A0A087Y4M0_POEFO Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A087Y4M0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 314 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1T40.3Very low33Very low193 Ų193151.6 Ų151.6100%1.18477%0.769SS**  098.105.30000107.5S3T1-S3 PolarHBondContact O-N 3.48Å
2H25.8Very low33.3Very low192 Ų192152.7 Ų152.789%0.88977%0.768SS**  trans-79.8111.4-178.8-86.3-93.6000109.3H4H2-H4 PolarHBondContact O-N 3.16Å
3S31.3Very low33.4Very low103 Ų103147.3 Ų147.372%0.7276%0.762SS**  trans-90.888.9166.650.40000108.5T1 I5T1-S3 PolarHBondContact O-N 3.48Å; S3-I5 PolarHBondContact O-N 3.41Å; S3-I5 VanDerWaalsContact O-N 3.1Å
4H32.4Very low33.8Very low184 Ų184149.3 Ų149.385%0.85277%0.766SS**  trans-71.694.5167-139-83.4000107.1H2 S6H2-H4 PolarHBondContact O-N 3.16Å; H4-S6 PolarHBondContact O-N 2.71Å
5I33.6Very low33.8Very low143 Ų143143.3 Ų143.373%0.73374%0.742SS**  trans-87.4103.7168.6-65172.7000105.2S3 S7S3-I5 PolarHBondContact O-N 3.41Å; S3-I5 VanDerWaalsContact O-N 3.1Å; I5-S7 PolarHBondContact O-N 3.47Å
6S31.9Very low33.7Very low53 Ų53146.9 Ų146.937%0.37174%0.744SS.*  trans-53.2126.4174.9173.20000109.6H4 E8H4-S6 PolarHBondContact O-N 2.71Å; S6-E8 PolarHBondContact O-N 3.37Å; S6-E8 WeakPolarHBondContact OG-CB 3.27Å; S6-E8 WeakPolarHBondContact OG-CG 3.27Å; S6-E8 PolarHBondContact OG-N 2.84Å; S6-E8 PolarHBondContact OG-OE2 3.45Å; S6-E8 VanDerWaalsContact OG-OE2 3.09Å
7S36.6Very low34.2Very low103 Ų103148.6 Ų148.672%0.7276%0.755SS**G310 helixtrans-72.70.3174.648.30000113.3I5 W9I5-S7 PolarHBondContact O-N 3.47Å; S7-W9 VanDerWaalsContact C-N 3.3Å; S7-W9 PolarHBondContact O-N 3.35Å
8E37Very low34.5Very low148 Ų148151.7 Ų151.769%0.69276%0.756SS**G310 helixtrans-76.2-12.8-177.2-67.6170.9144.500114S6S6-E8 PolarHBondContact O-N 3.37Å; S6-E8 WeakPolarHBondContact OG-CB 3.27Å; S6-E8 WeakPolarHBondContact OG-CG 3.27Å; S6-E8 PolarHBondContact OG-N 2.84Å; S6-E8 PolarHBondContact OG-OE2 3.45Å; S6-E8 VanDerWaalsContact OG-OE2 3.09Å
9W33Very low35Very low208 Ų208148.8 Ų148.879%0.78875%0.752SS**G310 helixtrans-91.5-3.6-177.1-86.264.6000114.8S7S7-W9 VanDerWaalsContact C-N 3.3Å; S7-W9 PolarHBondContact O-N 3.35Å
10R31.7Very low35.5Very low202 Ų202145.5 Ų145.576%0.76275%0.749SS**SBendtrans-99.6-15.3-178.2-125.5-178.7-76.6-160.7-1114.3
11D29.8Very low36.2Very low139 Ų139145.3 Ų145.374%0.74375%0.754SS**THydrogen-bonded Turntrans-84.7-12.3175-70.6-17000113.1
12E36.4Very low37.1Very low164 Ų164142.2 Ų142.277%0.76673%0.726SS**THydrogen-bonded Turntrans-84.7-10.6174.9-72.7-168.9156.800114
13A34.9Very low38.9Very low83 Ų83139.8 Ų139.869%0.68672%0.716SS**SBendtrans-100.4-10-174.300000114.6
14E38.2Very low41.2Very low175 Ų175137.4 Ų137.482%0.81869%0.693SS**SBendtrans-131.470.3178.8-74.1-172.416700111.3
15S34.2Very low43.5Very low59 Ų59129.5 Ų129.541%0.41366%0.66SS.*SBendtrans-166.4102.2163.2-113.50000115.2
16W31.5Very low46.1Very low202 Ų202126.4 Ų126.477%0.76565%0.647SS**  trans7899.3154.4-43.4-60.3000116.8R18W16-R18 WeakPolarHBondContact O-CG 3.3Å; W16-R18 PolarHBondContact O-N 2.95Å
17N42.3Very low48.7Very low176 Ų176125.9 Ų125.994%0.94164%0.64SS**  -18.484128.2-135.31.7000111.9
18R39.5Very low51.2Low204 Ų204126 Ų12677%0.7765%0.647SS**  trans-90.9122171.2-74.2-176.9-175.2-149.40.7106.4W16 A20W16-R18 WeakPolarHBondContact O-CG 3.3Å; W16-R18 PolarHBondContact O-N 2.95Å; R18-A20 PolarHBondContact O-N 2.91Å
19S44.8Very low53.6Low96 Ų96120.4 Ų120.467%0.67162%0.623SS**  trans-46.387.4165.4-42.60000109.9V21S19-V21 PolarHBondContact O-N 3.27Å
20A45Very low56.2Low83 Ų83113.6 Ų113.669%0.68660%0.6SS**  trans-72101.1177.700000106.6R18 Q22R18-A20 PolarHBondContact O-N 2.91Å; A20-Q22 VanDerWaalsContact C-N 3.33Å; A20-Q22 PolarHBondContact O-N 3.41Å
21V51Low58.6Low141 Ų141108.8 Ų108.886%0.85559%0.586SS**  trans-59.1101167.7177.90000106.5S19S19-V21 PolarHBondContact O-N 3.27Å
22Q58.9Low60.4Low128 Ų128106.1 Ų106.160%0.59858%0.576SS**  trans-91114.5-179-156.4165.719.900108.1A20 K24A20-Q22 VanDerWaalsContact C-N 3.33Å; A20-Q22 PolarHBondContact O-N 3.41Å; Q22-K24 PolarHBondContact O-N 2.87Å
23M62.1Low61.9Low141 Ų141101.8 Ų101.870%0.69558%0.576SS**  trans-61.1132.6175.3-67-171.6-135.300109.5M46M23-M46 HydrophobicContact CB-CE 3.34Å; M23-M46 HydrophobicContact CB-SD 3.84Å; M23-M46 HydrophobicContact CG-CE 4.19Å; M23-M46 HydrophobicContact SD-CE 3.79Å
24K79.5Confident63.6Low54 Ų5499.7 Ų99.724%0.23556%0.562CS.*EExtended strand (participates in β ladder)trans-131.1150.2172.675.3-175.7-172-179.30110Q22 L40 L41 W42 S297Q22-K24 PolarHBondContact O-N 2.87Å; K24-L40 HydrophobicContact CD-CD2 4.32Å; K24-L41 WeakPolarHBondContact CA-O 3.41Å; K24-L41 WeakPolarHBondContact CB-O 3.16Å; K24-W42 HydrophobicContact CB-CD2 4.24Å; K24-W42 HydrophobicContact CB-CE3 3.82Å; K24-W42 HydrophobicContact CB-CH2 4.3Å; K24-W42 HydrophobicContact CB-CZ3 3.85Å; K24-W42 HydrophobicContact CD-CE3 4.44Å; K24-W42 HydrophobicContact CD-CH2 3.39Å; K24-W42 HydrophobicContact CD-CZ2 3.92Å; K24-W42 HydrophobicContact CD-CZ3 3.67Å; K24-W42 HydrophobicContact CG-CH2 4.46Å; K24-W42 HydrophobicContact CG-CZ3 4.33Å; K24-S297 PolarHBondContact NZ-OG 2.84Å
25A82.3Confident65.5Low18 Ų1896.7 Ų96.715%0.14955%0.548CS..EExtended strand (participates in β ladder)trans-118140.3167.700000109.4L40 L41 M46 L49A25-L40 WeakPolarHBondContact O-CA 3.41Å; A25-L41 HydrophobicContact CB-CB 4.44Å; A25-L41 PolarHBondContact N-O 2.78Å; A25-L41 VanDerWaalsContact N-O 3.09Å; A25-L41 PolarHBondContact O-N 2.59Å; A25-M46 HydrophobicContact CB-SD 4.39Å; A25-L49 HydrophobicContact CB-CD1 3.55Å; A25-L49 HydrophobicContact CB-CD2 3.88Å; A25-L49 HydrophobicContact CB-CG 4.2Å
26V87.6Confident67.9Low77 Ų7799.3 Ų99.347%0.46755%0.554SS.*EExtended strand (participates in β ladder)trans-110125.3176.8-172.90000107.9A38 L39 L40V26-A38 HydrophobicContact CG1-CB 4.11Å; V26-L39 CarbonylContact C-O 3.53Å; V26-L39 WeakPolarHBondContact CA-O 3.49Å; V26-L40 HydrophobicContact CG2-CG 4.3Å
27L87.1Confident70.5Confident43 Ų4390 Ų9023%0.22552%0.521CS..EExtended strand (participates in β ladder)trans-115.4133.5177.8-62.3174.5000109.3V29 L39 L41 L49 F52L27-V29 PolarHBondContact O-N 3.43Å; L27-L39 HydrophobicContact CB-CB 4.23Å; L27-L39 HydrophobicContact CD1-CD2 4.18Å; L27-L39 PolarHBondContact N-O 2.62Å; L27-L39 PolarHBondContact O-N 3.05Å; L27-L41 HydrophobicContact CD1-CD1 3.7Å; L27-L41 HydrophobicContact CD1-CG 4.29Å; L27-L41 HydrophobicContact CG-CD1 4.43Å; L27-L49 HydrophobicContact CD1-CD2 4.15Å; L27-L49 HydrophobicContact CD2-CD2 3.78Å; L27-L49 HydrophobicContact CG-CD2 4.23Å; L27-F52 HydrophobicContact CD1-CD2 3.54Å; L27-F52 HydrophobicContact CD1-CE2 3.51Å
28A88Confident72.7Confident104 Ų10482.5 Ų82.586%0.8648%0.483SS*.EExtended strand (participates in β ladder)trans-71.5124.6165.100000108.5
29V88.7Confident75.2Confident31 Ų3172.8 Ų72.819%0.18845%0.446CS..EExtended strand (participates in β ladder)trans-122.5149175-65.20000109.7L27 Q36 G37 L39 F62 L78L27-V29 PolarHBondContact O-N 3.43Å; V29-Q36 CarbonylContact O-C 3.37Å; V29-Q36 WeakPolarHBondContact O-CA 3.49Å; V29-G37 WeakPolarHBondContact CG2-O 3.36Å; V29-G37 PolarHBondContact N-O 3.15Å; V29-G37 PolarHBondContact O-N 2.89Å; V29-L39 HydrophobicContact CG1-CB 3.68Å; V29-L39 HydrophobicContact CG1-CD2 3.98Å; V29-L39 HydrophobicContact CG1-CG 4.5Å; V29-L39 HydrophobicContact CG2-CB 4.05Å; V29-F62 HydrophobicContact CG1-CE2 4.42Å; V29-L78 HydrophobicContact CG2-CD1 3.84Å
30Q86.3Confident77.4Confident65 Ų6568.4 Ų68.430%0.30442%0.415SS..EExtended strand (participates in β ladder)trans-128.3139.7178.4-164.6161.16.700109.4G34 Q35 Q36 F99 W103Q30-G34 PolarHBondContact NE2-O 3.37Å; Q30-Q35 CarbonylContact C-O 3.59Å; Q30-Q35 WeakPolarHBondContact CA-O 3.34Å; Q30-Q35 WeakPolarHBondContact CG-O 3.27Å; Q30-Q36 HydrophobicContact CG-CG 4.25Å; Q30-F99 WeakPolarHBondContact O-CE2 3.46Å; Q30-W103 HydrophobicContact CB-CZ3 4.28Å; Q30-W103 VanDerWaalsContact CD-CZ3 3.46Å; Q30-W103 HydrophobicContact CG-CZ3 4.16Å
31Q81.7Confident79.5Confident102 Ų10264.5 Ų64.548%0.47738%0.383SS..  trans-101.5162.1176.5-69.9-172.2-5400111G33 G34 Q35Q31-G33 PolarHBondContact O-N 3.23Å; Q31-G34 PolarHBondContact O-N 2.91Å; Q31-G34 VanDerWaalsContact O-N 3.12Å; Q31-Q35 PolarHBondContact N-O 2.99Å
32P69.3Low81Confident83 Ų8360.9 Ų60.954%0.53935%0.354SS..THydrogen-bonded Turntrans-52.7132170-20.930.3000110.6F99P32-F99 HydrophobicContact CG-CB 4.31Å; P32-F99 HydrophobicContact CG-CD2 3.94Å
33G66.7Low82.2Confident73 Ų7356.4 Ų56.475%0.75334%0.343SS*.THydrogen-bonded Turntrans98-1.8-175.100000114.6Q31Q31-G33 PolarHBondContact O-N 3.23Å
34G71.1Confident83.1Confident39 Ų3955.1 Ų55.140%0.40234%0.342SS..SBendtrans92.4-4.117000000114.7Q30 Q31 Q36Q30-G34 PolarHBondContact NE2-O 3.37Å; Q31-G34 PolarHBondContact O-N 2.91Å; Q31-G34 VanDerWaalsContact O-N 3.12Å; G34-Q36 PolarHBondContact O-N 3.32Å
35Q78.8Confident83.4Confident111 Ų11152.7 Ų52.752%0.51933%0.332SS..  trans-60.8125176.3-176.3175.4-400110.6Q30 Q31Q30-Q35 CarbonylContact C-O 3.59Å; Q30-Q35 WeakPolarHBondContact CA-O 3.34Å; Q30-Q35 WeakPolarHBondContact CG-O 3.27Å; Q31-Q35 PolarHBondContact N-O 2.99Å
36Q84.4Confident83.6Confident115 Ų11554 Ų5454%0.53734%0.336SS..EExtended strand (participates in β ladder)trans-97.7151.8177.8-67-178.3-21.300110.4V29 Q30 G34 L75V29-Q36 CarbonylContact O-C 3.37Å; V29-Q36 WeakPolarHBondContact O-CA 3.49Å; Q30-Q36 HydrophobicContact CG-CG 4.25Å; G34-Q36 PolarHBondContact O-N 3.32Å; Q36-L75 HydrophobicContact CB-CD2 3.91Å
37G85.1Confident83.7Confident7 Ų756.1 Ų56.17%0.07235%0.345CS..EExtended strand (participates in β ladder)trans-151164.6174.700000111.3V29 T76V29-G37 WeakPolarHBondContact CG2-O 3.36Å; V29-G37 PolarHBondContact N-O 3.15Å; V29-G37 PolarHBondContact O-N 2.89Å; G37-T76 WeakPolarHBondContact CA-O 3.5Å
38A89.3Confident83.8Confident17 Ų1755.8 Ų55.814%0.1434%0.341CS..EExtended strand (participates in β ladder)trans-104.4116.9175.100000109.3V26 L40 T76 E77 L78V26-A38 HydrophobicContact CG1-CB 4.11Å; A38-L40 HydrophobicContact CB-CD1 4.44Å; A38-L40 WeakPolarHBondContact O-CD1 3.46Å; A38-T76 PolarHBondContact N-O 2.94Å; A38-E77 CarbonylContact O-C 3.41Å; A38-E77 WeakPolarHBondContact O-CA 3.33Å; A38-L78 PolarHBondContact O-N 2.7Å
39L91.4Very high83.8Confident1 Ų153.3 Ų53.31%0.00531%0.313CS..EExtended strand (participates in β ladder)trans-92.9114.1174173.467.7000110V26 L27 V29 L41 F62 L65 L78V26-L39 CarbonylContact C-O 3.53Å; V26-L39 WeakPolarHBondContact CA-O 3.49Å; L27-L39 HydrophobicContact CB-CB 4.23Å; L27-L39 HydrophobicContact CD1-CD2 4.18Å; L27-L39 PolarHBondContact N-O 2.62Å; L27-L39 PolarHBondContact O-N 3.05Å; V29-L39 HydrophobicContact CG1-CB 3.68Å; V29-L39 HydrophobicContact CG1-CD2 3.98Å; V29-L39 HydrophobicContact CG1-CG 4.5Å; V29-L39 HydrophobicContact CG2-CB 4.05Å; L39-L41 HydrophobicContact CD1-CD2 4.26Å; L39-L41 HydrophobicContact CD2-CD2 4.01Å; L39-L41 HydrophobicContact CG-CD2 3.94Å; L39-F62 HydrophobicContact CD2-CD1 3.68Å; L39-F62 HydrophobicContact CD2-CD2 4.4Å; L39-F62 HydrophobicContact CD2-CE1 3.23Å; L39-F62 HydrophobicContact CD2-CE2 4.03Å; L39-F62 HydrophobicContact CD2-CG 4.24Å; L39-F62 HydrophobicContact CD2-CZ 3.44Å; L39-F62 VanDerWaalsContact CD2-CZ 3.44Å; L39-L65 HydrophobicContact CD1-CD1 3.89Å; L39-L65 HydrophobicContact CD1-CD2 3.82Å; L39-L78 CarbonylContact C-O 3.59Å; L39-L78 VanDerWaalsContact CA-O 3.3Å; L39-L78 WeakPolarHBondContact CA-O 3.36Å; L39-L78 HydrophobicContact CD1-CB 4.1Å; L39-L78 WeakPolarHBondContact CD1-O 3.33Å
40L90.6Very high83.7Confident4 Ų455.9 Ų55.92%0.02133%0.33CS..EExtended strand (participates in β ladder)trans-95.6115.2176.4-64.290.1000109.8K24 A25 V26 A38 W42 E77 L78 S80K24-L40 HydrophobicContact CD-CD2 4.32Å; A25-L40 WeakPolarHBondContact O-CA 3.41Å; V26-L40 HydrophobicContact CG2-CG 4.3Å; A38-L40 HydrophobicContact CB-CD1 4.44Å; A38-L40 WeakPolarHBondContact O-CD1 3.46Å; L40-W42 HydrophobicContact CB-CZ2 4.25Å; L40-W42 HydrophobicContact CD2-CZ2 3.77Å; L40-E77 HydrophobicContact CD1-CB 3.81Å; L40-E77 HydrophobicContact CD1-CG 4.02Å; L40-L78 PolarHBondContact N-O 3.35Å; L40-S80 PolarHBondContact O-N 2.87Å; L40-S80 PolarHBondContact O-OG 3.05Å
41L88.9Confident83.9Confident0 Ų058 Ų580%034%0.335CS..EExtended strand (participates in β ladder)trans-94.2128.1174.1-55.8179.5000109.9K24 A25 L27 L39 A45 W48 L49 F52 S80K24-L41 WeakPolarHBondContact CA-O 3.41Å; K24-L41 WeakPolarHBondContact CB-O 3.16Å; A25-L41 HydrophobicContact CB-CB 4.44Å; A25-L41 PolarHBondContact N-O 2.78Å; A25-L41 VanDerWaalsContact N-O 3.09Å; A25-L41 PolarHBondContact O-N 2.59Å; L27-L41 HydrophobicContact CD1-CD1 3.7Å; L27-L41 HydrophobicContact CD1-CG 4.29Å; L27-L41 HydrophobicContact CG-CD1 4.43Å; L39-L41 HydrophobicContact CD1-CD2 4.26Å; L39-L41 HydrophobicContact CD2-CD2 4.01Å; L39-L41 HydrophobicContact CG-CD2 3.94Å; L41-A45 HydrophobicContact CB-CB 4.13Å; L41-A45 HydrophobicContact CD2-CB 4.18Å; L41-W48 HydrophobicContact CD2-CE3 3.69Å; L41-W48 HydrophobicContact CD2-CZ3 3.9Å; L41-L49 HydrophobicContact CD1-CD2 3.9Å; L41-L49 HydrophobicContact CD1-CG 4.06Å; L41-F52 HydrophobicContact CD1-CE2 3.96Å; L41-S80 WeakPolarHBondContact CA-OG 3.43Å
42W83.9Confident84.2Confident65 Ų6554.3 Ų54.325%0.24632%0.318CS..EExtended strand (participates in β ladder)trans-118.7139.2-176.8-58.894.1000110.6K24 L40 T44 A45 H79 S80K24-W42 HydrophobicContact CB-CD2 4.24Å; K24-W42 HydrophobicContact CB-CE3 3.82Å; K24-W42 HydrophobicContact CB-CH2 4.3Å; K24-W42 HydrophobicContact CB-CZ3 3.85Å; K24-W42 HydrophobicContact CD-CE3 4.44Å; K24-W42 HydrophobicContact CD-CH2 3.39Å; K24-W42 HydrophobicContact CD-CZ2 3.92Å; K24-W42 HydrophobicContact CD-CZ3 3.67Å; K24-W42 HydrophobicContact CG-CH2 4.46Å; K24-W42 HydrophobicContact CG-CZ3 4.33Å; L40-W42 HydrophobicContact CB-CZ2 4.25Å; L40-W42 HydrophobicContact CD2-CZ2 3.77Å; W42-T44 PolarHBondContact O-N 3.07Å; W42-A45 WeakPolarHBondContact O-CB 3.49Å; W42-A45 PolarHBondContact O-N 3.29Å; W42-A45 VanDerWaalsContact O-N 3.08Å; W42-H79 AromaticContact CE2-ND1 3.75Å; W42-H79 AromaticContact CZ2-ND1 3.7Å; W42-H79 AromaticContact NE1-CG 3.81Å; W42-H79 AromaticContact NE1-ND1 3.24Å; W42-H79 PolarHBondContact NE1-ND1 3.37Å; W42-S80 PolarHBondContact N-OG 2.89Å
43G83.8Confident84.7Confident35 Ų3554.3 Ų54.336%0.36132%0.32SS..G310 helixtrans54.8-123.3172.300000112.9A45 M46G43-A45 PolarHBondContact O-N 2.96Å; G43-M46 WeakPolarHBondContact O-CB 3.4Å; G43-M46 WeakPolarHBondContact O-CG 3.22Å; G43-M46 PolarHBondContact O-N 3.02Å; G43-M46 VanDerWaalsContact O-N 3.09Å
44T81.4Confident85.5Confident113 Ų11358.7 Ų58.769%0.69332%0.318SS*.G310 helixtrans-63.6-20.1-17854.40000113.9W42 M46 D47W42-T44 PolarHBondContact O-N 3.07Å; T44-M46 PolarHBondContact O-N 2.87Å; T44-D47 WeakPolarHBondContact O-CB 3.48Å; T44-D47 PolarHBondContact O-N 3.09Å
45A85.9Confident86Confident3 Ų361.1 Ų61.13%0.02532%0.319CS..G310 helixtrans-66.5-17175.200000112.5L41 W42 G43 D47 W48 S80L41-A45 HydrophobicContact CB-CB 4.13Å; L41-A45 HydrophobicContact CD2-CB 4.18Å; W42-A45 WeakPolarHBondContact O-CB 3.49Å; W42-A45 PolarHBondContact O-N 3.29Å; W42-A45 VanDerWaalsContact O-N 3.08Å; G43-A45 PolarHBondContact O-N 2.96Å; A45-D47 PolarHBondContact O-N 3.12Å; A45-W48 HydrophobicContact CB-CD2 4.23Å; A45-W48 HydrophobicContact CB-CE3 4.18Å; A45-W48 HydrophobicContact CB-CH2 4.14Å; A45-W48 HydrophobicContact CB-CZ2 4.16Å; A45-W48 HydrophobicContact CB-CZ3 4.14Å; A45-W48 VanDerWaalsContact O-CB 3.31Å; A45-W48 WeakPolarHBondContact O-CB 3.49Å; A45-W48 PolarHBondContact O-N 3.03Å; A45-W48 VanDerWaalsContact O-N 3.16Å; A45-S80 WeakPolarHBondContact CB-OG 3.45Å
46M86.5Confident86Confident46 Ų4663.1 Ų63.123%0.22733%0.326CS..G310 helixtrans-64.6-22.6174.5-65.3-140.5-53.100113.4M23 A25 G43 T44 W48 L49M23-M46 HydrophobicContact CB-CE 3.34Å; M23-M46 HydrophobicContact CB-SD 3.84Å; M23-M46 HydrophobicContact CG-CE 4.19Å; M23-M46 HydrophobicContact SD-CE 3.79Å; A25-M46 HydrophobicContact CB-SD 4.39Å; G43-M46 WeakPolarHBondContact O-CB 3.4Å; G43-M46 WeakPolarHBondContact O-CG 3.22Å; G43-M46 PolarHBondContact O-N 3.02Å; G43-M46 VanDerWaalsContact O-N 3.09Å; T44-M46 PolarHBondContact O-N 2.87Å; M46-W48 PolarHBondContact O-N 3.33Å; M46-L49 HydrophobicContact CB-CD1 4.38Å; M46-L49 WeakPolarHBondContact O-CB 3.49Å; M46-L49 WeakPolarHBondContact O-CG 3.37Å; M46-L49 PolarHBondContact O-N 3.27Å; M46-L49 VanDerWaalsContact O-N 3.08Å
47D87.9Confident85.8Confident122 Ų12265.4 Ų65.465%0.65234%0.342SS*.G310 helixtrans-64-8.7175.2-65.7-25.7000112.7T44 A45 P50T44-D47 WeakPolarHBondContact O-CB 3.48Å; T44-D47 PolarHBondContact O-N 3.09Å; A45-D47 PolarHBondContact O-N 3.12Å; D47-P50 WeakPolarHBondContact O-CD 3.25Å
48W90.6Very high85.9Confident36 Ų3666.6 Ų66.614%0.13635%0.351CS..G310 helixtrans-82.1-23.9176.3-52.4-10.6000113L41 A45 M46 P50 R51 F52 F62 V86L41-W48 HydrophobicContact CD2-CE3 3.69Å; L41-W48 HydrophobicContact CD2-CZ3 3.9Å; A45-W48 HydrophobicContact CB-CD2 4.23Å; A45-W48 HydrophobicContact CB-CE3 4.18Å; A45-W48 HydrophobicContact CB-CH2 4.14Å; A45-W48 HydrophobicContact CB-CZ2 4.16Å; A45-W48 HydrophobicContact CB-CZ3 4.14Å; A45-W48 VanDerWaalsContact O-CB 3.31Å; A45-W48 WeakPolarHBondContact O-CB 3.49Å; A45-W48 PolarHBondContact O-N 3.03Å; A45-W48 VanDerWaalsContact O-N 3.16Å; M46-W48 PolarHBondContact O-N 3.33Å; W48-P50 VanDerWaalsContact C-CD 3.49Å; W48-R51 WeakPolarHBondContact O-CA 3.44Å; W48-R51 VanDerWaalsContact O-CB 3.27Å; W48-R51 WeakPolarHBondContact O-CB 3.39Å; W48-R51 PolarHBondContact O-N 3.25Å; W48-F52 HydrophobicContact CB-CE1 4.34Å; W48-F52 HydrophobicContact CB-CE2 3.59Å; W48-F52 HydrophobicContact CB-CZ 3.47Å; W48-F52 VanDerWaalsContact CB-CZ 3.47Å; W48-F52 HydrophobicContact CE3-CZ 4.26Å; W48-F52 HydrophobicContact CG-CZ 4.41Å; W48-F52 WeakPolarHBondContact O-CD2 3.46Å; W48-F52 PolarHBondContact O-N 3.45Å; W48-F62 HydrophobicContact CE3-CE1 4.46Å; W48-F62 HydrophobicContact CZ3-CD1 4.29Å; W48-V86 HydrophobicContact CB-CG1 4.08Å; W48-V86 HydrophobicContact CD2-CB 4.06Å; W48-V86 HydrophobicContact CD2-CG1 3.3Å; W48-V86 HydrophobicContact CE3-CB 3.85Å; W48-V86 HydrophobicContact CE3-CG1 3.6Å; W48-V86 HydrophobicContact CG-CG1 3.52Å; W48-V86 HydrophobicContact CH2-CB 4.34Å; W48-V86 HydrophobicContact CH2-CG1 4.44Å; W48-V86 HydrophobicContact CZ2-CG1 4.23Å; W48-V86 HydrophobicContact CZ3-CB 4Å; W48-V86 HydrophobicContact CZ3-CG1 4.17Å
49L88.1Confident85.9Confident51 Ų5167 Ų6727%0.26735%0.351SS..Hα-helixtrans-54.8-43.1-177-67.9165.9000114.1A25 L27 L41 M46 R51 F52 S53A25-L49 HydrophobicContact CB-CD1 3.55Å; A25-L49 HydrophobicContact CB-CD2 3.88Å; A25-L49 HydrophobicContact CB-CG 4.2Å; L27-L49 HydrophobicContact CD1-CD2 4.15Å; L27-L49 HydrophobicContact CD2-CD2 3.78Å; L27-L49 HydrophobicContact CG-CD2 4.23Å; L41-L49 HydrophobicContact CD1-CD2 3.9Å; L41-L49 HydrophobicContact CD1-CG 4.06Å; M46-L49 HydrophobicContact CB-CD1 4.38Å; M46-L49 WeakPolarHBondContact O-CB 3.49Å; M46-L49 WeakPolarHBondContact O-CG 3.37Å; M46-L49 PolarHBondContact O-N 3.27Å; M46-L49 VanDerWaalsContact O-N 3.08Å; L49-R51 PolarHBondContact O-N 2.95Å; L49-F52 HydrophobicContact CD2-CD2 4.42Å; L49-F52 PolarHBondContact O-N 2.97Å; L49-S53 PolarHBondContact O-N 2.67Å; L49-S53 VanDerWaalsContact O-N 3.14Å; L49-S53 PolarHBondContact O-OG 3.04Å; L49-S53 VanDerWaalsContact O-OG 3.13Å
50P86.5Confident86Confident86 Ų8668.9 Ų68.956%0.55836%0.359SS*.Hα-helixtrans-62.4-30.8176.1-22.535.2000112.8D47 W48 S53 K54D47-P50 WeakPolarHBondContact O-CD 3.25Å; W48-P50 VanDerWaalsContact C-CD 3.49Å; P50-S53 PolarHBondContact O-N 3.02Å; P50-K54 WeakPolarHBondContact O-CB 3.22Å; P50-K54 PolarHBondContact O-N 2.76Å
51R89.1Confident86Confident108 Ų10869.8 Ų69.841%0.40836%0.363SS..Hα-helixtrans-69.5-41.9179.5-57.5176.164.8-169.5-0.8111.1W48 L49 S53 K54 H55 W60 V86W48-R51 WeakPolarHBondContact O-CA 3.44Å; W48-R51 VanDerWaalsContact O-CB 3.27Å; W48-R51 WeakPolarHBondContact O-CB 3.39Å; W48-R51 PolarHBondContact O-N 3.25Å; L49-R51 PolarHBondContact O-N 2.95Å; R51-S53 VanDerWaalsContact C-N 3.33Å; R51-K54 PolarHBondContact O-N 3.47Å; R51-H55 PolarHBondContact O-N 2.82Å; R51-H55 VanDerWaalsContact O-N 3.08Å; R51-W60 HydrophobicContact CB-CH2 3.87Å; R51-V86 PolarHBondContact NH1-O 3.24Å
52F88.3Confident86.2Confident26 Ų2672.1 Ų72.111%0.11437%0.373CS..Hα-helixtrans-63.9-41.4176-52.3-36.9000111.5L27 L41 W48 L49 K54 H55 K56 W60 F62 V86L27-F52 HydrophobicContact CD1-CD2 3.54Å; L27-F52 HydrophobicContact CD1-CE2 3.51Å; L41-F52 HydrophobicContact CD1-CE2 3.96Å; W48-F52 HydrophobicContact CB-CE1 4.34Å; W48-F52 HydrophobicContact CB-CE2 3.59Å; W48-F52 HydrophobicContact CB-CZ 3.47Å; W48-F52 VanDerWaalsContact CB-CZ 3.47Å; W48-F52 HydrophobicContact CE3-CZ 4.26Å; W48-F52 HydrophobicContact CG-CZ 4.41Å; W48-F52 WeakPolarHBondContact O-CD2 3.46Å; W48-F52 PolarHBondContact O-N 3.45Å; L49-F52 HydrophobicContact CD2-CD2 4.42Å; L49-F52 PolarHBondContact O-N 2.97Å; F52-K54 VanDerWaalsContact C-N 3.31Å; F52-K54 PolarHBondContact O-N 3.49Å; F52-H55 CarbonylContact O-C 3.58Å; F52-H55 PolarHBondContact O-N 2.82Å; F52-K56 PolarHBondContact O-N 3.23Å; F52-W60 AromaticContact CD1-CD2 3.71Å; F52-W60 HydrophobicContact CD1-CD2 3.71Å; F52-W60 AromaticContact CD1-CE2 3.46Å; F52-W60 VanDerWaalsContact CD1-CE2 3.46Å; F52-W60 HydrophobicContact CD1-CE3 4.14Å; F52-W60 HydrophobicContact CD1-CG 4.17Å; F52-W60 HydrophobicContact CD1-CH2 4.07Å; F52-W60 AromaticContact CD1-CZ2 3.64Å; F52-W60 HydrophobicContact CD1-CZ2 3.64Å; F52-W60 HydrophobicContact CD1-CZ3 4.31Å; F52-W60 AromaticContact CD1-NE1 3.81Å; F52-W60 AromaticContact CE1-CD2 3.7Å; F52-W60 HydrophobicContact CE1-CD2 3.7Å; F52-W60 AromaticContact CE1-CE2 3.96Å; F52-W60 AromaticContact CE1-CE3 3.79Å; F52-W60 HydrophobicContact CE1-CE3 3.79Å; F52-W60 HydrophobicContact CE1-CG 4.14Å; F52-W60 HydrophobicContact CE1-CH2 4.32Å; F52-W60 HydrophobicContact CE1-CZ2 4.24Å; F52-W60 HydrophobicContact CE1-CZ3 4.11Å; F52-F62 HydrophobicContact CE1-CE1 4.13Å; F52-F62 HydrophobicContact CE1-CZ 4.07Å; F52-F62 HydrophobicContact CE2-CE1 4.46Å; F52-F62 AromaticContact CZ-CE1 3.64Å; F52-F62 HydrophobicContact CZ-CE1 3.64Å; F52-F62 AromaticContact CZ-CZ 3.91Å; F52-F62 HydrophobicContact CZ-CZ 3.91Å; F52-V86 HydrophobicContact CE1-CG2 3.8Å; F52-V86 HydrophobicContact CZ-CG1 4.36Å; F52-V86 HydrophobicContact CZ-CG2 4Å
53S80.8Confident86.6Confident83 Ų8374 Ų7458%0.5838%0.381SS*.Hα-helixtrans-65.6-34.2177.9-58.30000112.7L49 P50 R51 K56L49-S53 PolarHBondContact O-N 2.67Å; L49-S53 VanDerWaalsContact O-N 3.14Å; L49-S53 PolarHBondContact O-OG 3.04Å; L49-S53 VanDerWaalsContact O-OG 3.13Å; P50-S53 PolarHBondContact O-N 3.02Å; R51-S53 VanDerWaalsContact C-N 3.33Å; S53-K56 WeakPolarHBondContact O-CG 3.4Å
54K82.6Confident86.9Confident164 Ų16476.6 Ų76.671%0.71339%0.389SS*.Hα-helixtrans-75.2-33.3178.4-174179177.3-175.70113P50 R51 F52P50-K54 WeakPolarHBondContact O-CB 3.22Å; P50-K54 PolarHBondContact O-N 2.76Å; R51-K54 PolarHBondContact O-N 3.47Å; F52-K54 VanDerWaalsContact C-N 3.31Å; F52-K54 PolarHBondContact O-N 3.49Å
55H81.8Confident87.4Confident90 Ų9073.2 Ų73.242%0.41737%0.367SS..  trans-123.866.7-176.4-55.6-78000110.5R51 F52 D57 A58 W60R51-H55 PolarHBondContact O-N 2.82Å; R51-H55 VanDerWaalsContact O-N 3.08Å; F52-H55 CarbonylContact O-C 3.58Å; F52-H55 PolarHBondContact O-N 2.82Å; H55-D57 PolarHBondContact O-N 3.32Å; H55-A58 HydrophobicContact CB-CB 3.91Å; H55-A58 WeakPolarHBondContact O-CB 3.23Å; H55-A58 PolarHBondContact O-N 3.33Å; H55-W60 HydrophobicContact CB-CZ2 3.93Å
56K78.3Confident87.5Confident153 Ų15376.9 Ų76.967%0.66539%0.385SS*.THydrogen-bonded Turntrans-62.3-30.8-176.5-66.6-169.3174.1-167.90113.4F52 S53 A58F52-K56 PolarHBondContact O-N 3.23Å; S53-K56 WeakPolarHBondContact O-CG 3.4Å; K56-A58 VanDerWaalsContact C-N 3.34Å
57D80.8Confident87.6Confident163 Ų16379 Ų7987%0.87240%0.401SS*.THydrogen-bonded Turntrans-90.30.3-177.4-51-46000113.2H55H55-D57 PolarHBondContact O-N 3.32Å
58A87Confident87.3Confident32 Ų3280.2 Ų80.226%0.26440%0.396SS..  trans-81141.3-179.700000111.5H55 K56 W60 A88H55-A58 HydrophobicContact CB-CB 3.91Å; H55-A58 WeakPolarHBondContact O-CB 3.23Å; H55-A58 PolarHBondContact O-N 3.33Å; K56-A58 VanDerWaalsContact C-N 3.34Å; A58-W60 HydrophobicContact CB-CZ2 4.32Å; A58-W60 PolarHBondContact O-NE1 3.41Å; A58-A88 HydrophobicContact CB-CB 4.3Å
59V90.1Very high86.7Confident25 Ų2587.1 Ų87.115%0.15243%0.43CS..  trans-84.6129.6167.2-175.70000108.4L89 A96 F99 L100V59-L89 HydrophobicContact CB-CB 4.49Å; V59-L89 HydrophobicContact CB-CD1 4.46Å; V59-L89 HydrophobicContact CG1-CD1 3.95Å; V59-L89 WeakPolarHBondContact O-CB 3.35Å; V59-L89 PolarHBondContact O-N 3.41Å; V59-A96 HydrophobicContact CB-CB 4.25Å; V59-A96 HydrophobicContact CG2-CB 4.3Å; V59-F99 HydrophobicContact CG1-CB 4.31Å; V59-F99 HydrophobicContact CG1-CD1 4.05Å; V59-F99 HydrophobicContact CG1-CG 4.15Å; V59-F99 HydrophobicContact CG2-CD1 3.63Å; V59-F99 HydrophobicContact CG2-CE1 4.22Å; V59-F99 HydrophobicContact CG2-CG 4.42Å; V59-L100 HydrophobicContact CG2-CG 4.4Å
60W92.4Very high85.5Confident42 Ų4285.6 Ų85.616%0.15943%0.426CS..EExtended strand (participates in β ladder)trans-106.5134.2-175.1-63.992.7000111.8R51 F52 H55 A58 F62 V86 A88R51-W60 HydrophobicContact CB-CH2 3.87Å; F52-W60 AromaticContact CD1-CD2 3.71Å; F52-W60 HydrophobicContact CD1-CD2 3.71Å; F52-W60 AromaticContact CD1-CE2 3.46Å; F52-W60 VanDerWaalsContact CD1-CE2 3.46Å; F52-W60 HydrophobicContact CD1-CE3 4.14Å; F52-W60 HydrophobicContact CD1-CG 4.17Å; F52-W60 HydrophobicContact CD1-CH2 4.07Å; F52-W60 AromaticContact CD1-CZ2 3.64Å; F52-W60 HydrophobicContact CD1-CZ2 3.64Å; F52-W60 HydrophobicContact CD1-CZ3 4.31Å; F52-W60 AromaticContact CD1-NE1 3.81Å; F52-W60 AromaticContact CE1-CD2 3.7Å; F52-W60 HydrophobicContact CE1-CD2 3.7Å; F52-W60 AromaticContact CE1-CE2 3.96Å; F52-W60 AromaticContact CE1-CE3 3.79Å; F52-W60 HydrophobicContact CE1-CE3 3.79Å; F52-W60 HydrophobicContact CE1-CG 4.14Å; F52-W60 HydrophobicContact CE1-CH2 4.32Å; F52-W60 HydrophobicContact CE1-CZ2 4.24Å; F52-W60 HydrophobicContact CE1-CZ3 4.11Å; H55-W60 HydrophobicContact CB-CZ2 3.93Å; A58-W60 HydrophobicContact CB-CZ2 4.32Å; A58-W60 PolarHBondContact O-NE1 3.41Å; W60-F62 HydrophobicContact CB-CD2 4.22Å; W60-F62 HydrophobicContact CB-CE2 3.54Å; W60-F62 HydrophobicContact CB-CZ 3.84Å; W60-V86 HydrophobicContact CB-CG2 4.38Å; W60-V86 HydrophobicContact CD2-CG2 4.46Å; W60-V86 HydrophobicContact CE3-CG2 3.74Å; W60-V86 HydrophobicContact CZ3-CG2 4.43Å; W60-A88 HydrophobicContact CD2-CB 4.5Å; W60-A88 HydrophobicContact CE3-CB 4Å; W60-A88 HydrophobicContact CH2-CB 4.14Å; W60-A88 HydrophobicContact CZ3-CB 3.82Å
61D92.1Very high84.2Confident23 Ų2389.4 Ų89.412%0.12344%0.441CS..EExtended strand (participates in β ladder)trans-102.2106.6173.417522.1000108.7R63 V86 R87 L89 R95D61-R63 IonicContact OD1-NE 3.56Å; D61-R63 IonicContact OD2-CZ 3.49Å; D61-R63 IonicContact OD2-NE 3.2Å; D61-R63 PolarHBondContact OD2-NE 2.86Å; D61-R63 IonicContact OD2-NH2 3.65Å; D61-R63 PolarHBondContact OD2-NH2 3.35Å; D61-V86 WeakPolarHBondContact O-CA 3.22Å; D61-R87 HydrophobicContact CB-CG 3.85Å; D61-R87 PolarHBondContact N-O 3.38Å; D61-R87 PolarHBondContact O-N 2.92Å; D61-R87 IonicContact OD2-CZ 3.55Å; D61-R87 IonicContact OD2-NE 3.47Å; D61-R87 PolarHBondContact OD2-NE 3.08Å; D61-R87 IonicContact OD2-NH2 3.12Å; D61-R87 PolarHBondContact OD2-NH2 3.06Å; D61-L89 HydrophobicContact CB-CD1 4.36Å; D61-L89 HydrophobicContact CB-CD2 3.47Å; D61-L89 VanDerWaalsContact CB-CD2 3.47Å; D61-L89 HydrophobicContact CB-CG 3.88Å; D61-R95 VanDerWaalsContact CG-NH1 3.27Å; D61-R95 IonicContact OD1-NH1 2.76Å; D61-R95 IonicContact OD2-CZ 2.67Å; D61-R95 IonicContact OD2-NH1 3.58Å; D61-R95 PolarHBondContact OD2-NH1 3.25Å; D61-R95 IonicContact OD2-NH2 2.97Å
62F92.8Very high82.6Confident48 Ų4888.3 Ų88.321%0.21145%0.447CS..EExtended strand (participates in β ladder)trans-96.7136175.2-59.6-89000109.9V29 L39 W48 F52 W60 L65 S85 V86V29-F62 HydrophobicContact CG1-CE2 4.42Å; L39-F62 HydrophobicContact CD2-CD1 3.68Å; L39-F62 HydrophobicContact CD2-CD2 4.4Å; L39-F62 HydrophobicContact CD2-CE1 3.23Å; L39-F62 HydrophobicContact CD2-CE2 4.03Å; L39-F62 HydrophobicContact CD2-CG 4.24Å; L39-F62 HydrophobicContact CD2-CZ 3.44Å; L39-F62 VanDerWaalsContact CD2-CZ 3.44Å; W48-F62 HydrophobicContact CE3-CE1 4.46Å; W48-F62 HydrophobicContact CZ3-CD1 4.29Å; F52-F62 HydrophobicContact CE1-CE1 4.13Å; F52-F62 HydrophobicContact CE1-CZ 4.07Å; F52-F62 HydrophobicContact CE2-CE1 4.46Å; F52-F62 AromaticContact CZ-CE1 3.64Å; F52-F62 HydrophobicContact CZ-CE1 3.64Å; F52-F62 AromaticContact CZ-CZ 3.91Å; F52-F62 HydrophobicContact CZ-CZ 3.91Å; W60-F62 HydrophobicContact CB-CD2 4.22Å; W60-F62 HydrophobicContact CB-CE2 3.54Å; W60-F62 HydrophobicContact CB-CZ 3.84Å; F62-L65 HydrophobicContact CB-CD1 3.66Å; F62-L65 HydrophobicContact CB-CD2 4.42Å; F62-L65 HydrophobicContact CB-CG 4.18Å; F62-L65 HydrophobicContact CG-CD1 4.43Å; F62-S85 WeakPolarHBondContact CA-O 3.24Å; F62-V86 HydrophobicContact CD1-CB 3.97Å; F62-V86 HydrophobicContact CD1-CG2 3.54Å; F62-V86 HydrophobicContact CE1-CB 4.13Å; F62-V86 HydrophobicContact CE1-CG2 3.4Å; F62-V86 HydrophobicContact CG-CG2 4.25Å; F62-V86 HydrophobicContact CZ-CG2 4.01Å
63R91.6Very high81.4Confident105 Ų10589.4 Ų89.440%0.39646%0.457SS..EExtended strand (participates in β ladder)trans-125.9150.5-177.9-59.4-178.7177.1-145.3-8.1111.3D61 S84 S85 R87D61-R63 IonicContact OD1-NE 3.56Å; D61-R63 IonicContact OD2-CZ 3.49Å; D61-R63 IonicContact OD2-NE 3.2Å; D61-R63 PolarHBondContact OD2-NE 2.86Å; D61-R63 IonicContact OD2-NH2 3.65Å; D61-R63 PolarHBondContact OD2-NH2 3.35Å; R63-S84 WeakPolarHBondContact O-CA 3.38Å; R63-S84 WeakPolarHBondContact O-CB 3.24Å; R63-S85 PolarHBondContact N-O 2.86Å; R63-S85 PolarHBondContact O-N 3.07Å; R63-R87 VanDerWaalsContact NH2-CZ 3.31Å
64V90.4Very high80.9Confident89 Ų8993.9 Ų93.954%0.53948%0.475SS..EExtended strand (participates in β ladder)trans56.352.8174.9-1630000111.2T81 W83 S84V64-T81 PolarHBondContact O-OG1 2.89Å; V64-T81 VanDerWaalsContact O-OG1 3.05Å; V64-W83 HydrophobicContact CG1-CB 4.06Å; V64-S84 PolarHBondContact O-OG 2.97Å
65L91.6Very high80.6Confident42 Ų4289.1 Ų89.122%0.2246%0.457CS..EExtended strand (participates in β ladder)trans-91142.9173.1-59.6177.8000109.4L39 F62 L78 H79L39-L65 HydrophobicContact CD1-CD1 3.89Å; L39-L65 HydrophobicContact CD1-CD2 3.82Å; F62-L65 HydrophobicContact CB-CD1 3.66Å; F62-L65 HydrophobicContact CB-CD2 4.42Å; F62-L65 HydrophobicContact CB-CG 4.18Å; F62-L65 HydrophobicContact CG-CD1 4.43Å; L65-L78 HydrophobicContact CB-CB 4.5Å; L65-L78 HydrophobicContact CD1-CB 3.99Å; L65-L78 HydrophobicContact CD1-CD1 4.24Å; L65-H79 WeakPolarHBondContact CA-O 3.45Å
66L88.6Confident80.7Confident80 Ų8087 Ų8742%0.41945%0.45SS..EExtended strand (participates in β ladder)trans-85.5122.7169.1174.168.8000108.6R68 L78 H79 T81L66-R68 HydrophobicContact CD2-CG 4.44Å; L66-R68 HydrophobicContact CG-CG 4.35Å; L66-L78 CarbonylContact O-C 3.58Å; L66-H79 HydrophobicContact CB-CB 4.23Å; L66-H79 PolarHBondContact N-O 3.36Å; L66-H79 PolarHBondContact O-N 2.99Å; L66-T81 HydrophobicContact CB-CG2 3.94Å
67V88.8Confident81.2Confident90 Ų9080.8 Ų80.855%0.54542%0.423SS..EExtended strand (participates in β ladder)trans-90.9130.7177.9-172.80000109.2T76 E77 L78V67-T76 HydrophobicContact CG1-CG2 3.35Å; V67-E77 CarbonylContact C-O 3.57Å; V67-E77 WeakPolarHBondContact CA-O 3.44Å; V67-L78 HydrophobicContact CB-CD2 4.44Å; V67-L78 HydrophobicContact CG1-CD2 4.25Å; V67-L78 HydrophobicContact CG2-CD2 3.82Å
68R82.1Confident81.8Confident149 Ų14974.2 Ų74.256%0.56239%0.388SS*.EExtended strand (participates in β ladder)trans-132.5148.8172.6-69.8-171.1170.5-129.1-1.2110.1L66 E77L66-R68 HydrophobicContact CD2-CG 4.44Å; L66-R68 HydrophobicContact CG-CG 4.35Å; R68-E77 HydrophobicContact CB-CB 4.33Å; R68-E77 PolarHBondContact N-O 2.78Å; R68-E77 WeakPolarHBondContact O-CA 3.46Å; R68-E77 PolarHBondContact O-N 2.85Å
69E77.4Confident81.9Confident181 Ų18173.7 Ų73.785%0.84638%0.38SS*.EExtended strand (participates in β ladder)trans-77.8127.3165.3-68.5179.317600107.9
70G63.5Low81.9Confident18 Ų1873 Ų7319%0.18638%0.376CS..  trans-67.7133.4178.600000110.4T72 E77G70-T72 PolarHBondContact O-N 2.9Å; G70-E77 VanDerWaalsContact CA-OE1 3.32Å; G70-E77 WeakPolarHBondContact CA-OE1 3.39Å
71L57.8Low81.6Confident167 Ų16772.7 Ų72.787%0.87438%0.379SS*.SBendtrans-77-15.7174.6-65.8174.2000112.2
72T56.7Low81.1Confident85 Ų8577.2 Ų77.252%0.52141%0.41SS..SBendtrans-125.9-3.5-171.557.40000113.5G70G70-T72 PolarHBondContact O-N 2.9Å
73S62.5Low80.8Confident48 Ų4884.5 Ų84.534%0.33644%0.436SS..  trans-142.5139.7179.7-175.50000109.6L75S73-L75 PolarHBondContact O-N 3.07Å; S73-L75 VanDerWaalsContact O-N 3.11Å; S73-L75 WeakPolarHBondContact OG-CB 3.36Å; S73-L75 WeakPolarHBondContact OG-CG 3.17Å; S73-L75 PolarHBondContact OG-N 2.83Å
74D71.1Confident80.7Confident178 Ų17880.2 Ų80.295%0.95242%0.423SS*.SBendtrans-67.9-4.3171.4-58.7-32000112.4
75L74.9Confident80.7Confident63 Ų6378.6 Ų78.633%0.3342%0.415SS..SBendtrans-82.6142.8177.6-61.5178.6000111.3Q36 S73 E77Q36-L75 HydrophobicContact CB-CD2 3.91Å; S73-L75 PolarHBondContact O-N 3.07Å; S73-L75 VanDerWaalsContact O-N 3.11Å; S73-L75 WeakPolarHBondContact OG-CB 3.36Å; S73-L75 WeakPolarHBondContact OG-CG 3.17Å; S73-L75 PolarHBondContact OG-N 2.83Å; L75-E77 PolarHBondContact O-N 3.2Å
76T83.8Confident80.8Confident47 Ų4777.2 Ų77.229%0.28841%0.408SS..EExtended strand (participates in β ladder)trans-66.1124.3171.5-49.80000110.2G37 A38 V67 L78G37-T76 WeakPolarHBondContact CA-O 3.5Å; A38-T76 PolarHBondContact N-O 2.94Å; V67-T76 HydrophobicContact CG1-CG2 3.35Å; T76-L78 HydrophobicContact CG2-CD2 4.28Å
77E90.2Very high80.9Confident21 Ų2178.9 Ų78.910%0.09841%0.409CS..EExtended strand (participates in β ladder)trans-86.3129.8174.9-67.9-172.4-169.600110.2A38 L40 V67 R68 G70 L75 H79A38-E77 CarbonylContact O-C 3.41Å; A38-E77 WeakPolarHBondContact O-CA 3.33Å; L40-E77 HydrophobicContact CD1-CB 3.81Å; L40-E77 HydrophobicContact CD1-CG 4.02Å; V67-E77 CarbonylContact C-O 3.57Å; V67-E77 WeakPolarHBondContact CA-O 3.44Å; R68-E77 HydrophobicContact CB-CB 4.33Å; R68-E77 PolarHBondContact N-O 2.78Å; R68-E77 WeakPolarHBondContact O-CA 3.46Å; R68-E77 PolarHBondContact O-N 2.85Å; G70-E77 VanDerWaalsContact CA-OE1 3.32Å; G70-E77 WeakPolarHBondContact CA-OE1 3.39Å; L75-E77 PolarHBondContact O-N 3.2Å; E77-H79 WeakPolarHBondContact CB-NE2 3.43Å; E77-H79 IonicContact OE2-CE1 2.82Å; E77-H79 PolarHBondContact OE2-CE1 3.39Å; E77-H79 IonicContact OE2-NE2 3.59Å; E77-H79 PolarHBondContact OE2-NE2 3.4Å
78L91.7Very high81.1Confident26 Ų2676.8 Ų76.814%0.13640%0.401CS..EExtended strand (participates in β ladder)trans-117.2112.3179.1-55.6173.7000107.9V29 A38 L39 L40 L65 L66 V67 T76V29-L78 HydrophobicContact CG2-CD1 3.84Å; A38-L78 PolarHBondContact O-N 2.7Å; L39-L78 CarbonylContact C-O 3.59Å; L39-L78 VanDerWaalsContact CA-O 3.3Å; L39-L78 WeakPolarHBondContact CA-O 3.36Å; L39-L78 HydrophobicContact CD1-CB 4.1Å; L39-L78 WeakPolarHBondContact CD1-O 3.33Å; L40-L78 PolarHBondContact N-O 3.35Å; L65-L78 HydrophobicContact CB-CB 4.5Å; L65-L78 HydrophobicContact CD1-CB 3.99Å; L65-L78 HydrophobicContact CD1-CD1 4.24Å; L66-L78 CarbonylContact O-C 3.58Å; V67-L78 HydrophobicContact CB-CD2 4.44Å; V67-L78 HydrophobicContact CG1-CD2 4.25Å; V67-L78 HydrophobicContact CG2-CD2 3.82Å; T76-L78 HydrophobicContact CG2-CD2 4.28Å
79H90.2Very high81.5Confident20 Ų2070.6 Ų70.69%0.09338%0.379CS..EExtended strand (participates in β ladder)trans-102.5131.6-175.7-58.6-112.4000110.3W42 L65 L66 E77W42-H79 AromaticContact CE2-ND1 3.75Å; W42-H79 AromaticContact CZ2-ND1 3.7Å; W42-H79 AromaticContact NE1-CG 3.81Å; W42-H79 AromaticContact NE1-ND1 3.24Å; W42-H79 PolarHBondContact NE1-ND1 3.37Å; L65-H79 WeakPolarHBondContact CA-O 3.45Å; L66-H79 HydrophobicContact CB-CB 4.23Å; L66-H79 PolarHBondContact N-O 3.36Å; L66-H79 PolarHBondContact O-N 2.99Å; E77-H79 WeakPolarHBondContact CB-NE2 3.43Å; E77-H79 IonicContact OE2-CE1 2.82Å; E77-H79 PolarHBondContact OE2-CE1 3.39Å; E77-H79 IonicContact OE2-NE2 3.59Å; E77-H79 PolarHBondContact OE2-NE2 3.4Å
80S89.3Confident82Confident10 Ų1066.3 Ų66.37%0.0736%0.362CS..EExtended strand (participates in β ladder)trans-64.5140.6166.968.60000110.3L40 L41 W42 A45 S84L40-S80 PolarHBondContact O-N 2.87Å; L40-S80 PolarHBondContact O-OG 3.05Å; L41-S80 WeakPolarHBondContact CA-OG 3.43Å; W42-S80 PolarHBondContact N-OG 2.89Å; A45-S80 WeakPolarHBondContact CB-OG 3.45Å; S80-S84 WeakPolarHBondContact CA-OG 3.41Å
81T86.6Confident82.9Confident36 Ų3670.1 Ų70.122%0.22138%0.383CS..EExtended strand (participates in β ladder)trans-114.9166.6174.872.60000109.4V64 L66 W83 S84V64-T81 PolarHBondContact O-OG1 2.89Å; V64-T81 VanDerWaalsContact O-OG1 3.05Å; L66-T81 HydrophobicContact CB-CG2 3.94Å; T81-W83 PolarHBondContact O-N 3.14Å; T81-W83 PolarHBondContact OG1-N 3.49Å; T81-S84 PolarHBondContact N-OG 2.9Å; T81-S84 WeakPolarHBondContact O-CB 3.49Å; T81-S84 PolarHBondContact O-N 3.16Å; T81-S84 PolarHBondContact O-OG 2.96Å; T81-S84 PolarHBondContact OG1-N 3.45Å; T81-S84 PolarHBondContact OG1-OG 2.83Å
82P81.9Confident84.2Confident118 Ų11867.5 Ų67.577%0.76637%0.374SS*.EExtended strand (participates in β ladder)trans-57.5-19.1173.8-27.236.8000114.8
83W85.6Confident85.8Confident202 Ų20265.4 Ų65.477%0.76536%0.36SS*.EExtended strand (participates in β ladder)trans-101.12.3176.9-56-78.3000113.3V64 T81V64-W83 HydrophobicContact CG1-CB 4.06Å; T81-W83 PolarHBondContact O-N 3.14Å; T81-W83 PolarHBondContact OG1-N 3.49Å
84S90.8Very high86.9Confident15 Ų1572.2 Ų72.211%0.10538%0.379CS..EExtended strand (participates in β ladder)trans-67.1146.2177.7-62.60000111.3R63 V64 S80 T81R63-S84 WeakPolarHBondContact O-CA 3.38Å; R63-S84 WeakPolarHBondContact O-CB 3.24Å; V64-S84 PolarHBondContact O-OG 2.97Å; S80-S84 WeakPolarHBondContact CA-OG 3.41Å; T81-S84 PolarHBondContact N-OG 2.9Å; T81-S84 WeakPolarHBondContact O-CB 3.49Å; T81-S84 PolarHBondContact O-N 3.16Å; T81-S84 PolarHBondContact O-OG 2.96Å; T81-S84 PolarHBondContact OG1-N 3.45Å; T81-S84 PolarHBondContact OG1-OG 2.83Å
85S89.3Confident87.6Confident55 Ų5568.4 Ų68.439%0.38535%0.351SS..EExtended strand (participates in β ladder)trans-136.5153.8173.355.20000110.7F62 R63F62-S85 WeakPolarHBondContact CA-O 3.24Å; R63-S85 PolarHBondContact N-O 2.86Å; R63-S85 PolarHBondContact O-N 3.07Å
86V93.3Very high88Confident13 Ų1365.5 Ų65.58%0.07934%0.336CS..EExtended strand (participates in β ladder)trans-133.4133.417870.70000111.2W48 R51 F52 W60 D61 F62W48-V86 HydrophobicContact CB-CG1 4.08Å; W48-V86 HydrophobicContact CD2-CB 4.06Å; W48-V86 HydrophobicContact CD2-CG1 3.3Å; W48-V86 HydrophobicContact CE3-CB 3.85Å; W48-V86 HydrophobicContact CE3-CG1 3.6Å; W48-V86 HydrophobicContact CG-CG1 3.52Å; W48-V86 HydrophobicContact CH2-CB 4.34Å; W48-V86 HydrophobicContact CH2-CG1 4.44Å; W48-V86 HydrophobicContact CZ2-CG1 4.23Å; W48-V86 HydrophobicContact CZ3-CB 4Å; W48-V86 HydrophobicContact CZ3-CG1 4.17Å; R51-V86 PolarHBondContact NH1-O 3.24Å; F52-V86 HydrophobicContact CE1-CG2 3.8Å; F52-V86 HydrophobicContact CZ-CG1 4.36Å; F52-V86 HydrophobicContact CZ-CG2 4Å; W60-V86 HydrophobicContact CB-CG2 4.38Å; W60-V86 HydrophobicContact CD2-CG2 4.46Å; W60-V86 HydrophobicContact CE3-CG2 3.74Å; W60-V86 HydrophobicContact CZ3-CG2 4.43Å; D61-V86 WeakPolarHBondContact O-CA 3.22Å; F62-V86 HydrophobicContact CD1-CB 3.97Å; F62-V86 HydrophobicContact CD1-CG2 3.54Å; F62-V86 HydrophobicContact CE1-CB 4.13Å; F62-V86 HydrophobicContact CE1-CG2 3.4Å; F62-V86 HydrophobicContact CG-CG2 4.25Å; F62-V86 HydrophobicContact CZ-CG2 4.01Å
87R92.4Very high88Confident115 Ų11566.5 Ų66.543%0.43434%0.339SS..EExtended strand (participates in β ladder)trans-137.1143173.567.6-177.2-172158.57.9111.1D61 R63D61-R87 HydrophobicContact CB-CG 3.85Å; D61-R87 PolarHBondContact N-O 3.38Å; D61-R87 PolarHBondContact O-N 2.92Å; D61-R87 IonicContact OD2-CZ 3.55Å; D61-R87 IonicContact OD2-NE 3.47Å; D61-R87 PolarHBondContact OD2-NE 3.08Å; D61-R87 IonicContact OD2-NH2 3.12Å; D61-R87 PolarHBondContact OD2-NH2 3.06Å; R63-R87 VanDerWaalsContact NH2-CZ 3.31Å
88A91.9Very high87.6Confident46 Ų4668.4 Ų68.438%0.3835%0.35SS..EExtended strand (participates in β ladder)trans-70135.2166.400000108A58 W60A58-A88 HydrophobicContact CB-CB 4.3Å; W60-A88 HydrophobicContact CD2-CB 4.5Å; W60-A88 HydrophobicContact CE3-CB 4Å; W60-A88 HydrophobicContact CH2-CB 4.14Å; W60-A88 HydrophobicContact CZ3-CB 3.82Å
89L90.8Very high87.1Confident18 Ų1868.9 Ų68.99%0.09435%0.351CS..PPolyproline II helixtrans-76.9144.7171.9-66-174.6000110.2V59 D61 D93 R95 A96V59-L89 HydrophobicContact CB-CB 4.49Å; V59-L89 HydrophobicContact CB-CD1 4.46Å; V59-L89 HydrophobicContact CG1-CD1 3.95Å; V59-L89 WeakPolarHBondContact O-CB 3.35Å; V59-L89 PolarHBondContact O-N 3.41Å; D61-L89 HydrophobicContact CB-CD1 4.36Å; D61-L89 HydrophobicContact CB-CD2 3.47Å; D61-L89 VanDerWaalsContact CB-CD2 3.47Å; D61-L89 HydrophobicContact CB-CG 3.88Å; L89-D93 HydrophobicContact CB-CB 4.48Å; L89-R95 HydrophobicContact CD1-CB 3.95Å; L89-A96 HydrophobicContact CB-CB 3.99Å; L89-A96 HydrophobicContact CD1-CB 4.22Å
90D87.3Confident86.5Confident92 Ų9271.1 Ų71.149%0.49236%0.363SS..PPolyproline II helixtrans-62.2135.6167.2-169.4-67.9000108.7T92 D93 A96D90-T92 PolarHBondContact O-N 3.32Å; D90-T92 WeakPolarHBondContact OD1-CA 3.36Å; D90-T92 VanDerWaalsContact OD1-CB 3.3Å; D90-T92 WeakPolarHBondContact OD1-CB 3.42Å; D90-T92 PolarHBondContact OD1-N 3.14Å; D90-T92 PolarHBondContact OD1-OG1 2.92Å; D90-D93 HydrophobicContact CB-CB 4.36Å; D90-D93 WeakPolarHBondContact O-CB 3.34Å; D90-D93 PolarHBondContact O-N 3.43Å; D90-A96 WeakPolarHBondContact O-CB 3.19Å
91P83.7Confident85.8Confident97 Ų9778 Ų7863%0.6339%0.388SS*.THydrogen-bonded Turntrans-56.2-23.3177.2-26.335000114.3L97P91-L97 WeakPolarHBondContact O-CD2 3.3Å
92T85.4Confident84.7Confident112 Ų11278.2 Ų78.269%0.68739%0.393SS*.THydrogen-bonded Turntrans-87.5-10.117668.90000113.4D90 R94D90-T92 PolarHBondContact O-N 3.32Å; D90-T92 WeakPolarHBondContact OD1-CA 3.36Å; D90-T92 VanDerWaalsContact OD1-CB 3.3Å; D90-T92 WeakPolarHBondContact OD1-CB 3.42Å; D90-T92 PolarHBondContact OD1-N 3.14Å; D90-T92 PolarHBondContact OD1-OG1 2.92Å; T92-R94 PolarHBondContact O-N 2.78Å
93D89.1Confident83.7Confident42 Ų4279.7 Ų79.723%0.22538%0.383CS..SBendtrans-60.9130.3174.8-172.6-43.2000109L89 D90 R95 A96 L97L89-D93 HydrophobicContact CB-CB 4.48Å; D90-D93 HydrophobicContact CB-CB 4.36Å; D90-D93 WeakPolarHBondContact O-CB 3.34Å; D90-D93 PolarHBondContact O-N 3.43Å; D93-R95 PolarHBondContact O-N 2.85Å; D93-R95 VanDerWaalsContact O-N 3.09Å; D93-R95 WeakPolarHBondContact OD1-CB 3.49Å; D93-R95 PolarHBondContact OD1-N 2.99Å; D93-R95 IonicContact OD1-NE 2.85Å; D93-R95 PolarHBondContact OD1-NE 2.85Å; D93-R95 IonicContact OD1-NH2 3.77Å; D93-R95 IonicContact OD2-CZ 3.82Å; D93-R95 IonicContact OD2-NE 3.36Å; D93-R95 PolarHBondContact OD2-NE 3.34Å; D93-R95 IonicContact OD2-NH2 3.45Å; D93-R95 PolarHBondContact OD2-NH2 3.11Å; D93-A96 HydrophobicContact CB-CB 4.39Å; D93-A96 WeakPolarHBondContact O-CB 3.49Å; D93-A96 PolarHBondContact O-N 2.88Å; D93-L97 PolarHBondContact O-N 3.3Å
94R86.1Confident82.2Confident191 Ų19180.1 Ų80.172%0.72139%0.385SS*.Hα-helixtrans-51.3-37.4179.7-177.2174172.3163.8-1.9112.3T92 L97 D98T92-R94 PolarHBondContact O-N 2.78Å; R94-L97 PolarHBondContact O-N 2.91Å; R94-D98 IonicContact NE-OD2 3.84Å; R94-D98 WeakPolarHBondContact O-CB 3.49Å; R94-D98 PolarHBondContact O-N 2.89Å
95R84.6Confident79.9Confident98 Ų9889 Ų8937%0.3742%0.416SS..Hα-helixtrans-67.5-38.9179-64.1174.6-66.41535.2112.4D61 L89 D93 F99D61-R95 VanDerWaalsContact CG-NH1 3.27Å; D61-R95 IonicContact OD1-NH1 2.76Å; D61-R95 IonicContact OD2-CZ 2.67Å; D61-R95 IonicContact OD2-NH1 3.58Å; D61-R95 PolarHBondContact OD2-NH1 3.25Å; D61-R95 IonicContact OD2-NH2 2.97Å; L89-R95 HydrophobicContact CD1-CB 3.95Å; D93-R95 PolarHBondContact O-N 2.85Å; D93-R95 VanDerWaalsContact O-N 3.09Å; D93-R95 WeakPolarHBondContact OD1-CB 3.49Å; D93-R95 PolarHBondContact OD1-N 2.99Å; D93-R95 IonicContact OD1-NE 2.85Å; D93-R95 PolarHBondContact OD1-NE 2.85Å; D93-R95 IonicContact OD1-NH2 3.77Å; D93-R95 IonicContact OD2-CZ 3.82Å; D93-R95 IonicContact OD2-NE 3.36Å; D93-R95 PolarHBondContact OD2-NE 3.34Å; D93-R95 IonicContact OD2-NH2 3.45Å; D93-R95 PolarHBondContact OD2-NH2 3.11Å; R95-F99 WeakPolarHBondContact O-CB 3.04Å; R95-F99 PolarHBondContact O-N 3Å
96A85.2Confident77.5Confident2 Ų293.1 Ų93.12%0.01744%0.442CS..Hα-helixtrans-67.9-43174.400000110.6V59 L89 D90 D93 D98 F99 L100V59-A96 HydrophobicContact CB-CB 4.25Å; V59-A96 HydrophobicContact CG2-CB 4.3Å; L89-A96 HydrophobicContact CB-CB 3.99Å; L89-A96 HydrophobicContact CD1-CB 4.22Å; D90-A96 WeakPolarHBondContact O-CB 3.19Å; D93-A96 HydrophobicContact CB-CB 4.39Å; D93-A96 WeakPolarHBondContact O-CB 3.49Å; D93-A96 PolarHBondContact O-N 2.88Å; A96-D98 VanDerWaalsContact C-N 3.34Å; A96-D98 PolarHBondContact O-N 2.83Å; A96-F99 PolarHBondContact O-N 3.29Å; A96-L100 WeakPolarHBondContact O-CB 3.31Å; A96-L100 VanDerWaalsContact O-CG 3.27Å; A96-L100 WeakPolarHBondContact O-CG 3.49Å; A96-L100 PolarHBondContact O-N 2.91Å
97L82.8Confident75Confident67 Ų6795 Ų9535%0.35146%0.464SS..Hα-helixtrans-61.9-40.3175.9-67174.8000112.5P91 D93 R94 R101P91-L97 WeakPolarHBondContact O-CD2 3.3Å; D93-L97 PolarHBondContact O-N 3.3Å; R94-L97 PolarHBondContact O-N 2.91Å; L97-R101 VanDerWaalsContact O-CB 3.27Å; L97-R101 WeakPolarHBondContact O-CB 3.19Å; L97-R101 VanDerWaalsContact O-CG 3.27Å; L97-R101 WeakPolarHBondContact O-CG 3.4Å; L97-R101 PolarHBondContact O-N 3.32Å; L97-R101 PolarHBondContact O-NE 3Å
98D81.5Confident72.5Confident61 Ų6195.7 Ų95.733%0.32648%0.484SS..Hα-helixtrans-70.2-40.5179.1-69.8-17.1000111R94 A96 R101 A102R94-D98 IonicContact NE-OD2 3.84Å; R94-D98 WeakPolarHBondContact O-CB 3.49Å; R94-D98 PolarHBondContact O-N 2.89Å; A96-D98 VanDerWaalsContact C-N 3.34Å; A96-D98 PolarHBondContact O-N 2.83Å; D98-R101 PolarHBondContact O-N 3.41Å; D98-R101 IonicContact OD1-CZ 3.47Å; D98-R101 IonicContact OD1-NE 3.85Å; D98-R101 IonicContact OD1-NH1 3.8Å; D98-R101 IonicContact OD1-NH2 3.48Å; D98-R101 PolarHBondContact OD1-NH2 3.38Å; D98-A102 PolarHBondContact O-N 2.83Å
99F80.9Confident70.1Confident36 Ų3698 Ų9816%0.15850%0.497CS..Hα-helixtrans-59.9-50.2171.9-178.3-97000111.7Q30 P32 V59 R95 A96 R101 A102 W103Q30-F99 WeakPolarHBondContact O-CE2 3.46Å; P32-F99 HydrophobicContact CG-CB 4.31Å; P32-F99 HydrophobicContact CG-CD2 3.94Å; V59-F99 HydrophobicContact CG1-CB 4.31Å; V59-F99 HydrophobicContact CG1-CD1 4.05Å; V59-F99 HydrophobicContact CG1-CG 4.15Å; V59-F99 HydrophobicContact CG2-CD1 3.63Å; V59-F99 HydrophobicContact CG2-CE1 4.22Å; V59-F99 HydrophobicContact CG2-CG 4.42Å; R95-F99 WeakPolarHBondContact O-CB 3.04Å; R95-F99 PolarHBondContact O-N 3Å; A96-F99 PolarHBondContact O-N 3.29Å; F99-R101 VanDerWaalsContact C-N 3.34Å; F99-R101 PolarHBondContact O-N 2.9Å; F99-A102 PolarHBondContact O-N 2.86Å; F99-W103 HydrophobicContact CE1-CE3 4.18Å; F99-W103 AromaticContact CZ-CE3 3.9Å; F99-W103 HydrophobicContact CZ-CE3 3.9Å; F99-W103 HydrophobicContact CZ-CZ3 4.14Å; F99-W103 WeakPolarHBondContact O-CB 3.46Å; F99-W103 PolarHBondContact O-N 3.09Å
100L79.3Confident67.9Low67 Ų67101.2 Ų101.235%0.35153%0.534SS..Hα-helixtrans-65.2-35.3178.8-69.6171.8000112.3V59 A96 W103 R104V59-L100 HydrophobicContact CG2-CG 4.4Å; A96-L100 WeakPolarHBondContact O-CB 3.31Å; A96-L100 VanDerWaalsContact O-CG 3.27Å; A96-L100 WeakPolarHBondContact O-CG 3.49Å; A96-L100 PolarHBondContact O-N 2.91Å; L100-W103 WeakPolarHBondContact O-CB 3.29Å; L100-W103 PolarHBondContact O-N 3.46Å; L100-R104 WeakPolarHBondContact O-CG 3.34Å; L100-R104 PolarHBondContact O-N 3.2Å
101R72.6Confident66Low155 Ų155101.8 Ų101.859%0.58554%0.541SS*.Hα-helixtrans-65-40.6173.7-84.2-177.4-106.3176.5-6112.1L97 D98 F99 W103 R104L97-R101 VanDerWaalsContact O-CB 3.27Å; L97-R101 WeakPolarHBondContact O-CB 3.19Å; L97-R101 VanDerWaalsContact O-CG 3.27Å; L97-R101 WeakPolarHBondContact O-CG 3.4Å; L97-R101 PolarHBondContact O-N 3.32Å; L97-R101 PolarHBondContact O-NE 3Å; D98-R101 PolarHBondContact O-N 3.41Å; D98-R101 IonicContact OD1-CZ 3.47Å; D98-R101 IonicContact OD1-NE 3.85Å; D98-R101 IonicContact OD1-NH1 3.8Å; D98-R101 IonicContact OD1-NH2 3.48Å; D98-R101 PolarHBondContact OD1-NH2 3.38Å; F99-R101 VanDerWaalsContact C-N 3.34Å; F99-R101 PolarHBondContact O-N 2.9Å; R101-W103 VanDerWaalsContact C-N 3.3Å; R101-R104 PolarHBondContact O-N 3.26Å
102A64.3Low64.8Low41 Ų4199.5 Ų99.534%0.33953%0.531SS..Hα-helixtrans-66.1-35173.200000111.8D98 F99D98-A102 PolarHBondContact O-N 2.83Å; F99-A102 PolarHBondContact O-N 2.86Å
103W60.5Low64Low148 Ų14898.1 Ų98.156%0.56152%0.519SS*.Hα-helixtrans-72-29177-162.9-88.7000114.2Q30 F99 L100 R101 R105Q30-W103 HydrophobicContact CB-CZ3 4.28Å; Q30-W103 VanDerWaalsContact CD-CZ3 3.46Å; Q30-W103 HydrophobicContact CG-CZ3 4.16Å; F99-W103 HydrophobicContact CE1-CE3 4.18Å; F99-W103 AromaticContact CZ-CE3 3.9Å; F99-W103 HydrophobicContact CZ-CE3 3.9Å; F99-W103 HydrophobicContact CZ-CZ3 4.14Å; F99-W103 WeakPolarHBondContact O-CB 3.46Å; F99-W103 PolarHBondContact O-N 3.09Å; L100-W103 WeakPolarHBondContact O-CB 3.29Å; L100-W103 PolarHBondContact O-N 3.46Å; R101-W103 VanDerWaalsContact C-N 3.3Å; W103-R105 PolarHBondContact O-N 2.98Å; W103-R105 VanDerWaalsContact O-N 3.16Å; W103-R105 VanDerWaalsContact O-O 3.04Å
104R53.8Low63.5Low212 Ų212100.8 Ų100.880%0.853%0.53SS*.THydrogen-bonded Turntrans-73.95.5179.6-79.4-174.4-170.9-146.84.7114.6L100 R101L100-R104 WeakPolarHBondContact O-CG 3.34Å; L100-R104 PolarHBondContact O-N 3.2Å; R101-R104 PolarHBondContact O-N 3.26Å
105R44.1Very low63.2Low201 Ų20193.4 Ų93.476%0.75850%0.504SS*.SBendtrans-72.7135.5161-67-176.5179.91760.6107.4W103 G107W103-R105 PolarHBondContact O-N 2.98Å; W103-R105 VanDerWaalsContact O-N 3.16Å; W103-R105 VanDerWaalsContact O-O 3.04Å; R105-G107 VanDerWaalsContact C-N 3.29Å; R105-G107 PolarHBondContact O-N 3.5Å
106P38.3Very low63.1Low141 Ų14192.6 Ų92.692%0.91651%0.507SS*.  trans-68.485.4-168.927.4-32.9000111.3
107G40.2Very low63.1Low54 Ų5492.6 Ų92.656%0.55751%0.507SS*.  trans-91.5152153.200000108.4R105 S109R105-G107 VanDerWaalsContact C-N 3.29Å; R105-G107 PolarHBondContact O-N 3.5Å; G107-S109 PolarHBondContact O-N 2.81Å; G107-S109 VanDerWaalsContact O-N 3.15Å
108P41.3Very low63.2Low129 Ų12992.1 Ų92.184%0.83851%0.505SS*.  trans-58.5126.4-16619.1-23.1000109.9
109S41.3Very low63.2Low94 Ų9491.4 Ų91.466%0.65750%0.503SS*.  trans-30147.6160.51570000111G107 T111G107-S109 PolarHBondContact O-N 2.81Å; G107-S109 VanDerWaalsContact O-N 3.15Å; S109-T111 PolarHBondContact O-N 2.86Å; S109-T111 PolarHBondContact O-OG1 3.26Å; S109-T111 VanDerWaalsContact O-OG1 3.05Å
110G43.6Very low63.4Low86 Ų8689.7 Ų89.789%0.88750%0.495SS*.SBendtrans-60.352.5177.300000115.6
111T47.9Very low63.5Low104 Ų10489.3 Ų89.364%0.63849%0.493SS*.  trans-67.4127.7155.947.10000106.7S109 L113S109-T111 PolarHBondContact O-N 2.86Å; S109-T111 PolarHBondContact O-OG1 3.26Å; S109-T111 VanDerWaalsContact O-OG1 3.05Å; T111-L113 PolarHBondContact O-N 3.46Å
112A57.6Low64Low49 Ų4985.6 Ų85.641%0.40549%0.491SS..  trans-47.2131169.100000109.1E114 E130A112-E114 PolarHBondContact O-N 3.48Å; A112-E130 HydrophobicContact CB-CB 4.44Å; A112-E130 HydrophobicContact CB-CG 3.67Å; A112-E130 VanDerWaalsContact CB-OE1 3.25Å; A112-E130 WeakPolarHBondContact CB-OE1 3.5Å
113L69.9Low64.8Low83 Ų8390.3 Ų90.344%0.43551%0.506SS..  trans-64.8109.3179.6-179.966.5000107.6T111 L115 Y125 V129 E130T111-L113 PolarHBondContact O-N 3.46Å; L113-L115 HydrophobicContact CD2-CD1 3.92Å; L113-L115 HydrophobicContact CD2-CG 4.25Å; L113-L115 HydrophobicContact CG-CD1 4.26Å; L113-L115 HydrophobicContact CG-CG 4.05Å; L113-Y125 HydrophobicContact CD2-CD2 4.43Å; L113-Y125 HydrophobicContact CD2-CE2 3.79Å; L113-V129 VanDerWaalsContact O-CG2 3.22Å; L113-V129 WeakPolarHBondContact O-CG2 3.3Å; L113-E130 PolarHBondContact O-N 3.18Å
114E78.3Confident65.6Low98 Ų9889.5 Ų89.546%0.45851%0.507SS..BIsolated β-bridgetrans-85.2118174.9-171176.317700108.4A112 R132A112-E114 PolarHBondContact O-N 3.48Å; E114-R132 IonicContact OE1-CZ 3.61Å; E114-R132 IonicContact OE1-NE 2.71Å; E114-R132 PolarHBondContact OE1-NE 3.26Å; E114-R132 IonicContact OE1-NH2 3.29Å; E114-R132 PolarHBondContact OE1-NH2 3.13Å; E114-R132 IonicContact OE2-NH2 3.98Å; E114-R132 PolarHBondContact OE2-NH2 3.1Å
115L79.1Confident66.7Low36 Ų3682.9 Ų82.919%0.18848%0.482CS..  trans-123.7146.8173.7-68.2173.3000109.5L113 T119 L120 Y125 V129 E130 L131L113-L115 HydrophobicContact CD2-CD1 3.92Å; L113-L115 HydrophobicContact CD2-CG 4.25Å; L113-L115 HydrophobicContact CG-CD1 4.26Å; L113-L115 HydrophobicContact CG-CG 4.05Å; L115-T119 HydrophobicContact CD2-CG2 4.02Å; L115-L120 HydrophobicContact CD1-CD1 4.07Å; L115-Y125 HydrophobicContact CD1-CG 4.36Å; L115-V129 HydrophobicContact CB-CG2 3.77Å; L115-V129 HydrophobicContact CD1-CG2 3.83Å; L115-V129 HydrophobicContact CG-CG2 3.91Å; L115-E130 PolarHBondContact N-O 3.02Å; L115-E130 VanDerWaalsContact N-O 3.07Å; L115-L131 HydrophobicContact CB-CD2 4.39Å; L115-L131 VanDerWaalsContact O-CD2 3.23Å; L115-L131 WeakPolarHBondContact O-CD2 3.42Å
116D83.7Confident68.4Low81 Ų8176 Ų7643%0.43347%0.465SS..  trans-73.5155.9162.668.259000110.4D118 T119 L120D116-D118 VanDerWaalsContact C-N 3.28Å; D116-D118 PolarHBondContact O-N 3.32Å; D116-D118 PolarHBondContact OD1-N 2.63Å; D116-T119 PolarHBondContact O-N 2.92Å; D116-T119 WeakPolarHBondContact OD1-CA 3.44Å; D116-T119 WeakPolarHBondContact OD1-CB 3.29Å; D116-T119 PolarHBondContact OD1-N 3.05Å; D116-T119 PolarHBondContact OD1-OG1 3.13Å; D116-T119 PolarHBondContact OD2-OG1 3.08Å; D116-L120 PolarHBondContact O-N 3.29Å
117L84.2Confident70.4Confident1 Ų170.3 Ų70.31%0.00543%0.431CS..Hα-helixtrans-61.4-37.3-176-179.862.9000112.3L120 L121 L131 P220 L222L117-L120 HydrophobicContact CD1-CD2 4.41Å; L117-L120 WeakPolarHBondContact O-CB 3.27Å; L117-L120 PolarHBondContact O-N 2.76Å; L117-L121 HydrophobicContact CD1-CD1 4.18Å; L117-L121 HydrophobicContact CD1-CG 4.26Å; L117-L121 HydrophobicContact CG-CD1 4.07Å; L117-L121 VanDerWaalsContact O-CG 3.29Å; L117-L121 WeakPolarHBondContact O-CG 3.35Å; L117-L121 PolarHBondContact O-N 2.89Å; L117-L121 VanDerWaalsContact O-N 3.09Å; L117-L131 HydrophobicContact CD1-CD1 4.31Å; L117-P220 HydrophobicContact CD2-CG 4.08Å; L117-P220 HydrophobicContact CG-CG 4.42Å; L117-L222 HydrophobicContact CD1-CB 4.04Å; L117-L222 HydrophobicContact CD1-CD2 3.62Å; L117-L222 HydrophobicContact CD1-CG 4.26Å; L117-L222 HydrophobicContact CD2-CB 4.17Å
118D84.1Confident72.5Confident57 Ų5772.3 Ų72.331%0.30543%0.426SS..Hα-helixtrans-68.4-39-176.9-59.9-63.7000110.8D116 S122 G218 P220D116-D118 VanDerWaalsContact C-N 3.28Å; D116-D118 PolarHBondContact O-N 3.32Å; D116-D118 PolarHBondContact OD1-N 2.63Å; D118-S122 WeakPolarHBondContact O-CB 3.19Å; D118-S122 PolarHBondContact O-N 3.39Å; D118-S122 PolarHBondContact O-OG 3.34Å; D118-G218 PolarHBondContact OD2-N 2.76Å; D118-G218 VanDerWaalsContact OD2-N 3.16Å; D118-P220 VanDerWaalsContact OD1-CD 3.29Å; D118-P220 WeakPolarHBondContact OD1-CD 3.36Å; D118-P220 WeakPolarHBondContact OD1-CG 3.16Å
119T83.2Confident74.6Confident46 Ų4666.2 Ų66.228%0.28239%0.387SS..Hα-helixtrans-67.7-43.4174.1-60.10000110.9L115 D116 L121 S122 Q123L115-T119 HydrophobicContact CD2-CG2 4.02Å; D116-T119 PolarHBondContact O-N 2.92Å; D116-T119 WeakPolarHBondContact OD1-CA 3.44Å; D116-T119 WeakPolarHBondContact OD1-CB 3.29Å; D116-T119 PolarHBondContact OD1-N 3.05Å; D116-T119 PolarHBondContact OD1-OG1 3.13Å; D116-T119 PolarHBondContact OD2-OG1 3.08Å; T119-L121 VanDerWaalsContact C-N 3.33Å; T119-L121 PolarHBondContact O-N 2.77Å; T119-S122 WeakPolarHBondContact CA-OG 3.49Å; T119-S122 PolarHBondContact O-N 2.74Å; T119-S122 PolarHBondContact O-OG 2.83Å; T119-S122 VanDerWaalsContact O-OG 3.05Å; T119-Q123 HydrophobicContact CG2-CG 3.9Å; T119-Q123 VanDerWaalsContact O-CB 3.24Å; T119-Q123 WeakPolarHBondContact O-CB 3.46Å; T119-Q123 WeakPolarHBondContact O-CG 3.45Å; T119-Q123 PolarHBondContact O-N 3.36Å
120L83.9Confident77Confident0 Ų063.9 Ų63.90%037%0.365CS..Hα-helixtrans-57.1-46.8176.6-174.977.5000112.4L115 D116 L117 K124 Y125 V129 L131 F304L115-L120 HydrophobicContact CD1-CD1 4.07Å; D116-L120 PolarHBondContact O-N 3.29Å; L117-L120 HydrophobicContact CD1-CD2 4.41Å; L117-L120 WeakPolarHBondContact O-CB 3.27Å; L117-L120 PolarHBondContact O-N 2.76Å; L120-K124 PolarHBondContact O-N 2.82Å; L120-Y125 HydrophobicContact CD1-CD1 3.75Å; L120-Y125 HydrophobicContact CD1-CG 4.16Å; L120-Y125 PolarHBondContact O-N 3.33Å; L120-V129 HydrophobicContact CD1-CB 4.26Å; L120-V129 HydrophobicContact CD1-CG1 3.71Å; L120-V129 HydrophobicContact CD1-CG2 4.08Å; L120-V129 HydrophobicContact CD2-CG1 4.32Å; L120-L131 HydrophobicContact CB-CD2 4.35Å; L120-L131 HydrophobicContact CD2-CD1 3.71Å; L120-L131 HydrophobicContact CD2-CD2 3.87Å; L120-L131 HydrophobicContact CD2-CG 4.39Å; L120-F304 HydrophobicContact CD2-CD1 4.23Å; L120-F304 HydrophobicContact CD2-CE1 3.51Å; L120-F304 HydrophobicContact CD2-CZ 4.33Å; L120-F304 HydrophobicContact CG-CE1 4.34Å
121L82.6Confident79.1Confident59 Ų5959.8 Ų59.831%0.30932%0.323SS..Hα-helixtrans-71-40-178.3-67.3174000111.6L117 T119 P220 L222 F304L117-L121 HydrophobicContact CD1-CD1 4.18Å; L117-L121 HydrophobicContact CD1-CG 4.26Å; L117-L121 HydrophobicContact CG-CD1 4.07Å; L117-L121 VanDerWaalsContact O-CG 3.29Å; L117-L121 WeakPolarHBondContact O-CG 3.35Å; L117-L121 PolarHBondContact O-N 2.89Å; L117-L121 VanDerWaalsContact O-N 3.09Å; T119-L121 VanDerWaalsContact C-N 3.33Å; T119-L121 PolarHBondContact O-N 2.77Å; L121-P220 HydrophobicContact CD1-CB 4.12Å; L121-P220 HydrophobicContact CD1-CG 4.17Å; L121-L222 HydrophobicContact CD2-CD1 4.32Å; L121-F304 HydrophobicContact CD2-CE2 4.46Å; L121-F304 HydrophobicContact CD2-CZ 3.95Å
122S82.8Confident81.1Confident78 Ų7860.8 Ų60.855%0.54532%0.315SS..Hα-helixtrans-70.4-39.3178.757.70000113.1D118 T119 K124D118-S122 WeakPolarHBondContact O-CB 3.19Å; D118-S122 PolarHBondContact O-N 3.39Å; D118-S122 PolarHBondContact O-OG 3.34Å; T119-S122 WeakPolarHBondContact CA-OG 3.49Å; T119-S122 PolarHBondContact O-N 2.74Å; T119-S122 PolarHBondContact O-OG 2.83Å; T119-S122 VanDerWaalsContact O-OG 3.05Å; S122-K124 VanDerWaalsContact C-N 3.26Å; S122-K124 PolarHBondContact O-N 3.01Å
123Q79.9Confident82.7Confident139 Ų13958.5 Ų58.565%0.6530%0.296SS*.THydrogen-bonded Turntrans-80.8-5.1-178.5-65-63.6-38.700113.4T119 Y125T119-Q123 HydrophobicContact CG2-CG 3.9Å; T119-Q123 VanDerWaalsContact O-CB 3.24Å; T119-Q123 WeakPolarHBondContact O-CB 3.46Å; T119-Q123 WeakPolarHBondContact O-CG 3.45Å; T119-Q123 PolarHBondContact O-N 3.36Å; Q123-Y125 PolarHBondContact O-N 3.49Å
124K77.4Confident83.6Confident132 Ų13256.7 Ų56.757%0.57429%0.285SS*.THydrogen-bonded Turntrans47.846.5-176-62.1-177.9-178.1178.90111.7L120 S122 F291L120-K124 PolarHBondContact O-N 2.82Å; S122-K124 VanDerWaalsContact C-N 3.26Å; S122-K124 PolarHBondContact O-N 3.01Å; K124-F291 VanDerWaalsContact C-CZ 3.41Å; K124-F291 HydrophobicContact CB-CE1 4.17Å; K124-F291 HydrophobicContact CB-CE2 4.35Å; K124-F291 HydrophobicContact CB-CZ 3.58Å; K124-F291 HydrophobicContact CG-CZ 4.39Å; K124-F291 WeakPolarHBondContact O-CE2 3.31Å; K124-F291 WeakPolarHBondContact O-CZ 3.44Å
125Y78.6Confident84.2Confident73 Ų7352.1 Ų52.129%0.28626%0.264SS..  trans-70.9135.9-177.3177.4-94.5000111.7L113 L115 L120 Q123 E128 V129 S289 Q302L113-Y125 HydrophobicContact CD2-CD2 4.43Å; L113-Y125 HydrophobicContact CD2-CE2 3.79Å; L115-Y125 HydrophobicContact CD1-CG 4.36Å; L120-Y125 HydrophobicContact CD1-CD1 3.75Å; L120-Y125 HydrophobicContact CD1-CG 4.16Å; L120-Y125 PolarHBondContact O-N 3.33Å; Q123-Y125 PolarHBondContact O-N 3.49Å; Y125-E128 PolarHBondContact OH-O 3.4Å; Y125-V129 HydrophobicContact CD1-CB 4.35Å; Y125-V129 HydrophobicContact CE1-CB 4.01Å; Y125-S289 WeakPolarHBondContact O-CB 3.44Å; Y125-S289 PolarHBondContact O-OG 3.5Å; Y125-Q302 PolarHBondContact O-NE2 3.01Å
126S78.5Confident84.8Confident57 Ų5751 Ų5140%0.39926%0.259SS..  trans-117129.1173.6-170.10000109.3S289S126-S289 PolarHBondContact OG-O 3.35Å
127G79.7Confident85.2Confident20 Ų2048 Ų4821%0.20624%0.244CC..EExtended strand (participates in β ladder)trans137.9-169.2-174.500000114R288 S289G127-R288 CarbonylContact O-C 3.6Å; G127-R288 WeakPolarHBondContact O-CA 3.47Å; G127-S289 PolarHBondContact N-O 3.08Å; G127-S289 PolarHBondContact O-N 2.97Å
128E85.9Confident85.6Confident97 Ų9748.1 Ų48.145%0.45324%0.244SC..EExtended strand (participates in β ladder)trans-89.7131.6177.4-60.6-175172.400110.2Y125 V287 R288 L307Y125-E128 PolarHBondContact OH-O 3.4Å; E128-V287 WeakPolarHBondContact CA-O 3.41Å; E128-R288 HydrophobicContact CG-CB 4.38Å; E128-R288 HydrophobicContact CG-CG 4.11Å; E128-L307 HydrophobicContact CB-CD1 4.4Å; E128-L307 VanDerWaalsContact CD-CD1 3.5Å; E128-L307 HydrophobicContact CG-CD1 3.69Å; E128-L307 WeakPolarHBondContact OE1-CD1 3.49Å
129V85.5Confident85.9Confident1 Ų148.5 Ų48.51%0.00624%0.244CC..EExtended strand (participates in β ladder)trans-147.8144.7-174.563.30000110.4L113 L115 L120 Y125 L131 T286 V287L113-V129 VanDerWaalsContact O-CG2 3.22Å; L113-V129 WeakPolarHBondContact O-CG2 3.3Å; L115-V129 HydrophobicContact CB-CG2 3.77Å; L115-V129 HydrophobicContact CD1-CG2 3.83Å; L115-V129 HydrophobicContact CG-CG2 3.91Å; L120-V129 HydrophobicContact CD1-CB 4.26Å; L120-V129 HydrophobicContact CD1-CG1 3.71Å; L120-V129 HydrophobicContact CD1-CG2 4.08Å; L120-V129 HydrophobicContact CD2-CG1 4.32Å; Y125-V129 HydrophobicContact CD1-CB 4.35Å; Y125-V129 HydrophobicContact CE1-CB 4.01Å; V129-L131 HydrophobicContact CG1-CD2 4.1Å; V129-L131 HydrophobicContact CG1-CG 4.22Å; V129-L131 HydrophobicContact CG2-CD2 3.91Å; V129-T286 WeakPolarHBondContact O-CA 3.34Å; V129-V287 HydrophobicContact CG1-CG2 3.51Å; V129-V287 PolarHBondContact N-O 2.88Å; V129-V287 PolarHBondContact O-N 3.32Å
130E90.3Very high86.2Confident45 Ų4546.4 Ų46.421%0.2123%0.231CC..EExtended strand (participates in β ladder)trans-94.5130.6170.2-78.3-177.9-177.600110.8A112 L113 L115 V284 I285 T286A112-E130 HydrophobicContact CB-CB 4.44Å; A112-E130 HydrophobicContact CB-CG 3.67Å; A112-E130 VanDerWaalsContact CB-OE1 3.25Å; A112-E130 WeakPolarHBondContact CB-OE1 3.5Å; L113-E130 PolarHBondContact O-N 3.18Å; L115-E130 PolarHBondContact N-O 3.02Å; L115-E130 VanDerWaalsContact N-O 3.07Å; E130-V284 HydrophobicContact CB-CG1 4.27Å; E130-V284 HydrophobicContact CG-CG1 4.4Å; E130-I285 CarbonylContact C-O 3.46Å; E130-I285 WeakPolarHBondContact CA-O 3.43Å; E130-T286 HydrophobicContact CG-CG2 4.34Å
131L88.8Confident86.1Confident0 Ų049.7 Ų49.70%025%0.246CC..EExtended strand (participates in β ladder)trans-124134.2-179.1-52.8176.5000110.2L115 L117 L120 V129 V133 L222 V284 I285 V287L115-L131 HydrophobicContact CB-CD2 4.39Å; L115-L131 VanDerWaalsContact O-CD2 3.23Å; L115-L131 WeakPolarHBondContact O-CD2 3.42Å; L117-L131 HydrophobicContact CD1-CD1 4.31Å; L120-L131 HydrophobicContact CB-CD2 4.35Å; L120-L131 HydrophobicContact CD2-CD1 3.71Å; L120-L131 HydrophobicContact CD2-CD2 3.87Å; L120-L131 HydrophobicContact CD2-CG 4.39Å; V129-L131 HydrophobicContact CG1-CD2 4.1Å; V129-L131 HydrophobicContact CG1-CG 4.22Å; V129-L131 HydrophobicContact CG2-CD2 3.91Å; L131-V133 HydrophobicContact CB-CG1 3.88Å; L131-L222 HydrophobicContact CD1-CD2 4.37Å; L131-V284 WeakPolarHBondContact O-CA 3.47Å; L131-I285 HydrophobicContact CB-CG1 4Å; L131-I285 PolarHBondContact N-O 3.33Å; L131-I285 PolarHBondContact O-N 3.49Å; L131-V287 HydrophobicContact CD1-CG2 3.54Å; L131-V287 HydrophobicContact CG-CG2 4.06Å
132R89.3Confident85.5Confident125 Ų12552.4 Ų52.447%0.47226%0.258SS..EExtended strand (participates in β ladder)trans-88.4115.3164.8-66.9-168.7-168-17610.1109.4E114 W282 V283 V284E114-R132 IonicContact OE1-CZ 3.61Å; E114-R132 IonicContact OE1-NE 2.71Å; E114-R132 PolarHBondContact OE1-NE 3.26Å; E114-R132 IonicContact OE1-NH2 3.29Å; E114-R132 PolarHBondContact OE1-NH2 3.13Å; E114-R132 IonicContact OE2-NH2 3.98Å; E114-R132 PolarHBondContact OE2-NH2 3.1Å; R132-W282 HydrophobicContact CB-CE3 4.3Å; R132-W282 WeakPolarHBondContact O-CZ3 3.42Å; R132-V283 WeakPolarHBondContact CA-O 3.3Å; R132-V284 HydrophobicContact CG-CG2 4.19Å
133V90.3Very high84.3Confident0 Ų050 Ų500%024%0.242CC..EExtended strand (participates in β ladder)trans-137.5162.7-175.8-58.40000112L131 V214 S215 W282 V283 I285L131-V133 HydrophobicContact CB-CG1 3.88Å; V133-V214 HydrophobicContact CB-CB 3.91Å; V133-V214 HydrophobicContact CB-CG2 4.1Å; V133-V214 HydrophobicContact CG1-CB 4.42Å; V133-V214 HydrophobicContact CG1-CG2 4.05Å; V133-V214 HydrophobicContact CG2-CB 3.77Å; V133-V214 HydrophobicContact CG2-CG1 3.97Å; V133-V214 HydrophobicContact CG2-CG2 4.11Å; V133-S215 CarbonylContact C-O 3.55Å; V133-S215 VanDerWaalsContact CA-O 3.31Å; V133-S215 WeakPolarHBondContact CA-O 3.46Å; V133-S215 WeakPolarHBondContact CB-O 3.47Å; V133-W282 WeakPolarHBondContact O-CA 3.38Å; V133-V283 HydrophobicContact CG2-CG2 4.02Å; V133-V283 PolarHBondContact N-O 3.45Å; V133-V283 WeakPolarHBondContact O-CG2 3.35Å; V133-V283 PolarHBondContact O-N 2.91Å; V133-I285 HydrophobicContact CG1-CD1 4.37Å; V133-I285 HydrophobicContact CG2-CD1 3.68Å; V133-I285 HydrophobicContact CG2-CG1 3.84Å; V133-I285 HydrophobicContact CG2-CG2 4.29Å
134Q90.6Very high83.1Confident45 Ų4547.8 Ų47.821%0.2124%0.24CC..EExtended strand (participates in β ladder)trans-99.9133.7164-66.9-175.4-16.800109.4V214 S215 R280 W282Q134-V214 CarbonylContact O-C 3.42Å; Q134-V214 WeakPolarHBondContact O-CA 3.49Å; Q134-V214 WeakPolarHBondContact O-CB 3.31Å; Q134-S215 PolarHBondContact N-O 3.45Å; Q134-S215 PolarHBondContact O-N 3.48Å; Q134-R280 HydrophobicContact CB-CB 4.24Å; Q134-R280 HydrophobicContact CG-CB 4.3Å; Q134-R280 PolarHBondContact NE2-O 2.92Å; Q134-W282 HydrophobicContact CG-CD2 3.82Å; Q134-W282 HydrophobicContact CG-CE3 4.09Å; Q134-W282 HydrophobicContact CG-CG 4.26Å; Q134-W282 HydrophobicContact CG-CH2 4.3Å; Q134-W282 HydrophobicContact CG-CZ2 4.07Å; Q134-W282 HydrophobicContact CG-CZ3 4.32Å
135V90.9Very high81.5Confident2 Ų248 Ų481%0.01226%0.255CS..EExtended strand (participates in β ladder)trans-81.7128.1173-173.50000109.4L212 V214 L275 L276 R280 V283V135-L212 HydrophobicContact CG1-CD2 3.68Å; V135-V214 HydrophobicContact CG2-CG1 4.3Å; V135-L275 HydrophobicContact CB-CD1 4.48Å; V135-L275 HydrophobicContact CB-CG 4.28Å; V135-L275 HydrophobicContact CG1-CD2 4.41Å; V135-L275 HydrophobicContact CG1-CG 4.22Å; V135-L275 HydrophobicContact CG2-CD1 3.86Å; V135-L275 HydrophobicContact CG2-CG 4.12Å; V135-L276 HydrophobicContact CG1-CD2 3.8Å; V135-R280 WeakPolarHBondContact O-CD 3.33Å; V135-R280 PolarHBondContact O-NE 2.98Å; V135-V283 HydrophobicContact CG2-CG2 3.73Å
136L90.5Very high80Confident14 Ų1448.9 Ų48.97%0.07327%0.272CS..EExtended strand (participates in β ladder)trans-100.3-48.5-176.8-51-178.4000111.7T213 S215 H221 R280L136-T213 WeakPolarHBondContact CA-O 3.18Å; L136-T213 HydrophobicContact CB-CG2 4.49Å; L136-T213 WeakPolarHBondContact CB-O 3.33Å; L136-T213 HydrophobicContact CD1-CG2 4.12Å; L136-T213 PolarHBondContact N-O 3.48Å; L136-S215 WeakPolarHBondContact CD2-OG 2.93Å; L136-H221 VanDerWaalsContact CD1-CE1 3.42Å; L136-H221 WeakPolarHBondContact CD1-CE1 3.49Å; L136-H221 WeakPolarHBondContact CD1-ND1 3.49Å; L136-R280 PolarHBondContact O-NH2 2.81Å
137S92.1Very high78.6Confident18 Ų1855.3 Ų55.313%0.12630%0.296CS..EExtended strand (participates in β ladder)trans-154.3161.2-178.9660000111.9L154 T213S137-L154 CarbonylContact C-O 3.54Å; S137-L154 WeakPolarHBondContact CA-O 3.4Å; S137-L154 VanDerWaalsContact CB-O 3.28Å; S137-L154 WeakPolarHBondContact CB-O 3.4Å; S137-T213 PolarHBondContact N-O 3.42Å; S137-T213 PolarHBondContact O-N 3.09Å; S137-T213 VanDerWaalsContact OG-CB 3.3Å; S137-T213 WeakPolarHBondContact OG-CB 3.46Å; S137-T213 PolarHBondContact OG-OG1 2.94Å; S137-T213 VanDerWaalsContact OG-OG1 3.05Å
138F92.6Very high77.3Confident3 Ų359.8 Ų59.81%0.01332%0.315CS..EExtended strand (participates in β ladder)trans-134141.9174.9176.2-97.9000110.1F140 L154 V211 L212 V226 L231 L272F138-F140 HydrophobicContact CE1-CD1 4.09Å; F138-F140 AromaticContact CE1-CD2 3.82Å; F138-F140 HydrophobicContact CE1-CD2 3.82Å; F138-F140 AromaticContact CE1-CE1 3.94Å; F138-F140 HydrophobicContact CE1-CE1 3.94Å; F138-F140 AromaticContact CE1-CE2 3.66Å; F138-F140 HydrophobicContact CE1-CE2 3.66Å; F138-F140 HydrophobicContact CE1-CG 4.03Å; F138-F140 AromaticContact CE1-CZ 3.71Å; F138-F140 HydrophobicContact CE1-CZ 3.71Å; F138-F140 HydrophobicContact CZ-CD1 4.09Å; F138-F140 HydrophobicContact CZ-CE1 4.01Å; F138-F140 HydrophobicContact CZ-CG 4.39Å; F138-F140 HydrophobicContact CZ-CZ 4.22Å; F138-L154 HydrophobicContact CD1-CD1 4.21Å; F138-L154 PolarHBondContact N-O 2.81Å; F138-L154 WeakPolarHBondContact O-CB 3.39Å; F138-L154 PolarHBondContact O-N 2.9Å; F138-V211 WeakPolarHBondContact CA-O 3.33Å; F138-L212 HydrophobicContact CB-CD2 3.97Å; F138-L212 HydrophobicContact CD2-CD2 3.59Å; F138-L212 HydrophobicContact CD2-CG 3.93Å; F138-L212 HydrophobicContact CG-CD2 4.23Å; F138-V226 HydrophobicContact CE2-CG2 4.41Å; F138-L231 HydrophobicContact CE2-CD1 3.89Å; F138-L231 HydrophobicContact CZ-CD1 3.56Å; F138-L231 HydrophobicContact CZ-CD2 4.21Å; F138-L272 HydrophobicContact CD1-CD2 3.96Å; F138-L272 HydrophobicContact CE1-CD2 4.35Å; F138-L272 HydrophobicContact CG-CD2 4.22Å
139Q91.5Very high75.8Confident64 Ų6460.4 Ų60.430%0.29933%0.327SS..EExtended strand (participates in β ladder)trans-141.8138.9175.9-168.5-176.520.100110Q151 V153 G210 V211Q139-Q151 PolarHBondContact NE2-O 2.92Å; Q139-V153 HydrophobicContact CB-CG2 4.42Å; Q139-V153 HydrophobicContact CG-CG2 4.2Å; Q139-G210 CarbonylContact O-C 3.55Å; Q139-G210 WeakPolarHBondContact O-CA 3.46Å; Q139-V211 PolarHBondContact N-O 2.94Å; Q139-V211 PolarHBondContact O-N 3.3Å
140F88.8Confident74.7Confident3 Ų363.6 Ų63.61%0.01335%0.354CS..EExtended strand (participates in β ladder)trans-77.8140.8168.1-67.2-84000110.2F138 Q151 L167 I171 L231 L235F138-F140 HydrophobicContact CE1-CD1 4.09Å; F138-F140 AromaticContact CE1-CD2 3.82Å; F138-F140 HydrophobicContact CE1-CD2 3.82Å; F138-F140 AromaticContact CE1-CE1 3.94Å; F138-F140 HydrophobicContact CE1-CE1 3.94Å; F138-F140 AromaticContact CE1-CE2 3.66Å; F138-F140 HydrophobicContact CE1-CE2 3.66Å; F138-F140 HydrophobicContact CE1-CG 4.03Å; F138-F140 AromaticContact CE1-CZ 3.71Å; F138-F140 HydrophobicContact CE1-CZ 3.71Å; F138-F140 HydrophobicContact CZ-CD1 4.09Å; F138-F140 HydrophobicContact CZ-CE1 4.01Å; F138-F140 HydrophobicContact CZ-CG 4.39Å; F138-F140 HydrophobicContact CZ-CZ 4.22Å; F140-Q151 HydrophobicContact CB-CB 4.38Å; F140-Q151 HydrophobicContact CB-CG 4.11Å; F140-Q151 WeakPolarHBondContact O-CB 3.17Å; F140-L167 HydrophobicContact CE2-CD2 4.27Å; F140-L167 HydrophobicContact CZ-CD2 3.94Å; F140-I171 HydrophobicContact CD1-CB 4.16Å; F140-I171 HydrophobicContact CD1-CG2 4.11Å; F140-I171 HydrophobicContact CD2-CG2 3.72Å; F140-I171 HydrophobicContact CE1-CB 4Å; F140-I171 HydrophobicContact CE1-CD1 4.35Å; F140-I171 HydrophobicContact CE1-CG2 4.16Å; F140-I171 HydrophobicContact CE2-CB 4.45Å; F140-I171 HydrophobicContact CE2-CG2 3.8Å; F140-I171 HydrophobicContact CG-CB 4.44Å; F140-I171 HydrophobicContact CG-CG2 3.89Å; F140-I171 HydrophobicContact CZ-CB 4.18Å; F140-I171 HydrophobicContact CZ-CD1 4.01Å; F140-I171 HydrophobicContact CZ-CG2 4.03Å; F140-L231 HydrophobicContact CD1-CD2 4.23Å; F140-L231 HydrophobicContact CE1-CD2 3.89Å; F140-L235 HydrophobicContact CZ-CD1 4.5Å
141Q82.5Confident73.8Confident68 Ų6862.7 Ų62.732%0.31835%0.35SS..PPolyproline II helixtrans-72.8138.7173-67.3-173.3-20.300110.2P209 V211Q141-P209 VanDerWaalsContact CB-O 3.3Å; Q141-P209 WeakPolarHBondContact CB-O 3.38Å; Q141-P209 PolarHBondContact N-O 2.85Å; Q141-V211 HydrophobicContact CG-CG2 3.9Å
142E69.5Low73.3Confident116 Ų11666 Ų6654%0.54237%0.371SS..PPolyproline II helixtrans-64.5149.2-177.7-68.3177-175.700112.1A150E142-A150 WeakPolarHBondContact OE1-CA 3.29Å; E142-A150 WeakPolarHBondContact OE1-CB 3.32Å
143A57.4Low73.3Confident27 Ų2763.8 Ų63.822%0.22337%0.371CS..PPolyproline II helixtrans-64.8157.816000000109.6
144P53.8Low73.3Confident93 Ų9363.9 Ų63.960%0.60437%0.372SS*.SBendtrans-49.6148.1171.5-24.734.3000111.5S146P144-S146 PolarHBondContact O-N 2.77Å
145P45Very low73.3Confident137 Ų13764.2 Ų64.289%0.8938%0.375SS*.SBendtrans-72.889.8-161.829.7-34.5000111.3
146S47.2Very low73Confident92 Ų9265.4 Ų65.464%0.64339%0.387SS*.SBendtrans-146.6101.5158600000108.8P144P144-S146 PolarHBondContact O-N 2.77Å
147Q47.6Very low72.8Confident192 Ų19269.2 Ų69.290%0.89742%0.415SS*.SBendtrans84.39.2156.6-49-174.58.200120.5
148N52.3Low72.6Confident113 Ų11369.7 Ų69.760%0.60442%0.417SS*.  trans-111.9139.8174-82.8-33.6000113.3
149P56.1Low72.4Confident110 Ų11073.7 Ų73.771%0.71444%0.444SS*.PPolyproline II helixtrans-64150.6170.728.1-33000110.1Q151P149-Q151 PolarHBondContact O-N 3.32Å
150A62.2Low72.1Confident68 Ų6875.5 Ų75.556%0.56245%0.448SS*.PPolyproline II helixtrans-51.4129177.800000111.1E142E142-A150 WeakPolarHBondContact OE1-CA 3.29Å; E142-A150 WeakPolarHBondContact OE1-CB 3.32Å
151Q70.1Confident72Confident27 Ų2778.9 Ų78.913%0.12648%0.476CS..PPolyproline II helixtrans-58128.5178.1-78-96.4-11.300109Q139 F140 P149 D170Q139-Q151 PolarHBondContact NE2-O 2.92Å; F140-Q151 HydrophobicContact CB-CB 4.38Å; F140-Q151 HydrophobicContact CB-CG 4.11Å; F140-Q151 WeakPolarHBondContact O-CB 3.17Å; P149-Q151 PolarHBondContact O-N 3.32Å; Q151-D170 PolarHBondContact NE2-O 3.28Å
152P79.8Confident72.2Confident69 Ų6976.8 Ų76.845%0.44847%0.473SS..PPolyproline II helixtrans-66.4142.3-175.427.1-34.3000111L154 A166P152-L154 HydrophobicContact CB-CD2 4.49Å; P152-L154 HydrophobicContact CG-CD2 4.21Å; P152-L154 PolarHBondContact O-N 3.29Å; P152-A166 HydrophobicContact CG-CB 4.05Å
153V88.2Confident73Confident78 Ų7871.3 Ų71.347%0.47345%0.447SS..PPolyproline II helixtrans-73.4121169.5-1800000108.1Q139Q139-V153 HydrophobicContact CB-CG2 4.42Å; Q139-V153 HydrophobicContact CG-CG2 4.2Å
154L90.3Very high74.4Confident2 Ų272.3 Ų72.31%0.0145%0.449CS..EExtended strand (participates in β ladder)trans-95.9128.5-180-49.4178000109.1S137 F138 P152 T158 L163 A166 L272 L276S137-L154 CarbonylContact C-O 3.54Å; S137-L154 WeakPolarHBondContact CA-O 3.4Å; S137-L154 VanDerWaalsContact CB-O 3.28Å; S137-L154 WeakPolarHBondContact CB-O 3.4Å; F138-L154 HydrophobicContact CD1-CD1 4.21Å; F138-L154 PolarHBondContact N-O 2.81Å; F138-L154 WeakPolarHBondContact O-CB 3.39Å; F138-L154 PolarHBondContact O-N 2.9Å; P152-L154 HydrophobicContact CB-CD2 4.49Å; P152-L154 HydrophobicContact CG-CD2 4.21Å; P152-L154 PolarHBondContact O-N 3.29Å; L154-T158 HydrophobicContact CD2-CG2 4.06Å; L154-L163 HydrophobicContact CB-CD2 3.98Å; L154-L163 HydrophobicContact CD1-CD2 3.83Å; L154-L163 HydrophobicContact CD2-CD2 4.16Å; L154-L163 HydrophobicContact CG-CD2 4.2Å; L154-A166 HydrophobicContact CD1-CB 4.02Å; L154-A166 HydrophobicContact CD2-CB 3.87Å; L154-A166 HydrophobicContact CG-CB 4.48Å; L154-L272 HydrophobicContact CD1-CD1 4.19Å; L154-L276 HydrophobicContact CB-CD1 3.88Å
155D90.2Very high75.9Confident53 Ų5371 Ų7128%0.28345%0.446SS..EExtended strand (participates in β ladder)trans-137.9-176-179.772.15.8000112S157 T158D155-S157 PolarHBondContact O-N 2.89Å; D155-S157 WeakPolarHBondContact OD1-CA 3.39Å; D155-S157 WeakPolarHBondContact OD1-CB 3.41Å; D155-S157 PolarHBondContact OD1-N 2.97Å; D155-S157 PolarHBondContact OD1-OG 3.48Å; D155-S157 PolarHBondContact OD2-OG 3.01Å; D155-T158 PolarHBondContact N-OG1 3.41Å; D155-T158 VanDerWaalsContact O-CB 3.28Å; D155-T158 WeakPolarHBondContact O-CB 3.49Å; D155-T158 PolarHBondContact O-N 3.36Å; D155-T158 VanDerWaalsContact O-N 3.09Å; D155-T158 PolarHBondContact O-OG1 3.24Å; D155-T158 PolarHBondContact OD1-N 2.93Å; D155-T158 PolarHBondContact OD1-OG1 2.71Å
156G85.4Confident77.8Confident26 Ų2664.8 Ų64.827%0.26841%0.406SS..THydrogen-bonded Turntrans-66.5-12.5179.800000115.4L276G156-L276 WeakPolarHBondContact CA-O 3.16Å
157S86.3Confident79.7Confident95 Ų9560.5 Ų60.566%0.66438%0.376SS*.THydrogen-bonded Turntrans-92.5-12.1174.777.60000112.7D155 P159D155-S157 PolarHBondContact O-N 2.89Å; D155-S157 WeakPolarHBondContact OD1-CA 3.39Å; D155-S157 WeakPolarHBondContact OD1-CB 3.41Å; D155-S157 PolarHBondContact OD1-N 2.97Å; D155-S157 PolarHBondContact OD1-OG 3.48Å; D155-S157 PolarHBondContact OD2-OG 3.01Å; S157-P159 WeakPolarHBondContact O-CD 3.17Å
158T87.6Confident81.3Confident27 Ų2753.6 Ų53.617%0.16635%0.349CS..  trans-69.1121-174.9-58.70000110.6L154 D155 L163L154-T158 HydrophobicContact CD2-CG2 4.06Å; D155-T158 PolarHBondContact N-OG1 3.41Å; D155-T158 VanDerWaalsContact O-CB 3.28Å; D155-T158 WeakPolarHBondContact O-CB 3.49Å; D155-T158 PolarHBondContact O-N 3.36Å; D155-T158 VanDerWaalsContact O-N 3.09Å; D155-T158 PolarHBondContact O-OG1 3.24Å; D155-T158 PolarHBondContact OD1-N 2.93Å; D155-T158 PolarHBondContact OD1-OG1 2.71Å; T158-L163 HydrophobicContact CG2-CD2 4.08Å; T158-L163 HydrophobicContact CG2-CG 4.16Å
159P87.9Confident82.5Confident87 Ų8750.1 Ų50.157%0.56534%0.339SS*.  trans-68.2154.7179.928.4-34.4000110.8S157 A161 G162 L163S157-P159 WeakPolarHBondContact O-CD 3.17Å; P159-A161 PolarHBondContact O-N 2.99Å; P159-G162 WeakPolarHBondContact O-CA 3.39Å; P159-G162 PolarHBondContact O-N 2.84Å; P159-L163 PolarHBondContact O-N 3.44Å
160R86.8Confident83.7Confident102 Ų10247.7 Ų47.739%0.38532%0.32SS..Hα-helixtrans-52.8-35.1179.5-171.6175.8180165.57.5113.1G162 L163 L164 E270R160-G162 VanDerWaalsContact C-N 3.33Å; R160-G162 PolarHBondContact O-N 2.83Å; R160-L163 PolarHBondContact O-N 3.46Å; R160-L164 HydrophobicContact CG-CD1 4.35Å; R160-L164 VanDerWaalsContact O-CG 3.32Å; R160-L164 WeakPolarHBondContact O-CG 3.29Å; R160-L164 PolarHBondContact O-N 3.22Å; R160-E270 IonicContact CZ-OE1 3.74Å; R160-E270 IonicContact NH1-OE1 3.71Å; R160-E270 IonicContact NH2-OE1 3.18Å; R160-E270 PolarHBondContact NH2-OE1 3.02Å
161A86.2Confident84.8Confident74 Ų7444.6 Ų44.661%0.61229%0.294SS*.Hα-helixtrans-61.9-38.5175.100000112.9P159 L164 A165P159-A161 PolarHBondContact O-N 2.99Å; A161-L164 PolarHBondContact O-N 3.49Å; A161-A165 WeakPolarHBondContact O-CB 3.23Å; A161-A165 PolarHBondContact O-N 3.36Å
162G85.4Confident85.7Confident24 Ų2443.8 Ų43.825%0.24729%0.291CS..Hα-helixtrans-67.7-40.6175.600000112.5P159 R160 A165 A166P159-G162 WeakPolarHBondContact O-CA 3.39Å; P159-G162 PolarHBondContact O-N 2.84Å; R160-G162 VanDerWaalsContact C-N 3.33Å; R160-G162 PolarHBondContact O-N 2.83Å; G162-A165 PolarHBondContact O-N 3.38Å; G162-A166 PolarHBondContact O-N 2.86Å
163L87.1Confident86.1Confident2 Ų241.5 Ų41.51%0.0127%0.274CS..Hα-helixtrans-61.1-45.5174-64.1174.9000111.7L154 T158 P159 R160 A165 A166 L167 A269 L272 Q273L154-L163 HydrophobicContact CB-CD2 3.98Å; L154-L163 HydrophobicContact CD1-CD2 3.83Å; L154-L163 HydrophobicContact CD2-CD2 4.16Å; L154-L163 HydrophobicContact CG-CD2 4.2Å; T158-L163 HydrophobicContact CG2-CD2 4.08Å; T158-L163 HydrophobicContact CG2-CG 4.16Å; P159-L163 PolarHBondContact O-N 3.44Å; R160-L163 PolarHBondContact O-N 3.46Å; L163-A165 VanDerWaalsContact C-N 3.32Å; L163-A165 PolarHBondContact O-N 2.8Å; L163-A166 PolarHBondContact O-N 2.8Å; L163-L167 WeakPolarHBondContact O-CB 3.32Å; L163-L167 WeakPolarHBondContact O-CG 3.31Å; L163-L167 PolarHBondContact O-N 3.32Å; L163-A269 HydrophobicContact CB-CB 4.27Å; L163-L272 HydrophobicContact CD2-CB 4.46Å; L163-Q273 HydrophobicContact CD1-CB 3.62Å; L163-Q273 HydrophobicContact CD1-CG 4.1Å
164L87.4Confident86.1Confident48 Ų4838.7 Ų38.725%0.25126%0.257SS..Hα-helixtrans-64-37.5177.7-70.3170.8000112.1R160 A161 S168 V265 Q266 A269R160-L164 HydrophobicContact CG-CD1 4.35Å; R160-L164 VanDerWaalsContact O-CG 3.32Å; R160-L164 WeakPolarHBondContact O-CG 3.29Å; R160-L164 PolarHBondContact O-N 3.22Å; A161-L164 PolarHBondContact O-N 3.49Å; L164-S168 VanDerWaalsContact O-CB 3.27Å; L164-S168 WeakPolarHBondContact O-CB 3.4Å; L164-S168 PolarHBondContact O-N 2.94Å; L164-S168 PolarHBondContact O-OG 3.16Å; L164-V265 HydrophobicContact CD2-CG1 3.78Å; L164-Q266 HydrophobicContact CD2-CG 4.43Å; L164-A269 HydrophobicContact CD2-CB 3.68Å; L164-A269 HydrophobicContact CG-CB 4.19Å
165A84.9Confident86Confident66 Ų6638.6 Ų38.655%0.54526%0.257SS..Hα-helixtrans-65-46.7176.500000111.6A161 G162 L163 L167 S168 G169A161-A165 WeakPolarHBondContact O-CB 3.23Å; A161-A165 PolarHBondContact O-N 3.36Å; G162-A165 PolarHBondContact O-N 3.38Å; L163-A165 VanDerWaalsContact C-N 3.32Å; L163-A165 PolarHBondContact O-N 2.8Å; A165-L167 PolarHBondContact O-N 3.33Å; A165-S168 PolarHBondContact O-N 3.36Å; A165-G169 PolarHBondContact O-N 3Å
166A85.9Confident85.8Confident6 Ų636.2 Ų36.25%0.0524%0.244CC..Hα-helixtrans-60.8-45.2176.300000111.9P152 L154 G162 L163 S168 G169 I171P152-A166 HydrophobicContact CG-CB 4.05Å; L154-A166 HydrophobicContact CD1-CB 4.02Å; L154-A166 HydrophobicContact CD2-CB 3.87Å; L154-A166 HydrophobicContact CG-CB 4.48Å; G162-A166 PolarHBondContact O-N 2.86Å; L163-A166 PolarHBondContact O-N 2.8Å; A166-S168 PolarHBondContact O-N 3.05Å; A166-G169 PolarHBondContact O-N 3.44Å; A166-G169 VanDerWaalsContact O-N 3.16Å; A166-I171 VanDerWaalsContact O-CG2 3.27Å; A166-I171 WeakPolarHBondContact O-CG2 3.37Å
167L86.3Confident85.6Confident1 Ų136.5 Ų36.51%0.00525%0.247CC..Hα-helixtrans-68.9-20.5177.6-72.1168.7000114.1F140 L163 A165 G169 I171 L235 V265 A268 A269 L272F140-L167 HydrophobicContact CE2-CD2 4.27Å; F140-L167 HydrophobicContact CZ-CD2 3.94Å; L163-L167 WeakPolarHBondContact O-CB 3.32Å; L163-L167 WeakPolarHBondContact O-CG 3.31Å; L163-L167 PolarHBondContact O-N 3.32Å; A165-L167 PolarHBondContact O-N 3.33Å; L167-G169 VanDerWaalsContact C-N 3.34Å; L167-I171 HydrophobicContact CB-CD1 4.48Å; L167-I171 HydrophobicContact CD2-CD1 3.88Å; L167-I171 WeakPolarHBondContact O-CD1 3.49Å; L167-L235 HydrophobicContact CD2-CD1 4.39Å; L167-L235 HydrophobicContact CD2-CD2 4.43Å; L167-V265 HydrophobicContact CB-CG1 4.08Å; L167-A268 HydrophobicContact CD1-CB 3.86Å; L167-A268 HydrophobicContact CD2-CB 4.23Å; L167-A269 VanDerWaalsContact CD1-CA 3.45Å; L167-A269 HydrophobicContact CD1-CB 3.68Å; L167-A269 VanDerWaalsContact CD1-N 3.27Å; L167-L272 HydrophobicContact CD1-CD1 4.19Å; L167-L272 HydrophobicContact CD2-CD1 3.92Å; L167-L272 HydrophobicContact CG-CD1 4.19Å
168S81.2Confident85.4Confident47 Ų4740 Ų4033%0.32925%0.246SC..THydrogen-bonded Turntrans-86.6-5.4175.4-62.30000113.2L164 A165 A166L164-S168 VanDerWaalsContact O-CB 3.27Å; L164-S168 WeakPolarHBondContact O-CB 3.4Å; L164-S168 PolarHBondContact O-N 2.94Å; L164-S168 PolarHBondContact O-OG 3.16Å; A165-S168 PolarHBondContact O-N 3.36Å; A166-S168 PolarHBondContact O-N 3.05Å
169G78.1Confident85Confident40 Ų4041.9 Ų41.941%0.41226%0.259SS..SBendtrans-80.3-170179.100000113.6A165 A166 L167 I171A165-G169 PolarHBondContact O-N 3Å; A166-G169 PolarHBondContact O-N 3.44Å; A166-G169 VanDerWaalsContact O-N 3.16Å; L167-G169 VanDerWaalsContact C-N 3.34Å; G169-I171 VanDerWaalsContact C-N 3.26Å; G169-I171 PolarHBondContact O-N 3.08Å
170D79.9Confident84.9Confident59 Ų5938.9 Ų38.932%0.31624%0.241SC..SBendtrans-76.277.5173.8-174.334.9000111.3Q151 R208Q151-D170 PolarHBondContact NE2-O 3.28Å; D170-R208 PolarHBondContact O-NE 3.19Å; D170-R208 IonicContact OD1-NH2 3.24Å; D170-R208 IonicContact OD2-CZ 2.96Å; D170-R208 IonicContact OD2-NE 3.24Å; D170-R208 PolarHBondContact OD2-NE 3.27Å; D170-R208 IonicContact OD2-NH2 2.9Å; D170-R208 PolarHBondContact OD2-NH2 3.2Å
171I86.2Confident84.6Confident3 Ų336.1 Ų36.12%0.01524%0.241CC..  trans-108.77.5-178.160.1150.4000113F140 A166 L167 G169 Y207 R208 L242F140-I171 HydrophobicContact CD1-CB 4.16Å; F140-I171 HydrophobicContact CD1-CG2 4.11Å; F140-I171 HydrophobicContact CD2-CG2 3.72Å; F140-I171 HydrophobicContact CE1-CB 4Å; F140-I171 HydrophobicContact CE1-CD1 4.35Å; F140-I171 HydrophobicContact CE1-CG2 4.16Å; F140-I171 HydrophobicContact CE2-CB 4.45Å; F140-I171 HydrophobicContact CE2-CG2 3.8Å; F140-I171 HydrophobicContact CG-CB 4.44Å; F140-I171 HydrophobicContact CG-CG2 3.89Å; F140-I171 HydrophobicContact CZ-CB 4.18Å; F140-I171 HydrophobicContact CZ-CD1 4.01Å; F140-I171 HydrophobicContact CZ-CG2 4.03Å; A166-I171 VanDerWaalsContact O-CG2 3.27Å; A166-I171 WeakPolarHBondContact O-CG2 3.37Å; L167-I171 HydrophobicContact CB-CD1 4.48Å; L167-I171 HydrophobicContact CD2-CD1 3.88Å; L167-I171 WeakPolarHBondContact O-CD1 3.49Å; G169-I171 VanDerWaalsContact C-N 3.26Å; G169-I171 PolarHBondContact O-N 3.08Å; I171-Y207 HydrophobicContact CD1-CD1 4.22Å; I171-Y207 HydrophobicContact CD1-CE1 4.06Å; I171-Y207 CarbonylContact O-C 3.58Å; I171-Y207 WeakPolarHBondContact O-CA 3.47Å; I171-R208 PolarHBondContact O-N 3.19Å; I171-L242 HydrophobicContact CD1-CD1 4.19Å
172T88.3Confident84.7Confident10 Ų1036.7 Ų36.76%0.06123%0.231CC..EExtended strand (participates in β ladder)trans-136.1148.4179.3620000111.2F206 Y207 P239T172-F206 CarbonylContact C-O 3.47Å; T172-F206 WeakPolarHBondContact CA-O 3.48Å; T172-F206 WeakPolarHBondContact CB-O 3.34Å; T172-Y207 HydrophobicContact CG2-CD1 4.07Å; T172-Y207 HydrophobicContact CG2-CE1 4.28Å; T172-P239 HydrophobicContact CG2-CB 3.76Å
173Y87.9Confident84.8Confident21 Ų2136.4 Ų36.48%0.08222%0.223CC..EExtended strand (participates in β ladder)trans-136.3159.1174.768.7-83.5000110.8A180 E182 R205 F206 Y207 R208 P228Y173-A180 VanDerWaalsContact CE2-O 3.29Å; Y173-A180 WeakPolarHBondContact CE2-O 3.5Å; Y173-A180 PolarHBondContact OH-O 3.09Å; Y173-E182 VanDerWaalsContact CB-OE1 3.31Å; Y173-E182 WeakPolarHBondContact CB-OE1 3.22Å; Y173-E182 HydrophobicContact CD2-CB 3.52Å; Y173-E182 HydrophobicContact CD2-CG 3.6Å; Y173-E182 HydrophobicContact CE2-CB 3.75Å; Y173-E182 HydrophobicContact CE2-CG 4.35Å; Y173-E182 HydrophobicContact CG-CB 4.35Å; Y173-E182 HydrophobicContact CG-CG 4.12Å; Y173-R205 WeakPolarHBondContact O-CA 3.44Å; Y173-R205 WeakPolarHBondContact O-CG 3.39Å; Y173-F206 HydrophobicContact CD1-CB 4.25Å; Y173-F206 HydrophobicContact CE1-CB 3.69Å; Y173-F206 HydrophobicContact CE2-CB 4.16Å; Y173-F206 HydrophobicContact CE2-CD2 4.2Å; Y173-F206 PolarHBondContact N-O 2.92Å; Y173-F206 PolarHBondContact O-N 2.74Å; Y173-Y207 VanDerWaalsContact CE1-O 3.27Å; Y173-Y207 WeakPolarHBondContact CE1-O 3.39Å; Y173-R208 HydrophobicContact CD1-CG 3.97Å; Y173-P228 HydrophobicContact CE1-CG 4.44Å
174T88.9Confident84.8Confident20 Ų2042.2 Ų42.212%0.12325%0.254CS..EExtended strand (participates in β ladder)trans-92.2129.1170.9-56.60000108.9L183 Y191 L203T174-L183 PolarHBondContact O-N 3.18Å; T174-L183 VanDerWaalsContact O-N 3.13Å; T174-Y191 VanDerWaalsContact CB-CZ 3.45Å; T174-Y191 VanDerWaalsContact CB-OH 3.28Å; T174-Y191 WeakPolarHBondContact CB-OH 3.45Å; T174-Y191 HydrophobicContact CG2-CD1 4.2Å; T174-Y191 HydrophobicContact CG2-CD2 4.28Å; T174-Y191 HydrophobicContact CG2-CE1 3.75Å; T174-Y191 HydrophobicContact CG2-CE2 3.81Å; T174-Y191 HydrophobicContact CG2-CG 4.45Å; T174-Y191 PolarHBondContact OG1-OH 3.32Å; T174-L203 HydrophobicContact CG2-CB 4.26Å
175G88.6Confident84.7Confident0 Ų043.5 Ų43.50%026%0.264CS..EExtended strand (participates in β ladder)trans-140.8179.7-178.700000113.3G177 A181 R204G175-G177 PolarHBondContact O-N 3.09Å; G175-A181 CarbonylContact C-O 3.59Å; G175-A181 WeakPolarHBondContact CA-O 3.4Å; G175-R204 PolarHBondContact N-O 3.38Å; G175-R204 PolarHBondContact O-N 2.81Å; G175-R204 VanDerWaalsContact O-O 3.09Å
176C85.8Confident84.7Confident2 Ų243.5 Ų43.51%0.01426%0.255CS..EExtended strand (participates in β ladder)trans-65.2130176.4-178.80000110.9R178 C179 A180 A181 L183 C194 F206C176-R178 PolarHBondContact O-N 2.84Å; C176-R178 PolarHBondContact SG-N 3.4Å; C176-R178 VanDerWaalsContact SG-N 3.45Å; C176-C179 VanDerWaalsContact CB-SG 3.59Å; C176-A180 WeakPolarHBondContact O-CA 3.43Å; C176-A180 PolarHBondContact O-N 2.77Å; C176-A181 PolarHBondContact N-O 3.36Å; C176-L183 HydrophobicContact CB-CD1 4.29Å; C176-C194 HydrophobicContact CB-CB 3.74Å; C176-F206 WeakPolarHBondContact O-CE2 3.31Å
177G81.4Confident84.8Confident32 Ų3255.2 Ų55.233%0.3330%0.298SS..THydrogen-bonded Turntrans-62.4-15.3177.500000114.7G175 A202G175-G177 PolarHBondContact O-N 3.09Å; G177-A202 PolarHBondContact N-O 2.84Å
178R81.4Confident84.9Confident170 Ų17061.4 Ų61.464%0.64233%0.331SS*.THydrogen-bonded Turntrans-95.7-56.6179.2-169.5176.5174.3-174.4-2.8113.5C176 C197 L200C176-R178 PolarHBondContact O-N 2.84Å; C176-R178 PolarHBondContact SG-N 3.4Å; C176-R178 VanDerWaalsContact SG-N 3.45Å; R178-C197 HydrophobicContact CB-CB 4.22Å; R178-L200 HydrophobicContact CB-CD2 3.68Å; R178-L200 HydrophobicContact CG-CD2 4.18Å
179C79.4Confident84.9Confident65 Ų6561.5 Ų61.544%0.43934%0.34SS..THydrogen-bonded Turntrans-102.7-3.8-174.466.30000113.8C176 A181 C194C176-C179 VanDerWaalsContact CB-SG 3.59Å; C179-A181 PolarHBondContact O-N 2.84Å; C179-A181 VanDerWaalsContact O-N 3.1Å; C179-A181 WeakPolarHBondContact SG-CB 3.36Å; C179-C194 VanDerWaalsContact SG-SG 3.6Å
180A84.9Confident85.2Confident24 Ų2464.6 Ų64.620%0.19835%0.346CS..  trans57.915.2-17500000115Y173 C176 E182 F206Y173-A180 VanDerWaalsContact CE2-O 3.29Å; Y173-A180 WeakPolarHBondContact CE2-O 3.5Å; Y173-A180 PolarHBondContact OH-O 3.09Å; C176-A180 WeakPolarHBondContact O-CA 3.43Å; C176-A180 PolarHBondContact O-N 2.77Å; A180-E182 PolarHBondContact O-N 2.83Å; A180-F206 HydrophobicContact CB-CD1 4.02Å; A180-F206 HydrophobicContact CB-CD2 4.16Å; A180-F206 HydrophobicContact CB-CE1 3.76Å; A180-F206 HydrophobicContact CB-CE2 3.92Å; A180-F206 HydrophobicContact CB-CG 4.21Å; A180-F206 HydrophobicContact CB-CZ 3.69Å
181A82.4Confident85.5Confident45 Ų4566 Ų6637%0.37235%0.347SS..  trans-62.4133.2171.900000109.9G175 C176 C179G175-A181 CarbonylContact C-O 3.59Å; G175-A181 WeakPolarHBondContact CA-O 3.4Å; C176-A181 PolarHBondContact N-O 3.36Å; C179-A181 PolarHBondContact O-N 2.84Å; C179-A181 VanDerWaalsContact O-N 3.1Å; C179-A181 WeakPolarHBondContact SG-CB 3.36Å
182E87.8Confident85.5Confident86 Ų8668 Ų6840%0.40236%0.359SS..BIsolated β-bridgetrans-60.6135.4173.8-172.5160.2-161.600109.4Y173 A180 R208Y173-E182 VanDerWaalsContact CB-OE1 3.31Å; Y173-E182 WeakPolarHBondContact CB-OE1 3.22Å; Y173-E182 HydrophobicContact CD2-CB 3.52Å; Y173-E182 HydrophobicContact CD2-CG 3.6Å; Y173-E182 HydrophobicContact CE2-CB 3.75Å; Y173-E182 HydrophobicContact CE2-CG 4.35Å; Y173-E182 HydrophobicContact CG-CB 4.35Å; Y173-E182 HydrophobicContact CG-CG 4.12Å; A180-E182 PolarHBondContact O-N 2.83Å; E182-R208 VanDerWaalsContact CD-NH1 3.27Å; E182-R208 IonicContact OE1-CZ 3.46Å; E182-R208 IonicContact OE1-NH1 2.86Å; E182-R208 PolarHBondContact OE1-NH1 3.24Å; E182-R208 IonicContact OE1-NH2 3.15Å; E182-R208 PolarHBondContact OE1-NH2 3.2Å; E182-R208 VanDerWaalsContact OE1-NH2 3.15Å; E182-R208 IonicContact OE2-NH1 3.5Å; E182-R208 PolarHBondContact OE2-NH1 3.16Å
183L87.8Confident85.3Confident18 Ų1869.9 Ų69.99%0.09437%0.372CS..  trans-111.2127.2-176.4-65175.3000110T174 C176 Y191 C194 L203T174-L183 PolarHBondContact O-N 3.18Å; T174-L183 VanDerWaalsContact O-N 3.13Å; C176-L183 HydrophobicContact CB-CD1 4.29Å; L183-Y191 HydrophobicContact CB-CD1 4.02Å; L183-Y191 WeakPolarHBondContact O-CD1 3.07Å; L183-C194 HydrophobicContact CD2-CB 3.88Å; L183-L203 HydrophobicContact CD1-CD2 3.29Å
184D86.4Confident85.2Confident123 Ų12369.4 Ų69.466%0.65837%0.372SS*.  trans-72.1158.3172.8-64.2-44.7000110.8Y191 T192D184-Y191 WeakPolarHBondContact O-CA 3.42Å; D184-T192 PolarHBondContact O-N 3.17Å; D184-T192 PolarHBondContact O-OG1 2.79Å
185T85.7Confident84.8Confident75 Ų7577 Ų7746%0.4640%0.399SS..BIsolated β-bridgetrans-103.5144.4171.852.30000110.1I190 Y191T185-I190 CarbonylContact C-O 3.58Å; T185-I190 VanDerWaalsContact CA-O 3.31Å; T185-I190 WeakPolarHBondContact CA-O 3.04Å; T185-Y191 HydrophobicContact CG2-CD1 3.6Å; T185-Y191 HydrophobicContact CG2-CE1 3.6Å; T185-Y191 HydrophobicContact CG2-CG 4.09Å
186D85.5Confident84.5Confident66 Ų6681.4 Ų81.435%0.35344%0.436SS..  trans-73.9-177.6171.275.34.2000111.4N188 G189 I190D186-N188 PolarHBondContact O-N 2.61Å; D186-N188 WeakPolarHBondContact OD1-CA 3.47Å; D186-N188 WeakPolarHBondContact OD1-CB 3.17Å; D186-N188 PolarHBondContact OD1-N 3.03Å; D186-G189 PolarHBondContact O-N 3.17Å; D186-G189 PolarHBondContact OD1-N 2.99Å; D186-I190 PolarHBondContact N-O 3.14Å; D186-I190 PolarHBondContact OD1-N 2.91Å
187R87.5Confident84.3Confident253 Ų25381.6 Ų81.696%0.95544%0.437SS*.THydrogen-bonded Turntrans-60.4-18.4179.9-62.8-179.2-177.9177.90.3113.9
188N86.9Confident84.3Confident131 Ų13184.2 Ų84.270%0.70144%0.443SS*.THydrogen-bonded Turntrans-98.55.5179.4-55.8-48.4000112D186 I190D186-N188 PolarHBondContact O-N 2.61Å; D186-N188 WeakPolarHBondContact OD1-CA 3.47Å; D186-N188 WeakPolarHBondContact OD1-CB 3.17Å; D186-N188 PolarHBondContact OD1-N 3.03Å; N188-I190 VanDerWaalsContact C-N 3.29Å; N188-I190 HydrophobicContact CB-CD1 4.27Å; N188-I190 HydrophobicContact CB-CG1 4.25Å
189G82.9Confident83.9Confident49 Ų4982 Ų8251%0.50545%0.451SS..SBendtrans76.414.7-177.200000113.7D186D186-G189 PolarHBondContact O-N 3.17Å; D186-G189 PolarHBondContact OD1-N 2.99Å
190I84.3Confident83.5Confident105 Ų10582.5 Ų82.554%0.53845%0.449SS..PPolyproline II helixtrans-90129.4179.2-57.9175.5000108.7T185 D186 N188 T192T185-I190 CarbonylContact C-O 3.58Å; T185-I190 VanDerWaalsContact CA-O 3.31Å; T185-I190 WeakPolarHBondContact CA-O 3.04Å; D186-I190 PolarHBondContact N-O 3.14Å; D186-I190 PolarHBondContact OD1-N 2.91Å; N188-I190 VanDerWaalsContact C-N 3.29Å; N188-I190 HydrophobicContact CB-CD1 4.27Å; N188-I190 HydrophobicContact CB-CG1 4.25Å; I190-T192 PolarHBondContact O-N 3.35Å
191Y85.8Confident82.9Confident88 Ų8885.8 Ų85.835%0.34547%0.466SS..BIsolated β-bridgetrans-60.9126.7176.5-71-74.6000111.3T174 L183 D184 T185 L203T174-Y191 VanDerWaalsContact CB-CZ 3.45Å; T174-Y191 VanDerWaalsContact CB-OH 3.28Å; T174-Y191 WeakPolarHBondContact CB-OH 3.45Å; T174-Y191 HydrophobicContact CG2-CD1 4.2Å; T174-Y191 HydrophobicContact CG2-CD2 4.28Å; T174-Y191 HydrophobicContact CG2-CE1 3.75Å; T174-Y191 HydrophobicContact CG2-CE2 3.81Å; T174-Y191 HydrophobicContact CG2-CG 4.45Å; T174-Y191 PolarHBondContact OG1-OH 3.32Å; L183-Y191 HydrophobicContact CB-CD1 4.02Å; L183-Y191 WeakPolarHBondContact O-CD1 3.07Å; D184-Y191 WeakPolarHBondContact O-CA 3.42Å; T185-Y191 HydrophobicContact CG2-CD1 3.6Å; T185-Y191 HydrophobicContact CG2-CE1 3.6Å; T185-Y191 HydrophobicContact CG2-CG 4.09Å; Y191-L203 HydrophobicContact CD2-CD1 3.5Å; Y191-L203 VanDerWaalsContact CD2-CD1 3.5Å; Y191-L203 HydrophobicContact CE2-CD1 4.34Å; Y191-L203 HydrophobicContact CG-CD1 3.95Å; Y191-L203 HydrophobicContact CG-CD2 4.18Å
192T86.5Confident83Confident44 Ų4485.9 Ų85.927%0.2747%0.467SS..PPolyproline II helixtrans-62.6143.5172.656.90000110.2D184 I190D184-T192 PolarHBondContact O-N 3.17Å; D184-T192 PolarHBondContact O-OG1 2.79Å; I190-T192 PolarHBondContact O-N 3.35Å
193P83.4Confident83Confident50 Ų5085.9 Ų85.933%0.32547%0.469SS..PPolyproline II helixtrans-68.1143.2177.927.7-33.1000110.2Y195 L198P193-Y195 HydrophobicContact CG-CE1 4.07Å; P193-Y195 PolarHBondContact O-N 3.15Å; P193-L198 HydrophobicContact CB-CD2 4.18Å
194C85.6Confident83Confident12 Ų1290.5 Ų90.58%0.08149%0.485CS..  trans-70.396.3168.3-172.70000109.5C176 C179 L183 A196 C197 L198C176-C194 HydrophobicContact CB-CB 3.74Å; C179-C194 VanDerWaalsContact SG-SG 3.6Å; L183-C194 HydrophobicContact CD2-CB 3.88Å; C194-A196 PolarHBondContact O-N 3.49Å; C194-A196 VanDerWaalsContact O-N 3.17Å; C194-C197 HydrophobicContact CB-CB 4.02Å; C194-C197 PolarHBondContact O-N 3.15Å; C194-L198 PolarHBondContact O-N 3.24Å
195Y81.5Confident83.1Confident178 Ų17887.6 Ų87.670%0.69847%0.465SS*.G310 helixtrans-55.6-35.1-178.4-68.3-71.8000113.1P193 C197 L198P193-Y195 HydrophobicContact CG-CE1 4.07Å; P193-Y195 PolarHBondContact O-N 3.15Å; Y195-C197 VanDerWaalsContact C-N 3.27Å; Y195-C197 PolarHBondContact O-N 3.24Å; Y195-L198 HydrophobicContact CD1-CD1 4.01Å
196A81.3Confident83.2Confident93 Ų9384.4 Ų84.477%0.76945%0.445SS*.G310 helixtrans-69.2-20.2177.300000114.2C194C194-A196 PolarHBondContact O-N 3.49Å; C194-A196 VanDerWaalsContact O-N 3.17Å
197C81.6Confident83.4Confident7 Ų781.3 Ų81.35%0.04743%0.429CS..G310 helixtrans-112.23.2-174.8-700000114.1R178 C194 Y195 L200R178-C197 HydrophobicContact CB-CB 4.22Å; C194-C197 HydrophobicContact CB-CB 4.02Å; C194-C197 PolarHBondContact O-N 3.15Å; Y195-C197 VanDerWaalsContact C-N 3.27Å; Y195-C197 PolarHBondContact O-N 3.24Å; C197-L200 WeakPolarHBondContact O-CB 3.35Å; C197-L200 PolarHBondContact O-N 2.76Å
198L81.3Confident83.5Confident87 Ų8770.2 Ų70.246%0.45539%0.387SS..THydrogen-bonded Turntrans-51.1143.1177.8-74174.8000111.8P193 C194 Y195 L200P193-L198 HydrophobicContact CB-CD2 4.18Å; C194-L198 PolarHBondContact O-N 3.24Å; Y195-L198 HydrophobicContact CD1-CD1 4.01Å; L198-L200 VanDerWaalsContact C-N 3.33Å
199P74.5Confident83.6Confident123 Ų12365.9 Ų65.980%0.79937%0.365SS*.THydrogen-bonded Turncis-84.995.435.5-36.6000114.3T201P199-T201 PolarHBondContact O-N 2.9Å
200L69.1Low84Confident76 Ų7663.5 Ų63.540%0.39834%0.341SS..  trans-76.3112.3-176.1-176.458.5000111.4R178 C197 L198 A202R178-L200 HydrophobicContact CB-CD2 3.68Å; R178-L200 HydrophobicContact CG-CD2 4.18Å; C197-L200 WeakPolarHBondContact O-CB 3.35Å; C197-L200 PolarHBondContact O-N 2.76Å; L198-L200 VanDerWaalsContact C-N 3.33Å; L200-A202 HydrophobicContact CD1-CB 3.75Å; L200-A202 HydrophobicContact CG-CB 4.22Å
201T74.1Confident84.4Confident93 Ų9360 Ų6057%0.57133%0.325SS*.  trans-105.19.1179.955.50000113.4P199 L203P199-T201 PolarHBondContact O-N 2.9Å; T201-L203 PolarHBondContact O-N 2.81Å
202A83.4Confident84.7Confident46 Ų4655.9 Ų55.938%0.3831%0.308SS..  trans-56.4126179.600000110.2G177 L200G177-A202 PolarHBondContact N-O 2.84Å; L200-A202 HydrophobicContact CD1-CB 3.75Å; L200-A202 HydrophobicContact CG-CB 4.22Å
203L88.3Confident85Confident87 Ų8755.3 Ų55.346%0.45531%0.305SS..EExtended strand (participates in β ladder)trans-96140.8173.1-59.6175.7000108.8T174 L183 Y191 T201T174-L203 HydrophobicContact CG2-CB 4.26Å; L183-L203 HydrophobicContact CD1-CD2 3.29Å; Y191-L203 HydrophobicContact CD2-CD1 3.5Å; Y191-L203 VanDerWaalsContact CD2-CD1 3.5Å; Y191-L203 HydrophobicContact CE2-CD1 4.34Å; Y191-L203 HydrophobicContact CG-CD1 3.95Å; Y191-L203 HydrophobicContact CG-CD2 4.18Å; T201-L203 PolarHBondContact O-N 2.81Å
204R87.6Confident85.4Confident114 Ų11453 Ų5343%0.4329%0.29SS..EExtended strand (participates in β ladder)trans-144147.9173.5178.5172.6172.1-173-2.1109.4G175 F206G175-R204 PolarHBondContact N-O 3.38Å; G175-R204 PolarHBondContact O-N 2.81Å; G175-R204 VanDerWaalsContact O-O 3.09Å; R204-F206 HydrophobicContact CB-CE2 3.72Å; R204-F206 HydrophobicContact CB-CZ 3.77Å; R204-F206 HydrophobicContact CG-CE1 4.15Å; R204-F206 HydrophobicContact CG-CE2 4.01Å; R204-F206 HydrophobicContact CG-CZ 3.78Å; R204-F206 VanDerWaalsContact O-CD2 3.24Å; R204-F206 WeakPolarHBondContact O-CD2 3.22Å; R204-F206 VanDerWaalsContact O-CE2 3.28Å; R204-F206 WeakPolarHBondContact O-CE2 3.42Å
205R88Confident85.6Confident63 Ų6352.9 Ų52.924%0.23829%0.289CS..EExtended strand (participates in β ladder)trans-86.8140.3172-162.1168.4-76.1179.6-9.7111.1Y173 P239 D240Y173-R205 WeakPolarHBondContact O-CA 3.44Å; Y173-R205 WeakPolarHBondContact O-CG 3.39Å; R205-P239 HydrophobicContact CB-CG 4.31Å; R205-P239 HydrophobicContact CG-CB 4.14Å; R205-P239 HydrophobicContact CG-CG 4.46Å; R205-P239 VanDerWaalsContact O-CG 3.23Å; R205-P239 WeakPolarHBondContact O-CG 3.36Å; R205-D240 WeakPolarHBondContact CB-OD1 3.44Å; R205-D240 WeakPolarHBondContact CD-OD1 3.28Å; R205-D240 IonicContact NE-OD1 2.92Å
206F88.7Confident85.8Confident8 Ų844.7 Ų44.74%0.03526%0.259CS..EExtended strand (participates in β ladder)trans-130.6154.5-178.9-63.3-80.4000109.8T172 Y173 C176 A180 R204 P228T172-F206 CarbonylContact C-O 3.47Å; T172-F206 WeakPolarHBondContact CA-O 3.48Å; T172-F206 WeakPolarHBondContact CB-O 3.34Å; Y173-F206 HydrophobicContact CD1-CB 4.25Å; Y173-F206 HydrophobicContact CE1-CB 3.69Å; Y173-F206 HydrophobicContact CE2-CB 4.16Å; Y173-F206 HydrophobicContact CE2-CD2 4.2Å; Y173-F206 PolarHBondContact N-O 2.92Å; Y173-F206 PolarHBondContact O-N 2.74Å; C176-F206 WeakPolarHBondContact O-CE2 3.31Å; A180-F206 HydrophobicContact CB-CD1 4.02Å; A180-F206 HydrophobicContact CB-CD2 4.16Å; A180-F206 HydrophobicContact CB-CE1 3.76Å; A180-F206 HydrophobicContact CB-CE2 3.92Å; A180-F206 HydrophobicContact CB-CG 4.21Å; A180-F206 HydrophobicContact CB-CZ 3.69Å; R204-F206 HydrophobicContact CB-CE2 3.72Å; R204-F206 HydrophobicContact CB-CZ 3.77Å; R204-F206 HydrophobicContact CG-CE1 4.15Å; R204-F206 HydrophobicContact CG-CE2 4.01Å; R204-F206 HydrophobicContact CG-CZ 3.78Å; R204-F206 VanDerWaalsContact O-CD2 3.24Å; R204-F206 WeakPolarHBondContact O-CD2 3.22Å; R204-F206 VanDerWaalsContact O-CE2 3.28Å; R204-F206 WeakPolarHBondContact O-CE2 3.42Å; F206-P228 HydrophobicContact CB-CB 3.92Å; F206-P228 HydrophobicContact CB-CG 4.31Å; F206-P228 HydrophobicContact CD1-CB 4.12Å; F206-P228 HydrophobicContact CG-CB 4.44Å
207Y89.3Confident85.6Confident1 Ų149.7 Ų49.70%0.00426%0.258CS..EExtended strand (participates in β ladder)trans-71.3144.3164.5-73.9-77.6000110.1I171 T172 Y173 P228 L231 Q232 L235 A237 P239 L242I171-Y207 HydrophobicContact CD1-CD1 4.22Å; I171-Y207 HydrophobicContact CD1-CE1 4.06Å; I171-Y207 CarbonylContact O-C 3.58Å; I171-Y207 WeakPolarHBondContact O-CA 3.47Å; T172-Y207 HydrophobicContact CG2-CD1 4.07Å; T172-Y207 HydrophobicContact CG2-CE1 4.28Å; Y173-Y207 VanDerWaalsContact CE1-O 3.27Å; Y173-Y207 WeakPolarHBondContact CE1-O 3.39Å; Y207-P228 VanDerWaalsContact O-CB 3.31Å; Y207-P228 WeakPolarHBondContact O-CB 3.41Å; Y207-P228 VanDerWaalsContact O-CG 3.27Å; Y207-P228 WeakPolarHBondContact O-CG 3.15Å; Y207-L231 HydrophobicContact CG-CD2 4.3Å; Y207-L231 HydrophobicContact CG-CG 4.26Å; Y207-Q232 HydrophobicContact CD2-CB 3.89Å; Y207-Q232 HydrophobicContact CE2-CB 3.85Å; Y207-Q232 HydrophobicContact CE2-CG 4.05Å; Y207-L235 HydrophobicContact CD1-CD1 3.89Å; Y207-L235 HydrophobicContact CE1-CD1 3.47Å; Y207-L235 VanDerWaalsContact CE1-CD1 3.47Å; Y207-L235 HydrophobicContact CE2-CD1 4.25Å; Y207-L235 HydrophobicContact CG-CD1 4.4Å; Y207-A237 WeakPolarHBondContact CE2-O 3.43Å; Y207-A237 PolarHBondContact OH-O 2.76Å; Y207-P239 HydrophobicContact CD2-CB 4.01Å; Y207-P239 HydrophobicContact CD2-CG 4.42Å; Y207-P239 HydrophobicContact CE1-CB 4.39Å; Y207-P239 HydrophobicContact CE2-CB 3.84Å; Y207-P239 HydrophobicContact CE2-CG 4.27Å; Y207-P239 HydrophobicContact CG-CB 4.33Å; Y207-L242 HydrophobicContact CE1-CD1 3.4Å; Y207-L242 VanDerWaalsContact CE1-CD1 3.4Å; Y207-L242 WeakPolarHBondContact OH-CD1 3.09Å
208R89.3Confident84.9Confident20 Ų2051.5 Ų51.58%0.07528%0.278CS..PPolyproline II helixtrans-58.7136164.9-68.5-158-175.9-75.2-2.1108.8D170 I171 Y173 E182 L231D170-R208 PolarHBondContact O-NE 3.19Å; D170-R208 IonicContact OD1-NH2 3.24Å; D170-R208 IonicContact OD2-CZ 2.96Å; D170-R208 IonicContact OD2-NE 3.24Å; D170-R208 PolarHBondContact OD2-NE 3.27Å; D170-R208 IonicContact OD2-NH2 2.9Å; D170-R208 PolarHBondContact OD2-NH2 3.2Å; I171-R208 PolarHBondContact O-N 3.19Å; Y173-R208 HydrophobicContact CD1-CG 3.97Å; E182-R208 VanDerWaalsContact CD-NH1 3.27Å; E182-R208 IonicContact OE1-CZ 3.46Å; E182-R208 IonicContact OE1-NH1 2.86Å; E182-R208 PolarHBondContact OE1-NH1 3.24Å; E182-R208 IonicContact OE1-NH2 3.15Å; E182-R208 PolarHBondContact OE1-NH2 3.2Å; E182-R208 VanDerWaalsContact OE1-NH2 3.15Å; E182-R208 IonicContact OE2-NH1 3.5Å; E182-R208 PolarHBondContact OE2-NH1 3.16Å; R208-L231 WeakPolarHBondContact O-CD2 3.44Å
209P89.7Confident83.8Confident39 Ų3952 Ų5225%0.25329%0.289SS..PPolyproline II helixtrans-55.1150.9178.3-23.132.8000111.3Q141 V226 P228Q141-P209 VanDerWaalsContact CB-O 3.3Å; Q141-P209 WeakPolarHBondContact CB-O 3.38Å; Q141-P209 PolarHBondContact N-O 2.85Å; P209-V226 CarbonylContact C-O 3.56Å; P209-V226 WeakPolarHBondContact CA-O 3.45Å; P209-P228 HydrophobicContact CG-CG 4.33Å
210G90.9Very high83.5Confident0 Ų047.9 Ų47.90%026%0.262CS..EExtended strand (participates in β ladder)trans-115.4174177.400000112.9Q139 V226Q139-G210 CarbonylContact O-C 3.55Å; Q139-G210 WeakPolarHBondContact O-CA 3.46Å; G210-V226 PolarHBondContact N-O 2.9Å; G210-V226 PolarHBondContact O-N 3.05Å
211V92.8Very high84.2Confident31 Ų3150.6 Ų50.619%0.18827%0.273CS..EExtended strand (participates in β ladder)trans-125.8126.4168.6-177.50000107.8F138 Q139 Q141 T223 V224F138-V211 WeakPolarHBondContact CA-O 3.33Å; Q139-V211 PolarHBondContact N-O 2.94Å; Q139-V211 PolarHBondContact O-N 3.3Å; Q141-V211 HydrophobicContact CG-CG2 3.9Å; V211-T223 HydrophobicContact CG1-CG2 4.37Å; V211-V224 WeakPolarHBondContact CA-O 3.41Å
212L92.5Very high84.8Confident1 Ų146.7 Ų46.71%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-98.8131.7169.1-76.8166.9000109V135 F138 V214 T223 V224 V226 L275 L306 L309V135-L212 HydrophobicContact CG1-CD2 3.68Å; F138-L212 HydrophobicContact CB-CD2 3.97Å; F138-L212 HydrophobicContact CD2-CD2 3.59Å; F138-L212 HydrophobicContact CD2-CG 3.93Å; F138-L212 HydrophobicContact CG-CD2 4.23Å; L212-V214 HydrophobicContact CB-CG1 4.2Å; L212-T223 CarbonylContact O-C 3.4Å; L212-T223 WeakPolarHBondContact O-CA 3.46Å; L212-V224 HydrophobicContact CB-CB 4.4Å; L212-V224 PolarHBondContact N-O 2.79Å; L212-V224 PolarHBondContact O-N 2.8Å; L212-V226 HydrophobicContact CB-CG2 4.16Å; L212-V226 HydrophobicContact CD1-CG2 3.47Å; L212-V226 VanDerWaalsContact CD1-CG2 3.47Å; L212-V226 HydrophobicContact CG-CG2 3.54Å; L212-L275 HydrophobicContact CD2-CD2 4.22Å; L212-L306 HydrophobicContact CD1-CD2 4.13Å; L212-L309 HydrophobicContact CD1-CD1 4.27Å
213T92.4Very high85.2Confident33 Ų3348.7 Ų48.720%0.20226%0.256CS..EExtended strand (participates in β ladder)trans-98.1121.9166-47.60000107.8L136 S137 H221 L222L136-T213 WeakPolarHBondContact CA-O 3.18Å; L136-T213 HydrophobicContact CB-CG2 4.49Å; L136-T213 WeakPolarHBondContact CB-O 3.33Å; L136-T213 HydrophobicContact CD1-CG2 4.12Å; L136-T213 PolarHBondContact N-O 3.48Å; S137-T213 PolarHBondContact N-O 3.42Å; S137-T213 PolarHBondContact O-N 3.09Å; S137-T213 VanDerWaalsContact OG-CB 3.3Å; S137-T213 WeakPolarHBondContact OG-CB 3.46Å; S137-T213 PolarHBondContact OG-OG1 2.94Å; S137-T213 VanDerWaalsContact OG-OG1 3.05Å; T213-H221 HydrophobicContact CG2-CB 4.14Å; T213-L222 CarbonylContact C-O 3.58Å; T213-L222 WeakPolarHBondContact CA-O 3.4Å
214V91.6Very high85.3Confident0 Ų044.6 Ų44.60%023%0.234CC..EExtended strand (participates in β ladder)trans-125.5157.1-177.3-54.20000111.2V133 Q134 V135 L212 H221 L222 V224 I285V133-V214 HydrophobicContact CB-CB 3.91Å; V133-V214 HydrophobicContact CB-CG2 4.1Å; V133-V214 HydrophobicContact CG1-CB 4.42Å; V133-V214 HydrophobicContact CG1-CG2 4.05Å; V133-V214 HydrophobicContact CG2-CB 3.77Å; V133-V214 HydrophobicContact CG2-CG1 3.97Å; V133-V214 HydrophobicContact CG2-CG2 4.11Å; Q134-V214 CarbonylContact O-C 3.42Å; Q134-V214 WeakPolarHBondContact O-CA 3.49Å; Q134-V214 WeakPolarHBondContact O-CB 3.31Å; V135-V214 HydrophobicContact CG2-CG1 4.3Å; L212-V214 HydrophobicContact CB-CG1 4.2Å; V214-H221 CarbonylContact O-C 3.56Å; V214-H221 WeakPolarHBondContact O-CA 3.33Å; V214-L222 HydrophobicContact CG2-CB 3.8Å; V214-L222 HydrophobicContact CG2-CD2 4.19Å; V214-L222 HydrophobicContact CG2-CG 4.37Å; V214-L222 PolarHBondContact N-O 2.95Å; V214-L222 PolarHBondContact O-N 2.8Å; V214-V224 HydrophobicContact CG2-CG2 4.09Å; V214-I285 HydrophobicContact CG2-CD1 4.37Å
215S90.3Very high85.6Confident10 Ų1045.1 Ų45.17%0.0724%0.236CC..EExtended strand (participates in β ladder)trans-127.6147.8171.761.90000113.1V133 Q134 L136 P220V133-S215 CarbonylContact C-O 3.55Å; V133-S215 VanDerWaalsContact CA-O 3.31Å; V133-S215 WeakPolarHBondContact CA-O 3.46Å; V133-S215 WeakPolarHBondContact CB-O 3.47Å; Q134-S215 PolarHBondContact N-O 3.45Å; Q134-S215 PolarHBondContact O-N 3.48Å; L136-S215 WeakPolarHBondContact CD2-OG 2.93Å; S215-P220 WeakPolarHBondContact CA-O 3.32Å
216G85.4Confident85.8Confident7 Ų742.1 Ų42.17%0.07223%0.225CC..  trans-86.9-161.7168.600000112.2
217R77.3Confident85.9Confident198 Ų19843.6 Ų43.675%0.74724%0.236SC*.SBendtrans-77.8-32178.2-66.4-178.3-178.6-145.32.8112.2S219 W282R217-S219 PolarHBondContact O-N 2.84Å; R217-W282 HydrophobicContact CB-CH2 4.31Å; R217-W282 HydrophobicContact CG-CH2 3.47Å; R217-W282 VanDerWaalsContact CG-CH2 3.47Å; R217-W282 HydrophobicContact CG-CZ2 4.02Å; R217-W282 HydrophobicContact CG-CZ3 4.18Å
218G65.6Low85.7Confident45 Ų4544.3 Ų44.346%0.46424%0.24SC..SBendtrans-83.77.1-176.200000116.9D118 P220D118-G218 PolarHBondContact OD2-N 2.76Å; D118-G218 VanDerWaalsContact OD2-N 3.16Å; G218-P220 WeakPolarHBondContact O-CD 3.4Å
219S59Low85.5Confident97 Ų9747.2 Ų47.268%0.67826%0.26SS*.  trans75.14.7-176.4-350000119.8R217R217-S219 PolarHBondContact O-N 2.84Å
220P68.2Low85.4Confident37 Ų3745.9 Ų45.924%0.2425%0.251CS..  trans-73.1137.7169.729.2-31.6000110.7L117 D118 L121 S215 G218L117-P220 HydrophobicContact CD2-CG 4.08Å; L117-P220 HydrophobicContact CG-CG 4.42Å; D118-P220 VanDerWaalsContact OD1-CD 3.29Å; D118-P220 WeakPolarHBondContact OD1-CD 3.36Å; D118-P220 WeakPolarHBondContact OD1-CG 3.16Å; L121-P220 HydrophobicContact CD1-CB 4.12Å; L121-P220 HydrophobicContact CD1-CG 4.17Å; S215-P220 WeakPolarHBondContact CA-O 3.32Å; G218-P220 WeakPolarHBondContact O-CD 3.4Å
221H83.1Confident85.4Confident133 Ų13345.9 Ų45.962%0.61625%0.251SS*.EExtended strand (participates in β ladder)trans-90.3129.7170.6-58.9-38.8000109.5L136 T213 V214L136-H221 VanDerWaalsContact CD1-CE1 3.42Å; L136-H221 WeakPolarHBondContact CD1-CE1 3.49Å; L136-H221 WeakPolarHBondContact CD1-ND1 3.49Å; T213-H221 HydrophobicContact CG2-CB 4.14Å; V214-H221 CarbonylContact O-C 3.56Å; V214-H221 WeakPolarHBondContact O-CA 3.33Å
222L87.9Confident85.2Confident10 Ų1046.9 Ų46.95%0.05225%0.254CS..EExtended strand (participates in β ladder)trans-113.2133.7177.1-179.170.2000109.6L117 L121 L131 T213 V214 V224 F304L117-L222 HydrophobicContact CD1-CB 4.04Å; L117-L222 HydrophobicContact CD1-CD2 3.62Å; L117-L222 HydrophobicContact CD1-CG 4.26Å; L117-L222 HydrophobicContact CD2-CB 4.17Å; L121-L222 HydrophobicContact CD2-CD1 4.32Å; L131-L222 HydrophobicContact CD1-CD2 4.37Å; T213-L222 CarbonylContact C-O 3.58Å; T213-L222 WeakPolarHBondContact CA-O 3.4Å; V214-L222 HydrophobicContact CG2-CB 3.8Å; V214-L222 HydrophobicContact CG2-CD2 4.19Å; V214-L222 HydrophobicContact CG2-CG 4.37Å; V214-L222 PolarHBondContact N-O 2.95Å; V214-L222 PolarHBondContact O-N 2.8Å; L222-V224 HydrophobicContact CD2-CG2 3.7Å; L222-V224 HydrophobicContact CG-CG2 4.01Å; L222-F304 HydrophobicContact CD1-CD1 4.43Å; L222-F304 HydrophobicContact CD1-CD2 3.29Å; L222-F304 HydrophobicContact CD1-CE1 4.35Å; L222-F304 HydrophobicContact CD1-CE2 3.19Å; L222-F304 HydrophobicContact CD1-CG 3.94Å; L222-F304 HydrophobicContact CD1-CZ 3.74Å; L222-F304 HydrophobicContact CD2-CB 4.46Å; L222-F304 HydrophobicContact CD2-CD1 4.09Å; L222-F304 HydrophobicContact CD2-CD2 4.22Å; L222-F304 HydrophobicContact CD2-CE1 4.41Å; L222-F304 HydrophobicContact CD2-CG 3.98Å; L222-F304 HydrophobicContact CG-CD2 4.07Å; L222-F304 HydrophobicContact CG-CE2 4.35Å; L222-F304 HydrophobicContact CG-CG 4.3Å
223T90.6Very high85Confident89 Ų8952.6 Ų52.655%0.54628%0.279SS..EExtended strand (participates in β ladder)trans-94.4124.4170.352.20000110.2V211 L212V211-T223 HydrophobicContact CG1-CG2 4.37Å; L212-T223 CarbonylContact O-C 3.4Å; L212-T223 WeakPolarHBondContact O-CA 3.46Å
224V92.3Very high84.8Confident1 Ų151.9 Ų51.91%0.00627%0.274CS..EExtended strand (participates in β ladder)trans-119.1120.4-178.9-176.20000108.8V211 L212 V214 L222 I285 V287 F304 L306V211-V224 WeakPolarHBondContact CA-O 3.41Å; L212-V224 HydrophobicContact CB-CB 4.4Å; L212-V224 PolarHBondContact N-O 2.79Å; L212-V224 PolarHBondContact O-N 2.8Å; V214-V224 HydrophobicContact CG2-CG2 4.09Å; L222-V224 HydrophobicContact CD2-CG2 3.7Å; L222-V224 HydrophobicContact CG-CG2 4.01Å; V224-I285 HydrophobicContact CG2-CD1 4.33Å; V224-V287 HydrophobicContact CG1-CG1 3.88Å; V224-V287 HydrophobicContact CG2-CG1 4.42Å; V224-F304 HydrophobicContact CB-CB 4.48Å; V224-F304 HydrophobicContact CG1-CB 4.34Å; V224-F304 HydrophobicContact CG2-CB 4.15Å; V224-L306 HydrophobicContact CG1-CB 3.9Å; V224-L306 HydrophobicContact CG1-CD1 4.47Å
225R92.8Very high84.7Confident124 Ų12451.9 Ų51.947%0.46827%0.274SS..EExtended strand (participates in β ladder)trans-69.6133.5173.1-61.5-172.7-171.9-165.310.2109.3P227 D303 F304 T305 L306R225-P227 WeakPolarHBondContact O-CD 3.2Å; R225-D303 IonicContact CZ-OD2 2.9Å; R225-D303 IonicContact NH2-OD1 3.57Å; R225-D303 IonicContact NH2-OD2 3.88Å; R225-D303 PolarHBondContact NH2-OD2 2.76Å; R225-F304 PolarHBondContact N-O 2.79Å; R225-T305 WeakPolarHBondContact O-CA 3.34Å; R225-L306 PolarHBondContact O-N 3.4Å
226V93.1Very high84.5Confident0 Ų057.2 Ų57.20%030%0.297CS..EExtended strand (participates in β ladder)trans-111.1103179-171.80000108.7F138 P209 G210 L212 P230 L231 I234 L306F138-V226 HydrophobicContact CE2-CG2 4.41Å; P209-V226 CarbonylContact C-O 3.56Å; P209-V226 WeakPolarHBondContact CA-O 3.45Å; G210-V226 PolarHBondContact N-O 2.9Å; G210-V226 PolarHBondContact O-N 3.05Å; L212-V226 HydrophobicContact CB-CG2 4.16Å; L212-V226 HydrophobicContact CD1-CG2 3.47Å; L212-V226 VanDerWaalsContact CD1-CG2 3.47Å; L212-V226 HydrophobicContact CG-CG2 3.54Å; V226-P230 HydrophobicContact CG1-CB 4.32Å; V226-L231 HydrophobicContact CG1-CB 3.83Å; V226-L231 HydrophobicContact CG1-CD1 4.29Å; V226-I234 HydrophobicContact CG1-CD1 4.2Å; V226-L306 HydrophobicContact CG1-CD2 3.93Å; V226-L306 HydrophobicContact CG2-CB 4.44Å; V226-L306 HydrophobicContact CG2-CD2 4.18Å
227P89.2Confident84.6Confident40 Ų4057 Ų5726%0.2630%0.295SS..  trans-64.2164.6175.3-19.631.4000112.3R225 V229 P230 L231 T305 L306R225-P227 WeakPolarHBondContact O-CD 3.2Å; P227-V229 VanDerWaalsContact C-N 3.26Å; P227-V229 PolarHBondContact O-N 3.35Å; P227-V229 VanDerWaalsContact O-N 3.17Å; P227-P230 WeakPolarHBondContact O-CD 3.34Å; P227-L231 WeakPolarHBondContact O-CB 3.44Å; P227-L231 PolarHBondContact O-N 2.94Å; P227-L231 VanDerWaalsContact O-N 3.1Å; P227-T305 HydrophobicContact CG-CG2 3.42Å; P227-T305 VanDerWaalsContact CG-CG2 3.42Å; P227-L306 WeakPolarHBondContact CD-O 3.47Å
228P86.2Confident85Confident16 Ų1649.7 Ų49.710%0.10427%0.273CS..Hα-helixtrans-58.5-33.5-176.5-25.833.9000114.7Y173 F206 Y207 P209 Q232Y173-P228 HydrophobicContact CE1-CG 4.44Å; F206-P228 HydrophobicContact CB-CB 3.92Å; F206-P228 HydrophobicContact CB-CG 4.31Å; F206-P228 HydrophobicContact CD1-CB 4.12Å; F206-P228 HydrophobicContact CG-CB 4.44Å; Y207-P228 VanDerWaalsContact O-CB 3.31Å; Y207-P228 WeakPolarHBondContact O-CB 3.41Å; Y207-P228 VanDerWaalsContact O-CG 3.27Å; Y207-P228 WeakPolarHBondContact O-CG 3.15Å; P209-P228 HydrophobicContact CG-CG 4.33Å; P228-Q232 WeakPolarHBondContact O-CB 3.32Å; P228-Q232 PolarHBondContact O-N 3.07Å
229V85.3Confident85.9Confident81 Ų8147.7 Ų47.749%0.49125%0.252SS..Hα-helixtrans-71.4-53.5-176.5172.70000112P227 L231 Q232 K233P227-V229 VanDerWaalsContact C-N 3.26Å; P227-V229 PolarHBondContact O-N 3.35Å; P227-V229 VanDerWaalsContact O-N 3.17Å; V229-L231 VanDerWaalsContact C-N 3.26Å; V229-L231 PolarHBondContact O-N 3.47Å; V229-Q232 PolarHBondContact O-N 3.22Å; V229-K233 PolarHBondContact O-N 2.84Å
230P87Confident87Confident11 Ų1147.2 Ų47.27%0.07124%0.242CC..Hα-helixtrans-57.9-37.8170.3-27.335.5000113.1V226 P227 Q232 K233 I234 L306V226-P230 HydrophobicContact CG1-CB 4.32Å; P227-P230 WeakPolarHBondContact O-CD 3.34Å; P230-Q232 PolarHBondContact O-N 3.28Å; P230-K233 WeakPolarHBondContact O-CB 3.42Å; P230-K233 PolarHBondContact O-N 2.94Å; P230-K233 VanDerWaalsContact O-N 3.13Å; P230-I234 WeakPolarHBondContact O-CG1 3.38Å; P230-I234 PolarHBondContact O-N 3.19Å; P230-L306 HydrophobicContact CB-CD2 3.99Å; P230-L306 HydrophobicContact CB-CG 4.36Å; P230-L306 WeakPolarHBondContact CG-O 3.34Å
231L90.6Very high87.4Confident0 Ų052.2 Ų52.20%026%0.256CS..Hα-helixtrans-62.1-43.2179-17350.9000112.3F138 F140 Y207 R208 V226 P227 V229 K233 I234 L235F138-L231 HydrophobicContact CE2-CD1 3.89Å; F138-L231 HydrophobicContact CZ-CD1 3.56Å; F138-L231 HydrophobicContact CZ-CD2 4.21Å; F140-L231 HydrophobicContact CD1-CD2 4.23Å; F140-L231 HydrophobicContact CE1-CD2 3.89Å; Y207-L231 HydrophobicContact CG-CD2 4.3Å; Y207-L231 HydrophobicContact CG-CG 4.26Å; R208-L231 WeakPolarHBondContact O-CD2 3.44Å; V226-L231 HydrophobicContact CG1-CB 3.83Å; V226-L231 HydrophobicContact CG1-CD1 4.29Å; P227-L231 WeakPolarHBondContact O-CB 3.44Å; P227-L231 PolarHBondContact O-N 2.94Å; P227-L231 VanDerWaalsContact O-N 3.1Å; V229-L231 VanDerWaalsContact C-N 3.26Å; V229-L231 PolarHBondContact O-N 3.47Å; L231-K233 VanDerWaalsContact C-N 3.26Å; L231-K233 PolarHBondContact O-N 3.09Å; L231-I234 PolarHBondContact O-N 3.03Å; L231-L235 HydrophobicContact CD1-CD1 4.02Å; L231-L235 HydrophobicContact CD1-CG 4.05Å; L231-L235 HydrophobicContact CG-CD1 4.1Å; L231-L235 HydrophobicContact CG-CG 4.48Å; L231-L235 WeakPolarHBondContact O-CG 3.36Å; L231-L235 PolarHBondContact O-N 3.27Å
232Q89.8Confident86.9Confident52 Ų5246.2 Ų46.224%0.24323%0.228CC..Hα-helixtrans-58.6-38.2174.6-178.9174.9-9.400112.2Y207 P228 V229 P230 Q236Y207-Q232 HydrophobicContact CD2-CB 3.89Å; Y207-Q232 HydrophobicContact CE2-CB 3.85Å; Y207-Q232 HydrophobicContact CE2-CG 4.05Å; P228-Q232 WeakPolarHBondContact O-CB 3.32Å; P228-Q232 PolarHBondContact O-N 3.07Å; V229-Q232 PolarHBondContact O-N 3.22Å; P230-Q232 PolarHBondContact O-N 3.28Å; Q232-Q236 PolarHBondContact O-N 2.68Å; Q232-Q236 VanDerWaalsContact O-N 3.08Å
233K88.4Confident85.8Confident121 Ų12149.1 Ų49.153%0.52624%0.242SC..Hα-helixtrans-66.2-43.4175.9-67.5-179.3176.3179.30111.9V229 P230 L231 Q236 D308V229-K233 PolarHBondContact O-N 2.84Å; P230-K233 WeakPolarHBondContact O-CB 3.42Å; P230-K233 PolarHBondContact O-N 2.94Å; P230-K233 VanDerWaalsContact O-N 3.13Å; L231-K233 VanDerWaalsContact C-N 3.26Å; L231-K233 PolarHBondContact O-N 3.09Å; K233-Q236 VanDerWaalsContact O-CG 3.24Å; K233-Q236 WeakPolarHBondContact O-CG 3.3Å; K233-Q236 PolarHBondContact O-N 2.89Å; K233-D308 IonicContact NZ-OD1 3.76Å; K233-D308 PolarHBondContact NZ-OD1 3.31Å
234I88.3Confident84.2Confident18 Ų1853.4 Ų53.49%0.09225%0.248CC..Hα-helixtrans-61.8-47.5179.2-67.8165.2000110.5V226 P230 L231 Q236 K271 L275 L306 L309V226-I234 HydrophobicContact CG1-CD1 4.2Å; P230-I234 WeakPolarHBondContact O-CG1 3.38Å; P230-I234 PolarHBondContact O-N 3.19Å; L231-I234 PolarHBondContact O-N 3.03Å; I234-Q236 VanDerWaalsContact C-N 3.27Å; I234-Q236 PolarHBondContact O-N 3.23Å; I234-K271 WeakPolarHBondContact O-CB 3.23Å; I234-L275 HydrophobicContact CG2-CD2 4.12Å; I234-L306 HydrophobicContact CD1-CD2 3.79Å; I234-L309 HydrophobicContact CD1-CB 4.41Å; I234-L309 HydrophobicContact CD1-CD1 4Å; I234-L309 HydrophobicContact CG1-CB 4.35Å; I234-L309 HydrophobicContact CG1-CD1 4.37Å
235L88.2Confident81.8Confident0 Ų056.7 Ų56.70%027%0.271CS..Hα-helixtrans-74.6-17.3-177.7-61.7-179.4000113.2F140 L167 Y207 L231 A237 A268 L272F140-L235 HydrophobicContact CZ-CD1 4.5Å; L167-L235 HydrophobicContact CD2-CD1 4.39Å; L167-L235 HydrophobicContact CD2-CD2 4.43Å; Y207-L235 HydrophobicContact CD1-CD1 3.89Å; Y207-L235 HydrophobicContact CE1-CD1 3.47Å; Y207-L235 VanDerWaalsContact CE1-CD1 3.47Å; Y207-L235 HydrophobicContact CE2-CD1 4.25Å; Y207-L235 HydrophobicContact CG-CD1 4.4Å; L231-L235 HydrophobicContact CD1-CD1 4.02Å; L231-L235 HydrophobicContact CD1-CG 4.05Å; L231-L235 HydrophobicContact CG-CD1 4.1Å; L231-L235 HydrophobicContact CG-CG 4.48Å; L231-L235 WeakPolarHBondContact O-CG 3.36Å; L231-L235 PolarHBondContact O-N 3.27Å; L235-A237 PolarHBondContact O-N 2.95Å; L235-A268 HydrophobicContact CB-CB 4.18Å; L235-A268 HydrophobicContact CD2-CB 4.33Å; L235-L272 HydrophobicContact CD2-CD1 3.72Å; L235-L272 HydrophobicContact CD2-CD2 3.89Å; L235-L272 HydrophobicContact CD2-CG 3.48Å; L235-L272 VanDerWaalsContact CD2-CG 3.48Å
236Q87.2Confident79.3Confident122 Ų12255.7 Ų55.757%0.5729%0.289SS*.THydrogen-bonded Turntrans5028.1-175.9-60-171.1-600113.5Q232 K233 I234 K271Q232-Q236 PolarHBondContact O-N 2.68Å; Q232-Q236 VanDerWaalsContact O-N 3.08Å; K233-Q236 VanDerWaalsContact O-CG 3.24Å; K233-Q236 WeakPolarHBondContact O-CG 3.3Å; K233-Q236 PolarHBondContact O-N 2.89Å; I234-Q236 VanDerWaalsContact C-N 3.27Å; I234-Q236 PolarHBondContact O-N 3.23Å; Q236-K271 HydrophobicContact CB-CG 4.48Å; Q236-K271 HydrophobicContact CG-CD 4.37Å; Q236-K271 HydrophobicContact CG-CG 4.46Å
237A86.4Confident76.8Confident2 Ų259.3 Ų59.32%0.01733%0.326CS..SBendtrans-131.8133.3-179.800000108.5Y207 L235 L242 A268Y207-A237 WeakPolarHBondContact CE2-O 3.43Å; Y207-A237 PolarHBondContact OH-O 2.76Å; L235-A237 PolarHBondContact O-N 2.95Å; A237-L242 HydrophobicContact CB-CD1 4.25Å; A237-L242 HydrophobicContact CB-CD2 4.2Å; A237-L242 HydrophobicContact CB-CG 4.27Å; A237-A268 HydrophobicContact CB-CB 4.25Å
238P85.3Confident74.3Confident45 Ų4560.5 Ų60.529%0.29234%0.336SS..  trans-69.9140.4171.628.8-33.8000110.3D240 R241P238-D240 PolarHBondContact O-N 3.45Å; P238-D240 VanDerWaalsContact O-N 3.16Å; P238-R241 HydrophobicContact CB-CG 4.45Å; P238-R241 HydrophobicContact CG-CB 3.94Å; P238-R241 HydrophobicContact CG-CG 3.44Å; P238-R241 VanDerWaalsContact CG-CG 3.44Å; P238-R241 PolarHBondContact O-N 3.07Å
239P85.4Confident72.1Confident2 Ų266.2 Ų66.21%0.01337%0.365CS..G310 helixtrans-61.5-27.9-175.825.1-34000112.6T172 R205 Y207 R241T172-P239 HydrophobicContact CG2-CB 3.76Å; R205-P239 HydrophobicContact CB-CG 4.31Å; R205-P239 HydrophobicContact CG-CB 4.14Å; R205-P239 HydrophobicContact CG-CG 4.46Å; R205-P239 VanDerWaalsContact O-CG 3.23Å; R205-P239 WeakPolarHBondContact O-CG 3.36Å; Y207-P239 HydrophobicContact CD2-CB 4.01Å; Y207-P239 HydrophobicContact CD2-CG 4.42Å; Y207-P239 HydrophobicContact CE1-CB 4.39Å; Y207-P239 HydrophobicContact CE2-CB 3.84Å; Y207-P239 HydrophobicContact CE2-CG 4.27Å; Y207-P239 HydrophobicContact CG-CB 4.33Å; P239-R241 PolarHBondContact O-N 3.45Å
240D81.7Confident70Confident87 Ų8768.5 Ų68.547%0.46538%0.382SS..G310 helixtrans-64.3-21.4176.6-56.1-54.2000114.2R205 P238R205-D240 WeakPolarHBondContact CB-OD1 3.44Å; R205-D240 WeakPolarHBondContact CD-OD1 3.28Å; R205-D240 IonicContact NE-OD1 2.92Å; P238-D240 PolarHBondContact O-N 3.45Å; P238-D240 VanDerWaalsContact O-N 3.16Å
241R76.8Confident68.1Low142 Ų14272.1 Ų72.154%0.53641%0.412SS..G310 helixtrans-99.3-5.4-173.2-60.4-66.5-177.5-177.7-1.1114.1P238 P239 H264P238-R241 HydrophobicContact CB-CG 4.45Å; P238-R241 HydrophobicContact CG-CB 3.94Å; P238-R241 HydrophobicContact CG-CG 3.44Å; P238-R241 VanDerWaalsContact CG-CG 3.44Å; P238-R241 PolarHBondContact O-N 3.07Å; P239-R241 PolarHBondContact O-N 3.45Å; R241-H264 HydrophobicContact CB-CB 4.17Å
242L72.1Confident65.8Low8 Ų879.6 Ų79.64%0.04245%0.452CS..THydrogen-bonded Turntrans-97.6-16.9-179.6-67.5-179.5000114.1I171 Y207 A237 H264 V265 A268I171-L242 HydrophobicContact CD1-CD1 4.19Å; Y207-L242 HydrophobicContact CE1-CD1 3.4Å; Y207-L242 VanDerWaalsContact CE1-CD1 3.4Å; Y207-L242 WeakPolarHBondContact OH-CD1 3.09Å; A237-L242 HydrophobicContact CB-CD1 4.25Å; A237-L242 HydrophobicContact CB-CD2 4.2Å; A237-L242 HydrophobicContact CB-CG 4.27Å; L242-H264 VanDerWaalsContact CD2-C 3.41Å; L242-H264 HydrophobicContact CD2-CB 3.89Å; L242-V265 HydrophobicContact CB-CG2 4.49Å; L242-V265 VanDerWaalsContact CD2-CA 3.41Å; L242-V265 HydrophobicContact CD2-CB 4.03Å; L242-V265 HydrophobicContact CD2-CG2 3.53Å; L242-V265 VanDerWaalsContact CD2-N 3.32Å; L242-A268 HydrophobicContact CD1-CB 4.43Å; L242-A268 HydrophobicContact CD2-CB 4.29Å
243Q65.3Low63.5Low71 Ų7180.8 Ų80.833%0.33247%0.466SS..  trans-73.8133.6-178.6-156-172.41000111.2
244R56.3Low61.4Low178 Ų17880.7 Ų80.767%0.67248%0.478SS*.  trans-79.3117158.4-139.2-177.4-65.1-1530.6106.6A246R244-A246 PolarHBondContact O-N 2.86Å
245S43.1Very low59.3Low70 Ų7085.5 Ų85.549%0.4951%0.51SS..  trans-5798.1178.3-47.90000110G247S245-G247 PolarHBondContact O-N 2.86Å
246A39Very low57.5Low103 Ų10389.1 Ų89.185%0.85153%0.533SS*.SBendtrans-87.618.5179.200000112.8R244R244-A246 PolarHBondContact O-N 2.86Å
247G41.4Very low55.6Low76 Ų7686.6 Ų86.678%0.78453%0.534SS*.  trans-167.531-173.100000116.8S245S245-G247 PolarHBondContact O-N 2.86Å
248S35.8Very low53.8Low66 Ų6692.3 Ų92.346%0.46257%0.571SS.*  trans-94.7113.5166.258.60000109.4
249D40Very low52.2Low136 Ų13692.2 Ų92.273%0.72758%0.578SS**  trans-45.1127.7159.5-109.8-37.8000108.9A251D249-A251 PolarHBondContact O-N 3.1Å
250P43.2Very low50.9Low129 Ų12994.6 Ų94.684%0.83860%0.595SS**THydrogen-bonded Turntrans-65.7-0-172.323.1-31.5000114.5
251A46.3Very low49.8Very low86 Ų8693.3 Ų93.371%0.71159%0.586SS**THydrogen-bonded Turntrans-98.5-15.2-173.600000115.5D249D249-A251 PolarHBondContact O-N 3.1Å
252L41.6Very low49.1Very low157 Ų15790.2 Ų90.282%0.82258%0.582SS**SBendtrans-129.313.4-168.8-108.296000117
253S41.5Very low49.4Very low78 Ų7898.2 Ų98.255%0.54561%0.612SS.*SBendtrans-138135.3174.3-66.60000112.1
254P44.5Very low50.3Low119 Ų11997.2 Ų97.277%0.77361%0.607SS**PPolyproline II helixtrans-61.613517424.4-30.4000109.4
255P43.7Very low51.6Low119 Ų11989.6 Ų89.677%0.77358%0.58SS**PPolyproline II helixtrans-61128.6-177.222.4-31.5000110.1A257P255-A257 PolarHBondContact O-N 3.46Å
256P50.6Low53.6Low75 Ų7589.9 Ų89.949%0.48757%0.574SS.*PPolyproline II helixtrans-63.3136.9173.125.2-31.1000109.1P258P256-P258 WeakPolarHBondContact O-CD 3.28Å; P256-P258 VanDerWaalsContact O-N 3.07Å
257A47.4Very low55.9Low70 Ų7087.5 Ų87.558%0.57955%0.549SS*.PPolyproline II helixtrans-54.8117.3178.500000109.9P255 G259 S260P255-A257 PolarHBondContact O-N 3.46Å; A257-G259 PolarHBondContact O-N 2.67Å; A257-S260 PolarHBondContact O-N 3.36Å; A257-S260 VanDerWaalsContact O-N 3.15Å
258P48.7Very low58.2Low122 Ų12283.9 Ų83.979%0.79251%0.512SS*.THydrogen-bonded Turntrans-63.4-10.5-166.718.9-30.2000114.7P256P256-P258 WeakPolarHBondContact O-CD 3.28Å; P256-P258 VanDerWaalsContact O-N 3.07Å
259G51.9Low60.7Low43 Ų4380.8 Ų80.844%0.44349%0.49SS..THydrogen-bonded Turntrans-89.8-13178.200000116.3A257 R263A257-G259 PolarHBondContact O-N 2.67Å; G259-R263 WeakPolarHBondContact O-CD 3.35Å; G259-R263 VanDerWaalsContact O-CG 3.32Å; G259-R263 WeakPolarHBondContact O-CG 3.48Å; G259-R263 PolarHBondContact O-NE 2.91Å
260S57.8Low63.1Low52 Ų5278.6 Ų78.636%0.36448%0.475SS..Hα-helixtrans-89.9-40.3-171.1-173.50000113.8A257 R263 H264A257-S260 PolarHBondContact O-N 3.36Å; A257-S260 VanDerWaalsContact O-N 3.15Å; S260-R263 PolarHBondContact O-N 3.45Å; S260-H264 PolarHBondContact O-N 3.23Å; S260-H264 PolarHBondContact O-ND1 2.9Å
261Q58.2Low65.3Low59 Ų5976.1 Ų76.128%0.27645%0.451SS..Hα-helixtrans-67.5-40.8-179.9-70.1-178.9-10.500112.2R263 H264 V265Q261-R263 PolarHBondContact O-N 2.88Å; Q261-H264 PolarHBondContact O-N 2.81Å; Q261-H264 VanDerWaalsContact O-N 3.15Å; Q261-V265 PolarHBondContact O-N 3.2Å
262V63.8Low67.3Low77 Ų7772.1 Ų72.147%0.46742%0.418SS..Hα-helixtrans-57.5-36.8176.9179.50000111.4Q266V262-Q266 HydrophobicContact CG1-CG 4.45Å; V262-Q266 WeakPolarHBondContact O-CB 3.43Å; V262-Q266 WeakPolarHBondContact O-CG 3.4Å; V262-Q266 PolarHBondContact O-N 2.83Å; V262-Q266 VanDerWaalsContact O-N 3.09Å
263R78Confident69.6Low177 Ų17768.3 Ų68.367%0.66840%0.396SS*.Hα-helixtrans-67-40.6178.2-70.1175-177.1-166.60.1112.7G259 S260 Q261 Q266 V267G259-R263 WeakPolarHBondContact O-CD 3.35Å; G259-R263 VanDerWaalsContact O-CG 3.32Å; G259-R263 WeakPolarHBondContact O-CG 3.48Å; G259-R263 PolarHBondContact O-NE 2.91Å; S260-R263 PolarHBondContact O-N 3.45Å; Q261-R263 PolarHBondContact O-N 2.88Å; R263-Q266 PolarHBondContact O-N 3.18Å; R263-V267 VanDerWaalsContact O-CG2 3.23Å; R263-V267 WeakPolarHBondContact O-CG2 3.02Å; R263-V267 PolarHBondContact O-N 3.32Å
264H82.6Confident71.8Confident50 Ų5067.6 Ų67.623%0.23139%0.394CS..Hα-helixtrans-70.5-41.7-178.1-67.484.4000112R241 L242 S260 Q261 Q266 V267 A268R241-H264 HydrophobicContact CB-CB 4.17Å; L242-H264 VanDerWaalsContact CD2-C 3.41Å; L242-H264 HydrophobicContact CD2-CB 3.89Å; S260-H264 PolarHBondContact O-N 3.23Å; S260-H264 PolarHBondContact O-ND1 2.9Å; Q261-H264 PolarHBondContact O-N 2.81Å; Q261-H264 VanDerWaalsContact O-N 3.15Å; H264-Q266 VanDerWaalsContact C-N 3.3Å; H264-Q266 PolarHBondContact O-N 2.73Å; H264-V267 PolarHBondContact O-N 3.49Å; H264-A268 WeakPolarHBondContact O-CB 3.41Å; H264-A268 PolarHBondContact O-N 3.4Å
265V84.5Confident73.9Confident17 Ų1762.7 Ų62.710%0.10336%0.362CS..Hα-helixtrans-64.1-39.3175.8-177.70000110.4L164 L167 L242 Q261 A269L164-V265 HydrophobicContact CD2-CG1 3.78Å; L167-V265 HydrophobicContact CB-CG1 4.08Å; L242-V265 HydrophobicContact CB-CG2 4.49Å; L242-V265 VanDerWaalsContact CD2-CA 3.41Å; L242-V265 HydrophobicContact CD2-CB 4.03Å; L242-V265 HydrophobicContact CD2-CG2 3.53Å; L242-V265 VanDerWaalsContact CD2-N 3.32Å; Q261-V265 PolarHBondContact O-N 3.2Å; V265-A269 WeakPolarHBondContact O-CB 3.17Å; V265-A269 PolarHBondContact O-N 2.78Å
266Q85.3Confident76Confident76 Ų7657.1 Ų57.136%0.35533%0.325SS..Hα-helixtrans-64.2-45174.4-76171.3-8.600112.6L164 V262 R263 H264 A269 E270L164-Q266 HydrophobicContact CD2-CG 4.43Å; V262-Q266 HydrophobicContact CG1-CG 4.45Å; V262-Q266 WeakPolarHBondContact O-CB 3.43Å; V262-Q266 WeakPolarHBondContact O-CG 3.4Å; V262-Q266 PolarHBondContact O-N 2.83Å; V262-Q266 VanDerWaalsContact O-N 3.09Å; R263-Q266 PolarHBondContact O-N 3.18Å; H264-Q266 VanDerWaalsContact C-N 3.3Å; H264-Q266 PolarHBondContact O-N 2.73Å; Q266-A269 PolarHBondContact O-N 3.19Å; Q266-E270 WeakPolarHBondContact O-CB 3.47Å; Q266-E270 VanDerWaalsContact O-CG 3.32Å; Q266-E270 WeakPolarHBondContact O-CG 3.4Å; Q266-E270 PolarHBondContact O-N 2.98Å
267V87.9Confident77.6Confident54 Ų5455.4 Ų55.433%0.32732%0.318SS..Hα-helixtrans-61.1-46.7176.6169.60000110.7R263 H264 A269 E270 K271R263-V267 VanDerWaalsContact O-CG2 3.23Å; R263-V267 WeakPolarHBondContact O-CG2 3.02Å; R263-V267 PolarHBondContact O-N 3.32Å; H264-V267 PolarHBondContact O-N 3.49Å; V267-A269 VanDerWaalsContact C-N 3.32Å; V267-A269 PolarHBondContact O-N 3Å; V267-E270 PolarHBondContact O-N 3.16Å; V267-K271 VanDerWaalsContact O-CG 3.31Å; V267-K271 WeakPolarHBondContact O-CG 3.4Å; V267-K271 PolarHBondContact O-N 3.42Å
268A88.6Confident78.8Confident0 Ų058 Ų580%032%0.321CS..Hα-helixtrans-60.8-41.3177.200000112L167 L235 A237 L242 H264 K271 L272L167-A268 HydrophobicContact CD1-CB 3.86Å; L167-A268 HydrophobicContact CD2-CB 4.23Å; L235-A268 HydrophobicContact CB-CB 4.18Å; L235-A268 HydrophobicContact CD2-CB 4.33Å; A237-A268 HydrophobicContact CB-CB 4.25Å; L242-A268 HydrophobicContact CD1-CB 4.43Å; L242-A268 HydrophobicContact CD2-CB 4.29Å; H264-A268 WeakPolarHBondContact O-CB 3.41Å; H264-A268 PolarHBondContact O-N 3.4Å; A268-K271 PolarHBondContact O-N 2.99Å; A268-L272 PolarHBondContact O-N 3.01Å
269A89.4Confident79.9Confident0 Ų057.7 Ų57.70%032%0.319CS..Hα-helixtrans-64.6-42176.300000111.9L163 L164 L167 V265 Q266 V267 K271 L272 Q273L163-A269 HydrophobicContact CB-CB 4.27Å; L164-A269 HydrophobicContact CD2-CB 3.68Å; L164-A269 HydrophobicContact CG-CB 4.19Å; L167-A269 VanDerWaalsContact CD1-CA 3.45Å; L167-A269 HydrophobicContact CD1-CB 3.68Å; L167-A269 VanDerWaalsContact CD1-N 3.27Å; V265-A269 WeakPolarHBondContact O-CB 3.17Å; V265-A269 PolarHBondContact O-N 2.78Å; Q266-A269 PolarHBondContact O-N 3.19Å; V267-A269 VanDerWaalsContact C-N 3.32Å; V267-A269 PolarHBondContact O-N 3Å; A269-K271 VanDerWaalsContact C-N 3.33Å; A269-K271 PolarHBondContact O-N 3.24Å; A269-L272 PolarHBondContact O-N 3.47Å; A269-Q273 WeakPolarHBondContact O-CB 3.29Å; A269-Q273 PolarHBondContact O-N 3.3Å
270E89.6Confident81.1Confident90 Ų9060 Ų6042%0.42131%0.314SS..Hα-helixtrans-63.3-38.6176.3-75.5171.1-173.600111.9R160 Q266 V267 Q273 A274R160-E270 IonicContact CZ-OE1 3.74Å; R160-E270 IonicContact NH1-OE1 3.71Å; R160-E270 IonicContact NH2-OE1 3.18Å; R160-E270 PolarHBondContact NH2-OE1 3.02Å; Q266-E270 WeakPolarHBondContact O-CB 3.47Å; Q266-E270 VanDerWaalsContact O-CG 3.32Å; Q266-E270 WeakPolarHBondContact O-CG 3.4Å; Q266-E270 PolarHBondContact O-N 2.98Å; V267-E270 PolarHBondContact O-N 3.16Å; E270-Q273 PolarHBondContact O-N 3Å; E270-A274 VanDerWaalsContact O-CB 3.3Å; E270-A274 WeakPolarHBondContact O-CB 3.33Å; E270-A274 PolarHBondContact O-N 3.47Å
271K89.8Confident82.2Confident78 Ų7862.5 Ų62.534%0.33932%0.318SS..Hα-helixtrans-68.6-44.3177-64.9-68.8165.7171.60112.4I234 Q236 V267 A268 A269 Q273 A274 L275I234-K271 WeakPolarHBondContact O-CB 3.23Å; Q236-K271 HydrophobicContact CB-CG 4.48Å; Q236-K271 HydrophobicContact CG-CD 4.37Å; Q236-K271 HydrophobicContact CG-CG 4.46Å; V267-K271 VanDerWaalsContact O-CG 3.31Å; V267-K271 WeakPolarHBondContact O-CG 3.4Å; V267-K271 PolarHBondContact O-N 3.42Å; A268-K271 PolarHBondContact O-N 2.99Å; A269-K271 VanDerWaalsContact C-N 3.33Å; A269-K271 PolarHBondContact O-N 3.24Å; K271-Q273 VanDerWaalsContact C-N 3.32Å; K271-A274 PolarHBondContact O-N 3.18Å; K271-L275 WeakPolarHBondContact O-CB 3.39Å; K271-L275 PolarHBondContact O-N 2.92Å
272L88.7Confident83.5Confident1 Ų164.4 Ų64.41%0.00532%0.323CS..Hα-helixtrans-62.2-42.3172.7-79.1175.4000111.5F138 L154 L163 L167 L235 A268 A269 A274 L275 L276F138-L272 HydrophobicContact CD1-CD2 3.96Å; F138-L272 HydrophobicContact CE1-CD2 4.35Å; F138-L272 HydrophobicContact CG-CD2 4.22Å; L154-L272 HydrophobicContact CD1-CD1 4.19Å; L163-L272 HydrophobicContact CD2-CB 4.46Å; L167-L272 HydrophobicContact CD1-CD1 4.19Å; L167-L272 HydrophobicContact CD2-CD1 3.92Å; L167-L272 HydrophobicContact CG-CD1 4.19Å; L235-L272 HydrophobicContact CD2-CD1 3.72Å; L235-L272 HydrophobicContact CD2-CD2 3.89Å; L235-L272 HydrophobicContact CD2-CG 3.48Å; L235-L272 VanDerWaalsContact CD2-CG 3.48Å; A268-L272 PolarHBondContact O-N 3.01Å; A269-L272 PolarHBondContact O-N 3.47Å; L272-A274 PolarHBondContact O-N 3.24Å; L272-L275 PolarHBondContact O-N 3.35Å; L272-L276 WeakPolarHBondContact O-CB 3.28Å; L272-L276 VanDerWaalsContact O-CG 3.31Å; L272-L276 WeakPolarHBondContact O-CG 3.24Å; L272-L276 PolarHBondContact O-N 2.92Å
273Q89.3Confident84.7Confident78 Ų7861.1 Ų61.136%0.36430%0.303SS..Hα-helixtrans-61.7-45.6176.8-16917410.400111.1L163 A269 E270 K271 L275 L276 A277L163-Q273 HydrophobicContact CD1-CB 3.62Å; L163-Q273 HydrophobicContact CD1-CG 4.1Å; A269-Q273 WeakPolarHBondContact O-CB 3.29Å; A269-Q273 PolarHBondContact O-N 3.3Å; E270-Q273 PolarHBondContact O-N 3Å; K271-Q273 VanDerWaalsContact C-N 3.32Å; Q273-L275 VanDerWaalsContact C-N 3.27Å; Q273-L275 PolarHBondContact O-N 3.17Å; Q273-L276 CarbonylContact O-C 3.5Å; Q273-L276 PolarHBondContact O-N 2.84Å; Q273-A277 WeakPolarHBondContact O-CA 3.44Å; Q273-A277 WeakPolarHBondContact O-CB 3.27Å; Q273-A277 PolarHBondContact O-N 3.13Å
274A88.1Confident85.2Confident62 Ų6254.2 Ų54.251%0.51228%0.281SS..Hα-helixtrans-63-34.317800000112.6E270 K271 L272E270-A274 VanDerWaalsContact O-CB 3.3Å; E270-A274 WeakPolarHBondContact O-CB 3.33Å; E270-A274 PolarHBondContact O-N 3.47Å; K271-A274 PolarHBondContact O-N 3.18Å; L272-A274 PolarHBondContact O-N 3.24Å
275L88.1Confident85.6Confident17 Ų1751.8 Ų51.89%0.08927%0.27CS..Hα-helixtrans-69.5-37.4175.9-173.166000112.3V135 L212 I234 K271 L272 Q273 V283 L309V135-L275 HydrophobicContact CB-CD1 4.48Å; V135-L275 HydrophobicContact CB-CG 4.28Å; V135-L275 HydrophobicContact CG1-CD2 4.41Å; V135-L275 HydrophobicContact CG1-CG 4.22Å; V135-L275 HydrophobicContact CG2-CD1 3.86Å; V135-L275 HydrophobicContact CG2-CG 4.12Å; L212-L275 HydrophobicContact CD2-CD2 4.22Å; I234-L275 HydrophobicContact CG2-CD2 4.12Å; K271-L275 WeakPolarHBondContact O-CB 3.39Å; K271-L275 PolarHBondContact O-N 2.92Å; L272-L275 PolarHBondContact O-N 3.35Å; Q273-L275 VanDerWaalsContact C-N 3.27Å; Q273-L275 PolarHBondContact O-N 3.17Å; L275-V283 HydrophobicContact CD1-CG1 4.41Å; L275-L309 HydrophobicContact CD1-CD1 4.21Å; L275-L309 HydrophobicContact CD1-CD2 4.2Å
276L88.6Confident85.8Confident2 Ų252 Ų521%0.0127%0.271CS..Hα-helixtrans-95-9.3-175.4-63172.4000113.9V135 L154 G156 L272 Q273V135-L276 HydrophobicContact CG1-CD2 3.8Å; L154-L276 HydrophobicContact CB-CD1 3.88Å; G156-L276 WeakPolarHBondContact CA-O 3.16Å; L272-L276 WeakPolarHBondContact O-CB 3.28Å; L272-L276 VanDerWaalsContact O-CG 3.31Å; L272-L276 WeakPolarHBondContact O-CG 3.24Å; L272-L276 PolarHBondContact O-N 2.92Å; Q273-L276 CarbonylContact O-C 3.5Å; Q273-L276 PolarHBondContact O-N 2.84Å
277A82.8Confident86Confident39 Ų3948.4 Ų48.432%0.32225%0.254SS..PPolyproline II helixtrans-59.4151.6-171.500000114.3Q273 P279 R280Q273-A277 WeakPolarHBondContact O-CA 3.44Å; Q273-A277 WeakPolarHBondContact O-CB 3.27Å; Q273-A277 PolarHBondContact O-N 3.13Å; A277-P279 CarbonylContact O-C 3.59Å; A277-R280 WeakPolarHBondContact O-CA 3.27Å; A277-R280 PolarHBondContact O-N 2.88Å
278L73.3Confident86Confident123 Ų12350.3 Ų50.364%0.64426%0.256SS*.SBendtrans-95.4141.3172-66.6173.7000111.3R280L278-R280 HydrophobicContact CD2-CG 3.99Å
279P71.6Confident85.8Confident116 Ų11650.3 Ų50.375%0.75326%0.256SS*.SBendcis-68.4143.2-7.830-34.6000111.5A277 K281A277-P279 CarbonylContact O-C 3.59Å; P279-K281 PolarHBondContact O-N 2.81Å; P279-K281 VanDerWaalsContact O-N 3.14Å
280R76.6Confident85.4Confident91 Ų9154.1 Ų54.134%0.34327%0.273SS..PPolyproline II helixtrans-60.3117.7-176.8-69.3-178.5172.2145.2-6110.3Q134 V135 L136 A277 L278Q134-R280 HydrophobicContact CB-CB 4.24Å; Q134-R280 HydrophobicContact CG-CB 4.3Å; Q134-R280 PolarHBondContact NE2-O 2.92Å; V135-R280 WeakPolarHBondContact O-CD 3.33Å; V135-R280 PolarHBondContact O-NE 2.98Å; L136-R280 PolarHBondContact O-NH2 2.81Å; A277-R280 WeakPolarHBondContact O-CA 3.27Å; A277-R280 PolarHBondContact O-N 2.88Å; L278-R280 HydrophobicContact CD2-CG 3.99Å
281K80.8Confident84.9Confident105 Ų10552.4 Ų52.446%0.45726%0.264SS..PPolyproline II helixtrans-77.3143.8174.8-64.4-177.1179.8176.50109.6P279P279-K281 PolarHBondContact O-N 2.81Å; P279-K281 VanDerWaalsContact O-N 3.14Å
282W86.1Confident84.2Confident99 Ų9953.2 Ų53.238%0.37527%0.272SS..EExtended strand (participates in β ladder)trans-72.4130.3167.2-70.289.4000108.9R132 V133 Q134 R217R132-W282 HydrophobicContact CB-CE3 4.3Å; R132-W282 WeakPolarHBondContact O-CZ3 3.42Å; V133-W282 WeakPolarHBondContact O-CA 3.38Å; Q134-W282 HydrophobicContact CG-CD2 3.82Å; Q134-W282 HydrophobicContact CG-CE3 4.09Å; Q134-W282 HydrophobicContact CG-CG 4.26Å; Q134-W282 HydrophobicContact CG-CH2 4.3Å; Q134-W282 HydrophobicContact CG-CZ2 4.07Å; Q134-W282 HydrophobicContact CG-CZ3 4.32Å; R217-W282 HydrophobicContact CB-CH2 4.31Å; R217-W282 HydrophobicContact CG-CH2 3.47Å; R217-W282 VanDerWaalsContact CG-CH2 3.47Å; R217-W282 HydrophobicContact CG-CZ2 4.02Å; R217-W282 HydrophobicContact CG-CZ3 4.18Å
283V88.3Confident83.5Confident8 Ų855.2 Ų55.25%0.04829%0.285CS..EExtended strand (participates in β ladder)trans-119.9151.1175.7-62.10000109.5R132 V133 V135 L275 I285R132-V283 WeakPolarHBondContact CA-O 3.3Å; V133-V283 HydrophobicContact CG2-CG2 4.02Å; V133-V283 PolarHBondContact N-O 3.45Å; V133-V283 WeakPolarHBondContact O-CG2 3.35Å; V133-V283 PolarHBondContact O-N 2.91Å; V135-V283 HydrophobicContact CG2-CG2 3.73Å; L275-V283 HydrophobicContact CD1-CG1 4.41Å; V283-I285 HydrophobicContact CG2-CG2 4.18Å
284V89.4Confident82.8Confident32 Ų3253.9 Ų53.919%0.19428%0.281CS..EExtended strand (participates in β ladder)trans-95.7123.1171.6-173.40000107.7E130 L131 R132 Q310E130-V284 HydrophobicContact CB-CG1 4.27Å; E130-V284 HydrophobicContact CG-CG1 4.4Å; L131-V284 WeakPolarHBondContact O-CA 3.47Å; R132-V284 HydrophobicContact CG-CG2 4.19Å; V284-Q310 HydrophobicContact CB-CB 4.3Å; V284-Q310 PolarHBondContact O-N 3.46Å
285I90.4Very high81.7Confident0 Ų058.5 Ų58.50%029%0.292CS..EExtended strand (participates in β ladder)trans-115.8137.7173.160.9172.5000109.9E130 L131 V133 V214 V224 V283 V287 L306 L309E130-I285 CarbonylContact C-O 3.46Å; E130-I285 WeakPolarHBondContact CA-O 3.43Å; L131-I285 HydrophobicContact CB-CG1 4Å; L131-I285 PolarHBondContact N-O 3.33Å; L131-I285 PolarHBondContact O-N 3.49Å; V133-I285 HydrophobicContact CG1-CD1 4.37Å; V133-I285 HydrophobicContact CG2-CD1 3.68Å; V133-I285 HydrophobicContact CG2-CG1 3.84Å; V133-I285 HydrophobicContact CG2-CG2 4.29Å; V214-I285 HydrophobicContact CG2-CD1 4.37Å; V224-I285 HydrophobicContact CG2-CD1 4.33Å; V283-I285 HydrophobicContact CG2-CG2 4.18Å; I285-V287 HydrophobicContact CB-CG1 4.38Å; I285-V287 HydrophobicContact CD1-CG1 3.58Å; I285-V287 HydrophobicContact CG1-CG1 3.93Å; I285-L306 HydrophobicContact CB-CD1 3.75Å; I285-L306 HydrophobicContact CG2-CD1 3.97Å; I285-L309 HydrophobicContact CG2-CB 4.32Å; I285-L309 HydrophobicContact CG2-CD1 3.87Å; I285-L309 HydrophobicContact CG2-CG 3.86Å
286T90Very high80.7Confident21 Ų2163.2 Ų63.213%0.12932%0.317CS..EExtended strand (participates in β ladder)trans-95.4116.6167.4-47.30000107.4V129 E130 L307 D308V129-T286 WeakPolarHBondContact O-CA 3.34Å; E130-T286 HydrophobicContact CG-CG2 4.34Å; T286-L307 HydrophobicContact CG2-CB 4.33Å; T286-L307 HydrophobicContact CG2-CD1 4.37Å; T286-L307 PolarHBondContact O-N 3.24Å; T286-D308 PolarHBondContact N-O 3.47Å; T286-D308 PolarHBondContact O-N 3.23Å
287V89.7Confident79.6Confident0 Ų064 Ų640%032%0.323CS..EExtended strand (participates in β ladder)trans-117.4151.1178.6-59.20000110.6E128 V129 L131 V224 I285 F304 T305 L306E128-V287 WeakPolarHBondContact CA-O 3.41Å; V129-V287 HydrophobicContact CG1-CG2 3.51Å; V129-V287 PolarHBondContact N-O 2.88Å; V129-V287 PolarHBondContact O-N 3.32Å; L131-V287 HydrophobicContact CD1-CG2 3.54Å; L131-V287 HydrophobicContact CG-CG2 4.06Å; V224-V287 HydrophobicContact CG1-CG1 3.88Å; V224-V287 HydrophobicContact CG2-CG1 4.42Å; I285-V287 HydrophobicContact CB-CG1 4.38Å; I285-V287 HydrophobicContact CD1-CG1 3.58Å; I285-V287 HydrophobicContact CG1-CG1 3.93Å; V287-F304 HydrophobicContact CG2-CD1 4.3Å; V287-T305 CarbonylContact C-O 3.6Å; V287-T305 WeakPolarHBondContact CA-O 3.44Å; V287-L306 HydrophobicContact CG1-CD1 4.26Å
288R86.3Confident79Confident95 Ų9565.4 Ų65.436%0.35833%0.327SS..EExtended strand (participates in β ladder)trans-106.6118167.6-167.5175.958.5-176.5-0.8108.8G127 E128 H290 T305 L307G127-R288 CarbonylContact O-C 3.6Å; G127-R288 WeakPolarHBondContact O-CA 3.47Å; E128-R288 HydrophobicContact CG-CB 4.38Å; E128-R288 HydrophobicContact CG-CG 4.11Å; R288-H290 WeakPolarHBondContact CD-NE2 2.98Å; R288-H290 VanDerWaalsContact CG-NE2 3.29Å; R288-H290 WeakPolarHBondContact CG-NE2 3.28Å; R288-H290 PolarHBondContact NE-NE2 2.9Å; R288-T305 PolarHBondContact N-O 3.09Å; R288-T305 PolarHBondContact O-N 3.05Å; R288-L307 HydrophobicContact CB-CD1 3.96Å; R288-L307 HydrophobicContact CB-CD2 4.2Å; R288-L307 HydrophobicContact CB-CG 4.06Å
289S84.8Confident78.9Confident0 Ų061.9 Ų61.90%031%0.311CS..EExtended strand (participates in β ladder)trans-95.2135.9176.5-169.80000110.9Y125 S126 G127 Q302 D303 F304Y125-S289 WeakPolarHBondContact O-CB 3.44Å; Y125-S289 PolarHBondContact O-OG 3.5Å; S126-S289 PolarHBondContact OG-O 3.35Å; G127-S289 PolarHBondContact N-O 3.08Å; G127-S289 PolarHBondContact O-N 2.97Å; S289-Q302 WeakPolarHBondContact OG-CG 3.27Å; S289-Q302 PolarHBondContact OG-NE2 3.28Å; S289-D303 WeakPolarHBondContact CA-O 3.31Å; S289-F304 VanDerWaalsContact OG-CE1 3.29Å; S289-F304 WeakPolarHBondContact OG-CE1 3.46Å
290H80.9Confident79.3Confident79 Ų7961.7 Ų61.737%0.36630%0.304SS..EExtended strand (participates in β ladder)trans-135.8141.9174.6-70.1-73.9000110.5R288 Q302 D303R288-H290 WeakPolarHBondContact CD-NE2 2.98Å; R288-H290 VanDerWaalsContact CG-NE2 3.29Å; R288-H290 WeakPolarHBondContact CG-NE2 3.28Å; R288-H290 PolarHBondContact NE-NE2 2.9Å; H290-Q302 CarbonylContact O-C 3.56Å; H290-Q302 WeakPolarHBondContact O-CA 3.16Å; H290-D303 PolarHBondContact N-O 2.88Å; H290-D303 PolarHBondContact O-N 2.94Å
291F79.5Confident79.5Confident55 Ų5559.8 Ų59.824%0.24130%0.304CS..EExtended strand (participates in β ladder)trans-89.5130.1170.2-69.1-81.5000110.9K124 P299 S301 Q302K124-F291 VanDerWaalsContact C-CZ 3.41Å; K124-F291 HydrophobicContact CB-CE1 4.17Å; K124-F291 HydrophobicContact CB-CE2 4.35Å; K124-F291 HydrophobicContact CB-CZ 3.58Å; K124-F291 HydrophobicContact CG-CZ 4.39Å; K124-F291 WeakPolarHBondContact O-CE2 3.31Å; K124-F291 WeakPolarHBondContact O-CZ 3.44Å; F291-P299 HydrophobicContact CB-CB 4.27Å; F291-P299 HydrophobicContact CD1-CB 3.58Å; F291-P299 HydrophobicContact CE1-CB 4.32Å; F291-P299 HydrophobicContact CG-CB 4.15Å; F291-S301 WeakPolarHBondContact CA-O 3.31Å; F291-Q302 HydrophobicContact CD1-CB 3.97Å; F291-Q302 HydrophobicContact CD1-CG 4.05Å; F291-Q302 HydrophobicContact CE1-CB 3.69Å; F291-Q302 HydrophobicContact CE1-CG 3.6Å; F291-Q302 HydrophobicContact CE2-CG 4.35Å; F291-Q302 HydrophobicContact CZ-CB 4.34Å; F291-Q302 HydrophobicContact CZ-CG 3.74Å
292L74Confident79.6Confident95 Ų9556.5 Ų56.550%0.49729%0.291SS..EExtended strand (participates in β ladder)trans-79.2113.9158.6-16988.2000106.8L300 S301L292-L300 HydrophobicContact CD2-CB 4.29Å; L292-L300 HydrophobicContact CD2-CD1 4.19Å; L292-L300 WeakPolarHBondContact O-CB 3.45Å; L292-L300 PolarHBondContact O-N 3.28Å; L292-S301 WeakPolarHBondContact CB-OG 3.27Å; L292-S301 PolarHBondContact N-O 2.81Å; L292-S301 PolarHBondContact O-N 2.72Å
293C74.4Confident79.6Confident42 Ų4254.5 Ų54.528%0.28429%0.287SS..EExtended strand (participates in β ladder)trans-105.2153.2176.7-63.80000111.5V298C293-V298 CarbonylContact C-O 3.4Å; C293-V298 WeakPolarHBondContact CA-O 3.18Å
294D75.4Confident79.7Confident51 Ų5154.5 Ų54.527%0.27329%0.286SS..  trans-74-174.5165.277.1-2000112N296 S297 V298 L300D294-N296 PolarHBondContact O-N 3.39Å; D294-N296 WeakPolarHBondContact OD1-CA 3.45Å; D294-N296 WeakPolarHBondContact OD1-CB 3.48Å; D294-N296 PolarHBondContact OD1-N 3.15Å; D294-S297 PolarHBondContact O-N 2.86Å; D294-S297 VanDerWaalsContact O-N 3.14Å; D294-S297 PolarHBondContact OD1-N 2.9Å; D294-S297 VanDerWaalsContact OD1-N 3.17Å; D294-V298 PolarHBondContact N-O 2.96Å; D294-V298 WeakPolarHBondContact OD1-CB 3.21Å; D294-V298 PolarHBondContact OD1-N 2.92Å; D294-L300 HydrophobicContact CB-CD1 4.02Å; D294-L300 HydrophobicContact CB-CD2 4.19Å; D294-L300 HydrophobicContact CB-CG 4.14Å
295Q64.1Low79.7Confident159 Ų15954.1 Ų54.174%0.74328%0.284SS*.THydrogen-bonded Turntrans-63.1-20.7179.3-64.5179900113.4
296N67.7Low79.8Confident115 Ų11554.1 Ų54.162%0.61528%0.284SS*.THydrogen-bonded Turntrans-98.512.6-179.8-59-46.1000112.3D294 V298D294-N296 PolarHBondContact O-N 3.39Å; D294-N296 WeakPolarHBondContact OD1-CA 3.45Å; D294-N296 WeakPolarHBondContact OD1-CB 3.48Å; D294-N296 PolarHBondContact OD1-N 3.15Å; N296-V298 HydrophobicContact CB-CG2 4.2Å; N296-V298 PolarHBondContact O-N 3.18Å
297S65.7Low79.7Confident20 Ų2055.5 Ų55.514%0.1429%0.291CS..SBendtrans63.221.5-175.1-61.10000114.1K24 D294K24-S297 PolarHBondContact NZ-OG 2.84Å; D294-S297 PolarHBondContact O-N 2.86Å; D294-S297 VanDerWaalsContact O-N 3.14Å; D294-S297 PolarHBondContact OD1-N 2.9Å; D294-S297 VanDerWaalsContact OD1-N 3.17Å
298V71.1Confident79.6Confident68 Ų6858 Ų5841%0.41230%0.304SS..  trans-81.4124.5172.9-178.50000108.7C293 D294 N296 L300C293-V298 CarbonylContact C-O 3.4Å; C293-V298 WeakPolarHBondContact CA-O 3.18Å; D294-V298 PolarHBondContact N-O 2.96Å; D294-V298 WeakPolarHBondContact OD1-CB 3.21Å; D294-V298 PolarHBondContact OD1-N 2.92Å; N296-V298 HydrophobicContact CB-CG2 4.2Å; N296-V298 PolarHBondContact O-N 3.18Å; V298-L300 PolarHBondContact O-N 2.84Å
299P71.2Confident79.6Confident48 Ų4854.7 Ų54.731%0.31229%0.293SS..EExtended strand (participates in β ladder)trans-67.3120.2178.826.8-32.8000110.9F291F291-P299 HydrophobicContact CB-CB 4.27Å; F291-P299 HydrophobicContact CD1-CB 3.58Å; F291-P299 HydrophobicContact CE1-CB 4.32Å; F291-P299 HydrophobicContact CG-CB 4.15Å
300L77.9Confident79.5Confident113 Ų11359.2 Ų59.259%0.59231%0.314SS*.EExtended strand (participates in β ladder)trans-88.6-44.4175.8-62.7175.1000111.3L292 D294 V298L292-L300 HydrophobicContact CD2-CB 4.29Å; L292-L300 HydrophobicContact CD2-CD1 4.19Å; L292-L300 WeakPolarHBondContact O-CB 3.45Å; L292-L300 PolarHBondContact O-N 3.28Å; D294-L300 HydrophobicContact CB-CD1 4.02Å; D294-L300 HydrophobicContact CB-CD2 4.19Å; D294-L300 HydrophobicContact CB-CG 4.14Å; V298-L300 PolarHBondContact O-N 2.84Å
301S80.8Confident78.7Confident50 Ų5059.2 Ų59.235%0.3532%0.32SS..EExtended strand (participates in β ladder)trans-150162.2177.967.10000110.9F291 L292F291-S301 WeakPolarHBondContact CA-O 3.31Å; L292-S301 WeakPolarHBondContact CB-OG 3.27Å; L292-S301 PolarHBondContact N-O 2.81Å; L292-S301 PolarHBondContact O-N 2.72Å
302Q83.6Confident77.5Confident37 Ų3759.9 Ų59.917%0.17333%0.329CS..EExtended strand (participates in β ladder)trans-117.9117.2174.8-167177.36.600108.1Y125 S289 H290 F291 F304Y125-Q302 PolarHBondContact O-NE2 3.01Å; S289-Q302 WeakPolarHBondContact OG-CG 3.27Å; S289-Q302 PolarHBondContact OG-NE2 3.28Å; H290-Q302 CarbonylContact O-C 3.56Å; H290-Q302 WeakPolarHBondContact O-CA 3.16Å; F291-Q302 HydrophobicContact CD1-CB 3.97Å; F291-Q302 HydrophobicContact CD1-CG 4.05Å; F291-Q302 HydrophobicContact CE1-CB 3.69Å; F291-Q302 HydrophobicContact CE1-CG 3.6Å; F291-Q302 HydrophobicContact CE2-CG 4.35Å; F291-Q302 HydrophobicContact CZ-CB 4.34Å; F291-Q302 HydrophobicContact CZ-CG 3.74Å; Q302-F304 HydrophobicContact CB-CE2 4.04Å; Q302-F304 HydrophobicContact CB-CZ 4.17Å; Q302-F304 HydrophobicContact CG-CE1 4.18Å; Q302-F304 HydrophobicContact CG-CE2 3.82Å; Q302-F304 HydrophobicContact CG-CZ 3.53Å; Q302-F304 WeakPolarHBondContact O-CE2 3.4Å
303D86.3Confident76.2Confident56 Ų5662.1 Ų62.130%0.29935%0.347SS..EExtended strand (participates in β ladder)trans-97.4139.3178.8-84.4-13.9000109.9R225 S289 H290R225-D303 IonicContact CZ-OD2 2.9Å; R225-D303 IonicContact NH2-OD1 3.57Å; R225-D303 IonicContact NH2-OD2 3.88Å; R225-D303 PolarHBondContact NH2-OD2 2.76Å; S289-D303 WeakPolarHBondContact CA-O 3.31Å; H290-D303 PolarHBondContact N-O 2.88Å; H290-D303 PolarHBondContact O-N 2.94Å
304F89.8Confident74.5Confident8 Ų871.2 Ų71.24%0.03539%0.386CS..EExtended strand (participates in β ladder)trans-117.6126178.6-58.8-90.5000109.7L120 L121 L222 V224 R225 V287 S289 Q302L120-F304 HydrophobicContact CD2-CD1 4.23Å; L120-F304 HydrophobicContact CD2-CE1 3.51Å; L120-F304 HydrophobicContact CD2-CZ 4.33Å; L120-F304 HydrophobicContact CG-CE1 4.34Å; L121-F304 HydrophobicContact CD2-CE2 4.46Å; L121-F304 HydrophobicContact CD2-CZ 3.95Å; L222-F304 HydrophobicContact CD1-CD1 4.43Å; L222-F304 HydrophobicContact CD1-CD2 3.29Å; L222-F304 HydrophobicContact CD1-CE1 4.35Å; L222-F304 HydrophobicContact CD1-CE2 3.19Å; L222-F304 HydrophobicContact CD1-CG 3.94Å; L222-F304 HydrophobicContact CD1-CZ 3.74Å; L222-F304 HydrophobicContact CD2-CB 4.46Å; L222-F304 HydrophobicContact CD2-CD1 4.09Å; L222-F304 HydrophobicContact CD2-CD2 4.22Å; L222-F304 HydrophobicContact CD2-CE1 4.41Å; L222-F304 HydrophobicContact CD2-CG 3.98Å; L222-F304 HydrophobicContact CG-CD2 4.07Å; L222-F304 HydrophobicContact CG-CE2 4.35Å; L222-F304 HydrophobicContact CG-CG 4.3Å; V224-F304 HydrophobicContact CB-CB 4.48Å; V224-F304 HydrophobicContact CG1-CB 4.34Å; V224-F304 HydrophobicContact CG2-CB 4.15Å; R225-F304 PolarHBondContact N-O 2.79Å; V287-F304 HydrophobicContact CG2-CD1 4.3Å; S289-F304 VanDerWaalsContact OG-CE1 3.29Å; S289-F304 WeakPolarHBondContact OG-CE1 3.46Å; Q302-F304 HydrophobicContact CB-CE2 4.04Å; Q302-F304 HydrophobicContact CB-CZ 4.17Å; Q302-F304 HydrophobicContact CG-CE1 4.18Å; Q302-F304 HydrophobicContact CG-CE2 3.82Å; Q302-F304 HydrophobicContact CG-CZ 3.53Å; Q302-F304 WeakPolarHBondContact O-CE2 3.4Å
305T89.9Confident74.4Confident25 Ų2572.2 Ų72.215%0.15339%0.391CS..EExtended strand (participates in β ladder)trans-115.7125.9176.6-55.60000109.8R225 P227 V287 R288 L307R225-T305 WeakPolarHBondContact O-CA 3.34Å; P227-T305 HydrophobicContact CG-CG2 3.42Å; P227-T305 VanDerWaalsContact CG-CG2 3.42Å; V287-T305 CarbonylContact C-O 3.6Å; V287-T305 WeakPolarHBondContact CA-O 3.44Å; R288-T305 PolarHBondContact N-O 3.09Å; R288-T305 PolarHBondContact O-N 3.05Å; T305-L307 PolarHBondContact O-N 3.3Å
306L92.6Very high75Confident0 Ų067.6 Ų67.60%037%0.373CS..EExtended strand (participates in β ladder)trans-67.5130.8174.9-168.871.7000110.3L212 V224 R225 V226 P227 P230 I234 I285 V287 D308 L309L212-L306 HydrophobicContact CD1-CD2 4.13Å; V224-L306 HydrophobicContact CG1-CB 3.9Å; V224-L306 HydrophobicContact CG1-CD1 4.47Å; R225-L306 PolarHBondContact O-N 3.4Å; V226-L306 HydrophobicContact CG1-CD2 3.93Å; V226-L306 HydrophobicContact CG2-CB 4.44Å; V226-L306 HydrophobicContact CG2-CD2 4.18Å; P227-L306 WeakPolarHBondContact CD-O 3.47Å; P230-L306 HydrophobicContact CB-CD2 3.99Å; P230-L306 HydrophobicContact CB-CG 4.36Å; P230-L306 WeakPolarHBondContact CG-O 3.34Å; I234-L306 HydrophobicContact CD1-CD2 3.79Å; I285-L306 HydrophobicContact CB-CD1 3.75Å; I285-L306 HydrophobicContact CG2-CD1 3.97Å; V287-L306 HydrophobicContact CG1-CD1 4.26Å; L306-D308 WeakPolarHBondContact CD1-O 3.39Å; L306-L309 HydrophobicContact CD2-CB 4.25Å; L306-L309 HydrophobicContact CD2-CD1 4.44Å
307L87.8Confident75.4Confident50 Ų5065 Ų6526%0.26236%0.359SS..EExtended strand (participates in β ladder)trans-104-43.5171.7-60.8-176000111.3E128 T286 R288 T305E128-L307 HydrophobicContact CB-CD1 4.4Å; E128-L307 VanDerWaalsContact CD-CD1 3.5Å; E128-L307 HydrophobicContact CG-CD1 3.69Å; E128-L307 WeakPolarHBondContact OE1-CD1 3.49Å; T286-L307 HydrophobicContact CG2-CB 4.33Å; T286-L307 HydrophobicContact CG2-CD1 4.37Å; T286-L307 PolarHBondContact O-N 3.24Å; R288-L307 HydrophobicContact CB-CD1 3.96Å; R288-L307 HydrophobicContact CB-CD2 4.2Å; R288-L307 HydrophobicContact CB-CG 4.06Å; T305-L307 PolarHBondContact O-N 3.3Å
308D87.6Confident75.9Confident53 Ų5367.6 Ų67.628%0.28337%0.372SS..EExtended strand (participates in β ladder)trans-151.6155.3179.3-153.246.1000111.3K233 T286 L306K233-D308 IonicContact NZ-OD1 3.76Å; K233-D308 PolarHBondContact NZ-OD1 3.31Å; T286-D308 PolarHBondContact N-O 3.47Å; T286-D308 PolarHBondContact O-N 3.23Å; L306-D308 WeakPolarHBondContact CD1-O 3.39Å
309L87.3Confident76.3Confident24 Ų2467.6 Ų67.613%0.12637%0.37CS..EExtended strand (participates in β ladder)trans-137.1117.9178.6-174.5152.7000108.8L212 I234 L275 I285 L306 V311L212-L309 HydrophobicContact CD1-CD1 4.27Å; I234-L309 HydrophobicContact CD1-CB 4.41Å; I234-L309 HydrophobicContact CD1-CD1 4Å; I234-L309 HydrophobicContact CG1-CB 4.35Å; I234-L309 HydrophobicContact CG1-CD1 4.37Å; L275-L309 HydrophobicContact CD1-CD1 4.21Å; L275-L309 HydrophobicContact CD1-CD2 4.2Å; I285-L309 HydrophobicContact CG2-CB 4.32Å; I285-L309 HydrophobicContact CG2-CD1 3.87Å; I285-L309 HydrophobicContact CG2-CG 3.86Å; L306-L309 HydrophobicContact CD2-CB 4.25Å; L306-L309 HydrophobicContact CD2-CD1 4.44Å; L309-V311 HydrophobicContact CD2-CB 4.32Å; L309-V311 HydrophobicContact CD2-CG2 3.21Å
310Q81.4Confident76.6Confident95 Ų9568.9 Ų68.944%0.44437%0.374SS..EExtended strand (participates in β ladder)trans-94.8102.4175.3-59.3178.319.200108.2V284V284-Q310 HydrophobicContact CB-CB 4.3Å; V284-Q310 PolarHBondContact O-N 3.46Å
311V65.3Low76.5Confident80 Ų8065.8 Ų65.849%0.48536%0.358SS..  trans-78.1127.3168.3-170.20000106.8L309 T313L309-V311 HydrophobicContact CD2-CB 4.32Å; L309-V311 HydrophobicContact CD2-CG2 3.21Å; V311-T313 PolarHBondContact O-N 3.44Å
312P54Low76.2Confident68 Ų6867 Ų6744%0.44236%0.359SS..  trans-58.8111.4170.8-4.210.2000108.5Q314P312-Q314 PolarHBondContact O-N 3.1Å
313T45.9Very low75.6Confident142 Ų14269.5 Ų69.587%0.87137%0.374SS*.  trans-59.5120.7168.410000107.5V311V311-T313 PolarHBondContact O-N 3.44Å
314Q39Very low74.6Confident233 Ų23370.7 Ų70.7100%1.08938%0.381SS*.  trans-680163.9-89.7-175-29.300110.1P312P312-Q314 PolarHBondContact O-N 3.1Å

Retrieved 314 of 314 residues in 543.7 ms (Link to these results)