N 3.32Å; L273-K275 PolarHBondContact O-N 3.27Å; L273-L276 PolarHBondContact O-N 3.31Å; L273-M277 HydrophobicContact CD1-CE 3.55Å; L273-M277 HydrophobicContact CG-CE 4.33Å; L273-M277 VanDerWaalsContact O-CG 3.27Å; L273-M277 WeakPolarHBondContact O-CG 3.4Å; L273-M277 PolarHBondContact O-N 3.14Å
274K84.3Confident74Confident126 Ų12678.1 Ų78.155%0.54840%0.402SS..Hα-helixtrans-58.1-43175.3-71.7177-178.8-175.30112.2T270 E271 I272 M277 T278T270-K274 WeakPolarHBondContact O-CG 3.43Å; T270-K274 PolarHBondContact O-N 3.48Å; E271-K274 PolarHBondContact O-N 2.76Å; I272-K274 VanDerWaalsContact C-N 3.32Å; I272-K274 PolarHBondContact O-N 3.06Å; K274-M277 PolarHBondContact O-N 3.12Å; K274-T278 PolarHBondContact O-N 2.88Å; K274-T278 PolarHBondContact O-OG1 2.99Å
275K83Confident72.8Confident133 Ų13377 Ų7758%0.57840%0.402SS*.Hα-helixtrans-60.4-46.9175.6-71.4176.2-175.9177.10111.9E271 I272 L273 M277 T278 T279E271-K275 WeakPolarHBondContact O-CG 3.32Å; E271-K275 PolarHBondContact O-N 2.79Å; I272-K275 PolarHBondContact O-N 3.01Å; L273-K275 VanDerWaalsContact C-N 3.32Å; L273-K275 PolarHBondContact O-N 3.27Å; K275-M277 VanDerWaalsContact C-N 3.28Å; K275-M277 PolarHBondContact O-N 3.32Å; K275-T278 WeakPolarHBondContact CA-OG1 3.35Å; K275-T278 PolarHBondContact O-N 3.35Å; K275-T278 PolarHBondContact O-OG1 3.24Å; K275-T279 PolarHBondContact O-N 3.01Å; K275-T279 VanDerWaalsContact O-N 3.08Å; K275-T279 PolarHBondContact O-OG1 3.07Å; K275-T279 VanDerWaalsContact O-OG1 3.07Å
276L78.4Confident71.9Confident64 Ų6480.8 Ų80.834%0.33542%0.421SS..Hα-helixtrans-60-37.6176.9-71174.2000112.3S85 I272 L273 N280S85-L276 WeakPolarHBondContact OG-CD1 3.41Å; I272-L276 HydrophobicContact CG2-CD1 4.23Å; I272-L276 HydrophobicContact CG2-CG 4.43Å; I272-L276 WeakPolarHBondContact O-CG 3.47Å; I272-L276 PolarHBondContact O-N 3.44Å; L273-L276 PolarHBondContact O-N 3.31Å; L276-N280 PolarHBondContact O-N 3.49Å; L276-N280 PolarHBondContact O-ND2 3.36Å
277M79.9Confident70.4Confident17 Ų1786.7 Ų86.78%0.08444%0.438CS..Hα-helixtrans-64.9-48.8175.3-65.2-67.1165.100111.3L242 V247 L273 K274 K275 T279 N280 E281L242-M277 HydrophobicContact CD1-CE 3.55Å; L242-M277 HydrophobicContact CD1-SD 4.29Å; L242-M277 HydrophobicContact CD2-CE 4.09Å; L242-M277 HydrophobicContact CD2-SD 3.88Å; L242-M277 HydrophobicContact CG-CE 3.58Å; L242-M277 HydrophobicContact CG-SD 3.62Å; V247-M277 HydrophobicContact CB-CE 4.44Å; V247-M277 HydrophobicContact CG2-CE 3.71Å; L273-M277 HydrophobicContact CD1-CE 3.55Å; L273-M277 HydrophobicContact CG-CE 4.33Å; L273-M277 VanDerWaalsContact O-CG 3.27Å; L273-M277 WeakPolarHBondContact O-CG 3.4Å; L273-M277 PolarHBondContact O-N 3.14Å; K274-M277 PolarHBondContact O-N 3.12Å; K275-M277 VanDerWaalsContact C-N 3.28Å; K275-M277 PolarHBondContact O-N 3.32Å; M277-T279 VanDerWaalsContact C-N 3.28Å; M277-T279 PolarHBondContact O-N 3.25Å; M277-N280 PolarHBondContact O-N 2.73Å; M277-N280 VanDerWaalsContact O-N 3.09Å; M277-E281 PolarHBondContact O-N 3.22Å
278T75.2Confident68.9Low71 Ų7191.2 Ų91.244%0.43646%0.463SS..Hα-helixtrans-61-34.7179.852.50000113.2K274 K275 I282K274-T278 PolarHBondContact O-N 2.88Å; K274-T278 PolarHBondContact O-OG1 2.99Å; K275-T278 WeakPolarHBondContact CA-OG1 3.35Å; K275-T278 PolarHBondContact O-N 3.35Å; K275-T278 PolarHBondContact O-OG1 3.24Å; T278-I282 WeakPolarHBondContact O-CD1 3.37Å; T278-I282 VanDerWaalsContact O-CG1 3.26Å; T278-I282 WeakPolarHBondContact O-CG1 3.37Å; T278-I282 PolarHBondContact O-N 3.41Å
279T71.3Confident68.3Low74 Ų7490.8 Ų90.845%0.45446%0.462SS..Hα-helixtrans-67.3-38.6176.3-50.60000112K275 M277 Q283K275-T279 PolarHBondContact O-N 3.01Å; K275-T279 VanDerWaalsContact O-N 3.08Å; K275-T279 PolarHBondContact O-OG1 3.07Å; K275-T279 VanDerWaalsContact O-OG1 3.07Å; M277-T279 VanDerWaalsContact C-N 3.28Å; M277-T279 PolarHBondContact O-N 3.25Å; T279-Q283 WeakPolarHBondContact O-CG 3.26Å; T279-Q283 PolarHBondContact O-N 2.75Å
280N65.3Low67.5Low68 Ų6895.5 Ų95.536%0.36449%0.487SS..Hα-helixtrans-70.7-37.3177.2-77.9-68.3000112.4L242 L276 M277 Q283 S284L242-N280 HydrophobicContact CD2-CB 4.3Å; L242-N280 WeakPolarHBondContact CD2-ND2 3.29Å; L276-N280 PolarHBondContact O-N 3.49Å; L276-N280 PolarHBondContact O-ND2 3.36Å; M277-N280 PolarHBondContact O-N 2.73Å; M277-N280 VanDerWaalsContact O-N 3.09Å; N280-Q283 PolarHBondContact O-N 3.42Å; N280-S284 WeakPolarHBondContact O-CB 3.5Å; N280-S284 PolarHBondContact O-N 3.38Å; N280-S284 VanDerWaalsContact O-N 3.12Å; N280-S284 PolarHBondContact O-OG 3Å
281E59.6Low66.7Low130 Ų13098.9 Ų98.961%0.60750%0.502SS*.Hα-helixtrans-63.2-41.6177.4-73.3175.7175.700112.2M277 Q283 S284M277-E281 PolarHBondContact O-N 3.22Å; E281-Q283 PolarHBondContact O-N 3.06Å; E281-S284 PolarHBondContact O-N 3.1Å; E281-S284 VanDerWaalsContact O-N 3.14Å
282I59.5Low65.8Low118 Ų11898.1 Ų98.161%0.60550%0.501SS*.Hα-helixtrans-60.7-36176.4-66.7163.8000111.1T278T278-I282 WeakPolarHBondContact O-CD1 3.37Å; T278-I282 VanDerWaalsContact O-CG1 3.26Å; T278-I282 WeakPolarHBondContact O-CG1 3.37Å; T278-I282 PolarHBondContact O-N 3.41Å
283Q52.1Low64.7Low81 Ų81101.4 Ų101.438%0.37952%0.517SS..Hα-helixtrans-79.4-17.2179.6-68.2176.1-22.200113.7T112 T279 N280 E281T112-Q283 PolarHBondContact O-NE2 3.36Å; T279-Q283 WeakPolarHBondContact O-CG 3.26Å; T279-Q283 PolarHBondContact O-N 2.75Å; N280-Q283 PolarHBondContact O-N 3.42Å; E281-Q283 PolarHBondContact O-N 3.06Å
284S52.9Low63.3Low91 Ų91108.1 Ų108.164%0.63655%0.552SS**THydrogen-bonded Turntrans-94.80.8-176.3-54.10000113.3N280 E281N280-S284 WeakPolarHBondContact O-CB 3.5Å; N280-S284 PolarHBondContact O-N 3.38Å; N280-S284 VanDerWaalsContact O-N 3.12Å; N280-S284 PolarHBondContact O-OG 3Å; E281-S284 PolarHBondContact O-N 3.1Å; E281-S284 VanDerWaalsContact O-N 3.14Å
285N47.4Very low61.8Low98 Ų98106.9 Ų106.952%0.52455%0.552SS.*  trans-84.8119.9-178.4-87.6-29.5000111.4Y287N285-Y287 PolarHBondContact O-N 3.14Å; N285-Y287 VanDerWaalsContact O-N 3.14Å
286I53.3Low60.2Low158 Ų158104.8 Ų104.881%0.8155%0.55SS*.THydrogen-bonded Turntrans-70.3-6.1178.9-54.8171.9000112.2
287Y44.3Very low58.7Low224 Ų224108.3 Ų108.388%0.87857%0.568SS**THydrogen-bonded Turntrans-109.217.7-174.8-65.3-75.1000114.2N285N285-Y287 PolarHBondContact O-N 3.14Å; N285-Y287 VanDerWaalsContact O-N 3.14Å
288T43.6Very low56.8Low169 Ų169116.5 Ų116.5100%1.03761%0.612SS**  trans-122.30174.7-38.30000109.9

Retrieved 288 of 288 residues in 170.3 ms (Link to these results)