A0A087XPJ4_POEFO Loading...

ELAV-like protein

AlphaFold DB , UniProt , Accession A0A087XPJ4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 369 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M42.6Very low37.2Very low215 Ų215135.4 Ų135.4100%1.05983%0.829SS**  080.20-55.7178.1-167.500107.6
2E34.9Very low37.1Very low173 Ų173135.4 Ų135.481%0.80883%0.829SS**  cis58.813431.5-58.7157.894.600111.6
3T36.6Very low36.7Very low113 Ų113134.5 Ų134.569%0.69383%0.831SS**  cis-157.8173.9-3.211.50000108.3
4Q37.4Very low37Very low172 Ų172136.8 Ų136.880%0.80483%0.834SS**  cis-147.8-172.28.7-148.1135.5-25.900112
5V40.9Very low37.6Very low129 Ų129134.6 Ų134.678%0.78282%0.824SS**  trans-107.2151.2171.11750000109.8
6S37.3Very low37.3Very low125 Ų125136.3 Ų136.387%0.87483%0.826SS**  trans-152.9154154.3-166.70000111.2
7N33Very low36.8Very low156 Ų156132.6 Ų132.683%0.83482%0.822SS**  trans-153.4137.7-161.9-1547.2000114.2
8G31.6Very low36.9Very low67 Ų67131.8 Ų131.869%0.69182%0.82SS**  trans77-178.6165.100000118
9P48.3Very low37Very low135 Ų135131.5 Ų131.588%0.87782%0.817SS**  cis-120.8-178.82.141.7-28.9000115.1
10S36.4Very low37Very low124 Ų124132.6 Ų132.687%0.86782%0.815SS**  trans-81.6158.4-176.1-44.80000115
11G30.1Very low37.4Very low80 Ų80131 Ų13183%0.82581%0.809SS**  trans-159.2112.1169.600000113.1
12T36Very low36.9Very low136 Ų136125.7 Ų125.783%0.83479%0.789SS**  trans-88.2139.8-171.747.50000114.9
13S32.3Very low36.8Very low123 Ų123124 Ų12486%0.8679%0.786SS**  trans-169.3137.7136.143.10000114.8
14L40Very low37.1Very low167 Ų167122.7 Ų122.787%0.87479%0.794SS**  trans-113.5169.5155.8-78.3167.6000106.1
15P47Very low37.2Very low104 Ų104119.4 Ų119.468%0.67579%0.79SS**  cis-143.5-169.720.943.7-23.9000116.5
16N31.8Very low37.3Very low161 Ų161118.2 Ų118.286%0.86178%0.784SS**  trans57.9101.4151.5-71.83.8000121.3
17G29.7Very low37.9Very low74 Ų74116.5 Ų116.576%0.76377%0.765SS**  120.3165.2115.900000117.9
18P37.7Very low38.9Very low119 Ų119114.5 Ų114.577%0.77375%0.754SS**  cis-95.6153.7-13.836.4-30.2000112.1I20P18-I20 PolarHBondContact O-N 3.48Å
19V40.1Very low40.2Very low126 Ų126113.5 Ų113.576%0.76474%0.737SS**  trans-66.2130.3159.7-76.80000108.9S21V19-S21 PolarHBondContact O-N 2.66Å
20I37Very low41.4Very low152 Ų152111.8 Ų111.878%0.77972%0.715SS**  trans-80.166.2175.7-55.6-175.8000108.9P18 T22P18-I20 PolarHBondContact O-N 3.48Å; I20-T22 VanDerWaalsContact CG2-OG1 3.24Å; I20-T22 WeakPolarHBondContact CG2-OG1 3.33Å; I20-T22 PolarHBondContact O-N 2.87Å
21S44.9Very low43.8Very low100 Ų100106.7 Ų106.770%0.69968%0.679SS**  trans-76.271.3165.1-62.80000109V19 N23V19-S21 PolarHBondContact O-N 2.66Å; S21-N23 PolarHBondContact O-N 3.01Å
22T31.1Very low46.7Very low104 Ų104105.3 Ų105.364%0.63865%0.653SS**  trans-95.490.1178.6-560000110.9I20I20-T22 VanDerWaalsContact CG2-OG1 3.24Å; I20-T22 WeakPolarHBondContact CG2-OG1 3.33Å; I20-T22 PolarHBondContact O-N 2.87Å
23N34Very low49.3Very low137 Ų13798.9 Ų98.973%0.73361%0.613SS**  trans47.5108.4146.3-55.6-26.1000117.8S21 S25S21-N23 PolarHBondContact O-N 3.01Å; N23-S25 PolarHBondContact O-N 3.27Å
24G42.9Very low52Low85 Ų8594.7 Ų94.788%0.87658%0.581SS**  trans-57.4120.6171.800000112.6
25S39.2Very low54.5Low103 Ų10386.8 Ų86.872%0.7254%0.539SS*.  trans-158.2100.1169.5-770000109.9N23N23-S25 PolarHBondContact O-N 3.27Å
26T43.6Very low56.5Low104 Ų10484.2 Ų84.264%0.63852%0.52SS*.  trans56.675.1166.558.50000117.7D28T26-D28 VanDerWaalsContact C-N 3.26Å; T26-D28 WeakPolarHBondContact CA-OD2 3.41Å
27D48.5Very low59.1Low90 Ų9083 Ų8348%0.48150%0.504SS..THydrogen-bonded Turntrans-80.8-8.1163.7-141-118.2000112.9S29 K30D27-S29 PolarHBondContact O-N 2.78Å; D27-K30 PolarHBondContact O-N 2.78Å; D27-K30 WeakPolarHBondContact OD1-CD 3.24Å; D27-K30 IonicContact OD1-NZ 2.93Å; D27-K30 PolarHBondContact OD1-NZ 2.83Å; D27-K30 VanDerWaalsContact OD2-CE 3.27Å; D27-K30 WeakPolarHBondContact OD2-CE 3.22Å; D27-K30 IonicContact OD2-NZ 2.62Å; D27-K30 PolarHBondContact OD2-NZ 3.32Å
28D53.7Low61.9Low114 Ų11479.4 Ų79.461%0.6147%0.468SS*.Hα-helixtrans-51.9-12.3172.7-45.4-110.5000114.3T26 K30 T31T26-D28 VanDerWaalsContact C-N 3.26Å; T26-D28 WeakPolarHBondContact CA-OD2 3.41Å; D28-K30 VanDerWaalsContact C-N 3.3Å; D28-T31 PolarHBondContact O-OG1 3.18Å
29S60.2Low64.2Low46 Ų4674 Ų7432%0.32243%0.433SS..Hα-helixtrans-79-8.2174.9-57.30000113.8D27D27-S29 PolarHBondContact O-N 2.78Å
30K73.8Confident66.2Low98 Ų9873.8 Ų73.843%0.42642%0.423SS..Hα-helixtrans-102.5-37.7177.1-61.7-176.2-161.9140.10113.5D27 D28 N32 P82 A85 Y106D27-K30 PolarHBondContact O-N 2.78Å; D27-K30 WeakPolarHBondContact OD1-CD 3.24Å; D27-K30 IonicContact OD1-NZ 2.93Å; D27-K30 PolarHBondContact OD1-NZ 2.83Å; D27-K30 VanDerWaalsContact OD2-CE 3.27Å; D27-K30 WeakPolarHBondContact OD2-CE 3.22Å; D27-K30 IonicContact OD2-NZ 2.62Å; D27-K30 PolarHBondContact OD2-NZ 3.32Å; D28-K30 VanDerWaalsContact C-N 3.3Å; K30-N32 VanDerWaalsContact C-N 3.28Å; K30-N32 PolarHBondContact O-N 3.23Å; K30-P82 HydrophobicContact CB-CB 3.91Å; K30-A85 WeakPolarHBondContact O-CB 3.29Å; K30-Y106 HydrophobicContact CB-CE1 4.31Å; K30-Y106 WeakPolarHBondContact O-CD1 3.47Å; K30-Y106 WeakPolarHBondContact O-CE1 3.42Å
31T86.2Confident68.5Low18 Ų1871.1 Ų71.111%0.1141%0.411CS..Hα-helixtrans-67.2-29.3176.7390000112.9D28 N78 Y79 P82D28-T31 PolarHBondContact O-OG1 3.18Å; T31-N78 VanDerWaalsContact C-OD1 3.28Å; T31-N78 WeakPolarHBondContact CB-OD1 3.25Å; T31-N78 WeakPolarHBondContact O-CA 3.38Å; T31-N78 PolarHBondContact O-OD1 2.9Å; T31-N78 PolarHBondContact OG1-OD1 3.27Å; T31-Y79 VanDerWaalsContact CB-O 3.32Å; T31-Y79 WeakPolarHBondContact CB-O 3.13Å; T31-Y79 WeakPolarHBondContact CG2-O 3.19Å; T31-Y79 PolarHBondContact O-N 2.74Å; T31-P82 HydrophobicContact CG2-CB 4.07Å
32N90.1Very high70.5Confident51 Ų5167 Ų6727%0.27338%0.381SS..EExtended strand (participates in β ladder)trans-91.6127.9-174.9-152.6-42.9000112.2K30 V77 N78 A107K30-N32 VanDerWaalsContact C-N 3.28Å; K30-N32 PolarHBondContact O-N 3.23Å; N32-V77 CarbonylContact C-O 3.51Å; N32-N78 VanDerWaalsContact CA-OD1 3.27Å; N32-N78 WeakPolarHBondContact CA-OD1 3.32Å; N32-N78 VanDerWaalsContact CB-OD1 3.26Å; N32-N78 WeakPolarHBondContact CB-OD1 3.27Å; N32-N78 PolarHBondContact N-OD1 3.07Å; N32-A107 HydrophobicContact CB-CB 4.06Å; N32-A107 PolarHBondContact O-N 3.14Å; N32-A107 VanDerWaalsContact OD1-CB 3.26Å; N32-A107 WeakPolarHBondContact OD1-CB 3.41Å
33L90.9Very high73.2Confident0 Ų064.3 Ų64.30%036%0.364CS..EExtended strand (participates in β ladder)trans-119.5142.3179.6-56.9-171.7000111.6F76 V77 Y79 A85 A88 I89 V104 S105 Y106L33-F76 CarbonylContact O-C 3.52Å; L33-F76 VanDerWaalsContact O-CA 3.25Å; L33-F76 WeakPolarHBondContact O-CA 3.47Å; L33-V77 PolarHBondContact N-O 3.47Å; L33-V77 PolarHBondContact O-N 2.75Å; L33-Y79 HydrophobicContact CD1-CD2 4.19Å; L33-Y79 HydrophobicContact CD1-CE2 3.75Å; L33-Y79 HydrophobicContact CG-CD2 4.46Å; L33-Y79 HydrophobicContact CG-CE2 4.44Å; L33-A85 HydrophobicContact CD1-CB 4.33Å; L33-A85 WeakPolarHBondContact CD1-O 3.31Å; L33-A85 HydrophobicContact CD2-CB 4Å; L33-A85 HydrophobicContact CG-CB 4.12Å; L33-A88 HydrophobicContact CD1-CB 3.81Å; L33-I89 HydrophobicContact CD1-CG1 4.17Å; L33-I89 HydrophobicContact CD2-CD1 3.62Å; L33-I89 HydrophobicContact CD2-CG1 3.74Å; L33-V104 HydrophobicContact CB-CG1 4.39Å; L33-V104 HydrophobicContact CD1-CG1 3.76Å; L33-S105 CarbonylContact C-O 3.59Å; L33-S105 WeakPolarHBondContact CA-O 3.31Å; L33-Y106 HydrophobicContact CD2-CD1 3.77Å; L33-Y106 HydrophobicContact CD2-CE1 4.16Å; L33-Y106 HydrophobicContact CD2-CG 4.43Å
34I90.7Very high75.7Confident36 Ų3660.2 Ų60.219%0.18534%0.34CS..EExtended strand (participates in β ladder)trans-105.5129.8166.2-171.3175.4000109.6Y74 F76 S105 A107I34-Y74 HydrophobicContact CD1-CD2 4.49Å; I34-F76 HydrophobicContact CB-CD1 4.03Å; I34-F76 HydrophobicContact CB-CE1 3.91Å; I34-F76 HydrophobicContact CD1-CE1 3.77Å; I34-F76 HydrophobicContact CD1-CZ 3.95Å; I34-F76 HydrophobicContact CG1-CD1 4.13Å; I34-F76 HydrophobicContact CG1-CE1 3.76Å; I34-F76 HydrophobicContact CG1-CZ 4.24Å; I34-S105 PolarHBondContact N-O 3.06Å; I34-S105 PolarHBondContact O-N 2.58Å; I34-S105 VanDerWaalsContact O-N 3.1Å; I34-A107 HydrophobicContact CB-CB 4.1Å; I34-A107 HydrophobicContact CG2-CB 4.49Å
35V91.2Very high78Confident0 Ų062.1 Ų62.10%033%0.326CS..EExtended strand (participates in β ladder)trans-112.4113.2179-169.70000108.3L38 F47 F51 Y74 G75 V77 I102 K103 V104V35-L38 HydrophobicContact CB-CD1 4.44Å; V35-L38 HydrophobicContact CB-CD2 4.45Å; V35-L38 HydrophobicContact CG1-CD1 4.35Å; V35-L38 HydrophobicContact CG1-CD2 3.53Å; V35-L38 HydrophobicContact CG1-CG 4.01Å; V35-F47 HydrophobicContact CB-CE2 3.89Å; V35-F47 HydrophobicContact CB-CZ 4.05Å; V35-F47 HydrophobicContact CG1-CE2 4.11Å; V35-F47 HydrophobicContact CG2-CE2 3.89Å; V35-F47 HydrophobicContact CG2-CZ 3.84Å; V35-F51 HydrophobicContact CB-CZ 4.21Å; V35-F51 HydrophobicContact CG1-CE2 4.18Å; V35-F51 HydrophobicContact CG1-CZ 3.77Å; V35-F51 HydrophobicContact CG2-CE1 3.67Å; V35-F51 HydrophobicContact CG2-CE2 3.99Å; V35-F51 HydrophobicContact CG2-CZ 3.39Å; V35-Y74 CarbonylContact O-C 3.49Å; V35-Y74 WeakPolarHBondContact O-CA 3.26Å; V35-Y74 WeakPolarHBondContact O-CB 3.48Å; V35-G75 PolarHBondContact N-O 3.28Å; V35-G75 PolarHBondContact O-N 3.48Å; V35-V77 HydrophobicContact CG2-CG2 4.42Å; V35-I102 HydrophobicContact CG1-CB 4.36Å; V35-I102 HydrophobicContact CG1-CD1 4.29Å; V35-K103 WeakPolarHBondContact CA-O 3.18Å; V35-V104 HydrophobicContact CG1-CG2 4.13Å; V35-V104 HydrophobicContact CG2-CG1 4.41Å; V35-V104 HydrophobicContact CG2-CG2 4.38Å
36N89.5Confident80.4Confident50 Ų5061.8 Ų61.827%0.26731%0.313SS..EExtended strand (participates in β ladder)trans-105161.7-179.6-70.1-75.9000111.6L38 I102 K103N36-L38 VanDerWaalsContact C-N 3.33Å; N36-L38 PolarHBondContact O-N 3.13Å; N36-I102 WeakPolarHBondContact O-CA 3.03Å; N36-K103 HydrophobicContact CB-CB 4.48Å; N36-K103 PolarHBondContact N-O 2.8Å; N36-K103 PolarHBondContact O-N 3.38Å
37Y87.2Confident82.6Confident135 Ų13556.8 Ų56.853%0.52928%0.283SS..SBendtrans63.930.6179.5-46.3-78.6000114.5G73 K100 T101 K103Y37-G73 CarbonylContact C-O 3.59Å; Y37-G73 WeakPolarHBondContact CA-O 3.4Å; Y37-G73 PolarHBondContact N-O 2.84Å; Y37-K100 VanDerWaalsContact O-CB 3.24Å; Y37-K100 WeakPolarHBondContact O-CB 3.49Å; Y37-K100 WeakPolarHBondContact O-CD 3.11Å; Y37-T101 WeakPolarHBondContact CB-O 3.26Å; Y37-K103 HydrophobicContact CD2-CB 3.82Å; Y37-K103 HydrophobicContact CE2-CB 3.99Å
38L88.1Confident84.7Confident0 Ų057.8 Ų57.80%028%0.283CS..  trans-63.8148.2172-63.5176.4000111.6V35 N36 M42 F47 L62 G73 K100 I102V35-L38 HydrophobicContact CB-CD1 4.44Å; V35-L38 HydrophobicContact CB-CD2 4.45Å; V35-L38 HydrophobicContact CG1-CD1 4.35Å; V35-L38 HydrophobicContact CG1-CD2 3.53Å; V35-L38 HydrophobicContact CG1-CG 4.01Å; N36-L38 VanDerWaalsContact C-N 3.33Å; N36-L38 PolarHBondContact O-N 3.13Å; L38-M42 HydrophobicContact CD2-SD 3.92Å; L38-F47 HydrophobicContact CD1-CD2 3.77Å; L38-F47 HydrophobicContact CD1-CE2 3.52Å; L38-F47 HydrophobicContact CD1-CZ 4.16Å; L38-F47 HydrophobicContact CD2-CD2 4.2Å; L38-F47 HydrophobicContact CD2-CE2 4.09Å; L38-F47 HydrophobicContact CG-CE2 4.43Å; L38-L62 HydrophobicContact CD1-CD1 3.47Å; L38-L62 VanDerWaalsContact CD1-CD1 3.47Å; L38-G73 PolarHBondContact N-O 2.93Å; L38-G73 WeakPolarHBondContact O-CA 3.27Å; L38-K100 WeakPolarHBondContact O-CD 3.32Å; L38-K100 PolarHBondContact O-NZ 3.16Å; L38-I102 HydrophobicContact CD2-CB 4.46Å; L38-I102 HydrophobicContact CD2-CG2 3.96Å
39P85.2Confident86.4Confident5 Ų556.5 Ų56.53%0.03228%0.283CS..  trans-58.7150.3169.3-21.132.8000112N41 M42 L97P39-N41 WeakPolarHBondContact CB-OD1 2.94Å; P39-M42 HydrophobicContact CB-CB 4.16Å; P39-M42 HydrophobicContact CG-CB 4.44Å; P39-M42 PolarHBondContact O-N 3.46Å; P39-L97 HydrophobicContact CG-CB 3.77Å
40Q83.3Confident87.8Confident121 Ų12156.3 Ų56.357%0.56528%0.278SS*.SBendtrans-76.7-27.4-179.1-81.1-167.7-28.400113.4M42 S71Q40-M42 VanDerWaalsContact C-N 3.34Å; Q40-S71 WeakPolarHBondContact O-CB 3.45Å
41N84.6Confident88.7Confident97 Ų9751.7 Ų51.752%0.51926%0.258SS..SBendtrans-79.1-12.2173.653.5-13.2000113.4P39 T43 Q98P39-N41 WeakPolarHBondContact CB-OD1 2.94Å; N41-T43 PolarHBondContact O-N 3.3Å; N41-Q98 PolarHBondContact ND2-NE2 3.46Å; N41-Q98 VanDerWaalsContact ND2-NE2 3.18Å; N41-Q98 PolarHBondContact ND2-OE1 2.76Å; N41-Q98 PolarHBondContact OD1-OE1 3.46Å
42M86Confident88.8Confident14 Ų1452.7 Ų52.77%0.06927%0.272CS..  trans-63.8130.8-179-165175.9-165.500110.9L38 P39 Q40 E46 F47 L50 L62 L97L38-M42 HydrophobicContact CD2-SD 3.92Å; P39-M42 HydrophobicContact CB-CB 4.16Å; P39-M42 HydrophobicContact CG-CB 4.44Å; P39-M42 PolarHBondContact O-N 3.46Å; Q40-M42 VanDerWaalsContact C-N 3.34Å; M42-E46 HydrophobicContact CE-CB 4.16Å; M42-E46 HydrophobicContact CG-CB 4.26Å; M42-F47 HydrophobicContact CE-CB 4.29Å; M42-F47 HydrophobicContact CE-CD2 4.43Å; M42-F47 HydrophobicContact SD-CD2 4.39Å; M42-L50 HydrophobicContact CE-CB 4.49Å; M42-L50 HydrophobicContact CE-CD2 3.9Å; M42-L62 WeakPolarHBondContact O-CD2 3.47Å; M42-L97 HydrophobicContact CE-CD1 3.9Å; M42-L97 HydrophobicContact SD-CD1 3.94Å
43T88.4Confident88.9Confident47 Ų4754.5 Ų54.529%0.28829%0.289SS..  trans-83.4165-178.764.10000111.8N41 E45 E46 F47N41-T43 PolarHBondContact O-N 3.3Å; T43-E45 VanDerWaalsContact CB-OE2 3.31Å; T43-E45 WeakPolarHBondContact CB-OE2 3.14Å; T43-E46 VanDerWaalsContact CB-OE2 3.29Å; T43-E46 WeakPolarHBondContact CB-OE2 3.42Å; T43-E46 WeakPolarHBondContact CG2-OE2 3.28Å; T43-E46 PolarHBondContact N-OE2 2.87Å; T43-E46 VanDerWaalsContact OG1-CB 3.31Å; T43-E46 WeakPolarHBondContact OG1-CB 3.49Å; T43-E46 VanDerWaalsContact OG1-CD 3.26Å; T43-E46 WeakPolarHBondContact OG1-CG 3.32Å; T43-E46 PolarHBondContact OG1-N 2.97Å; T43-E46 PolarHBondContact OG1-OE2 3.16Å; T43-F47 VanDerWaalsContact O-CB 3.23Å; T43-F47 WeakPolarHBondContact O-CB 3.33Å; T43-F47 PolarHBondContact O-N 3.48Å; T43-F47 VanDerWaalsContact O-N 3.16Å
44Q87.4Confident88.9Confident50 Ų5056.3 Ų56.323%0.23430%0.298CS..Hα-helixtrans-70.5-28.2174.9164.572.813.800109.7K48 C60 L62Q44-K48 WeakPolarHBondContact O-CB 3.38Å; Q44-K48 PolarHBondContact O-N 3.2Å; Q44-C60 PolarHBondContact NE2-O 3.37Å; Q44-L62 VanDerWaalsContact OE1-CB 3.3Å
45E89.6Confident88.8Confident125 Ų12555.4 Ų55.458%0.58430%0.298SS*.Hα-helixtrans-74.6-51.1-176.7-61.664-145.100110.4T43 F47 K48 S49T43-E45 VanDerWaalsContact CB-OE2 3.31Å; T43-E45 WeakPolarHBondContact CB-OE2 3.14Å; E45-F47 VanDerWaalsContact C-N 3.3Å; E45-F47 PolarHBondContact O-N 2.67Å; E45-K48 PolarHBondContact O-N 3.26Å; E45-S49 WeakPolarHBondContact O-CB 3.24Å; E45-S49 PolarHBondContact O-N 3.45Å
46E89.9Confident88.8Confident96 Ų9662.2 Ų62.245%0.44933%0.33SS..Hα-helixtrans-59.2-41.2169.1-71.5162.9123.300111.6M42 T43 S49 L50M42-E46 HydrophobicContact CE-CB 4.16Å; M42-E46 HydrophobicContact CG-CB 4.26Å; T43-E46 VanDerWaalsContact CB-OE2 3.29Å; T43-E46 WeakPolarHBondContact CB-OE2 3.42Å; T43-E46 WeakPolarHBondContact CG2-OE2 3.28Å; T43-E46 PolarHBondContact N-OE2 2.87Å; T43-E46 VanDerWaalsContact OG1-CB 3.31Å; T43-E46 WeakPolarHBondContact OG1-CB 3.49Å; T43-E46 VanDerWaalsContact OG1-CD 3.26Å; T43-E46 WeakPolarHBondContact OG1-CG 3.32Å; T43-E46 PolarHBondContact OG1-N 2.97Å; T43-E46 PolarHBondContact OG1-OE2 3.16Å; E46-S49 PolarHBondContact O-N 3.4Å; E46-L50 WeakPolarHBondContact O-CB 3.33Å; E46-L50 PolarHBondContact O-N 2.62Å
47F91Very high89Confident0 Ų060.9 Ų60.90%032%0.322CS..Hα-helixtrans-65.1-44.1179.7-177.3-112.4000111.9V35 L38 M42 T43 E45 F51 L62 V77V35-F47 HydrophobicContact CB-CE2 3.89Å; V35-F47 HydrophobicContact CB-CZ 4.05Å; V35-F47 HydrophobicContact CG1-CE2 4.11Å; V35-F47 HydrophobicContact CG2-CE2 3.89Å; V35-F47 HydrophobicContact CG2-CZ 3.84Å; L38-F47 HydrophobicContact CD1-CD2 3.77Å; L38-F47 HydrophobicContact CD1-CE2 3.52Å; L38-F47 HydrophobicContact CD1-CZ 4.16Å; L38-F47 HydrophobicContact CD2-CD2 4.2Å; L38-F47 HydrophobicContact CD2-CE2 4.09Å; L38-F47 HydrophobicContact CG-CE2 4.43Å; M42-F47 HydrophobicContact CE-CB 4.29Å; M42-F47 HydrophobicContact CE-CD2 4.43Å; M42-F47 HydrophobicContact SD-CD2 4.39Å; T43-F47 VanDerWaalsContact O-CB 3.23Å; T43-F47 WeakPolarHBondContact O-CB 3.33Å; T43-F47 PolarHBondContact O-N 3.48Å; T43-F47 VanDerWaalsContact O-N 3.16Å; E45-F47 VanDerWaalsContact C-N 3.3Å; E45-F47 PolarHBondContact O-N 2.67Å; F47-F51 AromaticContact CD2-CD2 3.99Å; F47-F51 HydrophobicContact CD2-CD2 3.99Å; F47-F51 AromaticContact CD2-CE2 3.96Å; F47-F51 HydrophobicContact CD2-CE2 3.96Å; F47-F51 AromaticContact CE2-CD2 3.81Å; F47-F51 HydrophobicContact CE2-CD2 3.81Å; F47-F51 AromaticContact CE2-CE2 3.57Å; F47-F51 HydrophobicContact CE2-CE2 3.57Å; F47-F51 HydrophobicContact CE2-CZ 4.38Å; F47-F51 HydrophobicContact CZ-CD2 4.42Å; F47-F51 HydrophobicContact CZ-CE2 4.41Å; F47-F51 WeakPolarHBondContact O-CD2 3.4Å; F47-F51 PolarHBondContact O-N 2.93Å; F47-L62 HydrophobicContact CD1-CB 4.24Å; F47-V77 HydrophobicContact CE1-CG2 3.65Å; F47-V77 HydrophobicContact CE2-CG2 4.41Å; F47-V77 HydrophobicContact CZ-CG2 3.52Å
48K90.9Very high89.1Confident111 Ų11160.6 Ų60.648%0.48333%0.326SS..Hα-helixtrans-62.4-45172.7-174.9173.7-174.4179.80111.3Q44 E45 G52 C60Q44-K48 WeakPolarHBondContact O-CB 3.38Å; Q44-K48 PolarHBondContact O-N 3.2Å; E45-K48 PolarHBondContact O-N 3.26Å; K48-G52 WeakPolarHBondContact O-CA 3.37Å; K48-G52 PolarHBondContact O-N 3.37Å; K48-C60 VanDerWaalsContact CG-SG 3.51Å
49S90.8Very high89Confident87 Ų8763.7 Ų63.761%0.60835%0.347SS*.Hα-helixtrans-65.3-43.6-176.6-164.30000112.3E45 E46 F51 G52 S53E45-S49 WeakPolarHBondContact O-CB 3.24Å; E45-S49 PolarHBondContact O-N 3.45Å; E46-S49 PolarHBondContact O-N 3.4Å; S49-F51 PolarHBondContact O-N 2.91Å; S49-G52 PolarHBondContact O-N 3.32Å; S49-S53 PolarHBondContact O-N 3.07Å
50L90.2Very high89.2Confident42 Ų4264.4 Ų64.422%0.2235%0.352CS..Hα-helixtrans-58.6-51.1177.7179.464.3000111.8M42 E46 S53 L92 L95 L97M42-L50 HydrophobicContact CE-CB 4.49Å; M42-L50 HydrophobicContact CE-CD2 3.9Å; E46-L50 WeakPolarHBondContact O-CB 3.33Å; E46-L50 PolarHBondContact O-N 2.62Å; L50-S53 PolarHBondContact O-OG 3.02Å; L50-L92 HydrophobicContact CD1-CD2 4.23Å; L50-L95 HydrophobicContact CD1-CD2 4.12Å; L50-L95 HydrophobicContact CD2-CD2 4.21Å; L50-L97 HydrophobicContact CD2-CD1 4.04Å
51F90.9Very high89.5Confident0 Ų065.4 Ų65.40%035%0.354CS..Hα-helixtrans-75.9-31.1-178.1-78.5-94.4000112.3V35 F47 S49 S53 I54 I57 V77 Y79 A88 L92 I102 V104V35-F51 HydrophobicContact CB-CZ 4.21Å; V35-F51 HydrophobicContact CG1-CE2 4.18Å; V35-F51 HydrophobicContact CG1-CZ 3.77Å; V35-F51 HydrophobicContact CG2-CE1 3.67Å; V35-F51 HydrophobicContact CG2-CE2 3.99Å; V35-F51 HydrophobicContact CG2-CZ 3.39Å; F47-F51 AromaticContact CD2-CD2 3.99Å; F47-F51 HydrophobicContact CD2-CD2 3.99Å; F47-F51 AromaticContact CD2-CE2 3.96Å; F47-F51 HydrophobicContact CD2-CE2 3.96Å; F47-F51 AromaticContact CE2-CD2 3.81Å; F47-F51 HydrophobicContact CE2-CD2 3.81Å; F47-F51 AromaticContact CE2-CE2 3.57Å; F47-F51 HydrophobicContact CE2-CE2 3.57Å; F47-F51 HydrophobicContact CE2-CZ 4.38Å; F47-F51 HydrophobicContact CZ-CD2 4.42Å; F47-F51 HydrophobicContact CZ-CE2 4.41Å; F47-F51 WeakPolarHBondContact O-CD2 3.4Å; F47-F51 PolarHBondContact O-N 2.93Å; S49-F51 PolarHBondContact O-N 2.91Å; F51-S53 PolarHBondContact O-N 3Å; F51-I54 PolarHBondContact O-N 3.32Å; F51-I54 VanDerWaalsContact O-N 3.16Å; F51-I57 HydrophobicContact CB-CD1 3.69Å; F51-V77 HydrophobicContact CB-CG1 4.22Å; F51-V77 HydrophobicContact CB-CG2 4.15Å; F51-V77 HydrophobicContact CD1-CG2 4.07Å; F51-V77 HydrophobicContact CD2-CG2 4.37Å; F51-V77 HydrophobicContact CG-CG2 3.91Å; F51-Y79 WeakPolarHBondContact CB-OH 3.46Å; F51-Y79 PolarHBondContact O-OH 2.82Å; F51-A88 HydrophobicContact CD1-CB 4.47Å; F51-L92 HydrophobicContact CD1-CD1 3.55Å; F51-L92 HydrophobicContact CD2-CD1 4.31Å; F51-L92 HydrophobicContact CE1-CB 4.28Å; F51-L92 HydrophobicContact CE1-CD1 3.48Å; F51-L92 VanDerWaalsContact CE1-CD1 3.48Å; F51-L92 HydrophobicContact CE2-CD1 4.25Å; F51-L92 HydrophobicContact CG-CD1 3.96Å; F51-L92 HydrophobicContact CZ-CB 4.31Å; F51-L92 HydrophobicContact CZ-CD1 3.83Å; F51-I102 HydrophobicContact CZ-CD1 4.31Å; F51-V104 HydrophobicContact CE1-CG1 4.09Å; F51-V104 HydrophobicContact CE1-CG2 3.92Å; F51-V104 HydrophobicContact CZ-CG2 3.79Å
52G89.8Confident89.7Confident40 Ų4061.3 Ų61.341%0.41233%0.332SS..Hα-helixtrans-70.3-11.3176.700000114K48 S49 I54 I57K48-G52 WeakPolarHBondContact O-CA 3.37Å; K48-G52 PolarHBondContact O-N 3.37Å; S49-G52 PolarHBondContact O-N 3.32Å; G52-I54 PolarHBondContact O-N 3.28Å; G52-I57 VanDerWaalsContact N-CD1 3.33Å
53S91.3Very high89.8Confident89 Ų8962.1 Ų62.162%0.62234%0.338SS*.THydrogen-bonded Turntrans-72-16170.373.10000113.9S49 L50 F51S49-S53 PolarHBondContact O-N 3.07Å; L50-S53 PolarHBondContact O-OG 3.02Å; F51-S53 PolarHBondContact O-N 3Å
54I91.4Very high89.6Confident37 Ų3764.9 Ų64.919%0.1934%0.343CS..THydrogen-bonded Turntrans-94.1-31-178.5-52.5-61.4000112.5F51 G52 K87 A88 T91 L92F51-I54 PolarHBondContact O-N 3.32Å; F51-I54 VanDerWaalsContact O-N 3.16Å; G52-I54 PolarHBondContact O-N 3.28Å; I54-K87 HydrophobicContact CG2-CB 3.61Å; I54-A88 HydrophobicContact CB-CB 4.3Å; I54-A88 HydrophobicContact CG1-CB 4.32Å; I54-A88 HydrophobicContact CG2-CB 3.96Å; I54-T91 HydrophobicContact CD1-CG2 4.05Å; I54-L92 HydrophobicContact CD1-CD1 4.33Å; I54-L92 HydrophobicContact CD1-CD2 4.39Å; I54-L92 HydrophobicContact CD1-CG 4.26Å; I54-L92 HydrophobicContact CG1-CD1 3.75Å; I54-L92 HydrophobicContact CG1-CG 4.18Å
55G89Confident89.3Confident17 Ų1764.7 Ų64.718%0.17534%0.344CS..SBendtrans173.1176.4-170.100000113.2I57 D84G55-I57 PolarHBondContact O-N 3.45Å; G55-D84 WeakPolarHBondContact CA-OD2 3.34Å
56E91.4Very high88.6Confident144 Ų14468.8 Ų68.867%0.67336%0.36SS*.  trans-77.1123.9-173.3-167.5167.5172.200112.7Y79 V80E56-Y79 CarbonylContact O-C 3.52Å; E56-Y79 WeakPolarHBondContact O-CA 3.41Å; E56-Y79 WeakPolarHBondContact O-CD1 3.25Å; E56-V80 HydrophobicContact CB-CB 4.48Å; E56-V80 HydrophobicContact CB-CG2 4.16Å; E56-V80 HydrophobicContact CG-CG2 3.92Å; E56-V80 PolarHBondContact O-N 3.01Å
57I91.9Very high87.8Confident21 Ų2169.2 Ų69.211%0.10836%0.364CS..EExtended strand (participates in β ladder)trans-95113.3-179.6-66.6177.6000110.1F51 G52 G55 S59 C60 V77 Y79F51-I57 HydrophobicContact CB-CD1 3.69Å; G52-I57 VanDerWaalsContact N-CD1 3.33Å; G55-I57 PolarHBondContact O-N 3.45Å; I57-S59 VanDerWaalsContact CG2-C 3.42Å; I57-S59 WeakPolarHBondContact CG2-O 3.38Å; I57-C60 HydrophobicContact CG2-CB 3.84Å; I57-V77 HydrophobicContact CD1-CG1 3.77Å; I57-V77 HydrophobicContact CG1-CG1 3.81Å; I57-V77 HydrophobicContact CG2-CG1 4.12Å; I57-Y79 HydrophobicContact CG1-CD1 4.21Å; I57-Y79 HydrophobicContact CG1-CE1 3.9Å
58E89.6Confident87Confident130 Ų13073.3 Ų73.361%0.60739%0.389SS*.EExtended strand (participates in β ladder)trans-67.7-43.6168.2-171.3-144.87300110.9N78 V80E58-N78 VanDerWaalsContact CD-ND2 3.29Å; E58-N78 PolarHBondContact N-O 3.47Å; E58-N78 PolarHBondContact OE1-ND2 3.5Å; E58-N78 PolarHBondContact OE2-ND2 2.95Å; E58-V80 HydrophobicContact CB-CG2 3.95Å
59S86.6Confident86.3Confident65 Ų6570.2 Ų70.246%0.45539%0.389SS..EExtended strand (participates in β ladder)trans-149.1138.2-179.4-155.90000112.9I57 V77 N78I57-S59 VanDerWaalsContact CG2-C 3.42Å; I57-S59 WeakPolarHBondContact CG2-O 3.38Å; S59-V77 CarbonylContact O-C 3.59Å; S59-V77 WeakPolarHBondContact O-CA 3.37Å; S59-N78 PolarHBondContact N-O 3.34Å; S59-N78 PolarHBondContact O-N 3.18Å
60C89.4Confident85.6Confident19 Ų1971.3 Ų71.313%0.12838%0.384CS..EExtended strand (participates in β ladder)trans-137.2139.7172.254.10000111Q44 K48 I57 F76 V77Q44-C60 PolarHBondContact NE2-O 3.37Å; K48-C60 VanDerWaalsContact CG-SG 3.51Å; I57-C60 HydrophobicContact CG2-CB 3.84Å; C60-F76 CarbonylContact C-O 3.52Å; C60-F76 WeakPolarHBondContact CA-O 3.39Å; C60-V77 HydrophobicContact CB-CG2 4.43Å
61K89.1Confident85.2Confident142 Ų14269.5 Ų69.562%0.61738%0.375SS*.EExtended strand (participates in β ladder)trans-151.297-173.4-169.3169.4-170.6163.30112V63 G75 F76K61-V63 PolarHBondContact O-N 2.89Å; K61-G75 CarbonylContact O-C 3.53Å; K61-G75 VanDerWaalsContact O-CA 3.26Å; K61-G75 WeakPolarHBondContact O-CA 3.5Å; K61-F76 PolarHBondContact N-O 2.79Å; K61-F76 PolarHBondContact O-N 3.1Å
62L89.9Confident84.8Confident11 Ų1172.8 Ų72.86%0.05839%0.392CS..EExtended strand (participates in β ladder)trans-64126.3163.6-177.365.3000109.2L38 M42 Q44 F47 R64L38-L62 HydrophobicContact CD1-CD1 3.47Å; L38-L62 VanDerWaalsContact CD1-CD1 3.47Å; M42-L62 WeakPolarHBondContact O-CD2 3.47Å; Q44-L62 VanDerWaalsContact OE1-CB 3.3Å; F47-L62 HydrophobicContact CD1-CB 4.24Å; L62-R64 HydrophobicContact CG-CG 4.49Å; L62-R64 PolarHBondContact O-N 3.43Å
63V87Confident84.5Confident31 Ų3171.2 Ų71.219%0.18838%0.376CS..EExtended strand (participates in β ladder)trans-86.4115.5-178.9-167.80000109.7K61 L72 Y74 F76K61-V63 PolarHBondContact O-N 2.89Å; V63-L72 HydrophobicContact CG1-CD1 3.8Å; V63-L72 HydrophobicContact CG1-CG 4.48Å; V63-L72 WeakPolarHBondContact O-CB 3.4Å; V63-L72 PolarHBondContact O-N 2.92Å; V63-Y74 HydrophobicContact CB-CD2 4.2Å; V63-Y74 HydrophobicContact CB-CE1 4.36Å; V63-Y74 HydrophobicContact CB-CE2 3.85Å; V63-Y74 HydrophobicContact CG1-CE2 4.21Å; V63-Y74 HydrophobicContact CG2-CD2 3.84Å; V63-Y74 HydrophobicContact CG2-CE2 3.52Å; V63-Y74 PolarHBondContact N-O 2.8Å; V63-F76 HydrophobicContact CG2-CD2 3.85Å; V63-F76 HydrophobicContact CG2-CE2 3.79Å
64R85.3Confident84.5Confident106 Ų10670.6 Ų70.640%0.436%0.36SS..EExtended strand (participates in β ladder)trans-110.3148.7176.2-64.9-179.9174.7171.1-0.5110.7L62 G69 Q70L62-R64 HydrophobicContact CG-CG 4.49Å; L62-R64 PolarHBondContact O-N 3.43Å; R64-G69 WeakPolarHBondContact CD-O 3.36Å; R64-Q70 CarbonylContact C-O 3.51Å; R64-Q70 VanDerWaalsContact CA-O 3.26Å; R64-Q70 WeakPolarHBondContact CA-O 3.36Å
65D80.9Confident84.4Confident46 Ų4668.8 Ų68.825%0.24635%0.351CS..  trans-64.3134.5173.5-176.2-90.5000110.9I67 T68 G69 Q70 L72D65-I67 VanDerWaalsContact C-N 3.28Å; D65-I67 PolarHBondContact O-N 3.18Å; D65-I67 VanDerWaalsContact OD1-CA 3.31Å; D65-I67 WeakPolarHBondContact OD1-CA 3.48Å; D65-I67 WeakPolarHBondContact OD1-CB 3.33Å; D65-I67 PolarHBondContact OD1-N 2.7Å; D65-T68 WeakPolarHBondContact CB-OG1 3.33Å; D65-T68 PolarHBondContact OD1-N 2.89Å; D65-T68 PolarHBondContact OD1-OG1 3.35Å; D65-G69 VanDerWaalsContact O-CA 3.23Å; D65-G69 WeakPolarHBondContact O-CA 3.37Å; D65-G69 PolarHBondContact O-N 3.42Å; D65-Q70 PolarHBondContact N-O 3.35Å; D65-L72 HydrophobicContact CB-CD2 3.9Å
66K73.9Confident84.6Confident210 Ų21071.1 Ų71.191%0.91336%0.357SS*.THydrogen-bonded Turntrans-76.1-10-176.1-71.7-169.2174.7-171.50114.5
67I72.9Confident84.7Confident106 Ų10664.3 Ų64.354%0.54433%0.325SS..THydrogen-bonded Turntrans-112.8-30.5-171.2-57.3174.7000111.4D65 K316D65-I67 VanDerWaalsContact C-N 3.28Å; D65-I67 PolarHBondContact O-N 3.18Å; D65-I67 VanDerWaalsContact OD1-CA 3.31Å; D65-I67 WeakPolarHBondContact OD1-CA 3.48Å; D65-I67 WeakPolarHBondContact OD1-CB 3.33Å; D65-I67 PolarHBondContact OD1-N 2.7Å; I67-K316 PolarHBondContact O-NZ 3.49Å
68T75.6Confident84.6Confident85 Ų8564.4 Ų64.452%0.52133%0.325SS..THydrogen-bonded Turntrans-112-17.9177.971.40000113.6D65 Q70D65-T68 WeakPolarHBondContact CB-OG1 3.33Å; D65-T68 PolarHBondContact OD1-N 2.89Å; D65-T68 PolarHBondContact OD1-OG1 3.35Å; T68-Q70 PolarHBondContact O-N 2.84Å; T68-Q70 PolarHBondContact OG1-N 2.89Å
69G75.4Confident84.8Confident46 Ų4658.2 Ų58.247%0.47430%0.297SS..  trans74.4-4.3-174.600000114.8R64 D65R64-G69 WeakPolarHBondContact CD-O 3.36Å; D65-G69 VanDerWaalsContact O-CA 3.23Å; D65-G69 WeakPolarHBondContact O-CA 3.37Å; D65-G69 PolarHBondContact O-N 3.42Å
70Q75.4Confident84.9Confident111 Ų11158.7 Ų58.752%0.51930%0.297SS..  trans-69.9145.8-178-66.3-177.2-10.500111.8R64 D65 T68 L72R64-Q70 CarbonylContact C-O 3.51Å; R64-Q70 VanDerWaalsContact CA-O 3.26Å; R64-Q70 WeakPolarHBondContact CA-O 3.36Å; D65-Q70 PolarHBondContact N-O 3.35Å; T68-Q70 PolarHBondContact O-N 2.84Å; T68-Q70 PolarHBondContact OG1-N 2.89Å; Q70-L72 PolarHBondContact O-N 3.21Å
71S81.9Confident84.9Confident3 Ų361.5 Ų61.52%0.02131%0.31CS..EExtended strand (participates in β ladder)trans-63.1129.6171.2174.70000110.9Q40 G73Q40-S71 WeakPolarHBondContact O-CB 3.45Å; S71-G73 PolarHBondContact O-N 2.92Å; S71-G73 PolarHBondContact OG-N 2.84Å; S71-G73 VanDerWaalsContact OG-N 3.14Å
72L82.4Confident85Confident69 Ų6956.7 Ų56.736%0.36129%0.294SS..EExtended strand (participates in β ladder)trans-73.40.4172.2-60.5-174.5000112.3V63 D65 Q70 Y74V63-L72 HydrophobicContact CG1-CD1 3.8Å; V63-L72 HydrophobicContact CG1-CG 4.48Å; V63-L72 WeakPolarHBondContact O-CB 3.4Å; V63-L72 PolarHBondContact O-N 2.92Å; D65-L72 HydrophobicContact CB-CD2 3.9Å; Q70-L72 PolarHBondContact O-N 3.21Å; L72-Y74 VanDerWaalsContact C-N 3.33Å; L72-Y74 HydrophobicContact CB-CD1 3.74Å; L72-Y74 HydrophobicContact CB-CE1 3.53Å; L72-Y74 HydrophobicContact CD1-CE1 3.79Å; L72-Y74 HydrophobicContact CG-CE1 4.32Å
73G85.2Confident85Confident7 Ų761.2 Ų61.27%0.07232%0.318CS..EExtended strand (participates in β ladder)trans74.921.4-179.300000113.8Y37 L38 S71Y37-G73 CarbonylContact C-O 3.59Å; Y37-G73 WeakPolarHBondContact CA-O 3.4Å; Y37-G73 PolarHBondContact N-O 2.84Å; L38-G73 PolarHBondContact N-O 2.93Å; L38-G73 WeakPolarHBondContact O-CA 3.27Å; S71-G73 PolarHBondContact O-N 2.92Å; S71-G73 PolarHBondContact OG-N 2.84Å; S71-G73 VanDerWaalsContact OG-N 3.14Å
74Y89.5Confident85.3Confident76 Ų7660.8 Ų60.830%0.29831%0.314SS..EExtended strand (participates in β ladder)trans-146.7157169.471.9-83.9000112I34 V35 V63 L72 F76I34-Y74 HydrophobicContact CD1-CD2 4.49Å; V35-Y74 CarbonylContact O-C 3.49Å; V35-Y74 WeakPolarHBondContact O-CA 3.26Å; V35-Y74 WeakPolarHBondContact O-CB 3.48Å; V63-Y74 HydrophobicContact CB-CD2 4.2Å; V63-Y74 HydrophobicContact CB-CE1 4.36Å; V63-Y74 HydrophobicContact CB-CE2 3.85Å; V63-Y74 HydrophobicContact CG1-CE2 4.21Å; V63-Y74 HydrophobicContact CG2-CD2 3.84Å; V63-Y74 HydrophobicContact CG2-CE2 3.52Å; V63-Y74 PolarHBondContact N-O 2.8Å; L72-Y74 VanDerWaalsContact C-N 3.33Å; L72-Y74 HydrophobicContact CB-CD1 3.74Å; L72-Y74 HydrophobicContact CB-CE1 3.53Å; L72-Y74 HydrophobicContact CD1-CE1 3.79Å; L72-Y74 HydrophobicContact CG-CE1 4.32Å; Y74-F76 HydrophobicContact CD2-CE2 4.21Å; Y74-F76 AromaticContact CE2-CE2 3.91Å; Y74-F76 HydrophobicContact CE2-CE2 3.91Å; Y74-F76 HydrophobicContact CE2-CZ 4.28Å
75G91.1Very high85.5Confident0 Ų055.7 Ų55.70%030%0.295CS..EExtended strand (participates in β ladder)trans-148.4170.7-179.600000112.2V35 K61V35-G75 PolarHBondContact N-O 3.28Å; V35-G75 PolarHBondContact O-N 3.48Å; K61-G75 CarbonylContact O-C 3.53Å; K61-G75 VanDerWaalsContact O-CA 3.26Å; K61-G75 WeakPolarHBondContact O-CA 3.5Å
76F91.9Very high86Confident66 Ų6656.7 Ų56.729%0.28930%0.3SS..EExtended strand (participates in β ladder)trans-122146.1174.9-63.1-86000110.8L33 I34 C60 K61 V63 Y74 A107L33-F76 CarbonylContact O-C 3.52Å; L33-F76 VanDerWaalsContact O-CA 3.25Å; L33-F76 WeakPolarHBondContact O-CA 3.47Å; I34-F76 HydrophobicContact CB-CD1 4.03Å; I34-F76 HydrophobicContact CB-CE1 3.91Å; I34-F76 HydrophobicContact CD1-CE1 3.77Å; I34-F76 HydrophobicContact CD1-CZ 3.95Å; I34-F76 HydrophobicContact CG1-CD1 4.13Å; I34-F76 HydrophobicContact CG1-CE1 3.76Å; I34-F76 HydrophobicContact CG1-CZ 4.24Å; C60-F76 CarbonylContact C-O 3.52Å; C60-F76 WeakPolarHBondContact CA-O 3.39Å; K61-F76 PolarHBondContact N-O 2.79Å; K61-F76 PolarHBondContact O-N 3.1Å; V63-F76 HydrophobicContact CG2-CD2 3.85Å; V63-F76 HydrophobicContact CG2-CE2 3.79Å; Y74-F76 HydrophobicContact CD2-CE2 4.21Å; Y74-F76 AromaticContact CE2-CE2 3.91Å; Y74-F76 HydrophobicContact CE2-CE2 3.91Å; Y74-F76 HydrophobicContact CE2-CZ 4.28Å; F76-A107 HydrophobicContact CD1-CB 4Å; F76-A107 HydrophobicContact CE1-CB 4.24Å
77V92.8Very high86.9Confident0 Ų051.6 Ų51.60%028%0.279CS..EExtended strand (participates in β ladder)trans-137.3119174.8-176.20000108.6N32 L33 V35 F47 F51 I57 S59 C60 Y79N32-V77 CarbonylContact C-O 3.51Å; L33-V77 PolarHBondContact N-O 3.47Å; L33-V77 PolarHBondContact O-N 2.75Å; V35-V77 HydrophobicContact CG2-CG2 4.42Å; F47-V77 HydrophobicContact CE1-CG2 3.65Å; F47-V77 HydrophobicContact CE2-CG2 4.41Å; F47-V77 HydrophobicContact CZ-CG2 3.52Å; F51-V77 HydrophobicContact CB-CG1 4.22Å; F51-V77 HydrophobicContact CB-CG2 4.15Å; F51-V77 HydrophobicContact CD1-CG2 4.07Å; F51-V77 HydrophobicContact CD2-CG2 4.37Å; F51-V77 HydrophobicContact CG-CG2 3.91Å; I57-V77 HydrophobicContact CD1-CG1 3.77Å; I57-V77 HydrophobicContact CG1-CG1 3.81Å; I57-V77 HydrophobicContact CG2-CG1 4.12Å; S59-V77 CarbonylContact O-C 3.59Å; S59-V77 WeakPolarHBondContact O-CA 3.37Å; C60-V77 HydrophobicContact CB-CG2 4.43Å; V77-Y79 HydrophobicContact CB-CE2 4.42Å; V77-Y79 HydrophobicContact CG1-CD2 3.98Å; V77-Y79 HydrophobicContact CG1-CE2 3.61Å
78N91.4Very high87.8Confident23 Ų2346.6 Ų46.612%0.12325%0.253CS..EExtended strand (participates in β ladder)trans-99118.3167.6-15445.5000108.1T31 N32 E58 S59T31-N78 VanDerWaalsContact C-OD1 3.28Å; T31-N78 WeakPolarHBondContact CB-OD1 3.25Å; T31-N78 WeakPolarHBondContact O-CA 3.38Å; T31-N78 PolarHBondContact O-OD1 2.9Å; T31-N78 PolarHBondContact OG1-OD1 3.27Å; N32-N78 VanDerWaalsContact CA-OD1 3.27Å; N32-N78 WeakPolarHBondContact CA-OD1 3.32Å; N32-N78 VanDerWaalsContact CB-OD1 3.26Å; N32-N78 WeakPolarHBondContact CB-OD1 3.27Å; N32-N78 PolarHBondContact N-OD1 3.07Å; E58-N78 VanDerWaalsContact CD-ND2 3.29Å; E58-N78 PolarHBondContact N-O 3.47Å; E58-N78 PolarHBondContact OE1-ND2 3.5Å; E58-N78 PolarHBondContact OE2-ND2 2.95Å; S59-N78 PolarHBondContact N-O 3.34Å; S59-N78 PolarHBondContact O-N 3.18Å
79Y92.3Very high88.6Confident1 Ų143.5 Ų43.50%0.00423%0.233CC..EExtended strand (participates in β ladder)trans-82.2156.2169.1-74.9-89.7000110.5T31 L33 F51 E56 I57 V77 D81 D84 A85 A88T31-Y79 VanDerWaalsContact CB-O 3.32Å; T31-Y79 WeakPolarHBondContact CB-O 3.13Å; T31-Y79 WeakPolarHBondContact CG2-O 3.19Å; T31-Y79 PolarHBondContact O-N 2.74Å; L33-Y79 HydrophobicContact CD1-CD2 4.19Å; L33-Y79 HydrophobicContact CD1-CE2 3.75Å; L33-Y79 HydrophobicContact CG-CD2 4.46Å; L33-Y79 HydrophobicContact CG-CE2 4.44Å; F51-Y79 WeakPolarHBondContact CB-OH 3.46Å; F51-Y79 PolarHBondContact O-OH 2.82Å; E56-Y79 CarbonylContact O-C 3.52Å; E56-Y79 WeakPolarHBondContact O-CA 3.41Å; E56-Y79 WeakPolarHBondContact O-CD1 3.25Å; I57-Y79 HydrophobicContact CG1-CD1 4.21Å; I57-Y79 HydrophobicContact CG1-CE1 3.9Å; V77-Y79 HydrophobicContact CB-CE2 4.42Å; V77-Y79 HydrophobicContact CG1-CD2 3.98Å; V77-Y79 HydrophobicContact CG1-CE2 3.61Å; Y79-D81 WeakPolarHBondContact CB-O 3.23Å; Y79-D84 HydrophobicContact CD1-CB 3.76Å; Y79-D84 HydrophobicContact CE1-CB 4.27Å; Y79-D84 HydrophobicContact CG-CB 4.25Å; Y79-A85 HydrophobicContact CD2-CB 3.8Å; Y79-A85 HydrophobicContact CG-CB 4.29Å; Y79-A88 HydrophobicContact CE2-CB 3.7Å; Y79-A88 WeakPolarHBondContact OH-CB 3.09Å
80V89.7Confident89.3Confident75 Ų7546.9 Ų46.946%0.45524%0.24SC..SBendtrans-67-45.5166.8-179.40000109.3E56 E58E56-V80 HydrophobicContact CB-CB 4.48Å; E56-V80 HydrophobicContact CB-CG2 4.16Å; E56-V80 HydrophobicContact CG-CG2 3.92Å; E56-V80 PolarHBondContact O-N 3.01Å; E58-V80 HydrophobicContact CB-CG2 3.95Å
81D90.1Very high90Very high77 Ų7745.9 Ų45.941%0.41224%0.242SC..SBendtrans-100.4129.7-178.3-99.4-71.4000113Y79 N83 D84 A85Y79-D81 WeakPolarHBondContact CB-O 3.23Å; D81-N83 PolarHBondContact O-N 2.92Å; D81-D84 HydrophobicContact CB-CB 4.28Å; D81-D84 PolarHBondContact O-N 3.45Å; D81-D84 VanDerWaalsContact O-N 3.16Å; D81-A85 PolarHBondContact O-N 2.76Å
82P89.5Confident90.4Very high41 Ų4146.2 Ų46.227%0.26624%0.243SC..Hα-helixtrans-67.2-23.5174.827.9-34.1000112.4K30 T31 D84 A85 D86K30-P82 HydrophobicContact CB-CB 3.91Å; T31-P82 HydrophobicContact CG2-CB 4.07Å; P82-D84 VanDerWaalsContact C-N 3.32Å; P82-A85 PolarHBondContact O-N 2.74Å; P82-D86 PolarHBondContact O-N 2.95Å; P82-D86 VanDerWaalsContact O-N 3.13Å
83N91.3Very high90.8Very high106 Ų10646.5 Ų46.557%0.56725%0.245SC*.Hα-helixtrans-64.8-36.8173.4-64.7-59.9000111.8D81 D86 K87D81-N83 PolarHBondContact O-N 2.92Å; N83-D86 PolarHBondContact O-N 3.13Å; N83-K87 WeakPolarHBondContact O-CG 3.15Å; N83-K87 PolarHBondContact O-N 3.41Å
84D92.3Very high90.9Very high22 Ų2248.2 Ų48.212%0.11826%0.263CS..Hα-helixtrans-77.9-31.2179.7-71.5-5.8000111.7G55 Y79 D81 P82 K87 A88G55-D84 WeakPolarHBondContact CA-OD2 3.34Å; Y79-D84 HydrophobicContact CD1-CB 3.76Å; Y79-D84 HydrophobicContact CE1-CB 4.27Å; Y79-D84 HydrophobicContact CG-CB 4.25Å; D81-D84 HydrophobicContact CB-CB 4.28Å; D81-D84 PolarHBondContact O-N 3.45Å; D81-D84 VanDerWaalsContact O-N 3.16Å; P82-D84 VanDerWaalsContact C-N 3.32Å; D84-K87 PolarHBondContact O-N 2.88Å; D84-K87 WeakPolarHBondContact OD1-CE 3.43Å; D84-K87 IonicContact OD1-NZ 2.66Å; D84-K87 PolarHBondContact OD1-NZ 3.16Å; D84-A88 VanDerWaalsContact O-CB 3.25Å; D84-A88 WeakPolarHBondContact O-CB 3.35Å; D84-A88 PolarHBondContact O-N 3.03Å
85A90.8Very high90.9Very high0 Ų047.5 Ų47.50%026%0.264CS..Hα-helixtrans-61.8-41.9169.100000112.3K30 L33 Y79 D81 P82 A88 I89K30-A85 WeakPolarHBondContact O-CB 3.29Å; L33-A85 HydrophobicContact CD1-CB 4.33Å; L33-A85 WeakPolarHBondContact CD1-O 3.31Å; L33-A85 HydrophobicContact CD2-CB 4Å; L33-A85 HydrophobicContact CG-CB 4.12Å; Y79-A85 HydrophobicContact CD2-CB 3.8Å; Y79-A85 HydrophobicContact CG-CB 4.29Å; D81-A85 PolarHBondContact O-N 2.76Å; P82-A85 PolarHBondContact O-N 2.74Å; A85-A88 PolarHBondContact O-N 3.06Å; A85-I89 PolarHBondContact O-N 3.49Å
86D91.4Very high90.7Very high66 Ų6654.8 Ų54.835%0.35330%0.295SS..Hα-helixtrans-67.5-45.2175.4-171-94.7000112.3P82 N83 A88 I89 N90 Y106P82-D86 PolarHBondContact O-N 2.95Å; P82-D86 VanDerWaalsContact O-N 3.13Å; N83-D86 PolarHBondContact O-N 3.13Å; D86-A88 PolarHBondContact O-N 3.18Å; D86-I89 PolarHBondContact O-N 2.78Å; D86-N90 PolarHBondContact O-N 2.86Å; D86-N90 PolarHBondContact O-ND2 3.25Å; D86-N90 PolarHBondContact OD1-ND2 3.3Å; D86-Y106 WeakPolarHBondContact CB-OH 3.17Å; D86-Y106 PolarHBondContact OD2-OH 2.64Å
87K92.3Very high90.4Very high104 Ų10453.4 Ų53.445%0.45229%0.291SS..Hα-helixtrans-53.9-41.3170.6-70.1171.5-161.6163.30111.6I54 N83 D84 N90 T91I54-K87 HydrophobicContact CG2-CB 3.61Å; N83-K87 WeakPolarHBondContact O-CG 3.15Å; N83-K87 PolarHBondContact O-N 3.41Å; D84-K87 PolarHBondContact O-N 2.88Å; D84-K87 WeakPolarHBondContact OD1-CE 3.43Å; D84-K87 IonicContact OD1-NZ 2.66Å; D84-K87 PolarHBondContact OD1-NZ 3.16Å; K87-N90 PolarHBondContact O-N 3.18Å; K87-T91 WeakPolarHBondContact O-CB 3.42Å; K87-T91 PolarHBondContact O-N 2.51Å; K87-T91 PolarHBondContact O-OG1 3.44Å
88A92.2Very high89.8Confident0 Ų058.9 Ų58.90%032%0.316CS..Hα-helixtrans-70.3-35.3-178.800000112.3L33 F51 I54 Y79 D84 A85 D86 L92L33-A88 HydrophobicContact CD1-CB 3.81Å; F51-A88 HydrophobicContact CD1-CB 4.47Å; I54-A88 HydrophobicContact CB-CB 4.3Å; I54-A88 HydrophobicContact CG1-CB 4.32Å; I54-A88 HydrophobicContact CG2-CB 3.96Å; Y79-A88 HydrophobicContact CE2-CB 3.7Å; Y79-A88 WeakPolarHBondContact OH-CB 3.09Å; D84-A88 VanDerWaalsContact O-CB 3.25Å; D84-A88 WeakPolarHBondContact O-CB 3.35Å; D84-A88 PolarHBondContact O-N 3.03Å; A85-A88 PolarHBondContact O-N 3.06Å; D86-A88 PolarHBondContact O-N 3.18Å; A88-L92 VanDerWaalsContact O-CB 3.24Å; A88-L92 WeakPolarHBondContact O-CB 3.29Å; A88-L92 PolarHBondContact O-N 3.05Å
89I91.9Very high89.3Confident21 Ų2163.9 Ų63.911%0.10835%0.348CS..Hα-helixtrans-61.9-55.5166.8-65.8164.9000109.4L33 A85 D86 T91 N93 V104 Y106L33-I89 HydrophobicContact CD1-CG1 4.17Å; L33-I89 HydrophobicContact CD2-CD1 3.62Å; L33-I89 HydrophobicContact CD2-CG1 3.74Å; A85-I89 PolarHBondContact O-N 3.49Å; D86-I89 PolarHBondContact O-N 2.78Å; I89-T91 VanDerWaalsContact C-N 3.26Å; I89-T91 PolarHBondContact O-N 2.86Å; I89-N93 HydrophobicContact CG2-CB 4.39Å; I89-N93 WeakPolarHBondContact O-CB 3.32Å; I89-N93 PolarHBondContact O-N 2.67Å; I89-V104 HydrophobicContact CG1-CG1 3.91Å; I89-Y106 HydrophobicContact CD1-CD1 3.79Å; I89-Y106 HydrophobicContact CD1-CD2 3.52Å; I89-Y106 HydrophobicContact CD1-CE1 3.59Å; I89-Y106 HydrophobicContact CD1-CE2 3.3Å; I89-Y106 HydrophobicContact CD1-CG 3.76Å
90N90.8Very high88.9Confident117 Ų11767.1 Ų67.163%0.62636%0.362SS*.Hα-helixtrans-66.4-24.6-172.3-74.9-46.8000114D86 K87D86-N90 PolarHBondContact O-N 2.86Å; D86-N90 PolarHBondContact O-ND2 3.25Å; D86-N90 PolarHBondContact OD1-ND2 3.3Å; K87-N90 PolarHBondContact O-N 3.18Å
91T89.3Confident88.9Confident90 Ų9067.2 Ų67.255%0.55236%0.363SS*.Hα-helixtrans-97.7-37.5-179.9-47.20000113.6I54 K87 I89I54-T91 HydrophobicContact CD1-CG2 4.05Å; K87-T91 WeakPolarHBondContact O-CB 3.42Å; K87-T91 PolarHBondContact O-N 2.51Å; K87-T91 PolarHBondContact O-OG1 3.44Å; I89-T91 VanDerWaalsContact C-N 3.26Å; I89-T91 PolarHBondContact O-N 2.86Å
92L89.8Confident88.9Confident9 Ų963.6 Ų63.65%0.04734%0.344CS..Hα-helixtrans-105.3-14.5-171.9-56.2174.4000114L50 F51 I54 A88 G94 L95 I102 V104L50-L92 HydrophobicContact CD1-CD2 4.23Å; F51-L92 HydrophobicContact CD1-CD1 3.55Å; F51-L92 HydrophobicContact CD2-CD1 4.31Å; F51-L92 HydrophobicContact CE1-CB 4.28Å; F51-L92 HydrophobicContact CE1-CD1 3.48Å; F51-L92 VanDerWaalsContact CE1-CD1 3.48Å; F51-L92 HydrophobicContact CE2-CD1 4.25Å; F51-L92 HydrophobicContact CG-CD1 3.96Å; F51-L92 HydrophobicContact CZ-CB 4.31Å; F51-L92 HydrophobicContact CZ-CD1 3.83Å; I54-L92 HydrophobicContact CD1-CD1 4.33Å; I54-L92 HydrophobicContact CD1-CD2 4.39Å; I54-L92 HydrophobicContact CD1-CG 4.26Å; I54-L92 HydrophobicContact CG1-CD1 3.75Å; I54-L92 HydrophobicContact CG1-CG 4.18Å; A88-L92 VanDerWaalsContact O-CB 3.24Å; A88-L92 WeakPolarHBondContact O-CB 3.29Å; A88-L92 PolarHBondContact O-N 3.05Å; L92-G94 PolarHBondContact O-N 2.98Å; L92-L95 HydrophobicContact CD2-CD2 4.09Å; L92-L95 VanDerWaalsContact O-CB 3.28Å; L92-L95 WeakPolarHBondContact O-CB 3.08Å; L92-L95 PolarHBondContact O-N 2.9Å; L92-I102 WeakPolarHBondContact O-CG1 3.38Å; L92-V104 HydrophobicContact CB-CG2 4Å
93N90.8Very high89Confident76 Ų7666.6 Ų66.641%0.40635%0.352SS..THydrogen-bonded Turntrans-67.5124.6172.6-175.641000110.5I89 K103 V104I89-N93 HydrophobicContact CG2-CB 4.39Å; I89-N93 WeakPolarHBondContact O-CB 3.32Å; I89-N93 PolarHBondContact O-N 2.67Å; N93-K103 WeakPolarHBondContact OD1-CA 3.26Å; N93-V104 HydrophobicContact CB-CB 4.03Å; N93-V104 PolarHBondContact OD1-N 3.37Å; N93-V104 VanDerWaalsContact OD1-N 3.07Å; N93-V104 PolarHBondContact OD1-O 2.85Å
94G87.7Confident89Confident43 Ų4361.5 Ų61.544%0.44333%0.325SS..THydrogen-bonded Turntrans88.50.7-174.300000114.5L92 K96 T101 I102L92-G94 PolarHBondContact O-N 2.98Å; G94-K96 PolarHBondContact O-N 2.82Å; G94-T101 WeakPolarHBondContact O-CG2 3.4Å; G94-I102 WeakPolarHBondContact CA-O 3.24Å; G94-I102 PolarHBondContact N-O 3.49Å
95L88.6Confident88.8Confident61 Ų6162.3 Ų62.332%0.31933%0.332SS..  trans-63.9127.9174.7-172.973.2000110.7L50 L92 L97 I102L50-L95 HydrophobicContact CD1-CD2 4.12Å; L50-L95 HydrophobicContact CD2-CD2 4.21Å; L92-L95 HydrophobicContact CD2-CD2 4.09Å; L92-L95 VanDerWaalsContact O-CB 3.28Å; L92-L95 WeakPolarHBondContact O-CB 3.08Å; L92-L95 PolarHBondContact O-N 2.9Å; L95-L97 HydrophobicContact CD2-CD2 3.84Å; L95-L97 HydrophobicContact CD2-CG 4.37Å; L95-L97 HydrophobicContact CG-CD2 4.2Å; L95-L97 PolarHBondContact O-N 2.89Å; L95-I102 HydrophobicContact CB-CD1 3.99Å; L95-I102 HydrophobicContact CB-CG1 4.01Å; L95-I102 HydrophobicContact CD2-CD1 4.3Å; L95-I102 PolarHBondContact O-N 2.86Å
96K87.4Confident88.7Confident153 Ų15366.7 Ų66.767%0.66535%0.35SS*.EExtended strand (participates in β ladder)trans-88.8103.8-179.5-169.8-179.4178.6-176.40110.9G94 K100G94-K96 PolarHBondContact O-N 2.82Å; K96-K100 CarbonylContact C-O 3.58Å; K96-K100 WeakPolarHBondContact CA-O 3.43Å
97L85.1Confident88.3Confident36 Ų3663.8 Ų63.819%0.18834%0.335CS..EExtended strand (participates in β ladder)trans-99.8111.1173.7-61.5-173.3000110.1P39 M42 L50 L95 T99 K100 I102P39-L97 HydrophobicContact CG-CB 3.77Å; M42-L97 HydrophobicContact CE-CD1 3.9Å; M42-L97 HydrophobicContact SD-CD1 3.94Å; L50-L97 HydrophobicContact CD2-CD1 4.04Å; L95-L97 HydrophobicContact CD2-CD2 3.84Å; L95-L97 HydrophobicContact CD2-CG 4.37Å; L95-L97 HydrophobicContact CG-CD2 4.2Å; L95-L97 PolarHBondContact O-N 2.89Å; L97-T99 PolarHBondContact O-N 2.87Å; L97-T99 VanDerWaalsContact O-N 3.13Å; L97-K100 CarbonylContact C-O 3.57Å; L97-K100 PolarHBondContact N-O 2.89Å; L97-K100 PolarHBondContact O-N 3.15Å; L97-K100 VanDerWaalsContact O-O 3.05Å; L97-I102 HydrophobicContact CB-CG2 4.21Å; L97-I102 HydrophobicContact CD1-CD1 4.34Å; L97-I102 HydrophobicContact CD1-CG2 3.77Å; L97-I102 HydrophobicContact CG-CG2 3.91Å
98Q80.3Confident87.4Confident115 Ų11564.3 Ų64.354%0.53733%0.334SS..THydrogen-bonded Turntrans55.6-113.1-179.8-53.5172.512.800111.5N41N41-Q98 PolarHBondContact ND2-NE2 3.46Å; N41-Q98 VanDerWaalsContact ND2-NE2 3.18Å; N41-Q98 PolarHBondContact ND2-OE1 2.76Å; N41-Q98 PolarHBondContact OD1-OE1 3.46Å
99T81.6Confident86.2Confident129 Ų12968.3 Ų68.379%0.79136%0.36SS*.THydrogen-bonded Turntrans-93.32.4-179.553.80000114L97L97-T99 PolarHBondContact O-N 2.87Å; L97-T99 VanDerWaalsContact O-N 3.13Å
100K84.9Confident84.6Confident68 Ų6871 Ų7130%0.29638%0.381SS..EExtended strand (participates in β ladder)trans-125.9151.2-176.7-59.6-173.9-173.8-179.40112.2Y37 L38 K96 L97Y37-K100 VanDerWaalsContact O-CB 3.24Å; Y37-K100 WeakPolarHBondContact O-CB 3.49Å; Y37-K100 WeakPolarHBondContact O-CD 3.11Å; L38-K100 WeakPolarHBondContact O-CD 3.32Å; L38-K100 PolarHBondContact O-NZ 3.16Å; K96-K100 CarbonylContact C-O 3.58Å; K96-K100 WeakPolarHBondContact CA-O 3.43Å; L97-K100 CarbonylContact C-O 3.57Å; L97-K100 PolarHBondContact N-O 2.89Å; L97-K100 PolarHBondContact O-N 3.15Å; L97-K100 VanDerWaalsContact O-O 3.05Å
101T88.4Confident83Confident78 Ų7868.1 Ų68.148%0.47937%0.37SS..EExtended strand (participates in β ladder)trans-101.8118.3167.4-580000107.9Y37 G94Y37-T101 WeakPolarHBondContact CB-O 3.26Å; G94-T101 WeakPolarHBondContact O-CG2 3.4Å
102I91.4Very high81.4Confident1 Ų167.8 Ų67.81%0.00538%0.376CS..  trans-75.7145.2-178.278.3-177.5000110V35 N36 L38 F51 L92 G94 L95 L97 V104V35-I102 HydrophobicContact CG1-CB 4.36Å; V35-I102 HydrophobicContact CG1-CD1 4.29Å; N36-I102 WeakPolarHBondContact O-CA 3.03Å; L38-I102 HydrophobicContact CD2-CB 4.46Å; L38-I102 HydrophobicContact CD2-CG2 3.96Å; F51-I102 HydrophobicContact CZ-CD1 4.31Å; L92-I102 WeakPolarHBondContact O-CG1 3.38Å; G94-I102 WeakPolarHBondContact CA-O 3.24Å; G94-I102 PolarHBondContact N-O 3.49Å; L95-I102 HydrophobicContact CB-CD1 3.99Å; L95-I102 HydrophobicContact CB-CG1 4.01Å; L95-I102 HydrophobicContact CD2-CD1 4.3Å; L95-I102 PolarHBondContact O-N 2.86Å; L97-I102 HydrophobicContact CB-CG2 4.21Å; L97-I102 HydrophobicContact CD1-CD1 4.34Å; L97-I102 HydrophobicContact CD1-CG2 3.77Å; L97-I102 HydrophobicContact CG-CG2 3.91Å; I102-V104 HydrophobicContact CD1-CG2 4.31Å; I102-V104 HydrophobicContact CG1-CG2 4.36Å
103K89.8Confident79.9Confident103 Ų10370.2 Ų70.245%0.44839%0.394SS..EExtended strand (participates in β ladder)trans-114.6114.9173.4-176.2175.1-178.7175.30109.5V35 N36 Y37 N93V35-K103 WeakPolarHBondContact CA-O 3.18Å; N36-K103 HydrophobicContact CB-CB 4.48Å; N36-K103 PolarHBondContact N-O 2.8Å; N36-K103 PolarHBondContact O-N 3.38Å; Y37-K103 HydrophobicContact CD2-CB 3.82Å; Y37-K103 HydrophobicContact CE2-CB 3.99Å; N93-K103 WeakPolarHBondContact OD1-CA 3.26Å
104V91.6Very high78.6Confident0 Ų067.9 Ų67.90%038%0.381CS..EExtended strand (participates in β ladder)trans-99.3136.1174.8-170.90000108.1L33 V35 F51 I89 L92 N93 I102L33-V104 HydrophobicContact CB-CG1 4.39Å; L33-V104 HydrophobicContact CD1-CG1 3.76Å; V35-V104 HydrophobicContact CG1-CG2 4.13Å; V35-V104 HydrophobicContact CG2-CG1 4.41Å; V35-V104 HydrophobicContact CG2-CG2 4.38Å; F51-V104 HydrophobicContact CE1-CG1 4.09Å; F51-V104 HydrophobicContact CE1-CG2 3.92Å; F51-V104 HydrophobicContact CZ-CG2 3.79Å; I89-V104 HydrophobicContact CG1-CG1 3.91Å; L92-V104 HydrophobicContact CB-CG2 4Å; N93-V104 HydrophobicContact CB-CB 4.03Å; N93-V104 PolarHBondContact OD1-N 3.37Å; N93-V104 VanDerWaalsContact OD1-N 3.07Å; N93-V104 PolarHBondContact OD1-O 2.85Å; I102-V104 HydrophobicContact CD1-CG2 4.31Å; I102-V104 HydrophobicContact CG1-CG2 4.36Å
105S88.8Confident77.4Confident38 Ų3872.9 Ų72.927%0.26639%0.387SS..EExtended strand (participates in β ladder)trans-158.1157.3178.3-59.70000109.2L33 I34 A107L33-S105 CarbonylContact C-O 3.59Å; L33-S105 WeakPolarHBondContact CA-O 3.31Å; I34-S105 PolarHBondContact N-O 3.06Å; I34-S105 PolarHBondContact O-N 2.58Å; I34-S105 VanDerWaalsContact O-N 3.1Å; S105-A107 PolarHBondContact O-N 3.47Å
106Y89.4Confident76.4Confident93 Ų9373.7 Ų73.737%0.36539%0.391SS..EExtended strand (participates in β ladder)trans-52.8128.1171.5-64.3-71.6000111.4K30 L33 D86 I89K30-Y106 HydrophobicContact CB-CE1 4.31Å; K30-Y106 WeakPolarHBondContact O-CD1 3.47Å; K30-Y106 WeakPolarHBondContact O-CE1 3.42Å; L33-Y106 HydrophobicContact CD2-CD1 3.77Å; L33-Y106 HydrophobicContact CD2-CE1 4.16Å; L33-Y106 HydrophobicContact CD2-CG 4.43Å; D86-Y106 WeakPolarHBondContact CB-OH 3.17Å; D86-Y106 PolarHBondContact OD2-OH 2.64Å; I89-Y106 HydrophobicContact CD1-CD1 3.79Å; I89-Y106 HydrophobicContact CD1-CD2 3.52Å; I89-Y106 HydrophobicContact CD1-CE1 3.59Å; I89-Y106 HydrophobicContact CD1-CE2 3.3Å; I89-Y106 HydrophobicContact CD1-CG 3.76Å
107A81.8Confident76.1Confident5 Ų566.4 Ų66.44%0.04136%0.359CS..PPolyproline II helixtrans-72.7142.517300000109.6N32 I34 F76 S105N32-A107 HydrophobicContact CB-CB 4.06Å; N32-A107 PolarHBondContact O-N 3.14Å; N32-A107 VanDerWaalsContact OD1-CB 3.26Å; N32-A107 WeakPolarHBondContact OD1-CB 3.41Å; I34-A107 HydrophobicContact CB-CB 4.1Å; I34-A107 HydrophobicContact CG2-CB 4.49Å; F76-A107 HydrophobicContact CD1-CB 4Å; F76-A107 HydrophobicContact CE1-CB 4.24Å; S105-A107 PolarHBondContact O-N 3.47Å
108R74Confident76.3Confident115 Ų11566.5 Ų66.543%0.43436%0.36SS..PPolyproline II helixtrans-94138.4170.4-60-170.1-171.7-178.99.1109.3S110 D166R108-S110 PolarHBondContact O-N 2.98Å; R108-D166 VanDerWaalsContact CD-OD1 3.32Å; R108-D166 WeakPolarHBondContact CD-OD1 3.35Å; R108-D166 IonicContact CZ-OD1 3.65Å; R108-D166 IonicContact NE-OD1 3.89Å; R108-D166 VanDerWaalsContact NH1-CG 3.26Å; R108-D166 IonicContact NH1-OD1 2.67Å; R108-D166 PolarHBondContact NH1-OD1 3.29Å; R108-D166 IonicContact NH1-OD2 3.93Å
109P66.3Low76.7Confident83 Ų8361 Ų6154%0.53933%0.334SS..PPolyproline II helixtrans-55.1133.9177.123-33.6000109.8S111 I114P109-S111 PolarHBondContact O-N 3.46Å; P109-I114 WeakPolarHBondContact O-CD1 3.24Å
110S58.3Low77.1Confident78 Ų7858 Ų5855%0.54531%0.309SS..  trans-81.552.9-163.5-162.70000114.3R108 R115R108-S110 PolarHBondContact O-N 2.98Å; S110-R115 PolarHBondContact O-NH2 3.15Å; S110-R115 PolarHBondContact OG-NE 3.27Å; S110-R115 PolarHBondContact OG-NH2 3.46Å
111S57.6Low77.3Confident57 Ų5754.8 Ų54.840%0.39930%0.295SS..  trans-55.7144.6176.1-59.10000111.8P109 S113 I114P109-S111 PolarHBondContact O-N 3.46Å; S111-S113 WeakPolarHBondContact CB-OG 3.41Å; S111-S113 PolarHBondContact O-N 3.04Å; S111-S113 VanDerWaalsContact O-N 3.16Å; S111-I114 WeakPolarHBondContact O-CB 3.5Å; S111-I114 PolarHBondContact O-N 3.33Å
112A55.3Low77.3Confident83 Ų8352 Ų5269%0.68628%0.279SS*.G310 helixtrans-56.8-33.6-178.800000112.6I114 R115A112-I114 PolarHBondContact O-N 3.47Å; A112-I114 VanDerWaalsContact O-N 3.08Å; A112-R115 PolarHBondContact O-N 2.87Å
113S57.9Low77Confident60 Ų6052.7 Ų52.742%0.4229%0.286SS..G310 helixtrans-59.4-12.8175.148.30000115.8S111 R168S111-S113 WeakPolarHBondContact CB-OG 3.41Å; S111-S113 PolarHBondContact O-N 3.04Å; S111-S113 VanDerWaalsContact O-N 3.16Å; S113-R168 WeakPolarHBondContact O-CB 3.34Å; S113-R168 PolarHBondContact O-N 2.73Å
114I64.5Low76.7Confident26 Ų2648.2 Ų48.213%0.13327%0.267CS..G310 helixtrans-104-10-175.6-47.5174.6000111.7P109 S111 A112 R164 D166P109-I114 WeakPolarHBondContact O-CD1 3.24Å; S111-I114 WeakPolarHBondContact O-CB 3.5Å; S111-I114 PolarHBondContact O-N 3.33Å; A112-I114 PolarHBondContact O-N 3.47Å; A112-I114 VanDerWaalsContact O-N 3.08Å; I114-R164 PolarHBondContact O-NH2 2.97Å; I114-D166 WeakPolarHBondContact CG2-O 3.2Å
115R62Low76.3Confident149 Ų14948.8 Ų48.856%0.56227%0.271SS*.SBendtrans-82.8-23.4-170-64.2-170.6175.8-157.5-3.3114.3S110 A112S110-R115 PolarHBondContact O-NH2 3.15Å; S110-R115 PolarHBondContact OG-NE 3.27Å; S110-R115 PolarHBondContact OG-NH2 3.46Å; A112-R115 PolarHBondContact O-N 2.87Å
116D68.1Low75.9Confident77 Ų7754.4 Ų54.441%0.41229%0.291SS..SBendtrans-119.516.6178.2-62-57.3000113.6N118 R168 F194D116-N118 PolarHBondContact O-N 3.34Å; D116-R168 VanDerWaalsContact CG-NH1 3.32Å; D116-R168 IonicContact OD2-NH1 3.75Å; D116-R168 PolarHBondContact OD2-NH1 3.14Å; D116-F194 WeakPolarHBondContact O-CD1 3.23Å
117A81.8Confident75.5Confident0 Ų055.9 Ų55.90%031%0.309CS..  trans-7416.6178.300000113.9R164 F165A117-R164 WeakPolarHBondContact O-CA 3.45Å; A117-F165 HydrophobicContact CB-CB 4.29Å; A117-F165 VanDerWaalsContact CB-O 3.25Å; A117-F165 WeakPolarHBondContact CB-O 3.29Å; A117-F165 PolarHBondContact O-N 3.36Å
118N87.9Confident75.5Confident38 Ų3856.9 Ų56.920%0.20331%0.314CS..EExtended strand (participates in β ladder)trans-89.9130.3177.6-60.3-19.1000109.7D116 I163 R164 F194 A195D116-N118 PolarHBondContact O-N 3.34Å; N118-I163 CarbonylContact C-O 3.58Å; N118-I163 WeakPolarHBondContact CA-O 3.5Å; N118-R164 WeakPolarHBondContact OD1-CD 3.23Å; N118-R164 WeakPolarHBondContact OD1-CG 3.45Å; N118-R164 PolarHBondContact OD1-NE 3.29Å; N118-F194 WeakPolarHBondContact O-CA 3.31Å; N118-A195 HydrophobicContact CB-CB 3.86Å; N118-A195 PolarHBondContact O-N 2.8Å
119L89.1Confident76.1Confident0 Ų053.8 Ų53.80%031%0.309CS..EExtended strand (participates in β ladder)trans-113.6143.1173.4-59.5-172.7000111.3F137 F162 I163 F165 A171 A174 I175 V192 K193 F194 A195L119-F137 HydrophobicContact CD1-CE1 4.41Å; L119-F162 WeakPolarHBondContact O-CA 3.49Å; L119-I163 PolarHBondContact N-O 2.82Å; L119-I163 PolarHBondContact O-N 3.47Å; L119-F165 HydrophobicContact CD1-CD2 3.95Å; L119-F165 HydrophobicContact CD1-CE2 3.62Å; L119-F165 HydrophobicContact CG-CD2 4.31Å; L119-F165 HydrophobicContact CG-CE2 4.4Å; L119-A171 HydrophobicContact CD1-CB 4.24Å; L119-A171 WeakPolarHBondContact CD1-O 3.14Å; L119-A171 HydrophobicContact CD2-CB 3.89Å; L119-A171 HydrophobicContact CG-CB 4.03Å; L119-A174 HydrophobicContact CD1-CB 3.95Å; L119-I175 HydrophobicContact CD1-CG1 4.3Å; L119-I175 HydrophobicContact CD2-CD1 3.51Å; L119-I175 HydrophobicContact CD2-CG1 3.69Å; L119-V192 HydrophobicContact CB-CG1 4.32Å; L119-V192 HydrophobicContact CD1-CG1 3.68Å; L119-V192 HydrophobicContact CG-CG1 4.44Å; L119-K193 CarbonylContact C-O 3.57Å; L119-K193 WeakPolarHBondContact CA-O 3.36Å; L119-F194 HydrophobicContact CD2-CD1 3.88Å; L119-F194 HydrophobicContact CD2-CE1 4.17Å; L119-F194 HydrophobicContact CD2-CG 4.47Å; L119-A195 VanDerWaalsContact C-CB 3.43Å
120Y90.3Very high77.1Confident67 Ų6754.3 Ų54.326%0.26330%0.304SS..EExtended strand (participates in β ladder)trans-104.2131.6167.6170.9-82.4000107.4S122 V160 F162 K193Y120-S122 WeakPolarHBondContact CE1-OG 3.46Å; Y120-V160 HydrophobicContact CD2-CG1 4.25Å; Y120-V160 HydrophobicContact CE2-CG1 3.47Å; Y120-V160 VanDerWaalsContact CE2-CG1 3.47Å; Y120-F162 HydrophobicContact CD2-CD1 4.46Å; Y120-F162 AromaticContact CD2-CE1 3.78Å; Y120-F162 HydrophobicContact CD2-CE1 3.78Å; Y120-F162 HydrophobicContact CD2-CE2 4.36Å; Y120-F162 AromaticContact CD2-CZ 3.72Å; Y120-F162 HydrophobicContact CD2-CZ 3.72Å; Y120-F162 HydrophobicContact CE2-CZ 4.23Å; Y120-K193 HydrophobicContact CD1-CD 4.22Å; Y120-K193 HydrophobicContact CD1-CG 3.89Å; Y120-K193 PolarHBondContact N-O 3.27Å; Y120-K193 PolarHBondContact O-N 3.1Å
121V89.5Confident78.4Confident0 Ų057.5 Ų57.50%031%0.308CS..EExtended strand (participates in β ladder)trans-123.8126-176.3-169.70000107.8L124 F137 V160 G161 I163 I190 T191 V192V121-L124 HydrophobicContact CB-CD1 4.14Å; V121-L124 HydrophobicContact CG1-CD1 3.85Å; V121-L124 HydrophobicContact CG1-CD2 3.8Å; V121-L124 HydrophobicContact CG1-CG 3.86Å; V121-F137 HydrophobicContact CB-CZ 4.41Å; V121-F137 HydrophobicContact CG1-CE2 4.19Å; V121-F137 HydrophobicContact CG1-CZ 3.77Å; V121-F137 HydrophobicContact CG2-CE1 4Å; V121-F137 HydrophobicContact CG2-CE2 4.39Å; V121-F137 HydrophobicContact CG2-CZ 3.65Å; V121-V160 CarbonylContact O-C 3.52Å; V121-V160 VanDerWaalsContact O-CA 3.29Å; V121-V160 WeakPolarHBondContact O-CA 3.38Å; V121-G161 PolarHBondContact N-O 3.16Å; V121-G161 PolarHBondContact O-N 3.02Å; V121-I163 HydrophobicContact CG2-CD1 3.83Å; V121-I163 HydrophobicContact CG2-CG1 4.14Å; V121-I190 HydrophobicContact CG1-CG2 3.52Å; V121-T191 WeakPolarHBondContact CA-O 3.42Å; V121-V192 HydrophobicContact CG1-CG2 4.46Å
122S88.3Confident79.9Confident20 Ų2058.1 Ų58.114%0.1431%0.307CS..EExtended strand (participates in β ladder)trans-133.7159.6176.257.60000111.4Y120 G159 I190 T191Y120-S122 WeakPolarHBondContact CE1-OG 3.46Å; S122-G159 CarbonylContact C-O 3.54Å; S122-G159 WeakPolarHBondContact CA-O 3.49Å; S122-I190 CarbonylContact O-C 3.46Å; S122-I190 WeakPolarHBondContact O-CA 3.36Å; S122-T191 PolarHBondContact N-O 2.97Å; S122-T191 PolarHBondContact O-N 3.28Å
123G83.9Confident81.3Confident15 Ų1554.1 Ų54.116%0.15528%0.275CS..SBendtrans83.818.7-172.700000113G159G123-G159 PolarHBondContact N-O 3.4Å
124L85.2Confident82.8Confident8 Ų855.3 Ų55.34%0.04227%0.273CS..  trans-73.2143175.8-65.6160.1000110.5V121 M128 M133 G159 I190V121-L124 HydrophobicContact CB-CD1 4.14Å; V121-L124 HydrophobicContact CG1-CD1 3.85Å; V121-L124 HydrophobicContact CG1-CD2 3.8Å; V121-L124 HydrophobicContact CG1-CG 3.86Å; L124-M128 HydrophobicContact CD2-SD 3.6Å; L124-M133 HydrophobicContact CD1-CE 3.56Å; L124-G159 PolarHBondContact N-O 3.17Å; L124-G159 VanDerWaalsContact O-CA 3.26Å; L124-G159 WeakPolarHBondContact O-CA 3.44Å; L124-I190 HydrophobicContact CD2-CD1 3.84Å; L124-I190 HydrophobicContact CD2-CG1 4.1Å
125P81.6Confident83.9Confident13 Ų1359.9 Ų59.98%0.08429%0.294CS..  trans-55.8143171.3-16.123.8000111.7T127 M128 P183 A186P125-T127 PolarHBondContact O-N 3.3Å; P125-M128 HydrophobicContact CB-CB 4Å; P125-M128 HydrophobicContact CG-CB 3.97Å; P125-M128 HydrophobicContact CG-SD 4.32Å; P125-M128 WeakPolarHBondContact O-CB 3.44Å; P125-M128 PolarHBondContact O-N 2.84Å; P125-P183 HydrophobicContact CG-CG 4.2Å; P125-A186 HydrophobicContact CG-CB 3.92Å
126K81Confident85Confident156 Ų15654.8 Ų54.868%0.67828%0.278SS*.THydrogen-bonded Turntrans-61.9-23.2173.1-69.3-176.3174.7-179.80113I156K126-I156 HydrophobicContact CB-CG2 4.49Å; K126-I156 HydrophobicContact CD-CG2 3.93Å; K126-I156 HydrophobicContact CG-CG2 4.33Å
127T81.2Confident85.9Confident124 Ų12451.1 Ų51.176%0.76126%0.258SS*.THydrogen-bonded Turntrans-85.1-13.5176.646.80000114P125 S129P125-T127 PolarHBondContact O-N 3.3Å; T127-S129 PolarHBondContact O-N 3.31Å
128M82.4Confident86.3Confident26 Ų2654.3 Ų54.313%0.12828%0.28CS..  trans-76.7124.7-175.1-165.1173.6-163.300110.3L124 P125 D132 L136 I148L124-M128 HydrophobicContact CD2-SD 3.6Å; P125-M128 HydrophobicContact CB-CB 4Å; P125-M128 HydrophobicContact CG-CB 3.97Å; P125-M128 HydrophobicContact CG-SD 4.32Å; P125-M128 WeakPolarHBondContact O-CB 3.44Å; P125-M128 PolarHBondContact O-N 2.84Å; M128-D132 HydrophobicContact CE-CB 4.03Å; M128-D132 HydrophobicContact CG-CB 3.83Å; M128-L136 HydrophobicContact CE-CB 4.35Å; M128-L136 HydrophobicContact CE-CD2 3.91Å; M128-I148 WeakPolarHBondContact O-CD1 3.49Å
129S86.4Confident86.3Confident49 Ų4958.8 Ų58.834%0.34330%0.3SS..  trans-84167.5178.280.10000112T127 K131 D132 M133 I148T127-S129 PolarHBondContact O-N 3.31Å; S129-K131 PolarHBondContact O-N 2.84Å; S129-K131 PolarHBondContact OG-N 2.89Å; S129-D132 WeakPolarHBondContact CA-OD2 3.42Å; S129-D132 WeakPolarHBondContact CB-OD2 3.42Å; S129-D132 PolarHBondContact N-OD2 3.21Å; S129-D132 PolarHBondContact O-N 2.9Å; S129-D132 PolarHBondContact OG-N 2.9Å; S129-D132 PolarHBondContact OG-OD2 3.42Å; S129-M133 PolarHBondContact O-N 2.89Å; S129-M133 VanDerWaalsContact O-N 3.14Å; S129-I148 VanDerWaalsContact C-CD1 3.43Å
130Q86.4Confident86.2Confident94 Ų9461.5 Ų61.544%0.43931%0.311SS..Hα-helixtrans-59.5-32.5173179.2176.4-27.500111.8E134 S146 I148Q130-E134 WeakPolarHBondContact O-CB 3.19Å; Q130-E134 PolarHBondContact O-N 2.89Å; Q130-S146 WeakPolarHBondContact CG-OG 3.44Å; Q130-S146 PolarHBondContact NE2-O 2.86Å; Q130-S146 PolarHBondContact NE2-OG 2.74Å; Q130-I148 HydrophobicContact CB-CD1 4.48Å
131K86.8Confident86Confident145 Ų14559.1 Ų59.163%0.6331%0.307SS*.Hα-helixtrans-70.6-41.8178.6-173.2-176.1175.6-171.40111.6S129 M133 E134 Q135S129-K131 PolarHBondContact O-N 2.84Å; S129-K131 PolarHBondContact OG-N 2.89Å; K131-M133 VanDerWaalsContact C-N 3.33Å; K131-M133 PolarHBondContact O-N 3.44Å; K131-E134 PolarHBondContact O-N 2.82Å; K131-Q135 VanDerWaalsContact CE-OE1 3.28Å; K131-Q135 WeakPolarHBondContact O-CG 3.18Å; K131-Q135 PolarHBondContact O-N 3.38Å
132D87.3Confident85.9Confident70 Ų7066.7 Ų66.737%0.37434%0.335SS..Hα-helixtrans-66.4-39.2179.2-46.9-50.2000110.9M128 S129 L136M128-D132 HydrophobicContact CE-CB 4.03Å; M128-D132 HydrophobicContact CG-CB 3.83Å; S129-D132 WeakPolarHBondContact CA-OD2 3.42Å; S129-D132 WeakPolarHBondContact CB-OD2 3.42Å; S129-D132 PolarHBondContact N-OD2 3.21Å; S129-D132 PolarHBondContact O-N 2.9Å; S129-D132 PolarHBondContact OG-N 2.9Å; S129-D132 PolarHBondContact OG-OD2 3.42Å; D132-L136 WeakPolarHBondContact O-CB 3.38Å; D132-L136 PolarHBondContact O-N 3.14Å
133M86.8Confident85.9Confident0 Ų066.9 Ų66.90%034%0.335CS..Hα-helixtrans-59.2-49.1170.1173.1-158.6-73.100111L124 S129 K131 Q135 L136 F137 I148 I163L124-M133 HydrophobicContact CD1-CE 3.56Å; S129-M133 PolarHBondContact O-N 2.89Å; S129-M133 VanDerWaalsContact O-N 3.14Å; K131-M133 VanDerWaalsContact C-N 3.33Å; K131-M133 PolarHBondContact O-N 3.44Å; M133-Q135 VanDerWaalsContact C-N 3.34Å; M133-Q135 PolarHBondContact O-N 2.79Å; M133-L136 PolarHBondContact O-N 3.19Å; M133-F137 HydrophobicContact CG-CD2 4.25Å; M133-F137 WeakPolarHBondContact O-CD2 3.25Å; M133-F137 PolarHBondContact O-N 3.21Å; M133-I148 HydrophobicContact CE-CD1 4.09Å; M133-I148 HydrophobicContact CE-CG1 3.37Å; M133-I163 HydrophobicContact CG-CD1 3.53Å; M133-I163 HydrophobicContact CG-CG1 4.05Å; M133-I163 HydrophobicContact SD-CD1 3.75Å; M133-I163 HydrophobicContact SD-CG1 3.55Å; M133-I163 VanDerWaalsContact SD-CG1 3.55Å
134E88.5Confident85.9Confident84 Ų8469 Ų6939%0.39334%0.342SS..Hα-helixtrans-61.9-42.9-179.1-165.8164.9120.400111.3Q130 K131 F137 S138 I143 S146Q130-E134 WeakPolarHBondContact O-CB 3.19Å; Q130-E134 PolarHBondContact O-N 2.89Å; K131-E134 PolarHBondContact O-N 2.82Å; E134-F137 PolarHBondContact O-N 3.33Å; E134-S138 WeakPolarHBondContact O-CB 3.4Å; E134-S138 PolarHBondContact O-N 3.43Å; E134-I143 HydrophobicContact CB-CD1 4.41Å; E134-I143 HydrophobicContact CG-CB 4.47Å; E134-I143 HydrophobicContact CG-CD1 3.82Å; E134-I143 HydrophobicContact CG-CG2 4.34Å; E134-I143 WeakPolarHBondContact O-CD1 3.49Å; E134-S146 VanDerWaalsContact OE2-CB 3.29Å; E134-S146 WeakPolarHBondContact OE2-CB 3.24Å; E134-S146 PolarHBondContact OE2-OG 3.04Å
135Q87.3Confident85.8Confident122 Ų12272.1 Ų72.157%0.5736%0.361SS*.Hα-helixtrans-63.4-44.1175.3-72.2-175.7-117.400112.8K131 M133 F137K131-Q135 VanDerWaalsContact CE-OE1 3.28Å; K131-Q135 WeakPolarHBondContact O-CG 3.18Å; K131-Q135 PolarHBondContact O-N 3.38Å; M133-Q135 VanDerWaalsContact C-N 3.34Å; M133-Q135 PolarHBondContact O-N 2.79Å; Q135-F137 PolarHBondContact O-N 3.29Å
136L85.9Confident86.1Confident43 Ų4372 Ų7223%0.22536%0.361CS..Hα-helixtrans-63.9-38.1178.8178.663.1000112.8M128 D132 M133 Q139 L178 I190M128-L136 HydrophobicContact CE-CB 4.35Å; M128-L136 HydrophobicContact CE-CD2 3.91Å; D132-L136 WeakPolarHBondContact O-CB 3.38Å; D132-L136 PolarHBondContact O-N 3.14Å; M133-L136 PolarHBondContact O-N 3.19Å; L136-Q139 WeakPolarHBondContact O-CG 3.37Å; L136-L178 HydrophobicContact CD1-CD2 4.08Å; L136-L178 HydrophobicContact CG-CD1 4.4Å; L136-L178 HydrophobicContact CG-CD2 4.19Å; L136-I190 HydrophobicContact CD2-CD1 4.1Å
137F87.4Confident86.4Confident0 Ų072.7 Ų72.70%036%0.359CS..Hα-helixtrans-88.6-24.5-177.1-81.2-104000113.4L119 V121 M133 E134 Q135 Q139 Y140 I143 I163 F165 A174 L178 V192L119-F137 HydrophobicContact CD1-CE1 4.41Å; V121-F137 HydrophobicContact CB-CZ 4.41Å; V121-F137 HydrophobicContact CG1-CE2 4.19Å; V121-F137 HydrophobicContact CG1-CZ 3.77Å; V121-F137 HydrophobicContact CG2-CE1 4Å; V121-F137 HydrophobicContact CG2-CE2 4.39Å; V121-F137 HydrophobicContact CG2-CZ 3.65Å; M133-F137 HydrophobicContact CG-CD2 4.25Å; M133-F137 WeakPolarHBondContact O-CD2 3.25Å; M133-F137 PolarHBondContact O-N 3.21Å; E134-F137 PolarHBondContact O-N 3.33Å; Q135-F137 PolarHBondContact O-N 3.29Å; F137-Q139 PolarHBondContact O-N 3.03Å; F137-Q139 VanDerWaalsContact O-N 3.15Å; F137-Y140 PolarHBondContact O-N 3.48Å; F137-Y140 VanDerWaalsContact O-N 3.1Å; F137-I143 HydrophobicContact CB-CD1 3.72Å; F137-I163 HydrophobicContact CB-CD1 3.8Å; F137-I163 HydrophobicContact CD1-CD1 3.41Å; F137-I163 VanDerWaalsContact CD1-CD1 3.41Å; F137-I163 HydrophobicContact CD2-CD1 3.41Å; F137-I163 VanDerWaalsContact CD2-CD1 3.41Å; F137-I163 HydrophobicContact CE1-CD1 3.7Å; F137-I163 HydrophobicContact CE2-CD1 3.7Å; F137-I163 HydrophobicContact CG-CD1 3.24Å; F137-I163 HydrophobicContact CZ-CD1 3.84Å; F137-F165 HydrophobicContact CB-CZ 3.99Å; F137-F165 HydrophobicContact CD1-CE2 4.12Å; F137-F165 HydrophobicContact CD1-CZ 4.12Å; F137-F165 WeakPolarHBondContact O-CE1 3.19Å; F137-F165 WeakPolarHBondContact O-CZ 3.17Å; F137-A174 HydrophobicContact CD1-CB 4.27Å; F137-L178 HydrophobicContact CD1-CD1 3.44Å; F137-L178 VanDerWaalsContact CD1-CD1 3.44Å; F137-L178 HydrophobicContact CD2-CD1 3.75Å; F137-L178 HydrophobicContact CE1-CD1 3.39Å; F137-L178 HydrophobicContact CE2-CD1 3.71Å; F137-L178 HydrophobicContact CG-CD1 3.64Å; F137-L178 HydrophobicContact CZ-CB 4.48Å; F137-L178 HydrophobicContact CZ-CD1 3.53Å; F137-V192 HydrophobicContact CE1-CG1 3.87Å; F137-V192 HydrophobicContact CE1-CG2 3.96Å; F137-V192 HydrophobicContact CZ-CG1 4.39Å; F137-V192 HydrophobicContact CZ-CG2 3.73Å
138S88.8Confident86.8Confident66 Ų6667.9 Ų67.946%0.46233%0.329SS..Hα-helixtrans-63.2-18.8179.9-172.60000113.5E134 Y140 G141E134-S138 WeakPolarHBondContact O-CB 3.4Å; E134-S138 PolarHBondContact O-N 3.43Å; S138-Y140 PolarHBondContact O-N 3.33Å; S138-G141 PolarHBondContact O-N 3.26Å
139Q88.1Confident86.9Confident132 Ų13269.5 Ų69.562%0.61734%0.337SS*.THydrogen-bonded Turntrans-67.1-17.5174.178.3-174.510.900114L136 F137L136-Q139 WeakPolarHBondContact O-CG 3.37Å; F137-Q139 PolarHBondContact O-N 3.03Å; F137-Q139 VanDerWaalsContact O-N 3.15Å
140Y87.7Confident86.9Confident57 Ų5771 Ų7122%0.22435%0.345CS..THydrogen-bonded Turntrans-98.8-7.2178.6-61.2-84.7000113.8F137 S138 E170 E173 A174 L178F137-Y140 PolarHBondContact O-N 3.48Å; F137-Y140 VanDerWaalsContact O-N 3.1Å; S138-Y140 PolarHBondContact O-N 3.33Å; Y140-E170 WeakPolarHBondContact O-CB 3.5Å; Y140-E173 HydrophobicContact CD1-CB 4.49Å; Y140-A174 HydrophobicContact CD2-CB 4.16Å; Y140-A174 HydrophobicContact CG-CB 3.91Å; Y140-L178 HydrophobicContact CD2-CD1 3.92Å; Y140-L178 HydrophobicContact CD2-CG 4.23Å; Y140-L178 HydrophobicContact CE2-CD1 3.53Å; Y140-L178 HydrophobicContact CE2-CD2 3.67Å; Y140-L178 HydrophobicContact CE2-CG 3.42Å; Y140-L178 VanDerWaalsContact CE2-CG 3.42Å
141G86.1Confident86.8Confident17 Ų1768.3 Ų68.318%0.17533%0.333CS..SBendtrans151179.7-178.900000114.6S138 I143 F165 E170S138-G141 PolarHBondContact O-N 3.26Å; G141-I143 PolarHBondContact O-N 3.32Å; G141-F165 WeakPolarHBondContact O-CE1 3.39Å; G141-E170 VanDerWaalsContact CA-OE1 3.24Å; G141-E170 WeakPolarHBondContact CA-OE1 3.43Å
142R86.8Confident86.3Confident159 Ų15970.7 Ų70.760%0.635%0.346SS*.  trans-79.2112.2-171.6-175.1173.7-68.5-146.5-0.5112F165 D166 E170R142-F165 CarbonylContact O-C 3.55Å; R142-F165 WeakPolarHBondContact O-CA 3.27Å; R142-D166 HydrophobicContact CB-CB 4.26Å; R142-D166 PolarHBondContact O-N 2.83Å; R142-E170 PolarHBondContact N-OE1 3.16Å
143I89.1Confident86Confident25 Ų2573.8 Ų73.813%0.12837%0.368CS..EExtended strand (participates in β ladder)trans-72.5139171.8-62.2170.2000110.6E134 F137 G141 I163 R164 F165E134-I143 HydrophobicContact CB-CD1 4.41Å; E134-I143 HydrophobicContact CG-CB 4.47Å; E134-I143 HydrophobicContact CG-CD1 3.82Å; E134-I143 HydrophobicContact CG-CG2 4.34Å; E134-I143 WeakPolarHBondContact O-CD1 3.49Å; F137-I143 HydrophobicContact CB-CD1 3.72Å; G141-I143 PolarHBondContact O-N 3.32Å; I143-I163 HydrophobicContact CD1-CG2 4.05Å; I143-I163 HydrophobicContact CG1-CG2 3.93Å; I143-I163 HydrophobicContact CG2-CG2 4.06Å; I143-R164 CarbonylContact C-O 3.59Å; I143-R164 WeakPolarHBondContact CA-O 3.4Å; I143-F165 HydrophobicContact CG1-CD1 4.39Å; I143-F165 HydrophobicContact CG1-CE1 4.07Å; I143-F165 HydrophobicContact CG1-CZ 4.25Å
144I83.8Confident85.7Confident60 Ų6077.9 Ų77.931%0.30839%0.393SS..EExtended strand (participates in β ladder)trans-102.3-43.7177.3-50.9-60000110.7R164 F165 D166I144-R164 HydrophobicContact CB-CB 4.29Å; I144-R164 HydrophobicContact CB-CG 4.08Å; I144-R164 HydrophobicContact CG1-CG 4.27Å; I144-R164 PolarHBondContact N-O 3.26Å; I144-F165 WeakPolarHBondContact CG1-O 3.31Å; I144-D166 HydrophobicContact CD1-CB 3.93Å; I144-D166 HydrophobicContact CG1-CB 4.47Å
145T83.2Confident85.2Confident73 Ų7376.4 Ų76.445%0.44840%0.4SS..EExtended strand (participates in β ladder)trans-149.4123.5175560000110.1I163 R164T145-I163 CarbonylContact O-C 3.48Å; T145-I163 WeakPolarHBondContact O-CA 3.47Å; T145-R164 PolarHBondContact O-N 3.13Å; T145-R164 WeakPolarHBondContact OG1-CB 3.26Å
146S87.4Confident84.8Confident11 Ų1174.6 Ų74.68%0.07739%0.393CS..EExtended strand (participates in β ladder)trans-94.2152.3160.157.40000109.7Q130 E134 F162Q130-S146 WeakPolarHBondContact CG-OG 3.44Å; Q130-S146 PolarHBondContact NE2-O 2.86Å; Q130-S146 PolarHBondContact NE2-OG 2.74Å; E134-S146 VanDerWaalsContact OE2-CB 3.29Å; E134-S146 WeakPolarHBondContact OE2-CB 3.24Å; E134-S146 PolarHBondContact OE2-OG 3.04Å; S146-F162 CarbonylContact C-O 3.51Å
147R87.1Confident84.6Confident170 Ų17073 Ų7364%0.64239%0.386SS*.EExtended strand (participates in β ladder)trans-160.6130.6168.8-177173-177.8176.73.1111.4G161 F162R147-G161 CarbonylContact O-C 3.54Å; R147-G161 WeakPolarHBondContact O-CA 3.48Å; R147-F162 PolarHBondContact N-O 2.86Å; R147-F162 PolarHBondContact O-N 3.36Å
148I88.8Confident84.4Confident23 Ų2380.5 Ų80.512%0.11841%0.414CS..EExtended strand (participates in β ladder)trans-90.1144.1165.9-71178000110.4M128 S129 Q130 M133 V150 S157M128-I148 WeakPolarHBondContact O-CD1 3.49Å; S129-I148 VanDerWaalsContact C-CD1 3.43Å; Q130-I148 HydrophobicContact CB-CD1 4.48Å; M133-I148 HydrophobicContact CE-CD1 4.09Å; M133-I148 HydrophobicContact CE-CG1 3.37Å; I148-V150 HydrophobicContact CG2-CG1 4.34Å; I148-S157 WeakPolarHBondContact CG2-OG 3.34Å
149L85.9Confident84.2Confident59 Ų5977.8 Ų77.831%0.30940%0.397SS..EExtended strand (participates in β ladder)trans-87.8101.8164.1-93.859.8000108.9R158 V160 F162L149-R158 WeakPolarHBondContact O-CB 3.47Å; L149-R158 PolarHBondContact O-N 2.87Å; L149-V160 HydrophobicContact CD2-CG1 4.32Å; L149-V160 PolarHBondContact N-O 3.08Å; L149-F162 HydrophobicContact CD1-CD2 3.57Å; L149-F162 HydrophobicContact CD1-CE2 3.57Å; L149-F162 HydrophobicContact CD2-CE2 3.97Å; L149-F162 HydrophobicContact CG-CE2 4.44Å
150V85.6Confident84.2Confident82 Ų8272.6 Ų72.650%0.49737%0.374SS..EExtended strand (participates in β ladder)trans-78.6151.4160.8-64.40000110I148 I156I148-V150 HydrophobicContact CG2-CG1 4.34Å; V150-I156 WeakPolarHBondContact CA-O 3.18Å
151D84Confident84.3Confident36 Ų3669.9 Ų69.919%0.19336%0.363CS..  trans-76.3132.1170-166.8-87.5000110.3V153 T154 G155 I156 R158D151-V153 VanDerWaalsContact C-N 3.3Å; D151-V153 PolarHBondContact O-N 2.81Å; D151-V153 PolarHBondContact OD1-N 2.88Å; D151-T154 WeakPolarHBondContact CB-OG1 3.48Å; D151-T154 PolarHBondContact OD1-N 2.82Å; D151-G155 VanDerWaalsContact O-CA 3.24Å; D151-G155 WeakPolarHBondContact O-CA 3.33Å; D151-G155 PolarHBondContact O-N 2.96Å; D151-I156 PolarHBondContact N-O 2.89Å; D151-R158 HydrophobicContact CB-CG 3.84Å; D151-R158 IonicContact OD2-CZ 2.68Å; D151-R158 IonicContact OD2-NH1 2.72Å; D151-R158 PolarHBondContact OD2-NH1 3.01Å
152Q76.9Confident84.5Confident195 Ų19572.7 Ų72.791%0.91137%0.371SS*.THydrogen-bonded Turntrans-73.5-20-174.1-69.9-176.9-9.700113.7
153V81Confident84.7Confident136 Ų13665.2 Ų65.282%0.82434%0.343SS*.THydrogen-bonded Turntrans-89.9-37.4-178.3-174.70000111.1D151D151-V153 VanDerWaalsContact C-N 3.3Å; D151-V153 PolarHBondContact O-N 2.81Å; D151-V153 PolarHBondContact OD1-N 2.88Å
154T80.1Confident84.6Confident86 Ų8668.2 Ų68.253%0.52835%0.352SS..THydrogen-bonded Turntrans-108-12.6-174.859.60000114.5D151 I156D151-T154 WeakPolarHBondContact CB-OG1 3.48Å; D151-T154 PolarHBondContact OD1-N 2.82Å; T154-I156 PolarHBondContact O-N 2.73Å; T154-I156 VanDerWaalsContact O-N 3.13Å
155G77.3Confident84.8Confident53 Ų5365.3 Ų65.355%0.54634%0.338SS..  trans71.7-7.5-173.200000114.8D151D151-G155 VanDerWaalsContact O-CA 3.24Å; D151-G155 WeakPolarHBondContact O-CA 3.33Å; D151-G155 PolarHBondContact O-N 2.96Å
156I79.4Confident84.8Confident83 Ų8363.1 Ų63.143%0.42632%0.323SS..  trans-75138.6-174-59.4173000110.3K126 V150 D151 T154 R158K126-I156 HydrophobicContact CB-CG2 4.49Å; K126-I156 HydrophobicContact CD-CG2 3.93Å; K126-I156 HydrophobicContact CG-CG2 4.33Å; V150-I156 WeakPolarHBondContact CA-O 3.18Å; D151-I156 PolarHBondContact N-O 2.89Å; T154-I156 PolarHBondContact O-N 2.73Å; T154-I156 VanDerWaalsContact O-N 3.13Å; I156-R158 PolarHBondContact O-N 3Å
157S83.1Confident84.6Confident11 Ų1167.6 Ų67.68%0.07734%0.341CS..EExtended strand (participates in β ladder)trans-55.6127.3170.5174.20000111.1I148 G159I148-S157 WeakPolarHBondContact CG2-OG 3.34Å; S157-G159 PolarHBondContact O-N 2.84Å; S157-G159 VanDerWaalsContact O-N 3.16Å; S157-G159 PolarHBondContact OG-N 3.39Å
158R83.1Confident84.5Confident156 Ų15664 Ų6459%0.58933%0.328SS*.EExtended strand (participates in β ladder)trans-77.410.2177.6-63.9179.662118.7-6113.1L149 D151 I156 V160L149-R158 WeakPolarHBondContact O-CB 3.47Å; L149-R158 PolarHBondContact O-N 2.87Å; D151-R158 HydrophobicContact CB-CG 3.84Å; D151-R158 IonicContact OD2-CZ 2.68Å; D151-R158 IonicContact OD2-NH1 2.72Å; D151-R158 PolarHBondContact OD2-NH1 3.01Å; I156-R158 PolarHBondContact O-N 3Å; R158-V160 PolarHBondContact O-N 3.24Å
159G83.5Confident84.5Confident9 Ų967.9 Ų67.99%0.09335%0.348CS..EExtended strand (participates in β ladder)trans65.518.8-174.900000113.6S122 G123 L124 S157S122-G159 CarbonylContact C-O 3.54Å; S122-G159 WeakPolarHBondContact CA-O 3.49Å; G123-G159 PolarHBondContact N-O 3.4Å; L124-G159 PolarHBondContact N-O 3.17Å; L124-G159 VanDerWaalsContact O-CA 3.26Å; L124-G159 WeakPolarHBondContact O-CA 3.44Å; S157-G159 PolarHBondContact O-N 2.84Å; S157-G159 VanDerWaalsContact O-N 3.16Å; S157-G159 PolarHBondContact OG-N 3.39Å
160V88Confident84.6Confident23 Ų2366.4 Ų66.414%0.13934%0.34CS..EExtended strand (participates in β ladder)trans-128.8138.6-175.1173.50000110.1Y120 V121 L149 R158Y120-V160 HydrophobicContact CD2-CG1 4.25Å; Y120-V160 HydrophobicContact CE2-CG1 3.47Å; Y120-V160 VanDerWaalsContact CE2-CG1 3.47Å; V121-V160 CarbonylContact O-C 3.52Å; V121-V160 VanDerWaalsContact O-CA 3.29Å; V121-V160 WeakPolarHBondContact O-CA 3.38Å; L149-V160 HydrophobicContact CD2-CG1 4.32Å; L149-V160 PolarHBondContact N-O 3.08Å; R158-V160 PolarHBondContact O-N 3.24Å
161G90Very high84.8Confident0 Ų062.5 Ų62.50%032%0.316CS..EExtended strand (participates in β ladder)trans-143.6166176.900000113.3V121 R147V121-G161 PolarHBondContact N-O 3.16Å; V121-G161 PolarHBondContact O-N 3.02Å; R147-G161 CarbonylContact O-C 3.54Å; R147-G161 WeakPolarHBondContact O-CA 3.48Å
162F91.1Very high85Confident76 Ų7665.7 Ų65.733%0.33333%0.33SS..EExtended strand (participates in β ladder)trans-125.5135.7172.1-67.8-94.6000108.9L119 Y120 S146 R147 L149 A195L119-F162 WeakPolarHBondContact O-CA 3.49Å; Y120-F162 HydrophobicContact CD2-CD1 4.46Å; Y120-F162 AromaticContact CD2-CE1 3.78Å; Y120-F162 HydrophobicContact CD2-CE1 3.78Å; Y120-F162 HydrophobicContact CD2-CE2 4.36Å; Y120-F162 AromaticContact CD2-CZ 3.72Å; Y120-F162 HydrophobicContact CD2-CZ 3.72Å; Y120-F162 HydrophobicContact CE2-CZ 4.23Å; S146-F162 CarbonylContact C-O 3.51Å; R147-F162 PolarHBondContact N-O 2.86Å; R147-F162 PolarHBondContact O-N 3.36Å; L149-F162 HydrophobicContact CD1-CD2 3.57Å; L149-F162 HydrophobicContact CD1-CE2 3.57Å; L149-F162 HydrophobicContact CD2-CE2 3.97Å; L149-F162 HydrophobicContact CG-CE2 4.44Å; F162-A195 HydrophobicContact CD1-CB 3.77Å; F162-A195 HydrophobicContact CE1-CB 3.99Å
163I90.4Very high85.6Confident2 Ų261.3 Ų61.31%0.0131%0.31CS..EExtended strand (participates in β ladder)trans-128.3139177.3-57.3176.1000107.2N118 L119 V121 M133 F137 I143 T145 F165N118-I163 CarbonylContact C-O 3.58Å; N118-I163 WeakPolarHBondContact CA-O 3.5Å; L119-I163 PolarHBondContact N-O 2.82Å; L119-I163 PolarHBondContact O-N 3.47Å; V121-I163 HydrophobicContact CG2-CD1 3.83Å; V121-I163 HydrophobicContact CG2-CG1 4.14Å; M133-I163 HydrophobicContact CG-CD1 3.53Å; M133-I163 HydrophobicContact CG-CG1 4.05Å; M133-I163 HydrophobicContact SD-CD1 3.75Å; M133-I163 HydrophobicContact SD-CG1 3.55Å; M133-I163 VanDerWaalsContact SD-CG1 3.55Å; F137-I163 HydrophobicContact CB-CD1 3.8Å; F137-I163 HydrophobicContact CD1-CD1 3.41Å; F137-I163 VanDerWaalsContact CD1-CD1 3.41Å; F137-I163 HydrophobicContact CD2-CD1 3.41Å; F137-I163 VanDerWaalsContact CD2-CD1 3.41Å; F137-I163 HydrophobicContact CE1-CD1 3.7Å; F137-I163 HydrophobicContact CE2-CD1 3.7Å; F137-I163 HydrophobicContact CG-CD1 3.24Å; F137-I163 HydrophobicContact CZ-CD1 3.84Å; I143-I163 HydrophobicContact CD1-CG2 4.05Å; I143-I163 HydrophobicContact CG1-CG2 3.93Å; I143-I163 HydrophobicContact CG2-CG2 4.06Å; T145-I163 CarbonylContact O-C 3.48Å; T145-I163 WeakPolarHBondContact O-CA 3.47Å; I163-F165 HydrophobicContact CG2-CD2 4.09Å; I163-F165 HydrophobicContact CG2-CE2 3.78Å; I163-F165 HydrophobicContact CG2-CZ 4.44Å
164R87.4Confident86Confident88 Ų8854.8 Ų54.833%0.33227%0.27SS..EExtended strand (participates in β ladder)trans-117.3123.1170.2-178.8172-169.5177.35.9109I114 A117 N118 I143 I144 T145I114-R164 PolarHBondContact O-NH2 2.97Å; A117-R164 WeakPolarHBondContact O-CA 3.45Å; N118-R164 WeakPolarHBondContact OD1-CD 3.23Å; N118-R164 WeakPolarHBondContact OD1-CG 3.45Å; N118-R164 PolarHBondContact OD1-NE 3.29Å; I143-R164 CarbonylContact C-O 3.59Å; I143-R164 WeakPolarHBondContact CA-O 3.4Å; I144-R164 HydrophobicContact CB-CB 4.29Å; I144-R164 HydrophobicContact CB-CG 4.08Å; I144-R164 HydrophobicContact CG1-CG 4.27Å; I144-R164 PolarHBondContact N-O 3.26Å; T145-R164 PolarHBondContact O-N 3.13Å; T145-R164 WeakPolarHBondContact OG1-CB 3.26Å
165F88.3Confident86.4Confident0 Ų052.1 Ų52.10%025%0.252CS..EExtended strand (participates in β ladder)trans-87.1167.4169.2-76.6-91.7000111.2A117 L119 F137 G141 R142 I143 I144 I163 E170 A171 A174A117-F165 HydrophobicContact CB-CB 4.29Å; A117-F165 VanDerWaalsContact CB-O 3.25Å; A117-F165 WeakPolarHBondContact CB-O 3.29Å; A117-F165 PolarHBondContact O-N 3.36Å; L119-F165 HydrophobicContact CD1-CD2 3.95Å; L119-F165 HydrophobicContact CD1-CE2 3.62Å; L119-F165 HydrophobicContact CG-CD2 4.31Å; L119-F165 HydrophobicContact CG-CE2 4.4Å; F137-F165 HydrophobicContact CB-CZ 3.99Å; F137-F165 HydrophobicContact CD1-CE2 4.12Å; F137-F165 HydrophobicContact CD1-CZ 4.12Å; F137-F165 WeakPolarHBondContact O-CE1 3.19Å; F137-F165 WeakPolarHBondContact O-CZ 3.17Å; G141-F165 WeakPolarHBondContact O-CE1 3.39Å; R142-F165 CarbonylContact O-C 3.55Å; R142-F165 WeakPolarHBondContact O-CA 3.27Å; I143-F165 HydrophobicContact CG1-CD1 4.39Å; I143-F165 HydrophobicContact CG1-CE1 4.07Å; I143-F165 HydrophobicContact CG1-CZ 4.25Å; I144-F165 WeakPolarHBondContact CG1-O 3.31Å; I163-F165 HydrophobicContact CG2-CD2 4.09Å; I163-F165 HydrophobicContact CG2-CE2 3.78Å; I163-F165 HydrophobicContact CG2-CZ 4.44Å; F165-E170 HydrophobicContact CB-CB 4.19Å; F165-E170 HydrophobicContact CD1-CB 3.67Å; F165-E170 HydrophobicContact CE1-CB 4.35Å; F165-E170 HydrophobicContact CG-CB 4.12Å; F165-A171 HydrophobicContact CB-CB 4.16Å; F165-A171 HydrophobicContact CD2-CB 3.97Å; F165-A171 HydrophobicContact CG-CB 4.27Å; F165-A174 HydrophobicContact CE2-CB 3.85Å; F165-A174 HydrophobicContact CZ-CB 3.72Å
166D82Confident86.9Confident26 Ų2658.5 Ų58.514%0.13927%0.265CS..SBendtrans-68.7-43.7171.3-172.656.3000110.4R108 I114 R142 I144 E170R108-D166 VanDerWaalsContact CD-OD1 3.32Å; R108-D166 WeakPolarHBondContact CD-OD1 3.35Å; R108-D166 IonicContact CZ-OD1 3.65Å; R108-D166 IonicContact NE-OD1 3.89Å; R108-D166 VanDerWaalsContact NH1-CG 3.26Å; R108-D166 IonicContact NH1-OD1 2.67Å; R108-D166 PolarHBondContact NH1-OD1 3.29Å; R108-D166 IonicContact NH1-OD2 3.93Å; I114-D166 WeakPolarHBondContact CG2-O 3.2Å; R142-D166 HydrophobicContact CB-CB 4.26Å; R142-D166 PolarHBondContact O-N 2.83Å; I144-D166 HydrophobicContact CD1-CB 3.93Å; I144-D166 HydrophobicContact CG1-CB 4.47Å; D166-E170 WeakPolarHBondContact CB-OE2 3.34Å; D166-E170 PolarHBondContact N-OE2 2.86Å
167K84.3Confident87.1Confident105 Ų10556.3 Ų56.346%0.45726%0.263SS..SBendtrans-123.4144.3-173.8-59.6164.2-170.1168.50111.4N169 E170 A171K167-N169 PolarHBondContact O-N 3.29Å; K167-E170 HydrophobicContact CB-CG 4.1Å; K167-E170 PolarHBondContact N-OE2 3.23Å; K167-E170 PolarHBondContact O-N 2.92Å; K167-A171 PolarHBondContact O-N 2.98Å
168R84.6Confident87.2Confident95 Ų9555.8 Ų55.836%0.35826%0.259SS..Hα-helixtrans-58.7-31172.8-171.1178.4-179.41348.8112.8S113 D116 A171 E172 F194S113-R168 WeakPolarHBondContact O-CB 3.34Å; S113-R168 PolarHBondContact O-N 2.73Å; D116-R168 VanDerWaalsContact CG-NH1 3.32Å; D116-R168 IonicContact OD2-NH1 3.75Å; D116-R168 PolarHBondContact OD2-NH1 3.14Å; R168-A171 WeakPolarHBondContact O-CB 3.32Å; R168-A171 PolarHBondContact O-N 3.01Å; R168-E172 WeakPolarHBondContact O-CB 2.99Å; R168-E172 PolarHBondContact O-N 3.31Å; R168-F194 HydrophobicContact CG-CE1 3.97Å; R168-F194 HydrophobicContact CG-CZ 4.16Å
169N87.6Confident87.4Confident104 Ų10452.1 Ų52.156%0.55625%0.251SS*.Hα-helixtrans-63.6-50.8177.7-154.588.7000111.7K167 A171 E172 E173K167-N169 PolarHBondContact O-N 3.29Å; N169-A171 PolarHBondContact O-N 2.99Å; N169-E172 PolarHBondContact O-N 2.84Å; N169-E173 PolarHBondContact ND2-OE2 2.89Å; N169-E173 WeakPolarHBondContact O-CG 3.49Å; N169-E173 PolarHBondContact O-N 3.23Å
170E89.4Confident87.2Confident28 Ų2854 Ų5413%0.13127%0.27CS..Hα-helixtrans-55.2-42.2174.3-60.3170133.500111Y140 G141 R142 F165 D166 K167 E172 E173 A174Y140-E170 WeakPolarHBondContact O-CB 3.5Å; G141-E170 VanDerWaalsContact CA-OE1 3.24Å; G141-E170 WeakPolarHBondContact CA-OE1 3.43Å; R142-E170 PolarHBondContact N-OE1 3.16Å; F165-E170 HydrophobicContact CB-CB 4.19Å; F165-E170 HydrophobicContact CD1-CB 3.67Å; F165-E170 HydrophobicContact CE1-CB 4.35Å; F165-E170 HydrophobicContact CG-CB 4.12Å; D166-E170 WeakPolarHBondContact CB-OE2 3.34Å; D166-E170 PolarHBondContact N-OE2 2.86Å; K167-E170 HydrophobicContact CB-CG 4.1Å; K167-E170 PolarHBondContact N-OE2 3.23Å; K167-E170 PolarHBondContact O-N 2.92Å; E170-E172 PolarHBondContact O-N 3.32Å; E170-E173 PolarHBondContact O-N 2.88Å; E170-A174 VanDerWaalsContact O-CB 3.27Å; E170-A174 WeakPolarHBondContact O-CB 3.5Å; E170-A174 PolarHBondContact O-N 3.49Å
171A88.4Confident86.7Confident0 Ų057.2 Ų57.20%028%0.284CS..Hα-helixtrans-65.7-35.1177.300000113L119 F165 K167 R168 N169 I175 F194L119-A171 HydrophobicContact CD1-CB 4.24Å; L119-A171 WeakPolarHBondContact CD1-O 3.14Å; L119-A171 HydrophobicContact CD2-CB 3.89Å; L119-A171 HydrophobicContact CG-CB 4.03Å; F165-A171 HydrophobicContact CB-CB 4.16Å; F165-A171 HydrophobicContact CD2-CB 3.97Å; F165-A171 HydrophobicContact CG-CB 4.27Å; K167-A171 PolarHBondContact O-N 2.98Å; R168-A171 WeakPolarHBondContact O-CB 3.32Å; R168-A171 PolarHBondContact O-N 3.01Å; N169-A171 PolarHBondContact O-N 2.99Å; A171-I175 VanDerWaalsContact O-CG1 3.31Å; A171-I175 WeakPolarHBondContact O-CG1 3.37Å; A171-I175 PolarHBondContact O-N 2.9Å; A171-F194 HydrophobicContact CB-CE1 4.2Å
172E88.9Confident85.8Confident104 Ų10464.1 Ų64.149%0.48631%0.314SS..Hα-helixtrans-75.5-38.3177.8-165.7163.8115.300112.1R168 N169 E170 I175 K176 F194R168-E172 WeakPolarHBondContact O-CB 2.99Å; R168-E172 PolarHBondContact O-N 3.31Å; N169-E172 PolarHBondContact O-N 2.84Å; E170-E172 PolarHBondContact O-N 3.32Å; E172-I175 WeakPolarHBondContact O-CB 3.38Å; E172-I175 PolarHBondContact O-N 3.04Å; E172-K176 WeakPolarHBondContact O-CB 3.38Å; E172-K176 PolarHBondContact O-N 3Å; E172-F194 HydrophobicContact CB-CZ 4.19Å; E172-F194 HydrophobicContact CG-CZ 4.45Å
173E89.4Confident84.6Confident102 Ų10261.6 Ų61.648%0.47731%0.305SS..Hα-helixtrans-66-39.5171.6-67.8-176.395.500111.5Y140 N169 E170 K176 G177Y140-E173 HydrophobicContact CD1-CB 4.49Å; N169-E173 PolarHBondContact ND2-OE2 2.89Å; N169-E173 WeakPolarHBondContact O-CG 3.49Å; N169-E173 PolarHBondContact O-N 3.23Å; E170-E173 PolarHBondContact O-N 2.88Å; E173-K176 PolarHBondContact O-N 2.98Å; E173-G177 PolarHBondContact O-N 3.07Å
174A89.6Confident82.9Confident0 Ų070.3 Ų70.30%035%0.351CS..Hα-helixtrans-62.8-40.4171.500000112.6L119 F137 Y140 F165 E170 L178L119-A174 HydrophobicContact CD1-CB 3.95Å; F137-A174 HydrophobicContact CD1-CB 4.27Å; Y140-A174 HydrophobicContact CD2-CB 4.16Å; Y140-A174 HydrophobicContact CG-CB 3.91Å; F165-A174 HydrophobicContact CE2-CB 3.85Å; F165-A174 HydrophobicContact CZ-CB 3.72Å; E170-A174 VanDerWaalsContact O-CB 3.27Å; E170-A174 WeakPolarHBondContact O-CB 3.5Å; E170-A174 PolarHBondContact O-N 3.49Å; A174-L178 VanDerWaalsContact O-CB 3.32Å; A174-L178 WeakPolarHBondContact O-CB 3.31Å; A174-L178 PolarHBondContact O-N 3.26Å
175I89.3Confident81.5Confident29 Ų2969.4 Ų69.415%0.14937%0.368CS..Hα-helixtrans-58.8-52.5169.9-72.2161.4000109.7L119 A171 E172 G177 N179 V192 F194L119-I175 HydrophobicContact CD1-CG1 4.3Å; L119-I175 HydrophobicContact CD2-CD1 3.51Å; L119-I175 HydrophobicContact CD2-CG1 3.69Å; A171-I175 VanDerWaalsContact O-CG1 3.31Å; A171-I175 WeakPolarHBondContact O-CG1 3.37Å; A171-I175 PolarHBondContact O-N 2.9Å; E172-I175 WeakPolarHBondContact O-CB 3.38Å; E172-I175 PolarHBondContact O-N 3.04Å; I175-G177 VanDerWaalsContact C-N 3.3Å; I175-G177 PolarHBondContact O-N 2.91Å; I175-N179 HydrophobicContact CG2-CB 4.35Å; I175-N179 WeakPolarHBondContact O-CB 3.26Å; I175-N179 PolarHBondContact O-N 2.76Å; I175-V192 HydrophobicContact CB-CG1 4.47Å; I175-V192 HydrophobicContact CG1-CB 4.4Å; I175-V192 HydrophobicContact CG1-CG1 3.79Å; I175-F194 HydrophobicContact CD1-CD1 4.1Å; I175-F194 HydrophobicContact CD1-CD2 3.61Å; I175-F194 HydrophobicContact CD1-CE1 3.98Å; I175-F194 HydrophobicContact CD1-CE2 3.47Å; I175-F194 VanDerWaalsContact CD1-CE2 3.47Å; I175-F194 HydrophobicContact CD1-CG 3.93Å; I175-F194 HydrophobicContact CD1-CZ 3.67Å
176K87.4Confident80.3Confident188 Ų18870.3 Ų70.382%0.81738%0.376SS*.Hα-helixtrans-63.8-32.3-174.2-170.7179.2178.5-175.20113.2E172 E173E172-K176 WeakPolarHBondContact O-CB 3.38Å; E172-K176 PolarHBondContact O-N 3Å; E173-K176 PolarHBondContact O-N 2.98Å
177G84.1Confident79.3Confident36 Ų3673.8 Ų73.837%0.37141%0.409SS..Hα-helixtrans-86.9-37.418000000115.2E173 I175E173-G177 PolarHBondContact O-N 3.07Å; I175-G177 VanDerWaalsContact C-N 3.3Å; I175-G177 PolarHBondContact O-N 2.91Å
178L85Confident78.5Confident0 Ų075.2 Ų75.20%042%0.417CS..Hα-helixtrans-104.8-19.3-171.6-62.5175.1000114.3L136 F137 Y140 A174 G180 Q181 V192L136-L178 HydrophobicContact CD1-CD2 4.08Å; L136-L178 HydrophobicContact CG-CD1 4.4Å; L136-L178 HydrophobicContact CG-CD2 4.19Å; F137-L178 HydrophobicContact CD1-CD1 3.44Å; F137-L178 VanDerWaalsContact CD1-CD1 3.44Å; F137-L178 HydrophobicContact CD2-CD1 3.75Å; F137-L178 HydrophobicContact CE1-CD1 3.39Å; F137-L178 HydrophobicContact CE2-CD1 3.71Å; F137-L178 HydrophobicContact CG-CD1 3.64Å; F137-L178 HydrophobicContact CZ-CB 4.48Å; F137-L178 HydrophobicContact CZ-CD1 3.53Å; Y140-L178 HydrophobicContact CD2-CD1 3.92Å; Y140-L178 HydrophobicContact CD2-CG 4.23Å; Y140-L178 HydrophobicContact CE2-CD1 3.53Å; Y140-L178 HydrophobicContact CE2-CD2 3.67Å; Y140-L178 HydrophobicContact CE2-CG 3.42Å; Y140-L178 VanDerWaalsContact CE2-CG 3.42Å; A174-L178 VanDerWaalsContact O-CB 3.32Å; A174-L178 WeakPolarHBondContact O-CB 3.31Å; A174-L178 PolarHBondContact O-N 3.26Å; L178-G180 PolarHBondContact O-N 2.88Å; L178-Q181 WeakPolarHBondContact O-CB 3.29Å; L178-Q181 PolarHBondContact O-N 2.72Å; L178-V192 HydrophobicContact CB-CG2 3.79Å
179N85.8Confident78.4Confident80 Ų8073.1 Ų73.143%0.42842%0.415SS..THydrogen-bonded Turntrans-69.6116.9-179.3-176.457.4000111.5I175 T191 V192I175-N179 HydrophobicContact CG2-CB 4.35Å; I175-N179 WeakPolarHBondContact O-CB 3.26Å; I175-N179 PolarHBondContact O-N 2.76Å; N179-T191 WeakPolarHBondContact OD1-CA 3.5Å; N179-V192 HydrophobicContact CB-CB 4.1Å; N179-V192 PolarHBondContact OD1-N 3.27Å; N179-V192 PolarHBondContact OD1-O 2.81Å
180G79.3Confident78.3Confident48 Ų4868.2 Ų68.250%0.49539%0.389SS..THydrogen-bonded Turntrans95.5-8-173.500000114L178 P189 I190L178-G180 PolarHBondContact O-N 2.88Å; G180-P189 WeakPolarHBondContact O-CB 3.44Å; G180-I190 WeakPolarHBondContact CA-O 3.46Å; G180-I190 PolarHBondContact N-O 3.07Å
181Q77.8Confident78.2Confident91 Ų9169.1 Ų69.143%0.42540%0.397SS..  trans-74.4133.6179.9-162.5-179.12800111L178 P183 I190L178-Q181 WeakPolarHBondContact O-CB 3.29Å; L178-Q181 PolarHBondContact O-N 2.72Å; Q181-P183 VanDerWaalsContact O-CD 3.31Å; Q181-P183 WeakPolarHBondContact O-CD 3.49Å; Q181-I190 PolarHBondContact O-N 3.08Å
182K72.4Confident78.3Confident145 Ų14569.2 Ų69.263%0.6340%0.397SS*.  trans-87.9109.3169.5-68.1-175.5178.6-171.70109.2P189K182-P189 HydrophobicContact CG-CB 3.99Å
183P64.4Low78.3Confident23 Ų2368.8 Ų68.815%0.14939%0.394CS..  trans-70155.2171.734.6-40.1000109.8P125 Q181 G185 A186 I190P125-P183 HydrophobicContact CG-CG 4.2Å; Q181-P183 VanDerWaalsContact O-CD 3.31Å; Q181-P183 WeakPolarHBondContact O-CD 3.49Å; P183-G185 PolarHBondContact O-N 3.45Å; P183-A186 HydrophobicContact CG-CB 3.56Å; P183-A186 PolarHBondContact O-N 3.02Å; P183-A186 VanDerWaalsContact O-N 3.14Å; P183-I190 HydrophobicContact CB-CD1 4.06Å; P183-I190 HydrophobicContact CG-CD1 3.61Å; P183-I190 HydrophobicContact CG-CG1 3.88Å
184L56.1Low78.3Confident185 Ų18567.3 Ų67.397%0.96939%0.386SS*.THydrogen-bonded Turntrans-59.1111.9174-70.7158.5000109.6
185G58.2Low77.9Confident68 Ų6868.1 Ų68.170%0.70139%0.392SS*.THydrogen-bonded Turntrans103.30.2-179.800000116.7P183P183-G185 PolarHBondContact O-N 3.45Å
186A62.1Low77Confident20 Ų2070.6 Ų70.617%0.16541%0.406CS..  trans-92.1140.5168.200000112.3P125 P183 E188P125-A186 HydrophobicContact CG-CB 3.92Å; P183-A186 HydrophobicContact CG-CB 3.56Å; P183-A186 PolarHBondContact O-N 3.02Å; P183-A186 VanDerWaalsContact O-N 3.14Å; A186-E188 WeakPolarHBondContact CB-O 3.44Å
187A61.3Low75.6Confident99 Ų9964.7 Ų64.782%0.81838%0.384SS*.SBendtrans-75.9-29.9168.200000112.2
188E67.5Low74Confident134 Ų13468.1 Ų68.163%0.62640%0.399SS*.SBendtrans-111.2154-179.1-63.1-164112.600111.3A186A186-E188 WeakPolarHBondContact CB-O 3.44Å
189P81.6Confident72.3Confident51 Ų5172 Ų7233%0.33143%0.426SS..PPolyproline II helixtrans-68.4142170.429.7-34000111.1G180 K182 T191G180-P189 WeakPolarHBondContact O-CB 3.44Å; K182-P189 HydrophobicContact CG-CB 3.99Å; P189-T191 PolarHBondContact O-N 3.08Å
190I86.7Confident70.6Confident1 Ų174.8 Ų74.81%0.00544%0.437CS..PPolyproline II helixtrans-62.5128.8168.6-70.5170000108.4V121 S122 L124 L136 G180 Q181 P183 V192V121-I190 HydrophobicContact CG1-CG2 3.52Å; S122-I190 CarbonylContact O-C 3.46Å; S122-I190 WeakPolarHBondContact O-CA 3.36Å; L124-I190 HydrophobicContact CD2-CD1 3.84Å; L124-I190 HydrophobicContact CD2-CG1 4.1Å; L136-I190 HydrophobicContact CD2-CD1 4.1Å; G180-I190 WeakPolarHBondContact CA-O 3.46Å; G180-I190 PolarHBondContact N-O 3.07Å; Q181-I190 PolarHBondContact O-N 3.08Å; P183-I190 HydrophobicContact CB-CD1 4.06Å; P183-I190 HydrophobicContact CG-CD1 3.61Å; P183-I190 HydrophobicContact CG-CG1 3.88Å; I190-V192 HydrophobicContact CG2-CG2 3.56Å
191T87.1Confident69Low47 Ų4776.5 Ų76.529%0.28843%0.431SS..EExtended strand (participates in β ladder)trans-98.7124.9164.7-54.20000108.9V121 S122 N179 P189 K193V121-T191 WeakPolarHBondContact CA-O 3.42Å; S122-T191 PolarHBondContact N-O 2.97Å; S122-T191 PolarHBondContact O-N 3.28Å; N179-T191 WeakPolarHBondContact OD1-CA 3.5Å; P189-T191 PolarHBondContact O-N 3.08Å; T191-K193 HydrophobicContact CG2-CD 3.98Å
192V90.1Very high67.5Low2 Ų277.6 Ų77.61%0.01244%0.444CS..EExtended strand (participates in β ladder)trans-117.3128.4175.3-168.90000109L119 V121 F137 I175 L178 N179 I190L119-V192 HydrophobicContact CB-CG1 4.32Å; L119-V192 HydrophobicContact CD1-CG1 3.68Å; L119-V192 HydrophobicContact CG-CG1 4.44Å; V121-V192 HydrophobicContact CG1-CG2 4.46Å; F137-V192 HydrophobicContact CE1-CG1 3.87Å; F137-V192 HydrophobicContact CE1-CG2 3.96Å; F137-V192 HydrophobicContact CZ-CG1 4.39Å; F137-V192 HydrophobicContact CZ-CG2 3.73Å; I175-V192 HydrophobicContact CB-CG1 4.47Å; I175-V192 HydrophobicContact CG1-CB 4.4Å; I175-V192 HydrophobicContact CG1-CG1 3.79Å; L178-V192 HydrophobicContact CB-CG2 3.79Å; N179-V192 HydrophobicContact CB-CB 4.1Å; N179-V192 PolarHBondContact OD1-N 3.27Å; N179-V192 PolarHBondContact OD1-O 2.81Å; I190-V192 HydrophobicContact CG2-CG2 3.56Å
193K88.8Confident66.3Low96 Ų9673.5 Ų73.542%0.41744%0.443SS..EExtended strand (participates in β ladder)trans-154156.3-176.850.7-164.4167-165.80110.2L119 Y120 T191 A195L119-K193 CarbonylContact C-O 3.57Å; L119-K193 WeakPolarHBondContact CA-O 3.36Å; Y120-K193 HydrophobicContact CD1-CD 4.22Å; Y120-K193 HydrophobicContact CD1-CG 3.89Å; Y120-K193 PolarHBondContact N-O 3.27Å; Y120-K193 PolarHBondContact O-N 3.1Å; T191-K193 HydrophobicContact CG2-CD 3.98Å; K193-A195 PolarHBondContact O-N 2.75Å
194F88.9Confident65.3Low71 Ų7180 Ų8031%0.31147%0.471SS..EExtended strand (participates in β ladder)trans-57.1128.3176.9-71.9-71.7000111D116 N118 L119 R168 A171 E172 I175 N196D116-F194 WeakPolarHBondContact O-CD1 3.23Å; N118-F194 WeakPolarHBondContact O-CA 3.31Å; L119-F194 HydrophobicContact CD2-CD1 3.88Å; L119-F194 HydrophobicContact CD2-CE1 4.17Å; L119-F194 HydrophobicContact CD2-CG 4.47Å; R168-F194 HydrophobicContact CG-CE1 3.97Å; R168-F194 HydrophobicContact CG-CZ 4.16Å; A171-F194 HydrophobicContact CB-CE1 4.2Å; E172-F194 HydrophobicContact CB-CZ 4.19Å; E172-F194 HydrophobicContact CG-CZ 4.45Å; I175-F194 HydrophobicContact CD1-CD1 4.1Å; I175-F194 HydrophobicContact CD1-CD2 3.61Å; I175-F194 HydrophobicContact CD1-CE1 3.98Å; I175-F194 HydrophobicContact CD1-CE2 3.47Å; I175-F194 VanDerWaalsContact CD1-CE2 3.47Å; I175-F194 HydrophobicContact CD1-CG 3.93Å; I175-F194 HydrophobicContact CD1-CZ 3.67Å; F194-N196 PolarHBondContact O-N 3.34Å
195A81.4Confident64.6Low16 Ų1675 Ų7513%0.13246%0.456CS..  trans-74.7118.3179.800000110.6N118 L119 F162 K193 N197N118-A195 HydrophobicContact CB-CB 3.86Å; N118-A195 PolarHBondContact O-N 2.8Å; L119-A195 VanDerWaalsContact C-CB 3.43Å; F162-A195 HydrophobicContact CD1-CB 3.77Å; F162-A195 HydrophobicContact CE1-CB 3.99Å; K193-A195 PolarHBondContact O-N 2.75Å; A195-N197 PolarHBondContact O-N 3.24Å; A195-N197 VanDerWaalsContact O-N 3.08Å
196N70.3Confident64.2Low81 Ų8178.9 Ų78.943%0.43346%0.46SS..  trans-68.8105.3171.5-176.2100.5000110.9F194 P198 K201F194-N196 PolarHBondContact O-N 3.34Å; N196-P198 WeakPolarHBondContact O-CD 3.37Å; N196-K201 WeakPolarHBondContact OD1-CD 3.5Å; N196-K201 WeakPolarHBondContact OD1-CE 3.33Å; N196-K201 PolarHBondContact OD1-NZ 2.87Å
197N58.9Low63.3Low65 Ų6584.4 Ų84.435%0.34849%0.486SS..  trans-65.9121.3171.8-175.1-5.9000110.5A195 S199 Q200A195-N197 PolarHBondContact O-N 3.24Å; A195-N197 VanDerWaalsContact O-N 3.08Å; N197-S199 PolarHBondContact O-N 2.87Å; N197-S199 WeakPolarHBondContact OD1-CB 3.5Å; N197-S199 PolarHBondContact OD1-N 2.68Å; N197-S199 PolarHBondContact OD1-OG 3.06Å; N197-Q200 HydrophobicContact CB-CB 4.45Å; N197-Q200 HydrophobicContact CB-CG 4.05Å; N197-Q200 PolarHBondContact O-N 2.89Å
198P50.5Low62.3Low108 Ų10885.4 Ų85.470%0.70148%0.482SS*.G310 helixtrans-58.9-33.2176.823.7-33.9000112.6N196 Q200 K201N196-P198 WeakPolarHBondContact O-CD 3.37Å; P198-Q200 PolarHBondContact O-N 3.32Å; P198-Q200 VanDerWaalsContact O-N 3.08Å; P198-K201 PolarHBondContact O-N 2.79Å
199S48.3Very low60.9Low81 Ų8187.5 Ų87.557%0.56649%0.492SS*.G310 helixtrans-65.1-10176.8-52.60000114.5N197N197-S199 PolarHBondContact O-N 2.87Å; N197-S199 WeakPolarHBondContact OD1-CB 3.5Å; N197-S199 PolarHBondContact OD1-N 2.68Å; N197-S199 PolarHBondContact OD1-OG 3.06Å
200Q52.1Low58.8Low138 Ų13891.5 Ų91.565%0.64551%0.51SS*.G310 helixtrans-102-10.8174.5-64.7-76.637.700112.8N197 P198 T202N197-Q200 HydrophobicContact CB-CB 4.45Å; N197-Q200 HydrophobicContact CB-CG 4.05Å; N197-Q200 PolarHBondContact O-N 2.89Å; P198-Q200 PolarHBondContact O-N 3.32Å; P198-Q200 VanDerWaalsContact O-N 3.08Å; Q200-T202 PolarHBondContact O-N 2.78Å
201K44.9Very low56.3Low85 Ų85101.7 Ų101.737%0.3755%0.55SS..THydrogen-bonded Turntrans-106.454.1-163.3-128.7-161.9-163.9148.40116.2N196 P198 Q204 A205N196-K201 WeakPolarHBondContact OD1-CD 3.5Å; N196-K201 WeakPolarHBondContact OD1-CE 3.33Å; N196-K201 PolarHBondContact OD1-NZ 2.87Å; P198-K201 PolarHBondContact O-N 2.79Å; K201-Q204 WeakPolarHBondContact CE-O 3.02Å; K201-A205 HydrophobicContact CD-CB 4.26Å
202T46.4Very low53.9Low114 Ų114107.8 Ų107.870%0.69958%0.575SS**THydrogen-bonded Turntrans-84.9-14.3156.8-35.30000112.2Q200Q200-T202 PolarHBondContact O-N 2.78Å
203G47.1Very low51.4Low59 Ų59114 Ų11461%0.60861%0.613SS**SBendtrans-117.9-17.3-165.400000119.8
204Q42.3Very low49Very low159 Ų159114.5 Ų114.574%0.74364%0.635SS**  trans-134.430.4-166.9-67.8-167.2-0.900116K201K201-Q204 WeakPolarHBondContact CE-O 3.02Å
205A42.8Very low46.5Very low79 Ų79115.7 Ų115.765%0.65366%0.658SS**SBendtrans-79.8-21.7177.100000114.4K201K201-A205 HydrophobicContact CD-CB 4.26Å
206L48.7Very low44.2Very low150 Ų150126.3 Ų126.379%0.78570%0.695SS**SBendtrans-97.6-13.3-161-105.2153.4000116.4
207L44.7Very low42.4Very low136 Ų136132.3 Ų132.371%0.71271%0.711SS**SBendtrans-89.2-21.2-166.3-16067.7000114.8Q209L207-Q209 VanDerWaalsContact C-N 3.31Å; L207-Q209 PolarHBondContact O-N 2.89Å
208T39.5Very low41Very low120 Ų120138.3 Ų138.374%0.73673%0.731SS**G310 helixtrans-75.9-14.4-172-44.70000114
209Q37.8Very low40Very low178 Ų178140 Ų14083%0.83274%0.739SS**G310 helixtrans-92.23.8-171.1-158.7168.3-17.700114.7L207L207-Q209 VanDerWaalsContact C-N 3.31Å; L207-Q209 PolarHBondContact O-N 2.89Å
210L36.7Very low39.2Very low136 Ų136139.5 Ų139.571%0.71275%0.747SS**G310 helixtrans-107.5-5.7-177-70.6172.2000115.2Q212L210-Q212 PolarHBondContact O-N 3.22Å
211Y35Very low38.7Very low215 Ų215139 Ų13984%0.84376%0.756SS**SBendtrans-99.127.1-169.5-104.8-79000115.6
212Q37.6Very low38Very low174 Ų174142.8 Ų142.881%0.81378%0.779SS**SBendtrans-1192.7-173.1-71.2-179.3-3200115.6L210L210-Q212 PolarHBondContact O-N 3.22Å
213T36.5Very low37.3Very low133 Ų133144 Ų14482%0.81678%0.776SS**SBendtrans-135.352.4-174.158.10000114.1
214A37.8Very low36.6Very low106 Ų106148.4 Ų148.488%0.87678%0.781SS**  trans-150.244.2-179.200000115.7
215A38.1Very low35.9Very low96 Ų96149.2 Ų149.279%0.79379%0.785SS**  trans-151.3138.5168.900000113.3
216R33.1Very low35.1Very low240 Ų240150.7 Ų150.791%0.90679%0.786SS**  trans108.674.8172.3-62.8-71.4178.5-177.4-2.3117.9
217R31.4Very low34.5Very low206 Ų206151.2 Ų151.278%0.77778%0.784SS**  trans-151.1153.4141.9-66.3-164.3175.1-160.4-3.3108
218Y30.4Very low33.6Very low192 Ų192154 Ų15475%0.75379%0.785SS**  cis-99.2-144.1-10.9-77.8-99.8000108.4
219T29.8Very low33.2Very low142 Ų142156.9 Ų156.987%0.87179%0.788SS**  cis-148.3170.94.6510000110
220G29.8Very low32.8Very low72 Ų72152.7 Ų152.774%0.74278%0.778SS**  trans137.9135.2172.500000113.5
221P42Very low32.5Very low128 Ų128153 Ų15383%0.83179%0.785SS**  trans-115.4167.1-169.141.7-34.7000117.1
222L30.5Very low32.4Very low163 Ų163150.4 Ų150.485%0.85378%0.784SS**  trans83.7129.5148.1-154.671.7000120.3
223H31Very low33Very low140 Ų140147.4 Ų147.465%0.64878%0.78SS**  135.7109.4127.9-160.981.2000116.9
224H33.8Very low32.7Very low152 Ų152145.6 Ų145.670%0.70477%0.773SS**  trans65.3159.9158.8-74.9-156.7000118.7
225Q27.9Very low32.4Very low176 Ų176148.7 Ų148.782%0.82277%0.774SS**  cis-140.61613.6-153.6172.51.800113.8
226T26Very low32Very low109 Ų109147.4 Ų147.467%0.66977%0.77SS**  trans-53.7146.2178.9-46.30000118.4
227Q35.3Very low31.9Very low161 Ų161146.2 Ų146.275%0.75277%0.771SS**  trans160.4147.3136.6-81.1-31.7-35.800109.3
228R26.2Very low31.8Very low195 Ų195139.8 Ų139.874%0.73677%0.769SS**  cis-169.5120.8-16.9-173.1-178.9176.7-167.1-0.2111.4
229F30.2Very low32.4Very low181 Ų181136.6 Ų136.679%0.79477%0.772SS**  trans59.9163.3157.8-77.3-128.7000117.8
230S29.4Very low32.5Very low90 Ų90136.8 Ų136.863%0.62977%0.768SS**  cis-169.8178.9-30.1-90.60000109.2
231V30.3Very low33.4Very low142 Ų142139 Ų13986%0.86177%0.769SS**  trans86.6101.4165-167.40000118.1
232I34.2Very low32.8Very low161 Ų161139.9 Ų139.983%0.82677%0.766SS**  trans-106.2171.6136.514.7173.5000106.4
233P49.3Very low32.8Very low110 Ų110137.9 Ų137.971%0.71477%0.766SS**  cis-136.9-178.91337.5-16.7000116.2
234S30.5Very low32.9Very low96 Ų96135.9 Ų135.967%0.67177%0.768SS**  143.9148.1102.1-141.20000118.6
235L30.3Very low32.9Very low170 Ų170134.4 Ų134.489%0.8977%0.774SS**  trans69.7144.4146-81159.3000124
236G31.2Very low33.2Very low69 Ų69133.4 Ų133.471%0.71178%0.775SS**  trans93105.1171.300000113.9
237K31.3Very low33.5Very low216 Ų216135 Ų13594%0.93978%0.784SS**  cis76.9114.833.7-153.1177.4-176.2-178.60113.2
238G27.8Very low33.3Very low71 Ų71134 Ų13473%0.73278%0.783SS**  trans-79.7-157.7-175.400000115.1
239P42.7Very low33.6Very low125 Ų125131.8 Ų131.881%0.81279%0.785SS**  cis-141.6-175.544.542.1-23.7000117.1
240D33.3Very low33.6Very low146 Ų146128.6 Ų128.678%0.78178%0.776SS**  trans-65.1-179.1161.7-45.9-89.6000112.2
241P47.3Very low33.6Very low118 Ų118130.3 Ų130.377%0.76678%0.778SS**  cis-146.7-177.710.945.8-26.5000118.8
242N30.3Very low33.4Very low146 Ų146130 Ų13078%0.78177%0.771SS**  trans68.8107.3142.4-165.639000120.7
243S31.1Very low33.1Very low121 Ų121129.6 Ų129.685%0.84677%0.77SS**  -158.7151.8128.7-160.20000112.1
244S32.7Very low32.2Very low99 Ų99131.7 Ų131.769%0.69278%0.775SS**  trans-101.7145-176.8-52.30000112.1
245S32.7Very low32.2Very low120 Ų120130.9 Ų130.984%0.83977%0.774SS**  trans178.1151.6132.6-82.10000112.7
246N34.2Very low32Very low156 Ų156128.4 Ų128.483%0.83477%0.771SS**  trans-86.5144.3167.1-66.4-67.5000110.4
247T32.3Very low32Very low141 Ų141136.7 Ų136.787%0.86578%0.782SS**  trans-134.7149.1156.1-49.20000108.6
248I32.9Very low31.7Very low142 Ų142129.8 Ų129.873%0.72877%0.773SS**  trans-127.9147.8-168.4-79.5170.6000109
249L32.8Very low31.6Very low147 Ų147132.6 Ų132.677%0.7778%0.775SS**  trans73.5152.7-174.6-59.9153.6000113.4
250D28.8Very low30.9Very low115 Ų115136 Ų13662%0.61578%0.777SS**  cis-144.8152.425.1-117.4-67.7000113.6
251N29Very low30.5Very low125 Ų125139 Ų13967%0.66878%0.778SS**  trans58.5153.8149.3-61.8-34.6000122.3
252L26.6Very low29.5Very low135 Ų135142.2 Ų142.271%0.70778%0.78SS**  cis-159.9165.7-19.3-110.6165.8000110.1
253L28.8Very low29.4Very low153 Ų153140 Ų14080%0.80178%0.775SS**  trans10124.7156.3-68.5163.5000119.6
254N30.6Very low29.5Very low155 Ų155140 Ų14083%0.82977%0.773SS**  -168.9162.186.1-162.110.8000111.7
255A29.8Very low29.4Very low78 Ų78143.3 Ų143.365%0.64578%0.781SS**  trans-103.1134.8-176.700000113.4
256S25.1Very low29.1Very low118 Ų118143.4 Ų143.483%0.82578%0.777SS**  trans-178.697.3146.2-84.90000111.4
257Y31.2Very low29Very low244 Ų244142.7 Ų142.796%0.95777%0.771SS**  trans-106.993172.3-81.8-69.6000112.2
258G25.6Very low28.6Very low71 Ų71142.2 Ų142.273%0.73276%0.764SS**  trans-90.5118166.900000112.3
259V27Very low28.3Very low129 Ų129140.4 Ų140.478%0.78276%0.764SS**  trans35.5104.8145.8-168.70000119
260K26.6Very low28.1Very low197 Ų197141.2 Ų141.286%0.85777%0.765SS**  trans175.2117.7138.3-88.8140-164.2172.70107.8
261R25.2Very low28Very low210 Ų210140.9 Ų140.979%0.79277%0.768SS**  86.7140.666.3-94.1-161.8175.2-114-0.3114.5
262F27.2Very low27.9Very low184 Ų184140 Ų14081%0.80777%0.771SS**  trans75.2140.9-178.5-56.8-73.5000114.7
263S26.8Very low28Very low99 Ų99142 Ų14269%0.69278%0.782SS**  cis-150.6160.1-5.1-99.50000110.9
264P34Very low27.8Very low122 Ų122139.4 Ų139.479%0.79278%0.783SS**  trans-82.2152.417934.1-35.2000113.2
265I29.5Very low27.7Very low168 Ų168135.7 Ų135.786%0.86278%0.781SS**  trans-124.4150.1168.7-81.9-179.9000110.7
266T27.2Very low27.6Very low123 Ų123138.3 Ų138.376%0.75579%0.789SS**  trans-50.3158-166.9-9.50000119.6
267I31.3Very low27.8Very low140 Ų140140 Ų14072%0.71879%0.788SS**  trans-28.5154.5152.3-140.5156.9000114.1
268D24.5Very low27.8Very low131 Ų131134.1 Ų134.170%0.70177%0.773SS**  -165.5-176.651-141.6-44.3000114.4
269S26.2Very low28.1Very low105 Ų105137.1 Ų137.173%0.73478%0.777SS**  trans82.4145.1167.1-51.70000118.9
270M28.1Very low28.4Very low163 Ų163132.9 Ų132.980%0.80376%0.76SS**  cis-164.4151.1-27.2-162.7167.7179.100111.1
271T27.1Very low29Very low109 Ų109129.2 Ų129.267%0.66976%0.756SS**  trans58.6107157.536.80000122.7
272S27.9Very low29.9Very low105 Ų105126.4 Ų126.473%0.73476%0.762SS**  52120.3127.166.20000122.9
273L28.3Very low30.9Very low177 Ų177121.6 Ų121.693%0.92776%0.764SS**  -145.7140.9111.2-152.373.2000110.5
274A24.6Very low32.6Very low100 Ų100120.7 Ų120.783%0.82676%0.763SS**  trans-96.1145.617500000110.3
275G27.7Very low34.6Very low76 Ų76116.3 Ų116.378%0.78474%0.739SS**  trans178.9-9179.600000121.3
276V27.8Very low37.3Very low134 Ų134112.6 Ų112.681%0.81272%0.715SS**  trans-140.9123.9177.1-95.30000112.7
277N28.9Very low40.3Very low154 Ų154108.4 Ų108.482%0.82469%0.69SS**  trans-97.5102.4178.2-136.3-34.1000108.8
278L31.1Very low43.2Very low120 Ų120101.7 Ų101.763%0.62866%0.656SS**  trans-125.282.2-179-82.1167.3000110.5G280L278-G280 VanDerWaalsContact C-N 3.32Å; L278-G280 PolarHBondContact O-N 3.35Å
279T32Very low46.5Very low134 Ų13498.4 Ų98.482%0.82264%0.635SS**  trans-73.778178.738.90000112.1
280G34.4Very low49.7Very low40 Ų4093.4 Ų93.441%0.41260%0.6SS.*PPolyproline II helixtrans-68.1145.6171.300000112.9L278L278-G280 VanDerWaalsContact C-N 3.32Å; L278-G280 PolarHBondContact O-N 3.35Å
281P38.9Very low52.8Low120 Ų12091 Ų9178%0.77958%0.583SS**PPolyproline II helixtrans-66133.7178.5-20.232.9000112.6G283P281-G283 PolarHBondContact O-N 2.97Å
282T43.5Very low55.8Low151 Ų15188 Ų8893%0.92656%0.563SS**THydrogen-bonded Turntrans-66.2127.9-17940.80000112.6
283G48.4Very low58.8Low82 Ų8283 Ų8385%0.84553%0.528SS*.THydrogen-bonded Turntrans102.41167.700000117.2P281P281-G283 PolarHBondContact O-N 2.97Å
284A62.8Low61.6Low81 Ų8176 Ų7667%0.66949%0.494SS*.SBendtrans-120.4132.6168.600000110.1
285G76.3Confident64.5Low29 Ų2973.5 Ų73.530%0.29947%0.469SS..  trans-66.3167.8-176.200000114.2C287 T333 M334G285-C287 PolarHBondContact O-N 2.79Å; G285-C287 VanDerWaalsContact O-N 3.13Å; G285-T333 WeakPolarHBondContact O-CG2 3.29Å; G285-M334 CarbonylContact C-O 3.56Å; G285-M334 VanDerWaalsContact CA-O 3.3Å; G285-M334 WeakPolarHBondContact CA-O 3.07Å
286W86.1Confident67.1Low91 Ų9176.2 Ų76.235%0.34546%0.461SS..EExtended strand (participates in β ladder)trans-71.2107.8-175.3-60.593.7000110.5T333 M334 Y337 A340 F361W286-T333 WeakPolarHBondContact O-CA 3.47Å; W286-M334 PolarHBondContact N-O 3.47Å; W286-M334 PolarHBondContact O-N 3.03Å; W286-Y337 AromaticContact CD2-CD2 3.79Å; W286-Y337 HydrophobicContact CD2-CD2 3.79Å; W286-Y337 HydrophobicContact CD2-CG 4.45Å; W286-Y337 AromaticContact CE3-CD2 3.61Å; W286-Y337 HydrophobicContact CE3-CD2 3.61Å; W286-Y337 HydrophobicContact CE3-CE2 4.28Å; W286-Y337 AromaticContact CH2-CD2 3.92Å; W286-Y337 HydrophobicContact CH2-CD2 3.92Å; W286-Y337 HydrophobicContact CH2-CG 4.5Å; W286-Y337 HydrophobicContact CZ2-CD2 4.11Å; W286-Y337 HydrophobicContact CZ2-CG 4.35Å; W286-Y337 AromaticContact CZ3-CD2 3.68Å; W286-Y337 HydrophobicContact CZ3-CD2 3.68Å; W286-Y337 HydrophobicContact CZ3-CE2 4.17Å; W286-A340 HydrophobicContact CB-CB 3.98Å; W286-F361 HydrophobicContact CB-CE1 4.35Å
287C90.1Very high69.8Low34 Ų3470.1 Ų70.123%0.2343%0.425CS..EExtended strand (participates in β ladder)trans-86.2118.6-175.7-1650000110.8G285 V332 K362G285-C287 PolarHBondContact O-N 2.79Å; G285-C287 VanDerWaalsContact O-N 3.13Å; C287-V332 CarbonylContact C-O 3.49Å; C287-V332 WeakPolarHBondContact CA-O 3.37Å; C287-K362 HydrophobicContact CB-CB 4.15Å; C287-K362 HydrophobicContact CB-CD 4.06Å; C287-K362 VanDerWaalsContact O-CB 3.23Å; C287-K362 WeakPolarHBondContact O-CB 3.41Å; C287-K362 PolarHBondContact O-N 2.81Å; C287-K362 WeakPolarHBondContact SG-CD 3.47Å
288I93.2Very high72.7Confident0 Ų066.1 Ų66.10%040%0.404CS..EExtended strand (participates in β ladder)trans-98.9135.9175.9-51.6176.5000107.9V290 F306 F331 V332 M334 A340 A343 I344 V359 S360I288-V290 HydrophobicContact CG2-CG2 4.4Å; I288-F306 HydrophobicContact CD1-CD1 3.95Å; I288-F306 HydrophobicContact CD1-CE1 3.63Å; I288-F306 HydrophobicContact CG2-CE1 4.06Å; I288-F306 HydrophobicContact CG2-CZ 4.3Å; I288-F331 WeakPolarHBondContact O-CA 3.5Å; I288-V332 HydrophobicContact CB-CB 4.42Å; I288-V332 PolarHBondContact N-O 2.98Å; I288-V332 PolarHBondContact O-N 3.39Å; I288-M334 HydrophobicContact CD1-CG 4.12Å; I288-M334 HydrophobicContact CD1-SD 3.61Å; I288-A340 HydrophobicContact CD1-CB 3.85Å; I288-A340 HydrophobicContact CG1-CB 4.24Å; I288-A343 HydrophobicContact CD1-CB 4.43Å; I288-I344 HydrophobicContact CD1-CG1 4.31Å; I288-I344 HydrophobicContact CG1-CD1 4.24Å; I288-I344 HydrophobicContact CG1-CG1 4.4Å; I288-I344 HydrophobicContact CG2-CD1 4.31Å; I288-I344 HydrophobicContact CG2-CG1 3.88Å; I288-V359 HydrophobicContact CG2-CG1 3.46Å; I288-V359 VanDerWaalsContact CG2-CG1 3.46Å; I288-S360 CarbonylContact C-O 3.59Å; I288-S360 WeakPolarHBondContact CA-O 3.35Å; I288-S360 WeakPolarHBondContact CG2-O 3.44Å
289F93.8Very high75.5Confident61 Ų6162.9 Ų62.927%0.26839%0.385SS..EExtended strand (participates in β ladder)trans-95.3132.9169.6176.4-121.4000109.1Y291 F329 F331 V359 S360 K362F289-Y291 HydrophobicContact CE1-CD2 4.22Å; F289-Y291 HydrophobicContact CE1-CG 4.26Å; F289-Y291 AromaticContact CZ-CD2 3.74Å; F289-Y291 HydrophobicContact CZ-CD2 3.74Å; F289-Y291 HydrophobicContact CZ-CG 4.21Å; F289-F329 HydrophobicContact CE2-CB 3.95Å; F289-F329 AromaticContact CE2-CD2 3.74Å; F289-F329 HydrophobicContact CE2-CD2 3.74Å; F289-F329 HydrophobicContact CE2-CG 4.12Å; F289-F329 HydrophobicContact CZ-CB 4.29Å; F289-F331 HydrophobicContact CB-CD1 4.49Å; F289-F331 HydrophobicContact CB-CE1 4.46Å; F289-F331 HydrophobicContact CD2-CD1 4.06Å; F289-F331 AromaticContact CD2-CE1 3.55Å; F289-F331 HydrophobicContact CD2-CE1 3.55Å; F289-F331 HydrophobicContact CD2-CZ 4.04Å; F289-F331 HydrophobicContact CE2-CE1 4.25Å; F289-F331 HydrophobicContact CE2-CZ 4.31Å; F289-F331 HydrophobicContact CG-CE1 4.41Å; F289-V359 WeakPolarHBondContact O-CA 3.49Å; F289-S360 PolarHBondContact N-O 3.23Å; F289-S360 PolarHBondContact O-N 3.04Å; F289-S360 VanDerWaalsContact O-N 3.09Å; F289-K362 HydrophobicContact CB-CB 4.43Å
290V93.4Very high78.4Confident0 Ų060.1 Ų60.10%037%0.372CS..EExtended strand (participates in β ladder)trans-122.7122.8177.6-174.50000108.6I288 L293 L302 F306 F329 G330 V332 Q358 V359I288-V290 HydrophobicContact CG2-CG2 4.4Å; V290-L293 HydrophobicContact CG1-CD1 4.33Å; V290-L293 HydrophobicContact CG1-CD2 3.92Å; V290-L293 HydrophobicContact CG1-CG 4.07Å; V290-L302 HydrophobicContact CB-CD2 4.28Å; V290-L302 HydrophobicContact CG1-CD2 3.95Å; V290-L302 HydrophobicContact CG2-CD2 4.18Å; V290-F306 HydrophobicContact CG2-CE2 3.85Å; V290-F306 HydrophobicContact CG2-CZ 3.65Å; V290-F329 CarbonylContact O-C 3.58Å; V290-F329 WeakPolarHBondContact O-CA 3.5Å; V290-F329 WeakPolarHBondContact O-CB 3.45Å; V290-G330 PolarHBondContact N-O 3.34Å; V290-G330 PolarHBondContact O-N 2.83Å; V290-V332 HydrophobicContact CG2-CG2 4.12Å; V290-Q358 WeakPolarHBondContact CA-O 3.2Å; V290-V359 HydrophobicContact CG1-CG2 4.27Å; V290-V359 HydrophobicContact CG2-CG1 4.41Å
291Y92.7Very high81Confident112 Ų11260.4 Ų60.444%0.43937%0.365SS..EExtended strand (participates in β ladder)trans-126.1161.3-174.5-172.8-96.1000111.6F289 L293 G328 F329 Q358F289-Y291 HydrophobicContact CE1-CD2 4.22Å; F289-Y291 HydrophobicContact CE1-CG 4.26Å; F289-Y291 AromaticContact CZ-CD2 3.74Å; F289-Y291 HydrophobicContact CZ-CD2 3.74Å; F289-Y291 HydrophobicContact CZ-CG 4.21Å; Y291-L293 VanDerWaalsContact C-N 3.34Å; Y291-G328 CarbonylContact C-O 3.53Å; Y291-F329 HydrophobicContact CD2-CB 3.76Å; Y291-F329 HydrophobicContact CE2-CB 4.46Å; Y291-Q358 PolarHBondContact N-O 2.9Å; Y291-Q358 PolarHBondContact O-N 2.88Å
292N90.8Very high83.5Confident46 Ų4654.7 Ų54.725%0.24633%0.328CS..SBendtrans59.436.6-170.1-163.529.8000114.5G328 R355 V356N292-G328 WeakPolarHBondContact CA-O 3.49Å; N292-G328 PolarHBondContact N-O 2.83Å; N292-R355 WeakPolarHBondContact O-CB 3.48Å; N292-R355 WeakPolarHBondContact O-CD 3.06Å; N292-R355 PolarHBondContact OD1-NH1 2.89Å; N292-V356 WeakPolarHBondContact CB-O 3.34Å; N292-V356 PolarHBondContact ND2-O 2.89Å
293L90.2Very high85.8Confident1 Ų153 Ų531%0.00531%0.305CS..  trans-64.3154.4168.1-70.2170000111.4V290 Y291 A297 L302 V317 G328 L352 R355 L357V290-L293 HydrophobicContact CG1-CD1 4.33Å; V290-L293 HydrophobicContact CG1-CD2 3.92Å; V290-L293 HydrophobicContact CG1-CG 4.07Å; Y291-L293 VanDerWaalsContact C-N 3.34Å; L293-A297 HydrophobicContact CB-CB 4.21Å; L293-A297 HydrophobicContact CD2-CB 4.25Å; L293-L302 HydrophobicContact CD1-CD1 4.18Å; L293-L302 HydrophobicContact CD2-CD2 4.03Å; L293-V317 HydrophobicContact CD1-CG1 4.44Å; L293-G328 PolarHBondContact N-O 3.09Å; L293-L352 HydrophobicContact CD2-CD2 4.2Å; L293-R355 WeakPolarHBondContact O-CD 3.45Å; L293-L357 HydrophobicContact CD2-CD2 3.79Å; L293-L357 HydrophobicContact CG-CD2 4.47Å
294S87.3Confident87.9Confident31 Ų3156.4 Ų56.422%0.21730%0.299CS..  trans-61.4146.5168.3178.30000110.5E296 A297S294-E296 PolarHBondContact O-N 2.78Å; S294-E296 PolarHBondContact OG-N 3.49Å; S294-A297 WeakPolarHBondContact O-CB 3.31Å; S294-A297 PolarHBondContact O-N 2.78Å
295P84.6Confident89.2Confident46 Ų4653.6 Ų53.630%0.29927%0.272SS..THydrogen-bonded Turntrans-59.1-8.4168.525.8-35.7000114K325 C326P295-K325 HydrophobicContact CB-CB 4.38Å; P295-K325 WeakPolarHBondContact O-CB 3.43Å; P295-C326 PolarHBondContact O-N 3.05Å
296E83.6Confident90Very high133 Ų13352.2 Ų52.262%0.62126%0.258SS*.THydrogen-bonded Turntrans-118.49.5-179.4-55.2-177.9150.600112.4S294 D298 K325S294-E296 PolarHBondContact O-N 2.78Å; S294-E296 PolarHBondContact OG-N 3.49Å; E296-D298 PolarHBondContact O-N 2.94Å; E296-K325 IonicContact OE1-NZ 3.98Å; E296-K325 PolarHBondContact OE1-NZ 2.78Å
297A84.9Confident90.2Very high6 Ų649.9 Ų49.95%0.0526%0.262CS..  trans-84.9107.9177.400000111.3L293 S294 C326 L352L293-A297 HydrophobicContact CB-CB 4.21Å; L293-A297 HydrophobicContact CD2-CB 4.25Å; S294-A297 WeakPolarHBondContact O-CB 3.31Å; S294-A297 PolarHBondContact O-N 2.78Å; A297-C326 PolarHBondContact O-SG 2.87Å; A297-L352 HydrophobicContact CB-CD2 4.35Å
298D88.7Confident90.3Very high70 Ų7053.1 Ų53.137%0.37428%0.283SS..  trans-83.7168.2177.6-62.9-41.9000113.3E296 S300 V301 R319E296-D298 PolarHBondContact O-N 2.94Å; D298-S300 PolarHBondContact O-N 2.94Å; D298-S300 VanDerWaalsContact O-N 3.12Å; D298-V301 WeakPolarHBondContact O-CB 3.34Å; D298-V301 PolarHBondContact O-N 2.7Å; D298-R319 IonicContact OD1-CZ 2.97Å; D298-R319 IonicContact OD1-NH1 3.86Å; D298-R319 PolarHBondContact OD1-NH1 3.13Å; D298-R319 IonicContact OD1-NH2 2.8Å; D298-R319 PolarHBondContact OD1-NH2 2.84Å
299E90.7Very high90.2Very high52 Ų5255.8 Ų55.824%0.24330%0.295CS..Hα-helixtrans-51.7-35.2177.1-74.971.4-164.400112.9V301 L302 W303 V315 V317 R319E299-V301 VanDerWaalsContact C-N 3.26Å; E299-V301 PolarHBondContact O-N 2.68Å; E299-L302 PolarHBondContact O-N 2.91Å; E299-L302 VanDerWaalsContact O-N 3.13Å; E299-W303 PolarHBondContact O-N 2.8Å; E299-V315 HydrophobicContact CB-CB 4.5Å; E299-V315 HydrophobicContact CB-CG1 3.92Å; E299-V315 HydrophobicContact CG-CB 4.5Å; E299-V315 HydrophobicContact CG-CG1 3.93Å; E299-V317 HydrophobicContact CG-CG2 4.07Å; E299-V317 VanDerWaalsContact OE1-CB 3.31Å; E299-V317 WeakPolarHBondContact OE1-CB 3.5Å; E299-V317 PolarHBondContact OE1-N 2.74Å; E299-R319 IonicContact OE1-NE 3.2Å; E299-R319 IonicContact OE1-NH2 2.7Å; E299-R319 IonicContact OE2-CZ 2.68Å; E299-R319 IonicContact OE2-NE 3.69Å; E299-R319 IonicContact OE2-NH2 2.78Å; E299-R319 PolarHBondContact OE2-NH2 2.75Å
300S91.4Very high89.9Confident77 Ų7753.8 Ų53.854%0.53829%0.291SS..Hα-helixtrans-56.5-36.3178.3510000113.2D298 W303 Q304D298-S300 PolarHBondContact O-N 2.94Å; D298-S300 VanDerWaalsContact O-N 3.12Å; S300-W303 PolarHBondContact O-N 2.97Å; S300-Q304 WeakPolarHBondContact O-CB 3.46Å; S300-Q304 PolarHBondContact O-N 2.91Å
301V90.3Very high89.6Confident45 Ų4556.3 Ų56.327%0.27331%0.312SS..Hα-helixtrans-67.9-39.3178.7-173.90000110.6D298 E299 Q304 L305 L352D298-V301 WeakPolarHBondContact O-CB 3.34Å; D298-V301 PolarHBondContact O-N 2.7Å; E299-V301 VanDerWaalsContact C-N 3.26Å; E299-V301 PolarHBondContact O-N 2.68Å; V301-Q304 PolarHBondContact O-N 2.96Å; V301-L305 HydrophobicContact CG1-CD1 4.06Å; V301-L305 WeakPolarHBondContact O-CB 3.41Å; V301-L305 VanDerWaalsContact O-CG 3.29Å; V301-L305 WeakPolarHBondContact O-CG 3.21Å; V301-L305 PolarHBondContact O-N 3.17Å; V301-L352 HydrophobicContact CG1-CD1 3.83Å; V301-L352 HydrophobicContact CG1-CD2 3.88Å
302L91.6Very high89.5Confident1 Ų151.9 Ų51.91%0.00530%0.296CS..Hα-helixtrans-70.4-38.4175.4-68.2176.6000112.1V290 L293 E299 Q304 L305 F306 V315 V317 V332V290-L302 HydrophobicContact CB-CD2 4.28Å; V290-L302 HydrophobicContact CG1-CD2 3.95Å; V290-L302 HydrophobicContact CG2-CD2 4.18Å; L293-L302 HydrophobicContact CD1-CD1 4.18Å; L293-L302 HydrophobicContact CD2-CD2 4.03Å; E299-L302 PolarHBondContact O-N 2.91Å; E299-L302 VanDerWaalsContact O-N 3.13Å; L302-Q304 VanDerWaalsContact C-N 3.31Å; L302-Q304 PolarHBondContact O-N 3.26Å; L302-L305 PolarHBondContact O-N 3.43Å; L302-F306 HydrophobicContact CD2-CD2 4.39Å; L302-F306 HydrophobicContact CD2-CE2 4Å; L302-F306 WeakPolarHBondContact O-CB 3.37Å; L302-F306 WeakPolarHBondContact O-CD2 3.2Å; L302-F306 PolarHBondContact O-N 3.06Å; L302-V315 HydrophobicContact CB-CG1 3.6Å; L302-V315 HydrophobicContact CB-CG2 4.5Å; L302-V315 HydrophobicContact CD1-CG1 3.67Å; L302-V315 HydrophobicContact CG-CG1 4.27Å; L302-V317 HydrophobicContact CD1-CG2 3.79Å; L302-V332 HydrophobicContact CB-CG2 4.07Å; L302-V332 HydrophobicContact CD1-CG2 4.12Å; L302-V332 HydrophobicContact CD2-CG2 4.3Å; L302-V332 HydrophobicContact CG-CG2 4.41Å
303W92Very high89.4Confident116 Ų11652.8 Ų52.844%0.43930%0.304SS..Hα-helixtrans-58.4-44.2170.9-78106.2000111.6E299 S300 G307 V312 V315E299-W303 PolarHBondContact O-N 2.8Å; S300-W303 PolarHBondContact O-N 2.97Å; W303-G307 WeakPolarHBondContact O-CA 3.46Å; W303-G307 PolarHBondContact O-N 2.85Å; W303-V312 HydrophobicContact CD2-CG1 4.33Å; W303-V312 HydrophobicContact CE3-CB 3.81Å; W303-V312 HydrophobicContact CE3-CG1 3.78Å; W303-V312 HydrophobicContact CH2-CB 4.24Å; W303-V312 HydrophobicContact CH2-CG1 3.83Å; W303-V312 WeakPolarHBondContact CH2-O 3.42Å; W303-V312 HydrophobicContact CZ2-CG1 4.36Å; W303-V312 HydrophobicContact CZ3-CB 3.51Å; W303-V312 HydrophobicContact CZ3-CG1 3.53Å; W303-V312 VanDerWaalsContact CZ3-O 3.23Å; W303-V312 WeakPolarHBondContact CZ3-O 3.44Å; W303-V315 HydrophobicContact CD2-CG2 3.73Å; W303-V315 VanDerWaalsContact CE2-CG2 3.46Å; W303-V315 HydrophobicContact CE3-CG2 4.43Å; W303-V315 HydrophobicContact CG-CG2 3.93Å; W303-V315 HydrophobicContact CZ2-CB 4.39Å; W303-V315 HydrophobicContact CZ2-CG2 3.94Å
304Q90.8Very high89.1Confident152 Ų15256.1 Ų56.171%0.7132%0.322SS*.Hα-helixtrans-69.3-36.1179.6-169.563.127.300113.1S300 V301 L302 P308S300-Q304 WeakPolarHBondContact O-CB 3.46Å; S300-Q304 PolarHBondContact O-N 2.91Å; V301-Q304 PolarHBondContact O-N 2.96Å; L302-Q304 VanDerWaalsContact C-N 3.31Å; L302-Q304 PolarHBondContact O-N 3.26Å; Q304-P308 VanDerWaalsContact O-CD 3.31Å; Q304-P308 WeakPolarHBondContact O-CD 3.37Å
305L91Very high89.3Confident22 Ų2255.4 Ų55.412%0.11532%0.316CS..Hα-helixtrans-73.8-40.2178.6-74.8169.6000113.1V301 L302 F309 L347 Y350 L352 L357V301-L305 HydrophobicContact CG1-CD1 4.06Å; V301-L305 WeakPolarHBondContact O-CB 3.41Å; V301-L305 VanDerWaalsContact O-CG 3.29Å; V301-L305 WeakPolarHBondContact O-CG 3.21Å; V301-L305 PolarHBondContact O-N 3.17Å; L302-L305 PolarHBondContact O-N 3.43Å; L305-F309 WeakPolarHBondContact O-CD2 3.3Å; L305-F309 WeakPolarHBondContact O-CE2 3.48Å; L305-L347 HydrophobicContact CB-CD1 4.31Å; L305-L347 HydrophobicContact CB-CD2 4.45Å; L305-L347 HydrophobicContact CD2-CD2 4.21Å; L305-Y350 HydrophobicContact CD2-CD1 4.18Å; L305-Y350 HydrophobicContact CD2-CE1 3.67Å; L305-L352 HydrophobicContact CD1-CD1 4.48Å; L305-L357 HydrophobicContact CD1-CD1 3.98Å
306F93.3Very high89.6Confident0 Ų056.6 Ų56.60%032%0.316CS..Hα-helixtrans-92.9-23.9-174.7-75.3-98.9000113.9I288 V290 L302 P308 F309 V312 V332 M334 A343 L347 V359I288-F306 HydrophobicContact CD1-CD1 3.95Å; I288-F306 HydrophobicContact CD1-CE1 3.63Å; I288-F306 HydrophobicContact CG2-CE1 4.06Å; I288-F306 HydrophobicContact CG2-CZ 4.3Å; V290-F306 HydrophobicContact CG2-CE2 3.85Å; V290-F306 HydrophobicContact CG2-CZ 3.65Å; L302-F306 HydrophobicContact CD2-CD2 4.39Å; L302-F306 HydrophobicContact CD2-CE2 4Å; L302-F306 WeakPolarHBondContact O-CB 3.37Å; L302-F306 WeakPolarHBondContact O-CD2 3.2Å; L302-F306 PolarHBondContact O-N 3.06Å; F306-P308 VanDerWaalsContact C-CD 3.45Å; F306-F309 PolarHBondContact O-N 2.86Å; F306-V312 HydrophobicContact CB-CG2 3.63Å; F306-V332 HydrophobicContact CB-CG1 4.03Å; F306-V332 HydrophobicContact CD1-CB 4.42Å; F306-V332 HydrophobicContact CD1-CG1 3.96Å; F306-V332 HydrophobicContact CD2-CG1 4.32Å; F306-V332 HydrophobicContact CD2-CG2 3.9Å; F306-V332 HydrophobicContact CE2-CG2 3.93Å; F306-V332 HydrophobicContact CG-CB 4.42Å; F306-V332 HydrophobicContact CG-CG1 3.84Å; F306-V332 HydrophobicContact CG-CG2 4.26Å; F306-V332 HydrophobicContact CZ-CG2 4.32Å; F306-M334 HydrophobicContact CD1-SD 4Å; F306-A343 HydrophobicContact CD1-CB 3.77Å; F306-A343 HydrophobicContact CE1-CB 3.93Å; F306-L347 HydrophobicContact CD1-CD1 3.84Å; F306-L347 HydrophobicContact CD2-CD1 3.77Å; F306-L347 HydrophobicContact CE1-CD1 3.66Å; F306-L347 HydrophobicContact CE2-CD1 3.61Å; F306-L347 HydrophobicContact CG-CD1 3.89Å; F306-L347 HydrophobicContact CZ-CD1 3.55Å; F306-V359 HydrophobicContact CE1-CG1 4.15Å; F306-V359 HydrophobicContact CZ-CG1 3.78Å
307G89.9Confident89.9Confident42 Ų4250.7 Ų50.743%0.43329%0.289SS..G310 helixtrans-54.3-3717900000116.2W303 F309W303-G307 WeakPolarHBondContact O-CA 3.46Å; W303-G307 PolarHBondContact O-N 2.85Å; G307-F309 PolarHBondContact O-N 3.16Å
308P92.7Very high90.1Very high103 Ų10352.1 Ų52.167%0.66930%0.296SS*.G310 helixtrans-65.3-20.8175.4-25.235.9000114.9Q304 F306Q304-P308 VanDerWaalsContact O-CD 3.31Å; Q304-P308 WeakPolarHBondContact O-CD 3.37Å; F306-P308 VanDerWaalsContact C-CD 3.45Å
309F90.4Very high90.2Very high56 Ų5652.7 Ų52.725%0.24629%0.293CS..G310 helixtrans-94.5-16.7-175.3-63.4-83.6000113.8L305 F306 G307 M334 E339 M342 A343 S346 L347L305-F309 WeakPolarHBondContact O-CD2 3.3Å; L305-F309 WeakPolarHBondContact O-CE2 3.48Å; F306-F309 PolarHBondContact O-N 2.86Å; G307-F309 PolarHBondContact O-N 3.16Å; F309-M334 HydrophobicContact CB-CE 4.1Å; F309-E339 VanDerWaalsContact O-CB 3.28Å; F309-E339 WeakPolarHBondContact O-CB 3.4Å; F309-E339 WeakPolarHBondContact O-CG 3.39Å; F309-M342 HydrophobicContact CD1-CB 4.44Å; F309-A343 HydrophobicContact CB-CB 3.71Å; F309-A343 HydrophobicContact CD1-CB 4.31Å; F309-A343 HydrophobicContact CD2-CB 4.13Å; F309-A343 HydrophobicContact CG-CB 3.79Å; F309-S346 WeakPolarHBondContact CE1-OG 3.46Å; F309-S346 VanDerWaalsContact CZ-CB 3.46Å; F309-L347 HydrophobicContact CD2-CD1 4.16Å; F309-L347 HydrophobicContact CE2-CD1 3.87Å; F309-L347 HydrophobicContact CE2-CD2 4.01Å; F309-L347 HydrophobicContact CE2-CG 3.88Å; F309-L347 HydrophobicContact CZ-CD2 4.42Å; F309-L347 HydrophobicContact CZ-CG 4.28Å
310G87.5Confident89.9Confident18 Ų1852.2 Ų52.219%0.18629%0.292CS..SBendtrans161.6-179.4-176.400000114.8V312 M334 E339G310-V312 PolarHBondContact O-N 2.91Å; G310-V312 VanDerWaalsContact O-N 3.13Å; G310-M334 VanDerWaalsContact CA-CE 3.5Å; G310-E339 VanDerWaalsContact CA-CD 3.46Å; G310-E339 WeakPolarHBondContact CA-OE2 3.47Å
311A87.9Confident89.3Confident53 Ų5357.9 Ų57.944%0.43831%0.307SS..  trans-79.4102.1-176.100000111.5M334 T335 E339A311-M334 WeakPolarHBondContact O-CA 3.49Å; A311-T335 HydrophobicContact CB-CG2 3.98Å; A311-T335 PolarHBondContact O-N 3.24Å; A311-T335 PolarHBondContact O-OG1 2.99Å; A311-E339 PolarHBondContact N-OE2 3.47Å; A311-E339 VanDerWaalsContact N-OE2 3.1Å
312V90.1Very high88.9Confident19 Ų1961.6 Ų61.612%0.11533%0.33CS..EExtended strand (participates in β ladder)trans-73126.7172.3-179.10000109.8W303 F306 G310 V315 V332 M334W303-V312 HydrophobicContact CD2-CG1 4.33Å; W303-V312 HydrophobicContact CE3-CB 3.81Å; W303-V312 HydrophobicContact CE3-CG1 3.78Å; W303-V312 HydrophobicContact CH2-CB 4.24Å; W303-V312 HydrophobicContact CH2-CG1 3.83Å; W303-V312 WeakPolarHBondContact CH2-O 3.42Å; W303-V312 HydrophobicContact CZ2-CG1 4.36Å; W303-V312 HydrophobicContact CZ3-CB 3.51Å; W303-V312 HydrophobicContact CZ3-CG1 3.53Å; W303-V312 VanDerWaalsContact CZ3-O 3.23Å; W303-V312 WeakPolarHBondContact CZ3-O 3.44Å; F306-V312 HydrophobicContact CB-CG2 3.63Å; G310-V312 PolarHBondContact O-N 2.91Å; G310-V312 VanDerWaalsContact O-N 3.13Å; V312-V315 HydrophobicContact CG1-CG2 3.61Å; V312-V332 HydrophobicContact CG1-CG1 3.76Å; V312-V332 HydrophobicContact CG2-CG1 4.11Å; V312-M334 HydrophobicContact CG2-CG 4.2Å
313T87.9Confident88.4Confident66 Ų6665.8 Ų65.841%0.40536%0.356SS..EExtended strand (participates in β ladder)trans-98.7-29.1-179.364.90000112.9T333 T335T313-T333 PolarHBondContact N-O 2.84Å; T313-T333 WeakPolarHBondContact OG1-CG2 3.42Å; T313-T333 PolarHBondContact OG1-O 2.81Å; T313-T335 HydrophobicContact CG2-CG2 3.48Å; T313-T335 VanDerWaalsContact CG2-CG2 3.48Å
314N85.1Confident87.8Confident71 Ų7165.6 Ų65.638%0.3836%0.364SS..EExtended strand (participates in β ladder)trans-156.5145.6-179.1-158.2-100.9000111.2V332 T333N314-V332 CarbonylContact O-C 3.52Å; N314-V332 WeakPolarHBondContact O-CA 3.44Å; N314-T333 PolarHBondContact N-O 3.44Å; N314-T333 PolarHBondContact O-N 3.38Å
315V91.2Very high87.4Confident16 Ų1663 Ų6310%0.09735%0.35CS..EExtended strand (participates in β ladder)trans-135.1136.2170.9179.90000107.7E299 L302 W303 V312 F331 V332E299-V315 HydrophobicContact CB-CB 4.5Å; E299-V315 HydrophobicContact CB-CG1 3.92Å; E299-V315 HydrophobicContact CG-CB 4.5Å; E299-V315 HydrophobicContact CG-CG1 3.93Å; L302-V315 HydrophobicContact CB-CG1 3.6Å; L302-V315 HydrophobicContact CB-CG2 4.5Å; L302-V315 HydrophobicContact CD1-CG1 3.67Å; L302-V315 HydrophobicContact CG-CG1 4.27Å; W303-V315 HydrophobicContact CD2-CG2 3.73Å; W303-V315 VanDerWaalsContact CE2-CG2 3.46Å; W303-V315 HydrophobicContact CE3-CG2 4.43Å; W303-V315 HydrophobicContact CG-CG2 3.93Å; W303-V315 HydrophobicContact CZ2-CB 4.39Å; W303-V315 HydrophobicContact CZ2-CG2 3.94Å; V312-V315 HydrophobicContact CG1-CG2 3.61Å; V315-F331 WeakPolarHBondContact CA-O 3.23Å; V315-V332 HydrophobicContact CG2-CG1 4.4Å; V315-V332 HydrophobicContact CG2-CG2 4.42Å
316K89.9Confident87.2Confident71 Ų7162.4 Ų62.431%0.30935%0.347SS..EExtended strand (participates in β ladder)trans-142.7111.7174.4-178.3179.3-178178.90110I67 I318 G330 F331I67-K316 PolarHBondContact O-NZ 3.49Å; K316-I318 HydrophobicContact CD-CD1 4.06Å; K316-I318 HydrophobicContact CG-CD1 4.04Å; K316-G330 CarbonylContact O-C 3.56Å; K316-G330 WeakPolarHBondContact O-CA 3.37Å; K316-F331 PolarHBondContact N-O 3.4Å; K316-F331 PolarHBondContact O-N 3.13Å
317V91.1Very high86.8Confident8 Ų867.6 Ų67.65%0.04837%0.37CS..EExtended strand (participates in β ladder)trans-82.9140.7167.9-175.10000108.5L293 E299 L302 C326L293-V317 HydrophobicContact CD1-CG1 4.44Å; E299-V317 HydrophobicContact CG-CG2 4.07Å; E299-V317 VanDerWaalsContact OE1-CB 3.31Å; E299-V317 WeakPolarHBondContact OE1-CB 3.5Å; E299-V317 PolarHBondContact OE1-N 2.74Å; L302-V317 HydrophobicContact CD1-CG2 3.79Å; V317-C326 HydrophobicContact CG1-CB 3.72Å; V317-C326 VanDerWaalsContact CG1-SG 3.58Å
318I89.1Confident86.7Confident37 Ų3766.1 Ų66.119%0.1936%0.355CS..EExtended strand (participates in β ladder)trans-93.1116.5175.6-56.2-54.3000108.3K316 K327 F329 F331K316-I318 HydrophobicContact CD-CD1 4.06Å; K316-I318 HydrophobicContact CG-CD1 4.04Å; I318-K327 HydrophobicContact CG2-CD 4.18Å; I318-K327 HydrophobicContact CG2-CG 4.46Å; I318-K327 WeakPolarHBondContact O-CB 3.47Å; I318-K327 PolarHBondContact O-N 2.85Å; I318-F329 HydrophobicContact CB-CD2 4.07Å; I318-F329 HydrophobicContact CB-CE1 4.39Å; I318-F329 HydrophobicContact CB-CE2 3.73Å; I318-F329 HydrophobicContact CB-CZ 3.89Å; I318-F329 HydrophobicContact CG1-CD2 3.83Å; I318-F329 HydrophobicContact CG1-CE2 3.45Å; I318-F329 VanDerWaalsContact CG1-CE2 3.45Å; I318-F329 HydrophobicContact CG1-CZ 4.08Å; I318-F329 HydrophobicContact CG2-CE1 4.33Å; I318-F329 HydrophobicContact CG2-CE2 4.06Å; I318-F329 HydrophobicContact CG2-CZ 3.77Å; I318-F329 PolarHBondContact N-O 2.75Å; I318-F331 HydrophobicContact CD1-CD2 4.35Å; I318-F331 HydrophobicContact CD1-CE2 4.18Å; I318-F331 HydrophobicContact CG1-CD2 4.28Å; I318-F331 HydrophobicContact CG1-CE2 3.91Å
319R89.9Confident86.7Confident81 Ų8163.9 Ų63.931%0.30634%0.335SS..EExtended strand (participates in β ladder)trans-106.5155.4-178.8-62.2170.7-170.2-95.94.3110.6D298 E299 N324 K325 C326D298-R319 IonicContact OD1-CZ 2.97Å; D298-R319 IonicContact OD1-NH1 3.86Å; D298-R319 PolarHBondContact OD1-NH1 3.13Å; D298-R319 IonicContact OD1-NH2 2.8Å; D298-R319 PolarHBondContact OD1-NH2 2.84Å; E299-R319 IonicContact OE1-NE 3.2Å; E299-R319 IonicContact OE1-NH2 2.7Å; E299-R319 IonicContact OE2-CZ 2.68Å; E299-R319 IonicContact OE2-NE 3.69Å; E299-R319 IonicContact OE2-NH2 2.78Å; E299-R319 PolarHBondContact OE2-NH2 2.75Å; R319-N324 WeakPolarHBondContact CD-O 3.47Å; R319-K325 CarbonylContact C-O 3.49Å; R319-K325 WeakPolarHBondContact CA-O 3.23Å; R319-C326 PolarHBondContact NH1-SG 2.92Å
320D84.1Confident86.8Confident42 Ų4261.2 Ų61.223%0.22532%0.323CS..  trans-78.8134.8170.8-161.4-87.5000110.5T322 N324 K325 K327D320-T322 PolarHBondContact O-N 3.3Å; D320-T322 VanDerWaalsContact OD1-CB 3.29Å; D320-T322 WeakPolarHBondContact OD1-CB 3.36Å; D320-T322 PolarHBondContact OD1-N 3.12Å; D320-T322 PolarHBondContact OD1-OG1 3.13Å; D320-N324 VanDerWaalsContact O-CA 3.23Å; D320-N324 WeakPolarHBondContact O-CA 3.41Å; D320-N324 PolarHBondContact O-N 2.97Å; D320-K325 PolarHBondContact N-O 2.98Å; D320-K327 HydrophobicContact CB-CD 4.21Å; D320-K327 HydrophobicContact CB-CG 4.11Å; D320-K327 IonicContact OD2-NZ 4Å; D320-K327 PolarHBondContact OD2-NZ 3.06Å
321F79.9Confident87.1Confident196 Ų19662.4 Ų62.486%0.8632%0.323SS*.THydrogen-bonded Turntrans-64.3-28.8-178.2-174-102.1000112.5
322T80.6Confident87.3Confident123 Ų12359.9 Ų59.976%0.75530%0.302SS*.THydrogen-bonded Turntrans-82.5-36.2-174.4-24.40000112.5D320D320-T322 PolarHBondContact O-N 3.3Å; D320-T322 VanDerWaalsContact OD1-CB 3.29Å; D320-T322 WeakPolarHBondContact OD1-CB 3.36Å; D320-T322 PolarHBondContact OD1-N 3.12Å; D320-T322 PolarHBondContact OD1-OG1 3.13Å
323T82.8Confident87.4Confident90 Ų9060.1 Ų60.155%0.55230%0.304SS*.THydrogen-bonded Turntrans-116.4-8.7-172.565.10000114.1K325T323-K325 PolarHBondContact O-N 2.97Å
324N78.4Confident87.5Confident112 Ų11257 Ų5760%0.59928%0.284SS*.  trans55.1-0.9-170.9-80.6-91.4000116.3R319 D320R319-N324 WeakPolarHBondContact CD-O 3.47Å; D320-N324 VanDerWaalsContact O-CA 3.23Å; D320-N324 WeakPolarHBondContact O-CA 3.41Å; D320-N324 PolarHBondContact O-N 2.97Å
325K83.5Confident87.6Confident98 Ų9856.3 Ų56.343%0.42628%0.283SS..  trans-72.6152.1172.9-75.5-175.8174.4-74.40111.2P295 E296 R319 D320 T323P295-K325 HydrophobicContact CB-CB 4.38Å; P295-K325 WeakPolarHBondContact O-CB 3.43Å; E296-K325 IonicContact OE1-NZ 3.98Å; E296-K325 PolarHBondContact OE1-NZ 2.78Å; R319-K325 CarbonylContact C-O 3.49Å; R319-K325 WeakPolarHBondContact CA-O 3.23Å; D320-K325 PolarHBondContact N-O 2.98Å; T323-K325 PolarHBondContact O-N 2.97Å
326C85.4Confident87.5Confident9 Ų959.1 Ų59.16%0.06130%0.297CS..EExtended strand (participates in β ladder)trans-73.2133.2-174.2-55.20000110.8P295 A297 V317 R319 G328P295-C326 PolarHBondContact O-N 3.05Å; A297-C326 PolarHBondContact O-SG 2.87Å; V317-C326 HydrophobicContact CG1-CB 3.72Å; V317-C326 VanDerWaalsContact CG1-SG 3.58Å; R319-C326 PolarHBondContact NH1-SG 2.92Å; C326-G328 PolarHBondContact O-N 3.46Å
327K85.9Confident87.5Confident108 Ų10859.7 Ų59.747%0.4730%0.298SS..EExtended strand (participates in β ladder)trans-75.921.7-178.6-54.4-165.771.31370113.3I318 D320 F329I318-K327 HydrophobicContact CG2-CD 4.18Å; I318-K327 HydrophobicContact CG2-CG 4.46Å; I318-K327 WeakPolarHBondContact O-CB 3.47Å; I318-K327 PolarHBondContact O-N 2.85Å; D320-K327 HydrophobicContact CB-CD 4.21Å; D320-K327 HydrophobicContact CB-CG 4.11Å; D320-K327 IonicContact OD2-NZ 4Å; D320-K327 PolarHBondContact OD2-NZ 3.06Å; K327-F329 VanDerWaalsContact C-N 3.33Å; K327-F329 HydrophobicContact CB-CD1 4.21Å; K327-F329 HydrophobicContact CB-CE1 3.98Å; K327-F329 WeakPolarHBondContact O-CD1 3.39Å; K327-F329 PolarHBondContact O-N 2.96Å
328G87.7Confident87.4Confident11 Ų1164.6 Ų64.611%0.11332%0.324CS..EExtended strand (participates in β ladder)trans76.77.2-177.400000115.6Y291 N292 L293 C326Y291-G328 CarbonylContact C-O 3.53Å; N292-G328 WeakPolarHBondContact CA-O 3.49Å; N292-G328 PolarHBondContact N-O 2.83Å; L293-G328 PolarHBondContact N-O 3.09Å; C326-G328 PolarHBondContact O-N 3.46Å
329F92.1Very high87.6Confident57 Ų5765 Ų6525%0.2533%0.325CS..EExtended strand (participates in β ladder)trans-150.5159.8179.471.8-88000115.2F289 V290 Y291 I318 K327 F331F289-F329 HydrophobicContact CE2-CB 3.95Å; F289-F329 AromaticContact CE2-CD2 3.74Å; F289-F329 HydrophobicContact CE2-CD2 3.74Å; F289-F329 HydrophobicContact CE2-CG 4.12Å; F289-F329 HydrophobicContact CZ-CB 4.29Å; V290-F329 CarbonylContact O-C 3.58Å; V290-F329 WeakPolarHBondContact O-CA 3.5Å; V290-F329 WeakPolarHBondContact O-CB 3.45Å; Y291-F329 HydrophobicContact CD2-CB 3.76Å; Y291-F329 HydrophobicContact CE2-CB 4.46Å; I318-F329 HydrophobicContact CB-CD2 4.07Å; I318-F329 HydrophobicContact CB-CE1 4.39Å; I318-F329 HydrophobicContact CB-CE2 3.73Å; I318-F329 HydrophobicContact CB-CZ 3.89Å; I318-F329 HydrophobicContact CG1-CD2 3.83Å; I318-F329 HydrophobicContact CG1-CE2 3.45Å; I318-F329 VanDerWaalsContact CG1-CE2 3.45Å; I318-F329 HydrophobicContact CG1-CZ 4.08Å; I318-F329 HydrophobicContact CG2-CE1 4.33Å; I318-F329 HydrophobicContact CG2-CE2 4.06Å; I318-F329 HydrophobicContact CG2-CZ 3.77Å; I318-F329 PolarHBondContact N-O 2.75Å; K327-F329 VanDerWaalsContact C-N 3.33Å; K327-F329 HydrophobicContact CB-CD1 4.21Å; K327-F329 HydrophobicContact CB-CE1 3.98Å; K327-F329 WeakPolarHBondContact O-CD1 3.39Å; K327-F329 PolarHBondContact O-N 2.96Å; F329-F331 HydrophobicContact CD2-CE2 4.24Å; F329-F331 HydrophobicContact CD2-CZ 4.4Å; F329-F331 HydrophobicContact CE2-CE2 4.14Å; F329-F331 HydrophobicContact CE2-CZ 4.32Å
330G91.9Very high87.6Confident0 Ų061.2 Ų61.20%031%0.311CS..EExtended strand (participates in β ladder)trans-156.9-179.317900000112.5V290 K316V290-G330 PolarHBondContact N-O 3.34Å; V290-G330 PolarHBondContact O-N 2.83Å; K316-G330 CarbonylContact O-C 3.56Å; K316-G330 WeakPolarHBondContact O-CA 3.37Å
331F93.9Very high87.9Confident43 Ų4360.7 Ų60.719%0.18931%0.312CS..EExtended strand (participates in β ladder)trans-130.5139.7179-58.1-83.4000110.1I288 F289 V315 K316 I318 F329 K362I288-F331 WeakPolarHBondContact O-CA 3.5Å; F289-F331 HydrophobicContact CB-CD1 4.49Å; F289-F331 HydrophobicContact CB-CE1 4.46Å; F289-F331 HydrophobicContact CD2-CD1 4.06Å; F289-F331 AromaticContact CD2-CE1 3.55Å; F289-F331 HydrophobicContact CD2-CE1 3.55Å; F289-F331 HydrophobicContact CD2-CZ 4.04Å; F289-F331 HydrophobicContact CE2-CE1 4.25Å; F289-F331 HydrophobicContact CE2-CZ 4.31Å; F289-F331 HydrophobicContact CG-CE1 4.41Å; V315-F331 WeakPolarHBondContact CA-O 3.23Å; K316-F331 PolarHBondContact N-O 3.4Å; K316-F331 PolarHBondContact O-N 3.13Å; I318-F331 HydrophobicContact CD1-CD2 4.35Å; I318-F331 HydrophobicContact CD1-CE2 4.18Å; I318-F331 HydrophobicContact CG1-CD2 4.28Å; I318-F331 HydrophobicContact CG1-CE2 3.91Å; F329-F331 HydrophobicContact CD2-CE2 4.24Å; F329-F331 HydrophobicContact CD2-CZ 4.4Å; F329-F331 HydrophobicContact CE2-CE2 4.14Å; F329-F331 HydrophobicContact CE2-CZ 4.32Å; F331-K362 HydrophobicContact CD1-CD 3.9Å; F331-K362 HydrophobicContact CD1-CG 4.45Å; F331-K362 HydrophobicContact CE1-CD 3.88Å; F331-K362 HydrophobicContact CE1-CG 4.21Å
332V93.7Very high88.5Confident0 Ų056.4 Ų56.40%030%0.297CS..EExtended strand (participates in β ladder)trans-122.2141.7172.7-178.50000107.4C287 I288 V290 L302 F306 V312 N314 V315 M334C287-V332 CarbonylContact C-O 3.49Å; C287-V332 WeakPolarHBondContact CA-O 3.37Å; I288-V332 HydrophobicContact CB-CB 4.42Å; I288-V332 PolarHBondContact N-O 2.98Å; I288-V332 PolarHBondContact O-N 3.39Å; V290-V332 HydrophobicContact CG2-CG2 4.12Å; L302-V332 HydrophobicContact CB-CG2 4.07Å; L302-V332 HydrophobicContact CD1-CG2 4.12Å; L302-V332 HydrophobicContact CD2-CG2 4.3Å; L302-V332 HydrophobicContact CG-CG2 4.41Å; F306-V332 HydrophobicContact CB-CG1 4.03Å; F306-V332 HydrophobicContact CD1-CB 4.42Å; F306-V332 HydrophobicContact CD1-CG1 3.96Å; F306-V332 HydrophobicContact CD2-CG1 4.32Å; F306-V332 HydrophobicContact CD2-CG2 3.9Å; F306-V332 HydrophobicContact CE2-CG2 3.93Å; F306-V332 HydrophobicContact CG-CB 4.42Å; F306-V332 HydrophobicContact CG-CG1 3.84Å; F306-V332 HydrophobicContact CG-CG2 4.26Å; F306-V332 HydrophobicContact CZ-CG2 4.32Å; V312-V332 HydrophobicContact CG1-CG1 3.76Å; V312-V332 HydrophobicContact CG2-CG1 4.11Å; N314-V332 CarbonylContact O-C 3.52Å; N314-V332 WeakPolarHBondContact O-CA 3.44Å; V315-V332 HydrophobicContact CG2-CG1 4.4Å; V315-V332 HydrophobicContact CG2-CG2 4.42Å; V332-M334 HydrophobicContact CG1-CG 4.33Å
333T90.9Very high89.1Confident23 Ų2350.6 Ų50.614%0.14126%0.261CS..EExtended strand (participates in β ladder)trans-127.5114.7-179.4-52.60000109.4G285 W286 T313 N314G285-T333 WeakPolarHBondContact O-CG2 3.29Å; W286-T333 WeakPolarHBondContact O-CA 3.47Å; T313-T333 PolarHBondContact N-O 2.84Å; T313-T333 WeakPolarHBondContact OG1-CG2 3.42Å; T313-T333 PolarHBondContact OG1-O 2.81Å; N314-T333 PolarHBondContact N-O 3.44Å; N314-T333 PolarHBondContact O-N 3.38Å
334M89.5Confident89.6Confident0 Ų047.4 Ų47.40%024%0.24CC..EExtended strand (participates in β ladder)trans-103156.9-177-62.7-176.874.800111.7G285 W286 I288 F306 F309 G310 A311 V312 V332 E339 A340 A343G285-M334 CarbonylContact C-O 3.56Å; G285-M334 VanDerWaalsContact CA-O 3.3Å; G285-M334 WeakPolarHBondContact CA-O 3.07Å; W286-M334 PolarHBondContact N-O 3.47Å; W286-M334 PolarHBondContact O-N 3.03Å; I288-M334 HydrophobicContact CD1-CG 4.12Å; I288-M334 HydrophobicContact CD1-SD 3.61Å; F306-M334 HydrophobicContact CD1-SD 4Å; F309-M334 HydrophobicContact CB-CE 4.1Å; G310-M334 VanDerWaalsContact CA-CE 3.5Å; A311-M334 WeakPolarHBondContact O-CA 3.49Å; V312-M334 HydrophobicContact CG2-CG 4.2Å; V332-M334 HydrophobicContact CG1-CG 4.33Å; M334-E339 HydrophobicContact CE-CB 3.89Å; M334-A340 HydrophobicContact CB-CB 4.26Å; M334-A340 HydrophobicContact SD-CB 4.18Å; M334-A343 HydrophobicContact CE-CB 4.48Å; M334-A343 HydrophobicContact SD-CB 3.94Å
335T88.1Confident90.2Very high57 Ų5745.9 Ų45.935%0.3524%0.243SC..SBendtrans-66.1-46.1177.944.30000112.7A311 T313 E339A311-T335 HydrophobicContact CB-CG2 3.98Å; A311-T335 PolarHBondContact O-N 3.24Å; A311-T335 PolarHBondContact O-OG1 2.99Å; T313-T335 HydrophobicContact CG2-CG2 3.48Å; T313-T335 VanDerWaalsContact CG2-CG2 3.48Å; T335-E339 PolarHBondContact OG1-OE2 2.96Å
336N89.8Confident90.5Very high75 Ų7544.4 Ų44.440%0.40125%0.245SC..  trans-113.8150.1-165.8-57.3-42.5000111.6E339 A340N336-E339 HydrophobicContact CB-CB 4.15Å; N336-E339 HydrophobicContact CB-CG 3.9Å; N336-E339 PolarHBondContact ND2-OE1 3.46Å; N336-E339 PolarHBondContact ND2-OE2 3.4Å; N336-A340 WeakPolarHBondContact O-CB 3.47Å; N336-A340 PolarHBondContact O-N 3.07Å
337Y88.8Confident90.9Very high84 Ų8444.3 Ų44.333%0.32924%0.244SC..Hα-helixtrans-71.1-47.6-175.9176.8-105.9000111.6W286 A340 A341 F361W286-Y337 AromaticContact CD2-CD2 3.79Å; W286-Y337 HydrophobicContact CD2-CD2 3.79Å; W286-Y337 HydrophobicContact CD2-CG 4.45Å; W286-Y337 AromaticContact CE3-CD2 3.61Å; W286-Y337 HydrophobicContact CE3-CD2 3.61Å; W286-Y337 HydrophobicContact CE3-CE2 4.28Å; W286-Y337 AromaticContact CH2-CD2 3.92Å; W286-Y337 HydrophobicContact CH2-CD2 3.92Å; W286-Y337 HydrophobicContact CH2-CG 4.5Å; W286-Y337 HydrophobicContact CZ2-CD2 4.11Å; W286-Y337 HydrophobicContact CZ2-CG 4.35Å; W286-Y337 AromaticContact CZ3-CD2 3.68Å; W286-Y337 HydrophobicContact CZ3-CD2 3.68Å; W286-Y337 HydrophobicContact CZ3-CE2 4.17Å; Y337-A340 CarbonylContact O-C 3.56Å; Y337-A340 WeakPolarHBondContact O-CA 3.44Å; Y337-A340 WeakPolarHBondContact O-CB 3.15Å; Y337-A340 PolarHBondContact O-N 3.27Å; Y337-A340 VanDerWaalsContact O-N 3.11Å; Y337-A341 PolarHBondContact O-N 2.99Å; Y337-F361 HydrophobicContact CD2-CE1 4.22Å; Y337-F361 AromaticContact CD2-CZ 3.82Å; Y337-F361 HydrophobicContact CD2-CZ 3.82Å; Y337-F361 HydrophobicContact CE2-CE1 4.08Å; Y337-F361 AromaticContact CE2-CE2 3.75Å; Y337-F361 HydrophobicContact CE2-CE2 3.75Å; Y337-F361 AromaticContact CE2-CZ 3.4Å; Y337-F361 HydrophobicContact CE2-CZ 3.4Å; Y337-F361 VanDerWaalsContact CE2-CZ 3.4Å
338D90.1Very high91.2Very high110 Ų11043.4 Ų43.459%0.58824%0.244SC*.Hα-helixtrans-69.3-38.5-173.4-49.5-91.3000111.2A340 A341 M342D338-A340 VanDerWaalsContact C-N 3.35Å; D338-A340 PolarHBondContact O-N 3.42Å; D338-A341 PolarHBondContact O-N 3.39Å; D338-M342 WeakPolarHBondContact O-CB 3.24Å; D338-M342 WeakPolarHBondContact O-CG 3.38Å; D338-M342 PolarHBondContact O-N 2.99Å
339E91.5Very high91.2Very high47 Ų4745 Ų4522%0.2226%0.26CS..Hα-helixtrans-56.3-47167.7-68177-170.500111.6F309 G310 A311 M334 T335 N336 M342 A343F309-E339 VanDerWaalsContact O-CB 3.28Å; F309-E339 WeakPolarHBondContact O-CB 3.4Å; F309-E339 WeakPolarHBondContact O-CG 3.39Å; G310-E339 VanDerWaalsContact CA-CD 3.46Å; G310-E339 WeakPolarHBondContact CA-OE2 3.47Å; A311-E339 PolarHBondContact N-OE2 3.47Å; A311-E339 VanDerWaalsContact N-OE2 3.1Å; M334-E339 HydrophobicContact CE-CB 3.89Å; T335-E339 PolarHBondContact OG1-OE2 2.96Å; N336-E339 HydrophobicContact CB-CB 4.15Å; N336-E339 HydrophobicContact CB-CG 3.9Å; N336-E339 PolarHBondContact ND2-OE1 3.46Å; N336-E339 PolarHBondContact ND2-OE2 3.4Å; E339-M342 PolarHBondContact O-N 3.4Å; E339-A343 WeakPolarHBondContact O-CB 3.19Å; E339-A343 PolarHBondContact O-N 2.96Å
340A90.3Very high91.2Very high0 Ų047.3 Ų47.30%027%0.268CS..Hα-helixtrans-66.1-38.1177.700000112.5W286 I288 M334 N336 Y337 D338 A343 I344 F361W286-A340 HydrophobicContact CB-CB 3.98Å; I288-A340 HydrophobicContact CD1-CB 3.85Å; I288-A340 HydrophobicContact CG1-CB 4.24Å; M334-A340 HydrophobicContact CB-CB 4.26Å; M334-A340 HydrophobicContact SD-CB 4.18Å; N336-A340 WeakPolarHBondContact O-CB 3.47Å; N336-A340 PolarHBondContact O-N 3.07Å; Y337-A340 CarbonylContact O-C 3.56Å; Y337-A340 WeakPolarHBondContact O-CA 3.44Å; Y337-A340 WeakPolarHBondContact O-CB 3.15Å; Y337-A340 PolarHBondContact O-N 3.27Å; Y337-A340 VanDerWaalsContact O-N 3.11Å; D338-A340 VanDerWaalsContact C-N 3.35Å; D338-A340 PolarHBondContact O-N 3.42Å; A340-A343 PolarHBondContact O-N 2.84Å; A340-I344 WeakPolarHBondContact O-CB 3.49Å; A340-I344 WeakPolarHBondContact O-CD1 3.49Å; A340-I344 VanDerWaalsContact O-CG1 3.24Å; A340-I344 WeakPolarHBondContact O-CG1 3.35Å; A340-I344 PolarHBondContact O-N 3.37Å; A340-F361 HydrophobicContact CB-CE1 3.75Å; A340-F361 HydrophobicContact CB-CZ 4.14Å
341A90.9Very high91.1Very high31 Ų3155.4 Ų55.426%0.25630%0.299SS..Hα-helixtrans-66.8-42.9176.400000111.9Y337 D338 I344 A345 F361Y337-A341 PolarHBondContact O-N 2.99Å; D338-A341 PolarHBondContact O-N 3.39Å; A341-I344 PolarHBondContact O-N 3.5Å; A341-A345 WeakPolarHBondContact O-CB 3.35Å; A341-A345 PolarHBondContact O-N 2.95Å; A341-F361 HydrophobicContact CB-CE2 4.46Å; A341-F361 HydrophobicContact CB-CZ 4.22Å
342M92Very high90.7Very high107 Ų10755.2 Ų55.253%0.52730%0.299SS..Hα-helixtrans-64.7-40.6174.1-72-172.9-65.900112.2F309 D338 E339 A345 S346F309-M342 HydrophobicContact CD1-CB 4.44Å; D338-M342 WeakPolarHBondContact O-CB 3.24Å; D338-M342 WeakPolarHBondContact O-CG 3.38Å; D338-M342 PolarHBondContact O-N 2.99Å; E339-M342 PolarHBondContact O-N 3.4Å; M342-A345 PolarHBondContact O-N 3.44Å; M342-S346 VanDerWaalsContact O-CB 3.28Å; M342-S346 WeakPolarHBondContact O-CB 3.28Å; M342-S346 PolarHBondContact O-N 2.84Å; M342-S346 PolarHBondContact O-OG 2.81Å
343A92.9Very high90.2Very high0 Ų058.5 Ų58.50%033%0.333CS..Hα-helixtrans-62.1-45.4173.900000111.6I288 F306 F309 M334 E339 A340 S346 L347I288-A343 HydrophobicContact CD1-CB 4.43Å; F306-A343 HydrophobicContact CD1-CB 3.77Å; F306-A343 HydrophobicContact CE1-CB 3.93Å; F309-A343 HydrophobicContact CB-CB 3.71Å; F309-A343 HydrophobicContact CD1-CB 4.31Å; F309-A343 HydrophobicContact CD2-CB 4.13Å; F309-A343 HydrophobicContact CG-CB 3.79Å; M334-A343 HydrophobicContact CE-CB 4.48Å; M334-A343 HydrophobicContact SD-CB 3.94Å; E339-A343 WeakPolarHBondContact O-CB 3.19Å; E339-A343 PolarHBondContact O-N 2.96Å; A340-A343 PolarHBondContact O-N 2.84Å; A343-S346 PolarHBondContact O-N 3.1Å; A343-L347 HydrophobicContact CB-CD1 4.48Å; A343-L347 WeakPolarHBondContact O-CB 3.31Å; A343-L347 WeakPolarHBondContact O-CG 3.43Å; A343-L347 PolarHBondContact O-N 2.77Å
344I93.5Very high90Very high24 Ų2464.7 Ų64.712%0.12337%0.366CS..Hα-helixtrans-59-50.6174.2-74.3160000110.8I288 A340 A341 S346 L347 N348 V359 F361I288-I344 HydrophobicContact CD1-CG1 4.31Å; I288-I344 HydrophobicContact CG1-CD1 4.24Å; I288-I344 HydrophobicContact CG1-CG1 4.4Å; I288-I344 HydrophobicContact CG2-CD1 4.31Å; I288-I344 HydrophobicContact CG2-CG1 3.88Å; A340-I344 WeakPolarHBondContact O-CB 3.49Å; A340-I344 WeakPolarHBondContact O-CD1 3.49Å; A340-I344 VanDerWaalsContact O-CG1 3.24Å; A340-I344 WeakPolarHBondContact O-CG1 3.35Å; A340-I344 PolarHBondContact O-N 3.37Å; A341-I344 PolarHBondContact O-N 3.5Å; I344-S346 PolarHBondContact O-N 3.27Å; I344-L347 PolarHBondContact O-N 3.3Å; I344-N348 WeakPolarHBondContact O-CB 3.34Å; I344-N348 PolarHBondContact O-N 3.28Å; I344-V359 HydrophobicContact CB-CG1 4.48Å; I344-V359 HydrophobicContact CG1-CG1 3.97Å; I344-F361 HydrophobicContact CD1-CB 4.37Å; I344-F361 HydrophobicContact CD1-CD1 3.61Å; I344-F361 HydrophobicContact CD1-CD2 3.51Å; I344-F361 HydrophobicContact CD1-CE1 3.64Å; I344-F361 HydrophobicContact CD1-CE2 3.54Å; I344-F361 HydrophobicContact CD1-CG 3.54Å; I344-F361 HydrophobicContact CD1-CZ 3.6Å
345A91.6Very high89.9Confident80 Ų8069.3 Ų69.366%0.66138%0.383SS*.Hα-helixtrans-62.3-29.4-177.600000113.3A341 M342A341-A345 WeakPolarHBondContact O-CB 3.35Å; A341-A345 PolarHBondContact O-N 2.95Å; M342-A345 PolarHBondContact O-N 3.44Å
346S90.9Very high90.1Very high67 Ų6769.1 Ų69.147%0.46938%0.382SS..Hα-helixtrans-96.4-25.2-175.7-54.30000113.9F309 M342 A343 I344F309-S346 WeakPolarHBondContact CE1-OG 3.46Å; F309-S346 VanDerWaalsContact CZ-CB 3.46Å; M342-S346 VanDerWaalsContact O-CB 3.28Å; M342-S346 WeakPolarHBondContact O-CB 3.28Å; M342-S346 PolarHBondContact O-N 2.84Å; M342-S346 PolarHBondContact O-OG 2.81Å; A343-S346 PolarHBondContact O-N 3.1Å; I344-S346 PolarHBondContact O-N 3.27Å
347L92.6Very high90.2Very high7 Ų765.6 Ų65.64%0.03736%0.363CS..Hα-helixtrans-104.5-17.1-177.5-61.4173.1000113.6L305 F306 F309 A343 I344 G349 Y350 V359L305-L347 HydrophobicContact CB-CD1 4.31Å; L305-L347 HydrophobicContact CB-CD2 4.45Å; L305-L347 HydrophobicContact CD2-CD2 4.21Å; F306-L347 HydrophobicContact CD1-CD1 3.84Å; F306-L347 HydrophobicContact CD2-CD1 3.77Å; F306-L347 HydrophobicContact CE1-CD1 3.66Å; F306-L347 HydrophobicContact CE2-CD1 3.61Å; F306-L347 HydrophobicContact CG-CD1 3.89Å; F306-L347 HydrophobicContact CZ-CD1 3.55Å; F309-L347 HydrophobicContact CD2-CD1 4.16Å; F309-L347 HydrophobicContact CE2-CD1 3.87Å; F309-L347 HydrophobicContact CE2-CD2 4.01Å; F309-L347 HydrophobicContact CE2-CG 3.88Å; F309-L347 HydrophobicContact CZ-CD2 4.42Å; F309-L347 HydrophobicContact CZ-CG 4.28Å; A343-L347 HydrophobicContact CB-CD1 4.48Å; A343-L347 WeakPolarHBondContact O-CB 3.31Å; A343-L347 WeakPolarHBondContact O-CG 3.43Å; A343-L347 PolarHBondContact O-N 2.77Å; I344-L347 PolarHBondContact O-N 3.3Å; L347-G349 PolarHBondContact O-N 3.05Å; L347-Y350 HydrophobicContact CD2-CD2 4.33Å; L347-Y350 HydrophobicContact CD2-CG 4.29Å; L347-Y350 WeakPolarHBondContact O-CB 3.33Å; L347-Y350 PolarHBondContact O-N 3.49Å; L347-V359 HydrophobicContact CB-CG2 3.96Å; L347-V359 WeakPolarHBondContact O-CG2 3.37Å
348N91.6Very high90.4Very high89 Ų8966.9 Ų66.948%0.47637%0.372SS..THydrogen-bonded Turntrans-70.6114.8171.6-170.838.8000109.9I344 Q358 V359I344-N348 WeakPolarHBondContact O-CB 3.34Å; I344-N348 PolarHBondContact O-N 3.28Å; N348-Q358 WeakPolarHBondContact OD1-CA 3.35Å; N348-V359 HydrophobicContact CB-CB 4Å; N348-V359 WeakPolarHBondContact CB-O 3.09Å; N348-V359 PolarHBondContact OD1-N 3.38Å; N348-V359 PolarHBondContact OD1-O 3.47Å
349G89.3Confident90.6Very high44 Ų4461.8 Ų61.845%0.45435%0.345SS..THydrogen-bonded Turntrans94.2-1.2-169.900000114.6L347 L357L347-G349 PolarHBondContact O-N 3.05Å; G349-L357 WeakPolarHBondContact CA-O 3.39Å; G349-L357 PolarHBondContact N-O 2.83Å
350Y91.4Very high90.6Very high106 Ų10662.1 Ų62.142%0.41635%0.352SS..  trans-66.4138.2178.4-176.5-92.1000112L305 L347 L352 L357L305-Y350 HydrophobicContact CD2-CD1 4.18Å; L305-Y350 HydrophobicContact CD2-CE1 3.67Å; L347-Y350 HydrophobicContact CD2-CD2 4.33Å; L347-Y350 HydrophobicContact CD2-CG 4.29Å; L347-Y350 WeakPolarHBondContact O-CB 3.33Å; L347-Y350 PolarHBondContact O-N 3.49Å; Y350-L352 HydrophobicContact CD1-CB 4.44Å; Y350-L352 HydrophobicContact CE1-CB 4.48Å; Y350-L357 HydrophobicContact CD1-CD1 4.13Å; Y350-L357 PolarHBondContact O-N 3.29Å
351R90.2Very high90.7Very high170 Ų17065.2 Ų65.264%0.64237%0.366SS*.EExtended strand (participates in β ladder)trans-91110178.5-75.2179.3176.5-88.72.2111.3R355 V356R351-R355 CarbonylContact C-O 3.57Å; R351-R355 WeakPolarHBondContact CA-O 3.28Å; R351-V356 HydrophobicContact CG-CG2 4.01Å
352L85.1Confident90.5Very high38 Ų3868.9 Ų68.920%0.19938%0.376CS..EExtended strand (participates in β ladder)trans-104.989.8173.8-175.666.8000109.1L293 A297 V301 L305 Y350 R355 L357L293-L352 HydrophobicContact CD2-CD2 4.2Å; A297-L352 HydrophobicContact CB-CD2 4.35Å; V301-L352 HydrophobicContact CG1-CD1 3.83Å; V301-L352 HydrophobicContact CG1-CD2 3.88Å; L305-L352 HydrophobicContact CD1-CD1 4.48Å; Y350-L352 HydrophobicContact CD1-CB 4.44Å; Y350-L352 HydrophobicContact CE1-CB 4.48Å; L352-R355 PolarHBondContact N-O 3.11Å; L352-R355 PolarHBondContact O-N 2.93Å; L352-L357 HydrophobicContact CB-CD1 4.1Å; L352-L357 HydrophobicContact CB-CD2 4.02Å; L352-L357 HydrophobicContact CB-CG 3.99Å; L352-L357 HydrophobicContact CD2-CD1 4.31Å; L352-L357 HydrophobicContact CD2-CD2 4.12Å
353G83.7Confident89.7Confident69 Ų6969.8 Ų69.871%0.71139%0.388SS*.THydrogen-bonded Turntrans65.9-135-165.800000110.6R355G353-R355 PolarHBondContact O-N 3.46Å
354D85.8Confident87.8Confident154 Ų15474.7 Ų74.782%0.82442%0.422SS*.THydrogen-bonded Turntrans-69.3-20.3177.9-169.4-119.7000113.4
355R87.4Confident85.6Confident97 Ų9782.9 Ų82.937%0.36646%0.457SS..EExtended strand (participates in β ladder)trans-92.4135.4-173.1-67.9-178.8-177.8-105.6-0.9113.1N292 L293 R351 L352 G353N292-R355 WeakPolarHBondContact O-CB 3.48Å; N292-R355 WeakPolarHBondContact O-CD 3.06Å; N292-R355 PolarHBondContact OD1-NH1 2.89Å; L293-R355 WeakPolarHBondContact O-CD 3.45Å; R351-R355 CarbonylContact C-O 3.57Å; R351-R355 WeakPolarHBondContact CA-O 3.28Å; L352-R355 PolarHBondContact N-O 3.11Å; L352-R355 PolarHBondContact O-N 2.93Å; G353-R355 PolarHBondContact O-N 3.46Å
356V92.1Very high83.2Confident53 Ų5387.6 Ų87.632%0.32147%0.465SS..EExtended strand (participates in β ladder)trans-87.4116.9167.8179.40000108.9N292 R351N292-V356 WeakPolarHBondContact CB-O 3.34Å; N292-V356 PolarHBondContact ND2-O 2.89Å; R351-V356 HydrophobicContact CG-CG2 4.01Å
357L93.4Very high80.5Confident1 Ų193.4 Ų93.41%0.00549%0.485CS..PPolyproline II helixtrans-70.6142.1177.2-59.5-174.1000111.1L293 L305 G349 Y350 L352 V359L293-L357 HydrophobicContact CD2-CD2 3.79Å; L293-L357 HydrophobicContact CG-CD2 4.47Å; L305-L357 HydrophobicContact CD1-CD1 3.98Å; G349-L357 WeakPolarHBondContact CA-O 3.39Å; G349-L357 PolarHBondContact N-O 2.83Å; Y350-L357 HydrophobicContact CD1-CD1 4.13Å; Y350-L357 PolarHBondContact O-N 3.29Å; L352-L357 HydrophobicContact CB-CD1 4.1Å; L352-L357 HydrophobicContact CB-CD2 4.02Å; L352-L357 HydrophobicContact CB-CG 3.99Å; L352-L357 HydrophobicContact CD2-CD1 4.31Å; L352-L357 HydrophobicContact CD2-CD2 4.12Å; L357-V359 HydrophobicContact CB-CG2 4.28Å
358Q92.6Very high77.6Confident111 Ų111102.6 Ų102.652%0.51952%0.524SS..EExtended strand (participates in β ladder)trans-109.9126.7167.3-70.9178.6-15.200108.5V290 Y291 N348V290-Q358 WeakPolarHBondContact CA-O 3.2Å; Y291-Q358 PolarHBondContact N-O 2.9Å; Y291-Q358 PolarHBondContact O-N 2.88Å; N348-Q358 WeakPolarHBondContact OD1-CA 3.35Å
359V94.2Very high74.8Confident2 Ų2106 Ų1061%0.01257%0.565CS.*EExtended strand (participates in β ladder)trans-132.3128.3-172-173.10000109.2I288 F289 V290 F306 I344 L347 N348 L357I288-V359 HydrophobicContact CG2-CG1 3.46Å; I288-V359 VanDerWaalsContact CG2-CG1 3.46Å; F289-V359 WeakPolarHBondContact O-CA 3.49Å; V290-V359 HydrophobicContact CG1-CG2 4.27Å; V290-V359 HydrophobicContact CG2-CG1 4.41Å; F306-V359 HydrophobicContact CE1-CG1 4.15Å; F306-V359 HydrophobicContact CZ-CG1 3.78Å; I344-V359 HydrophobicContact CB-CG1 4.48Å; I344-V359 HydrophobicContact CG1-CG1 3.97Å; L347-V359 HydrophobicContact CB-CG2 3.96Å; L347-V359 WeakPolarHBondContact O-CG2 3.37Å; N348-V359 HydrophobicContact CB-CB 4Å; N348-V359 WeakPolarHBondContact CB-O 3.09Å; N348-V359 PolarHBondContact OD1-N 3.38Å; N348-V359 PolarHBondContact OD1-O 3.47Å; L357-V359 HydrophobicContact CB-CG2 4.28Å
360S91.6Very high74.1Confident54 Ų54109.2 Ų109.238%0.37857%0.571SS.*EExtended strand (participates in β ladder)trans-157.5163.1-177.160.10000112.1I288 F289 K362I288-S360 CarbonylContact C-O 3.59Å; I288-S360 WeakPolarHBondContact CA-O 3.35Å; I288-S360 WeakPolarHBondContact CG2-O 3.44Å; F289-S360 PolarHBondContact N-O 3.23Å; F289-S360 PolarHBondContact O-N 3.04Å; F289-S360 VanDerWaalsContact O-N 3.09Å; S360-K362 PolarHBondContact O-N 3.03Å
361F92.4Very high73.1Confident66 Ų66109.3 Ų109.329%0.28958%0.579SS.*EExtended strand (participates in β ladder)trans-63.6135169.6-74.8-66.2000110.5W286 Y337 A340 A341 I344 T363W286-F361 HydrophobicContact CB-CE1 4.35Å; Y337-F361 HydrophobicContact CD2-CE1 4.22Å; Y337-F361 AromaticContact CD2-CZ 3.82Å; Y337-F361 HydrophobicContact CD2-CZ 3.82Å; Y337-F361 HydrophobicContact CE2-CE1 4.08Å; Y337-F361 AromaticContact CE2-CE2 3.75Å; Y337-F361 HydrophobicContact CE2-CE2 3.75Å; Y337-F361 AromaticContact CE2-CZ 3.4Å; Y337-F361 HydrophobicContact CE2-CZ 3.4Å; Y337-F361 VanDerWaalsContact CE2-CZ 3.4Å; A340-F361 HydrophobicContact CB-CE1 3.75Å; A340-F361 HydrophobicContact CB-CZ 4.14Å; A341-F361 HydrophobicContact CB-CE2 4.46Å; A341-F361 HydrophobicContact CB-CZ 4.22Å; I344-F361 HydrophobicContact CD1-CB 4.37Å; I344-F361 HydrophobicContact CD1-CD1 3.61Å; I344-F361 HydrophobicContact CD1-CD2 3.51Å; I344-F361 HydrophobicContact CD1-CE1 3.64Å; I344-F361 HydrophobicContact CD1-CE2 3.54Å; I344-F361 HydrophobicContact CD1-CG 3.54Å; I344-F361 HydrophobicContact CD1-CZ 3.6Å; F361-T363 PolarHBondContact O-N 3.42Å
362K85.3Confident72.2Confident107 Ų107105.9 Ų105.947%0.46558%0.575SS.*  trans-65.6107.8178.3178.5-175.5175179.70110C287 F289 F331 S360 S364C287-K362 HydrophobicContact CB-CB 4.15Å; C287-K362 HydrophobicContact CB-CD 4.06Å; C287-K362 VanDerWaalsContact O-CB 3.23Å; C287-K362 WeakPolarHBondContact O-CB 3.41Å; C287-K362 PolarHBondContact O-N 2.81Å; C287-K362 WeakPolarHBondContact SG-CD 3.47Å; F289-K362 HydrophobicContact CB-CB 4.43Å; F331-K362 HydrophobicContact CD1-CD 3.9Å; F331-K362 HydrophobicContact CD1-CG 4.45Å; F331-K362 HydrophobicContact CE1-CD 3.88Å; F331-K362 HydrophobicContact CE1-CG 4.21Å; S360-K362 PolarHBondContact O-N 3.03Å; K362-S364 PolarHBondContact O-N 2.9Å; K362-S364 VanDerWaalsContact O-N 3.17Å
363T77Confident71.4Confident127 Ų127109.9 Ų109.978%0.77960%0.598SS**  trans-64.9116172.149.20000110.1F361 K365F361-T363 PolarHBondContact O-N 3.42Å; T363-K365 PolarHBondContact O-N 3.49Å
364S53Low70.7Confident103 Ų103112.5 Ų112.572%0.7259%0.59SS**  trans-74.1111.7169.9-169.70000108.3K362 Q366K362-S364 PolarHBondContact O-N 2.9Å; K362-S364 VanDerWaalsContact O-N 3.17Å; S364-Q366 VanDerWaalsContact C-N 3.27Å; S364-Q366 PolarHBondContact O-N 2.97Å
365K46.3Very low69.7Low196 Ų196109.7 Ų109.785%0.85258%0.575SS**  trans-66.592.6165.2-74-170.1177.3-174.70108T363 H367T363-K365 PolarHBondContact O-N 3.49Å; K365-H367 PolarHBondContact O-N 2.88Å
366Q41Very low68.4Low179 Ų179110.6 Ų110.684%0.83659%0.59SS**  trans-53.4125.1157.6-70.6-174.6-4.800106.8S364 K368S364-Q366 VanDerWaalsContact C-N 3.27Å; S364-Q366 PolarHBondContact O-N 2.97Å; Q366-K368 PolarHBondContact O-N 3.24Å
367H34.2Very low66.6Low189 Ų189115.1 Ų115.188%0.87561%0.61SS**  trans-65.2110.6174.9-128.8-89.5000106.5K365 A369K365-H367 PolarHBondContact O-N 2.88Å; H367-A369 PolarHBondContact O-N 3.38Å
368K33.2Very low64.3Low199 Ų199124.6 Ų124.687%0.86566%0.661SS**  trans-64.2122.3169.6-165.2178.1-178.9-1750106.3Q366Q366-K368 PolarHBondContact O-N 3.24Å
369A31.5Very low61.8Low162 Ų162125.8 Ų125.8100%1.33967%0.674SS**  trans-67.90176.200000110.8H367H367-A369 PolarHBondContact O-N 3.38Å

Retrieved 369 of 369 residues in 537.4 ms (Link to these results)