A0A2K6D854_MACNE Loading...

R-spondin-2

AlphaFold DB , UniProt , Accession A0A2K6D854, Species MACNE (Macaca nemestrina, Pig-tailed macaque), Gene RSPO2, Length 243 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.6Very low43.4Very low226 Ų226160.9 Ų160.9100%1.11380%0.8SS**  090.40-56.8-60.3-172.800106.7
2Q38.2Very low44Very low186 Ų186160 Ų16087%0.86980%0.797SS**  110.8141.876.2-113.4-177.9-13.500109.4
3F36.6Very low44.1Very low172 Ų172159.6 Ų159.675%0.75480%0.798SS**  trans-81.7148.9-161.6-91.6-121.4000113.6
4R40.7Very low43.6Very low204 Ų204160 Ų16077%0.7780%0.804SS**  trans65.9125.6133.5-67.3-168-173.6-143.64121.6
5L47.1Very low43.8Very low138 Ų138157.5 Ų157.572%0.72381%0.806SS**  29.6138.1118.6-67.5165.2000119.6
6F41.3Very low43.3Very low184 Ų184157.2 Ų157.281%0.80780%0.802SS**  trans69.2113.4160.8-75.9-79000116.6
7S45Very low42.6Very low91 Ų91158 Ų15864%0.63681%0.809SS**  161.4122.7105.8-84.30000112
8F45.8Very low42.2Very low171 Ų171160.6 Ų160.675%0.7581%0.809SS**  trans52.777.7145-66.3-85.9000117.8I11F8-I11 HydrophobicContact CD1-CD1 4.26Å
9A45.8Very low41.7Very low100 Ų100157.2 Ų157.283%0.82680%0.801SS**  trans-119.343.1162.900000112.2
10L48.3Very low41.1Very low171 Ų171157.7 Ų157.790%0.89580%0.8SS**SBendtrans-13929.3169.3-85.1179.3000112.6
11I52.1Low40.8Very low127 Ų127154.8 Ų154.865%0.65179%0.793SS**SBendtrans-138.1131.8167-47.7179.9000106.5F8F8-I11 HydrophobicContact CD1-CD1 4.26Å
12I50.5Low40.7Very low150 Ų150153.2 Ų153.277%0.76978%0.783SS**SBendtrans80.680.7173.5-36-177.5000115.5
13L45.6Very low40.4Very low155 Ų155147.8 Ų147.881%0.81278%0.777SS**  trans-17483.9141.4-103.6143.6000111.2
14N36.8Very low40.9Very low165 Ų165146.9 Ų146.988%0.88278%0.78SS**  trans-158.759.6141.4-96.3-44.9000108.1
15C46.9Very low40.6Very low123 Ų123148.6 Ų148.683%0.83179%0.786SS**  trans-115.383.7159.5-760000106.4
16M35.5Very low40Very low152 Ų152153.1 Ų153.175%0.74979%0.794SS**  trans-149.455.3165.3-89.9-149.375.400110.2
17D31.9Very low39.9Very low171 Ų171155.9 Ų155.991%0.91480%0.799SS**  trans-102.898.9151.6-90.5-46000108.1S19D17-S19 PolarHBondContact O-N 3.44Å
18Y34.2Very low40.1Very low205 Ų205163.1 Ų163.180%0.80481%0.812SS**  trans-64.9112.8177.8-147.8-100.3000108.9
19S32.8Very low40.2Very low96 Ų96160.3 Ų160.367%0.67181%0.814SS**  trans28.5110.7134.3-49.90000117.8D17D17-S19 PolarHBondContact O-N 3.44Å
20H30.8Very low40.1Very low167 Ų167164.8 Ų164.877%0.77382%0.815SS**  166.7111.496.6-163.369.7000112.5
21C34.1Very low39.9Very low96 Ų96168.6 Ų168.665%0.64982%0.817SS**  trans31130.9137-57.60000122.9
22Q35.3Very low39.5Very low194 Ų194165.2 Ų165.291%0.90781%0.808SS**  trans113.6128.2138.5-58.4-158.83.500116.6
23G32Very low39.6Very low72 Ų72164 Ų16474%0.74281%0.813SS**  trans131.884.1149.300000115.4R25G23-R25 PolarHBondContact O-N 3.01Å; G23-R25 VanDerWaalsContact O-N 3.12Å
24N45.6Very low39.8Very low152 Ų152166 Ų16681%0.81381%0.811SS**  trans-19.5106.9153.6-68.5-26.2000114.9
25R34.3Very low40.3Very low240 Ų240164.4 Ų164.491%0.90681%0.807SS**  trans-138.690.8146.6-73.2-169.5-164.4172.27.2109.1G23 R27G23-R25 PolarHBondContact O-N 3.01Å; G23-R25 VanDerWaalsContact O-N 3.12Å; R25-R27 PolarHBondContact O-N 3.1Å
26W36.1Very low40.9Very low233 Ų233163.5 Ų163.588%0.88380%0.802SS**  trans-41.6112.3160.2-80.558.6000108.8R28W26-R28 VanDerWaalsContact C-N 3.26Å; W26-R28 PolarHBondContact O-N 3.49Å
27R39.3Very low42.3Very low243 Ų243159.2 Ų159.292%0.91778%0.782SS**  trans-58101.8159.5-81.8-172.1-178.7-141.81.4105.5R25 S29R25-R27 PolarHBondContact O-N 3.1Å; R27-S29 PolarHBondContact O-N 3.25Å
28R47.3Very low44.3Very low242 Ų242156.2 Ų156.291%0.91377%0.772SS**  trans-57.691.8166-115.2176.2179162.4-0.2105.8W26 K30W26-R28 VanDerWaalsContact C-N 3.26Å; W26-R28 PolarHBondContact O-N 3.49Å; R28-K30 PolarHBondContact O-N 2.84Å; R28-K30 VanDerWaalsContact O-N 3.13Å
29S49.5Very low46.4Very low112 Ų112149 Ų14978%0.78375%0.747SS**  trans-52.8121.1166.5-174.70000105.9R27 R31R27-S29 PolarHBondContact O-N 3.25Å; S29-R31 PolarHBondContact O-N 3.36Å; S29-R31 VanDerWaalsContact O-N 3.1Å
30K41.9Very low48.8Very low195 Ų195146.2 Ų146.285%0.84873%0.727SS**  trans-45.7121.7-179.2-74.9179.6176179.60107.9R28 A32R28-K30 PolarHBondContact O-N 2.84Å; R28-K30 VanDerWaalsContact O-N 3.13Å; K30-A32 PolarHBondContact O-N 2.98Å
31R45.1Very low51.5Low251 Ų251146.5 Ų146.595%0.94773%0.726SS**  trans-64.487.2170.8-155.7179.3-142.11733.5106.2S29 S33S29-R31 PolarHBondContact O-N 3.36Å; S29-R31 VanDerWaalsContact O-N 3.1Å; R31-S33 PolarHBondContact O-N 3.3Å; R31-S33 VanDerWaalsContact O-N 3.08Å
32A42.8Very low54.1Low55 Ų55143 Ų14346%0.45571%0.706SS.*  trans-59.3114.4167.200000105.9K30 Y34K30-A32 PolarHBondContact O-N 2.98Å; A32-Y34 HydrophobicContact CB-CD2 3.52Å; A32-Y34 HydrophobicContact CB-CE2 3.25Å; A32-Y34 HydrophobicContact CB-CG 4.47Å; A32-Y34 WeakPolarHBondContact O-CD2 3.49Å; A32-Y34 PolarHBondContact O-N 3.09Å
33S53.4Low56.8Low126 Ų126134.9 Ų134.988%0.88167%0.67SS**  trans-64.282.9167.8-168.40000106.8R31 V35R31-S33 PolarHBondContact O-N 3.3Å; R31-S33 VanDerWaalsContact O-N 3.08Å; S33-V35 PolarHBondContact O-N 3.23Å
34Y50.2Low59.7Low196 Ų196136.8 Ų136.877%0.76966%0.663SS**  trans-78.4111.9173.9-81.7-79000106.6A32 S36A32-Y34 HydrophobicContact CB-CD2 3.52Å; A32-Y34 HydrophobicContact CB-CE2 3.25Å; A32-Y34 HydrophobicContact CB-CG 4.47Å; A32-Y34 WeakPolarHBondContact O-CD2 3.49Å; A32-Y34 PolarHBondContact O-N 3.09Å; Y34-S36 PolarHBondContact O-N 3.32Å
35V46.8Very low61.9Low132 Ų132132 Ų13280%0.864%0.641SS**  trans-35.4111.9147.2175.90000106.1S33 N37S33-V35 PolarHBondContact O-N 3.23Å; V35-N37 VanDerWaalsContact C-N 3.34Å; V35-N37 PolarHBondContact O-N 2.96Å
36S59.5Low64.7Low103 Ų103123.1 Ų123.172%0.7262%0.615SS**  trans-61.3102-176.748.60000106.9Y34 P38Y34-S36 PolarHBondContact O-N 3.32Å; S36-P38 WeakPolarHBondContact O-CD 3.48Å
37N64.8Low67.2Low63 Ų63114.7 Ų114.734%0.33759%0.592SS.*  trans-56.4113.2174.9-177.7-18.5000106.1V35 I39 C40V35-N37 VanDerWaalsContact C-N 3.34Å; V35-N37 PolarHBondContact O-N 2.96Å; N37-I39 PolarHBondContact O-N 3.39Å; N37-I39 WeakPolarHBondContact OD1-CB 3.47Å; N37-I39 WeakPolarHBondContact OD1-CG1 3.5Å; N37-I39 PolarHBondContact OD1-N 2.97Å; N37-C40 PolarHBondContact O-N 3.41Å
38P73.6Confident69.5Low108 Ų108112.2 Ų112.270%0.70159%0.588SS**G310 helixtrans-59.1-24.7-171.121.6-32.4000112S36 C40 K41S36-P38 WeakPolarHBondContact O-CD 3.48Å; P38-C40 VanDerWaalsContact C-N 3.31Å; P38-C40 PolarHBondContact O-N 3.41Å; P38-K41 PolarHBondContact O-N 3.03Å
39I78.1Confident71.3Confident52 Ų52106.9 Ų106.927%0.26758%0.578SS.*G310 helixtrans-66.6-30.2178.1-55.1170.8000112.1N37 Y71 E73N37-I39 PolarHBondContact O-N 3.39Å; N37-I39 WeakPolarHBondContact OD1-CB 3.47Å; N37-I39 WeakPolarHBondContact OD1-CG1 3.5Å; N37-I39 PolarHBondContact OD1-N 2.97Å; I39-Y71 HydrophobicContact CD1-CD2 4.43Å; I39-Y71 HydrophobicContact CD1-CE2 4.29Å; I39-Y71 HydrophobicContact CG1-CE2 4.33Å; I39-Y71 HydrophobicContact CG2-CD2 3.72Å; I39-Y71 HydrophobicContact CG2-CE2 4.11Å; I39-E73 HydrophobicContact CG2-CG 4.41Å
40C83.8Confident73.3Confident39 Ų39106.7 Ų106.726%0.26457%0.568SS.*G310 helixtrans-92.38.5-176-59.60000114N37 P38 G42 C43 C46N37-C40 PolarHBondContact O-N 3.41Å; P38-C40 VanDerWaalsContact C-N 3.31Å; P38-C40 PolarHBondContact O-N 3.41Å; C40-G42 PolarHBondContact O-N 2.98Å; C40-C43 VanDerWaalsContact O-CB 3.27Å; C40-C43 WeakPolarHBondContact O-CB 3.48Å; C40-C43 PolarHBondContact O-N 3.1Å; C40-C46 VanDerWaalsContact CA-SG 3.59Å; C40-C46 HydrophobicContact CB-CB 3.7Å; C40-C46 WeakPolarHBondContact CB-SG 3.36Å; C40-C46 WeakPolarHBondContact SG-CB 3.44Å; C40-C46 CovalentContact SG-SG 2.02Å; C40-C46 PolarHBondContact SG-SG 3.43Å
41K87.4Confident75.7Confident173 Ų17397.6 Ų97.675%0.75253%0.529SS*.THydrogen-bonded Turntrans-66.1127.6-179.7-169.5178.5179-177.80110.3P38 C43P38-K41 PolarHBondContact O-N 3.03Å; K41-C43 VanDerWaalsContact C-N 3.25Å; K41-C43 PolarHBondContact O-N 3.06Å
42G88.4Confident78Confident21 Ų2185.8 Ų85.822%0.21649%0.485CS..THydrogen-bonded Turntrans72.715.1-179.400000114.7C40 Q56 L59C40-G42 PolarHBondContact O-N 2.98Å; G42-Q56 WeakPolarHBondContact O-CG 3.38Å; G42-Q56 PolarHBondContact O-N 3.45Å; G42-Q56 VanDerWaalsContact O-N 3.08Å; G42-L59 WeakPolarHBondContact O-CD1 3.37Å
43C92.9Very high80.4Confident24 Ų2486.2 Ų86.216%0.16249%0.485CS..EExtended strand (participates in β ladder)trans-96.8138.6179.9-170.30000112.2C40 K41 S45 C46 C52 R54C40-C43 VanDerWaalsContact O-CB 3.27Å; C40-C43 WeakPolarHBondContact O-CB 3.48Å; C40-C43 PolarHBondContact O-N 3.1Å; K41-C43 VanDerWaalsContact C-N 3.25Å; K41-C43 PolarHBondContact O-N 3.06Å; C43-S45 PolarHBondContact SG-N 3.48Å; C43-S45 PolarHBondContact SG-O 3.36Å; C43-C46 HydrophobicContact CB-CB 4.39Å; C43-C52 HydrophobicContact CB-CB 3.73Å; C43-C52 WeakPolarHBondContact CB-SG 3.48Å; C43-C52 WeakPolarHBondContact SG-CA 3.03Å; C43-C52 WeakPolarHBondContact SG-CB 3.37Å; C43-C52 CovalentContact SG-SG 2.02Å; C43-C52 PolarHBondContact SG-SG 3.01Å; C43-R54 PolarHBondContact SG-O 2.88Å
44L92.6Very high82.2Confident112 Ų11288 Ų8859%0.58647%0.472SS*.EExtended strand (participates in β ladder)trans-85.8-31.3172.9-63.2175.4000112.5R54 Q56L44-R54 HydrophobicContact CB-CB 4.36Å; L44-R54 WeakPolarHBondContact CB-O 3.31Å; L44-R54 PolarHBondContact N-O 2.73Å; L44-Q56 HydrophobicContact CD2-CG 3.93Å; L44-Q56 HydrophobicContact CG-CG 4.19Å
45S91.8Very high84.3Confident52 Ų5279.5 Ų79.536%0.36444%0.441SS..EExtended strand (participates in β ladder)trans-140.8107.6-178.8-58.50000109.4C43 S53C43-S45 PolarHBondContact SG-N 3.48Å; C43-S45 PolarHBondContact SG-O 3.36Å; S45-S53 WeakPolarHBondContact CB-OG 3.48Å; S45-S53 PolarHBondContact O-N 3.42Å; S45-S53 PolarHBondContact O-OG 2.04Å
46C92.4Very high86.5Confident53 Ų5377.8 Ų77.836%0.35843%0.425SS..EExtended strand (participates in β ladder)trans-118.7139.2-175.2-155.90000111.7C40 C43 G51C40-C46 VanDerWaalsContact CA-SG 3.59Å; C40-C46 HydrophobicContact CB-CB 3.7Å; C40-C46 WeakPolarHBondContact CB-SG 3.36Å; C40-C46 WeakPolarHBondContact SG-CB 3.44Å; C40-C46 CovalentContact SG-SG 2.02Å; C40-C46 PolarHBondContact SG-SG 3.43Å; C43-C46 HydrophobicContact CB-CB 4.39Å; C46-G51 VanDerWaalsContact SG-C 3.52Å; C46-G51 PolarHBondContact SG-O 3.09Å
47S90.1Very high87.8Confident57 Ų5781.5 Ų81.540%0.39943%0.431SS..EExtended strand (participates in β ladder)trans-115.7152.5174.6-61.50000110.1D49 G51S47-D49 PolarHBondContact O-N 3.32Å; S47-G51 PolarHBondContact N-O 2.99Å; S47-G51 WeakPolarHBondContact O-CA 3.03Å; S47-G51 PolarHBondContact O-N 2.87Å
48K86.2Confident89.1Confident190 Ų19087.6 Ų87.683%0.82645%0.454SS*.THydrogen-bonded Turntrans-65-39.9179.8-169.9179.8177.5-175.20112.4
49D87Confident90.1Very high130 Ų13082.9 Ų82.970%0.69542%0.423SS*.THydrogen-bonded Turntrans-93.4-36.6-172.4-53.7-61.2000113.5S47S47-D49 PolarHBondContact O-N 3.32Å
50N90.8Very high91Very high109 Ų10981.1 Ų81.158%0.58341%0.413SS*.THydrogen-bonded Turntrans-98.30-176.4-63.3-31.8000113.4Y71 G72N50-Y71 CarbonylContact O-C 3.48Å; N50-Y71 WeakPolarHBondContact O-CA 3.35Å; N50-G72 PolarHBondContact O-N 3.49Å
51G92.7Very high91.5Very high3 Ų381 Ų813%0.03141%0.408CS..EExtended strand (participates in β ladder)trans63.8-142.3-172.800000112.1C46 S47C46-G51 VanDerWaalsContact SG-C 3.52Å; C46-G51 PolarHBondContact SG-O 3.09Å; S47-G51 PolarHBondContact N-O 2.99Å; S47-G51 WeakPolarHBondContact O-CA 3.03Å; S47-G51 PolarHBondContact O-N 2.87Å
52C93.6Very high91.9Very high3 Ų373.8 Ų73.82%0.0238%0.377CS..EExtended strand (participates in β ladder)trans-74.7139179.2-171.20000112.2C43 R54 F61 G72 C74C43-C52 HydrophobicContact CB-CB 3.73Å; C43-C52 WeakPolarHBondContact CB-SG 3.48Å; C43-C52 WeakPolarHBondContact SG-CA 3.03Å; C43-C52 WeakPolarHBondContact SG-CB 3.37Å; C43-C52 CovalentContact SG-SG 2.02Å; C43-C52 PolarHBondContact SG-SG 3.01Å; C52-R54 VanDerWaalsContact SG-C 3.51Å; C52-R54 PolarHBondContact SG-O 3.31Å; C52-F61 VanDerWaalsContact O-CE2 3.32Å; C52-F61 WeakPolarHBondContact O-CE2 3.48Å; C52-G72 WeakPolarHBondContact CB-O 3.09Å; C52-G72 PolarHBondContact N-O 3.25Å; C52-G72 WeakPolarHBondContact O-CA 3.44Å; C52-C74 PolarHBondContact SG-SG 3.09Å
53S91.9Very high92.2Very high64 Ų6476.7 Ų76.745%0.44839%0.387SS..EExtended strand (participates in β ladder)trans-107.7-26.217165.20000113.8S45S45-S53 WeakPolarHBondContact CB-OG 3.48Å; S45-S53 PolarHBondContact O-N 3.42Å; S45-S53 PolarHBondContact O-OG 2.04Å
54R92Very high92.3Very high165 Ų16580.7 Ų80.762%0.62340%0.399SS*.EExtended strand (participates in β ladder)trans-138.3118.3177.1-65.7-178.779.4165.84.5110.8C43 L44 C52C43-R54 PolarHBondContact SG-O 2.88Å; L44-R54 HydrophobicContact CB-CB 4.36Å; L44-R54 WeakPolarHBondContact CB-O 3.31Å; L44-R54 PolarHBondContact N-O 2.73Å; C52-R54 VanDerWaalsContact SG-C 3.51Å; C52-R54 PolarHBondContact SG-O 3.31Å
55C93.9Very high92.3Very high17 Ų1784.2 Ų84.212%0.11540%0.404CS..EExtended strand (participates in β ladder)trans-83.2157.9176.3-63.70000112L59 C74C55-L59 HydrophobicContact CB-CB 4.16Å; C55-C74 WeakPolarHBondContact CA-SG 3.44Å; C55-C74 HydrophobicContact CB-CB 3.86Å; C55-C74 WeakPolarHBondContact CB-SG 3.21Å; C55-C74 WeakPolarHBondContact SG-CA 3.33Å; C55-C74 WeakPolarHBondContact SG-CB 3.5Å; C55-C74 CovalentContact SG-SG 2.03Å; C55-C74 PolarHBondContact SG-SG 3.14Å
56Q92.8Very high92.3Very high96 Ų9687.5 Ų87.545%0.44941%0.414SS..  trans-58.5147.8164.1-70.3172-1.600110.5G42 L44 K58 L59G42-Q56 WeakPolarHBondContact O-CG 3.38Å; G42-Q56 PolarHBondContact O-N 3.45Å; G42-Q56 VanDerWaalsContact O-N 3.08Å; L44-Q56 HydrophobicContact CD2-CG 3.93Å; L44-Q56 HydrophobicContact CG-CG 4.19Å; Q56-K58 PolarHBondContact O-N 3.45Å; Q56-L59 HydrophobicContact CB-CD1 4.25Å; Q56-L59 HydrophobicContact CB-CG 4.48Å; Q56-L59 PolarHBondContact O-N 3.07Å
57Q87.2Confident92.3Very high181 Ų18187.9 Ų87.985%0.84643%0.427SS*.THydrogen-bonded Turntrans-55.1-24.8-171.5-71174.9-26.900115.2N91Q57-N91 PolarHBondContact O-ND2 2.91Å
58K91.3Very high92.4Very high191 Ų19194.2 Ų94.283%0.8345%0.452SS*.THydrogen-bonded Turntrans-87.5-9.7179.8-64.7-174.2179.9-178.60114.1Q56Q56-K58 PolarHBondContact O-N 3.45Å
59L95.2Very high92.5Very high9 Ų994.5 Ų94.55%0.04745%0.448CS..SBendtrans-103.3154.2-175.6-60.1176.4000111.1G42 C55 Q56 C74 L75 H76 N91G42-L59 WeakPolarHBondContact O-CD1 3.37Å; C55-L59 HydrophobicContact CB-CB 4.16Å; Q56-L59 HydrophobicContact CB-CD1 4.25Å; Q56-L59 HydrophobicContact CB-CG 4.48Å; Q56-L59 PolarHBondContact O-N 3.07Å; L59-C74 HydrophobicContact CB-CB 4.1Å; L59-C74 HydrophobicContact CD1-CB 3.79Å; L59-L75 WeakPolarHBondContact CA-O 3.26Å; L59-H76 HydrophobicContact CD2-CB 4.5Å; L59-H76 VanDerWaalsContact CD2-CE1 3.43Å; L59-H76 WeakPolarHBondContact CD2-CE1 3.28Å; L59-H76 WeakPolarHBondContact CD2-ND1 3.31Å; L59-N91 WeakPolarHBondContact O-CB 3.32Å
60F96.3Very high92.9Very high15 Ų1593.1 Ų93.17%0.06644%0.438CS..EExtended strand (participates in β ladder)trans-95.3128.8174.3-65.5-92.2000110.5F62 C74 L75 H76 G84 R86 N91F60-F62 PolarHBondContact O-N 3.17Å; F60-C74 WeakPolarHBondContact O-CA 3.3Å; F60-L75 PolarHBondContact N-O 3.5Å; F60-L75 PolarHBondContact O-N 2.85Å; F60-H76 WeakPolarHBondContact CD2-O 3.17Å; F60-G84 VanDerWaalsContact CE1-CA 3.43Å; F60-R86 HydrophobicContact CE1-CG 4.24Å; F60-N91 WeakPolarHBondContact CA-O 3.43Å; F60-N91 HydrophobicContact CD1-CB 3.68Å; F60-N91 HydrophobicContact CE1-CB 3.92Å; F60-N91 HydrophobicContact CG-CB 4.21Å
61F95.6Very high93Very high35 Ų3588.9 Ų88.915%0.15441%0.414CS..EExtended strand (participates in β ladder)trans-70.7122.7168.6-179.9-90.8000110.4C52 L63 M90 N91 R92 C93C52-F61 VanDerWaalsContact O-CE2 3.32Å; C52-F61 WeakPolarHBondContact O-CE2 3.48Å; F61-L63 HydrophobicContact CE1-CB 4.18Å; F61-L63 HydrophobicContact CE1-CD1 4.49Å; F61-L63 HydrophobicContact CZ-CD1 4.37Å; F61-M90 HydrophobicContact CB-CE 4.45Å; F61-M90 HydrophobicContact CB-SD 4.07Å; F61-M90 HydrophobicContact CD1-CE 4.06Å; F61-M90 HydrophobicContact CG-CE 4.19Å; F61-M90 HydrophobicContact CG-SD 4.18Å; F61-N91 WeakPolarHBondContact CB-O 3.42Å; F61-N91 PolarHBondContact N-O 3.47Å; F61-R92 HydrophobicContact CB-CB 4.35Å; F61-R92 CarbonylContact O-C 3.6Å; F61-R92 VanDerWaalsContact O-CA 3.29Å; F61-R92 WeakPolarHBondContact O-CA 3.48Å; F61-C93 PolarHBondContact O-N 2.93Å
62F95.8Very high93Very high22 Ų2288.8 Ų88.810%0.09641%0.413CS..EExtended strand (participates in β ladder)trans-120.2125.9175.6176.7-114.3000110F60 R64 G72 E73 L75 P79 Y82 C93F60-F62 PolarHBondContact O-N 3.17Å; F62-R64 HydrophobicContact CD1-CB 4.06Å; F62-R64 HydrophobicContact CE1-CB 3.73Å; F62-R64 HydrophobicContact CE1-CG 4.05Å; F62-R64 PolarHBondContact O-N 2.68Å; F62-G72 WeakPolarHBondContact O-CA 3.41Å; F62-E73 PolarHBondContact N-O 3.33Å; F62-E73 PolarHBondContact O-N 2.91Å; F62-L75 HydrophobicContact CB-CD1 3.69Å; F62-L75 HydrophobicContact CB-CG 4.18Å; F62-L75 HydrophobicContact CD1-CD1 3.94Å; F62-L75 HydrophobicContact CG-CD1 3.9Å; F62-P79 HydrophobicContact CD2-CG 4.07Å; F62-P79 HydrophobicContact CE1-CG 4.26Å; F62-P79 HydrophobicContact CE2-CG 3.63Å; F62-P79 HydrophobicContact CZ-CG 3.74Å; F62-Y82 HydrophobicContact CD2-CD1 4.3Å; F62-Y82 HydrophobicContact CD2-CE1 4.37Å; F62-Y82 AromaticContact CE2-CD1 3.91Å; F62-Y82 HydrophobicContact CE2-CD1 3.91Å; F62-Y82 HydrophobicContact CE2-CD2 4.03Å; F62-Y82 AromaticContact CE2-CE1 3.74Å; F62-Y82 HydrophobicContact CE2-CE1 3.74Å; F62-Y82 AromaticContact CE2-CE2 3.89Å; F62-Y82 HydrophobicContact CE2-CE2 3.89Å; F62-Y82 HydrophobicContact CE2-CG 4.07Å; F62-Y82 AromaticContact CE2-CZ 3.74Å; F62-Y82 HydrophobicContact CZ-CE2 4.38Å; F62-C93 HydrophobicContact CB-CB 4.24Å; F62-C93 HydrophobicContact CD2-CB 3.78Å; F62-C93 HydrophobicContact CG-CB 4.49Å
63L94.5Very high93.1Very high83 Ų8390 Ų9044%0.43542%0.418SS..EExtended strand (participates in β ladder)trans-91.1104175.3-170.168.1000109.2F61 Q70F61-L63 HydrophobicContact CE1-CB 4.18Å; F61-L63 HydrophobicContact CE1-CD1 4.49Å; F61-L63 HydrophobicContact CZ-CD1 4.37Å; L63-Q70 HydrophobicContact CD1-CB 4.17Å; L63-Q70 HydrophobicContact CG-CB 4.46Å
64R94.1Very high93.2Very high107 Ų10787.8 Ų87.840%0.40440%0.402SS..EExtended strand (participates in β ladder)trans-89.1135.7178.6-170.3160.8172.3-160.6-0.8110F62 Q70 Y71 E73F62-R64 HydrophobicContact CD1-CB 4.06Å; F62-R64 HydrophobicContact CE1-CB 3.73Å; F62-R64 HydrophobicContact CE1-CG 4.05Å; F62-R64 PolarHBondContact O-N 2.68Å; R64-Q70 WeakPolarHBondContact O-CA 3.36Å; R64-Y71 HydrophobicContact CB-CE1 4.27Å; R64-Y71 HydrophobicContact CB-CE2 4.15Å; R64-Y71 WeakPolarHBondContact CD-OH 3.5Å; R64-Y71 HydrophobicContact CG-CE1 4.24Å; R64-Y71 PolarHBondContact N-O 3.43Å; R64-Y71 PolarHBondContact NE-OH 3.25Å; R64-Y71 PolarHBondContact NH1-OH 2.89Å; R64-Y71 PolarHBondContact O-N 3.15Å; R64-E73 VanDerWaalsContact CD-OE1 3.25Å; R64-E73 WeakPolarHBondContact CD-OE1 3.43Å; R64-E73 IonicContact CZ-OE1 2.91Å; R64-E73 IonicContact NE-OE1 3.96Å; R64-E73 IonicContact NH1-OE1 3.99Å; R64-E73 PolarHBondContact NH1-OE1 3.38Å; R64-E73 IonicContact NH1-OE2 3.15Å
65R93.5Very high93.4Very high187 Ų18782.1 Ų82.171%0.70638%0.384SS*.EExtended strand (participates in β ladder)trans-111.1123176.1-172.9179-177.9-144.44.4109.4G67 R69 Q70R65-G67 PolarHBondContact NE-O 2.85Å; R65-R69 WeakPolarHBondContact CA-O 3.39Å; R65-Q70 HydrophobicContact CB-CG 4.42Å; R65-Q70 HydrophobicContact CG-CG 4.22Å
66E91.4Very high93.4Very high120 Ų12088.5 Ų88.556%0.56141%0.412SS*.EExtended strand (participates in β ladder)trans-129.1104.7176.4-171.3172.3-146.600108.4M68 R69 Y71E66-M68 PolarHBondContact O-N 3.37Å; E66-R69 PolarHBondContact N-O 2.89Å; E66-R69 PolarHBondContact O-N 3.42Å; E66-Y71 HydrophobicContact CB-CE1 4.13Å
67G91.7Very high93.5Very high61 Ų6188.4 Ų88.463%0.62942%0.422SS*.THydrogen-bonded Turntrans58-119.3-169.300000112.1R65R65-G67 PolarHBondContact NE-O 2.85Å
68M92Very high93.8Very high190 Ų19081.2 Ų81.294%0.93639%0.391SS*.THydrogen-bonded Turntrans-89.6-10.6177.5-63.9-171.6-71.400113.5E66E66-M68 PolarHBondContact O-N 3.37Å
69R90Very high94Very high196 Ų19674.4 Ų74.474%0.7437%0.366SS*.EExtended strand (participates in β ladder)trans-88.4146.1-178.5-68.2-178.3173146.2-1.3110.8R65 E66R65-R69 WeakPolarHBondContact CA-O 3.39Å; E66-R69 PolarHBondContact N-O 2.89Å; E66-R69 PolarHBondContact O-N 3.42Å
70Q93.9Very high93.7Very high101 Ų10179.4 Ų79.447%0.47240%0.402SS..EExtended strand (participates in β ladder)trans-127.9132.3169.5-65.7-177.35.500108.2L63 R64 R65L63-Q70 HydrophobicContact CD1-CB 4.17Å; L63-Q70 HydrophobicContact CG-CB 4.46Å; R64-Q70 WeakPolarHBondContact O-CA 3.36Å; R65-Q70 HydrophobicContact CB-CG 4.42Å; R65-Q70 HydrophobicContact CG-CG 4.22Å
71Y93.3Very high93.5Very high21 Ų2179.9 Ų79.98%0.08241%0.412CS..EExtended strand (participates in β ladder)trans-143.3147.5178.663.2-88000110.4I39 N50 R64 E66 E73I39-Y71 HydrophobicContact CD1-CD2 4.43Å; I39-Y71 HydrophobicContact CD1-CE2 4.29Å; I39-Y71 HydrophobicContact CG1-CE2 4.33Å; I39-Y71 HydrophobicContact CG2-CD2 3.72Å; I39-Y71 HydrophobicContact CG2-CE2 4.11Å; N50-Y71 CarbonylContact O-C 3.48Å; N50-Y71 WeakPolarHBondContact O-CA 3.35Å; R64-Y71 HydrophobicContact CB-CE1 4.27Å; R64-Y71 HydrophobicContact CB-CE2 4.15Å; R64-Y71 WeakPolarHBondContact CD-OH 3.5Å; R64-Y71 HydrophobicContact CG-CE1 4.24Å; R64-Y71 PolarHBondContact N-O 3.43Å; R64-Y71 PolarHBondContact NE-OH 3.25Å; R64-Y71 PolarHBondContact NH1-OH 2.89Å; R64-Y71 PolarHBondContact O-N 3.15Å; E66-Y71 HydrophobicContact CB-CE1 4.13Å; Y71-E73 HydrophobicContact CD2-CG 3.98Å; Y71-E73 HydrophobicContact CE2-CG 3.65Å; Y71-E73 WeakPolarHBondContact CE2-OE1 3.42Å; Y71-E73 PolarHBondContact OH-OE1 2.9Å
72G93.9Very high93.4Very high1 Ų181 Ų811%0.0142%0.415CS..EExtended strand (participates in β ladder)trans-85.3135.5179.400000111.9N50 C52 F62N50-G72 PolarHBondContact O-N 3.49Å; C52-G72 WeakPolarHBondContact CB-O 3.09Å; C52-G72 PolarHBondContact N-O 3.25Å; C52-G72 WeakPolarHBondContact O-CA 3.44Å; F62-G72 WeakPolarHBondContact O-CA 3.41Å
73E94.4Very high93.4Very high29 Ų2981.3 Ų81.314%0.13642%0.416CS..EExtended strand (participates in β ladder)trans-121.2149.2170.9-67.2179.4171.700109.1I39 F62 R64 Y71I39-E73 HydrophobicContact CG2-CG 4.41Å; F62-E73 PolarHBondContact N-O 3.33Å; F62-E73 PolarHBondContact O-N 2.91Å; R64-E73 VanDerWaalsContact CD-OE1 3.25Å; R64-E73 WeakPolarHBondContact CD-OE1 3.43Å; R64-E73 IonicContact CZ-OE1 2.91Å; R64-E73 IonicContact NE-OE1 3.96Å; R64-E73 IonicContact NH1-OE1 3.99Å; R64-E73 PolarHBondContact NH1-OE1 3.38Å; R64-E73 IonicContact NH1-OE2 3.15Å; Y71-E73 HydrophobicContact CD2-CG 3.98Å; Y71-E73 HydrophobicContact CE2-CG 3.65Å; Y71-E73 WeakPolarHBondContact CE2-OE1 3.42Å; Y71-E73 PolarHBondContact OH-OE1 2.9Å
74C95.1Very high93.5Very high16 Ų1678.8 Ų78.811%0.10841%0.41CS..EExtended strand (participates in β ladder)trans-106.7119174-60.10000110.1C52 C55 L59 F60C52-C74 PolarHBondContact SG-SG 3.09Å; C55-C74 WeakPolarHBondContact CA-SG 3.44Å; C55-C74 HydrophobicContact CB-CB 3.86Å; C55-C74 WeakPolarHBondContact CB-SG 3.21Å; C55-C74 WeakPolarHBondContact SG-CA 3.33Å; C55-C74 WeakPolarHBondContact SG-CB 3.5Å; C55-C74 CovalentContact SG-SG 2.03Å; C55-C74 PolarHBondContact SG-SG 3.14Å; L59-C74 HydrophobicContact CB-CB 4.1Å; L59-C74 HydrophobicContact CD1-CB 3.79Å; F60-C74 WeakPolarHBondContact O-CA 3.3Å
75L95.4Very high93.5Very high47 Ų4777.1 Ų77.125%0.24641%0.407CS..EExtended strand (participates in β ladder)trans-118.1150.6-174.4-56.1178.5000111.4L59 F60 F62 S77L59-L75 WeakPolarHBondContact CA-O 3.26Å; F60-L75 PolarHBondContact N-O 3.5Å; F60-L75 PolarHBondContact O-N 2.85Å; F62-L75 HydrophobicContact CB-CD1 3.69Å; F62-L75 HydrophobicContact CB-CG 4.18Å; F62-L75 HydrophobicContact CD1-CD1 3.94Å; F62-L75 HydrophobicContact CG-CD1 3.9Å; L75-S77 WeakPolarHBondContact CB-O 3.04Å
76H94.8Very high93.5Very high150 Ų15076.8 Ų76.869%0.69441%0.406SS*.SBendtrans-73.7-35.1170.7-77.8-78.4000112.3L59 F60L59-H76 HydrophobicContact CD2-CB 4.5Å; L59-H76 VanDerWaalsContact CD2-CE1 3.43Å; L59-H76 WeakPolarHBondContact CD2-CE1 3.28Å; L59-H76 WeakPolarHBondContact CD2-ND1 3.31Å; F60-H76 WeakPolarHBondContact CD2-O 3.17Å
77S93.9Very high93.4Very high95 Ų9571.9 Ų71.966%0.66439%0.385SS*.SBendtrans-137.7143.8179.1-58.30000109.1L75L75-S77 WeakPolarHBondContact CB-O 3.04Å
78C94.7Very high93.4Very high29 Ų2975.9 Ų75.920%0.19640%0.4CS..PPolyproline II helixtrans-71.4146.4177.9-63.90000111.4C93C78-C93 WeakPolarHBondContact CA-SG 3.43Å; C78-C93 HydrophobicContact CB-CB 3.82Å; C78-C93 WeakPolarHBondContact CB-SG 3.5Å; C78-C93 WeakPolarHBondContact SG-CA 3.27Å; C78-C93 WeakPolarHBondContact SG-CB 3.48Å; C78-C93 CovalentContact SG-SG 2.04Å; C78-C93 PolarHBondContact SG-SG 3.13Å
79P93.9Very high93.2Very high48 Ų4872 Ų7231%0.31238%0.384SS..PPolyproline II helixtrans-71.4168.2178.730.4-35.2000112F62 Y82F62-P79 HydrophobicContact CD2-CG 4.07Å; F62-P79 HydrophobicContact CE1-CG 4.26Å; F62-P79 HydrophobicContact CE2-CG 3.63Å; F62-P79 HydrophobicContact CZ-CG 3.74Å; P79-Y82 HydrophobicContact CG-CD2 4.05Å; P79-Y82 HydrophobicContact CG-CG 4.4Å; P79-Y82 WeakPolarHBondContact O-CB 3.42Å; P79-Y82 PolarHBondContact O-N 3.33Å
80S90.6Very high93.2Very high114 Ų11465.9 Ų65.980%0.79736%0.364SS*.THydrogen-bonded Turntrans-52.5139.8177.1-53.70000112.3Y82S80-Y82 VanDerWaalsContact C-N 3.25Å; S80-Y82 PolarHBondContact O-N 3.05Å
81G90.9Very high93.2Very high26 Ų2662.4 Ų62.427%0.26835%0.349SS..THydrogen-bonded Turntrans76.94.3-17300000114.9C96G81-C96 WeakPolarHBondContact O-CB 2.95Å; G81-C96 PolarHBondContact O-N 3.42Å
82Y94.5Very high93.3Very high59 Ų5966.2 Ų66.223%0.23136%0.363CS..EExtended strand (participates in β ladder)trans-127.3147.7173-67.9-105.6000111F62 P79 S80 C93 A94 R95F62-Y82 HydrophobicContact CD2-CD1 4.3Å; F62-Y82 HydrophobicContact CD2-CE1 4.37Å; F62-Y82 AromaticContact CE2-CD1 3.91Å; F62-Y82 HydrophobicContact CE2-CD1 3.91Å; F62-Y82 HydrophobicContact CE2-CD2 4.03Å; F62-Y82 AromaticContact CE2-CE1 3.74Å; F62-Y82 HydrophobicContact CE2-CE1 3.74Å; F62-Y82 AromaticContact CE2-CE2 3.89Å; F62-Y82 HydrophobicContact CE2-CE2 3.89Å; F62-Y82 HydrophobicContact CE2-CG 4.07Å; F62-Y82 AromaticContact CE2-CZ 3.74Å; F62-Y82 HydrophobicContact CZ-CE2 4.38Å; P79-Y82 HydrophobicContact CG-CD2 4.05Å; P79-Y82 HydrophobicContact CG-CG 4.4Å; P79-Y82 WeakPolarHBondContact O-CB 3.42Å; P79-Y82 PolarHBondContact O-N 3.33Å; S80-Y82 VanDerWaalsContact C-N 3.25Å; S80-Y82 PolarHBondContact O-N 3.05Å; Y82-C93 HydrophobicContact CD1-CB 4.22Å; Y82-A94 CarbonylContact C-O 3.58Å; Y82-A94 WeakPolarHBondContact CA-O 3.32Å; Y82-A94 WeakPolarHBondContact CB-O 2.99Å; Y82-R95 HydrophobicContact CD1-CB 4.04Å; Y82-R95 HydrophobicContact CE1-CB 3.73Å; Y82-R95 HydrophobicContact CE1-CG 4.39Å; Y82-R95 PolarHBondContact OH-NE 2.97Å; Y82-R95 PolarHBondContact OH-NH2 2.86Å; Y82-R95 VanDerWaalsContact OH-NH2 3.13Å
83Y95.6Very high93.4Very high27 Ų2766.9 Ų66.911%0.10637%0.367CS..EExtended strand (participates in β ladder)trans-118.4149.6174.471.4-86.6000110.7H85 A94 C104 F105 K107Y83-H85 HydrophobicContact CE2-CB 4.1Å; Y83-H85 PolarHBondContact O-N 3.16Å; Y83-A94 HydrophobicContact CD1-CB 4.18Å; Y83-A94 VanDerWaalsContact CD1-O 3.28Å; Y83-A94 WeakPolarHBondContact CD1-O 3.44Å; Y83-A94 HydrophobicContact CE1-CB 3.6Å; Y83-A94 HydrophobicContact CE2-CB 4.04Å; Y83-A94 PolarHBondContact N-O 3.22Å; Y83-A94 PolarHBondContact O-N 2.99Å; Y83-C104 WeakPolarHBondContact CB-O 3.26Å; Y83-F105 WeakPolarHBondContact CD2-O 3.35Å; Y83-K107 WeakPolarHBondContact OH-CB 3.36Å
84G95.5Very high93.5Very high31 Ų3166.5 Ų66.532%0.3237%0.369SS..EExtended strand (participates in β ladder)trans-76.8118.3178.200000111.1F60F60-G84 VanDerWaalsContact CE1-CA 3.43Å
85H95.1Very high93.4Very high71 Ų7173.4 Ų73.433%0.32939%0.393SS..EExtended strand (participates in β ladder)trans-110.3117.9175-17871.7000109.9Y83 N91 R92 A94Y83-H85 HydrophobicContact CE2-CB 4.1Å; Y83-H85 PolarHBondContact O-N 3.16Å; H85-N91 WeakPolarHBondContact O-CA 3.31Å; H85-R92 HydrophobicContact CB-CG 4.35Å; H85-R92 PolarHBondContact N-O 3.2Å; H85-R92 PolarHBondContact O-N 2.85Å; H85-A94 HydrophobicContact CB-CB 4.38Å
86R93.3Very high93.4Very high181 Ų18172.2 Ų72.268%0.68339%0.388SS*.EExtended strand (participates in β ladder)trans-93.6106.4177.2-60.2-167170.879.7-0.8109.4F60 N91F60-R86 HydrophobicContact CE1-CG 4.24Å; R86-N91 VanDerWaalsContact CA-OD1 3.29Å; R86-N91 WeakPolarHBondContact CA-OD1 3.39Å; R86-N91 VanDerWaalsContact CB-OD1 3.28Å; R86-N91 WeakPolarHBondContact CB-OD1 3.42Å; R86-N91 VanDerWaalsContact CG-OD1 3.25Å; R86-N91 WeakPolarHBondContact CG-OD1 3.39Å
87A89.7Confident93.4Very high16 Ų1675 Ų7513%0.13239%0.393CS..  trans-108.9159.2176.900000110.3D89 M90A87-D89 WeakPolarHBondContact CB-OD1 3.42Å; A87-D89 PolarHBondContact O-N 3.45Å; A87-M90 PolarHBondContact N-O 3.11Å; A87-M90 PolarHBondContact O-N 3.3Å
88P90.3Very high93.5Very high146 Ų14671.9 Ų71.995%0.94837%0.368SS*.SBendtrans-60.5-26.6-177.5-23.534.2000113.9
89D87.9Confident93.5Very high109 Ų10977.9 Ų77.958%0.58339%0.393SS*.SBendtrans-81.1-53178.859.5-36.5000112.1A87A87-D89 WeakPolarHBondContact CB-OD1 3.42Å; A87-D89 PolarHBondContact O-N 3.45Å
90M90.4Very high93.5Very high66 Ų6678.1 Ų78.133%0.32539%0.392SS..  trans-162.4156.1175.962.7178.2-179.500112.5F61 A87F61-M90 HydrophobicContact CB-CE 4.45Å; F61-M90 HydrophobicContact CB-SD 4.07Å; F61-M90 HydrophobicContact CD1-CE 4.06Å; F61-M90 HydrophobicContact CG-CE 4.19Å; F61-M90 HydrophobicContact CG-SD 4.18Å; A87-M90 PolarHBondContact N-O 3.11Å; A87-M90 PolarHBondContact O-N 3.3Å
91N94.9Very high93.7Very high28 Ų2873.3 Ų73.315%0.1536%0.358CS..EExtended strand (participates in β ladder)trans-76.7131.1168.7-58.8-36.1000109.2Q57 L59 F60 F61 H85 R86Q57-N91 PolarHBondContact O-ND2 2.91Å; L59-N91 WeakPolarHBondContact O-CB 3.32Å; F60-N91 WeakPolarHBondContact CA-O 3.43Å; F60-N91 HydrophobicContact CD1-CB 3.68Å; F60-N91 HydrophobicContact CE1-CB 3.92Å; F60-N91 HydrophobicContact CG-CB 4.21Å; F61-N91 WeakPolarHBondContact CB-O 3.42Å; F61-N91 PolarHBondContact N-O 3.47Å; H85-N91 WeakPolarHBondContact O-CA 3.31Å; R86-N91 VanDerWaalsContact CA-OD1 3.29Å; R86-N91 WeakPolarHBondContact CA-OD1 3.39Å; R86-N91 VanDerWaalsContact CB-OD1 3.28Å; R86-N91 WeakPolarHBondContact CB-OD1 3.42Å; R86-N91 VanDerWaalsContact CG-OD1 3.25Å; R86-N91 WeakPolarHBondContact CG-OD1 3.39Å
92R95.5Very high93.9Very high101 Ų10175.3 Ų75.338%0.38136%0.363SS..EExtended strand (participates in β ladder)trans-137.4153.3-17963-177.4170.4-156.8-9.9112.2F61 H85F61-R92 HydrophobicContact CB-CB 4.35Å; F61-R92 CarbonylContact O-C 3.6Å; F61-R92 VanDerWaalsContact O-CA 3.29Å; F61-R92 WeakPolarHBondContact O-CA 3.48Å; H85-R92 HydrophobicContact CB-CG 4.35Å; H85-R92 PolarHBondContact N-O 3.2Å; H85-R92 PolarHBondContact O-N 2.85Å
93C96Very high93.8Very high15 Ų1574.4 Ų74.410%0.10137%0.365CS..EExtended strand (participates in β ladder)trans-86.1114.9171-660000109.8F61 F62 C78 Y82F61-C93 PolarHBondContact O-N 2.93Å; F62-C93 HydrophobicContact CB-CB 4.24Å; F62-C93 HydrophobicContact CD2-CB 3.78Å; F62-C93 HydrophobicContact CG-CB 4.49Å; C78-C93 WeakPolarHBondContact CA-SG 3.43Å; C78-C93 HydrophobicContact CB-CB 3.82Å; C78-C93 WeakPolarHBondContact CB-SG 3.5Å; C78-C93 WeakPolarHBondContact SG-CA 3.27Å; C78-C93 WeakPolarHBondContact SG-CB 3.48Å; C78-C93 CovalentContact SG-SG 2.04Å; C78-C93 PolarHBondContact SG-SG 3.13Å; Y82-C93 HydrophobicContact CD1-CB 4.22Å
94A94.9Very high93.7Very high22 Ų2273.7 Ų73.718%0.18236%0.364CS..EExtended strand (participates in β ladder)trans-99.7139.117600000109.8Y82 Y83 H85Y82-A94 CarbonylContact C-O 3.58Å; Y82-A94 WeakPolarHBondContact CA-O 3.32Å; Y82-A94 WeakPolarHBondContact CB-O 2.99Å; Y83-A94 HydrophobicContact CD1-CB 4.18Å; Y83-A94 VanDerWaalsContact CD1-O 3.28Å; Y83-A94 WeakPolarHBondContact CD1-O 3.44Å; Y83-A94 HydrophobicContact CE1-CB 3.6Å; Y83-A94 HydrophobicContact CE2-CB 4.04Å; Y83-A94 PolarHBondContact N-O 3.22Å; Y83-A94 PolarHBondContact O-N 2.99Å; H85-A94 HydrophobicContact CB-CB 4.38Å
95R94.1Very high93.7Very high161 Ų16179.4 Ų79.461%0.60838%0.38SS*.EExtended strand (participates in β ladder)trans-69.3138.4179.1-175.6-178.9-71.4166.7-3.5110.5Y82 R97Y82-R95 HydrophobicContact CD1-CB 4.04Å; Y82-R95 HydrophobicContact CE1-CB 3.73Å; Y82-R95 HydrophobicContact CE1-CG 4.39Å; Y82-R95 PolarHBondContact OH-NE 2.97Å; Y82-R95 PolarHBondContact OH-NH2 2.86Å; Y82-R95 VanDerWaalsContact OH-NH2 3.13Å; R95-R97 PolarHBondContact O-N 3.24Å
96C94.8Very high93.6Very high21 Ų2177.8 Ų77.814%0.14238%0.377CS..PPolyproline II helixtrans-64.1127.3170.2-151.40000111.1G81 C104G81-C96 WeakPolarHBondContact O-CB 2.95Å; G81-C96 PolarHBondContact O-N 3.42Å; C96-C104 WeakPolarHBondContact CA-SG 3.28Å; C96-C104 HydrophobicContact CB-CB 4.38Å; C96-C104 WeakPolarHBondContact CB-SG 3.39Å; C96-C104 WeakPolarHBondContact SG-CB 3.4Å; C96-C104 CovalentContact SG-SG 2.03Å; C96-C104 PolarHBondContact SG-SG 3.37Å
97R94.8Very high93.6Very high210 Ų21075.1 Ų75.179%0.79237%0.37SS*.  trans-115.73.9178.8-62.9-172.2-177.1-177.6-0.1113.5R95R95-R97 PolarHBondContact O-N 3.24Å
98I95.7Very high93.8Very high28 Ų2878.9 Ų78.914%0.14439%0.388CS..SBendtrans-73.9131.7178.7-54.1172.6000108.2C101 C104 K107 F109 C110I98-C101 HydrophobicContact CB-CB 3.75Å; I98-C101 HydrophobicContact CG2-CB 3.95Å; I98-C101 WeakPolarHBondContact O-CB 3.25Å; I98-C104 HydrophobicContact CD1-CB 3.91Å; I98-K107 WeakPolarHBondContact CG1-O 3.49Å; I98-F109 VanDerWaalsContact CD1-C 3.41Å; I98-C110 HydrophobicContact CD1-CB 3.9Å; I98-C110 VanDerWaalsContact CD1-N 3.29Å; I98-C110 HydrophobicContact CG2-CB 4.26Å
99E94.8Very high94.1Very high156 Ų15676.6 Ų76.673%0.72936%0.363SS*.THydrogen-bonded Turntrans-64.3141.2178.3-62.5-168.8173.700111C101E99-C101 PolarHBondContact O-N 3.42Å
100N94.6Very high94.4Very high53 Ų5371.4 Ų71.428%0.28334%0.336SS..THydrogen-bonded Turntrans54.323179.4-53.9-44.3000115.6K114 F117 C124N100-K114 WeakPolarHBondContact O-CG 3.42Å; N100-K114 PolarHBondContact O-N 3.07Å; N100-F117 HydrophobicContact CB-CD1 3.65Å; N100-F117 HydrophobicContact CB-CD2 3.85Å; N100-F117 HydrophobicContact CB-CE1 3.71Å; N100-F117 HydrophobicContact CB-CE2 3.88Å; N100-F117 HydrophobicContact CB-CG 3.74Å; N100-F117 HydrophobicContact CB-CZ 3.82Å; N100-F117 WeakPolarHBondContact ND2-CE1 3Å; N100-F117 WeakPolarHBondContact ND2-CZ 3.41Å; N100-C124 HydrophobicContact CB-CB 4.06Å; N100-C124 PolarHBondContact O-SG 3.25Å
101C95.3Very high94.6Very high13 Ų1371.5 Ų71.59%0.08834%0.34CS..EExtended strand (participates in β ladder)trans-95.9134.8177-171.70000111.6I98 E99 S103 C110I98-C101 HydrophobicContact CB-CB 3.75Å; I98-C101 HydrophobicContact CG2-CB 3.95Å; I98-C101 WeakPolarHBondContact O-CB 3.25Å; E99-C101 PolarHBondContact O-N 3.42Å; C101-S103 PolarHBondContact SG-O 3.12Å; C101-C110 VanDerWaalsContact CA-SG 3.59Å; C101-C110 HydrophobicContact CB-CB 4.01Å; C101-C110 WeakPolarHBondContact CB-SG 3.37Å; C101-C110 WeakPolarHBondContact SG-CB 3.02Å; C101-C110 CovalentContact SG-SG 2.04Å; C101-C110 PolarHBondContact SG-SG 3.18Å
102D93.3Very high94.5Very high67 Ų6775.9 Ų75.936%0.35836%0.358SS..EExtended strand (participates in β ladder)trans-90.5-45.8174.5-175.435.6000110.6K112 K114D102-K112 WeakPolarHBondContact CB-O 3.38Å; D102-K112 PolarHBondContact N-O 2.97Å; D102-K112 IonicContact OD2-NZ 2.68Å; D102-K112 PolarHBondContact OD2-NZ 3.35Å; D102-K112 VanDerWaalsContact OD2-NZ 3.14Å; D102-K114 HydrophobicContact CB-CG 4.41Å
103S92.7Very high94.5Very high41 Ų4171.8 Ų71.829%0.28735%0.345SS..EExtended strand (participates in β ladder)trans-137.2137.2175660000111.2C101 C110 T111 K112C101-S103 PolarHBondContact SG-O 3.12Å; S103-C110 PolarHBondContact O-SG 3.48Å; S103-T111 PolarHBondContact O-N 2.9Å; S103-T111 PolarHBondContact O-OG1 3.43Å; S103-T111 PolarHBondContact OG-OG1 2.98Å; S103-K112 PolarHBondContact N-O 2.97Å; S103-K112 VanDerWaalsContact N-O 3.14Å; S103-K112 PolarHBondContact O-N 3.41Å; S103-K112 VanDerWaalsContact O-N 3.08Å; S103-K112 WeakPolarHBondContact OG-CB 3.3Å
104C95.1Very high94.4Very high11 Ų1176.2 Ų76.27%0.07436%0.362CS..EExtended strand (participates in β ladder)trans-124.4150.1175.5520000112Y83 C96 I98 F109Y83-C104 WeakPolarHBondContact CB-O 3.26Å; C96-C104 WeakPolarHBondContact CA-SG 3.28Å; C96-C104 HydrophobicContact CB-CB 4.38Å; C96-C104 WeakPolarHBondContact CB-SG 3.39Å; C96-C104 WeakPolarHBondContact SG-CB 3.4Å; C96-C104 CovalentContact SG-SG 2.03Å; C96-C104 PolarHBondContact SG-SG 3.37Å; I98-C104 HydrophobicContact CD1-CB 3.91Å; C104-F109 CarbonylContact C-O 3.53Å; C104-F109 WeakPolarHBondContact CA-O 3.42Å; C104-F109 VanDerWaalsContact CB-O 3.23Å; C104-F109 WeakPolarHBondContact CB-O 3.45Å
105F94.3Very high94.4Very high151 Ų15182 Ų8266%0.66240%0.395SS*.SBendtrans-85.7-38.8175176.1-102.6000111.4Y83 F109 T111Y83-F105 WeakPolarHBondContact CD2-O 3.35Å; F105-F109 HydrophobicContact CB-CD1 4.06Å; F105-F109 PolarHBondContact N-O 2.93Å; F105-T111 HydrophobicContact CB-CG2 3.67Å
106S94.3Very high94.3Very high37 Ų3776.4 Ų76.426%0.25939%0.388SS..SBendtrans-138.5-175.9-178.680.50000110.9D108 F109S106-D108 PolarHBondContact O-N 2.93Å; S106-D108 PolarHBondContact OG-N 1.99Å; S106-F109 PolarHBondContact N-O 2.8Å; S106-F109 VanDerWaalsContact OG-CB 3.24Å; S106-F109 WeakPolarHBondContact OG-CB 3.37Å; S106-F109 PolarHBondContact OG-N 2.88Å; S106-F109 VanDerWaalsContact OG-N 3.17Å
107K92.9Very high94.3Very high126 Ų12677.7 Ų77.755%0.54839%0.391SS..SBendtrans-56.7-36.3176.1-171.1-174.7171.7-166.10112.5Y83 I98Y83-K107 WeakPolarHBondContact OH-CB 3.36Å; I98-K107 WeakPolarHBondContact CG1-O 3.49Å
108D93.4Very high94.3Very high95 Ų9569.6 Ų69.651%0.50836%0.361SS..SBendtrans-120.13.3-169.1-55.2-58.8000112.9S106S106-D108 PolarHBondContact O-N 2.93Å; S106-D108 PolarHBondContact OG-N 1.99Å
109F95.9Very high94.3Very high97 Ų9769.4 Ų69.443%0.42536%0.36SS..  trans-126.6108.7-177.3-162.3-82.9000111.9I98 C104 F105 S106 T111I98-F109 VanDerWaalsContact CD1-C 3.41Å; C104-F109 CarbonylContact C-O 3.53Å; C104-F109 WeakPolarHBondContact CA-O 3.42Å; C104-F109 VanDerWaalsContact CB-O 3.23Å; C104-F109 WeakPolarHBondContact CB-O 3.45Å; F105-F109 HydrophobicContact CB-CD1 4.06Å; F105-F109 PolarHBondContact N-O 2.93Å; S106-F109 PolarHBondContact N-O 2.8Å; S106-F109 VanDerWaalsContact OG-CB 3.24Å; S106-F109 WeakPolarHBondContact OG-CB 3.37Å; S106-F109 PolarHBondContact OG-N 2.88Å; S106-F109 VanDerWaalsContact OG-N 3.17Å; F109-T111 HydrophobicContact CD1-CG2 4.39Å; F109-T111 HydrophobicContact CE1-CG2 4.4Å
110C95.8Very high94.3Very high0 Ų063 Ų630%033%0.33CS..EExtended strand (participates in β ladder)trans-82.5139.2172.3-165.90000110.5I98 C101 S103 K112 L119 G122 C124I98-C110 HydrophobicContact CD1-CB 3.9Å; I98-C110 VanDerWaalsContact CD1-N 3.29Å; I98-C110 HydrophobicContact CG2-CB 4.26Å; C101-C110 VanDerWaalsContact CA-SG 3.59Å; C101-C110 HydrophobicContact CB-CB 4.01Å; C101-C110 WeakPolarHBondContact CB-SG 3.37Å; C101-C110 WeakPolarHBondContact SG-CB 3.02Å; C101-C110 CovalentContact SG-SG 2.04Å; C101-C110 PolarHBondContact SG-SG 3.18Å; S103-C110 PolarHBondContact O-SG 3.48Å; C110-K112 VanDerWaalsContact SG-C 3.55Å; C110-K112 PolarHBondContact SG-O 2.66Å; C110-L119 HydrophobicContact CB-CD1 4.09Å; C110-L119 WeakPolarHBondContact O-CD1 3.42Å; C110-G122 VanDerWaalsContact CB-O 3.23Å; C110-G122 WeakPolarHBondContact CB-O 3.03Å; C110-G122 PolarHBondContact N-O 3.01Å; C110-C124 PolarHBondContact SG-SG 2.89Å
111T94.1Very high94.2Very high69 Ų6969.9 Ų69.942%0.42335%0.352SS..EExtended strand (participates in β ladder)trans-103.1-26.5175.144.40000112.3S103 F105 F109S103-T111 PolarHBondContact O-N 2.9Å; S103-T111 PolarHBondContact O-OG1 3.43Å; S103-T111 PolarHBondContact OG-OG1 2.98Å; F105-T111 HydrophobicContact CB-CG2 3.67Å; F109-T111 HydrophobicContact CD1-CG2 4.39Å; F109-T111 HydrophobicContact CE1-CG2 4.4Å
112K93.3Very high94.1Very high120 Ų12069.3 Ų69.352%0.52235%0.349SS..EExtended strand (participates in β ladder)trans-146.3123.3178.5-167.1-174170.8-154.60110.1D102 S103 C110D102-K112 WeakPolarHBondContact CB-O 3.38Å; D102-K112 PolarHBondContact N-O 2.97Å; D102-K112 IonicContact OD2-NZ 2.68Å; D102-K112 PolarHBondContact OD2-NZ 3.35Å; D102-K112 VanDerWaalsContact OD2-NZ 3.14Å; S103-K112 PolarHBondContact N-O 2.97Å; S103-K112 VanDerWaalsContact N-O 3.14Å; S103-K112 PolarHBondContact O-N 3.41Å; S103-K112 VanDerWaalsContact O-N 3.08Å; S103-K112 WeakPolarHBondContact OG-CB 3.3Å; C110-K112 VanDerWaalsContact SG-C 3.55Å; C110-K112 PolarHBondContact SG-O 2.66Å
113C95.2Very high94.2Very high15 Ų1572.6 Ų72.610%0.10136%0.356CS..EExtended strand (participates in β ladder)trans-80.7160.8175.3-63.50000111.5F117 C124C113-F117 HydrophobicContact CB-CB 3.95Å; C113-F117 WeakPolarHBondContact CB-O 3.44Å; C113-C124 WeakPolarHBondContact CA-SG 3.44Å; C113-C124 HydrophobicContact CB-CB 3.77Å; C113-C124 WeakPolarHBondContact CB-SG 3.29Å; C113-C124 WeakPolarHBondContact SG-CA 3.43Å; C113-C124 WeakPolarHBondContact SG-CB 3.09Å; C113-C124 CovalentContact SG-SG 2.03Å; C113-C124 PolarHBondContact SG-SG 3.21Å
114K94.3Very high94.4Very high107 Ų10771.3 Ų71.347%0.46535%0.347SS..PPolyproline II helixtrans-65.8159.4168.3-67.5-179.3-172.6175.70109.8N100 D102 G116 F117N100-K114 WeakPolarHBondContact O-CG 3.42Å; N100-K114 PolarHBondContact O-N 3.07Å; D102-K114 HydrophobicContact CB-CG 4.41Å; K114-G116 PolarHBondContact O-N 2.82Å; K114-F117 HydrophobicContact CB-CD2 4.19Å; K114-F117 PolarHBondContact O-N 2.66Å
115V93Very high94.4Very high143 Ų14374.2 Ų74.287%0.86736%0.358SS*.THydrogen-bonded Turntrans-56134.6178.1-176.50000110.3
116G92.1Very high94.4Very high45 Ų4572.4 Ų72.446%0.46436%0.355SS..THydrogen-bonded Turntrans84.87.8-178.300000115K114K114-G116 PolarHBondContact O-N 2.82Å
117F95.6Very high94.2Very high48 Ų4878 Ų7821%0.21138%0.378CS..  trans-122.8139.9174.6-66.8-93.5000111.1N100 C113 K114 C124 F125 D126N100-F117 HydrophobicContact CB-CD1 3.65Å; N100-F117 HydrophobicContact CB-CD2 3.85Å; N100-F117 HydrophobicContact CB-CE1 3.71Å; N100-F117 HydrophobicContact CB-CE2 3.88Å; N100-F117 HydrophobicContact CB-CG 3.74Å; N100-F117 HydrophobicContact CB-CZ 3.82Å; N100-F117 WeakPolarHBondContact ND2-CE1 3Å; N100-F117 WeakPolarHBondContact ND2-CZ 3.41Å; C113-F117 HydrophobicContact CB-CB 3.95Å; C113-F117 WeakPolarHBondContact CB-O 3.44Å; K114-F117 HydrophobicContact CB-CD2 4.19Å; K114-F117 PolarHBondContact O-N 2.66Å; F117-C124 HydrophobicContact CB-CB 4.12Å; F117-F125 CarbonylContact C-O 3.58Å; F117-F125 VanDerWaalsContact CA-O 3.25Å; F117-F125 WeakPolarHBondContact CA-O 2.99Å; F117-D126 HydrophobicContact CD1-CB 4.45Å; F117-D126 HydrophobicContact CE1-CB 4.26Å
118Y94.8Very high94.1Very high39 Ų3973.2 Ų73.215%0.15336%0.36CS..EExtended strand (participates in β ladder)trans-93.4134.9177.8-57.5-83.7000111.5C124 F125 D126 P134 E136 M139 C141Y118-C124 WeakPolarHBondContact O-CA 3.3Å; Y118-F125 PolarHBondContact N-O 2.94Å; Y118-F125 PolarHBondContact O-N 3.07Å; Y118-D126 WeakPolarHBondContact CD2-O 3.43Å; Y118-D126 WeakPolarHBondContact CE2-O 3.16Å; Y118-P134 HydrophobicContact CD1-CB 3.79Å; Y118-P134 HydrophobicContact CD2-CB 4.46Å; Y118-P134 HydrophobicContact CE1-CB 3.36Å; Y118-P134 HydrophobicContact CE2-CB 4.1Å; Y118-P134 HydrophobicContact CG-CB 4.32Å; Y118-E136 PolarHBondContact OH-OE2 2.91Å; Y118-M139 WeakPolarHBondContact CA-O 3.41Å; Y118-M139 HydrophobicContact CD1-SD 4.32Å; Y118-M139 HydrophobicContact CE1-SD 3.94Å; Y118-C141 WeakPolarHBondContact CB-SG 3.44Å
119L95.1Very high93.9Very high25 Ų2570.8 Ų70.813%0.13135%0.349CS..EExtended strand (participates in β ladder)trans-80.4123.8175.3-177.269.6000110.5C110 R123 M139 E140 C141C110-L119 HydrophobicContact CB-CD1 4.09Å; C110-L119 WeakPolarHBondContact O-CD1 3.42Å; L119-R123 WeakPolarHBondContact CA-O 3.43Å; L119-M139 PolarHBondContact N-O 3.03Å; L119-E140 HydrophobicContact CB-CG 4.27Å; L119-C141 PolarHBondContact O-N 2.85Å
120H94.6Very high93.3Very high22 Ų2274 Ų7410%0.10237%0.371CS..EExtended strand (participates in β ladder)trans-137.9119.3173.1-174.668.2000110.9G122 R123 F125 F132 C141H120-G122 PolarHBondContact O-N 3Å; H120-G122 VanDerWaalsContact O-N 3.12Å; H120-R123 PolarHBondContact N-O 2.98Å; H120-R123 PolarHBondContact O-N 3.36Å; H120-F125 HydrophobicContact CB-CD2 3.83Å; H120-F125 HydrophobicContact CB-CE2 3.89Å; H120-F132 AromaticContact CE1-CD1 3.58Å; H120-F132 AromaticContact CE1-CD2 3.73Å; H120-F132 AromaticContact CE1-CE1 3.47Å; H120-F132 VanDerWaalsContact CE1-CE1 3.47Å; H120-F132 WeakPolarHBondContact CE1-CE1 3.36Å; H120-F132 AromaticContact CE1-CE2 3.6Å; H120-F132 AromaticContact CE1-CG 3.74Å; H120-F132 AromaticContact CE1-CZ 3.49Å; H120-F132 VanDerWaalsContact CE1-CZ 3.49Å; H120-F132 WeakPolarHBondContact CE1-CZ 3.06Å; H120-F132 AromaticContact ND1-CD1 3.89Å; H120-C141 HydrophobicContact CB-CB 3.76Å
121R93.1Very high92.4Very high196 Ų19676.4 Ų76.474%0.7440%0.395SS*.THydrogen-bonded Turntrans48.540.8177.6-64.3179.9174.2-176.5-0.4113.5
122G93.4Very high91.9Very high2 Ų275.6 Ų75.62%0.02139%0.386CS..THydrogen-bonded Turntrans78.712179.400000115.1C110 H120C110-G122 VanDerWaalsContact CB-O 3.23Å; C110-G122 WeakPolarHBondContact CB-O 3.03Å; C110-G122 PolarHBondContact N-O 3.01Å; H120-G122 PolarHBondContact O-N 3Å; H120-G122 VanDerWaalsContact O-N 3.12Å
123R95.8Very high91.5Very high135 Ų13570.6 Ų70.651%0.50937%0.367SS..EExtended strand (participates in β ladder)trans-125.6159.8173.1-67.2-169.7175.6932.3110.9L119 H120 F125L119-R123 WeakPolarHBondContact CA-O 3.43Å; H120-R123 PolarHBondContact N-O 2.98Å; H120-R123 PolarHBondContact O-N 3.36Å; R123-F125 HydrophobicContact CB-CD2 4.48Å; R123-F125 HydrophobicContact CB-CE2 3.65Å; R123-F125 HydrophobicContact CB-CZ 4.01Å
124C96.1Very high91.1Very high14 Ų1473 Ų7310%0.09538%0.383CS..EExtended strand (participates in β ladder)trans-109.6129.3-176.2-59.30000110.1N100 C110 C113 F117 Y118N100-C124 HydrophobicContact CB-CB 4.06Å; N100-C124 PolarHBondContact O-SG 3.25Å; C110-C124 PolarHBondContact SG-SG 2.89Å; C113-C124 WeakPolarHBondContact CA-SG 3.44Å; C113-C124 HydrophobicContact CB-CB 3.77Å; C113-C124 WeakPolarHBondContact CB-SG 3.29Å; C113-C124 WeakPolarHBondContact SG-CA 3.43Å; C113-C124 WeakPolarHBondContact SG-CB 3.09Å; C113-C124 CovalentContact SG-SG 2.03Å; C113-C124 PolarHBondContact SG-SG 3.21Å; F117-C124 HydrophobicContact CB-CB 4.12Å; Y118-C124 WeakPolarHBondContact O-CA 3.3Å
125F95.4Very high90.7Very high72 Ų7268.8 Ų68.832%0.31637%0.365SS..EExtended strand (participates in β ladder)trans-127.1149.2-179.1-61-89.8000110.4F117 Y118 H120 R123 E127F117-F125 CarbonylContact C-O 3.58Å; F117-F125 VanDerWaalsContact CA-O 3.25Å; F117-F125 WeakPolarHBondContact CA-O 2.99Å; Y118-F125 PolarHBondContact N-O 2.94Å; Y118-F125 PolarHBondContact O-N 3.07Å; H120-F125 HydrophobicContact CB-CD2 3.83Å; H120-F125 HydrophobicContact CB-CE2 3.89Å; R123-F125 HydrophobicContact CB-CD2 4.48Å; R123-F125 HydrophobicContact CB-CE2 3.65Å; R123-F125 HydrophobicContact CB-CZ 4.01Å; F125-E127 VanDerWaalsContact CB-O 3.3Å; F125-E127 WeakPolarHBondContact CB-O 3.04Å
126D94.4Very high90.3Very high113 Ų11367.9 Ų67.960%0.60435%0.351SS*.SBendtrans-71.9-41.2172.353-18000111.5F117 Y118F117-D126 HydrophobicContact CD1-CB 4.45Å; F117-D126 HydrophobicContact CE1-CB 4.26Å; Y118-D126 WeakPolarHBondContact CD2-O 3.43Å; Y118-D126 WeakPolarHBondContact CE2-O 3.16Å
127E91.1Very high89.9Confident156 Ų15673 Ų7373%0.72936%0.363SS*.SBendtrans-123.8145.9171.5-65.2-174.9178.300111F125F125-E127 VanDerWaalsContact CB-O 3.3Å; F125-E127 WeakPolarHBondContact CB-O 3.04Å
128C90.2Very high89.5Confident25 Ų2573.8 Ų73.817%0.16937%0.372CS..PPolyproline II helixtrans-67.8140.8178.3-71.90000111.7F132 P134 C141C128-F132 HydrophobicContact CB-CB 4.15Å; C128-P134 VanDerWaalsContact SG-CA 3.59Å; C128-C141 WeakPolarHBondContact CA-SG 3.43Å; C128-C141 HydrophobicContact CB-CB 3.89Å; C128-C141 WeakPolarHBondContact CB-SG 3.5Å; C128-C141 WeakPolarHBondContact SG-CA 3.49Å; C128-C141 WeakPolarHBondContact SG-CB 3.47Å; C128-C141 CovalentContact SG-SG 2.05Å; C128-C141 PolarHBondContact SG-SG 2.02Å
129P89.4Confident89.3Confident43 Ų4374.8 Ų74.828%0.27938%0.379SS..PPolyproline II helixtrans-66.1163.2179.227.2-33.7000112.2G131 F132P129-G131 PolarHBondContact O-N 3.32Å; P129-F132 HydrophobicContact CG-CB 4.48Å; P129-F132 HydrophobicContact CG-CD2 3.96Å; P129-F132 HydrophobicContact CG-CG 4.44Å; P129-F132 WeakPolarHBondContact O-CB 3.43Å; P129-F132 PolarHBondContact O-N 3.32Å
130D82.3Confident89.1Confident165 Ų16577.6 Ų77.688%0.88239%0.391SS*.THydrogen-bonded Turntrans-50.6132.6-179-68.7-40.3000112.8F132D130-F132 VanDerWaalsContact C-N 3.29Å
131G76.6Confident88.9Confident50 Ų5077.2 Ų77.252%0.51539%0.391SS..THydrogen-bonded Turntrans85.8-5.5-177.300000114.4P129 G144P129-G131 PolarHBondContact O-N 3.32Å; G131-G144 WeakPolarHBondContact O-CA 3.26Å; G131-G144 PolarHBondContact O-N 3.35Å
132F84.2Confident88.6Confident52 Ų5269.7 Ų69.723%0.22837%0.367CS..EExtended strand (participates in β ladder)trans-111.8150.2174.1-63-91.9000110.9H120 C128 P129 D130 C141 V142 E143H120-F132 AromaticContact CE1-CD1 3.58Å; H120-F132 AromaticContact CE1-CD2 3.73Å; H120-F132 AromaticContact CE1-CE1 3.47Å; H120-F132 VanDerWaalsContact CE1-CE1 3.47Å; H120-F132 WeakPolarHBondContact CE1-CE1 3.36Å; H120-F132 AromaticContact CE1-CE2 3.6Å; H120-F132 AromaticContact CE1-CG 3.74Å; H120-F132 AromaticContact CE1-CZ 3.49Å; H120-F132 VanDerWaalsContact CE1-CZ 3.49Å; H120-F132 WeakPolarHBondContact CE1-CZ 3.06Å; H120-F132 AromaticContact ND1-CD1 3.89Å; C128-F132 HydrophobicContact CB-CB 4.15Å; P129-F132 HydrophobicContact CG-CB 4.48Å; P129-F132 HydrophobicContact CG-CD2 3.96Å; P129-F132 HydrophobicContact CG-CG 4.44Å; P129-F132 WeakPolarHBondContact O-CB 3.43Å; P129-F132 PolarHBondContact O-N 3.32Å; D130-F132 VanDerWaalsContact C-N 3.29Å; F132-C141 HydrophobicContact CB-CB 4.08Å; F132-V142 CarbonylContact C-O 3.53Å; F132-V142 VanDerWaalsContact CA-O 3.26Å; F132-V142 WeakPolarHBondContact CA-O 3.44Å; F132-V142 WeakPolarHBondContact CB-O 3.42Å; F132-V142 WeakPolarHBondContact CD1-O 3.04Å; F132-E143 HydrophobicContact CD1-CG 4.35Å; F132-E143 HydrophobicContact CE1-CB 4.49Å; F132-E143 HydrophobicContact CE1-CG 3.7Å; F132-E143 HydrophobicContact CZ-CG 4.44Å
133A84.6Confident88Confident15 Ų1574.5 Ų74.512%0.12439%0.389CS..EExtended strand (participates in β ladder)trans-117.4144.1175.300000110.3V142 I185A133-V142 PolarHBondContact N-O 3.42Å; A133-V142 WeakPolarHBondContact O-CG2 3.05Å; A133-V142 PolarHBondContact O-N 3.27Å; A133-I185 HydrophobicContact CB-CG2 3.33Å
134P88Confident87Confident67 Ų6768.3 Ų68.344%0.43537%0.367SS..EExtended strand (participates in β ladder)trans-69.8134.2174.528.3-32.7000110.5Y118 C128Y118-P134 HydrophobicContact CD1-CB 3.79Å; Y118-P134 HydrophobicContact CD2-CB 4.46Å; Y118-P134 HydrophobicContact CE1-CB 3.36Å; Y118-P134 HydrophobicContact CE2-CB 4.1Å; Y118-P134 HydrophobicContact CG-CB 4.32Å; C128-P134 VanDerWaalsContact SG-CA 3.59Å
135L85.1Confident86.1Confident17 Ų1768.1 Ų68.19%0.08937%0.365CS..EExtended strand (participates in β ladder)trans-108.8106.2170.3-177.961.1000109.6E137 T138 M139 E140 V142 K182L135-E137 VanDerWaalsContact C-N 3.29Å; L135-E137 HydrophobicContact CD1-CB 4.48Å; L135-E137 HydrophobicContact CG-CB 4.42Å; L135-E137 PolarHBondContact O-N 3.18Å; L135-T138 HydrophobicContact CD2-CG2 4.28Å; L135-T138 WeakPolarHBondContact CD2-OG1 3.23Å; L135-T138 PolarHBondContact O-N 2.87Å; L135-M139 WeakPolarHBondContact O-CA 3.49Å; L135-M139 PolarHBondContact O-N 2.93Å; L135-E140 WeakPolarHBondContact CB-O 3.43Å; L135-E140 PolarHBondContact N-O 3.12Å; L135-E140 PolarHBondContact O-N 2.82Å; L135-V142 HydrophobicContact CB-CG1 4.22Å; L135-V142 HydrophobicContact CB-CG2 4.12Å; L135-V142 HydrophobicContact CD2-CG1 4.02Å; L135-K182 HydrophobicContact CD1-CD 4.25Å; L135-K182 HydrophobicContact CD2-CD 4.39Å
136E84.1Confident85.2Confident124 Ų12469.1 Ų69.158%0.57937%0.371SS*.THydrogen-bonded Turntrans-64.2-32.3-174.2-159.861.5-156.200113.3Y118 T138Y118-E136 PolarHBondContact OH-OE2 2.91Å; E136-T138 VanDerWaalsContact C-N 3.3Å; E136-T138 PolarHBondContact O-N 3.42Å
137E84.5Confident84.7Confident153 Ų15365.7 Ų65.772%0.71535%0.354SS*.THydrogen-bonded Turntrans-62-36.6-179.5-173.8-176.8-169.300112.6L135 K182L135-E137 VanDerWaalsContact C-N 3.29Å; L135-E137 HydrophobicContact CD1-CB 4.48Å; L135-E137 HydrophobicContact CG-CB 4.42Å; L135-E137 PolarHBondContact O-N 3.18Å; E137-K182 IonicContact OE2-NZ 3.57Å; E137-K182 PolarHBondContact OE2-NZ 3.01Å
138T86.1Confident84.3Confident64 Ų6459.2 Ų59.239%0.39333%0.33SS..THydrogen-bonded Turntrans-115.6-7.9-174.861.80000113.8L135 E136 E140L135-T138 HydrophobicContact CD2-CG2 4.28Å; L135-T138 WeakPolarHBondContact CD2-OG1 3.23Å; L135-T138 PolarHBondContact O-N 2.87Å; E136-T138 VanDerWaalsContact C-N 3.3Å; E136-T138 PolarHBondContact O-N 3.42Å; T138-E140 VanDerWaalsContact C-N 3.29Å; T138-E140 PolarHBondContact O-N 3.2Å; T138-E140 PolarHBondContact OG1-OE2 3.32Å
139M90.8Very high84.3Confident60 Ų6066.8 Ų66.830%0.29636%0.362SS..THydrogen-bonded Turntrans55.443.4-171.7-66.8-68.7-154.200112.3Y118 L119 L135Y118-M139 WeakPolarHBondContact CA-O 3.41Å; Y118-M139 HydrophobicContact CD1-SD 4.32Å; Y118-M139 HydrophobicContact CE1-SD 3.94Å; L119-M139 PolarHBondContact N-O 3.03Å; L135-M139 WeakPolarHBondContact O-CA 3.49Å; L135-M139 PolarHBondContact O-N 2.93Å
140E91.4Very high84.3Confident84 Ų8468 Ų6839%0.39336%0.361SS..EExtended strand (participates in β ladder)trans-124.3150-179.4-63.7179.7147.400111.3L119 L135 T138L119-E140 HydrophobicContact CB-CG 4.27Å; L135-E140 WeakPolarHBondContact CB-O 3.43Å; L135-E140 PolarHBondContact N-O 3.12Å; L135-E140 PolarHBondContact O-N 2.82Å; T138-E140 VanDerWaalsContact C-N 3.29Å; T138-E140 PolarHBondContact O-N 3.2Å; T138-E140 PolarHBondContact OG1-OE2 3.32Å
141C90.1Very high84.7Confident14 Ų1462.5 Ų62.510%0.09534%0.335CS..EExtended strand (participates in β ladder)trans-88.3110170.3-64.60000109.8Y118 L119 H120 C128 F132Y118-C141 WeakPolarHBondContact CB-SG 3.44Å; L119-C141 PolarHBondContact O-N 2.85Å; H120-C141 HydrophobicContact CB-CB 3.76Å; C128-C141 WeakPolarHBondContact CA-SG 3.43Å; C128-C141 HydrophobicContact CB-CB 3.89Å; C128-C141 WeakPolarHBondContact CB-SG 3.5Å; C128-C141 WeakPolarHBondContact SG-CA 3.49Å; C128-C141 WeakPolarHBondContact SG-CB 3.47Å; C128-C141 CovalentContact SG-SG 2.05Å; C128-C141 PolarHBondContact SG-SG 2.02Å; F132-C141 HydrophobicContact CB-CB 4.08Å
142V87.1Confident85.5Confident39 Ų3968.1 Ų68.124%0.23635%0.348CS..EExtended strand (participates in β ladder)trans-99.8156.2178.1-64.60000110.6F132 A133 L135 G144 I185F132-V142 CarbonylContact C-O 3.53Å; F132-V142 VanDerWaalsContact CA-O 3.26Å; F132-V142 WeakPolarHBondContact CA-O 3.44Å; F132-V142 WeakPolarHBondContact CB-O 3.42Å; F132-V142 WeakPolarHBondContact CD1-O 3.04Å; A133-V142 PolarHBondContact N-O 3.42Å; A133-V142 WeakPolarHBondContact O-CG2 3.05Å; A133-V142 PolarHBondContact O-N 3.27Å; L135-V142 HydrophobicContact CB-CG1 4.22Å; L135-V142 HydrophobicContact CB-CG2 4.12Å; L135-V142 HydrophobicContact CD2-CG1 4.02Å; V142-G144 PolarHBondContact O-N 2.87Å; V142-I185 HydrophobicContact CG2-CD1 3.46Å; V142-I185 VanDerWaalsContact CG2-CD1 3.46Å
143E81.4Confident85.8Confident103 Ų10368.1 Ų68.148%0.48135%0.347SS..EExtended strand (participates in β ladder)trans-56.1116.4175.9-72-176.2-176.800109.5F132 K178F132-E143 HydrophobicContact CD1-CG 4.35Å; F132-E143 HydrophobicContact CE1-CB 4.49Å; F132-E143 HydrophobicContact CE1-CG 3.7Å; F132-E143 HydrophobicContact CZ-CG 4.44Å; E143-K178 IonicContact OE2-NZ 3.88Å; E143-K178 PolarHBondContact OE2-NZ 2.81Å
144G74.1Confident86Confident5 Ų569 Ų695%0.05236%0.357CS..  trans-80.3-170.3176.600000110.9G131 V142 E146G131-G144 WeakPolarHBondContact O-CA 3.26Å; G131-G144 PolarHBondContact O-N 3.35Å; V142-G144 PolarHBondContact O-N 2.87Å; G144-E146 PolarHBondContact O-N 3.45Å
145C78.1Confident86.1Confident9 Ų972.3 Ų72.36%0.06138%0.377CS..  trans-71.9123.2174.9-480000110.7V147 I176 K178 P180 C187C145-V147 PolarHBondContact O-N 3.34Å; C145-I176 HydrophobicContact CB-CG2 4.23Å; C145-K178 VanDerWaalsContact CA-O 3.3Å; C145-K178 WeakPolarHBondContact CA-O 3.4Å; C145-P180 WeakPolarHBondContact SG-CD 3.47Å; C145-P180 VanDerWaalsContact SG-CG 3.57Å; C145-C187 HydrophobicContact CB-CB 3.6Å; C145-C187 WeakPolarHBondContact CB-SG 3.36Å; C145-C187 WeakPolarHBondContact SG-CA 3.22Å; C145-C187 WeakPolarHBondContact SG-CB 3.39Å; C145-C187 CovalentContact SG-SG 2.02Å; C145-C187 PolarHBondContact SG-SG 3.25Å
146E75.5Confident86.4Confident93 Ų9373.3 Ų73.344%0.43538%0.384SS..EExtended strand (participates in β ladder)trans-77.3124.2167.2-61.9175.1-173.100108.3G144 V177 K178G144-E146 PolarHBondContact O-N 3.45Å; E146-V177 PolarHBondContact O-N 3.09Å; E146-K178 HydrophobicContact CB-CB 3.7Å; E146-K178 HydrophobicContact CG-CB 3.95Å; E146-K178 HydrophobicContact CG-CD 4.22Å; E146-K178 PolarHBondContact N-O 2.84Å; E146-K178 VanDerWaalsContact N-O 3.08Å; E146-K178 PolarHBondContact O-N 3.14Å; E146-K178 VanDerWaalsContact O-N 3.09Å; E146-K178 IonicContact OE1-NZ 3.85Å
147V83.4Confident86.6Confident41 Ų4170.1 Ų70.125%0.24838%0.376CS..EExtended strand (participates in β ladder)trans-109.5141.5176.9-70.40000109.8C145 R174 Q175 I176 P188C145-V147 PolarHBondContact O-N 3.34Å; V147-R174 HydrophobicContact CB-CG 4.46Å; V147-Q175 WeakPolarHBondContact CA-O 3.23Å; V147-I176 HydrophobicContact CG1-CG1 4.14Å; V147-P188 HydrophobicContact CG1-CG 3.95Å; V147-P188 HydrophobicContact CG2-CG 4.34Å
148G84Confident86.6Confident21 Ų2168.6 Ų68.622%0.21636%0.363CS..  trans-74.4-179.3-18000000112.5Q175G148-Q175 PolarHBondContact N-O 2.75Å
149H88.7Confident86.2Confident184 Ų18470.2 Ų70.285%0.85237%0.37SS*.PPolyproline II helixtrans-60.2146.7173.1-65.592.6000111
150W90.1Very high85.7Confident68 Ų6875 Ų7526%0.25840%0.397SS..PPolyproline II helixtrans-62139.7169.3-74.2109.7000110.4R172 R174 I190 E192W150-R172 HydrophobicContact CD2-CG 4.2Å; W150-R172 HydrophobicContact CE3-CB 4.42Å; W150-R172 HydrophobicContact CE3-CG 3.65Å; W150-R172 HydrophobicContact CZ3-CG 4.12Å; W150-R174 HydrophobicContact CD2-CB 4.07Å; W150-R174 HydrophobicContact CD2-CG 4.09Å; W150-R174 HydrophobicContact CE3-CB 3.74Å; W150-R174 HydrophobicContact CE3-CG 3.78Å; W150-R174 HydrophobicContact CH2-CG 3.88Å; W150-R174 HydrophobicContact CZ2-CG 4.18Å; W150-R174 VanDerWaalsContact CZ2-NE 3.27Å; W150-R174 HydrophobicContact CZ3-CB 4.11Å; W150-R174 HydrophobicContact CZ3-CG 3.68Å; W150-I190 WeakPolarHBondContact CZ3-O 3.45Å; W150-E192 HydrophobicContact CH2-CB 3.79Å; W150-E192 HydrophobicContact CZ2-CB 4.31Å; W150-E192 HydrophobicContact CZ3-CB 4.03Å
151S90.4Very high85.1Confident49 Ų4978 Ų7834%0.34340%0.404SS..PPolyproline II helixtrans-60.9160.4164.974.40000110.3T173S151-T173 VanDerWaalsContact CB-O 3.26Å; S151-T173 WeakPolarHBondContact CB-O 3.17Å; S151-T173 PolarHBondContact N-O 3.08Å; S151-T173 PolarHBondContact OG-N 3.33Å; S151-T173 PolarHBondContact OG-O 3.48Å
152E93.3Very high84.7Confident169 Ų16982.7 Ų82.779%0.7943%0.433SS*.PPolyproline II helixtrans-53.3152160.1-69.5-55.9135.400110.5G154E152-G154 PolarHBondContact O-N 2.03Å
153W91.3Very high84.5Confident52 Ų5282.6 Ų82.620%0.19743%0.433CS..PPolyproline II helixtrans-63.7128.6176.8-71.795.6000110E170 R172 E192 R194W153-E170 HydrophobicContact CB-CG 4.47Å; W153-E170 WeakPolarHBondContact CB-OE2 3.43Å; W153-E170 HydrophobicContact CD2-CG 4.21Å; W153-E170 HydrophobicContact CE3-CB 4.34Å; W153-E170 HydrophobicContact CE3-CG 3.69Å; W153-E170 HydrophobicContact CZ3-CG 4.31Å; W153-R172 HydrophobicContact CD2-CB 4.08Å; W153-R172 HydrophobicContact CD2-CG 4.1Å; W153-R172 VanDerWaalsContact CE2-CD 3.48Å; W153-R172 HydrophobicContact CE3-CB 3.77Å; W153-R172 HydrophobicContact CE3-CG 3.77Å; W153-R172 HydrophobicContact CH2-CG 3.7Å; W153-R172 VanDerWaalsContact CZ2-CD 3.4Å; W153-R172 HydrophobicContact CZ2-CG 4Å; W153-R172 VanDerWaalsContact CZ2-NE 3.26Å; W153-R172 HydrophobicContact CZ3-CB 4.05Å; W153-R172 HydrophobicContact CZ3-CG 3.57Å; W153-E192 HydrophobicContact CH2-CB 4.41Å; W153-E192 HydrophobicContact CH2-CG 4.05Å; W153-R194 VanDerWaalsContact CD1-CZ 3.48Å; W153-R194 VanDerWaalsContact CD1-NH2 3.25Å; W153-R194 HydrophobicContact CD2-CG 4.33Å; W153-R194 HydrophobicContact CE3-CG 3.96Å; W153-R194 HydrophobicContact CH2-CB 3.96Å; W153-R194 HydrophobicContact CH2-CG 3.63Å; W153-R194 VanDerWaalsContact CZ2-CD 3.47Å; W153-R194 HydrophobicContact CZ2-CG 4.05Å; W153-R194 HydrophobicContact CZ3-CB 4.12Å; W153-R194 HydrophobicContact CZ3-CG 3.59Å; W153-R194 VanDerWaalsContact NE1-CZ 3.27Å; W153-R194 VanDerWaalsContact NE1-NH1 3.11Å
154G89.4Confident84.4Confident33 Ų3380 Ų8034%0.3443%0.434SS..PPolyproline II helixtrans-61.8166.917400000112E152 E170 T171E152-G154 PolarHBondContact O-N 2.03Å; G154-E170 WeakPolarHBondContact O-CB 3.2Å; G154-T171 WeakPolarHBondContact CA-O 3.03Å; G154-T171 PolarHBondContact N-O 3.03Å
155T90.1Very high84.8Confident137 Ų13780.4 Ų80.484%0.8444%0.435SS*.PPolyproline II helixtrans-59.5144.6177.960.20000111.7S157T155-S157 PolarHBondContact O-N 2.74Å
156C90.4Very high85.1Confident37 Ų3785.7 Ų85.725%0.2546%0.457CS..  trans-65.6106.1179.4-172.60000110.8C196 M198C156-C196 WeakPolarHBondContact CA-SG 3.35Å; C156-C196 HydrophobicContact CB-CB 3.73Å; C156-C196 WeakPolarHBondContact CB-SG 3.49Å; C156-C196 WeakPolarHBondContact SG-CB 3.47Å; C156-C196 CovalentContact SG-SG 1.99Å; C156-C196 PolarHBondContact SG-SG 3.01Å; C156-M198 HydrophobicContact CB-CE 4.25Å; C156-M198 HydrophobicContact CB-CG 4.34Å; C156-M198 WeakPolarHBondContact O-CE 3.43Å; C156-M198 WeakPolarHBondContact SG-CG 3.48Å
157S88.6Confident85.5Confident58 Ų5887.3 Ų87.341%0.40646%0.459SS..BIsolated β-bridgetrans-81.8140.2-178.9-177.90000111.8T155 N159 G168 L169T155-S157 PolarHBondContact O-N 2.74Å; S157-N159 VanDerWaalsContact C-N 3.35Å; S157-G168 CarbonylContact O-C 3.53Å; S157-G168 WeakPolarHBondContact O-CA 2.9Å; S157-L169 WeakPolarHBondContact CB-O 3.4Å; S157-L169 PolarHBondContact N-O 3.31Å; S157-L169 PolarHBondContact O-N 2.9Å
158R84Confident85.8Confident120 Ų12085.7 Ų85.745%0.45345%0.45SS..  trans-90.89.5-178.569.1-174.788170.16.5114N160 R161 M198R158-N160 VanDerWaalsContact C-N 3.27Å; R158-N160 PolarHBondContact O-N 2.94Å; R158-R161 WeakPolarHBondContact CD-O 3.18Å; R158-R161 WeakPolarHBondContact CG-O 3.25Å; R158-R161 WeakPolarHBondContact O-CB 3.11Å; R158-R161 PolarHBondContact O-N 2.98Å; R158-M198 HydrophobicContact CB-CE 4.34Å; R158-M198 HydrophobicContact CB-SD 4.3Å
159N77.7Confident86.1Confident98 Ų9887.3 Ų87.352%0.52445%0.454SS..THydrogen-bonded Turntrans45.248.3-176.8-63.6-1.9000112.7S157 R161S157-N159 VanDerWaalsContact C-N 3.35Å; N159-R161 PolarHBondContact O-N 3.38Å; N159-R161 VanDerWaalsContact O-N 3.13Å
160N81.5Confident86.2Confident162 Ų16279.8 Ų79.887%0.86642%0.419SS*.THydrogen-bonded Turntrans59.515-178.3-62.7-17.9000116.8R158R158-N160 VanDerWaalsContact C-N 3.27Å; R158-N160 PolarHBondContact O-N 2.94Å
161R77.8Confident86.3Confident146 Ų14679.7 Ų79.755%0.55143%0.426SS*.  trans-85.9131.8174.7-60.7-177.8-178.2-152.2-5.9111.4R158 N159 F165R158-R161 WeakPolarHBondContact CD-O 3.18Å; R158-R161 WeakPolarHBondContact CG-O 3.25Å; R158-R161 WeakPolarHBondContact O-CB 3.11Å; R158-R161 PolarHBondContact O-N 2.98Å; N159-R161 PolarHBondContact O-N 3.38Å; N159-R161 VanDerWaalsContact O-N 3.13Å; R161-F165 HydrophobicContact CB-CD1 4.15Å; R161-F165 WeakPolarHBondContact O-CE1 3.34Å
162T81.3Confident86.3Confident113 Ų11380 Ų8069%0.69342%0.42SS*.SBendtrans-91.9-23.8179.952.50000113.6
163C82.9Confident86.1Confident36 Ų3675 Ų7524%0.24340%0.401CS..SBendtrans-151.8170.5176.769.50000111.3F165 C203C163-F165 PolarHBondContact O-N 3.49Å; C163-C203 HydrophobicContact CB-CB 3.85Å; C163-C203 WeakPolarHBondContact CB-SG 2.97Å; C163-C203 WeakPolarHBondContact SG-CA 3.49Å; C163-C203 WeakPolarHBondContact SG-CB 3.08Å; C163-C203 CovalentContact SG-SG 2.04Å; C163-C203 PolarHBondContact SG-SG 3.13Å
164G80.4Confident86Confident49 Ų4974.7 Ų74.751%0.50540%0.4SS..SBendtrans75.517.5175.900000115.2R201 C203G164-R201 WeakPolarHBondContact CA-O 3.42Å; G164-R201 PolarHBondContact N-O 3.5Å; G164-C203 PolarHBondContact N-SG 3.32Å; G164-C203 VanDerWaalsContact N-SG 3.42Å
165F81.8Confident85.8Confident13 Ų1379.6 Ų79.66%0.05741%0.414CS..  trans-108142-179.859.7-95.2000111.7R161 C163 M198 M200 R201R161-F165 HydrophobicContact CB-CD1 4.15Å; R161-F165 WeakPolarHBondContact O-CE1 3.34Å; C163-F165 PolarHBondContact O-N 3.49Å; F165-M198 HydrophobicContact CD2-CB 4.19Å; F165-M198 HydrophobicContact CD2-SD 4.08Å; F165-M198 HydrophobicContact CE2-CB 4.3Å; F165-M198 HydrophobicContact CE2-CE 4.45Å; F165-M198 HydrophobicContact CE2-SD 4.23Å; F165-M200 WeakPolarHBondContact O-CA 3.38Å; F165-R201 HydrophobicContact CE1-CB 3.99Å; F165-R201 HydrophobicContact CE1-CG 4.29Å; F165-R201 HydrophobicContact CE2-CB 4.48Å; F165-R201 HydrophobicContact CE2-CG 4.31Å; F165-R201 HydrophobicContact CZ-CB 3.91Å; F165-R201 HydrophobicContact CZ-CG 3.75Å
166K84.1Confident85.4Confident120 Ų12076.2 Ų76.252%0.52239%0.39SS..SBendtrans-122-14172.3-179.7169.2-179.51660112.1M198K166-M198 PolarHBondContact O-N 2.9Å
167W84.6Confident85Confident127 Ų12779.4 Ų79.448%0.48141%0.408SS..EExtended strand (participates in β ladder)trans-137140-175.6-57.895.2000108.4C196 K197W167-C196 CarbonylContact C-O 3.45Å; W167-C196 VanDerWaalsContact CA-O 3.26Å; W167-C196 WeakPolarHBondContact CA-O 2.95Å; W167-K197 HydrophobicContact CE3-CB 4.43Å; W167-K197 HydrophobicContact CE3-CG 3.68Å; W167-K197 HydrophobicContact CH2-CD 4.02Å; W167-K197 HydrophobicContact CH2-CG 3.5Å; W167-K197 VanDerWaalsContact CH2-CG 3.5Å; W167-K197 HydrophobicContact CZ2-CG 4.32Å; W167-K197 HydrophobicContact CZ3-CB 4.28Å; W167-K197 HydrophobicContact CZ3-CD 4.07Å; W167-K197 HydrophobicContact CZ3-CG 3.13Å
168G89Confident84.4Confident7 Ų780.7 Ų80.77%0.07241%0.406CS..EExtended strand (participates in β ladder)trans-116.5-171.5169.200000111.2S157 R195 C196S157-G168 CarbonylContact O-C 3.53Å; S157-G168 WeakPolarHBondContact O-CA 2.9Å; G168-R195 WeakPolarHBondContact O-CA 3.41Å; G168-C196 PolarHBondContact N-O 2.9Å; G168-C196 PolarHBondContact O-N 2.05Å; G168-C196 VanDerWaalsContact O-N 3.12Å; G168-C196 PolarHBondContact O-SG 2.89Å
169L90.1Very high83.7Confident55 Ų5583 Ų8329%0.28842%0.419SS..EExtended strand (participates in β ladder)trans-120.3128.4173-158.879.6000108.7S157 R194 C196S157-L169 WeakPolarHBondContact CB-O 3.4Å; S157-L169 PolarHBondContact N-O 3.31Å; S157-L169 PolarHBondContact O-N 2.9Å; L169-R194 WeakPolarHBondContact CA-O 3.42Å; L169-R194 WeakPolarHBondContact CD1-O 3.44Å; L169-C196 VanDerWaalsContact C-SG 3.56Å
170E91.8Very high83.6Confident26 Ų2679.2 Ų79.212%0.12140%0.4CS..EExtended strand (participates in β ladder)trans-110141.6168.462.8-167.4139.400108.1W153 G154 S193 R194 C196W153-E170 HydrophobicContact CB-CG 4.47Å; W153-E170 WeakPolarHBondContact CB-OE2 3.43Å; W153-E170 HydrophobicContact CD2-CG 4.21Å; W153-E170 HydrophobicContact CE3-CB 4.34Å; W153-E170 HydrophobicContact CE3-CG 3.69Å; W153-E170 HydrophobicContact CZ3-CG 4.31Å; G154-E170 WeakPolarHBondContact O-CB 3.2Å; E170-S193 CarbonylContact O-C 3.56Å; E170-S193 WeakPolarHBondContact O-CA 3.28Å; E170-R194 VanDerWaalsContact CD-NH2 3.33Å; E170-R194 HydrophobicContact CG-CG 3.45Å; E170-R194 VanDerWaalsContact CG-CG 3.45Å; E170-R194 PolarHBondContact N-O 2.95Å; E170-R194 PolarHBondContact O-N 3.12Å; E170-R194 WeakPolarHBondContact OE1-CG 3.5Å; E170-R194 IonicContact OE1-CZ 3.91Å; E170-R194 IonicContact OE1-NE 2.98Å; E170-R194 PolarHBondContact OE1-NE 2.68Å; E170-R194 IonicContact OE1-NH2 3.72Å; E170-R194 PolarHBondContact OE1-NH2 3.2Å; E170-R194 IonicContact OE2-CZ 3.33Å; E170-R194 IonicContact OE2-NE 2.66Å; E170-R194 IonicContact OE2-NH2 3.18Å; E170-R194 PolarHBondContact OE2-NH2 3.01Å; E170-C196 HydrophobicContact CB-CB 4.41Å; E170-C196 HydrophobicContact CG-CB 4.13Å; E170-C196 WeakPolarHBondContact OE1-CB 3.02Å
171T91.4Very high82.9Confident66 Ų6676.4 Ų76.441%0.40540%0.4SS..EExtended strand (participates in β ladder)trans-123.5138.1-177.1-55.60000108.2G154 E192G154-T171 WeakPolarHBondContact CA-O 3.03Å; G154-T171 PolarHBondContact N-O 3.03Å; T171-E192 CarbonylContact C-O 3.48Å; T171-E192 VanDerWaalsContact CA-O 3.31Å; T171-E192 WeakPolarHBondContact CA-O 3.29Å; T171-E192 WeakPolarHBondContact CG2-O 3.19Å
172R90.7Very high82.4Confident55 Ų5573.5 Ų73.521%0.20839%0.391CS..EExtended strand (participates in β ladder)trans-120.7155.2167.967.2178.6-177.6175.7-2.9109.8W150 W153 E192W150-R172 HydrophobicContact CD2-CG 4.2Å; W150-R172 HydrophobicContact CE3-CB 4.42Å; W150-R172 HydrophobicContact CE3-CG 3.65Å; W150-R172 HydrophobicContact CZ3-CG 4.12Å; W153-R172 HydrophobicContact CD2-CB 4.08Å; W153-R172 HydrophobicContact CD2-CG 4.1Å; W153-R172 VanDerWaalsContact CE2-CD 3.48Å; W153-R172 HydrophobicContact CE3-CB 3.77Å; W153-R172 HydrophobicContact CE3-CG 3.77Å; W153-R172 HydrophobicContact CH2-CG 3.7Å; W153-R172 VanDerWaalsContact CZ2-CD 3.4Å; W153-R172 HydrophobicContact CZ2-CG 4Å; W153-R172 VanDerWaalsContact CZ2-NE 3.26Å; W153-R172 HydrophobicContact CZ3-CB 4.05Å; W153-R172 HydrophobicContact CZ3-CG 3.57Å; R172-E192 HydrophobicContact CG-CB 4.09Å; R172-E192 IonicContact CZ-OE2 2.82Å; R172-E192 PolarHBondContact N-O 2.04Å; R172-E192 IonicContact NE-OE2 3.14Å; R172-E192 PolarHBondContact NE-OE2 2.81Å; R172-E192 IonicContact NH2-OE1 2.66Å; R172-E192 IonicContact NH2-OE2 2.87Å; R172-E192 PolarHBondContact NH2-OE2 2.92Å; R172-E192 PolarHBondContact O-N 3.16Å
173T90.1Very high81.5Confident65 Ų6576 Ų7640%0.39940%0.4SS..EExtended strand (participates in β ladder)trans-131.8153.6-179.558.80000110.4S151 I190 A191S151-T173 VanDerWaalsContact CB-O 3.26Å; S151-T173 WeakPolarHBondContact CB-O 3.17Å; S151-T173 PolarHBondContact N-O 3.08Å; S151-T173 PolarHBondContact OG-N 3.33Å; S151-T173 PolarHBondContact OG-O 3.48Å; T173-I190 CarbonylContact C-O 3.56Å; T173-I190 VanDerWaalsContact CA-O 3.27Å; T173-I190 WeakPolarHBondContact CA-O 3.38Å; T173-A191 HydrophobicContact CG2-CB 4.31Å
174R88.1Confident80.7Confident46 Ų4679.6 Ų79.617%0.17442%0.422CS..  trans-130.5154.3170.461.6-177.2174.3177.8-0109V147 W150 T189 I190V147-R174 HydrophobicContact CB-CG 4.46Å; W150-R174 HydrophobicContact CD2-CB 4.07Å; W150-R174 HydrophobicContact CD2-CG 4.09Å; W150-R174 HydrophobicContact CE3-CB 3.74Å; W150-R174 HydrophobicContact CE3-CG 3.78Å; W150-R174 HydrophobicContact CH2-CG 3.88Å; W150-R174 HydrophobicContact CZ2-CG 4.18Å; W150-R174 VanDerWaalsContact CZ2-NE 3.27Å; W150-R174 HydrophobicContact CZ3-CB 4.11Å; W150-R174 HydrophobicContact CZ3-CG 3.68Å; R174-T189 PolarHBondContact NE-O 3.14Å; R174-T189 PolarHBondContact NH2-O 2.83Å; R174-I190 HydrophobicContact CG-CB 4.42Å; R174-I190 PolarHBondContact N-O 3.5Å; R174-I190 WeakPolarHBondContact O-CB 3.45Å
175Q84.6Confident80.1Confident135 Ų13578 Ų7863%0.63140%0.401SS*.  trans-96.2153.7178.5-59.1-58.5-50.600110.6V147 G148V147-Q175 WeakPolarHBondContact CA-O 3.23Å; G148-Q175 PolarHBondContact N-O 2.75Å
176I83.2Confident79.5Confident66 Ų6683 Ų8334%0.33844%0.435SS..EExtended strand (participates in β ladder)trans-80.1117.5166.9-63.9158.8000106.9C145 V147 K178 K179 C187 I190C145-I176 HydrophobicContact CB-CG2 4.23Å; V147-I176 HydrophobicContact CG1-CG1 4.14Å; I176-K178 VanDerWaalsContact CG2-O 3.29Å; I176-K178 WeakPolarHBondContact CG2-O 3.41Å; I176-K179 HydrophobicContact CG2-CG 4.31Å; I176-C187 HydrophobicContact CD1-CB 3.86Å; I176-C187 HydrophobicContact CG1-CB 4.32Å; I176-I190 HydrophobicContact CD1-CG2 4.15Å; I176-I190 HydrophobicContact CG1-CG2 3.84Å
177V81.1Confident78.9Confident104 Ų10479.3 Ų79.363%0.6342%0.424SS*.EExtended strand (participates in β ladder)trans-83.6-42.2179.6176.70000110E146E146-V177 PolarHBondContact O-N 3.09Å
178K75.7Confident78.5Confident85 Ų8576.1 Ų76.137%0.3742%0.42SS..EExtended strand (participates in β ladder)trans-130.7129.1178.1-161.5-175.2-178.5-173.30110E143 C145 E146 I176E143-K178 IonicContact OE2-NZ 3.88Å; E143-K178 PolarHBondContact OE2-NZ 2.81Å; C145-K178 VanDerWaalsContact CA-O 3.3Å; C145-K178 WeakPolarHBondContact CA-O 3.4Å; E146-K178 HydrophobicContact CB-CB 3.7Å; E146-K178 HydrophobicContact CG-CB 3.95Å; E146-K178 HydrophobicContact CG-CD 4.22Å; E146-K178 PolarHBondContact N-O 2.84Å; E146-K178 VanDerWaalsContact N-O 3.08Å; E146-K178 PolarHBondContact O-N 3.14Å; E146-K178 VanDerWaalsContact O-N 3.09Å; E146-K178 IonicContact OE1-NZ 3.85Å; I176-K178 VanDerWaalsContact CG2-O 3.29Å; I176-K178 WeakPolarHBondContact CG2-O 3.41Å
179K70.1Confident78.1Confident168 Ų16881 Ų8173%0.7345%0.448SS*.  trans-79.3151.8172.9-72.7-174-179.6-177.90110.1I176I176-K179 HydrophobicContact CG2-CG 4.31Å
180P74.6Confident77.9Confident19 Ų1982 Ų8212%0.12345%0.453CS..  trans-70.1158179.228-22.8000109.8C145 K182 I185C145-P180 WeakPolarHBondContact SG-CD 3.47Å; C145-P180 VanDerWaalsContact SG-CG 3.57Å; P180-K182 PolarHBondContact O-N 3.46Å; P180-I185 HydrophobicContact CB-CB 3.87Å; P180-I185 HydrophobicContact CB-CD1 4.12Å; P180-I185 HydrophobicContact CB-CG2 4.06Å; P180-I185 HydrophobicContact CG-CB 3.95Å; P180-I185 HydrophobicContact CG-CG2 4.31Å; P180-I185 WeakPolarHBondContact CG-O 3.24Å
181A68.4Low77.8Confident104 Ų10483.5 Ų83.586%0.8647%0.47SS*.SBendtrans-68.5-23-178.400000113.5
182K66.9Low77.9Confident84 Ų8484 Ų8437%0.36547%0.467SS..SBendtrans-118.8133.3173.8-73.9-172.7172.6-175.70109.5L135 E137 P180 T184 I185L135-K182 HydrophobicContact CD1-CD 4.25Å; L135-K182 HydrophobicContact CD2-CD 4.39Å; E137-K182 IonicContact OE2-NZ 3.57Å; E137-K182 PolarHBondContact OE2-NZ 3.01Å; P180-K182 PolarHBondContact O-N 3.46Å; K182-T184 PolarHBondContact O-N 2.94Å; K182-T184 VanDerWaalsContact O-N 3.12Å; K182-I185 HydrophobicContact CB-CD1 4.09Å; K182-I185 HydrophobicContact CB-CG1 4.46Å; K182-I185 PolarHBondContact O-N 3.08Å
183D62.9Low77.9Confident165 Ų16584.8 Ų84.888%0.88248%0.481SS*.THydrogen-bonded Turntrans-65.3-12.9179.4-67.1-43.1000113.8I185D183-I185 VanDerWaalsContact C-N 3.26Å; D183-I185 PolarHBondContact O-N 2.85Å
184T65.8Low77.9Confident113 Ų11386.9 Ų86.969%0.69348%0.482SS*.THydrogen-bonded Turntrans-77-7.3177.950.50000114.1K182 P186K182-T184 PolarHBondContact O-N 2.94Å; K182-T184 VanDerWaalsContact O-N 3.12Å; T184-P186 VanDerWaalsContact O-CD 3.32Å; T184-P186 WeakPolarHBondContact O-CD 3.34Å
185I68.1Low78Confident14 Ų1492.7 Ų92.77%0.07250%0.504CS..SBendtrans-96.1109.5-175.4-61.5164.7000109.5A133 V142 P180 K182 D183A133-I185 HydrophobicContact CB-CG2 3.33Å; V142-I185 HydrophobicContact CG2-CD1 3.46Å; V142-I185 VanDerWaalsContact CG2-CD1 3.46Å; P180-I185 HydrophobicContact CB-CB 3.87Å; P180-I185 HydrophobicContact CB-CD1 4.12Å; P180-I185 HydrophobicContact CB-CG2 4.06Å; P180-I185 HydrophobicContact CG-CB 3.95Å; P180-I185 HydrophobicContact CG-CG2 4.31Å; P180-I185 WeakPolarHBondContact CG-O 3.24Å; K182-I185 HydrophobicContact CB-CD1 4.09Å; K182-I185 HydrophobicContact CB-CG1 4.46Å; K182-I185 PolarHBondContact O-N 3.08Å; D183-I185 VanDerWaalsContact C-N 3.26Å; D183-I185 PolarHBondContact O-N 2.85Å
186P68Low78.3Confident118 Ų11886.8 Ų86.877%0.76648%0.477SS*.PPolyproline II helixtrans-71.7133.8179.728-32.9000111.3T184T184-P186 VanDerWaalsContact O-CD 3.32Å; T184-P186 WeakPolarHBondContact O-CD 3.34Å
187C72.1Confident78.6Confident44 Ų4491.8 Ų91.830%0.29750%0.497SS..PPolyproline II helixtrans-71.7151.4175.8-60.90000112.1C145 I176C145-C187 HydrophobicContact CB-CB 3.6Å; C145-C187 WeakPolarHBondContact CB-SG 3.36Å; C145-C187 WeakPolarHBondContact SG-CA 3.22Å; C145-C187 WeakPolarHBondContact SG-CB 3.39Å; C145-C187 CovalentContact SG-SG 2.02Å; C145-C187 PolarHBondContact SG-SG 3.25Å; I176-C187 HydrophobicContact CD1-CB 3.86Å; I176-C187 HydrophobicContact CG1-CB 4.32Å
188P76.3Confident78.8Confident60 Ų6089 Ų8939%0.3948%0.477SS..PPolyproline II helixtrans-63160.2173.328-34.3000111.4V147 I190V147-P188 HydrophobicContact CG1-CG 3.95Å; V147-P188 HydrophobicContact CG2-CG 4.34Å; P188-I190 PolarHBondContact O-N 3.06Å
189T80.3Confident79.2Confident108 Ų10889 Ų8966%0.66349%0.493SS*.PPolyproline II helixtrans-56.4131.3-176.738.30000112.9R174R174-T189 PolarHBondContact NE-O 3.14Å; R174-T189 PolarHBondContact NH2-O 2.83Å
190I86.6Confident79.8Confident76 Ų7685.8 Ų85.839%0.3948%0.482SS..  trans-101-3.9-177.859.1166.6000114W150 T173 R174 I176 P188W150-I190 WeakPolarHBondContact CZ3-O 3.45Å; T173-I190 CarbonylContact C-O 3.56Å; T173-I190 VanDerWaalsContact CA-O 3.27Å; T173-I190 WeakPolarHBondContact CA-O 3.38Å; R174-I190 HydrophobicContact CG-CB 4.42Å; R174-I190 PolarHBondContact N-O 3.5Å; R174-I190 WeakPolarHBondContact O-CB 3.45Å; I176-I190 HydrophobicContact CD1-CG2 4.15Å; I176-I190 HydrophobicContact CG1-CG2 3.84Å; P188-I190 PolarHBondContact O-N 3.06Å
191A89.8Confident80.1Confident58 Ų5892 Ų9248%0.47950%0.503SS..EExtended strand (participates in β ladder)trans-131.2135.8178.200000110T173T173-A191 HydrophobicContact CG2-CB 4.31Å
192E92.1Very high80.6Confident76 Ų7693.7 Ų93.736%0.35549%0.493SS..EExtended strand (participates in β ladder)trans-132.1139.3177.3-170.9-174173.200109.4W150 W153 T171 R172W150-E192 HydrophobicContact CH2-CB 3.79Å; W150-E192 HydrophobicContact CZ2-CB 4.31Å; W150-E192 HydrophobicContact CZ3-CB 4.03Å; W153-E192 HydrophobicContact CH2-CB 4.41Å; W153-E192 HydrophobicContact CH2-CG 4.05Å; T171-E192 CarbonylContact C-O 3.48Å; T171-E192 VanDerWaalsContact CA-O 3.31Å; T171-E192 WeakPolarHBondContact CA-O 3.29Å; T171-E192 WeakPolarHBondContact CG2-O 3.19Å; R172-E192 HydrophobicContact CG-CB 4.09Å; R172-E192 IonicContact CZ-OE2 2.82Å; R172-E192 PolarHBondContact N-O 2.04Å; R172-E192 IonicContact NE-OE2 3.14Å; R172-E192 PolarHBondContact NE-OE2 2.81Å; R172-E192 IonicContact NH2-OE1 2.66Å; R172-E192 IonicContact NH2-OE2 2.87Å; R172-E192 PolarHBondContact NH2-OE2 2.92Å; R172-E192 PolarHBondContact O-N 3.16Å
193S90.7Very high81.4Confident72 Ų7292.1 Ų92.150%0.50349%0.492SS..EExtended strand (participates in β ladder)trans-125.7137.9178.465.90000111.4E170E170-S193 CarbonylContact O-C 3.56Å; E170-S193 WeakPolarHBondContact O-CA 3.28Å
194R90.8Very high82.1Confident109 Ų10990.3 Ų90.341%0.41149%0.49SS..EExtended strand (participates in β ladder)trans-134.9163.2176.576.8175.9-173.7-165.5-6.4112W153 L169 E170W153-R194 VanDerWaalsContact CD1-CZ 3.48Å; W153-R194 VanDerWaalsContact CD1-NH2 3.25Å; W153-R194 HydrophobicContact CD2-CG 4.33Å; W153-R194 HydrophobicContact CE3-CG 3.96Å; W153-R194 HydrophobicContact CH2-CB 3.96Å; W153-R194 HydrophobicContact CH2-CG 3.63Å; W153-R194 VanDerWaalsContact CZ2-CD 3.47Å; W153-R194 HydrophobicContact CZ2-CG 4.05Å; W153-R194 HydrophobicContact CZ3-CB 4.12Å; W153-R194 HydrophobicContact CZ3-CG 3.59Å; W153-R194 VanDerWaalsContact NE1-CZ 3.27Å; W153-R194 VanDerWaalsContact NE1-NH1 3.11Å; L169-R194 WeakPolarHBondContact CA-O 3.42Å; L169-R194 WeakPolarHBondContact CD1-O 3.44Å; E170-R194 VanDerWaalsContact CD-NH2 3.33Å; E170-R194 HydrophobicContact CG-CG 3.45Å; E170-R194 VanDerWaalsContact CG-CG 3.45Å; E170-R194 PolarHBondContact N-O 2.95Å; E170-R194 PolarHBondContact O-N 3.12Å; E170-R194 WeakPolarHBondContact OE1-CG 3.5Å; E170-R194 IonicContact OE1-CZ 3.91Å; E170-R194 IonicContact OE1-NE 2.98Å; E170-R194 PolarHBondContact OE1-NE 2.68Å; E170-R194 IonicContact OE1-NH2 3.72Å; E170-R194 PolarHBondContact OE1-NH2 3.2Å; E170-R194 IonicContact OE2-CZ 3.33Å; E170-R194 IonicContact OE2-NE 2.66Å; E170-R194 IonicContact OE2-NH2 3.18Å; E170-R194 PolarHBondContact OE2-NH2 3.01Å
195R90.6Very high82.4Confident168 Ų16888.9 Ų88.963%0.63450%0.497SS*.EExtended strand (participates in β ladder)trans-84.3127.5177.6-71.5-175.5179.1170.94.9111.2G168G168-R195 WeakPolarHBondContact O-CA 3.41Å
196C90Very high82.1Confident11 Ų1191 Ų917%0.07452%0.523CS..EExtended strand (participates in β ladder)trans-108.9146174.5420000111.1C156 W167 G168 L169 E170C156-C196 WeakPolarHBondContact CA-SG 3.35Å; C156-C196 HydrophobicContact CB-CB 3.73Å; C156-C196 WeakPolarHBondContact CB-SG 3.49Å; C156-C196 WeakPolarHBondContact SG-CB 3.47Å; C156-C196 CovalentContact SG-SG 1.99Å; C156-C196 PolarHBondContact SG-SG 3.01Å; W167-C196 CarbonylContact C-O 3.45Å; W167-C196 VanDerWaalsContact CA-O 3.26Å; W167-C196 WeakPolarHBondContact CA-O 2.95Å; G168-C196 PolarHBondContact N-O 2.9Å; G168-C196 PolarHBondContact O-N 2.05Å; G168-C196 VanDerWaalsContact O-N 3.12Å; G168-C196 PolarHBondContact O-SG 2.89Å; L169-C196 VanDerWaalsContact C-SG 3.56Å; E170-C196 HydrophobicContact CB-CB 4.41Å; E170-C196 HydrophobicContact CG-CB 4.13Å; E170-C196 WeakPolarHBondContact OE1-CB 3.02Å
197K89.3Confident81.9Confident171 Ų17194.9 Ų94.974%0.74353%0.528SS*.EExtended strand (participates in β ladder)trans-77.4137.6173.1-73.5177.2-176.1166.70109.3W167W167-K197 HydrophobicContact CE3-CB 4.43Å; W167-K197 HydrophobicContact CE3-CG 3.68Å; W167-K197 HydrophobicContact CH2-CD 4.02Å; W167-K197 HydrophobicContact CH2-CG 3.5Å; W167-K197 VanDerWaalsContact CH2-CG 3.5Å; W167-K197 HydrophobicContact CZ2-CG 4.32Å; W167-K197 HydrophobicContact CZ3-CB 4.28Å; W167-K197 HydrophobicContact CZ3-CD 4.07Å; W167-K197 HydrophobicContact CZ3-CG 3.13Å
198M86.6Confident81.3Confident45 Ų45104.6 Ų104.622%0.22256%0.558CS.*  trans-125159176.6-60.5-171.888.600111.4C156 R158 F165 K166 M200C156-M198 HydrophobicContact CB-CE 4.25Å; C156-M198 HydrophobicContact CB-CG 4.34Å; C156-M198 WeakPolarHBondContact O-CE 3.43Å; C156-M198 WeakPolarHBondContact SG-CG 3.48Å; R158-M198 HydrophobicContact CB-CE 4.34Å; R158-M198 HydrophobicContact CB-SD 4.3Å; F165-M198 HydrophobicContact CD2-CB 4.19Å; F165-M198 HydrophobicContact CD2-SD 4.08Å; F165-M198 HydrophobicContact CE2-CB 4.3Å; F165-M198 HydrophobicContact CE2-CE 4.45Å; F165-M198 HydrophobicContact CE2-SD 4.23Å; K166-M198 PolarHBondContact O-N 2.9Å; M198-M200 PolarHBondContact O-N 3.34Å
199A84.3Confident80.6Confident85 Ų85105.7 Ų105.770%0.70256%0.564SS**  trans-58.6123.116800000109.6R201A199-R201 PolarHBondContact O-N 3.05Å; A199-R201 VanDerWaalsContact O-N 3.16Å
200M81.1Confident80Confident102 Ų102104.9 Ų104.950%0.50256%0.56SS.*  trans-70.6111.9-175.4-175.1172.5-178.500110.2F165 M198 H202F165-M200 WeakPolarHBondContact O-CA 3.38Å; M198-M200 PolarHBondContact O-N 3.34Å; M200-H202 WeakPolarHBondContact CE-NE2 3.06Å
201R81.5Confident78.9Confident148 Ų148109.8 Ų109.856%0.55858%0.579SS**PPolyproline II helixtrans-92.7120.4170.5-70.4-159.7175.4-160.1-3.2109.9G164 F165 A199G164-R201 WeakPolarHBondContact CA-O 3.42Å; G164-R201 PolarHBondContact N-O 3.5Å; F165-R201 HydrophobicContact CE1-CB 3.99Å; F165-R201 HydrophobicContact CE1-CG 4.29Å; F165-R201 HydrophobicContact CE2-CB 4.48Å; F165-R201 HydrophobicContact CE2-CG 4.31Å; F165-R201 HydrophobicContact CZ-CB 3.91Å; F165-R201 HydrophobicContact CZ-CG 3.75Å; A199-R201 PolarHBondContact O-N 3.05Å; A199-R201 VanDerWaalsContact O-N 3.16Å
202H79.8Confident77.8Confident140 Ų140110.7 Ų110.765%0.64859%0.586SS**PPolyproline II helixtrans-81.6143173.7-65.178.5000109.3M200M200-H202 WeakPolarHBondContact CE-NE2 3.06Å
203C81.9Confident76.5Confident52 Ų52113.3 Ų113.335%0.35160%0.596SS.*PPolyproline II helixtrans-76.5136.8174.5-64.80000110C163 G164 G205 G206C163-C203 HydrophobicContact CB-CB 3.85Å; C163-C203 WeakPolarHBondContact CB-SG 2.97Å; C163-C203 WeakPolarHBondContact SG-CA 3.49Å; C163-C203 WeakPolarHBondContact SG-CB 3.08Å; C163-C203 CovalentContact SG-SG 2.04Å; C163-C203 PolarHBondContact SG-SG 3.13Å; G164-C203 PolarHBondContact N-SG 3.32Å; G164-C203 VanDerWaalsContact N-SG 3.42Å; C203-G205 PolarHBondContact O-N 3.25Å; C203-G206 PolarHBondContact O-N 2.91Å
204P79.3Confident75.5Confident127 Ų127115.1 Ų115.183%0.82560%0.597SS**THydrogen-bonded Turntrans-56.2128.7169.2-19.231.2000109.4
205G72.1Confident74.7Confident83 Ų83117.7 Ų117.786%0.85661%0.611SS**THydrogen-bonded Turntrans85.45.9179.900000116.5C203 K207C203-G205 PolarHBondContact O-N 3.25Å; G205-K207 PolarHBondContact O-N 3.27Å; G205-K207 VanDerWaalsContact O-N 3.09Å
206G61.8Low73.9Confident59 Ų59119.1 Ų119.161%0.60862%0.616SS**  trans-70.6101.4178.200000113.3C203 R208C203-G206 PolarHBondContact O-N 2.91Å; G206-R208 PolarHBondContact O-N 3.31Å
207K62.6Low73.2Confident199 Ų199123.1 Ų123.187%0.86564%0.637SS**  trans-59.4124.6168.6-66.6-174.9-178.2-1790109.4G205 T209G205-K207 PolarHBondContact O-N 3.27Å; G205-K207 VanDerWaalsContact O-N 3.09Å; K207-T209 PolarHBondContact O-N 2.81Å
208R59.1Low72.8Confident248 Ų248122.5 Ų122.594%0.93663%0.634SS**  trans-58.9106.9175.5-76.1-177.7172.3174.3-0.8109.1G206G206-R208 PolarHBondContact O-N 3.31Å
209T61.8Low72.6Confident83 Ų83127.3 Ų127.351%0.50965%0.654SS.*  trans-66.7140.9171.350.50000109.6K207 K211K207-T209 PolarHBondContact O-N 2.81Å; T209-K211 PolarHBondContact O-N 3.47Å
210P69.2Low72.6Confident91 Ų91130.7 Ų130.759%0.59165%0.653SS**  trans-53.7134.1179.3-24.531.7000111.5A212 K213 E214P210-A212 PolarHBondContact O-N 2.03Å; P210-K213 WeakPolarHBondContact O-CB 2.96Å; P210-K213 PolarHBondContact O-N 2.76Å; P210-E214 PolarHBondContact O-N 3.28Å
211K62.1Low72.7Confident179 Ų179132.2 Ų132.278%0.77866%0.656SS**Hα-helixtrans-50.1-29.8-176.9-77-175.5176174.60113.6T209 K215T209-K211 PolarHBondContact O-N 3.47Å; K211-K215 WeakPolarHBondContact O-CG 3.32Å; K211-K215 PolarHBondContact O-N 2.87Å; K211-K215 VanDerWaalsContact O-N 3.1Å
212A66.3Low72.9Confident76 Ų76133.2 Ų133.263%0.62866%0.66SS**Hα-helixtrans-67.4-42175.300000113.1P210 K215 R216P210-A212 PolarHBondContact O-N 2.03Å; A212-K215 PolarHBondContact O-N 3.01Å; A212-R216 PolarHBondContact O-N 2.84Å; A212-R216 VanDerWaalsContact O-N 3.1Å
213K66Low73.2Confident131 Ų131132.6 Ų132.657%0.5766%0.656SS**Hα-helixtrans-69.5-37.2179.3-159.1172.7-175.3175.30110.9P210 R216 N217P210-K213 WeakPolarHBondContact O-CB 2.96Å; P210-K213 PolarHBondContact O-N 2.76Å; K213-R216 PolarHBondContact O-N 3.3Å; K213-N217 WeakPolarHBondContact O-CB 3.36Å; K213-N217 PolarHBondContact O-N 3.17Å
214E70.5Confident73.4Confident111 Ų111136.1 Ų136.152%0.51967%0.67SS.*Hα-helixtrans-66.4-45.2175-166-176168.900112.3P210 R216 N217 K218P210-E214 PolarHBondContact O-N 3.28Å; E214-R216 VanDerWaalsContact C-N 3.33Å; E214-R216 PolarHBondContact O-N 3.21Å; E214-N217 PolarHBondContact O-N 3.48Å; E214-K218 WeakPolarHBondContact O-CB 3.27Å; E214-K218 PolarHBondContact O-N 2.83Å
215K72.1Confident73.4Confident163 Ų163132.8 Ų132.871%0.70965%0.645SS**Hα-helixtrans-58.9-42.6174.2-80.8-175.2177.8-178.10111.9K211 A212 K218 K219K211-K215 WeakPolarHBondContact O-CG 3.32Å; K211-K215 PolarHBondContact O-N 2.87Å; K211-K215 VanDerWaalsContact O-N 3.1Å; A212-K215 PolarHBondContact O-N 3.01Å; K215-K218 PolarHBondContact O-N 2.93Å; K215-K219 PolarHBondContact O-N 3.49Å
216R75.3Confident74Confident197 Ų197132.6 Ų132.674%0.74362%0.622SS**Hα-helixtrans-63.7-45.3177.9-161.8172.8101.51746.8111.7A212 K213 E214 K219 K220A212-R216 PolarHBondContact O-N 2.84Å; A212-R216 VanDerWaalsContact O-N 3.1Å; K213-R216 PolarHBondContact O-N 3.3Å; E214-R216 VanDerWaalsContact C-N 3.33Å; E214-R216 PolarHBondContact O-N 3.21Å; R216-K219 PolarHBondContact O-N 2.83Å; R216-K220 WeakPolarHBondContact O-CB 3.48Å; R216-K220 PolarHBondContact O-N 2.85Å
217N74.9Confident74.9Confident95 Ų95138.1 Ų138.151%0.50862%0.624SS.*Hα-helixtrans-65.3-39.3177-77.9-5.3000112.4K213 E214 K220 K221K213-N217 WeakPolarHBondContact O-CB 3.36Å; K213-N217 PolarHBondContact O-N 3.17Å; E214-N217 PolarHBondContact O-N 3.48Å; N217-K220 PolarHBondContact O-N 3.34Å; N217-K221 WeakPolarHBondContact O-CB 3.43Å; N217-K221 PolarHBondContact O-N 3.49Å
218K80.4Confident75.6Confident158 Ų158131.1 Ų131.169%0.68760%0.604SS**Hα-helixtrans-64.9-41.7175.9-168.2177.5-178.7-177.40112.1E214 K215 K221 R222E214-K218 WeakPolarHBondContact O-CB 3.27Å; E214-K218 PolarHBondContact O-N 2.83Å; K215-K218 PolarHBondContact O-N 2.93Å; K218-K221 PolarHBondContact O-N 3.43Å; K218-R222 WeakPolarHBondContact O-CB 3.33Å; K218-R222 PolarHBondContact O-N 2.82Å
219K82.6Confident76.4Confident146 Ų146125.5 Ų125.564%0.63559%0.588SS**Hα-helixtrans-63.8-42.6174.5-169.4174.3-176.8176.70111.4K215 R216 R222 K223K215-K219 PolarHBondContact O-N 3.49Å; R216-K219 PolarHBondContact O-N 2.83Å; K219-R222 PolarHBondContact O-N 2.82Å; K219-K223 PolarHBondContact O-N 2.91Å; K219-K223 VanDerWaalsContact O-N 3.09Å
220K84.1Confident77.2Confident156 Ų156127.4 Ų127.468%0.67859%0.591SS**Hα-helixtrans-64.8-43177.5-155.2178-175.1-174.80111.8R216 N217 K223 L224R216-K220 WeakPolarHBondContact O-CB 3.48Å; R216-K220 PolarHBondContact O-N 2.85Å; N217-K220 PolarHBondContact O-N 3.34Å; K220-K223 PolarHBondContact O-N 2.79Å; K220-L224 PolarHBondContact O-N 2.94Å
221K84.4Confident77.6Confident134 Ų134129.7 Ų129.758%0.58359%0.594SS**Hα-helixtrans-65-39.6176.5-172.8173.9-178.9176.10112.6N217 K218 L224 I225N217-K221 WeakPolarHBondContact O-CB 3.43Å; N217-K221 PolarHBondContact O-N 3.49Å; K218-K221 PolarHBondContact O-N 3.43Å; K221-L224 PolarHBondContact O-N 3.5Å; K221-I225 HydrophobicContact CG-CD1 4.21Å; K221-I225 WeakPolarHBondContact O-CG1 3.4Å; K221-I225 PolarHBondContact O-N 2.95Å; K221-I225 VanDerWaalsContact O-N 3.09Å
222R84.9Confident78.1Confident169 Ų169126.7 Ų126.764%0.63858%0.582SS**Hα-helixtrans-64.1-45.8176.2-173.4178.3136.1-169.5-6.1111.7K218 K219 L224 I225 E226K218-R222 WeakPolarHBondContact O-CB 3.33Å; K218-R222 PolarHBondContact O-N 2.82Å; K219-R222 PolarHBondContact O-N 2.82Å; R222-L224 VanDerWaalsContact C-N 3.25Å; R222-L224 PolarHBondContact O-N 3.02Å; R222-I225 PolarHBondContact O-N 2.89Å; R222-I225 VanDerWaalsContact O-N 3.17Å; R222-E226 IonicContact CZ-OE1 3.69Å; R222-E226 IonicContact NE-OE1 3.07Å; R222-E226 PolarHBondContact NE-OE1 3.44Å; R222-E226 VanDerWaalsContact NE-OE1 3.07Å; R222-E226 IonicContact NH2-OE1 3.37Å; R222-E226 PolarHBondContact NH2-OE1 3.34Å; R222-E226 PolarHBondContact O-N 2.04Å
223K85.3Confident78.3Confident128 Ų128126.2 Ų126.256%0.55758%0.575SS**Hα-helixtrans-59.8-34.6174-78.3-168.4172-162.80113.2K219 K220 R227K219-K223 PolarHBondContact O-N 2.91Å; K219-K223 VanDerWaalsContact O-N 3.09Å; K220-K223 PolarHBondContact O-N 2.79Å; K223-R227 PolarHBondContact O-N 2.79Å
224L85.9Confident78.6Confident125 Ų125124.2 Ų124.265%0.65457%0.573SS**Hα-helixtrans-68.7-39.3177.3-145.693.3000111.8K220 K221 R222 A228K220-L224 PolarHBondContact O-N 2.94Å; K221-L224 PolarHBondContact O-N 3.5Å; R222-L224 VanDerWaalsContact C-N 3.25Å; R222-L224 PolarHBondContact O-N 3.02Å; L224-A228 WeakPolarHBondContact O-CB 3Å; L224-A228 PolarHBondContact O-N 3.18Å
225I80.8Confident78.7Confident58 Ų58124.6 Ų124.630%0.29757%0.573SS.*Hα-helixtrans-69.6-43.1176.8-66166.5000110.6K221 R222 R227 A228 Q229K221-I225 HydrophobicContact CG-CD1 4.21Å; K221-I225 WeakPolarHBondContact O-CG1 3.4Å; K221-I225 PolarHBondContact O-N 2.95Å; K221-I225 VanDerWaalsContact O-N 3.09Å; R222-I225 PolarHBondContact O-N 2.89Å; R222-I225 VanDerWaalsContact O-N 3.17Å; I225-R227 PolarHBondContact O-N 3.47Å; I225-A228 PolarHBondContact O-N 3.27Å; I225-Q229 WeakPolarHBondContact O-CG 3.36Å; I225-Q229 PolarHBondContact O-N 2.82Å
226E83.2Confident78.2Confident78 Ų78120.9 Ų120.936%0.36456%0.561SS.*Hα-helixtrans-57.5-47.3174.1-83.6162.9-175.700110.7R222 A228 Q229 E230R222-E226 IonicContact CZ-OE1 3.69Å; R222-E226 IonicContact NE-OE1 3.07Å; R222-E226 PolarHBondContact NE-OE1 3.44Å; R222-E226 VanDerWaalsContact NE-OE1 3.07Å; R222-E226 IonicContact NH2-OE1 3.37Å; R222-E226 PolarHBondContact NH2-OE1 3.34Å; R222-E226 PolarHBondContact O-N 2.04Å; E226-A228 PolarHBondContact O-N 2.02Å; E226-Q229 PolarHBondContact O-N 2.02Å; E226-E230 PolarHBondContact O-N 3.08Å
227R82.4Confident77.3Confident176 Ų176114.4 Ų114.466%0.66455%0.549SS*.Hα-helixtrans-62-39.9175.4-83.7-175.4176.6-176.9-3.6113.8K223 I225 Q229 E230 Q231K223-R227 PolarHBondContact O-N 2.79Å; I225-R227 PolarHBondContact O-N 3.47Å; R227-Q229 VanDerWaalsContact C-N 3.34Å; R227-E230 PolarHBondContact O-N 2.8Å; R227-Q231 WeakPolarHBondContact O-CB 3.06Å; R227-Q231 VanDerWaalsContact O-CG 3.28Å; R227-Q231 WeakPolarHBondContact O-CG 3.47Å; R227-Q231 PolarHBondContact O-N 2.86Å
228A75.9Confident76.6Confident52 Ų52113 Ų11343%0.4354%0.544SS..Hα-helixtrans-68-35.8177.900000111.8L224 I225 E226 H232L224-A228 WeakPolarHBondContact O-CB 3Å; L224-A228 PolarHBondContact O-N 3.18Å; I225-A228 PolarHBondContact O-N 3.27Å; E226-A228 PolarHBondContact O-N 2.02Å; A228-H232 WeakPolarHBondContact O-CB 3.29Å; A228-H232 PolarHBondContact O-N 3.38Å
229Q77.4Confident75.1Confident130 Ų130109.1 Ų109.161%0.60753%0.531SS*.Hα-helixtrans-68.3-41.8173.2-76-178.5-63.400111.8I225 E226 R227 H232 S233I225-Q229 WeakPolarHBondContact O-CG 3.36Å; I225-Q229 PolarHBondContact O-N 2.82Å; E226-Q229 PolarHBondContact O-N 2.02Å; R227-Q229 VanDerWaalsContact C-N 3.34Å; Q229-H232 PolarHBondContact O-N 3.08Å; Q229-S233 PolarHBondContact O-N 3.22Å; Q229-S233 PolarHBondContact O-OG 2.81Å
230E77.4Confident73.5Confident122 Ų122112.5 Ų112.557%0.5754%0.539SS*.Hα-helixtrans-60-48.3173.1-81173.6167.900111.1E226 R227 H232 S233 V234E226-E230 PolarHBondContact O-N 3.08Å; R227-E230 PolarHBondContact O-N 2.8Å; E230-H232 VanDerWaalsContact C-N 3.31Å; E230-H232 PolarHBondContact O-N 3.36Å; E230-S233 VanDerWaalsContact CA-OG 3.31Å; E230-S233 WeakPolarHBondContact CA-OG 3.46Å; E230-S233 PolarHBondContact O-N 3.27Å; E230-S233 VanDerWaalsContact O-N 3.15Å; E230-S233 PolarHBondContact O-OG 3.44Å; E230-V234 VanDerWaalsContact O-CG2 3.31Å; E230-V234 WeakPolarHBondContact O-CG2 3.28Å; E230-V234 PolarHBondContact O-N 3.49Å
231Q77.3Confident71.5Confident140 Ų140108.7 Ų108.765%0.65454%0.537SS*.Hα-helixtrans-60.2-40.1176.8-75.2177-31.300112.5R227 V234 F235R227-Q231 WeakPolarHBondContact O-CB 3.06Å; R227-Q231 VanDerWaalsContact O-CG 3.28Å; R227-Q231 WeakPolarHBondContact O-CG 3.47Å; R227-Q231 PolarHBondContact O-N 2.86Å; Q231-V234 PolarHBondContact O-N 2.83Å; Q231-F235 WeakPolarHBondContact O-CB 3.42Å; Q231-F235 PolarHBondContact O-N 2.99Å
232H74Confident69.6Low116 Ų116109 Ų10954%0.53755%0.545SS..Hα-helixtrans-66.9-40.1175.2-173.8-115.1000111.9A228 Q229 E230 F235 L236A228-H232 WeakPolarHBondContact O-CB 3.29Å; A228-H232 PolarHBondContact O-N 3.38Å; Q229-H232 PolarHBondContact O-N 3.08Å; E230-H232 VanDerWaalsContact C-N 3.31Å; E230-H232 PolarHBondContact O-N 3.36Å; H232-F235 PolarHBondContact O-N 2.76Å; H232-L236 WeakPolarHBondContact O-CB 3.43Å; H232-L236 VanDerWaalsContact O-CG 3.3Å; H232-L236 WeakPolarHBondContact O-CG 3.41Å; H232-L236 PolarHBondContact O-N 2.03Å
233S68.9Low67.4Low66 Ų66111.5 Ų111.546%0.46256%0.564SS.*Hα-helixtrans-65.8-36.8174.759.90000112.9Q229 E230 A237Q229-S233 PolarHBondContact O-N 3.22Å; Q229-S233 PolarHBondContact O-OG 2.81Å; E230-S233 VanDerWaalsContact CA-OG 3.31Å; E230-S233 WeakPolarHBondContact CA-OG 3.46Å; E230-S233 PolarHBondContact O-N 3.27Å; E230-S233 VanDerWaalsContact O-N 3.15Å; E230-S233 PolarHBondContact O-OG 3.44Å; S233-A237 WeakPolarHBondContact O-CB 2.97Å; S233-A237 PolarHBondContact O-N 2.77Å
234V73.3Confident66.5Low89 Ų89110.7 Ų110.754%0.53957%0.565SS.*Hα-helixtrans-68-42.8174.8172.70000110.5E230 Q231 L236 A237 T238E230-V234 VanDerWaalsContact O-CG2 3.31Å; E230-V234 WeakPolarHBondContact O-CG2 3.28Å; E230-V234 PolarHBondContact O-N 3.49Å; Q231-V234 PolarHBondContact O-N 2.83Å; V234-L236 PolarHBondContact O-N 2.89Å; V234-A237 CarbonylContact O-C 3.59Å; V234-A237 WeakPolarHBondContact O-CB 3.25Å; V234-A237 PolarHBondContact O-N 2.94Å; V234-A237 VanDerWaalsContact O-N 3.14Å; V234-T238 HydrophobicContact CG1-CG2 4.48Å; V234-T238 PolarHBondContact O-N 2.8Å; V234-T238 PolarHBondContact O-OG1 3.01Å; V234-T238 VanDerWaalsContact O-OG1 3.05Å
235F71.3Confident65.5Low119 Ų119109.9 Ų109.952%0.52256%0.56SS.*Hα-helixtrans-59-47.9175.4-179.8-98.2000112Q231 H232 A237 T238 D239Q231-F235 WeakPolarHBondContact O-CB 3.42Å; Q231-F235 PolarHBondContact O-N 2.99Å; H232-F235 PolarHBondContact O-N 2.76Å; F235-A237 VanDerWaalsContact C-N 3.26Å; F235-A237 PolarHBondContact O-N 3.45Å; F235-T238 WeakPolarHBondContact CA-OG1 3.47Å; F235-T238 PolarHBondContact O-N 3.1Å; F235-T238 PolarHBondContact O-OG1 2.76Å; F235-D239 WeakPolarHBondContact CE1-OD2 3.39Å; F235-D239 PolarHBondContact O-N 2.84Å
236L63.1Low64.6Low85 Ų85112.8 Ų112.845%0.44557%0.574SS.*Hα-helixtrans-63.6-30.4175.3-69.7173.6000113H232 V234 R240H232-L236 WeakPolarHBondContact O-CB 3.43Å; H232-L236 VanDerWaalsContact O-CG 3.3Å; H232-L236 WeakPolarHBondContact O-CG 3.41Å; H232-L236 PolarHBondContact O-N 2.03Å; V234-L236 PolarHBondContact O-N 2.89Å; L236-R240 PolarHBondContact O-N 3.02Å
237A56.8Low63.5Low60 Ų60114.9 Ų114.950%0.49659%0.587SS.*Hα-helixtrans-75.4-34.4174.600000112.5S233 V234 F235 A241S233-A237 WeakPolarHBondContact O-CB 2.97Å; S233-A237 PolarHBondContact O-N 2.77Å; V234-A237 CarbonylContact O-C 3.59Å; V234-A237 WeakPolarHBondContact O-CB 3.25Å; V234-A237 PolarHBondContact O-N 2.94Å; V234-A237 VanDerWaalsContact O-N 3.14Å; F235-A237 VanDerWaalsContact C-N 3.26Å; F235-A237 PolarHBondContact O-N 3.45Å; A237-A241 PolarHBondContact O-N 3.41Å
238T58.4Low62.4Low66 Ų66111.1 Ų111.141%0.40558%0.582SS.*Hα-helixtrans-76.7-33.3176.247.30000113.2V234 F235 R240 A241 N242V234-T238 HydrophobicContact CG1-CG2 4.48Å; V234-T238 PolarHBondContact O-N 2.8Å; V234-T238 PolarHBondContact O-OG1 3.01Å; V234-T238 VanDerWaalsContact O-OG1 3.05Å; F235-T238 WeakPolarHBondContact CA-OG1 3.47Å; F235-T238 PolarHBondContact O-N 3.1Å; F235-T238 PolarHBondContact O-OG1 2.76Å; T238-R240 VanDerWaalsContact C-N 3.27Å; T238-R240 PolarHBondContact O-N 3.19Å; T238-A241 PolarHBondContact O-N 2.96Å; T238-A241 VanDerWaalsContact O-N 3.11Å; T238-N242 PolarHBondContact O-N 3.13Å; T238-N242 PolarHBondContact O-ND2 3.31Å
239D49Very low61.5Low76 Ų76115 Ų11541%0.40659%0.592SS.*Hα-helixtrans-66.2-33173-112.3-9.9000111.4F235 A241F235-D239 WeakPolarHBondContact CE1-OD2 3.39Å; F235-D239 PolarHBondContact O-N 2.84Å; D239-A241 VanDerWaalsContact C-N 3.27Å; D239-A241 PolarHBondContact O-N 3.12Å
240R49Very low60.3Low217 Ų217113.9 Ų113.982%0.81959%0.591SS**THydrogen-bonded Turntrans-71-15.3171.1-85.9-179.3172.4168.6-4.7114.8L236 T238L236-R240 PolarHBondContact O-N 3.02Å; T238-R240 VanDerWaalsContact C-N 3.27Å; T238-R240 PolarHBondContact O-N 3.19Å
241A43.5Very low59Low76 Ų76113.3 Ų113.363%0.62859%0.593SS**THydrogen-bonded Turntrans-98.7-10.2179.400000113A237 T238 D239A237-A241 PolarHBondContact O-N 3.41Å; T238-A241 PolarHBondContact O-N 2.96Å; T238-A241 VanDerWaalsContact O-N 3.11Å; D239-A241 VanDerWaalsContact C-N 3.27Å; D239-A241 PolarHBondContact O-N 3.12Å
242N43Very low57.5Low140 Ų140111.1 Ų111.175%0.74959%0.587SS**  trans-112.66.2-177.4-73.9-30.8000113.6T238T238-N242 PolarHBondContact O-N 3.13Å; T238-N242 PolarHBondContact O-ND2 3.31Å
243Q39.3Very low56Low223 Ų223110.6 Ų110.6100%1.04259%0.592SS**  trans-112.70166-77.5178.68.500108.9

Retrieved 243 of 243 residues in 367.4 ms (Link to these results)