A0A087X6S8_POEFO Loading...

Sushi domain containing 1

AlphaFold DB , UniProt , Accession A0A087X6S8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 463 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.2Very low50.5Low235 Ų235140.7 Ų140.7100%1.15879%0.793SS**  0119.90-73.574.8176.800108.1
2A44.2Very low52.3Low97 Ų97139.7 Ų139.780%0.80280%0.799SS**  trans-74.9119.8174.800000108.8F4A2-F4 PolarHBondContact O-N 2.93Å
3V43Very low54.4Low131 Ų131146.9 Ų146.979%0.79481%0.805SS**  trans-83.4100.4167178.20000106.4I5V3-I5 PolarHBondContact O-N 3.38Å
4F44.3Very low56.5Low190 Ų190140.5 Ų140.583%0.83377%0.769SS**PPolyproline II helixtrans-64.1118.7161.1-111.6-100.5000107.5A2 P6A2-F4 PolarHBondContact O-N 2.93Å; F4-P6 WeakPolarHBondContact O-CD 3.08Å
5I50.5Low58.5Low144 Ų144138.7 Ų138.774%0.73876%0.757SS**PPolyproline II helixtrans-84.9116.2166.9-58.6173.8000106.2V3 N7V3-I5 PolarHBondContact O-N 3.38Å; I5-N7 PolarHBondContact O-N 2.95Å
6P46.8Very low60.3Low99 Ų99133.1 Ų133.164%0.64373%0.726SS**PPolyproline II helixtrans-63.4123.5168.6-9.925.2000107.7F4 D8F4-P6 WeakPolarHBondContact O-CD 3.08Å; P6-D8 PolarHBondContact O-N 2.68Å
7N52.4Low62Low156 Ų156127.4 Ų127.483%0.83469%0.693SS**  trans-75.477.6172.3-168.814000108.8I5 G9I5-N7 PolarHBondContact O-N 2.95Å; N7-G9 PolarHBondContact O-N 3.48Å
8D54.9Low63.5Low134 Ų134122.6 Ų122.672%0.71767%0.67SS**  trans-83.612.9179.6-118.512.7000112.8P6 T10P6-D8 PolarHBondContact O-N 2.68Å; D8-T10 WeakPolarHBondContact O-CB 3.46Å; D8-T10 WeakPolarHBondContact O-CG2 3.28Å; D8-T10 PolarHBondContact O-N 3.4Å; D8-T10 PolarHBondContact O-OG1 2.68Å
9G56.3Low64.8Low62 Ų62124.8 Ų124.864%0.63967%0.673SS**SBendtrans58.5-1.716500000117.9N7N7-G9 PolarHBondContact O-N 3.48Å
10T62.7Low65.8Low115 Ų115123.3 Ų123.371%0.70666%0.663SS**SBendtrans-113.4-12.8-165.346.50000113.6D8D8-T10 WeakPolarHBondContact O-CB 3.46Å; D8-T10 WeakPolarHBondContact O-CG2 3.28Å; D8-T10 PolarHBondContact O-N 3.4Å; D8-T10 PolarHBondContact O-OG1 2.68Å
11H64Low66.6Low185 Ų185124.2 Ų124.286%0.85667%0.673SS**  trans-135.298.8175.1-88-77.5000111.7
12C72.8Confident68.7Low128 Ų128115.9 Ų115.987%0.86565%0.648SS**  trans-98.5125.8170.1-64.30000109.2
13R79.2Confident70.7Confident234 Ų234113.3 Ų113.388%0.88362%0.619SS**  trans-106.5125.6170.9-178.5178.7179174.81.6108.8
14D83.9Confident72.8Confident57 Ų57107.5 Ų107.531%0.30558%0.584SS.*  trans-59.1135.5175.7-173.855.1000111.9N32 G35D14-N32 PolarHBondContact OD2-ND2 3.46Å; D14-G35 WeakPolarHBondContact OD1-CA 3.47Å; D14-G35 PolarHBondContact OD1-N 3.5Å
15I86.4Confident74.8Confident114 Ų114100.7 Ų100.759%0.58557%0.567SS**  trans-100.1116.9174.2-62.9176.2000106.4E17I15-E17 HydrophobicContact CG2-CG 4.39Å; I15-E17 PolarHBondContact O-N 3.37Å
16D87.3Confident76.6Confident48 Ų48101.6 Ų101.626%0.25757%0.568SS.*  trans-74.490176.2-178-5000110.3C18 K19 N32D16-C18 PolarHBondContact O-N 2.92Å; D16-C18 WeakPolarHBondContact OD1-CB 3.17Å; D16-C18 PolarHBondContact OD1-N 2.87Å; D16-K19 HydrophobicContact CB-CD 4.11Å; D16-K19 HydrophobicContact CB-CG 4.39Å; D16-K19 PolarHBondContact O-N 2.88Å; D16-K19 WeakPolarHBondContact OD2-CD 3.39Å; D16-K19 WeakPolarHBondContact OD2-CE 3.45Å; D16-K19 IonicContact OD2-NZ 2.77Å; D16-K19 PolarHBondContact OD2-NZ 2.78Å; D16-N32 WeakPolarHBondContact CA-OD1 3.47Å
17E89Confident78.5Confident37 Ų3797.4 Ų97.417%0.17354%0.543CS..G310 helixtrans-67.8-17-176.9-58.195.116600112.4I15 K19 I20 Q23 N32 F37I15-E17 HydrophobicContact CG2-CG 4.39Å; I15-E17 PolarHBondContact O-N 3.37Å; E17-K19 PolarHBondContact O-N 2.95Å; E17-I20 WeakPolarHBondContact O-CB 3.49Å; E17-I20 PolarHBondContact O-N 3.49Å; E17-I20 VanDerWaalsContact O-N 3.08Å; E17-Q23 HydrophobicContact CB-CG 4.42Å; E17-N32 PolarHBondContact OE2-OD1 2.87Å; E17-F37 HydrophobicContact CB-CB 4.28Å; E17-F37 HydrophobicContact CB-CD1 3.61Å; E17-F37 HydrophobicContact CB-CE1 4.17Å; E17-F37 HydrophobicContact CB-CG 3.97Å; E17-F37 HydrophobicContact CG-CD1 3.74Å; E17-F37 HydrophobicContact CG-CE1 4.22Å; E17-F37 WeakPolarHBondContact OE2-CB 3.34Å; E17-F37 WeakPolarHBondContact OE2-CD1 3.39Å
18C88.8Confident80.3Confident41 Ų4190.7 Ų90.728%0.27751%0.511SS..G310 helixtrans-72.4-13.1176.1-60.20000113.6D16 C30 R31 N32D16-C18 PolarHBondContact O-N 2.92Å; D16-C18 WeakPolarHBondContact OD1-CB 3.17Å; D16-C18 PolarHBondContact OD1-N 2.87Å; C18-C30 WeakPolarHBondContact CA-SG 3.33Å; C18-C30 HydrophobicContact CB-CB 3.65Å; C18-C30 WeakPolarHBondContact CB-SG 3.46Å; C18-C30 WeakPolarHBondContact SG-CB 3.29Å; C18-C30 CovalentContact SG-SG 2.04Å; C18-C30 PolarHBondContact SG-SG 3.25Å; C18-R31 PolarHBondContact SG-N 3.42Å; C18-R31 VanDerWaalsContact SG-N 3.44Å; C18-N32 PolarHBondContact SG-N 3.5Å
19K88.9Confident82.1Confident165 Ų16589.7 Ų89.772%0.71750%0.502SS*.G310 helixtrans-76.3-11.5169.1-72175.1178.7140.90113D16 E17D16-K19 HydrophobicContact CB-CD 4.11Å; D16-K19 HydrophobicContact CB-CG 4.39Å; D16-K19 PolarHBondContact O-N 2.88Å; D16-K19 WeakPolarHBondContact OD2-CD 3.39Å; D16-K19 WeakPolarHBondContact OD2-CE 3.45Å; D16-K19 IonicContact OD2-NZ 2.77Å; D16-K19 PolarHBondContact OD2-NZ 2.78Å; E17-K19 PolarHBondContact O-N 2.95Å
20I85Confident83.8Confident93 Ų9388.6 Ų88.648%0.47748%0.484SS..SBendtrans-88.6125.3176.5-53.8173.8000108.8E17E17-I20 WeakPolarHBondContact O-CB 3.49Å; E17-I20 PolarHBondContact O-N 3.49Å; E17-I20 VanDerWaalsContact O-N 3.08Å
21T82Confident85.2Confident143 Ų14389.9 Ų89.988%0.87748%0.476SS*.THydrogen-bonded Turntrans-69.9135.6-177.4-31.20000111.1
22G80.9Confident86.5Confident61 Ų6183.6 Ų83.663%0.62945%0.449SS*.THydrogen-bonded Turntrans82.56174.600000115.7C24 G25G22-C24 PolarHBondContact O-N 3.49Å; G22-G25 PolarHBondContact O-N 2.99Å; G22-G25 VanDerWaalsContact O-N 3.16Å
23Q85.9Confident87.2Confident43 Ų4380.1 Ų80.120%0.20142%0.421CS..THydrogen-bonded Turntrans-59.1-30.6-176.8-167.766.67.400114E17 F37 P56E17-Q23 HydrophobicContact CB-CG 4.42Å; Q23-F37 HydrophobicContact CG-CD2 4.1Å; Q23-F37 HydrophobicContact CG-CE1 4.27Å; Q23-F37 HydrophobicContact CG-CE2 3.53Å; Q23-F37 HydrophobicContact CG-CZ 3.64Å; Q23-P56 WeakPolarHBondContact O-CG 2.76Å
24C86.6Confident87.6Confident9 Ų978 Ų786%0.06142%0.421CS..THydrogen-bonded Turntrans-1044.4179.1-65.70000114.9G22 C30 C39G22-C24 PolarHBondContact O-N 3.49Å; C24-C30 VanDerWaalsContact SG-CA 3.58Å; C24-C30 VanDerWaalsContact SG-CB 3.51Å; C24-C39 WeakPolarHBondContact CA-SG 3.46Å; C24-C39 HydrophobicContact CB-CB 3.68Å; C24-C39 WeakPolarHBondContact CB-SG 3.42Å; C24-C39 WeakPolarHBondContact SG-CB 3.48Å; C24-C39 CovalentContact SG-SG 2.03Å; C24-C39 PolarHBondContact SG-SG 2.94Å
25G86.6Confident87.6Confident46 Ų4678.4 Ų78.447%0.47444%0.439SS..  trans71.1-176.3-175.100000114.6G22 G28G22-G25 PolarHBondContact O-N 2.99Å; G22-G25 VanDerWaalsContact O-N 3.16Å; G25-G28 PolarHBondContact O-N 3.43Å
26E88.4Confident87.6Confident163 Ų16374.2 Ų74.276%0.76242%0.42SS*.THydrogen-bonded Turntrans-68.2131.9-178.6-144.2180-165.600111.2G28 C63E26-G28 PolarHBondContact O-N 3.01Å; E26-C63 WeakPolarHBondContact O-CB 3.37Å
27G86.8Confident87.7Confident11 Ų1172.8 Ų72.811%0.11341%0.411CS..THydrogen-bonded Turntrans735.8-176.100000115.3C41 Q42G27-C41 WeakPolarHBondContact O-CA 3.5Å; G27-Q42 WeakPolarHBondContact O-CG 3.32Å; G27-Q42 PolarHBondContact O-N 2.98Å
28G90.6Very high87.9Confident15 Ų1572 Ų7216%0.15541%0.409CS..EExtended strand (participates in β ladder)trans-88.5146.2173.900000113.5G25 E26 S40 Q42G25-G28 PolarHBondContact O-N 3.43Å; E26-G28 PolarHBondContact O-N 3.01Å; G28-S40 CarbonylContact C-O 3.5Å; G28-Q42 PolarHBondContact O-NE2 3.22Å
29Q92.1Very high88Confident113 Ų11370.1 Ų70.153%0.52840%0.396SS..EExtended strand (participates in β ladder)trans-117.6125.1172.9-175.8172.521.900109C39 S40 Q42Q29-C39 WeakPolarHBondContact O-CA 3.29Å; Q29-S40 PolarHBondContact N-O 3.48Å; Q29-S40 PolarHBondContact O-N 3.31Å; Q29-Q42 HydrophobicContact CB-CG 4.23Å
30C91.6Very high88.1Confident40 Ų4064.1 Ų64.127%0.2738%0.375SS..EExtended strand (participates in β ladder)trans-92.3136.3-176.7-170.30000111.3C18 C24C18-C30 WeakPolarHBondContact CA-SG 3.33Å; C18-C30 HydrophobicContact CB-CB 3.65Å; C18-C30 WeakPolarHBondContact CB-SG 3.46Å; C18-C30 WeakPolarHBondContact SG-CB 3.29Å; C18-C30 CovalentContact SG-SG 2.04Å; C18-C30 PolarHBondContact SG-SG 3.25Å; C24-C30 VanDerWaalsContact SG-CA 3.58Å; C24-C30 VanDerWaalsContact SG-CB 3.51Å
31R92.1Very high88.5Confident142 Ų14260.5 Ų60.554%0.53636%0.357SS..EExtended strand (participates in β ladder)trans-123.2116.5170.3-175.4177.168.9175.71.6109.8C18 F37 D38C18-R31 PolarHBondContact SG-N 3.42Å; C18-R31 VanDerWaalsContact SG-N 3.44Å; R31-F37 WeakPolarHBondContact O-CA 3.26Å; R31-D38 PolarHBondContact N-O 3.27Å; R31-D38 IonicContact NH2-OD2 2.89Å; R31-D38 PolarHBondContact O-N 3.41Å
32N91.5Very high89Confident53 Ų5358.3 Ų58.328%0.28334%0.337SS..EExtended strand (participates in β ladder)trans-74.2138.2176.6-16654.7000110.4D14 D16 E17 C18D14-N32 PolarHBondContact OD2-ND2 3.46Å; D16-N32 WeakPolarHBondContact CA-OD1 3.47Å; E17-N32 PolarHBondContact OE2-OD1 2.87Å; C18-N32 PolarHBondContact SG-N 3.5Å
33L88.6Confident89.4Confident54 Ų5461.7 Ų61.728%0.28334%0.339SS..EExtended strand (participates in β ladder)trans-128.5160.3175.6-56.8172.9000108.2G35 S36 D38L33-G35 PolarHBondContact O-N 2.92Å; L33-S36 CarbonylContact C-O 3.51Å; L33-S36 VanDerWaalsContact C-O 3.24Å; L33-S36 WeakPolarHBondContact CA-O 3.32Å; L33-S36 VanDerWaalsContact CB-O 3.22Å; L33-S36 WeakPolarHBondContact CB-O 3.38Å; L33-S36 PolarHBondContact N-O 2.82Å; L33-S36 PolarHBondContact O-N 3.41Å; L33-D38 HydrophobicContact CD1-CB 4.29Å; L33-D38 WeakPolarHBondContact CD1-OD2 3.41Å
34E87Confident89.6Confident190 Ų19059.8 Ų59.889%0.88833%0.331SS*.THydrogen-bonded Turntrans-66.8114.8176.3-167.6171.1-172.100110.4
35G83.6Confident89.9Confident66 Ų6662.7 Ų62.768%0.6834%0.341SS*.THydrogen-bonded Turntrans80.36-178.400000115.4D14 L33D14-G35 WeakPolarHBondContact OD1-CA 3.47Å; D14-G35 PolarHBondContact OD1-N 3.5Å; L33-G35 PolarHBondContact O-N 2.92Å
36S87.4Confident90Very high25 Ų2565.3 Ų65.318%0.17534%0.34CS..EExtended strand (participates in β ladder)trans-168.2175176.959.70000113.5L33 R55L33-S36 CarbonylContact C-O 3.51Å; L33-S36 VanDerWaalsContact C-O 3.24Å; L33-S36 WeakPolarHBondContact CA-O 3.32Å; L33-S36 VanDerWaalsContact CB-O 3.22Å; L33-S36 WeakPolarHBondContact CB-O 3.38Å; L33-S36 PolarHBondContact N-O 2.82Å; L33-S36 PolarHBondContact O-N 3.41Å; S36-R55 PolarHBondContact OG-NH2 3.45Å
37F89.4Confident90.1Very high18 Ų1859.2 Ų59.28%0.07931%0.313CS..EExtended strand (participates in β ladder)trans-129.4157.5168.669.8-76.3000111E17 Q23 R31 R55E17-F37 HydrophobicContact CB-CB 4.28Å; E17-F37 HydrophobicContact CB-CD1 3.61Å; E17-F37 HydrophobicContact CB-CE1 4.17Å; E17-F37 HydrophobicContact CB-CG 3.97Å; E17-F37 HydrophobicContact CG-CD1 3.74Å; E17-F37 HydrophobicContact CG-CE1 4.22Å; E17-F37 WeakPolarHBondContact OE2-CB 3.34Å; E17-F37 WeakPolarHBondContact OE2-CD1 3.39Å; Q23-F37 HydrophobicContact CG-CD2 4.1Å; Q23-F37 HydrophobicContact CG-CE1 4.27Å; Q23-F37 HydrophobicContact CG-CE2 3.53Å; Q23-F37 HydrophobicContact CG-CZ 3.64Å; R31-F37 WeakPolarHBondContact O-CA 3.26Å; F37-R55 WeakPolarHBondContact O-CG 3.24Å; F37-R55 PolarHBondContact O-NE 3.23Å
38D91.3Very high90.2Very high22 Ų2262.2 Ų62.212%0.11832%0.324CS..EExtended strand (participates in β ladder)trans-126.9145.7173.2-77.6-9.7000110.2R31 L33 P53 R55R31-D38 PolarHBondContact N-O 3.27Å; R31-D38 IonicContact NH2-OD2 2.89Å; R31-D38 PolarHBondContact O-N 3.41Å; L33-D38 HydrophobicContact CD1-CB 4.29Å; L33-D38 WeakPolarHBondContact CD1-OD2 3.41Å; D38-P53 HydrophobicContact CB-CB 3.97Å; D38-R55 IonicContact OD1-CZ 3.69Å; D38-R55 IonicContact OD1-NE 3.53Å; D38-R55 PolarHBondContact OD1-NE 3.12Å; D38-R55 IonicContact OD1-NH2 3.5Å; D38-R55 PolarHBondContact OD1-NH2 3.19Å
39C91.6Very high90Very high1 Ų167 Ų671%0.00735%0.346CS..EExtended strand (participates in β ladder)trans-109.7141.9176.2-59.60000111.1C24 Q29 P53 F54C24-C39 WeakPolarHBondContact CA-SG 3.46Å; C24-C39 HydrophobicContact CB-CB 3.68Å; C24-C39 WeakPolarHBondContact CB-SG 3.42Å; C24-C39 WeakPolarHBondContact SG-CB 3.48Å; C24-C39 CovalentContact SG-SG 2.03Å; C24-C39 PolarHBondContact SG-SG 2.94Å; Q29-C39 WeakPolarHBondContact O-CA 3.29Å; C39-P53 WeakPolarHBondContact O-CA 3.39Å; C39-F54 HydrophobicContact CB-CD1 4.33Å; C39-F54 HydrophobicContact CB-CD2 4.08Å; C39-F54 HydrophobicContact CB-CE1 4Å; C39-F54 HydrophobicContact CB-CE2 3.73Å; C39-F54 HydrophobicContact CB-CG 4.36Å; C39-F54 HydrophobicContact CB-CZ 3.67Å; C39-F54 WeakPolarHBondContact CB-O 3.26Å; C39-F54 PolarHBondContact N-O 3.48Å; C39-F54 VanDerWaalsContact O-CD1 3.3Å; C39-F54 WeakPolarHBondContact O-CD1 3.46Å; C39-F54 PolarHBondContact O-N 2.89Å
40S92.2Very high89.6Confident39 Ų3963.9 Ų63.927%0.27334%0.344SS..EExtended strand (participates in β ladder)trans-128150.5168.456.60000110.2G28 Q29G28-S40 CarbonylContact C-O 3.5Å; Q29-S40 PolarHBondContact N-O 3.48Å; Q29-S40 PolarHBondContact O-N 3.31Å
41C92.6Very high89.3Confident16 Ų1665.5 Ų65.511%0.10836%0.361CS..EExtended strand (participates in β ladder)trans-80143.5176.2-60.30000111.6G27 E52 C63G27-C41 WeakPolarHBondContact O-CA 3.5Å; C41-E52 WeakPolarHBondContact CA-OE1 3.31Å; C41-E52 WeakPolarHBondContact CB-OE1 3.44Å; C41-E52 PolarHBondContact N-OE1 3.47Å; C41-E52 PolarHBondContact SG-OE1 3.04Å; C41-C63 WeakPolarHBondContact CA-SG 3.48Å; C41-C63 HydrophobicContact CB-CB 4Å; C41-C63 WeakPolarHBondContact CB-SG 3.46Å; C41-C63 WeakPolarHBondContact SG-CA 3.33Å; C41-C63 WeakPolarHBondContact SG-CB 3.39Å; C41-C63 CovalentContact SG-SG 2.04Å; C41-C63 PolarHBondContact SG-SG 3.24Å
42Q91.8Very high88.9Confident97 Ų9763.3 Ų63.345%0.45336%0.357SS..PPolyproline II helixtrans-71.2161.7171.7-63.3178.514.800110.3G27 G28 Q29 G44 Y45G27-Q42 WeakPolarHBondContact O-CG 3.32Å; G27-Q42 PolarHBondContact O-N 2.98Å; G28-Q42 PolarHBondContact O-NE2 3.22Å; Q29-Q42 HydrophobicContact CB-CG 4.23Å; Q42-G44 PolarHBondContact O-N 3.46Å; Q42-Y45 WeakPolarHBondContact O-CB 3.23Å; Q42-Y45 PolarHBondContact O-N 3.33Å
43I90.8Very high88.7Confident133 Ų13364.3 Ų64.368%0.68237%0.366SS*.THydrogen-bonded Turntrans-54.8131.4176.4-58.4174.2000109.4Y87 A112I43-Y87 HydrophobicContact CG2-CE2 4.34Å; I43-Y87 WeakPolarHBondContact CG2-OH 3.31Å; I43-A112 HydrophobicContact CG2-CB 3.79Å
44G89.8Confident88.7Confident2 Ų262.2 Ų62.22%0.02136%0.355CS..THydrogen-bonded Turntrans90.61.3-175.300000114.7Q42 V65 V66Q42-G44 PolarHBondContact O-N 3.46Å; G44-V65 WeakPolarHBondContact O-CA 3.32Å; G44-V66 WeakPolarHBondContact O-CB 3.42Å; G44-V66 WeakPolarHBondContact O-CG2 3.41Å; G44-V66 PolarHBondContact O-N 2.7Å
45Y91.6Very high88.7Confident70 Ų7057.2 Ų57.228%0.27533%0.328SS..EExtended strand (participates in β ladder)trans-123.2147.6171.6-68.7-104.4000110.3Q42 C63 K64 V65Q42-Y45 WeakPolarHBondContact O-CB 3.23Å; Q42-Y45 PolarHBondContact O-N 3.33Å; Y45-C63 HydrophobicContact CD1-CB 4.19Å; Y45-K64 CarbonylContact C-O 3.52Å; Y45-K64 VanDerWaalsContact CA-O 3.25Å; Y45-K64 WeakPolarHBondContact CA-O 3.3Å; Y45-V65 HydrophobicContact CD1-CB 4.21Å; Y45-V65 HydrophobicContact CE1-CB 3.94Å
46K90.1Very high88.6Confident102 Ų10255.8 Ų55.844%0.44331%0.306SS..EExtended strand (participates in β ladder)trans-125.7147.6175.2-77.8177.7-175.8-1790110.6H48 K64 V66 A112 D113K46-H48 PolarHBondContact O-N 2.83Å; K46-K64 PolarHBondContact N-O 3.15Å; K46-K64 PolarHBondContact O-N 2.96Å; K46-V66 HydrophobicContact CB-CG2 4.33Å; K46-V66 HydrophobicContact CD-CG2 3.86Å; K46-V66 HydrophobicContact CG-CG2 3.65Å; K46-A112 WeakPolarHBondContact CE-O 3.49Å; K46-D113 PolarHBondContact NZ-O 3.48Å
47V90.4Very high88.1Confident34 Ų3462.2 Ų62.221%0.20633%0.334CS..EExtended strand (participates in β ladder)trans-64.5127.9174.3-1710000109.9E52 F54 A61V47-E52 HydrophobicContact CG2-CB 3.69Å; V47-E52 VanDerWaalsContact CG2-CD 3.46Å; V47-E52 HydrophobicContact CG2-CG 3.39Å; V47-E52 WeakPolarHBondContact CG2-OE1 3.48Å; V47-F54 HydrophobicContact CG1-CD1 3.95Å; V47-F54 HydrophobicContact CG1-CE1 4.39Å; V47-F54 HydrophobicContact CG1-CG 4.34Å; V47-F54 HydrophobicContact CG2-CD1 3.76Å; V47-F54 HydrophobicContact CG2-CE1 3.88Å; V47-A61 HydrophobicContact CG1-CB 4.21Å
48H87.9Confident87.2Confident75 Ų7571.3 Ų71.335%0.34737%0.368SS..EExtended strand (participates in β ladder)trans-109.2138170.4-173.271.3000109.5K46 G50 A61 A62 K64K46-H48 PolarHBondContact O-N 2.83Å; H48-G50 VanDerWaalsContact C-N 3.32Å; H48-G50 PolarHBondContact O-N 3.39Å; H48-A61 VanDerWaalsContact O-CA 3.32Å; H48-A61 WeakPolarHBondContact O-CA 3.35Å; H48-A62 PolarHBondContact N-O 2.89Å; H48-A62 PolarHBondContact O-N 2.85Å; H48-A62 VanDerWaalsContact O-N 3.16Å; H48-K64 HydrophobicContact CB-CB 4.42Å; H48-K64 HydrophobicContact CB-CD 3.78Å; H48-K64 HydrophobicContact CB-CG 3.93Å; H48-K64 WeakPolarHBondContact CD2-CE 3.1Å; H48-K64 PolarHBondContact CD2-NZ 3.19Å; H48-K64 PolarHBondContact NE2-NZ 3.06Å
49N86.1Confident86.1Confident114 Ų11473 Ų7361%0.6139%0.39SS*.SBendtrans58.136.2-178.9-59.7-21.7000114.7
50G84.3Confident85.5Confident48 Ų4875.6 Ų75.650%0.49542%0.417SS..SBendtrans-177.6-169.9176.900000112.6H48H48-G50 VanDerWaalsContact C-N 3.32Å; H48-G50 PolarHBondContact O-N 3.39Å
51A84.8Confident85.3Confident75 Ų7574 Ų7462%0.6241%0.407SS*.  trans-127.2147.5172.500000109.5P53 F54A51-P53 CarbonylContact O-C 3.57Å; A51-P53 VanDerWaalsContact O-C 3.27Å; A51-P53 VanDerWaalsContact O-O 3.13Å; A51-F54 WeakPolarHBondContact O-CB 3.22Å
52E84Confident85.1Confident96 Ų9675.3 Ų75.345%0.44942%0.418SS..SBendtrans-81.7137.2177.7-125.3162.6-130.700110.6C41 V47 F54C41-E52 WeakPolarHBondContact CA-OE1 3.31Å; C41-E52 WeakPolarHBondContact CB-OE1 3.44Å; C41-E52 PolarHBondContact N-OE1 3.47Å; C41-E52 PolarHBondContact SG-OE1 3.04Å; V47-E52 HydrophobicContact CG2-CB 3.69Å; V47-E52 VanDerWaalsContact CG2-CD 3.46Å; V47-E52 HydrophobicContact CG2-CG 3.39Å; V47-E52 WeakPolarHBondContact CG2-OE1 3.48Å; E52-F54 HydrophobicContact CG-CD1 4.22Å; E52-F54 HydrophobicContact CG-CE1 4.48Å
53P88.7Confident85.1Confident74 Ų7471.4 Ų71.448%0.48140%0.401SS..SBendcis-75.4146.5-6.625.7-25.2000113D38 C39 A51D38-P53 HydrophobicContact CB-CB 3.97Å; C39-P53 WeakPolarHBondContact O-CA 3.39Å; A51-P53 CarbonylContact O-C 3.57Å; A51-P53 VanDerWaalsContact O-C 3.27Å; A51-P53 VanDerWaalsContact O-O 3.13Å
54F88.1Confident85.1Confident10 Ų1070.4 Ų70.44%0.04439%0.392CS..BIsolated β-bridgetrans-122.9162.6-174.965.1-84.9000113.6C39 V47 A51 E52 P56 A61 C63C39-F54 HydrophobicContact CB-CD1 4.33Å; C39-F54 HydrophobicContact CB-CD2 4.08Å; C39-F54 HydrophobicContact CB-CE1 4Å; C39-F54 HydrophobicContact CB-CE2 3.73Å; C39-F54 HydrophobicContact CB-CG 4.36Å; C39-F54 HydrophobicContact CB-CZ 3.67Å; C39-F54 WeakPolarHBondContact CB-O 3.26Å; C39-F54 PolarHBondContact N-O 3.48Å; C39-F54 VanDerWaalsContact O-CD1 3.3Å; C39-F54 WeakPolarHBondContact O-CD1 3.46Å; C39-F54 PolarHBondContact O-N 2.89Å; V47-F54 HydrophobicContact CG1-CD1 3.95Å; V47-F54 HydrophobicContact CG1-CE1 4.39Å; V47-F54 HydrophobicContact CG1-CG 4.34Å; V47-F54 HydrophobicContact CG2-CD1 3.76Å; V47-F54 HydrophobicContact CG2-CE1 3.88Å; A51-F54 WeakPolarHBondContact O-CB 3.22Å; E52-F54 HydrophobicContact CG-CD1 4.22Å; E52-F54 HydrophobicContact CG-CE1 4.48Å; F54-P56 HydrophobicContact CD2-CG 4.18Å; F54-P56 HydrophobicContact CE2-CG 3.97Å; F54-A61 HydrophobicContact CB-CB 3.8Å; F54-A61 HydrophobicContact CD2-CB 3.71Å; F54-A61 WeakPolarHBondContact CD2-O 3.16Å; F54-A61 VanDerWaalsContact CE2-O 3.29Å; F54-A61 WeakPolarHBondContact CE2-O 3.47Å; F54-A61 HydrophobicContact CG-CB 3.89Å; F54-C63 VanDerWaalsContact CZ-SG 3.52Å
55R87.1Confident85.3Confident84 Ų8473.1 Ų73.132%0.31741%0.408SS..  trans-121.5110.3174.4-63.6-177.4-176.2-179.9-6.4109.4S36 F37 D38 Q57 R58S36-R55 PolarHBondContact OG-NH2 3.45Å; F37-R55 WeakPolarHBondContact O-CG 3.24Å; F37-R55 PolarHBondContact O-NE 3.23Å; D38-R55 IonicContact OD1-CZ 3.69Å; D38-R55 IonicContact OD1-NE 3.53Å; D38-R55 PolarHBondContact OD1-NE 3.12Å; D38-R55 IonicContact OD1-NH2 3.5Å; D38-R55 PolarHBondContact OD1-NH2 3.19Å; R55-Q57 PolarHBondContact O-N 3.12Å; R55-Q57 VanDerWaalsContact O-N 3.14Å; R55-R58 HydrophobicContact CB-CB 4.21Å; R55-R58 PolarHBondContact O-N 3.21Å
56P81.4Confident85.4Confident36 Ų3670.1 Ų70.123%0.23440%0.397CS..G310 helixtrans-55.2-37.7-174.2-27.334.1000113.3Q23 F54 R58 G60Q23-P56 WeakPolarHBondContact O-CG 2.76Å; F54-P56 HydrophobicContact CD2-CG 4.18Å; F54-P56 HydrophobicContact CE2-CG 3.97Å; P56-R58 PolarHBondContact O-N 3.25Å; P56-G60 PolarHBondContact O-N 3.27Å
57Q75.6Confident85.5Confident161 Ų16169.7 Ų69.775%0.75240%0.4SS*.G310 helixtrans-69.5-14.5-179.9-59.8-1596.300114.3R55R55-Q57 PolarHBondContact O-N 3.12Å; R55-Q57 VanDerWaalsContact O-N 3.14Å
58R70.6Confident85.7Confident209 Ų20969 Ų6979%0.78940%0.396SS*.G310 helixtrans-122.329.9-169.5-149.9-176.2-72.8-126.71.8113.7R55 P56R55-R58 HydrophobicContact CB-CB 4.21Å; R55-R58 PolarHBondContact O-N 3.21Å; P56-R58 PolarHBondContact O-N 3.25Å
59G68.3Low85.8Confident56 Ų5666.4 Ų66.458%0.57739%0.39SS*.THydrogen-bonded Turntrans165.94.3177.400000116.6A61G59-A61 PolarHBondContact O-N 3.21Å; G59-A61 VanDerWaalsContact O-N 3.09Å
60G80.1Confident86.1Confident56 Ų5666.6 Ų66.658%0.57740%0.397SS*.  trans65.312.917900000114.3P56P56-G60 PolarHBondContact O-N 3.27Å
61A88.1Confident86.4Confident7 Ų765.1 Ų65.16%0.05838%0.378CS..  trans-69.4133.9176.400000110.2V47 H48 F54 G59V47-A61 HydrophobicContact CG1-CB 4.21Å; H48-A61 VanDerWaalsContact O-CA 3.32Å; H48-A61 WeakPolarHBondContact O-CA 3.35Å; F54-A61 HydrophobicContact CB-CB 3.8Å; F54-A61 HydrophobicContact CD2-CB 3.71Å; F54-A61 WeakPolarHBondContact CD2-O 3.16Å; F54-A61 VanDerWaalsContact CE2-O 3.29Å; F54-A61 WeakPolarHBondContact CE2-O 3.47Å; F54-A61 HydrophobicContact CG-CB 3.89Å; G59-A61 PolarHBondContact O-N 3.21Å; G59-A61 VanDerWaalsContact O-N 3.09Å
62A88.7Confident86.6Confident43 Ų4367 Ų6736%0.35538%0.382SS..EExtended strand (participates in β ladder)trans-145.8156-178.400000111H48H48-A62 PolarHBondContact N-O 2.89Å; H48-A62 PolarHBondContact O-N 2.85Å; H48-A62 VanDerWaalsContact O-N 3.16Å
63C91Very high86.6Confident14 Ų1467.8 Ų67.810%0.09539%0.389CS..EExtended strand (participates in β ladder)trans-77.7130.6172.4-65.90000110.4E26 C41 Y45 F54E26-C63 WeakPolarHBondContact O-CB 3.37Å; C41-C63 WeakPolarHBondContact CA-SG 3.48Å; C41-C63 HydrophobicContact CB-CB 4Å; C41-C63 WeakPolarHBondContact CB-SG 3.46Å; C41-C63 WeakPolarHBondContact SG-CA 3.33Å; C41-C63 WeakPolarHBondContact SG-CB 3.39Å; C41-C63 CovalentContact SG-SG 2.04Å; C41-C63 PolarHBondContact SG-SG 3.24Å; Y45-C63 HydrophobicContact CD1-CB 4.19Å; F54-C63 VanDerWaalsContact CZ-SG 3.52Å
64K91.3Very high86.5Confident113 Ų11365.9 Ų65.949%0.49138%0.376SS..EExtended strand (participates in β ladder)trans-119.9140.7169.1-72.7-171.3175.9176.10109.4Y45 K46 H48 V66Y45-K64 CarbonylContact C-O 3.52Å; Y45-K64 VanDerWaalsContact CA-O 3.25Å; Y45-K64 WeakPolarHBondContact CA-O 3.3Å; K46-K64 PolarHBondContact N-O 3.15Å; K46-K64 PolarHBondContact O-N 2.96Å; H48-K64 HydrophobicContact CB-CB 4.42Å; H48-K64 HydrophobicContact CB-CD 3.78Å; H48-K64 HydrophobicContact CB-CG 3.93Å; H48-K64 WeakPolarHBondContact CD2-CE 3.1Å; H48-K64 PolarHBondContact CD2-NZ 3.19Å; H48-K64 PolarHBondContact NE2-NZ 3.06Å; K64-V66 PolarHBondContact O-N 2.55Å
65V92.6Very high86.3Confident59 Ų5973.1 Ų73.136%0.35841%0.41SS..EExtended strand (participates in β ladder)trans-56.9140.5175.869.80000109.6G44 Y45 D67 T86G44-V65 WeakPolarHBondContact O-CA 3.32Å; Y45-V65 HydrophobicContact CD1-CB 4.21Å; Y45-V65 HydrophobicContact CE1-CB 3.94Å; V65-D67 PolarHBondContact O-N 3.08Å; V65-T86 HydrophobicContact CG1-CG2 3.77Å; V65-T86 HydrophobicContact CG2-CG2 4.5Å
66V93.9Very high86.2Confident6 Ų670.8 Ų70.84%0.03640%0.403CS..  trans-66.8126.1174.8172.20000108.3G44 K46 K64 T86 Y87G44-V66 WeakPolarHBondContact O-CB 3.42Å; G44-V66 WeakPolarHBondContact O-CG2 3.41Å; G44-V66 PolarHBondContact O-N 2.7Å; K46-V66 HydrophobicContact CB-CG2 4.33Å; K46-V66 HydrophobicContact CD-CG2 3.86Å; K46-V66 HydrophobicContact CG-CG2 3.65Å; K64-V66 PolarHBondContact O-N 2.55Å; V66-T86 CarbonylContact O-C 3.55Å; V66-T86 WeakPolarHBondContact O-CA 3.25Å; V66-Y87 PolarHBondContact O-N 3.48Å
67D93.6Very high86.5Confident94 Ų9469.2 Ų69.250%0.50339%0.394SS..BIsolated β-bridgetrans-113.1118.3172.8-172.40.2000108.2V65 G69 T85 T86V65-D67 PolarHBondContact O-N 3.08Å; D67-G69 PolarHBondContact OD1-N 3.12Å; D67-T85 WeakPolarHBondContact OD1-CB 3.35Å; D67-T85 VanDerWaalsContact OD1-O 3.1Å; D67-T85 PolarHBondContact OD1-OG1 2.71Å; D67-T86 HydrophobicContact CB-CG2 4.45Å
68C92.9Very high87.3Confident20 Ų2064.2 Ų64.214%0.13537%0.374CS..  trans-80.8-7.9178.5-64.10000112.2T85 C110 W116C68-T85 PolarHBondContact N-O 2.91Å; C68-C110 HydrophobicContact CB-CB 3.83Å; C68-C110 WeakPolarHBondContact CB-SG 3.35Å; C68-C110 WeakPolarHBondContact SG-CA 3.48Å; C68-C110 WeakPolarHBondContact SG-CB 3.35Å; C68-C110 CovalentContact SG-SG 2.03Å; C68-C110 PolarHBondContact SG-SG 3Å; C68-W116 HydrophobicContact CB-CD2 4.33Å; C68-W116 HydrophobicContact CB-CG 4.18Å
69G91.1Very high88.3Confident20 Ų2057.6 Ų57.621%0.20635%0.354CS..  trans67-162.5-174.600000112.9D67 T85 W116D67-G69 PolarHBondContact OD1-N 3.12Å; G69-T85 WeakPolarHBondContact O-CG2 3.39Å; G69-W116 PolarHBondContact O-NE1 3.36Å
70P91.9Very high89.4Confident118 Ų11860.2 Ų60.277%0.76635%0.354SS*.SBendtrans-60.9135.1178-22.333.6000112.1
71P90.9Very high90Very high16 Ų1660 Ų6010%0.10434%0.343CS..PPolyproline II helixtrans-66.3145.8179.327.2-34.6000112L73 L79 I82 A91 F93 W116P71-L73 PolarHBondContact O-N 3.46Å; P71-L79 HydrophobicContact CG-CD1 3.88Å; P71-L79 HydrophobicContact CG-CD2 3.95Å; P71-I82 HydrophobicContact CG-CD1 3.92Å; P71-A91 HydrophobicContact CB-CB 3.78Å; P71-A91 HydrophobicContact CG-CB 3.87Å; P71-F93 HydrophobicContact CB-CZ 4.07Å; P71-W116 HydrophobicContact CB-CD2 3.88Å; P71-W116 HydrophobicContact CB-CE3 4.42Å; P71-W116 HydrophobicContact CB-CG 4.11Å; P71-W116 HydrophobicContact CB-CZ2 4.19Å
72V88.7Confident90.3Very high116 Ų11662.9 Ų62.970%0.70336%0.357SS*.PPolyproline II helixtrans-71.2125.2176.8-175.50000108.9F93V72-F93 WeakPolarHBondContact O-CE1 3.45Å; V72-F93 VanDerWaalsContact O-CZ 3.3Å; V72-F93 WeakPolarHBondContact O-CZ 3.35Å
73L84.8Confident90.5Very high111 Ų11165 Ų6558%0.58137%0.366SS*.PPolyproline II helixtrans-69.6131.3175.8-74.2162.6000110.1P71 L79 F93P71-L73 PolarHBondContact O-N 3.46Å; L73-L79 HydrophobicContact CD2-CB 4.05Å; L73-F93 HydrophobicContact CD2-CE1 4.48Å
74V85.2Confident90.5Very high35 Ų3568.9 Ų68.921%0.21238%0.381CS..PPolyproline II helixtrans-78.5147.9172.8-174.50000108.9S77 F93 L121V74-S77 VanDerWaalsContact C-OG 3.3Å; V74-S77 WeakPolarHBondContact CA-OG 3.23Å; V74-S77 WeakPolarHBondContact CB-OG 2.98Å; V74-S77 PolarHBondContact N-OG 3.23Å; V74-S77 VanDerWaalsContact O-CB 3.32Å; V74-S77 WeakPolarHBondContact O-CB 3.11Å; V74-S77 PolarHBondContact O-N 3.23Å; V74-S77 PolarHBondContact O-OG 2.71Å; V74-F93 HydrophobicContact CG2-CD2 4.43Å; V74-F93 HydrophobicContact CG2-CE2 4.49Å; V74-L121 HydrophobicContact CG1-CB 4.37Å; V74-L121 WeakPolarHBondContact CG1-O 3.3Å
75E84.6Confident90.6Very high162 Ų16265.6 Ų65.676%0.75737%0.371SS*.THydrogen-bonded Turntrans-56.7138.5-179.4-166.6173.8-170.900111.7S77E75-S77 PolarHBondContact O-N 3.12Å; E75-S77 VanDerWaalsContact O-N 3.12Å
76D85.6Confident90.7Very high34 Ų3464.9 Ų64.918%0.18237%0.366CS..THydrogen-bonded Turntrans54.327.4-177.3-57.5-46.9000114.1E96 F99 C123 R143D76-E96 PolarHBondContact O-N 3.45Å; D76-F99 HydrophobicContact CB-CD1 3.82Å; D76-F99 HydrophobicContact CB-CD2 4.13Å; D76-F99 HydrophobicContact CB-CE1 3.59Å; D76-F99 HydrophobicContact CB-CE2 3.87Å; D76-F99 HydrophobicContact CB-CG 4.08Å; D76-F99 HydrophobicContact CB-CZ 3.6Å; D76-F99 VanDerWaalsContact CG-CE1 3.42Å; D76-F99 VanDerWaalsContact OD1-CZ 3.31Å; D76-F99 WeakPolarHBondContact OD1-CZ 3.37Å; D76-F99 VanDerWaalsContact OD2-CE1 3.23Å; D76-F99 WeakPolarHBondContact OD2-CE1 3.39Å; D76-F99 WeakPolarHBondContact OD2-CZ 3.34Å; D76-C123 HydrophobicContact CB-CB 4.19Å; D76-R143 IonicContact OD1-CZ 2.73Å; D76-R143 IonicContact OD1-NH1 3.32Å; D76-R143 IonicContact OD1-NH2 3.23Å; D76-R143 PolarHBondContact OD1-NH2 3.14Å
77S87.9Confident90.7Very high4 Ų469.1 Ų69.13%0.02838%0.383CS..EExtended strand (participates in β ladder)trans-124.7156.5-179.687.20000113.5V74 E75 G94V74-S77 VanDerWaalsContact C-OG 3.3Å; V74-S77 WeakPolarHBondContact CA-OG 3.23Å; V74-S77 WeakPolarHBondContact CB-OG 2.98Å; V74-S77 PolarHBondContact N-OG 3.23Å; V74-S77 VanDerWaalsContact O-CB 3.32Å; V74-S77 WeakPolarHBondContact O-CB 3.11Å; V74-S77 PolarHBondContact O-N 3.23Å; V74-S77 PolarHBondContact O-OG 2.71Å; E75-S77 PolarHBondContact O-N 3.12Å; E75-S77 VanDerWaalsContact O-N 3.12Å; S77-G94 CarbonylContact C-O 3.57Å; S77-G94 WeakPolarHBondContact CA-O 3.43Å; S77-G94 VanDerWaalsContact CB-O 3.26Å; S77-G94 WeakPolarHBondContact CB-O 3.38Å
78V91Very high90.5Very high55 Ų5566.3 Ų66.333%0.33338%0.376SS..EExtended strand (participates in β ladder)trans-116.4143.9173.1-64.30000110.6L80 F93 G94 E96V78-L80 HydrophobicContact CG2-CD2 4.02Å; V78-L80 PolarHBondContact O-N 3.11Å; V78-F93 CarbonylContact O-C 3.54Å; V78-F93 VanDerWaalsContact O-CA 3.3Å; V78-F93 WeakPolarHBondContact O-CA 3.42Å; V78-G94 PolarHBondContact N-O 3.44Å; V78-G94 PolarHBondContact O-N 2.84Å; V78-E96 HydrophobicContact CG1-CG 3.55Å
79L92.1Very high90.6Very high70 Ų7065.3 Ų65.337%0.36637%0.369SS..EExtended strand (participates in β ladder)trans-73.1115.5169.8-177.268.4000109.4P71 L73 A91 F93P71-L79 HydrophobicContact CG-CD1 3.88Å; P71-L79 HydrophobicContact CG-CD2 3.95Å; L73-L79 HydrophobicContact CD2-CB 4.05Å; L79-A91 HydrophobicContact CD1-CB 4.02Å; L79-F93 HydrophobicContact CB-CD1 4.5Å; L79-F93 HydrophobicContact CD1-CD1 4.07Å; L79-F93 HydrophobicContact CD1-CE1 3.82Å; L79-F93 HydrophobicContact CD1-CZ 4.38Å
80L91.7Very high90.7Very high111 Ų11166.2 Ų66.258%0.58137%0.371SS*.EExtended strand (participates in β ladder)trans-85.1-45.2-179.9-64.5176.8000112.1V78 R92 F93V78-L80 HydrophobicContact CG2-CD2 4.02Å; V78-L80 PolarHBondContact O-N 3.11Å; L80-R92 WeakPolarHBondContact CB-O 3.34Å; L80-R92 PolarHBondContact N-O 3.34Å; L80-F93 WeakPolarHBondContact CD1-O 3.3Å
81S92.6Very high90.8Very high51 Ų5160.6 Ų60.636%0.35733%0.334SS..EExtended strand (participates in β ladder)trans-158.8151.9-178.162.20000111.5R92S81-R92 PolarHBondContact N-O 3.35Å; S81-R92 PolarHBondContact O-N 3.47Å
82I93.1Very high90.9Very high68 Ų6865.6 Ų65.635%0.34935%0.351SS..EExtended strand (participates in β ladder)trans-135.8131.9173.6-170.7171.7000109.7P71 T85 A91 W116P71-I82 HydrophobicContact CG-CD1 3.92Å; I82-T85 HydrophobicContact CD1-CG2 3.72Å; I82-A91 HydrophobicContact CG1-CB 4.43Å; I82-W116 HydrophobicContact CD1-CH2 4.02Å; I82-W116 HydrophobicContact CD1-CZ2 3.86Å; I82-W116 HydrophobicContact CG1-CH2 4.22Å
83T93.4Very high91.1Very high89 Ų8960.1 Ų60.155%0.54632%0.318SS..SBendtrans-77.2-54.1178.9-40.20000111.4V90T83-V90 PolarHBondContact N-O 3.03Å; T83-V90 VanDerWaalsContact N-O 3.08Å; T83-V90 PolarHBondContact OG1-O 3.34Å
84F92Very high91.4Very high95 Ų9555.5 Ų55.542%0.41730%0.296SS..  trans-164.2163.3174.244-95.9000108.6T86 G89F84-T86 WeakPolarHBondContact CD2-O 3.37Å; F84-T86 WeakPolarHBondContact CD2-OG1 3.38Å; F84-G89 WeakPolarHBondContact O-CA 3.45Å
85T93.3Very high91.5Very high44 Ų4455.2 Ų55.227%0.2730%0.296SS..SBendtrans-94.3-7.5-178.158.80000114.1D67 C68 G69 I82 C110D67-T85 WeakPolarHBondContact OD1-CB 3.35Å; D67-T85 VanDerWaalsContact OD1-O 3.1Å; D67-T85 PolarHBondContact OD1-OG1 2.71Å; C68-T85 PolarHBondContact N-O 2.91Å; G69-T85 WeakPolarHBondContact O-CG2 3.39Å; I82-T85 HydrophobicContact CD1-CG2 3.72Å; T85-C110 PolarHBondContact O-SG 3.31Å; T85-C110 VanDerWaalsContact O-SG 3.36Å
86T93.8Very high91.5Very high43 Ų4351.4 Ų51.426%0.26428%0.278SS..BIsolated β-bridgetrans-80.5166.9178.456.60000112.6V65 V66 D67 F84 G88 G89 C110V65-T86 HydrophobicContact CG1-CG2 3.77Å; V65-T86 HydrophobicContact CG2-CG2 4.5Å; V66-T86 CarbonylContact O-C 3.55Å; V66-T86 WeakPolarHBondContact O-CA 3.25Å; D67-T86 HydrophobicContact CB-CG2 4.45Å; F84-T86 WeakPolarHBondContact CD2-O 3.37Å; F84-T86 WeakPolarHBondContact CD2-OG1 3.38Å; T86-G88 PolarHBondContact O-N 3.4Å; T86-G89 WeakPolarHBondContact O-CA 3.45Å; T86-G89 PolarHBondContact O-N 3.27Å; T86-C110 VanDerWaalsContact C-SG 3.56Å
87Y94Very high91.1Very high95 Ų9558.8 Ų58.837%0.37331%0.312SS..THydrogen-bonded Turntrans-41.7128.2-179.6177.2-108.9000113.5I43 V66 G89 A112I43-Y87 HydrophobicContact CG2-CE2 4.34Å; I43-Y87 WeakPolarHBondContact CG2-OH 3.31Å; V66-Y87 PolarHBondContact O-N 3.48Å; Y87-G89 VanDerWaalsContact C-N 3.28Å; Y87-A112 HydrophobicContact CD2-CB 4.16Å; Y87-A112 HydrophobicContact CE2-CB 3.75Å
88G90.7Very high90.4Very high35 Ų3559.8 Ų59.836%0.36132%0.322SS..THydrogen-bonded Turntrans81.6-0.3-17600000114.9T86 C110T86-G88 PolarHBondContact O-N 3.4Å; G88-C110 PolarHBondContact N-O 3.09Å
89G93.6Very high89.9Confident0 Ų058.1 Ų58.10%031%0.31CS..  trans-65145.8174.600000111.6F84 T86 Y87 V109 C110 W116F84-G89 WeakPolarHBondContact O-CA 3.45Å; T86-G89 WeakPolarHBondContact O-CA 3.45Å; T86-G89 PolarHBondContact O-N 3.27Å; Y87-G89 VanDerWaalsContact C-N 3.28Å; G89-V109 CarbonylContact O-C 3.24Å; G89-V109 VanDerWaalsContact O-CA 3.29Å; G89-V109 WeakPolarHBondContact O-CA 3.22Å; G89-C110 PolarHBondContact O-N 2.86Å; G89-W116 VanDerWaalsContact O-CZ3 3.26Å; G89-W116 WeakPolarHBondContact O-CZ3 3.38Å
90V94.3Very high89.5Confident39 Ų3957.1 Ų57.124%0.23631%0.307CS..EExtended strand (participates in β ladder)trans-121.3123.4-176.8-173.40000110T83 S108 V109T83-V90 PolarHBondContact N-O 3.03Å; T83-V90 VanDerWaalsContact N-O 3.08Å; T83-V90 PolarHBondContact OG1-O 3.34Å; V90-S108 WeakPolarHBondContact CA-O 3.37Å; V90-V109 HydrophobicContact CG2-CG2 4.3Å
91A93.6Very high89.3Confident0 Ų058.3 Ų58.30%030%0.304CS..EExtended strand (participates in β ladder)trans-102.1134.417100000109.2P71 L79 I82 F93 S107 S108 W116P71-A91 HydrophobicContact CB-CB 3.78Å; P71-A91 HydrophobicContact CG-CB 3.87Å; L79-A91 HydrophobicContact CD1-CB 4.02Å; I82-A91 HydrophobicContact CG1-CB 4.43Å; A91-F93 HydrophobicContact CB-CE2 4.31Å; A91-F93 HydrophobicContact CB-CZ 4.27Å; A91-S107 CarbonylContact O-C 3.52Å; A91-S107 VanDerWaalsContact O-CA 3.25Å; A91-S107 WeakPolarHBondContact O-CA 3.16Å; A91-S108 PolarHBondContact N-O 3.32Å; A91-S108 PolarHBondContact O-N 3.49Å; A91-W116 HydrophobicContact CB-CE3 4.11Å; A91-W116 HydrophobicContact CB-CH2 3.96Å; A91-W116 HydrophobicContact CB-CZ3 3.66Å
92R93.6Very high88.8Confident121 Ų12164.2 Ų64.246%0.45732%0.319SS..EExtended strand (participates in β ladder)trans-116132175.9-64.6-172.2179.898-0.4110.6L80 S81 N106L80-R92 WeakPolarHBondContact CB-O 3.34Å; L80-R92 PolarHBondContact N-O 3.34Å; S81-R92 PolarHBondContact N-O 3.35Å; S81-R92 PolarHBondContact O-N 3.47Å; R92-N106 CarbonylContact C-O 3.55Å; R92-N106 WeakPolarHBondContact CA-O 3.32Å
93F92.8Very high88.4Confident1 Ų168.5 Ų68.50%0.00433%0.33CS..EExtended strand (participates in β ladder)trans-108.4157.2-179.5-55.8-82.4000111.3P71 V72 L73 V74 V78 L79 L80 A91 N106 L121P71-F93 HydrophobicContact CB-CZ 4.07Å; V72-F93 WeakPolarHBondContact O-CE1 3.45Å; V72-F93 VanDerWaalsContact O-CZ 3.3Å; V72-F93 WeakPolarHBondContact O-CZ 3.35Å; L73-F93 HydrophobicContact CD2-CE1 4.48Å; V74-F93 HydrophobicContact CG2-CD2 4.43Å; V74-F93 HydrophobicContact CG2-CE2 4.49Å; V78-F93 CarbonylContact O-C 3.54Å; V78-F93 VanDerWaalsContact O-CA 3.3Å; V78-F93 WeakPolarHBondContact O-CA 3.42Å; L79-F93 HydrophobicContact CB-CD1 4.5Å; L79-F93 HydrophobicContact CD1-CD1 4.07Å; L79-F93 HydrophobicContact CD1-CE1 3.82Å; L79-F93 HydrophobicContact CD1-CZ 4.38Å; L80-F93 WeakPolarHBondContact CD1-O 3.3Å; A91-F93 HydrophobicContact CB-CE2 4.31Å; A91-F93 HydrophobicContact CB-CZ 4.27Å; F93-N106 PolarHBondContact N-O 3.47Å; F93-N106 WeakPolarHBondContact O-CB 3.39Å; F93-N106 PolarHBondContact O-ND2 3.28Å; F93-N106 VanDerWaalsContact O-ND2 3.15Å; F93-L121 HydrophobicContact CB-CD2 3.58Å
94G89.9Confident88.1Confident13 Ų1365.7 Ų65.713%0.13432%0.319CS..EExtended strand (participates in β ladder)trans-137.4164.317200000109.1S77 V78S77-G94 CarbonylContact C-O 3.57Å; S77-G94 WeakPolarHBondContact CA-O 3.43Å; S77-G94 VanDerWaalsContact CB-O 3.26Å; S77-G94 WeakPolarHBondContact CB-O 3.38Å; V78-G94 PolarHBondContact N-O 3.44Å; V78-G94 PolarHBondContact O-N 2.84Å
95C88.5Confident88Confident30 Ų3066.3 Ų66.320%0.20333%0.327CS..EExtended strand (participates in β ladder)trans-78.8146.7178.1-61.20000111.7F99 W101 C123C95-F99 HydrophobicContact CB-CB 3.7Å; C95-W101 VanDerWaalsContact SG-CA 3.56Å; C95-W101 PolarHBondContact SG-N 3.42Å; C95-C123 WeakPolarHBondContact CA-SG 3.43Å; C95-C123 HydrophobicContact CB-CB 3.83Å; C95-C123 WeakPolarHBondContact CB-SG 3.33Å; C95-C123 VanDerWaalsContact SG-CA 3.56Å; C95-C123 WeakPolarHBondContact SG-CB 3.37Å; C95-C123 CovalentContact SG-SG 2.04Å; C95-C123 PolarHBondContact SG-SG 3.4Å
96E83.8Confident87.9Confident82 Ų8266.1 Ų66.138%0.38332%0.324SS..PPolyproline II helixtrans-59.9163.7171.3-82.9-174.5177.600112.1D76 V78 G98 F99D76-E96 PolarHBondContact O-N 3.45Å; V78-E96 HydrophobicContact CG1-CG 3.55Å; E96-G98 PolarHBondContact O-N 2.99Å; E96-F99 HydrophobicContact CB-CD2 4.22Å; E96-F99 PolarHBondContact O-N 2.93Å
97E77.8Confident87.8Confident189 Ų18966 Ų6688%0.88333%0.325SS*.THydrogen-bonded Turntrans-58.3128.5177.1-164.9-176.9174.100110.9
98G72.1Confident87.7Confident24 Ų2461.7 Ų61.725%0.24731%0.309CS..THydrogen-bonded Turntrans91.40.8-17600000114.7E96 K126E96-G98 PolarHBondContact O-N 2.99Å; G98-K126 WeakPolarHBondContact O-CB 3.26Å; G98-K126 PolarHBondContact O-N 2.68Å
99F80.8Confident87.9Confident20 Ų2062.9 Ų62.99%0.08831%0.309CS..EExtended strand (participates in β ladder)trans-115.9155.4172.9-71-97.8000112.3D76 C95 E96 C123 E124 A125 R143D76-F99 HydrophobicContact CB-CD1 3.82Å; D76-F99 HydrophobicContact CB-CD2 4.13Å; D76-F99 HydrophobicContact CB-CE1 3.59Å; D76-F99 HydrophobicContact CB-CE2 3.87Å; D76-F99 HydrophobicContact CB-CG 4.08Å; D76-F99 HydrophobicContact CB-CZ 3.6Å; D76-F99 VanDerWaalsContact CG-CE1 3.42Å; D76-F99 VanDerWaalsContact OD1-CZ 3.31Å; D76-F99 WeakPolarHBondContact OD1-CZ 3.37Å; D76-F99 VanDerWaalsContact OD2-CE1 3.23Å; D76-F99 WeakPolarHBondContact OD2-CE1 3.39Å; D76-F99 WeakPolarHBondContact OD2-CZ 3.34Å; C95-F99 HydrophobicContact CB-CB 3.7Å; E96-F99 HydrophobicContact CB-CD2 4.22Å; E96-F99 PolarHBondContact O-N 2.93Å; F99-C123 HydrophobicContact CB-CB 4.08Å; F99-C123 HydrophobicContact CD1-CB 4.17Å; F99-C123 HydrophobicContact CG-CB 4.43Å; F99-E124 CarbonylContact C-O 3.57Å; F99-E124 WeakPolarHBondContact CA-O 3.28Å; F99-E124 VanDerWaalsContact CD1-C 3.41Å; F99-A125 HydrophobicContact CD1-CB 4.13Å; F99-A125 VanDerWaalsContact CD1-N 3.28Å; F99-A125 HydrophobicContact CE1-CB 3.86Å; F99-A125 HydrophobicContact CZ-CB 4.43Å; F99-R143 VanDerWaalsContact CZ-NH1 3.33Å
100V84.8Confident88Confident49 Ų4963 Ų6330%0.29731%0.309SS..EExtended strand (participates in β ladder)trans-127.2135.6177.2-68.90000110.5R102 E124 K126V100-R102 HydrophobicContact CG2-CG 4.13Å; V100-R102 PolarHBondContact O-N 2.95Å; V100-E124 WeakPolarHBondContact CG2-O 3.17Å; V100-E124 PolarHBondContact N-O 3.12Å; V100-E124 PolarHBondContact O-N 3.47Å; V100-K126 HydrophobicContact CG1-CB 4.45Å; V100-K126 HydrophobicContact CG1-CG 4.49Å
101W87.1Confident87.9Confident137 Ų13762.1 Ų62.152%0.51931%0.308SS..EExtended strand (participates in β ladder)trans-70.2115.9174174.426.7000109.1C95 R103 G104 N106 L121C95-W101 VanDerWaalsContact SG-CA 3.56Å; C95-W101 PolarHBondContact SG-N 3.42Å; W101-R103 PolarHBondContact NE1-O 3.45Å; W101-G104 VanDerWaalsContact CE2-O 3.31Å; W101-G104 VanDerWaalsContact CZ2-O 3.27Å; W101-G104 WeakPolarHBondContact CZ2-O 3.41Å; W101-G104 PolarHBondContact NE1-O 2.93Å; W101-N106 HydrophobicContact CH2-CB 4.36Å; W101-N106 HydrophobicContact CZ2-CB 4.22Å; W101-L121 HydrophobicContact CB-CD1 4.24Å; W101-L121 HydrophobicContact CD2-CD1 4.22Å; W101-L121 HydrophobicContact CG-CD1 3.65Å
102R82.3Confident87.8Confident175 Ų17564 Ų6466%0.6633%0.325SS*.EExtended strand (participates in β ladder)trans-111.9-38.4-178.3-72.8-70.2-164.9172.21.6113V100 V122 E124V100-R102 HydrophobicContact CG2-CG 4.13Å; V100-R102 PolarHBondContact O-N 2.95Å; R102-V122 PolarHBondContact N-O 2.97Å; R102-E124 HydrophobicContact CB-CG 4.34Å; R102-E124 HydrophobicContact CG-CB 4.04Å; R102-E124 HydrophobicContact CG-CG 4.2Å
103R85.3Confident87.6Confident157 Ų15763 Ų6359%0.59233%0.328SS*.EExtended strand (participates in β ladder)trans-143.7157.4-172.2-69.6-178.3-76.4-178.9-2.7111.5W101 V122 E124W101-R103 PolarHBondContact NE1-O 3.45Å; R103-V122 HydrophobicContact CB-CB 4.24Å; R103-V122 HydrophobicContact CB-CG2 4.46Å; R103-V122 PolarHBondContact O-N 2.81Å; R103-E124 IonicContact CZ-OE1 3.4Å; R103-E124 IonicContact NE-OE1 3.81Å; R103-E124 IonicContact NH2-OE1 2.72Å; R103-E124 PolarHBondContact NH2-OE1 3.49Å
104G86.7Confident87.4Confident30 Ų3064 Ų6431%0.30934%0.339SS..SBendtrans74.2177.8174.500000115.4W101 S120W101-G104 VanDerWaalsContact CE2-O 3.31Å; W101-G104 VanDerWaalsContact CZ2-O 3.27Å; W101-G104 WeakPolarHBondContact CZ2-O 3.41Å; W101-G104 PolarHBondContact NE1-O 2.93Å; G104-S120 WeakPolarHBondContact CA-O 3.26Å; G104-S120 WeakPolarHBondContact CA-OG 3.42Å
105D88.8Confident87.6Confident108 Ų10866.4 Ų66.458%0.57835%0.353SS*.  trans-95.6130.4-173.4-66.4-35.2000111S107 S119 S120 L121D105-S107 PolarHBondContact O-N 2.93Å; D105-S119 PolarHBondContact O-OG 3.19Å; D105-S120 PolarHBondContact N-OG 3.4Å; D105-L121 PolarHBondContact O-N 3.01Å
106N90.9Very high87.8Confident40 Ų4066.3 Ų66.321%0.21435%0.349CS..  trans-84.413.5-177.278.5-26.3000113.7R92 F93 W101 L121R92-N106 CarbonylContact C-O 3.55Å; R92-N106 WeakPolarHBondContact CA-O 3.32Å; F93-N106 PolarHBondContact N-O 3.47Å; F93-N106 WeakPolarHBondContact O-CB 3.39Å; F93-N106 PolarHBondContact O-ND2 3.28Å; F93-N106 VanDerWaalsContact O-ND2 3.15Å; W101-N106 HydrophobicContact CH2-CB 4.36Å; W101-N106 HydrophobicContact CZ2-CB 4.22Å; N106-L121 HydrophobicContact CB-CD1 4.06Å; N106-L121 HydrophobicContact CB-CD2 4.35Å
107S91.9Very high88.2Confident42 Ų4265 Ų6529%0.29435%0.348SS..EExtended strand (participates in β ladder)trans-120.4144.8-177.460.90000112.2A91 D105A91-S107 CarbonylContact O-C 3.52Å; A91-S107 VanDerWaalsContact O-CA 3.25Å; A91-S107 WeakPolarHBondContact O-CA 3.16Å; D105-S107 PolarHBondContact O-N 2.93Å
108S93.4Very high88.6Confident4 Ų465.1 Ų65.13%0.02835%0.349CS..EExtended strand (participates in β ladder)trans-125142.8168.5178.30000109.8V90 A91 W116 S117V90-S108 WeakPolarHBondContact CA-O 3.37Å; A91-S108 PolarHBondContact N-O 3.32Å; A91-S108 PolarHBondContact O-N 3.49Å; S108-W116 WeakPolarHBondContact O-CZ3 3.36Å; S108-W116 WeakPolarHBondContact OG-CB 3.32Å; S108-S117 VanDerWaalsContact CB-O 3.31Å; S108-S117 WeakPolarHBondContact CB-O 3.27Å; S108-S117 PolarHBondContact OG-N 3.49Å; S108-S117 PolarHBondContact OG-O 3.01Å
109V94.4Very high89.2Confident60 Ų6064.8 Ų64.836%0.36434%0.343SS..EExtended strand (participates in β ladder)trans-119.9134.2-176.8-1740000109.8G89 V90 G111 S117G89-V109 CarbonylContact O-C 3.24Å; G89-V109 VanDerWaalsContact O-CA 3.29Å; G89-V109 WeakPolarHBondContact O-CA 3.22Å; V90-V109 HydrophobicContact CG2-CG2 4.3Å; V109-G111 PolarHBondContact O-N 2.84Å; V109-S117 PolarHBondContact N-OG 2.92Å; V109-S117 WeakPolarHBondContact O-CB 3.49Å; V109-S117 PolarHBondContact O-N 3.36Å
110C94.5Very high89.4Confident1 Ų166.8 Ų66.81%0.00736%0.359CS..BIsolated β-bridgetrans-70.2114.3177174.40000110.9C68 T85 T86 G88 G89 W116C68-C110 HydrophobicContact CB-CB 3.83Å; C68-C110 WeakPolarHBondContact CB-SG 3.35Å; C68-C110 WeakPolarHBondContact SG-CA 3.48Å; C68-C110 WeakPolarHBondContact SG-CB 3.35Å; C68-C110 CovalentContact SG-SG 2.03Å; C68-C110 PolarHBondContact SG-SG 3Å; T85-C110 PolarHBondContact O-SG 3.31Å; T85-C110 VanDerWaalsContact O-SG 3.36Å; T86-C110 VanDerWaalsContact C-SG 3.56Å; G88-C110 PolarHBondContact N-O 3.09Å; G89-C110 PolarHBondContact O-N 2.86Å; C110-W116 HydrophobicContact CB-CD2 4.38Å; C110-W116 HydrophobicContact CB-CE3 4.22Å; C110-W116 HydrophobicContact CB-CH2 4.22Å; C110-W116 HydrophobicContact CB-CZ2 4.37Å; C110-W116 HydrophobicContact CB-CZ3 4.14Å
111G92.8Very high89.6Confident21 Ų2164.8 Ų64.822%0.21635%0.347CS..  trans-81.7167-178.600000113.9V109 D113 G114 S115V109-G111 PolarHBondContact O-N 2.84Å; G111-D113 WeakPolarHBondContact CA-OD1 3.48Å; G111-D113 PolarHBondContact O-N 2.99Å; G111-G114 PolarHBondContact O-N 2.93Å; G111-S115 PolarHBondContact N-O 3.32Å
112A90.8Very high89.7Confident41 Ų4161.2 Ų61.234%0.33934%0.34SS..THydrogen-bonded Turntrans-70.8-18.3176.900000112.9I43 K46 Y87 G114I43-A112 HydrophobicContact CG2-CB 3.79Å; K46-A112 WeakPolarHBondContact CE-O 3.49Å; Y87-A112 HydrophobicContact CD2-CB 4.16Å; Y87-A112 HydrophobicContact CE2-CB 3.75Å; A112-G114 PolarHBondContact O-N 2.8Å
113D90.4Very high89.8Confident100 Ų10053.5 Ų53.554%0.53531%0.313SS..THydrogen-bonded Turntrans-72.4-14.7173.668.6-43.5000112.4K46 G111 S115K46-D113 PolarHBondContact NZ-O 3.48Å; G111-D113 WeakPolarHBondContact CA-OD1 3.48Å; G111-D113 PolarHBondContact O-N 2.99Å; D113-S115 PolarHBondContact OD1-N 3.49Å; D113-S115 WeakPolarHBondContact OD2-CB 3.15Å; D113-S115 PolarHBondContact OD2-OG 3.06Å
114G88.8Confident89.7Confident22 Ų2249.3 Ų49.323%0.22730%0.3CS..SBendtrans86.716.8-176.400000113.7G111 A112G111-G114 PolarHBondContact O-N 2.93Å; A112-G114 PolarHBondContact O-N 2.8Å
115S93.3Very high89.3Confident62 Ų6250.3 Ų50.343%0.43431%0.306SS..SBendtrans-115.1150172.9-39.10000110.5G111 D113G111-S115 PolarHBondContact N-O 3.32Å; D113-S115 PolarHBondContact OD1-N 3.49Å; D113-S115 WeakPolarHBondContact OD2-CB 3.15Å; D113-S115 PolarHBondContact OD2-OG 3.06Å
116W93.3Very high88.8Confident29 Ų2949.4 Ų49.411%0.1130%0.296CS..BIsolated β-bridgetrans-71.3134168.3-77.398.5000109.8C68 G69 P71 I82 G89 A91 S108 C110C68-W116 HydrophobicContact CB-CD2 4.33Å; C68-W116 HydrophobicContact CB-CG 4.18Å; G69-W116 PolarHBondContact O-NE1 3.36Å; P71-W116 HydrophobicContact CB-CD2 3.88Å; P71-W116 HydrophobicContact CB-CE3 4.42Å; P71-W116 HydrophobicContact CB-CG 4.11Å; P71-W116 HydrophobicContact CB-CZ2 4.19Å; I82-W116 HydrophobicContact CD1-CH2 4.02Å; I82-W116 HydrophobicContact CD1-CZ2 3.86Å; I82-W116 HydrophobicContact CG1-CH2 4.22Å; G89-W116 VanDerWaalsContact O-CZ3 3.26Å; G89-W116 WeakPolarHBondContact O-CZ3 3.38Å; A91-W116 HydrophobicContact CB-CE3 4.11Å; A91-W116 HydrophobicContact CB-CH2 3.96Å; A91-W116 HydrophobicContact CB-CZ3 3.66Å; S108-W116 WeakPolarHBondContact O-CZ3 3.36Å; S108-W116 WeakPolarHBondContact OG-CB 3.32Å; C110-W116 HydrophobicContact CB-CD2 4.38Å; C110-W116 HydrophobicContact CB-CE3 4.22Å; C110-W116 HydrophobicContact CB-CH2 4.22Å; C110-W116 HydrophobicContact CB-CZ2 4.37Å; C110-W116 HydrophobicContact CB-CZ3 4.14Å
117S92.3Very high88.3Confident54 Ų5447.6 Ų47.638%0.37829%0.287SS..PPolyproline II helixtrans-60.2143.717772.30000110.7S108 V109 S119S108-S117 VanDerWaalsContact CB-O 3.31Å; S108-S117 WeakPolarHBondContact CB-O 3.27Å; S108-S117 PolarHBondContact OG-N 3.49Å; S108-S117 PolarHBondContact OG-O 3.01Å; V109-S117 PolarHBondContact N-OG 2.92Å; V109-S117 WeakPolarHBondContact O-CB 3.49Å; V109-S117 PolarHBondContact O-N 3.36Å; S117-S119 PolarHBondContact O-N 3.45Å; S117-S119 VanDerWaalsContact O-N 3.16Å
118E85.2Confident87.7Confident192 Ų19247.9 Ų47.990%0.89730%0.296SS*.PPolyproline II helixtrans-60.5121.7178.6-166.1176.6-18000110.5
119S84.6Confident87.2Confident17 Ų1753.6 Ų53.612%0.11933%0.333CS..PPolyproline II helixtrans-85.6125.4172.2170.60000108.2D105 S117 L121D105-S119 PolarHBondContact O-OG 3.19Å; S117-S119 PolarHBondContact O-N 3.45Å; S117-S119 VanDerWaalsContact O-N 3.16Å; S119-L121 PolarHBondContact O-N 3.28Å; S119-L121 WeakPolarHBondContact OG-CB 3.39Å; S119-L121 PolarHBondContact OG-N 2.72Å
120S86.4Confident86.8Confident61 Ų6153.7 Ų53.743%0.42733%0.334SS..  trans-84.313.2179.456.90000113.2G104 D105 V122G104-S120 WeakPolarHBondContact CA-O 3.26Å; G104-S120 WeakPolarHBondContact CA-OG 3.42Å; D105-S120 PolarHBondContact N-OG 3.4Å; S120-V122 WeakPolarHBondContact O-CG2 3.42Å; S120-V122 PolarHBondContact O-N 2.81Å; S120-V122 VanDerWaalsContact O-N 3.12Å
121L87.9Confident86.6Confident8 Ų854.1 Ų54.14%0.04234%0.337CS..  trans-57114.7-177.3177.662.1000111.1V74 F93 W101 D105 N106 S119V74-L121 HydrophobicContact CG1-CB 4.37Å; V74-L121 WeakPolarHBondContact CG1-O 3.3Å; F93-L121 HydrophobicContact CB-CD2 3.58Å; W101-L121 HydrophobicContact CB-CD1 4.24Å; W101-L121 HydrophobicContact CD2-CD1 4.22Å; W101-L121 HydrophobicContact CG-CD1 3.65Å; D105-L121 PolarHBondContact O-N 3.01Å; N106-L121 HydrophobicContact CB-CD1 4.06Å; N106-L121 HydrophobicContact CB-CD2 4.35Å; S119-L121 PolarHBondContact O-N 3.28Å; S119-L121 WeakPolarHBondContact OG-CB 3.39Å; S119-L121 PolarHBondContact OG-N 2.72Å
122V89Confident86.4Confident61 Ų6161.3 Ų61.337%0.3736%0.362SS..EExtended strand (participates in β ladder)trans-107.2108.7172.2-174.30000108.9R102 R103 S120 E124R102-V122 PolarHBondContact N-O 2.97Å; R103-V122 HydrophobicContact CB-CB 4.24Å; R103-V122 HydrophobicContact CB-CG2 4.46Å; R103-V122 PolarHBondContact O-N 2.81Å; S120-V122 WeakPolarHBondContact O-CG2 3.42Å; S120-V122 PolarHBondContact O-N 2.81Å; S120-V122 VanDerWaalsContact O-N 3.12Å; V122-E124 HydrophobicContact CG1-CG 4.21Å
123C85.9Confident86.4Confident13 Ų1360.9 Ų60.99%0.08835%0.354CS..EExtended strand (participates in β ladder)trans-89.4118.4171.9-70.10000109.1D76 C95 F99D76-C123 HydrophobicContact CB-CB 4.19Å; C95-C123 WeakPolarHBondContact CA-SG 3.43Å; C95-C123 HydrophobicContact CB-CB 3.83Å; C95-C123 WeakPolarHBondContact CB-SG 3.33Å; C95-C123 VanDerWaalsContact SG-CA 3.56Å; C95-C123 WeakPolarHBondContact SG-CB 3.37Å; C95-C123 CovalentContact SG-SG 2.04Å; C95-C123 PolarHBondContact SG-SG 3.4Å; F99-C123 HydrophobicContact CB-CB 4.08Å; F99-C123 HydrophobicContact CD1-CB 4.17Å; F99-C123 HydrophobicContact CG-CB 4.43Å
124E83.1Confident86.5Confident69 Ų6958.4 Ų58.432%0.32235%0.348SS..EExtended strand (participates in β ladder)trans-104.2137.3176.5-68.2-179.9-170.600109.5F99 V100 R102 R103 V122 K126F99-E124 CarbonylContact C-O 3.57Å; F99-E124 WeakPolarHBondContact CA-O 3.28Å; F99-E124 VanDerWaalsContact CD1-C 3.41Å; V100-E124 WeakPolarHBondContact CG2-O 3.17Å; V100-E124 PolarHBondContact N-O 3.12Å; V100-E124 PolarHBondContact O-N 3.47Å; R102-E124 HydrophobicContact CB-CG 4.34Å; R102-E124 HydrophobicContact CG-CB 4.04Å; R102-E124 HydrophobicContact CG-CG 4.2Å; R103-E124 IonicContact CZ-OE1 3.4Å; R103-E124 IonicContact NE-OE1 3.81Å; R103-E124 IonicContact NH2-OE1 2.72Å; R103-E124 PolarHBondContact NH2-OE1 3.49Å; V122-E124 HydrophobicContact CG1-CG 4.21Å; E124-K126 PolarHBondContact O-N 3.08Å
125A76.8Confident86.6Confident52 Ų5261.9 Ų61.943%0.4336%0.358SS..EExtended strand (participates in β ladder)trans-57.3131.8177.900000109.5F99 C127F99-A125 HydrophobicContact CD1-CB 4.13Å; F99-A125 VanDerWaalsContact CD1-N 3.28Å; F99-A125 HydrophobicContact CE1-CB 3.86Å; F99-A125 HydrophobicContact CZ-CB 4.43Å; A125-C127 CarbonylContact C-O 3.59Å; A125-C127 WeakPolarHBondContact CB-O 3.25Å; A125-C127 PolarHBondContact O-N 3.12Å
126K78.1Confident86.7Confident88 Ų8860 Ų6038%0.38334%0.344SS..SBendtrans-56.8-38.6-178.5-176.8178.6178.2175.50111G98 V100 E124 G167 G169G98-K126 WeakPolarHBondContact O-CB 3.26Å; G98-K126 PolarHBondContact O-N 2.68Å; V100-K126 HydrophobicContact CG1-CB 4.45Å; V100-K126 HydrophobicContact CG1-CG 4.49Å; E124-K126 PolarHBondContact O-N 3.08Å; K126-G167 WeakPolarHBondContact CE-O 3.49Å; K126-G167 PolarHBondContact NZ-O 2.78Å; K126-G169 WeakPolarHBondContact O-CA 3.3Å
127C80.4Confident86.7Confident3 Ų362.4 Ų62.42%0.0236%0.357CS..SBendtrans-99.4142.2166.8-72.50000109.8A125 C165 G169 W171A125-C127 CarbonylContact C-O 3.59Å; A125-C127 WeakPolarHBondContact CB-O 3.25Å; A125-C127 PolarHBondContact O-N 3.12Å; C127-C165 HydrophobicContact CB-CB 3.9Å; C127-C165 WeakPolarHBondContact CB-SG 3.34Å; C127-C165 WeakPolarHBondContact SG-CA 3.06Å; C127-C165 WeakPolarHBondContact SG-CB 3.23Å; C127-C165 CovalentContact SG-SG 2.02Å; C127-C165 PolarHBondContact SG-SG 2.81Å; C127-G169 WeakPolarHBondContact CA-O 3.46Å; C127-W171 HydrophobicContact CB-CD2 4.16Å; C127-W171 HydrophobicContact CB-CG 4.28Å; C127-W171 HydrophobicContact CB-CZ2 4.04Å
128G79.6Confident86.8Confident47 Ų4762.9 Ų62.949%0.48536%0.357SS..  trans-64.5-164.6176.800000113.6W171G128-W171 PolarHBondContact O-NE1 3.47Å
129P84Confident87.2Confident124 Ų12456.6 Ų56.681%0.80533%0.332SS*.SBendtrans-58.1150.2-179.125.6-34.4000111.6W171P129-W171 PolarHBondContact O-NE1 2.88Å
130V86.3Confident87.5Confident62 Ų6261.7 Ų61.738%0.37635%0.349SS..PPolyproline II helixtrans-50.8132179.1173.50000110.2F132 V138 V146V130-F132 PolarHBondContact O-N 2.93Å; V130-V138 HydrophobicContact CG1-CG2 3.99Å; V130-V146 HydrophobicContact CB-CG2 4.48Å; V130-V146 HydrophobicContact CG1-CB 4.25Å; V130-V146 HydrophobicContact CG1-CG1 3.65Å; V130-V146 HydrophobicContact CG1-CG2 3.91Å; V130-V146 HydrophobicContact CG2-CG2 3.86Å
131P88.7Confident87.5Confident11 Ų1164.3 Ų64.37%0.07135%0.354CS..PPolyproline II helixtrans-58.4129.7179.4-24.433.6000112H148 W171 R173P131-H148 PolarHBondContact O-CE1 2.96Å; P131-W171 HydrophobicContact CG-CB 3.42Å; P131-W171 VanDerWaalsContact CG-CB 3.42Å; P131-W171 HydrophobicContact CG-CD2 4.04Å; P131-W171 HydrophobicContact CG-CG 3.52Å; P131-R173 HydrophobicContact CB-CG 3.84Å; P131-R173 HydrophobicContact CG-CG 4.01Å
132F89.7Confident87.2Confident172 Ų17267.8 Ų67.875%0.75437%0.373SS*.PPolyproline II helixtrans-70.2131.2170.8177.1-100.8000110.4V130 A134V130-F132 PolarHBondContact O-N 2.93Å; F132-A134 HydrophobicContact CE1-CB 4.3Å
133L91.1Very high86.4Confident31 Ų3170.6 Ų70.616%0.16238%0.377CS..  trans-127.5123.2174.8-175.178.6000108.6S136 H148 A174 L176L133-S136 VanDerWaalsContact CB-OG 3.26Å; L133-S136 WeakPolarHBondContact CB-OG 3.37Å; L133-S136 PolarHBondContact O-N 2.91Å; L133-S136 PolarHBondContact O-OG 3Å; L133-H148 HydrophobicContact CD2-CB 3.89Å; L133-A174 HydrophobicContact CD2-CB 4.31Å; L133-L176 HydrophobicContact CD2-CB 3.89Å; L133-L176 HydrophobicContact CD2-CD2 4.01Å; L133-L176 HydrophobicContact CD2-CG 4.2Å
134A91.6Very high86.1Confident49 Ų4972.1 Ų72.141%0.40539%0.388SS..THydrogen-bonded Turntrans-62.3140.9-171.200000112.3F132 S136F132-A134 HydrophobicContact CE1-CB 4.3Å; A134-S136 PolarHBondContact O-N 3.43Å; A134-S136 VanDerWaalsContact O-N 3.14Å
135H91.9Very high86.3Confident95 Ų9570.8 Ų70.844%0.4438%0.384SS..THydrogen-bonded Turntrans54.330.6179.3-46.9-69.8000113.9C150 V151 Y154 C178H135-C150 WeakPolarHBondContact O-CA 3.32Å; H135-V151 PolarHBondContact O-N 3.17Å; H135-Y154 HydrophobicContact CB-CD1 3.53Å; H135-Y154 HydrophobicContact CB-CD2 4.08Å; H135-Y154 HydrophobicContact CB-CE1 3.68Å; H135-Y154 HydrophobicContact CB-CE2 4.21Å; H135-Y154 HydrophobicContact CB-CG 3.76Å; H135-Y154 AromaticContact CD2-CE1 3.79Å; H135-Y154 AromaticContact CE1-CE1 3.98Å; H135-Y154 AromaticContact CE1-CZ 3.81Å; H135-Y154 PolarHBondContact CE1-OH 2.8Å; H135-Y154 AromaticContact CG-CD1 3.77Å; H135-Y154 AromaticContact CG-CE1 3.37Å; H135-Y154 AromaticContact CG-CZ 3.63Å; H135-Y154 AromaticContact ND1-CE1 3.51Å; H135-Y154 AromaticContact ND1-CE2 3.85Å; H135-Y154 AromaticContact ND1-CZ 3.26Å; H135-Y154 VanDerWaalsContact ND1-CZ 3.26Å; H135-Y154 PolarHBondContact ND1-OH 2.8Å; H135-C178 HydrophobicContact CB-CB 3.94Å; H135-C178 WeakPolarHBondContact O-CB 3.38Å
136S94.4Very high87Confident21 Ų2168.3 Ų68.315%0.14736%0.364CS..EExtended strand (participates in β ladder)trans-133.3157.9178.380.50000111.4L133 A134 R149L133-S136 VanDerWaalsContact CB-OG 3.26Å; L133-S136 WeakPolarHBondContact CB-OG 3.37Å; L133-S136 PolarHBondContact O-N 2.91Å; L133-S136 PolarHBondContact O-OG 3Å; A134-S136 PolarHBondContact O-N 3.43Å; A134-S136 VanDerWaalsContact O-N 3.14Å; S136-R149 CarbonylContact C-O 3.57Å; S136-R149 WeakPolarHBondContact CA-O 3.2Å; S136-R149 WeakPolarHBondContact CB-O 3.42Å
137E94.1Very high87.7Confident80 Ų8066.7 Ų66.737%0.37436%0.359SS..EExtended strand (participates in β ladder)trans-122.4155.3174.158.9178.7-168.500110.1V139 H148 R149 V151E137-V139 HydrophobicContact CG-CG1 4.48Å; E137-H148 CarbonylContact O-C 3.57Å; E137-H148 WeakPolarHBondContact O-CA 3.47Å; E137-R149 HydrophobicContact CG-CB 4.49Å; E137-R149 PolarHBondContact N-O 3.05Å; E137-R149 PolarHBondContact O-N 3.14Å; E137-R149 IonicContact OE1-CZ 3.79Å; E137-R149 IonicContact OE1-NE 3.66Å; E137-R149 PolarHBondContact OE1-NE 3.15Å; E137-R149 IonicContact OE1-NH2 2.78Å; E137-R149 PolarHBondContact OE1-NH2 3.04Å; E137-V151 HydrophobicContact CB-CG1 4.03Å; E137-V151 HydrophobicContact CG-CG1 4.2Å
138V94.2Very high88.4Confident64 Ų6466.8 Ų66.839%0.38836%0.358SS..EExtended strand (participates in β ladder)trans-85.3119.61741760000108.4V130 H141 V146V130-V138 HydrophobicContact CG1-CG2 3.99Å; V138-H141 HydrophobicContact CG1-CB 4.36Å; V138-V146 HydrophobicContact CB-CG1 4.35Å; V138-V146 HydrophobicContact CG1-CG1 3.65Å; V138-V146 HydrophobicContact CG2-CG1 3.82Å
139V94.3Very high89Confident61 Ų6171.3 Ų71.337%0.3736%0.361SS..EExtended strand (participates in β ladder)trans-94.9-23.1178.8-690000112.8E137 I147 R149E137-V139 HydrophobicContact CG-CG1 4.48Å; V139-I147 HydrophobicContact CG2-CB 4Å; V139-I147 HydrophobicContact CG2-CG2 3.66Å; V139-I147 VanDerWaalsContact CG2-O 3.29Å; V139-I147 WeakPolarHBondContact CG2-O 3.41Å; V139-I147 PolarHBondContact N-O 3.05Å; V139-R149 HydrophobicContact CG1-CB 3.46Å; V139-R149 VanDerWaalsContact CG1-CB 3.46Å; V139-R149 HydrophobicContact CG1-CG 4.33Å; V139-R149 VanDerWaalsContact CG1-CZ 3.47Å; V139-R149 HydrophobicContact CG2-CB 4.35Å
140W90.6Very high89.4Confident124 Ų12466.1 Ų66.147%0.4733%0.328SS..EExtended strand (participates in β ladder)trans-161.8143.7-178.9-177.686.9000110.5N142 V145 I147W140-N142 HydrophobicContact CH2-CB 3.52Å; W140-N142 WeakPolarHBondContact CH2-ND2 3.48Å; W140-N142 HydrophobicContact CZ2-CB 3.72Å; W140-N142 HydrophobicContact CZ3-CB 4.2Å; W140-V145 HydrophobicContact CZ3-CB 4.08Å; W140-V145 HydrophobicContact CZ3-CG1 4.18Å; W140-I147 HydrophobicContact CB-CB 4.47Å; W140-I147 HydrophobicContact CD2-CD1 4.46Å; W140-I147 HydrophobicContact CE3-CD1 3.8Å; W140-I147 HydrophobicContact CE3-CG1 3.96Å; W140-I147 HydrophobicContact CZ3-CD1 4.36Å; W140-I147 PolarHBondContact O-N 2.9Å
141H86.1Confident89.7Confident115 Ų11565.2 Ų65.253%0.53232%0.322SS..EExtended strand (participates in β ladder)trans-149144.8170.76589.3000111.7V138 V145 V146V138-H141 HydrophobicContact CG1-CB 4.36Å; H141-V145 VanDerWaalsContact CA-O 3.27Å; H141-V145 WeakPolarHBondContact CA-O 3.33Å; H141-V146 HydrophobicContact CB-CB 4.49Å; H141-V146 HydrophobicContact CB-CG1 4.5Å; H141-V146 HydrophobicContact CB-CG2 3.95Å
142N81.4Confident89.4Confident81 Ų8169.6 Ų69.643%0.43336%0.359SS..  trans-123.632.417073.2-14.3000112.3W140 S144 V145W140-N142 HydrophobicContact CH2-CB 3.52Å; W140-N142 WeakPolarHBondContact CH2-ND2 3.48Å; W140-N142 HydrophobicContact CZ2-CB 3.72Å; W140-N142 HydrophobicContact CZ3-CB 4.2Å; N142-S144 PolarHBondContact O-N 2.88Å; N142-V145 PolarHBondContact N-O 3.17Å; N142-V145 WeakPolarHBondContact OD1-CA 3.4Å; N142-V145 WeakPolarHBondContact OD1-CB 3.4Å; N142-V145 PolarHBondContact OD1-N 3.07Å; N142-V145 PolarHBondContact OD1-O 2.85Å
143R73.2Confident88.8Confident121 Ų12163.3 Ų63.346%0.45734%0.343SS..SBendtrans66-26.2-178.4-50.9-175.4-173.2-99.121.9115.6D76 F99 W171D76-R143 IonicContact OD1-CZ 2.73Å; D76-R143 IonicContact OD1-NH1 3.32Å; D76-R143 IonicContact OD1-NH2 3.23Å; D76-R143 PolarHBondContact OD1-NH2 3.14Å; F99-R143 VanDerWaalsContact CZ-NH1 3.33Å; R143-W171 WeakPolarHBondContact O-CH2 3.42Å; R143-W171 WeakPolarHBondContact O-CZ2 3.43Å
144S78.9Confident88.5Confident45 Ų4564.7 Ų64.732%0.31535%0.346SS..SBendtrans-98.1-30.1172.7-65.20000113.1N142 V164 C165 W171N142-S144 PolarHBondContact O-N 2.88Å; S144-V164 CarbonylContact O-C 3.53Å; S144-C165 WeakPolarHBondContact O-CB 3.49Å; S144-C165 PolarHBondContact O-N 3.31Å; S144-W171 WeakPolarHBondContact O-CZ3 3.17Å
145V87.3Confident88Confident40 Ų4065 Ų6524%0.24234%0.339CS..EExtended strand (participates in β ladder)trans-130.5139.3177.8-178.80000108.9W140 H141 N142 A162 S163 V164W140-V145 HydrophobicContact CZ3-CB 4.08Å; W140-V145 HydrophobicContact CZ3-CG1 4.18Å; H141-V145 VanDerWaalsContact CA-O 3.27Å; H141-V145 WeakPolarHBondContact CA-O 3.33Å; N142-V145 PolarHBondContact N-O 3.17Å; N142-V145 WeakPolarHBondContact OD1-CA 3.4Å; N142-V145 WeakPolarHBondContact OD1-CB 3.4Å; N142-V145 PolarHBondContact OD1-N 3.07Å; N142-V145 PolarHBondContact OD1-O 2.85Å; V145-A162 HydrophobicContact CG1-CB 4.48Å; V145-S163 WeakPolarHBondContact CA-O 2.96Å; V145-V164 HydrophobicContact CG2-CG1 4.34Å; V145-V164 HydrophobicContact CG2-CG2 4.38Å
146V91.9Very high87.7Confident1 Ų164.3 Ų64.31%0.00635%0.345CS..EExtended strand (participates in β ladder)trans-126.3129.6175.9179.50000108.3V130 V138 H141 A162 S163 W171V130-V146 HydrophobicContact CB-CG2 4.48Å; V130-V146 HydrophobicContact CG1-CB 4.25Å; V130-V146 HydrophobicContact CG1-CG1 3.65Å; V130-V146 HydrophobicContact CG1-CG2 3.91Å; V130-V146 HydrophobicContact CG2-CG2 3.86Å; V138-V146 HydrophobicContact CB-CG1 4.35Å; V138-V146 HydrophobicContact CG1-CG1 3.65Å; V138-V146 HydrophobicContact CG2-CG1 3.82Å; H141-V146 HydrophobicContact CB-CB 4.49Å; H141-V146 HydrophobicContact CB-CG1 4.5Å; H141-V146 HydrophobicContact CB-CG2 3.95Å; V146-A162 CarbonylContact O-C 3.56Å; V146-A162 VanDerWaalsContact O-CA 3.28Å; V146-A162 WeakPolarHBondContact O-CA 3.23Å; V146-S163 PolarHBondContact N-O 3.38Å; V146-S163 PolarHBondContact O-N 3.19Å; V146-W171 HydrophobicContact CG2-CH2 3.51Å; V146-W171 HydrophobicContact CG2-CZ2 4.2Å; V146-W171 HydrophobicContact CG2-CZ3 3.78Å
147I92.9Very high87.1Confident54 Ų5468.3 Ų68.328%0.27736%0.357SS..EExtended strand (participates in β ladder)trans-105.5124.8175.4-58.9175.2000108.9V139 W140V139-I147 HydrophobicContact CG2-CB 4Å; V139-I147 HydrophobicContact CG2-CG2 3.66Å; V139-I147 VanDerWaalsContact CG2-O 3.29Å; V139-I147 WeakPolarHBondContact CG2-O 3.41Å; V139-I147 PolarHBondContact N-O 3.05Å; W140-I147 HydrophobicContact CB-CB 4.47Å; W140-I147 HydrophobicContact CD2-CD1 4.46Å; W140-I147 HydrophobicContact CE3-CD1 3.8Å; W140-I147 HydrophobicContact CE3-CG1 3.96Å; W140-I147 HydrophobicContact CZ3-CD1 4.36Å; W140-I147 PolarHBondContact O-N 2.9Å
148H94.2Very high86.4Confident4 Ų473.9 Ų73.92%0.01938%0.375CS..EExtended strand (participates in β ladder)trans-98.1149.9177.5-59.5-94.4000110.9P131 L133 E137 N161 S163 L176P131-H148 PolarHBondContact O-CE1 2.96Å; L133-H148 HydrophobicContact CD2-CB 3.89Å; E137-H148 CarbonylContact O-C 3.57Å; E137-H148 WeakPolarHBondContact O-CA 3.47Å; H148-N161 PolarHBondContact CD2-O 3.14Å; H148-N161 PolarHBondContact N-O 2.95Å; H148-N161 WeakPolarHBondContact O-CB 2.95Å; H148-S163 PolarHBondContact NE2-OG 3.37Å; H148-L176 HydrophobicContact CB-CD2 4.11Å
149R92.8Very high86.1Confident143 Ų14373.4 Ų73.454%0.5438%0.383SS..EExtended strand (participates in β ladder)trans-137.3144.2170.5-175.7175.165.2-165.4-1.6109S136 E137 V139S136-R149 CarbonylContact C-O 3.57Å; S136-R149 WeakPolarHBondContact CA-O 3.2Å; S136-R149 WeakPolarHBondContact CB-O 3.42Å; E137-R149 HydrophobicContact CG-CB 4.49Å; E137-R149 PolarHBondContact N-O 3.05Å; E137-R149 PolarHBondContact O-N 3.14Å; E137-R149 IonicContact OE1-CZ 3.79Å; E137-R149 IonicContact OE1-NE 3.66Å; E137-R149 PolarHBondContact OE1-NE 3.15Å; E137-R149 IonicContact OE1-NH2 2.78Å; E137-R149 PolarHBondContact OE1-NH2 3.04Å; V139-R149 HydrophobicContact CG1-CB 3.46Å; V139-R149 VanDerWaalsContact CG1-CB 3.46Å; V139-R149 HydrophobicContact CG1-CG 4.33Å; V139-R149 VanDerWaalsContact CG1-CZ 3.47Å; V139-R149 HydrophobicContact CG2-CB 4.35Å
150C92.2Very high86Confident15 Ų1573 Ų7310%0.10139%0.386CS..EExtended strand (participates in β ladder)trans-64.6139.9174.5-56.60000110.9H135 Y154 H155 C178H135-C150 WeakPolarHBondContact O-CA 3.32Å; C150-Y154 WeakPolarHBondContact CB-O 3.28Å; C150-H155 VanDerWaalsContact SG-C 3.56Å; C150-C178 WeakPolarHBondContact CA-SG 3.5Å; C150-C178 HydrophobicContact CB-CB 3.79Å; C150-C178 WeakPolarHBondContact CB-SG 3.29Å; C150-C178 WeakPolarHBondContact SG-CA 3.37Å; C150-C178 WeakPolarHBondContact SG-CB 3.25Å; C150-C178 CovalentContact SG-SG 2.04Å; C150-C178 PolarHBondContact SG-SG 3.4Å
151V91.7Very high86.2Confident43 Ų4370.9 Ų70.926%0.26138%0.384SS..PPolyproline II helixtrans-68.7164.3176.8-60.40000110.9H135 E137 G153 Y154H135-V151 PolarHBondContact O-N 3.17Å; E137-V151 HydrophobicContact CB-CG1 4.03Å; E137-V151 HydrophobicContact CG-CG1 4.2Å; V151-G153 PolarHBondContact O-N 2.81Å; V151-Y154 HydrophobicContact CG2-CD2 3.68Å; V151-Y154 HydrophobicContact CG2-CE2 4.26Å; V151-Y154 HydrophobicContact CG2-CG 4.43Å; V151-Y154 PolarHBondContact O-N 3Å
152A82.8Confident86.5Confident103 Ų10367 Ų6785%0.85137%0.372SS*.THydrogen-bonded Turntrans-53.7134.6175.300000111.3
153G76.8Confident87.1Confident40 Ų4063.2 Ų63.241%0.41235%0.351SS..THydrogen-bonded Turntrans89.4-1.2-173.400000114.6V151 I181V151-G153 PolarHBondContact O-N 2.81Å; G153-I181 PolarHBondContact O-N 2.95Å
154Y84.8Confident88Confident60 Ų6060.4 Ų60.424%0.23535%0.348CS..EExtended strand (participates in β ladder)trans-129.5146.7174.4-66.4-102.7000110.3H135 C150 V151 I179 E180H135-Y154 HydrophobicContact CB-CD1 3.53Å; H135-Y154 HydrophobicContact CB-CD2 4.08Å; H135-Y154 HydrophobicContact CB-CE1 3.68Å; H135-Y154 HydrophobicContact CB-CE2 4.21Å; H135-Y154 HydrophobicContact CB-CG 3.76Å; H135-Y154 AromaticContact CD2-CE1 3.79Å; H135-Y154 AromaticContact CE1-CE1 3.98Å; H135-Y154 AromaticContact CE1-CZ 3.81Å; H135-Y154 PolarHBondContact CE1-OH 2.8Å; H135-Y154 AromaticContact CG-CD1 3.77Å; H135-Y154 AromaticContact CG-CE1 3.37Å; H135-Y154 AromaticContact CG-CZ 3.63Å; H135-Y154 AromaticContact ND1-CE1 3.51Å; H135-Y154 AromaticContact ND1-CE2 3.85Å; H135-Y154 AromaticContact ND1-CZ 3.26Å; H135-Y154 VanDerWaalsContact ND1-CZ 3.26Å; H135-Y154 PolarHBondContact ND1-OH 2.8Å; C150-Y154 WeakPolarHBondContact CB-O 3.28Å; V151-Y154 HydrophobicContact CG2-CD2 3.68Å; V151-Y154 HydrophobicContact CG2-CE2 4.26Å; V151-Y154 HydrophobicContact CG2-CG 4.43Å; V151-Y154 PolarHBondContact O-N 3Å; Y154-I179 CarbonylContact C-O 3.42Å; Y154-I179 VanDerWaalsContact CA-O 3.27Å; Y154-I179 WeakPolarHBondContact CA-O 3.47Å; Y154-I179 VanDerWaalsContact CD1-C 3.48Å; Y154-E180 HydrophobicContact CD1-CB 4.15Å; Y154-E180 VanDerWaalsContact CD1-N 3.34Å; Y154-E180 HydrophobicContact CE1-CB 3.81Å; Y154-E180 HydrophobicContact CE1-CG 4.36Å
155H82.2Confident88.4Confident56 Ų5659.4 Ų59.426%0.25934%0.34SS..EExtended strand (participates in β ladder)trans-121.6157.1173.680.5-77.8000111.6C150 W157 I179 I181 F203C150-H155 VanDerWaalsContact SG-C 3.56Å; H155-W157 PolarHBondContact O-N 2.86Å; H155-I179 WeakPolarHBondContact CE1-CD1 3.3Å; H155-I179 WeakPolarHBondContact CE1-CG1 3.31Å; H155-I179 PolarHBondContact N-O 2.79Å; H155-I179 PolarHBondContact ND1-O 2.82Å; H155-I179 PolarHBondContact O-N 2.94Å; H155-I181 HydrophobicContact CB-CD1 4.07Å; H155-I181 HydrophobicContact CB-CG1 3.93Å; H155-F203 AromaticContact CE1-CE2 3.22Å; H155-F203 WeakPolarHBondContact CE1-CE2 3.35Å; H155-F203 AromaticContact CE1-CZ 3.4Å; H155-F203 VanDerWaalsContact CE1-CZ 3.4Å; H155-F203 WeakPolarHBondContact CE1-CZ 3.33Å; H155-F203 AromaticContact NE2-CE2 3.92Å
156S84.6Confident88.1Confident80 Ų8060.3 Ų60.356%0.55935%0.349SS*.EExtended strand (participates in β ladder)trans-72.5125.1-178.156.20000111.5
157W81.4Confident87.3Confident104 Ų10463.1 Ų63.139%0.39438%0.378SS..EExtended strand (participates in β ladder)trans-125102.2178-179.7-102.9000111.4H155 N177 I179H155-W157 PolarHBondContact O-N 2.86Å; W157-N177 WeakPolarHBondContact CA-O 3.32Å; W157-N177 WeakPolarHBondContact CB-O 3.13Å; W157-N177 PolarHBondContact N-O 2.83Å; W157-N177 VanDerWaalsContact O-CB 3.27Å; W157-N177 WeakPolarHBondContact O-CB 3.11Å; W157-I179 HydrophobicContact CB-CD1 3.56Å; W157-I179 HydrophobicContact CB-CG1 3.89Å; W157-I179 HydrophobicContact CB-CG2 4.11Å; W157-I179 HydrophobicContact CD2-CD1 3.87Å; W157-I179 HydrophobicContact CE3-CD1 4.05Å; W157-I179 HydrophobicContact CG-CD1 3.66Å; W157-I179 HydrophobicContact CG-CG1 4.5Å; W157-I179 HydrophobicContact CG-CG2 4.48Å
158R81.4Confident86.7Confident197 Ų19764.7 Ų64.774%0.74339%0.393SS*.SBendtrans55.7170.7179-59.8-177.7174.9-1031.2113.6
159G87.5Confident85.9Confident54 Ų5465.2 Ų65.256%0.55740%0.4SS*.SBendtrans80.1173.5178.900000114.4T175G159-T175 WeakPolarHBondContact CA-OG1 3.26Å
160A91.9Very high85.6Confident53 Ų5364.3 Ų64.344%0.43841%0.405SS..  trans-95.2138.6178.800000110.2A174 T175 L176A160-A174 WeakPolarHBondContact O-CB 3.5Å; A160-T175 PolarHBondContact N-OG1 2.86Å; A160-T175 PolarHBondContact O-N 2.87Å; A160-L176 WeakPolarHBondContact O-CB 3.29Å; A160-L176 PolarHBondContact O-N 2.87Å
161N93.8Very high85.4Confident79 Ų7965.4 Ų65.442%0.42241%0.407SS..  trans-89.80.2-178.869.8-23.1000114H148 L176H148-N161 PolarHBondContact CD2-O 3.14Å; H148-N161 PolarHBondContact N-O 2.95Å; H148-N161 WeakPolarHBondContact O-CB 2.95Å; N161-L176 HydrophobicContact CB-CB 4.39Å; N161-L176 HydrophobicContact CB-CD2 3.97Å
162A93.8Very high85.4Confident34 Ų3469.4 Ų69.428%0.28143%0.426SS..EExtended strand (participates in β ladder)trans-106.7130.6-178.200000111.5V145 V146V145-A162 HydrophobicContact CG1-CB 4.48Å; V146-A162 CarbonylContact O-C 3.56Å; V146-A162 VanDerWaalsContact O-CA 3.28Å; V146-A162 WeakPolarHBondContact O-CA 3.23Å
163S93.2Very high85.7Confident1 Ų173.1 Ų73.11%0.00742%0.418CS..EExtended strand (participates in β ladder)trans-98.3133.4165.7-60.90000109.1V145 V146 H148 L172 A174V145-S163 WeakPolarHBondContact CA-O 2.96Å; V146-S163 PolarHBondContact N-O 3.38Å; V146-S163 PolarHBondContact O-N 3.19Å; H148-S163 PolarHBondContact NE2-OG 3.37Å; S163-L172 CarbonylContact C-O 3.27Å; S163-L172 WeakPolarHBondContact CA-O 3.47Å; S163-A174 WeakPolarHBondContact OG-CB 3.35Å; S163-A174 PolarHBondContact OG-N 3.22Å
164V91.2Very high86.4Confident63 Ų6371.6 Ų71.638%0.38240%0.402SS..EExtended strand (participates in β ladder)trans-124.2126.4-173.9-176.40000110.7S144 V145 S166 L172S144-V164 CarbonylContact O-C 3.53Å; V145-V164 HydrophobicContact CG2-CG1 4.34Å; V145-V164 HydrophobicContact CG2-CG2 4.38Å; V164-S166 PolarHBondContact O-N 2.89Å; V164-L172 PolarHBondContact N-O 3.14Å; V164-L172 VanDerWaalsContact O-CB 3.27Å; V164-L172 WeakPolarHBondContact O-CB 3.27Å; V164-L172 PolarHBondContact O-N 3.35Å
165C88.1Confident86.8Confident23 Ų2373.4 Ų73.416%0.15542%0.42CS..EExtended strand (participates in β ladder)trans-73.7118.4175.71760000109.6C127 S144 W171C127-C165 HydrophobicContact CB-CB 3.9Å; C127-C165 WeakPolarHBondContact CB-SG 3.34Å; C127-C165 WeakPolarHBondContact SG-CA 3.06Å; C127-C165 WeakPolarHBondContact SG-CB 3.23Å; C127-C165 CovalentContact SG-SG 2.02Å; C127-C165 PolarHBondContact SG-SG 2.81Å; S144-C165 WeakPolarHBondContact O-CB 3.49Å; S144-C165 PolarHBondContact O-N 3.31Å; C165-W171 HydrophobicContact CB-CD2 4.35Å; C165-W171 HydrophobicContact CB-CE3 3.98Å; C165-W171 HydrophobicContact CB-CH2 4Å; C165-W171 HydrophobicContact CB-CZ2 4.39Å; C165-W171 HydrophobicContact CB-CZ3 3.8Å
166S80.3Confident87.3Confident60 Ų6071.3 Ų71.342%0.4241%0.41SS..  trans-79.4160.4178.5-174.60000111.8V164 S168 G169 L170V164-S166 PolarHBondContact O-N 2.89Å; S166-S168 PolarHBondContact O-N 3.08Å; S166-G169 PolarHBondContact O-N 3.49Å; S166-L170 WeakPolarHBondContact CB-O 3.44Å; S166-L170 PolarHBondContact N-O 2.59Å
167G76.4Confident87.5Confident60 Ų6071.6 Ų71.662%0.61941%0.405SS*.THydrogen-bonded Turntrans-57.2-16.5173.700000114.5K126K126-G167 WeakPolarHBondContact CE-O 3.49Å; K126-G167 PolarHBondContact NZ-O 2.78Å
168S79.4Confident87.9Confident86 Ų8667 Ų6760%0.60139%0.389SS*.THydrogen-bonded Turntrans-83.8-5.6174.957.10000115.1S166S166-S168 PolarHBondContact O-N 3.08Å
169G78.8Confident87.9Confident16 Ų1659.1 Ų59.117%0.16536%0.362CS..SBendtrans8116.7-174.400000114.4K126 C127 S166K126-G169 WeakPolarHBondContact O-CA 3.3Å; C127-G169 WeakPolarHBondContact CA-O 3.46Å; S166-G169 PolarHBondContact O-N 3.49Å
170L84.8Confident87.3Confident123 Ų12361.9 Ų61.964%0.64436%0.36SS*.  trans-109.6137.2174-66172.7000110.9S166 L172S166-L170 WeakPolarHBondContact CB-O 3.44Å; S166-L170 PolarHBondContact N-O 2.59Å; L170-L172 PolarHBondContact O-N 3.26Å
171W88.8Confident86.2Confident38 Ų3863.7 Ų63.714%0.14436%0.361CS..EExtended strand (participates in β ladder)trans-74121.3171.6-75.3108.8000111.1C127 G128 P129 P131 R143 S144 V146 C165 R173C127-W171 HydrophobicContact CB-CD2 4.16Å; C127-W171 HydrophobicContact CB-CG 4.28Å; C127-W171 HydrophobicContact CB-CZ2 4.04Å; G128-W171 PolarHBondContact O-NE1 3.47Å; P129-W171 PolarHBondContact O-NE1 2.88Å; P131-W171 HydrophobicContact CG-CB 3.42Å; P131-W171 VanDerWaalsContact CG-CB 3.42Å; P131-W171 HydrophobicContact CG-CD2 4.04Å; P131-W171 HydrophobicContact CG-CG 3.52Å; R143-W171 WeakPolarHBondContact O-CH2 3.42Å; R143-W171 WeakPolarHBondContact O-CZ2 3.43Å; S144-W171 WeakPolarHBondContact O-CZ3 3.17Å; V146-W171 HydrophobicContact CG2-CH2 3.51Å; V146-W171 HydrophobicContact CG2-CZ2 4.2Å; V146-W171 HydrophobicContact CG2-CZ3 3.78Å; C165-W171 HydrophobicContact CB-CD2 4.35Å; C165-W171 HydrophobicContact CB-CE3 3.98Å; C165-W171 HydrophobicContact CB-CH2 4Å; C165-W171 HydrophobicContact CB-CZ2 4.39Å; C165-W171 HydrophobicContact CB-CZ3 3.8Å; W171-R173 PolarHBondContact O-N 2.91Å
172L91.2Very high84.8Confident127 Ų12764.6 Ų64.667%0.66536%0.361SS*.EExtended strand (participates in β ladder)trans-73.3104.9158.7-164.783.6000107.6S163 V164 L170S163-L172 CarbonylContact C-O 3.27Å; S163-L172 WeakPolarHBondContact CA-O 3.47Å; V164-L172 PolarHBondContact N-O 3.14Å; V164-L172 VanDerWaalsContact O-CB 3.27Å; V164-L172 WeakPolarHBondContact O-CB 3.27Å; V164-L172 PolarHBondContact O-N 3.35Å; L170-L172 PolarHBondContact O-N 3.26Å
173R89.9Confident83.5Confident181 Ų18165.4 Ų65.468%0.68336%0.364SS*.  trans-71.2141.4-173.4-62.2-172.3177.1176.9-2111.9P131 W171P131-R173 HydrophobicContact CB-CG 3.84Å; P131-R173 HydrophobicContact CG-CG 4.01Å; W171-R173 PolarHBondContact O-N 2.91Å
174A92.1Very high82.5Confident9 Ų966 Ų667%0.07437%0.368CS..  trans-55.3142.3166.800000111L133 A160 S163L133-A174 HydrophobicContact CD2-CB 4.31Å; A160-A174 WeakPolarHBondContact O-CB 3.5Å; S163-A174 WeakPolarHBondContact OG-CB 3.35Å; S163-A174 PolarHBondContact OG-N 3.22Å
175T92.4Very high82.1Confident98 Ų9863.4 Ų63.460%0.60135%0.352SS*.  trans-103.37.2178.154.60000112.9G159 A160 N177G159-T175 WeakPolarHBondContact CA-OG1 3.26Å; A160-T175 PolarHBondContact N-OG1 2.86Å; A160-T175 PolarHBondContact O-N 2.87Å; T175-N177 PolarHBondContact O-N 2.89Å
176L92.2Very high81.9Confident12 Ų1265.1 Ų65.16%0.06336%0.359CS..  trans-54.8121.9176.8170.470.4000110.8L133 H148 A160 N161L133-L176 HydrophobicContact CD2-CB 3.89Å; L133-L176 HydrophobicContact CD2-CD2 4.01Å; L133-L176 HydrophobicContact CD2-CG 4.2Å; H148-L176 HydrophobicContact CB-CD2 4.11Å; A160-L176 WeakPolarHBondContact O-CB 3.29Å; A160-L176 PolarHBondContact O-N 2.87Å; N161-L176 HydrophobicContact CB-CB 4.39Å; N161-L176 HydrophobicContact CB-CD2 3.97Å
177N89.5Confident82.1Confident85 Ų8568.3 Ų68.346%0.45537%0.368SS..EExtended strand (participates in β ladder)trans-99.7122.2172.2-168.716.9000109.4W157 T175W157-N177 WeakPolarHBondContact CA-O 3.32Å; W157-N177 WeakPolarHBondContact CB-O 3.13Å; W157-N177 PolarHBondContact N-O 2.83Å; W157-N177 VanDerWaalsContact O-CB 3.27Å; W157-N177 WeakPolarHBondContact O-CB 3.11Å; T175-N177 PolarHBondContact O-N 2.89Å
178C88.8Confident82.7Confident7 Ų767 Ų675%0.04735%0.347CS..EExtended strand (participates in β ladder)trans-101.1113.7178.3-70.50000109.1H135 C150H135-C178 HydrophobicContact CB-CB 3.94Å; H135-C178 WeakPolarHBondContact O-CB 3.38Å; C150-C178 WeakPolarHBondContact CA-SG 3.5Å; C150-C178 HydrophobicContact CB-CB 3.79Å; C150-C178 WeakPolarHBondContact CB-SG 3.29Å; C150-C178 WeakPolarHBondContact SG-CA 3.37Å; C150-C178 WeakPolarHBondContact SG-CB 3.25Å; C150-C178 CovalentContact SG-SG 2.04Å; C150-C178 PolarHBondContact SG-SG 3.4Å
179I82.1Confident83.2Confident33 Ų3366.2 Ų66.217%0.16934%0.338CS..EExtended strand (participates in β ladder)trans-110.5141.9-177.666.3-176.6000110.8Y154 H155 W157 I181 F203Y154-I179 CarbonylContact C-O 3.42Å; Y154-I179 VanDerWaalsContact CA-O 3.27Å; Y154-I179 WeakPolarHBondContact CA-O 3.47Å; Y154-I179 VanDerWaalsContact CD1-C 3.48Å; H155-I179 WeakPolarHBondContact CE1-CD1 3.3Å; H155-I179 WeakPolarHBondContact CE1-CG1 3.31Å; H155-I179 PolarHBondContact N-O 2.79Å; H155-I179 PolarHBondContact ND1-O 2.82Å; H155-I179 PolarHBondContact O-N 2.94Å; W157-I179 HydrophobicContact CB-CD1 3.56Å; W157-I179 HydrophobicContact CB-CG1 3.89Å; W157-I179 HydrophobicContact CB-CG2 4.11Å; W157-I179 HydrophobicContact CD2-CD1 3.87Å; W157-I179 HydrophobicContact CE3-CD1 4.05Å; W157-I179 HydrophobicContact CG-CD1 3.66Å; W157-I179 HydrophobicContact CG-CG1 4.5Å; W157-I179 HydrophobicContact CG-CG2 4.48Å; I179-I181 PolarHBondContact O-N 3.17Å; I179-F203 HydrophobicContact CD1-CD1 3.94Å; I179-F203 HydrophobicContact CD1-CE1 3.2Å; I179-F203 HydrophobicContact CD1-CE2 4.29Å; I179-F203 HydrophobicContact CD1-CZ 3.43Å; I179-F203 VanDerWaalsContact CD1-CZ 3.43Å; I179-F203 HydrophobicContact CG1-CE1 4.16Å; I179-F203 HydrophobicContact CG1-CZ 3.95Å
180E74.9Confident83.5Confident111 Ų11168.2 Ų68.252%0.51934%0.344SS..EExtended strand (participates in β ladder)trans-59.4130.9-175.7-168.2-179.1-174.500110.6Y154 K182Y154-E180 HydrophobicContact CD1-CB 4.15Å; Y154-E180 VanDerWaalsContact CD1-N 3.34Å; Y154-E180 HydrophobicContact CE1-CB 3.81Å; Y154-E180 HydrophobicContact CE1-CG 4.36Å; E180-K182 VanDerWaalsContact C-N 3.34Å; E180-K182 PolarHBondContact O-N 2.97Å
181I68.4Low83.4Confident91 Ų9169.3 Ų69.347%0.46734%0.341SS..  trans-77.191.9172.4-58.5170.8000106.6G153 H155 I179G153-I181 PolarHBondContact O-N 2.95Å; H155-I181 HydrophobicContact CB-CD1 4.07Å; H155-I181 HydrophobicContact CB-CG1 3.93Å; I179-I181 PolarHBondContact O-N 3.17Å
182K63.9Low82.8Confident99 Ų9973.7 Ų73.743%0.4337%0.367SS..  trans-69.7140.1172.7-61.3-167.4174.7-169.40110E180 E201E180-K182 VanDerWaalsContact C-N 3.34Å; E180-K182 PolarHBondContact O-N 2.97Å; K182-E201 HydrophobicContact CB-CB 3.62Å; K182-E201 HydrophobicContact CB-CG 4.38Å; K182-E201 HydrophobicContact CD-CB 4.03Å; K182-E201 VanDerWaalsContact CD-CD 3.44Å; K182-E201 HydrophobicContact CD-CG 4.15Å; K182-E201 WeakPolarHBondContact CD-OE1 3.25Å; K182-E201 IonicContact NZ-OE1 3.41Å; K182-E201 PolarHBondContact NZ-OE1 3.23Å
183P66.9Low81.8Confident51 Ų5169.9 Ų69.933%0.33136%0.359SS..  trans-60.8129.2-18022.8-30.7000109.9V185 N186 F262P183-V185 PolarHBondContact O-N 2.9Å; P183-N186 HydrophobicContact CG-CB 4.35Å; P183-F262 HydrophobicContact CB-CZ 4.27Å
184P73.3Confident81.4Confident13 Ų1364.3 Ų64.38%0.08434%0.343CS..SBendtrans-61.1-16.6-177.9-23.231.7000114.3A200 Y210 A257 A260 F262P184-A200 WeakPolarHBondContact O-CA 3.49Å; P184-Y210 PolarHBondContact O-OH 2.82Å; P184-A257 HydrophobicContact CB-CB 3.63Å; P184-A257 HydrophobicContact CG-CB 4.28Å; P184-A260 HydrophobicContact CB-CB 3.87Å; P184-A260 HydrophobicContact CG-CB 3.17Å; P184-F262 HydrophobicContact CG-CB 3.79Å; P184-F262 HydrophobicContact CG-CD1 4.39Å; P184-F262 HydrophobicContact CG-CG 4.19Å
185V82.6Confident81.3Confident8 Ų864.3 Ų64.35%0.04834%0.342CS..SBendtrans-133.9109.9176.6179.90000107.8P183 L188 W198 Y210 I255 F262 A264P183-V185 PolarHBondContact O-N 2.9Å; V185-L188 HydrophobicContact CG1-CB 4.4Å; V185-W198 HydrophobicContact CG1-CB 3.93Å; V185-W198 HydrophobicContact CG1-CG 3.91Å; V185-Y210 HydrophobicContact CG2-CD1 4.07Å; V185-Y210 HydrophobicContact CG2-CE1 3.63Å; V185-I255 HydrophobicContact CG2-CG2 4.08Å; V185-F262 HydrophobicContact CB-CD1 4.35Å; V185-F262 HydrophobicContact CB-CE1 4.14Å; V185-F262 HydrophobicContact CG2-CD1 4.5Å; V185-A264 HydrophobicContact CB-CB 4.33Å; V185-A264 HydrophobicContact CG1-CB 4.06Å
186N83.2Confident81.2Confident59 Ų5959.7 Ų59.732%0.31631%0.314SS..EExtended strand (participates in β ladder)trans-123.2158.8178.1-161.1-6.2000109.8P183 L188 K199 E201P183-N186 HydrophobicContact CG-CB 4.35Å; N186-L188 VanDerWaalsContact C-N 3.27Å; N186-L188 PolarHBondContact O-N 3.04Å; N186-K199 PolarHBondContact N-O 2.86Å; N186-K199 PolarHBondContact O-N 3.23Å; N186-K199 VanDerWaalsContact O-O 3.14Å; N186-E201 PolarHBondContact ND2-OE2 2.87Å
187Q84.8Confident81.2Confident127 Ų12763.1 Ų63.159%0.59333%0.328SS*.EExtended strand (participates in β ladder)trans52.241.2178.2-56.6-179.2-6.300113.9T189 K199Q187-T189 PolarHBondContact O-N 3.38Å; Q187-K199 HydrophobicContact CB-CB 4.44Å
188L89.8Confident81.4Confident34 Ų3459.2 Ų59.218%0.17831%0.307CS..EExtended strand (participates in β ladder)trans-66.6118.1178.6179.157.7000110.3V185 N186 L196 K197 W198 I255 A264 I266V185-L188 HydrophobicContact CG1-CB 4.4Å; N186-L188 VanDerWaalsContact C-N 3.27Å; N186-L188 PolarHBondContact O-N 3.04Å; L188-L196 HydrophobicContact CD1-CD2 3.83Å; L188-K197 WeakPolarHBondContact CA-O 3.49Å; L188-W198 HydrophobicContact CD1-CB 4.07Å; L188-I255 HydrophobicContact CD1-CD1 3.41Å; L188-I255 VanDerWaalsContact CD1-CD1 3.41Å; L188-I255 HydrophobicContact CD2-CD1 4.1Å; L188-I255 HydrophobicContact CG-CD1 4.41Å; L188-A264 HydrophobicContact CD2-CB 4.11Å; L188-I266 HydrophobicContact CD2-CB 3.93Å; L188-I266 HydrophobicContact CD2-CG2 3.87Å; L188-I266 HydrophobicContact CG-CB 4.3Å; L188-I266 HydrophobicContact CG-CD1 4.35Å; L188-I266 HydrophobicContact CG-CG2 4.2Å
189T88.9Confident81.4Confident69 Ų6962 Ų6242%0.42332%0.318SS..EExtended strand (participates in β ladder)trans-137.9154.3-177.252.20000111.4Q187 K197Q187-T189 PolarHBondContact O-N 3.38Å; T189-K197 PolarHBondContact N-O 2.89Å; T189-K197 PolarHBondContact O-N 3.02Å; T189-K197 PolarHBondContact OG1-O 2.73Å
190L86.2Confident81.5Confident57 Ų5760.6 Ų60.630%0.29831%0.312SS..EExtended strand (participates in β ladder)trans-100.1115.5173-139.1113.8000109.3G193 C195 L196 I253 A268L190-G193 VanDerWaalsContact CD2-C 3.48Å; L190-C195 CarbonylContact C-O 3.55Å; L190-L196 HydrophobicContact CD1-CD2 4.14Å; L190-L196 HydrophobicContact CD1-CG 4.47Å; L190-I253 HydrophobicContact CD1-CD1 3.71Å; L190-A268 HydrophobicContact CD1-CB 3.62Å; L190-A268 HydrophobicContact CD2-CB 4.15Å
191Y81Confident81.4Confident147 Ų14757.3 Ų57.358%0.57630%0.297SS*.EExtended strand (participates in β ladder)trans-102.9136.8178.8180-103.7000110.2G193 N194 C195Y191-G193 PolarHBondContact O-N 3.11Å; Y191-G193 VanDerWaalsContact O-N 3.1Å; Y191-N194 PolarHBondContact O-N 2.87Å; Y191-C195 HydrophobicContact CD1-CB 4.45Å; Y191-C195 PolarHBondContact N-O 3.24Å; Y191-C195 WeakPolarHBondContact O-CA 3.37Å; Y191-C195 WeakPolarHBondContact O-CB 3.43Å; Y191-C195 PolarHBondContact O-N 2.97Å
192N76.4Confident81.3Confident129 Ų12955.5 Ų55.569%0.6929%0.285SS*.THydrogen-bonded Turntrans55.626.4176.2-152.926.3000115.3N194N192-N194 PolarHBondContact O-N 2.73Å; N192-N194 VanDerWaalsContact O-N 3.1Å; N192-N194 PolarHBondContact O-OD1 2.84Å
193G70.4Confident81.2Confident48 Ų4854.5 Ų54.550%0.49528%0.281SS..THydrogen-bonded Turntrans74.2-8.117600000116.3L190 Y191L190-G193 VanDerWaalsContact CD2-C 3.48Å; Y191-G193 PolarHBondContact O-N 3.11Å; Y191-G193 VanDerWaalsContact O-N 3.1Å
194N81.8Confident80.7Confident63 Ų6362 Ų6234%0.33731%0.311SS..THydrogen-bonded Turntrans-147.6-4.3-178.666.51.5000115.5Y191 N192 L243Y191-N194 PolarHBondContact O-N 2.87Å; N192-N194 PolarHBondContact O-N 2.73Å; N192-N194 VanDerWaalsContact O-N 3.1Å; N192-N194 PolarHBondContact O-OD1 2.84Å; N194-L243 PolarHBondContact O-N 2.84Å
195C88.9Confident80.1Confident10 Ų1069.6 Ų69.67%0.06835%0.346CS..EExtended strand (participates in β ladder)trans-108.9125-179.9-56.50000111.6L190 Y191 I240 I241 C242L190-C195 CarbonylContact C-O 3.55Å; Y191-C195 HydrophobicContact CD1-CB 4.45Å; Y191-C195 PolarHBondContact N-O 3.24Å; Y191-C195 WeakPolarHBondContact O-CA 3.37Å; Y191-C195 WeakPolarHBondContact O-CB 3.43Å; Y191-C195 PolarHBondContact O-N 2.97Å; C195-I240 HydrophobicContact CB-CG2 4.24Å; C195-I241 CarbonylContact C-O 3.44Å; C195-I241 WeakPolarHBondContact CA-O 3.44Å; C195-C242 HydrophobicContact CB-CB 4.08Å; C195-C242 WeakPolarHBondContact CB-SG 3.47Å; C195-C242 WeakPolarHBondContact SG-CB 3.47Å; C195-C242 CovalentContact SG-SG 2.05Å; C195-C242 PolarHBondContact SG-SG 3.12Å
196L91.8Very high79.3Confident1 Ų174.2 Ų74.21%0.00537%0.371CS..EExtended strand (participates in β ladder)trans-84132.7172.4-71.2138.6000109.5L188 L190 W198 V212 I240 I241 L243 I253 I255 I266L188-L196 HydrophobicContact CD1-CD2 3.83Å; L190-L196 HydrophobicContact CD1-CD2 4.14Å; L190-L196 HydrophobicContact CD1-CG 4.47Å; L196-W198 HydrophobicContact CB-CE3 4.4Å; L196-W198 HydrophobicContact CB-CZ3 4.24Å; L196-V212 HydrophobicContact CD1-CG1 3.98Å; L196-I240 CarbonylContact O-C 3.58Å; L196-I240 VanDerWaalsContact O-CA 3.26Å; L196-I240 WeakPolarHBondContact O-CA 2.89Å; L196-I241 HydrophobicContact CB-CG2 4.09Å; L196-I241 HydrophobicContact CD1-CG2 4.26Å; L196-I241 PolarHBondContact N-O 2.62Å; L196-I241 PolarHBondContact O-N 3.08Å; L196-L243 HydrophobicContact CD1-CD1 3.4Å; L196-L243 HydrophobicContact CD1-CD2 4.31Å; L196-L243 HydrophobicContact CD1-CG 3.75Å; L196-I253 HydrophobicContact CD1-CD1 4.33Å; L196-I253 HydrophobicContact CD1-CG2 3.59Å; L196-I253 HydrophobicContact CD2-CD1 4.25Å; L196-I253 HydrophobicContact CD2-CG2 3.93Å; L196-I253 HydrophobicContact CG-CG2 4.38Å; L196-I255 HydrophobicContact CD2-CD1 4.32Å; L196-I266 HydrophobicContact CD2-CG2 3.69Å
197K92.4Very high78.9Confident83 Ų8375.2 Ų75.236%0.36138%0.379SS..EExtended strand (participates in β ladder)trans-124.7131.2175.4-179.5177.7179.7-176.60109.1L188 T189 L239 I240L188-K197 WeakPolarHBondContact CA-O 3.49Å; T189-K197 PolarHBondContact N-O 2.89Å; T189-K197 PolarHBondContact O-N 3.02Å; T189-K197 PolarHBondContact OG1-O 2.73Å; K197-L239 WeakPolarHBondContact CA-O 3.34Å; K197-I240 HydrophobicContact CB-CG1 4.32Å; K197-I240 HydrophobicContact CG-CG1 4.07Å
198W92.3Very high78.8Confident4 Ų469.9 Ų69.92%0.01535%0.354CS..EExtended strand (participates in β ladder)trans-145.5159.2173.868.7101.7000111.4V185 L188 L196 Y210 L232 L239 I241 I255V185-W198 HydrophobicContact CG1-CB 3.93Å; V185-W198 HydrophobicContact CG1-CG 3.91Å; L188-W198 HydrophobicContact CD1-CB 4.07Å; L196-W198 HydrophobicContact CB-CE3 4.4Å; L196-W198 HydrophobicContact CB-CZ3 4.24Å; W198-Y210 HydrophobicContact CZ2-CD1 4.29Å; W198-Y210 HydrophobicContact CZ2-CD2 4.14Å; W198-Y210 AromaticContact CZ2-CG 3.92Å; W198-Y210 HydrophobicContact CZ2-CG 3.92Å; W198-Y210 AromaticContact NE1-CE1 3.75Å; W198-Y210 AromaticContact NE1-CZ 3.85Å; W198-L232 HydrophobicContact CH2-CD2 3.65Å; W198-L232 HydrophobicContact CZ2-CD2 4.13Å; W198-L239 HydrophobicContact CD2-CB 3.96Å; W198-L239 HydrophobicContact CE3-CB 4.24Å; W198-L239 HydrophobicContact CH2-CB 3.88Å; W198-L239 HydrophobicContact CZ2-CB 3.55Å; W198-L239 HydrophobicContact CZ2-CD2 3.89Å; W198-L239 HydrophobicContact CZ2-CG 4.2Å; W198-L239 HydrophobicContact CZ3-CB 4.18Å; W198-L239 PolarHBondContact N-O 2.87Å; W198-L239 VanDerWaalsContact N-O 3.1Å; W198-L239 PolarHBondContact O-N 3.08Å; W198-I241 HydrophobicContact CH2-CB 4.47Å; W198-I241 HydrophobicContact CH2-CG2 3.96Å; W198-I241 HydrophobicContact CZ3-CB 4.41Å; W198-I241 HydrophobicContact CZ3-CG2 3.73Å; W198-I255 HydrophobicContact CD2-CD1 4.22Å; W198-I255 HydrophobicContact CE3-CD1 3.95Å; W198-I255 HydrophobicContact CZ3-CD1 4.17Å
199K88.6Confident78.7Confident65 Ų6571 Ų7128%0.28336%0.36SS..EExtended strand (participates in β ladder)trans-98.5124.3169.4-167.5-178.1-179.8-167.80108.6N186 Q187 D237N186-K199 PolarHBondContact N-O 2.86Å; N186-K199 PolarHBondContact O-N 3.23Å; N186-K199 VanDerWaalsContact O-O 3.14Å; Q187-K199 HydrophobicContact CB-CB 4.44Å; K199-D237 CarbonylContact C-O 3.5Å; K199-D237 VanDerWaalsContact CA-O 3.24Å; K199-D237 WeakPolarHBondContact CA-O 3.49Å
200A84.3Confident78.8Confident4 Ų467.7 Ų67.73%0.03334%0.34CS..  trans-90.1127.8169.200000109.8P184 K202 Y210 D237 L239P184-A200 WeakPolarHBondContact O-CA 3.49Å; A200-K202 HydrophobicContact CB-CD 4.49Å; A200-K202 HydrophobicContact CB-CG 4.32Å; A200-Y210 WeakPolarHBondContact CB-OH 3.49Å; A200-D237 PolarHBondContact N-O 3.19Å; A200-L239 HydrophobicContact CB-CD1 3.54Å
201E74Confident79.1Confident42 Ų4269.6 Ų69.620%0.19635%0.346CS..  trans-101.9115.5167.3-73.9-178.6125.100108.1K182 N186K182-E201 HydrophobicContact CB-CB 3.62Å; K182-E201 HydrophobicContact CB-CG 4.38Å; K182-E201 HydrophobicContact CD-CB 4.03Å; K182-E201 VanDerWaalsContact CD-CD 3.44Å; K182-E201 HydrophobicContact CD-CG 4.15Å; K182-E201 WeakPolarHBondContact CD-OE1 3.25Å; K182-E201 IonicContact NZ-OE1 3.41Å; K182-E201 PolarHBondContact NZ-OE1 3.23Å; N186-E201 PolarHBondContact ND2-OE2 2.87Å
202K65.6Low79.8Confident53 Ų5362.6 Ų62.623%0.2332%0.318CS..  trans-140.3160.8-175.9-59.3-179.2-169.1168.10110.5A200 E208 Y210 S234A200-K202 HydrophobicContact CB-CD 4.49Å; A200-K202 HydrophobicContact CB-CG 4.32Å; K202-E208 HydrophobicContact CD-CB 3.98Å; K202-Y210 WeakPolarHBondContact CE-OH 3.04Å; K202-S234 PolarHBondContact NZ-O 2.77Å
203F61.6Low80.6Confident77 Ų7758.3 Ų58.334%0.33830%0.296SS..  trans-79.2144.6167.9-62-72.2000110H155 I179 E205 D206H155-F203 AromaticContact CE1-CE2 3.22Å; H155-F203 WeakPolarHBondContact CE1-CE2 3.35Å; H155-F203 AromaticContact CE1-CZ 3.4Å; H155-F203 VanDerWaalsContact CE1-CZ 3.4Å; H155-F203 WeakPolarHBondContact CE1-CZ 3.33Å; H155-F203 AromaticContact NE2-CE2 3.92Å; I179-F203 HydrophobicContact CD1-CD1 3.94Å; I179-F203 HydrophobicContact CD1-CE1 3.2Å; I179-F203 HydrophobicContact CD1-CE2 4.29Å; I179-F203 HydrophobicContact CD1-CZ 3.43Å; I179-F203 VanDerWaalsContact CD1-CZ 3.43Å; I179-F203 HydrophobicContact CG1-CE1 4.16Å; I179-F203 HydrophobicContact CG1-CZ 3.95Å; F203-E205 PolarHBondContact O-N 2.99Å; F203-D206 PolarHBondContact O-N 2.02Å
204E56.6Low81.7Confident208 Ų20856.8 Ų56.897%0.97228%0.276SS*.THydrogen-bonded Turntrans-60.93.1-155.7-88177.8148.700117.6
205E60.8Low82.3Confident173 Ų17357.5 Ų57.581%0.80828%0.279SS*.THydrogen-bonded Turntrans-130.6-6.3-177.8-62.6-173.6162.300114.9F203F203-E205 PolarHBondContact O-N 2.99Å
206D65.1Low82.3Confident106 Ų10657 Ų5757%0.56728%0.276SS*.  trans-89.2121-171.7-70.4-31.1000113.2F203 E208F203-D206 PolarHBondContact O-N 2.02Å; D206-E208 PolarHBondContact O-N 2.99Å
207T74.9Confident82Confident80 Ų8059.7 Ų59.749%0.49130%0.295SS..  trans-72.6123.6163.851.60000109.4K235T207-K235 HydrophobicContact CG2-CD 4.13Å; T207-K235 VanDerWaalsContact CG2-CE 3.44Å; T207-K235 HydrophobicContact CG2-CG 3.55Å
208E83.1Confident81.5Confident14 Ų1457.6 Ų57.67%0.06529%0.285CS..EExtended strand (participates in β ladder)trans-106.4141.6173.6-175.758.8-92.800109.5K202 D206 Y210 S233 S234 A257 V258 A259 A260K202-E208 HydrophobicContact CD-CB 3.98Å; D206-E208 PolarHBondContact O-N 2.99Å; E208-Y210 HydrophobicContact CB-CD2 4.49Å; E208-Y210 HydrophobicContact CB-CE2 3.83Å; E208-Y210 HydrophobicContact CG-CD1 4.36Å; E208-Y210 HydrophobicContact CG-CD2 4.32Å; E208-Y210 HydrophobicContact CG-CE1 3.84Å; E208-Y210 HydrophobicContact CG-CE2 3.81Å; E208-S233 WeakPolarHBondContact O-CA 3.24Å; E208-S234 PolarHBondContact N-O 3.13Å; E208-S234 PolarHBondContact O-N 3.5Å; E208-A257 HydrophobicContact CG-CB 4.01Å; E208-V258 PolarHBondContact OE1-N 2.79Å; E208-A259 VanDerWaalsContact OE1-CB 3.25Å; E208-A259 WeakPolarHBondContact OE1-CB 3.41Å; E208-A259 PolarHBondContact OE1-N 3.17Å; E208-A259 WeakPolarHBondContact OE2-CB 3.37Å; E208-A260 WeakPolarHBondContact OE2-CB 3.26Å; E208-A260 PolarHBondContact OE2-N 2.91Å; E208-A260 VanDerWaalsContact OE2-N 3.12Å
209L88.4Confident80.5Confident58 Ų5863.4 Ų63.430%0.30432%0.316SS..EExtended strand (participates in β ladder)trans-100.9113.4177.7-178.563.5000108.8Q231 V258L209-Q231 HydrophobicContact CD1-CG 3.68Å; L209-Q231 VanDerWaalsContact CD1-NE2 3.28Å; L209-Q231 HydrophobicContact CG-CG 4.29Å; L209-V258 HydrophobicContact CB-CB 4.23Å; L209-V258 HydrophobicContact CB-CG2 4.4Å; L209-V258 HydrophobicContact CD2-CB 4.44Å; L209-V258 HydrophobicContact CD2-CG2 4.26Å; L209-V258 HydrophobicContact CG-CG2 4.25Å; L209-V258 WeakPolarHBondContact O-CB 3.28Å; L209-V258 VanDerWaalsContact O-CG2 3.32Å; L209-V258 WeakPolarHBondContact O-CG2 3.38Å; L209-V258 PolarHBondContact O-N 2.98Å
210Y90.9Very high79.3Confident0 Ų064.7 Ų64.70%032%0.32CS..EExtended strand (participates in β ladder)trans-99124.2177.6-63.4-79.4000110.8P184 V185 W198 A200 K202 E208 Q231 L232 L239 I255 T256 A257P184-Y210 PolarHBondContact O-OH 2.82Å; V185-Y210 HydrophobicContact CG2-CD1 4.07Å; V185-Y210 HydrophobicContact CG2-CE1 3.63Å; W198-Y210 HydrophobicContact CZ2-CD1 4.29Å; W198-Y210 HydrophobicContact CZ2-CD2 4.14Å; W198-Y210 AromaticContact CZ2-CG 3.92Å; W198-Y210 HydrophobicContact CZ2-CG 3.92Å; W198-Y210 AromaticContact NE1-CE1 3.75Å; W198-Y210 AromaticContact NE1-CZ 3.85Å; A200-Y210 WeakPolarHBondContact CB-OH 3.49Å; K202-Y210 WeakPolarHBondContact CE-OH 3.04Å; E208-Y210 HydrophobicContact CB-CD2 4.49Å; E208-Y210 HydrophobicContact CB-CE2 3.83Å; E208-Y210 HydrophobicContact CG-CD1 4.36Å; E208-Y210 HydrophobicContact CG-CD2 4.32Å; E208-Y210 HydrophobicContact CG-CE1 3.84Å; E208-Y210 HydrophobicContact CG-CE2 3.81Å; Y210-Q231 VanDerWaalsContact O-CA 3.29Å; Y210-Q231 WeakPolarHBondContact O-CA 3.22Å; Y210-L232 HydrophobicContact CD2-CD1 4.01Å; Y210-L232 PolarHBondContact N-O 3.48Å; Y210-L232 PolarHBondContact O-N 3.44Å; Y210-L239 HydrophobicContact CD2-CD2 3.85Å; Y210-L239 HydrophobicContact CE2-CD1 4.32Å; Y210-L239 HydrophobicContact CE2-CD2 3.78Å; Y210-I255 HydrophobicContact CD1-CG2 4.1Å; Y210-T256 CarbonylContact C-O 3.54Å; Y210-T256 WeakPolarHBondContact CA-O 3.46Å; Y210-A257 HydrophobicContact CD1-CB 4.05Å; Y210-A257 HydrophobicContact CE1-CB 3.77Å
211K92.6Very high78.4Confident97 Ų9768.2 Ų68.242%0.42234%0.335SS..EExtended strand (participates in β ladder)trans-108117173.2-176.5-179.3178.6-177.80109.5V213 T256 V258K211-V213 HydrophobicContact CG-CG2 4.37Å; K211-T256 PolarHBondContact N-O 3.09Å; K211-T256 PolarHBondContact O-N 3.38Å; K211-V258 HydrophobicContact CB-CG2 4.46Å
212V94.4Very high78.4Confident0 Ų077.8 Ų77.80%037%0.37CS..EExtended strand (participates in β ladder)trans-104.5126.9178.3-173.10000109.2L196 R229 R230 I241 L243 I253 S254 I255L196-V212 HydrophobicContact CD1-CG1 3.98Å; V212-R229 CarbonylContact O-C 3.36Å; V212-R229 VanDerWaalsContact O-CA 3.25Å; V212-R229 WeakPolarHBondContact O-CA 3.15Å; V212-R230 HydrophobicContact CB-CB 4.3Å; V212-R230 PolarHBondContact N-O 3.02Å; V212-R230 PolarHBondContact O-N 2.87Å; V212-R230 VanDerWaalsContact O-O 3.12Å; V212-I241 HydrophobicContact CG2-CG2 4.29Å; V212-L243 HydrophobicContact CG1-CD2 4.36Å; V212-I253 HydrophobicContact CG1-CG2 3.91Å; V212-S254 CarbonylContact C-O 3.59Å; V212-S254 WeakPolarHBondContact CA-O 3.18Å; V212-I255 HydrophobicContact CG1-CG1 4.21Å; V212-I255 HydrophobicContact CG2-CG1 4.05Å; V212-I255 HydrophobicContact CG2-CG2 4.33Å
213V94.3Very high79Confident38 Ų3880.5 Ų80.523%0.2340%0.396CS..EExtended strand (participates in β ladder)trans-126.9132.8175.3179.90000107.9K211 G228 R229 S254K211-V213 HydrophobicContact CG-CG2 4.37Å; V213-G228 WeakPolarHBondContact CA-O 3.36Å; V213-R229 HydrophobicContact CG2-CB 4.44Å; V213-S254 PolarHBondContact N-O 3.46Å; V213-S254 PolarHBondContact O-N 3.1Å; V213-S254 PolarHBondContact O-OG 3.1Å; V213-S254 VanDerWaalsContact O-OG 3.12Å
214Y93.8Very high79.8Confident17 Ų1778.5 Ų78.57%0.06739%0.387CS..EExtended strand (participates in β ladder)trans-126.2144.7176.959.5-90.8000111K227 G228 L243 L245 Y251 S252Y214-K227 WeakPolarHBondContact O-CA 3.4Å; Y214-G228 VanDerWaalsContact CE1-C 3.49Å; Y214-G228 PolarHBondContact N-O 2.86Å; Y214-G228 PolarHBondContact O-N 3.36Å; Y214-G228 VanDerWaalsContact O-N 3.09Å; Y214-L243 HydrophobicContact CD1-CD1 3.64Å; Y214-L243 HydrophobicContact CD1-CD2 4.02Å; Y214-L243 HydrophobicContact CD1-CG 4.32Å; Y214-L243 HydrophobicContact CE1-CB 4.45Å; Y214-L243 HydrophobicContact CE1-CD1 4.23Å; Y214-L243 HydrophobicContact CE1-CD2 3.98Å; Y214-L243 HydrophobicContact CE1-CG 4.46Å; Y214-L243 HydrophobicContact CG-CD1 4.04Å; Y214-L245 HydrophobicContact CD2-CD2 4Å; Y214-L245 HydrophobicContact CE2-CD2 4.26Å; Y214-L245 HydrophobicContact CG-CD2 4.3Å; Y214-Y251 AromaticContact CD2-CD1 3.91Å; Y214-Y251 HydrophobicContact CD2-CD1 3.91Å; Y214-Y251 AromaticContact CD2-CE1 3.73Å; Y214-Y251 HydrophobicContact CD2-CE1 3.73Å; Y214-Y251 HydrophobicContact CE2-CE1 4.22Å; Y214-S252 CarbonylContact C-O 3.49Å; Y214-S252 WeakPolarHBondContact CA-O 3.32Å
215L93.3Very high81.2Confident78 Ų7874.1 Ų74.141%0.40837%0.369SS..EExtended strand (participates in β ladder)trans-131.1117.4179.7-167.973.3000109L225 D226 K227 Y251 S252L215-L225 HydrophobicContact CD1-CD1 3.64Å; L215-L225 HydrophobicContact CD1-CD2 4.25Å; L215-L225 HydrophobicContact CD1-CG 4Å; L215-L225 HydrophobicContact CD2-CD1 4.38Å; L215-L225 HydrophobicContact CG-CD1 3.93Å; L215-D226 CarbonylContact C-O 3.51Å; L215-D226 WeakPolarHBondContact CA-O 3.27Å; L215-K227 HydrophobicContact CD1-CB 4.08Å; L215-K227 HydrophobicContact CD1-CD 4.35Å; L215-K227 HydrophobicContact CD1-CG 4.17Å; L215-Y251 CarbonylContact O-C 3.43Å; L215-Y251 VanDerWaalsContact O-CA 3.31Å; L215-Y251 WeakPolarHBondContact O-CA 3.27Å; L215-S252 PolarHBondContact N-O 2.57Å; L215-S252 PolarHBondContact O-N 2.72Å
216G90.4Very high82.5Confident0 Ų067.5 Ų67.50%034%0.34CS..EExtended strand (participates in β ladder)trans-104.8130.7179.200000111.6L225 D226 N250 Y251G216-L225 WeakPolarHBondContact O-CA 3.05Å; G216-D226 PolarHBondContact N-O 2.86Å; G216-D226 PolarHBondContact O-N 3.35Å; G216-N250 CarbonylContact C-O 3.46Å; G216-N250 WeakPolarHBondContact CA-O 3.29Å; G216-Y251 VanDerWaalsContact CA-CE1 3.43Å
217S85.7Confident83.8Confident57 Ų5769.7 Ų69.740%0.39934%0.344SS..EExtended strand (participates in β ladder)trans-128.5155.4173.958.40000111N250S217-N250 PolarHBondContact N-O 3.02Å; S217-N250 PolarHBondContact O-N 3.33Å
218R82Confident84.6Confident39 Ų3966.5 Ų66.515%0.14733%0.327CS..  trans-125.7125178-70.2172.3174.7-178.7-2.6109.9Y220 Q221 F224 P247 T249R218-Y220 HydrophobicContact CB-CD1 4.21Å; R218-Y220 HydrophobicContact CB-CE1 3.89Å; R218-Y220 HydrophobicContact CB-CE2 4.34Å; R218-Y220 WeakPolarHBondContact CD-OH 3.05Å; R218-Y220 HydrophobicContact CG-CE1 4.02Å; R218-Y220 PolarHBondContact NE-OH 3.24Å; R218-Y220 PolarHBondContact O-N 3.12Å; R218-Q221 HydrophobicContact CB-CB 4.16Å; R218-Q221 CarbonylContact O-C 3.55Å; R218-Q221 PolarHBondContact O-N 2.77Å; R218-F224 HydrophobicContact CB-CB 4.41Å; R218-F224 HydrophobicContact CB-CD1 4.09Å; R218-F224 HydrophobicContact CG-CD1 3.51Å; R218-F224 HydrophobicContact CG-CE1 3.84Å; R218-F224 HydrophobicContact CG-CG 4.16Å; R218-F224 VanDerWaalsContact CZ-CZ 3.48Å; R218-P247 PolarHBondContact NH2-O 3.07Å; R218-P247 VanDerWaalsContact NH2-O 3.15Å; R218-T249 HydrophobicContact CG-CG2 4.25Å; R218-T249 PolarHBondContact NE-OG1 3.22Å; R218-T249 PolarHBondContact NH2-OG1 2.82Å
219D70.1Confident85.1Confident126 Ų12675.1 Ų75.167%0.67436%0.359SS*.THydrogen-bonded Turntrans-64.3-31.6-177.7-53.8-35.4000112.3N250D219-N250 PolarHBondContact OD2-ND2 2.83Å; D219-N250 VanDerWaalsContact OD2-ND2 3.12Å
220Y62.8Low85.3Confident92 Ų9277.1 Ų77.136%0.36136%0.363SS..THydrogen-bonded Turntrans-85.1-12.9-179.660-92.3000114.1R218 L248 W388R218-Y220 HydrophobicContact CB-CD1 4.21Å; R218-Y220 HydrophobicContact CB-CE1 3.89Å; R218-Y220 HydrophobicContact CB-CE2 4.34Å; R218-Y220 WeakPolarHBondContact CD-OH 3.05Å; R218-Y220 HydrophobicContact CG-CE1 4.02Å; R218-Y220 PolarHBondContact NE-OH 3.24Å; R218-Y220 PolarHBondContact O-N 3.12Å; Y220-L248 PolarHBondContact OH-O 2.78Å; Y220-W388 HydrophobicContact CD1-CZ2 4.43Å; Y220-W388 HydrophobicContact CD2-CH2 4.08Å; Y220-W388 AromaticContact CD2-CZ2 3.72Å; Y220-W388 HydrophobicContact CD2-CZ2 3.72Å; Y220-W388 HydrophobicContact CE1-CZ2 4.19Å; Y220-W388 AromaticContact CE2-CH2 3.63Å; Y220-W388 HydrophobicContact CE2-CH2 3.63Å; Y220-W388 AromaticContact CE2-CZ2 3.42Å; Y220-W388 HydrophobicContact CE2-CZ2 3.42Å; Y220-W388 VanDerWaalsContact CE2-CZ2 3.42Å; Y220-W388 HydrophobicContact CG-CZ2 4.21Å; Y220-W388 AromaticContact CZ-CZ2 3.66Å
221Q66.9Low85.4Confident78 Ų7882.9 Ų82.936%0.36439%0.39SS..  trans-135.478.9-177.6-168-179.6300108.3R218 S223 F224R218-Q221 HydrophobicContact CB-CB 4.16Å; R218-Q221 CarbonylContact O-C 3.55Å; R218-Q221 PolarHBondContact O-N 2.77Å; Q221-S223 PolarHBondContact O-N 3.11Å; Q221-S223 VanDerWaalsContact O-N 3.07Å; Q221-F224 HydrophobicContact CB-CB 3.95Å; Q221-F224 HydrophobicContact CG-CB 3.74Å; Q221-F224 VanDerWaalsContact O-CB 3.22Å; Q221-F224 WeakPolarHBondContact O-CB 3.5Å; Q221-F224 PolarHBondContact O-N 3.13Å
222R73.3Confident85.3Confident242 Ų24280 Ų8091%0.91338%0.379SS*.THydrogen-bonded Turntrans-57.6-26.3-172.6-67.3-174.8179.8-179.40.1114.6F224R222-F224 VanDerWaalsContact C-N 3.33Å
223S77.4Confident85.1Confident111 Ų11183.8 Ų83.878%0.77641%0.405SS*.THydrogen-bonded Turntrans-82.4-8.9176.155.20000113.9Q221Q221-S223 PolarHBondContact O-N 3.11Å; Q221-S223 VanDerWaalsContact O-N 3.07Å
224F79.2Confident84.6Confident34 Ų3483.7 Ų83.715%0.14941%0.406CS..  trans-79.8124.2178.8179.1-88.3000110.6R218 Q221 R222 D226 L246 T249R218-F224 HydrophobicContact CB-CB 4.41Å; R218-F224 HydrophobicContact CB-CD1 4.09Å; R218-F224 HydrophobicContact CG-CD1 3.51Å; R218-F224 HydrophobicContact CG-CE1 3.84Å; R218-F224 HydrophobicContact CG-CG 4.16Å; R218-F224 VanDerWaalsContact CZ-CZ 3.48Å; Q221-F224 HydrophobicContact CB-CB 3.95Å; Q221-F224 HydrophobicContact CG-CB 3.74Å; Q221-F224 VanDerWaalsContact O-CB 3.22Å; Q221-F224 WeakPolarHBondContact O-CB 3.5Å; Q221-F224 PolarHBondContact O-N 3.13Å; R222-F224 VanDerWaalsContact C-N 3.33Å; F224-D226 HydrophobicContact CE1-CB 3.99Å; F224-D226 HydrophobicContact CZ-CB 3.97Å; F224-L246 HydrophobicContact CE2-CD1 4.28Å; F224-L246 HydrophobicContact CZ-CD1 3.71Å; F224-T249 HydrophobicContact CE1-CG2 3.78Å
225L86.3Confident84.1Confident117 Ų11790.5 Ų90.561%0.61344%0.436SS*.EExtended strand (participates in β ladder)trans-138.2121.2172.6-168.970.7000108.5L215 G216L215-L225 HydrophobicContact CD1-CD1 3.64Å; L215-L225 HydrophobicContact CD1-CD2 4.25Å; L215-L225 HydrophobicContact CD1-CG 4Å; L215-L225 HydrophobicContact CD2-CD1 4.38Å; L215-L225 HydrophobicContact CG-CD1 3.93Å; G216-L225 WeakPolarHBondContact O-CA 3.05Å
226D88Confident83.4Confident34 Ų3488.3 Ų88.318%0.18243%0.432CS..EExtended strand (participates in β ladder)trans-107.4132.2169.9-179.440.3000109.4L215 G216 F224 L246 Y251L215-D226 CarbonylContact C-O 3.51Å; L215-D226 WeakPolarHBondContact CA-O 3.27Å; G216-D226 PolarHBondContact N-O 2.86Å; G216-D226 PolarHBondContact O-N 3.35Å; F224-D226 HydrophobicContact CE1-CB 3.99Å; F224-D226 HydrophobicContact CZ-CB 3.97Å; D226-L246 HydrophobicContact CB-CD1 4.11Å; D226-Y251 HydrophobicContact CB-CE1 4.26Å; D226-Y251 VanDerWaalsContact OD2-CE1 3.29Å; D226-Y251 WeakPolarHBondContact OD2-CE1 3.47Å; D226-Y251 PolarHBondContact OD2-OH 3.32Å
227K92.6Very high83.1Confident151 Ų15192.6 Ų92.666%0.65746%0.455SS*.EExtended strand (participates in β ladder)trans-138.9132.8-178.4-176.1179.9179.8177.20109.8Y214 L215Y214-K227 WeakPolarHBondContact O-CA 3.4Å; L215-K227 HydrophobicContact CD1-CB 4.08Å; L215-K227 HydrophobicContact CD1-CD 4.35Å; L215-K227 HydrophobicContact CD1-CG 4.17Å
228G91.2Very high83.2Confident14 Ų1498.1 Ų98.114%0.14447%0.467CS..EExtended strand (participates in β ladder)trans-147169.7172.200000113.8V213 Y214V213-G228 WeakPolarHBondContact CA-O 3.36Å; Y214-G228 VanDerWaalsContact CE1-C 3.49Å; Y214-G228 PolarHBondContact N-O 2.86Å; Y214-G228 PolarHBondContact O-N 3.36Å; Y214-G228 VanDerWaalsContact O-N 3.09Å
229R93.6Very high83.6Confident194 Ų19496.7 Ų96.773%0.73246%0.462SS*.EExtended strand (participates in β ladder)trans-139.1147.1-18067.5-177.2-174.6-172.71.8111.2V212 V213V212-R229 CarbonylContact O-C 3.36Å; V212-R229 VanDerWaalsContact O-CA 3.25Å; V212-R229 WeakPolarHBondContact O-CA 3.15Å; V213-R229 HydrophobicContact CG2-CB 4.44Å
230R92.7Very high84.6Confident100 Ų10095.7 Ų95.738%0.37746%0.456SS..EExtended strand (participates in β ladder)trans-139.8154.2171.6-72.4-65.3-170.6-110.46.6109.3V212 I241 L243V212-R230 HydrophobicContact CB-CB 4.3Å; V212-R230 PolarHBondContact N-O 3.02Å; V212-R230 PolarHBondContact O-N 2.87Å; V212-R230 VanDerWaalsContact O-O 3.12Å; R230-I241 HydrophobicContact CB-CD1 3.54Å; R230-I241 HydrophobicContact CG-CD1 4.04Å; R230-L243 HydrophobicContact CB-CD2 4.42Å; R230-L243 HydrophobicContact CG-CD2 3.85Å
231Q92.9Very high85.9Confident121 Ų12192.4 Ų92.457%0.56544%0.444SS*.EExtended strand (participates in β ladder)trans-144.1142.4179.2-171172.9-1.500108.8L209 Y210L209-Q231 HydrophobicContact CD1-CG 3.68Å; L209-Q231 VanDerWaalsContact CD1-NE2 3.28Å; L209-Q231 HydrophobicContact CG-CG 4.29Å; Y210-Q231 VanDerWaalsContact O-CA 3.29Å; Y210-Q231 WeakPolarHBondContact O-CA 3.22Å
232L91.4Very high87.1Confident37 Ų3791.9 Ų91.919%0.19445%0.448CS..EExtended strand (participates in β ladder)trans-147.7144.6175.273.591.5000109.6W198 Y210 L239 I241W198-L232 HydrophobicContact CH2-CD2 3.65Å; W198-L232 HydrophobicContact CZ2-CD2 4.13Å; Y210-L232 HydrophobicContact CD2-CD1 4.01Å; Y210-L232 PolarHBondContact N-O 3.48Å; Y210-L232 PolarHBondContact O-N 3.44Å; L232-L239 HydrophobicContact CD1-CD2 3.35Å; L232-I241 HydrophobicContact CD2-CB 4.1Å; L232-I241 HydrophobicContact CD2-CD1 3.83Å; L232-I241 HydrophobicContact CD2-CG1 4.45Å
233S89.3Confident87.8Confident79 Ų7980.5 Ų80.555%0.55241%0.406SS*.EExtended strand (participates in β ladder)trans-110.7133.9169.1-175.80000108.1E208E208-S233 WeakPolarHBondContact O-CA 3.24Å
234S84.8Confident88.2Confident36 Ų3684.8 Ų84.825%0.25241%0.405SS..EExtended strand (participates in β ladder)trans-153.3148.9-179.2-179.60000111.7K202 E208 G236K202-S234 PolarHBondContact NZ-O 2.77Å; E208-S234 PolarHBondContact N-O 3.13Å; E208-S234 PolarHBondContact O-N 3.5Å; S234-G236 PolarHBondContact OG-N 2.85Å
235K81.4Confident88.5Confident161 Ų16184.4 Ų84.470%0.741%0.405SS*.  trans-92.5-13.8168.1-62.5-173.4176.7-171.20112.9T207T207-K235 HydrophobicContact CG2-CD 4.13Å; T207-K235 VanDerWaalsContact CG2-CE 3.44Å; T207-K235 HydrophobicContact CG2-CG 3.55Å
236G79.1Confident88.2Confident31 Ų3180.5 Ų80.532%0.3238%0.384SS..  trans-69.8155.2-17700000113.3S234 L239S234-G236 PolarHBondContact OG-N 2.85Å; G236-L239 WeakPolarHBondContact O-CD1 3.27Å
237D84Confident87.6Confident91 Ų9180.4 Ų80.449%0.48739%0.385SS..SBendtrans-86-26.1177.769.9-34.7000112.5K199 A200K199-D237 CarbonylContact C-O 3.5Å; K199-D237 VanDerWaalsContact CA-O 3.24Å; K199-D237 WeakPolarHBondContact CA-O 3.49Å; A200-D237 PolarHBondContact N-O 3.19Å
238R87.7Confident86.9Confident173 Ų17375.2 Ų75.265%0.65337%0.365SS*.EExtended strand (participates in β ladder)trans-116.6122.3177-70.3-179.4175.7-169.2-1.2110.1
239L90.4Very high86.5Confident8 Ų874.6 Ų74.64%0.04236%0.358CS..EExtended strand (participates in β ladder)trans-123.5141.3-176.5-58.997.5000110.5K197 W198 A200 Y210 L232 G236K197-L239 WeakPolarHBondContact CA-O 3.34Å; W198-L239 HydrophobicContact CD2-CB 3.96Å; W198-L239 HydrophobicContact CE3-CB 4.24Å; W198-L239 HydrophobicContact CH2-CB 3.88Å; W198-L239 HydrophobicContact CZ2-CB 3.55Å; W198-L239 HydrophobicContact CZ2-CD2 3.89Å; W198-L239 HydrophobicContact CZ2-CG 4.2Å; W198-L239 HydrophobicContact CZ3-CB 4.18Å; W198-L239 PolarHBondContact N-O 2.87Å; W198-L239 VanDerWaalsContact N-O 3.1Å; W198-L239 PolarHBondContact O-N 3.08Å; A200-L239 HydrophobicContact CB-CD1 3.54Å; Y210-L239 HydrophobicContact CD2-CD2 3.85Å; Y210-L239 HydrophobicContact CE2-CD1 4.32Å; Y210-L239 HydrophobicContact CE2-CD2 3.78Å; L232-L239 HydrophobicContact CD1-CD2 3.35Å; G236-L239 WeakPolarHBondContact O-CD1 3.27Å
240I91.5Very high86.2Confident105 Ų10567.5 Ų67.554%0.53834%0.335SS..EExtended strand (participates in β ladder)trans-133128.7177.3-58.2176000108.3C195 L196 K197C195-I240 HydrophobicContact CB-CG2 4.24Å; L196-I240 CarbonylContact O-C 3.58Å; L196-I240 VanDerWaalsContact O-CA 3.26Å; L196-I240 WeakPolarHBondContact O-CA 2.89Å; K197-I240 HydrophobicContact CB-CG1 4.32Å; K197-I240 HydrophobicContact CG-CG1 4.07Å
241I91.3Very high86.1Confident23 Ų2362.9 Ų62.912%0.11832%0.317CS..EExtended strand (participates in β ladder)trans-136.1126.8171.6-164.5167.3000111.4C195 L196 W198 V212 R230 L232C195-I241 CarbonylContact C-O 3.44Å; C195-I241 WeakPolarHBondContact CA-O 3.44Å; L196-I241 HydrophobicContact CB-CG2 4.09Å; L196-I241 HydrophobicContact CD1-CG2 4.26Å; L196-I241 PolarHBondContact N-O 2.62Å; L196-I241 PolarHBondContact O-N 3.08Å; W198-I241 HydrophobicContact CH2-CB 4.47Å; W198-I241 HydrophobicContact CH2-CG2 3.96Å; W198-I241 HydrophobicContact CZ3-CB 4.41Å; W198-I241 HydrophobicContact CZ3-CG2 3.73Å; V212-I241 HydrophobicContact CG2-CG2 4.29Å; R230-I241 HydrophobicContact CB-CD1 3.54Å; R230-I241 HydrophobicContact CG-CD1 4.04Å; L232-I241 HydrophobicContact CD2-CB 4.1Å; L232-I241 HydrophobicContact CD2-CD1 3.83Å; L232-I241 HydrophobicContact CD2-CG1 4.45Å
242C90.3Very high86.1Confident67 Ų6760 Ų6045%0.45331%0.31SS..EExtended strand (participates in β ladder)trans-93.5129.5178.2-54.70000111.6C195C195-C242 HydrophobicContact CB-CB 4.08Å; C195-C242 WeakPolarHBondContact CB-SG 3.47Å; C195-C242 WeakPolarHBondContact SG-CB 3.47Å; C195-C242 CovalentContact SG-SG 2.05Å; C195-C242 PolarHBondContact SG-SG 3.12Å
243L89.4Confident86.3Confident4 Ų458.2 Ų58.22%0.02130%0.301CS..  trans-99.2154.8177.8-56.8-173.9000110.1N194 L196 V212 Y214 R230 L245 I253N194-L243 PolarHBondContact O-N 2.84Å; L196-L243 HydrophobicContact CD1-CD1 3.4Å; L196-L243 HydrophobicContact CD1-CD2 4.31Å; L196-L243 HydrophobicContact CD1-CG 3.75Å; V212-L243 HydrophobicContact CG1-CD2 4.36Å; Y214-L243 HydrophobicContact CD1-CD1 3.64Å; Y214-L243 HydrophobicContact CD1-CD2 4.02Å; Y214-L243 HydrophobicContact CD1-CG 4.32Å; Y214-L243 HydrophobicContact CE1-CB 4.45Å; Y214-L243 HydrophobicContact CE1-CD1 4.23Å; Y214-L243 HydrophobicContact CE1-CD2 3.98Å; Y214-L243 HydrophobicContact CE1-CG 4.46Å; Y214-L243 HydrophobicContact CG-CD1 4.04Å; R230-L243 HydrophobicContact CB-CD2 4.42Å; R230-L243 HydrophobicContact CG-CD2 3.85Å; L243-L245 HydrophobicContact CB-CD2 3.74Å; L243-L245 HydrophobicContact CB-CG 3.89Å; L243-L245 HydrophobicContact CD1-CD2 3.97Å; L243-L245 PolarHBondContact O-N 2.82Å; L243-I253 HydrophobicContact CD1-CD1 4.04Å; L243-I253 HydrophobicContact CD1-CG1 4.38Å; L243-I253 HydrophobicContact CD1-CG2 4.15Å
244R84.8Confident86.5Confident200 Ų20055.8 Ų55.876%0.75528%0.284SS*.  trans-9570.8173.9-68.1-174.9-179.3172.3-0.4109.4
245L85.6Confident86.8Confident27 Ų2754.1 Ų54.114%0.14127%0.272CS..PPolyproline II helixtrans-77.9139.3-179.9-53.9-176.9000110.6Y214 L243 Y251 I253 T270Y214-L245 HydrophobicContact CD2-CD2 4Å; Y214-L245 HydrophobicContact CE2-CD2 4.26Å; Y214-L245 HydrophobicContact CG-CD2 4.3Å; L243-L245 HydrophobicContact CB-CD2 3.74Å; L243-L245 HydrophobicContact CB-CG 3.89Å; L243-L245 HydrophobicContact CD1-CD2 3.97Å; L243-L245 PolarHBondContact O-N 2.82Å; L245-Y251 HydrophobicContact CB-CD2 4.13Å; L245-Y251 HydrophobicContact CB-CE2 3.68Å; L245-Y251 HydrophobicContact CD1-CD2 4.26Å; L245-Y251 HydrophobicContact CD2-CD1 3.87Å; L245-Y251 HydrophobicContact CD2-CD2 4.06Å; L245-Y251 HydrophobicContact CD2-CE1 3.87Å; L245-Y251 HydrophobicContact CD2-CE2 4.04Å; L245-Y251 HydrophobicContact CD2-CG 3.96Å; L245-Y251 HydrophobicContact CG-CD2 4.37Å; L245-Y251 HydrophobicContact CG-CE2 4.31Å; L245-I253 HydrophobicContact CD1-CD1 4.39Å; L245-T270 HydrophobicContact CB-CG2 3.87Å; L245-T270 HydrophobicContact CD1-CG2 4.2Å
246L80.1Confident87.3Confident34 Ų3448.1 Ų48.118%0.17825%0.249CC..PPolyproline II helixtrans-83.2149.7177.7-62.7172.6000110.7F224 D226 Y251 T270 L301F224-L246 HydrophobicContact CE2-CD1 4.28Å; F224-L246 HydrophobicContact CZ-CD1 3.71Å; D226-L246 HydrophobicContact CB-CD1 4.11Å; L246-Y251 WeakPolarHBondContact CB-OH 3.37Å; L246-Y251 PolarHBondContact N-OH 2.79Å; L246-T270 WeakPolarHBondContact O-CB 3.36Å; L246-T270 PolarHBondContact O-OG1 2.82Å; L246-L301 HydrophobicContact CD2-CD1 4.09Å
247P76.6Confident87.7Confident32 Ų3246.6 Ų46.621%0.20823%0.234CC..SBendtrans-67.3157.8179.728.3-34.9000111.8R218 T249 T270R218-P247 PolarHBondContact NH2-O 3.07Å; R218-P247 VanDerWaalsContact NH2-O 3.15Å; P247-T249 VanDerWaalsContact C-N 3.26Å; P247-T249 PolarHBondContact O-N 2.05Å; P247-T249 PolarHBondContact O-OG1 2.84Å; P247-T270 VanDerWaalsContact C-OG1 3.29Å; P247-T270 WeakPolarHBondContact CA-OG1 3.46Å
248L77.1Confident87.8Confident43 Ų4345.5 Ų45.523%0.22523%0.23CC..SBendtrans50.644175.8-62.7168.7000113.3Y220 T270 L272 W388Y220-L248 PolarHBondContact OH-O 2.78Å; L248-T270 WeakPolarHBondContact CA-O 3.47Å; L248-T270 PolarHBondContact N-O 3.43Å; L248-T270 PolarHBondContact N-OG1 2.83Å; L248-T270 VanDerWaalsContact N-OG1 3.08Å; L248-L272 HydrophobicContact CD1-CD1 4.11Å; L248-L272 HydrophobicContact CD2-CB 4.48Å; L248-W388 HydrophobicContact CD1-CB 3.73Å; L248-W388 VanDerWaalsContact CD1-CD1 3.44Å; L248-W388 HydrophobicContact CD1-CD2 3.73Å; L248-W388 HydrophobicContact CD1-CE3 4.48Å; L248-W388 HydrophobicContact CD1-CG 3.33Å
249T81.6Confident87.4Confident0 Ų041 Ų410%023%0.23CC..  trans-134.6134.9-174.6-54.30000109.5R218 F224 P247 Y251 T270R218-T249 HydrophobicContact CG-CG2 4.25Å; R218-T249 PolarHBondContact NE-OG1 3.22Å; R218-T249 PolarHBondContact NH2-OG1 2.82Å; F224-T249 HydrophobicContact CE1-CG2 3.78Å; P247-T249 VanDerWaalsContact C-N 3.26Å; P247-T249 PolarHBondContact O-N 2.05Å; P247-T249 PolarHBondContact O-OG1 2.84Å; T249-Y251 HydrophobicContact CG2-CD2 3.95Å; T249-Y251 HydrophobicContact CG2-CE1 4.29Å; T249-Y251 HydrophobicContact CG2-CE2 3.47Å; T249-Y251 VanDerWaalsContact CG2-CE2 3.47Å; T249-T270 PolarHBondContact N-OG1 2.85Å; T249-T270 PolarHBondContact O-N 2.84Å; T249-T270 VanDerWaalsContact O-N 3.11Å; T249-T270 PolarHBondContact O-OG1 3Å; T249-T270 VanDerWaalsContact O-OG1 3.13Å
250N87.8Confident86.7Confident46 Ų4642.9 Ų42.925%0.24625%0.247CC..EExtended strand (participates in β ladder)trans-90.3115.1176.7-61.6-23.7000107.7G216 S217 D219 N269G216-N250 CarbonylContact C-O 3.46Å; G216-N250 WeakPolarHBondContact CA-O 3.29Å; S217-N250 PolarHBondContact N-O 3.02Å; S217-N250 PolarHBondContact O-N 3.33Å; D219-N250 PolarHBondContact OD2-ND2 2.83Å; D219-N250 VanDerWaalsContact OD2-ND2 3.12Å; N250-N269 VanDerWaalsContact OD1-CG 3.29Å; N250-N269 PolarHBondContact OD1-OD1 2.79Å
251Y91.6Very high86.3Confident3 Ų348.9 Ų48.91%0.01226%0.262CS..EExtended strand (participates in β ladder)trans-104.9133.9-178.7-76.8-83.2000111.5Y214 L215 G216 D226 L245 L246 T249 T267 A268 T270Y214-Y251 AromaticContact CD2-CD1 3.91Å; Y214-Y251 HydrophobicContact CD2-CD1 3.91Å; Y214-Y251 AromaticContact CD2-CE1 3.73Å; Y214-Y251 HydrophobicContact CD2-CE1 3.73Å; Y214-Y251 HydrophobicContact CE2-CE1 4.22Å; L215-Y251 CarbonylContact O-C 3.43Å; L215-Y251 VanDerWaalsContact O-CA 3.31Å; L215-Y251 WeakPolarHBondContact O-CA 3.27Å; G216-Y251 VanDerWaalsContact CA-CE1 3.43Å; D226-Y251 HydrophobicContact CB-CE1 4.26Å; D226-Y251 VanDerWaalsContact OD2-CE1 3.29Å; D226-Y251 WeakPolarHBondContact OD2-CE1 3.47Å; D226-Y251 PolarHBondContact OD2-OH 3.32Å; L245-Y251 HydrophobicContact CB-CD2 4.13Å; L245-Y251 HydrophobicContact CB-CE2 3.68Å; L245-Y251 HydrophobicContact CD1-CD2 4.26Å; L245-Y251 HydrophobicContact CD2-CD1 3.87Å; L245-Y251 HydrophobicContact CD2-CD2 4.06Å; L245-Y251 HydrophobicContact CD2-CE1 3.87Å; L245-Y251 HydrophobicContact CD2-CE2 4.04Å; L245-Y251 HydrophobicContact CD2-CG 3.96Å; L245-Y251 HydrophobicContact CG-CD2 4.37Å; L245-Y251 HydrophobicContact CG-CE2 4.31Å; L246-Y251 WeakPolarHBondContact CB-OH 3.37Å; L246-Y251 PolarHBondContact N-OH 2.79Å; T249-Y251 HydrophobicContact CG2-CD2 3.95Å; T249-Y251 HydrophobicContact CG2-CE1 4.29Å; T249-Y251 HydrophobicContact CG2-CE2 3.47Å; T249-Y251 VanDerWaalsContact CG2-CE2 3.47Å; Y251-T267 CarbonylContact O-C 3.51Å; Y251-T267 VanDerWaalsContact O-CA 3.28Å; Y251-T267 WeakPolarHBondContact O-CA 3.47Å; Y251-A268 PolarHBondContact N-O 2.85Å; Y251-A268 PolarHBondContact O-N 2.78Å; Y251-T270 HydrophobicContact CD2-CG2 4Å; Y251-T270 HydrophobicContact CE2-CG2 4.08Å
252S93.5Very high85.9Confident59 Ų5951.3 Ų51.341%0.41327%0.272SS..EExtended strand (participates in β ladder)trans-102120.5160.3-177.60000108.6Y214 L215Y214-S252 CarbonylContact C-O 3.49Å; Y214-S252 WeakPolarHBondContact CA-O 3.32Å; L215-S252 PolarHBondContact N-O 2.57Å; L215-S252 PolarHBondContact O-N 2.72Å
253I93.9Very high85.9Confident0 Ų051.8 Ų51.80%027%0.273CS..EExtended strand (participates in β ladder)trans-117.6120.9-174.4-54.7169.3000108.4L190 L196 V212 L243 L245 T265 I266 A268L190-I253 HydrophobicContact CD1-CD1 3.71Å; L196-I253 HydrophobicContact CD1-CD1 4.33Å; L196-I253 HydrophobicContact CD1-CG2 3.59Å; L196-I253 HydrophobicContact CD2-CD1 4.25Å; L196-I253 HydrophobicContact CD2-CG2 3.93Å; L196-I253 HydrophobicContact CG-CG2 4.38Å; V212-I253 HydrophobicContact CG1-CG2 3.91Å; L243-I253 HydrophobicContact CD1-CD1 4.04Å; L243-I253 HydrophobicContact CD1-CG1 4.38Å; L243-I253 HydrophobicContact CD1-CG2 4.15Å; L245-I253 HydrophobicContact CD1-CD1 4.39Å; I253-T265 CarbonylContact O-C 3.58Å; I253-T265 VanDerWaalsContact O-CA 3.23Å; I253-T265 WeakPolarHBondContact O-CA 3.4Å; I253-I266 HydrophobicContact CB-CG2 3.94Å; I253-I266 HydrophobicContact CD1-CG2 4.46Å; I253-I266 HydrophobicContact CG2-CG2 4.45Å; I253-I266 PolarHBondContact N-O 2.93Å; I253-I266 PolarHBondContact O-N 3.24Å; I253-A268 HydrophobicContact CD1-CB 4.19Å
254S93.3Very high85.9Confident29 Ų2952.4 Ų52.420%0.20328%0.279CS..EExtended strand (participates in β ladder)trans-109.6131.6176.263.50000111.4V212 V213 A264V212-S254 CarbonylContact C-O 3.59Å; V212-S254 WeakPolarHBondContact CA-O 3.18Å; V213-S254 PolarHBondContact N-O 3.46Å; V213-S254 PolarHBondContact O-N 3.1Å; V213-S254 PolarHBondContact O-OG 3.1Å; V213-S254 VanDerWaalsContact O-OG 3.12Å; S254-A264 CarbonylContact C-O 3.53Å; S254-A264 WeakPolarHBondContact CA-O 3.17Å
255I92.6Very high86.3Confident0 Ų047.6 Ų47.60%027%0.272CS..EExtended strand (participates in β ladder)trans-113.4124.2173.1-56.7-178.2000107.9V185 L188 L196 W198 Y210 V212 T263 A264V185-I255 HydrophobicContact CG2-CG2 4.08Å; L188-I255 HydrophobicContact CD1-CD1 3.41Å; L188-I255 VanDerWaalsContact CD1-CD1 3.41Å; L188-I255 HydrophobicContact CD2-CD1 4.1Å; L188-I255 HydrophobicContact CG-CD1 4.41Å; L196-I255 HydrophobicContact CD2-CD1 4.32Å; W198-I255 HydrophobicContact CD2-CD1 4.22Å; W198-I255 HydrophobicContact CE3-CD1 3.95Å; W198-I255 HydrophobicContact CZ3-CD1 4.17Å; Y210-I255 HydrophobicContact CD1-CG2 4.1Å; V212-I255 HydrophobicContact CG1-CG1 4.21Å; V212-I255 HydrophobicContact CG2-CG1 4.05Å; V212-I255 HydrophobicContact CG2-CG2 4.33Å; I255-T263 CarbonylContact O-C 3.56Å; I255-T263 VanDerWaalsContact O-CA 3.23Å; I255-T263 WeakPolarHBondContact O-CA 3.33Å; I255-A264 PolarHBondContact N-O 3Å; I255-A264 PolarHBondContact O-N 3.01Å
256T90.4Very high86.6Confident35 Ų3548.1 Ų48.122%0.21527%0.274CS..EExtended strand (participates in β ladder)trans-113.9119.9178.2-54.30000110.1Y210 K211 F262 T263Y210-T256 CarbonylContact C-O 3.54Å; Y210-T256 WeakPolarHBondContact CA-O 3.46Å; K211-T256 PolarHBondContact N-O 3.09Å; K211-T256 PolarHBondContact O-N 3.38Å; T256-F262 CarbonylContact C-O 3.56Å; T256-F262 VanDerWaalsContact CA-O 3.27Å; T256-F262 WeakPolarHBondContact CA-O 3.41Å; T256-T263 WeakPolarHBondContact CG2-OG1 3.44Å; T256-T263 PolarHBondContact OG1-OG1 3.37Å; T256-T263 VanDerWaalsContact OG1-OG1 3.08Å
257A88.5Confident87.1Confident0 Ų051.9 Ų51.90%030%0.299CS..EExtended strand (participates in β ladder)trans-81.6113.3164.600000108.1P184 E208 Y210 A260 R261 F262P184-A257 HydrophobicContact CB-CB 3.63Å; P184-A257 HydrophobicContact CG-CB 4.28Å; E208-A257 HydrophobicContact CG-CB 4.01Å; Y210-A257 HydrophobicContact CD1-CB 4.05Å; Y210-A257 HydrophobicContact CE1-CB 3.77Å; A257-A260 HydrophobicContact CB-CB 4.23Å; A257-R261 WeakPolarHBondContact O-CA 3.49Å; A257-R261 PolarHBondContact O-N 2.78Å; A257-F262 HydrophobicContact CB-CB 4.46Å; A257-F262 PolarHBondContact N-O 2.71Å; A257-F262 PolarHBondContact O-N 3.12Å; A257-F262 VanDerWaalsContact O-N 3.12Å
258V85.7Confident87.6Confident68 Ų6850.8 Ų50.841%0.41229%0.293SS..THydrogen-bonded Turntrans-75.9-44.9-166.8175.60000112E208 L209 K211 R261E208-V258 PolarHBondContact OE1-N 2.79Å; L209-V258 HydrophobicContact CB-CB 4.23Å; L209-V258 HydrophobicContact CB-CG2 4.4Å; L209-V258 HydrophobicContact CD2-CB 4.44Å; L209-V258 HydrophobicContact CD2-CG2 4.26Å; L209-V258 HydrophobicContact CG-CG2 4.25Å; L209-V258 WeakPolarHBondContact O-CB 3.28Å; L209-V258 VanDerWaalsContact O-CG2 3.32Å; L209-V258 WeakPolarHBondContact O-CG2 3.38Å; L209-V258 PolarHBondContact O-N 2.98Å; K211-V258 HydrophobicContact CB-CG2 4.46Å; V258-R261 PolarHBondContact O-N 3.27Å
259A79.3Confident87.9Confident78 Ų7854.6 Ų54.665%0.64531%0.314SS*.THydrogen-bonded Turntrans-68.5-42.9179.900000110.5E208 R261E208-A259 VanDerWaalsContact OE1-CB 3.25Å; E208-A259 WeakPolarHBondContact OE1-CB 3.41Å; E208-A259 PolarHBondContact OE1-N 3.17Å; E208-A259 WeakPolarHBondContact OE2-CB 3.37Å; A259-R261 VanDerWaalsContact C-N 3.29Å; A259-R261 PolarHBondContact O-N 3.48Å
260A76.4Confident87.8Confident48 Ų4855.7 Ų55.740%0.39732%0.32SS..THydrogen-bonded Turntrans-79.9-0.8176.800000115.6P184 E208 A257 F262P184-A260 HydrophobicContact CB-CB 3.87Å; P184-A260 HydrophobicContact CG-CB 3.17Å; E208-A260 WeakPolarHBondContact OE2-CB 3.26Å; E208-A260 PolarHBondContact OE2-N 2.91Å; E208-A260 VanDerWaalsContact OE2-N 3.12Å; A257-A260 HydrophobicContact CB-CB 4.23Å; A260-F262 PolarHBondContact O-N 3.38Å; A260-F262 VanDerWaalsContact O-N 3.16Å
261R81.6Confident87Confident230 Ų23057 Ų5787%0.86833%0.333SS*.THydrogen-bonded Turntrans4939.6180-60.4-174174.8-172.7-0.7114.3A257 V258 A259A257-R261 WeakPolarHBondContact O-CA 3.49Å; A257-R261 PolarHBondContact O-N 2.78Å; V258-R261 PolarHBondContact O-N 3.27Å; A259-R261 VanDerWaalsContact C-N 3.29Å; A259-R261 PolarHBondContact O-N 3.48Å
262F83.9Confident86Confident74 Ų7457.3 Ų57.333%0.32534%0.335SS..EExtended strand (participates in β ladder)trans-117.2137.6-175.9-179.3-98000111.1P183 P184 V185 T256 A257 A260 A264P183-F262 HydrophobicContact CB-CZ 4.27Å; P184-F262 HydrophobicContact CG-CB 3.79Å; P184-F262 HydrophobicContact CG-CD1 4.39Å; P184-F262 HydrophobicContact CG-CG 4.19Å; V185-F262 HydrophobicContact CB-CD1 4.35Å; V185-F262 HydrophobicContact CB-CE1 4.14Å; V185-F262 HydrophobicContact CG2-CD1 4.5Å; T256-F262 CarbonylContact C-O 3.56Å; T256-F262 VanDerWaalsContact CA-O 3.27Å; T256-F262 WeakPolarHBondContact CA-O 3.41Å; A257-F262 HydrophobicContact CB-CB 4.46Å; A257-F262 PolarHBondContact N-O 2.71Å; A257-F262 PolarHBondContact O-N 3.12Å; A257-F262 VanDerWaalsContact O-N 3.12Å; A260-F262 PolarHBondContact O-N 3.38Å; A260-F262 VanDerWaalsContact O-N 3.16Å; F262-A264 HydrophobicContact CE1-CB 3.96Å
263T89.9Confident84.7Confident77 Ų7757.9 Ų57.947%0.47234%0.336SS..EExtended strand (participates in β ladder)trans-125.8127.2176.6-57.10000110.9I255 T256I255-T263 CarbonylContact O-C 3.56Å; I255-T263 VanDerWaalsContact O-CA 3.23Å; I255-T263 WeakPolarHBondContact O-CA 3.33Å; T256-T263 WeakPolarHBondContact CG2-OG1 3.44Å; T256-T263 PolarHBondContact OG1-OG1 3.37Å; T256-T263 VanDerWaalsContact OG1-OG1 3.08Å
264A90.3Very high83.3Confident17 Ų1761.1 Ų61.114%0.1436%0.356CS..EExtended strand (participates in β ladder)trans-111.4143.4171.700000110.3V185 L188 S254 I255 F262V185-A264 HydrophobicContact CB-CB 4.33Å; V185-A264 HydrophobicContact CG1-CB 4.06Å; L188-A264 HydrophobicContact CD2-CB 4.11Å; S254-A264 CarbonylContact C-O 3.53Å; S254-A264 WeakPolarHBondContact CA-O 3.17Å; I255-A264 PolarHBondContact N-O 3Å; I255-A264 PolarHBondContact O-N 3.01Å; F262-A264 HydrophobicContact CE1-CB 3.96Å
265T92.5Very high82.3Confident100 Ų10060 Ų6061%0.61335%0.347SS*.EExtended strand (participates in β ladder)trans-124.9140.9179.952.80000111.9I253I253-T265 CarbonylContact O-C 3.58Å; I253-T265 VanDerWaalsContact O-CA 3.23Å; I253-T265 WeakPolarHBondContact O-CA 3.4Å
266I92Very high81.3Confident37 Ų3763.8 Ų63.819%0.1937%0.372CS..EExtended strand (participates in β ladder)trans-134.9142.1173.9-170.5168.8000110.1L188 L196 I253L188-I266 HydrophobicContact CD2-CB 3.93Å; L188-I266 HydrophobicContact CD2-CG2 3.87Å; L188-I266 HydrophobicContact CG-CB 4.3Å; L188-I266 HydrophobicContact CG-CD1 4.35Å; L188-I266 HydrophobicContact CG-CG2 4.2Å; L196-I266 HydrophobicContact CD2-CG2 3.69Å; I253-I266 HydrophobicContact CB-CG2 3.94Å; I253-I266 HydrophobicContact CD1-CG2 4.46Å; I253-I266 HydrophobicContact CG2-CG2 4.45Å; I253-I266 PolarHBondContact N-O 2.93Å; I253-I266 PolarHBondContact O-N 3.24Å
267T90.9Very high80.3Confident113 Ų11365 Ų6569%0.69339%0.385SS*.EExtended strand (participates in β ladder)trans-99140.3174.451.30000110.9Y251Y251-T267 CarbonylContact O-C 3.51Å; Y251-T267 VanDerWaalsContact O-CA 3.28Å; Y251-T267 WeakPolarHBondContact O-CA 3.47Å
268A85.9Confident79.6Confident10 Ų1066 Ų668%0.08339%0.392CS..EExtended strand (participates in β ladder)trans-139129.9-178.700000110.9L190 Y251 I253L190-A268 HydrophobicContact CD1-CB 3.62Å; L190-A268 HydrophobicContact CD2-CB 4.15Å; Y251-A268 PolarHBondContact N-O 2.85Å; Y251-A268 PolarHBondContact O-N 2.78Å; I253-A268 HydrophobicContact CD1-CB 4.19Å
269N84.2Confident79.1Confident123 Ų12369.6 Ų69.666%0.65841%0.414SS*.EExtended strand (participates in β ladder)trans-107.3117.3175.1-64.2-0.2000108.4N250N250-N269 VanDerWaalsContact OD1-CG 3.29Å; N250-N269 PolarHBondContact OD1-OD1 2.79Å
270T80.3Confident79Confident23 Ų2367.4 Ų67.414%0.14139%0.393CS..PPolyproline II helixtrans-82.5136.3-179.958.20000111.1L245 L246 P247 L248 T249 Y251L245-T270 HydrophobicContact CB-CG2 3.87Å; L245-T270 HydrophobicContact CD1-CG2 4.2Å; L246-T270 WeakPolarHBondContact O-CB 3.36Å; L246-T270 PolarHBondContact O-OG1 2.82Å; P247-T270 VanDerWaalsContact C-OG1 3.29Å; P247-T270 WeakPolarHBondContact CA-OG1 3.46Å; L248-T270 WeakPolarHBondContact CA-O 3.47Å; L248-T270 PolarHBondContact N-O 3.43Å; L248-T270 PolarHBondContact N-OG1 2.83Å; L248-T270 VanDerWaalsContact N-OG1 3.08Å; T249-T270 PolarHBondContact N-OG1 2.85Å; T249-T270 PolarHBondContact O-N 2.84Å; T249-T270 VanDerWaalsContact O-N 3.11Å; T249-T270 PolarHBondContact O-OG1 3Å; T249-T270 VanDerWaalsContact O-OG1 3.13Å; Y251-T270 HydrophobicContact CD2-CG2 4Å; Y251-T270 HydrophobicContact CE2-CG2 4.08Å
271S71Confident79Confident74 Ų7472.4 Ų72.452%0.51741%0.407SS..PPolyproline II helixtrans-92.1168177.560.60000111.9T273S271-T273 PolarHBondContact O-N 3.34Å
272L69.9Low79Confident8 Ų866.4 Ų66.44%0.04239%0.385CS..PPolyproline II helixtrans-68.5120.2174.2-172.868.2000110L248 W388 M391 R393L248-L272 HydrophobicContact CD1-CD1 4.11Å; L248-L272 HydrophobicContact CD2-CB 4.48Å; L272-W388 HydrophobicContact CD2-CB 4.4Å; L272-M391 HydrophobicContact CD2-CG 4.48Å; L272-R393 HydrophobicContact CD2-CG 4.44Å; L272-R393 PolarHBondContact O-NE 2.88Å
273T65.5Low78.7Confident72 Ų7265.3 Ų65.344%0.44239%0.385SS..PPolyproline II helixtrans-82.8153179.851.50000111.8S271S271-T273 PolarHBondContact O-N 3.34Å
274V65.8Low78.2Confident68 Ų6867.4 Ų67.441%0.41239%0.389SS..PPolyproline II helixtrans-63.8130.6169.6-176.70000107.5R393 C395V274-R393 HydrophobicContact CG2-CB 4.37Å; V274-R393 VanDerWaalsContact CG2-CD 3.49Å; V274-C395 HydrophobicContact CG1-CB 3.95Å
275P72.2Confident77.6Confident4 Ų468.6 Ų68.63%0.02639%0.393CS..PPolyproline II helixtrans-59.8147.7176.522-29.4000110.8I304 V384 S386 C395P275-I304 HydrophobicContact CB-CG1 3.91Å; P275-V384 HydrophobicContact CB-CB 4.35Å; P275-V384 HydrophobicContact CB-CG1 3.7Å; P275-V384 HydrophobicContact CG-CB 4.16Å; P275-V384 HydrophobicContact CG-CG1 3.94Å; P275-V384 WeakPolarHBondContact CG-O 3.41Å; P275-S386 WeakPolarHBondContact CB-OG 3.25Å; P275-S386 WeakPolarHBondContact CD-OG 3.42Å; P275-S386 WeakPolarHBondContact CG-OG 3.46Å; P275-C395 HydrophobicContact CG-CB 4.37Å
276P72.1Confident76.4Confident80 Ų8070.3 Ų70.352%0.51939%0.394SS..PPolyproline II helixtrans-59.5141.3172.826.4-33000110.3
277A69.6Low75Confident60 Ų6073.4 Ų73.450%0.49642%0.415SS..PPolyproline II helixtrans-60.7133.4174.100000109.3
278P72.9Confident73.5Confident23 Ų2373 Ų7315%0.14941%0.414CS..PPolyproline II helixtrans-71.1137.9-18030.7-29.9000108.6V280 L382 V384 V397P278-V280 PolarHBondContact O-N 3.16Å; P278-V280 VanDerWaalsContact O-N 3.08Å; P278-L382 HydrophobicContact CB-CD2 4.09Å; P278-L382 HydrophobicContact CG-CD2 3.55Å; P278-L382 HydrophobicContact CG-CG 4.17Å; P278-V384 HydrophobicContact CB-CG2 4.05Å; P278-V384 VanDerWaalsContact CD-CG2 3.43Å; P278-V384 HydrophobicContact CG-CG2 3.42Å; P278-V384 VanDerWaalsContact CG-CG2 3.42Å; P278-V397 HydrophobicContact CG-CG1 3.63Å
279V74.1Confident72.7Confident143 Ų14375.4 Ų75.487%0.86743%0.428SS*.  trans-76100.8178.2-176.40000108.2
280V77.5Confident72.3Confident32 Ų3269.9 Ų69.919%0.19440%0.399CS..  trans-122.8147.3175.7-62.90000109.9P278 L292 L382 V397 W399P278-V280 PolarHBondContact O-N 3.16Å; P278-V280 VanDerWaalsContact O-N 3.08Å; V280-L292 HydrophobicContact CG1-CD1 4.26Å; V280-L382 HydrophobicContact CG1-CD2 3.83Å; V280-V397 HydrophobicContact CG2-CB 4.23Å; V280-V397 HydrophobicContact CG2-CG1 3.52Å; V280-V397 HydrophobicContact CG2-CG2 3.61Å; V280-W399 HydrophobicContact CG2-CB 4.39Å
281H76.9Confident72.4Confident152 Ų15272.2 Ų72.270%0.70441%0.413SS*.  trans-91.8126.9174.2-66.274000108.4T283H281-T283 PolarHBondContact O-N 2.98Å
282Y80.9Confident72.8Confident104 Ų10469 Ų6941%0.40839%0.39SS..  trans-64.1132.1173.7177.8-104.1000109.8E284 L398 W399 K401Y282-E284 HydrophobicContact CD1-CG 4.3Å; Y282-E284 HydrophobicContact CE1-CG 3.33Å; Y282-E284 VanDerWaalsContact CE1-OE1 3.28Å; Y282-E284 WeakPolarHBondContact CE1-OE1 3.27Å; Y282-E284 WeakPolarHBondContact OH-CG 3.31Å; Y282-E284 PolarHBondContact OH-OE1 3.03Å; Y282-L398 HydrophobicContact CD2-CD2 4.13Å; Y282-L398 HydrophobicContact CD2-CG 4.08Å; Y282-L398 HydrophobicContact CE2-CD2 3.65Å; Y282-L398 HydrophobicContact CE2-CG 3.91Å; Y282-W399 VanDerWaalsContact CA-O 3.31Å; Y282-W399 WeakPolarHBondContact CA-O 3.05Å; Y282-K401 HydrophobicContact CE2-CB 4.37Å; Y282-K401 WeakPolarHBondContact OH-CB 3.18Å
283T78.8Confident73.1Confident51 Ų5176.4 Ų76.431%0.31342%0.417SS..EExtended strand (participates in β ladder)trans-132.5132-178.747.80000111.1H281 W399 A400 K401H281-T283 PolarHBondContact O-N 2.98Å; T283-W399 PolarHBondContact N-O 3.29Å; T283-W399 VanDerWaalsContact N-O 3.12Å; T283-A400 CarbonylContact O-C 3.43Å; T283-A400 WeakPolarHBondContact O-CA 3.42Å; T283-A400 WeakPolarHBondContact O-CB 3.03Å; T283-A400 WeakPolarHBondContact OG1-CB 3.06Å; T283-K401 PolarHBondContact O-N 3.36Å
284E79.6Confident73.5Confident121 Ų12173.8 Ų73.857%0.56540%0.401SS*.EExtended strand (participates in β ladder)trans-106.1125.8170.1-56.2-157.3163.600109.1Y282 K401Y282-E284 HydrophobicContact CD1-CG 4.3Å; Y282-E284 HydrophobicContact CE1-CG 3.33Å; Y282-E284 VanDerWaalsContact CE1-OE1 3.28Å; Y282-E284 WeakPolarHBondContact CE1-OE1 3.27Å; Y282-E284 WeakPolarHBondContact OH-CG 3.31Å; Y282-E284 PolarHBondContact OH-OE1 3.03Å; E284-K401 CarbonylContact C-O 3.53Å; E284-K401 WeakPolarHBondContact CA-O 3.02Å; E284-K401 HydrophobicContact CG-CB 4.25Å
285L76.3Confident73.6Confident43 Ų4378.1 Ų78.123%0.22541%0.414CS..EExtended strand (participates in β ladder)trans-128.6136.4-178.6-65.792.3000111.1P288 P290 K401 V402 A403L285-P288 WeakPolarHBondContact CD2-O 3.46Å; L285-P290 HydrophobicContact CD1-CB 4.01Å; L285-P290 HydrophobicContact CD2-CB 4.36Å; L285-K401 PolarHBondContact N-O 2.03Å; L285-V402 CarbonylContact O-C 3.56Å; L285-V402 WeakPolarHBondContact O-CA 3.36Å; L285-A403 PolarHBondContact O-N 2.85Å
286E68.4Low73.4Confident135 Ų13583.6 Ų83.663%0.63143%0.434SS*.SBendtrans-99.214.1175.4-63.7-174.6166.400112.6
287T63.1Low72.8Confident103 Ų10381.9 Ų81.963%0.63242%0.424SS*.SBendtrans109.1140.8-163.659.70000111.8
288P58.4Low72.1Confident104 Ų10485.3 Ų85.368%0.67544%0.441SS*.SBendcis-88.7167.80.535.3-32.3000114L285L285-P288 WeakPolarHBondContact CD2-O 3.46Å
289V68.8Low71.1Confident61 Ų6188.6 Ų88.637%0.3746%0.457SS..  trans-40.2131179.4172.60000113.9T357 V358V289-T357 HydrophobicContact CB-CG2 4.3Å; V289-T357 HydrophobicContact CG1-CG2 3.41Å; V289-T357 VanDerWaalsContact CG1-CG2 3.41Å; V289-V358 HydrophobicContact CG1-CB 4.36Å; V289-V358 WeakPolarHBondContact CG1-O 3.29Å
290P77.3Confident70Confident7 Ų787.8 Ų87.85%0.04545%0.453CS..  trans-74.8137.5-179.630.7-34.5000112L285 V358 I380 W399 A400 V402L285-P290 HydrophobicContact CD1-CB 4.01Å; L285-P290 HydrophobicContact CD2-CB 4.36Å; P290-V358 HydrophobicContact CG-CG2 4.44Å; P290-V358 PolarHBondContact O-N 2.77Å; P290-I380 HydrophobicContact CG-CD1 3.55Å; P290-W399 HydrophobicContact CB-CH2 3.67Å; P290-W399 HydrophobicContact CB-CZ2 3.75Å; P290-W399 HydrophobicContact CG-CH2 3.91Å; P290-W399 HydrophobicContact CG-CZ2 4.4Å; P290-W399 HydrophobicContact CG-CZ3 4.45Å; P290-A400 HydrophobicContact CG-CB 4.38Å; P290-V402 HydrophobicContact CG-CG2 3.87Å
291T81.3Confident68.9Low72 Ų7290.9 Ų90.944%0.44247%0.468SS..EExtended strand (participates in β ladder)trans-104115.9170.3-56.30000109.7N355 F356 T357T291-N355 HydrophobicContact CG2-CB 4.01Å; T291-F356 CarbonylContact C-O 3.54Å; T291-F356 VanDerWaalsContact CA-O 3.29Å; T291-F356 WeakPolarHBondContact CA-O 3.17Å; T291-T357 WeakPolarHBondContact CG2-OG1 3.35Å; T291-T357 PolarHBondContact OG1-OG1 2.92Å
292L79.7Confident68Low5 Ų585.6 Ų85.63%0.02645%0.445CS..EExtended strand (participates in β ladder)trans-77.5124.1173.5-177.963.1000109.4V280 L294 I309 N355 F356 L382 W399V280-L292 HydrophobicContact CG1-CD1 4.26Å; L292-L294 HydrophobicContact CD1-CD2 4.18Å; L292-L294 HydrophobicContact CD2-CD1 3.91Å; L292-L294 HydrophobicContact CD2-CD2 3.81Å; L292-L294 HydrophobicContact CD2-CG 3.72Å; L292-L294 HydrophobicContact CG-CD2 3.98Å; L292-L294 HydrophobicContact CG-CG 3.84Å; L292-I309 HydrophobicContact CD2-CG1 4.42Å; L292-N355 CarbonylContact O-C 3.52Å; L292-N355 WeakPolarHBondContact O-CA 2.94Å; L292-F356 HydrophobicContact CB-CB 4.36Å; L292-F356 HydrophobicContact CB-CD1 4.27Å; L292-F356 PolarHBondContact N-O 2.93Å; L292-F356 PolarHBondContact O-N 2.87Å; L292-L382 HydrophobicContact CD2-CD1 4.14Å; L292-L382 HydrophobicContact CD2-CD2 4.35Å; L292-W399 VanDerWaalsContact CA-CZ2 3.43Å; L292-W399 HydrophobicContact CB-CD2 4.32Å; L292-W399 HydrophobicContact CB-CE3 4.18Å; L292-W399 HydrophobicContact CB-CH2 3.43Å; L292-W399 VanDerWaalsContact CB-CH2 3.43Å; L292-W399 HydrophobicContact CB-CZ2 3.53Å; L292-W399 HydrophobicContact CB-CZ3 3.75Å; L292-W399 HydrophobicContact CD1-CD2 3.76Å; L292-W399 HydrophobicContact CD1-CE3 4.29Å; L292-W399 HydrophobicContact CD1-CG 4.06Å; L292-W399 HydrophobicContact CD1-CZ2 4.06Å; L292-W399 HydrophobicContact CD2-CE3 4.39Å; L292-W399 HydrophobicContact CG-CD2 4.44Å; L292-W399 HydrophobicContact CG-CH2 4.5Å; L292-W399 HydrophobicContact CG-CZ2 4.36Å; L292-W399 VanDerWaalsContact N-CH2 3.31Å; L292-W399 VanDerWaalsContact N-CZ2 3.34Å
293R76.3Confident67.1Low165 Ų16582.3 Ų82.362%0.62344%0.436SS*.EExtended strand (participates in β ladder)trans-100.2105.7169.3-66.4-173.556.8-162.4-5109.4E353 V354R293-E353 IonicContact CZ-OE2 3.33Å; R293-E353 IonicContact NH2-OE1 2.79Å; R293-E353 IonicContact NH2-OE2 2.99Å; R293-E353 PolarHBondContact NH2-OE2 2.72Å; R293-V354 WeakPolarHBondContact CA-O 3.07Å
294L73Confident66.9Low17 Ų1780.7 Ų80.79%0.08943%0.425CS..EExtended strand (participates in β ladder)trans-94.7124.7173.5-68.3175.5000109.5L292 Y307 L345 E353 V354 L382L292-L294 HydrophobicContact CD1-CD2 4.18Å; L292-L294 HydrophobicContact CD2-CD1 3.91Å; L292-L294 HydrophobicContact CD2-CD2 3.81Å; L292-L294 HydrophobicContact CD2-CG 3.72Å; L292-L294 HydrophobicContact CG-CD2 3.98Å; L292-L294 HydrophobicContact CG-CG 3.84Å; L294-Y307 HydrophobicContact CD1-CD2 4.44Å; L294-Y307 HydrophobicContact CD1-CG 4.28Å; L294-L345 HydrophobicContact CD1-CD1 4Å; L294-E353 WeakPolarHBondContact O-CA 3.5Å; L294-V354 PolarHBondContact N-O 2.75Å; L294-V354 PolarHBondContact O-N 2.82Å; L294-L382 HydrophobicContact CD2-CD2 3.98Å
295K69Low66.7Low158 Ų15876.8 Ų76.869%0.68741%0.412SS*.EExtended strand (participates in β ladder)trans-104.1132.8169.5-171.7171.9-177169.80109.5
296R67.5Low67Low119 Ų11975.5 Ų75.545%0.44940%0.404SS..  trans-66.8136.7176.7-171.2179.7170.8174.4-1.1110.6A352R296-A352 PolarHBondContact N-O 3.45Å
297S59.3Low67.8Low44 Ų4470.1 Ų70.131%0.30838%0.378SS..  trans-61.5132.2168.3168.90000110.1N299 D302S297-N299 PolarHBondContact O-N 3.1Å; S297-N299 VanDerWaalsContact O-N 3.12Å; S297-D302 WeakPolarHBondContact CB-OD2 3.49Å; S297-D302 PolarHBondContact OG-OD2 2.83Å
298P54.1Low69Low133 Ų13365.8 Ų65.886%0.86435%0.351SS*.SBendtrans-70-5.2-17726.9-33.3000113.8
299N52.8Low70.4Confident91 Ų9160.8 Ų60.849%0.48732%0.319SS..  trans-87.8116.9-177.7-166.4-5.3000111.2S297 L301 D302S297-N299 PolarHBondContact O-N 3.1Å; S297-N299 VanDerWaalsContact O-N 3.12Å; N299-L301 PolarHBondContact O-N 3.03Å; N299-L301 PolarHBondContact OD1-N 3.12Å; N299-D302 PolarHBondContact O-N 3.21Å
300T50.7Low71.2Confident126 Ų12658.2 Ų58.277%0.77330%0.302SS*.THydrogen-bonded Turntrans-71.5-6.2179.753.20000114.1
301L54.2Low71.6Confident97 Ų9757.9 Ų57.951%0.50830%0.3SS..THydrogen-bonded Turntrans-101.915.1179.2-64.8166.9000112.9L246 N299L246-L301 HydrophobicContact CD2-CD1 4.09Å; N299-L301 PolarHBondContact O-N 3.03Å; N299-L301 PolarHBondContact OD1-N 3.12Å
302D58Low71.7Confident41 Ų4155 Ų5522%0.21928%0.282CS..  trans-61.5128.9-177.9-132.7-45.3000111.1S297 N299 I304S297-D302 WeakPolarHBondContact CB-OD2 3.49Å; S297-D302 PolarHBondContact OG-OD2 2.83Å; N299-D302 PolarHBondContact O-N 3.21Å; D302-I304 PolarHBondContact O-N 2.79Å; D302-I304 WeakPolarHBondContact OD1-CD1 3.04Å; D302-I304 WeakPolarHBondContact OD1-CG1 3.06Å
303P63.6Low71.5Confident35 Ų3555.6 Ų55.623%0.22729%0.286CS..  trans-68.3-8.2176.827.6-37000113.6S305 S386P303-S305 PolarHBondContact O-N 2.72Å; P303-S386 VanDerWaalsContact O-CA 3.32Å; P303-S386 WeakPolarHBondContact O-CA 3.34Å; P303-S386 WeakPolarHBondContact O-CB 3.38Å; P303-S386 PolarHBondContact O-OG 2.78Å; P303-S386 VanDerWaalsContact O-OG 3.04Å
304I73.7Confident71.2Confident17 Ų1750.2 Ų50.29%0.08727%0.271CS..  trans-69124.7-175.7-53.1169.3000110.4P275 D302 Y307 V347 V384P275-I304 HydrophobicContact CB-CG1 3.91Å; D302-I304 PolarHBondContact O-N 2.79Å; D302-I304 WeakPolarHBondContact OD1-CD1 3.04Å; D302-I304 WeakPolarHBondContact OD1-CG1 3.06Å; I304-Y307 HydrophobicContact CG2-CE1 4.49Å; I304-Y307 HydrophobicContact CG2-CE2 4.4Å; I304-V347 HydrophobicContact CB-CG2 4.14Å; I304-V347 HydrophobicContact CG2-CG2 3.59Å; I304-V384 HydrophobicContact CB-CG1 4.19Å; I304-V384 HydrophobicContact CD1-CG1 3.8Å; I304-V384 HydrophobicContact CG1-CG1 3.7Å; I304-V384 HydrophobicContact CG2-CG1 3.43Å; I304-V384 VanDerWaalsContact CG2-CG1 3.43Å
305S75.8Confident70.6Confident40 Ų4055.8 Ų55.828%0.2830%0.297SS..  trans-95.4-44.4178-53.80000111.9P303 V347 V385 R387P303-S305 PolarHBondContact O-N 2.72Å; S305-V347 PolarHBondContact O-N 2.84Å; S305-V385 WeakPolarHBondContact CB-O 3.14Å; S305-V385 PolarHBondContact N-O 2.81Å; S305-R387 PolarHBondContact OG-N 3.23Å; S305-R387 PolarHBondContact OG-O 3.09Å
306F82Confident69.8Low16 Ų1656.3 Ų56.37%0.0730%0.302CS..EExtended strand (participates in β ladder)trans-159.7159.5-179.550.6-91.3000112Q308 Q344 L345 V385 R387F306-Q308 HydrophobicContact CD2-CG 3.99Å; F306-Q308 HydrophobicContact CE2-CG 4.1Å; F306-Q344 HydrophobicContact CB-CG 4.38Å; F306-Q344 HydrophobicContact CD2-CG 3.91Å; F306-Q344 HydrophobicContact CG-CG 4.34Å; F306-L345 CarbonylContact C-O 3.57Å; F306-L345 VanDerWaalsContact CA-O 3.23Å; F306-L345 WeakPolarHBondContact CA-O 3.37Å; F306-L345 WeakPolarHBondContact CB-O 3.44Å; F306-V385 HydrophobicContact CD2-CB 3.91Å; F306-V385 HydrophobicContact CD2-CG2 4.11Å; F306-V385 HydrophobicContact CE1-CB 4.37Å; F306-V385 HydrophobicContact CE1-CG1 4.18Å; F306-V385 HydrophobicContact CE2-CB 3.5Å; F306-V385 HydrophobicContact CE2-CG1 3.81Å; F306-V385 HydrophobicContact CE2-CG2 3.61Å; F306-V385 HydrophobicContact CZ-CB 3.76Å; F306-V385 HydrophobicContact CZ-CG1 3.55Å; F306-V385 HydrophobicContact CZ-CG2 4.25Å; F306-V385 PolarHBondContact N-O 2.73Å; F306-V385 PolarHBondContact O-N 3.24Å; F306-R387 HydrophobicContact CE1-CB 3.92Å; F306-R387 HydrophobicContact CZ-CB 4.42Å
307Y85.4Confident69Low22 Ų2258.9 Ų58.99%0.08632%0.324CS..EExtended strand (participates in β ladder)trans-101.8143.5170.1-60.2-86.5000109.7L294 I304 Q344 L345 V347 L350 L382 R383 V384L294-Y307 HydrophobicContact CD1-CD2 4.44Å; L294-Y307 HydrophobicContact CD1-CG 4.28Å; I304-Y307 HydrophobicContact CG2-CE1 4.49Å; I304-Y307 HydrophobicContact CG2-CE2 4.4Å; Y307-Q344 CarbonylContact O-C 3.56Å; Y307-Q344 WeakPolarHBondContact O-CA 3.06Å; Y307-L345 PolarHBondContact N-O 3.28Å; Y307-L345 PolarHBondContact O-N 2.97Å; Y307-V347 HydrophobicContact CD2-CG2 4.23Å; Y307-V347 HydrophobicContact CE2-CG2 3.83Å; Y307-L350 HydrophobicContact CD2-CD1 3.65Å; Y307-L350 HydrophobicContact CE2-CD1 3.88Å; Y307-L382 HydrophobicContact CD1-CD1 4.35Å; Y307-R383 CarbonylContact C-O 3.48Å; Y307-R383 WeakPolarHBondContact CA-O 3.4Å; Y307-V384 HydrophobicContact CD1-CB 4.47Å; Y307-V384 HydrophobicContact CD1-CG1 4.35Å; Y307-V384 HydrophobicContact CD1-CG2 3.79Å; Y307-V384 HydrophobicContact CE1-CB 4.48Å; Y307-V384 HydrophobicContact CE1-CG1 4.05Å; Y307-V384 HydrophobicContact CE1-CG2 3.75Å
308Q87.8Confident68.9Low11 Ų1160.6 Ų60.65%0.05133%0.332CS..EExtended strand (participates in β ladder)trans-124.3137.8173-76.4178.7-29.500109F306 F310 L341 A343 Q344 R383F306-Q308 HydrophobicContact CD2-CG 3.99Å; F306-Q308 HydrophobicContact CE2-CG 4.1Å; Q308-F310 HydrophobicContact CB-CD2 4.44Å; Q308-F310 HydrophobicContact CB-CE2 3.81Å; Q308-L341 HydrophobicContact CB-CD1 3.78Å; Q308-L341 HydrophobicContact CG-CD1 4.05Å; Q308-A343 WeakPolarHBondContact CA-O 3.04Å; Q308-Q344 HydrophobicContact CG-CB 4.42Å; Q308-Q344 HydrophobicContact CG-CG 4.05Å; Q308-R383 HydrophobicContact CB-CB 4.17Å; Q308-R383 PolarHBondContact N-O 2.83Å; Q308-R383 PolarHBondContact O-N 3.29Å
309I88.1Confident69.1Low0 Ų060.5 Ų60.50%033%0.329CS..EExtended strand (participates in β ladder)trans-116122.4176.2-56.4101.7000109.4L292 L341 T342 A343 L345 F356 I380 L382L292-I309 HydrophobicContact CD2-CG1 4.42Å; I309-L341 WeakPolarHBondContact O-CD1 3.43Å; I309-T342 HydrophobicContact CB-CG2 3.79Å; I309-T342 HydrophobicContact CG2-CG2 3.66Å; I309-T342 WeakPolarHBondContact O-CG2 3.44Å; I309-T342 PolarHBondContact O-N 2.81Å; I309-A343 HydrophobicContact CD1-CB 3.72Å; I309-A343 PolarHBondContact N-O 3.02Å; I309-L345 HydrophobicContact CD1-CD1 3.9Å; I309-L345 HydrophobicContact CD1-CG 4.26Å; I309-F356 HydrophobicContact CB-CE1 4.07Å; I309-F356 HydrophobicContact CB-CZ 4.42Å; I309-F356 HydrophobicContact CD1-CD1 4.12Å; I309-F356 HydrophobicContact CD1-CE1 4.07Å; I309-F356 HydrophobicContact CD1-CG 4.42Å; I309-F356 HydrophobicContact CD1-CZ 4.36Å; I309-F356 HydrophobicContact CG1-CD1 4.29Å; I309-F356 HydrophobicContact CG1-CE1 4.06Å; I309-F356 HydrophobicContact CG2-CE1 3.85Å; I309-F356 HydrophobicContact CG2-CZ 4.47Å; I309-I380 HydrophobicContact CG2-CG2 3.59Å; I309-L382 HydrophobicContact CD1-CD1 4.47Å; I309-L382 HydrophobicContact CG1-CD1 3.79Å
310F86.4Confident69.9Low7 Ų758.2 Ų58.23%0.03132%0.315CS..EExtended strand (participates in β ladder)trans-106140.9177.9-69.9-93.3000110.4Q308 F320 A326 Y340 L341 I380 V381 R383Q308-F310 HydrophobicContact CB-CD2 4.44Å; Q308-F310 HydrophobicContact CB-CE2 3.81Å; F310-F320 HydrophobicContact CB-CE2 4.13Å; F310-F320 HydrophobicContact CB-CZ 4.3Å; F310-F320 HydrophobicContact CD1-CE2 4.07Å; F310-F320 HydrophobicContact CD1-CZ 4.37Å; F310-F320 HydrophobicContact CD2-CE2 4.32Å; F310-F320 AromaticContact CD2-CZ 3.85Å; F310-F320 HydrophobicContact CD2-CZ 3.85Å; F310-F320 HydrophobicContact CE2-CZ 4.25Å; F310-F320 AromaticContact CG-CE2 3.91Å; F310-F320 HydrophobicContact CG-CE2 3.91Å; F310-F320 AromaticContact CG-CZ 3.91Å; F310-F320 HydrophobicContact CG-CZ 3.91Å; F310-A326 HydrophobicContact CZ-CB 4.31Å; F310-Y340 WeakPolarHBondContact CA-O 3.3Å; F310-L341 HydrophobicContact CD1-CB 4.36Å; F310-L341 HydrophobicContact CD2-CD1 4.43Å; F310-L341 HydrophobicContact CE1-CB 4.07Å; F310-L341 HydrophobicContact CE1-CD1 4.29Å; F310-L341 HydrophobicContact CE2-CD1 4.14Å; F310-L341 HydrophobicContact CZ-CD1 4.07Å; F310-I380 WeakPolarHBondContact O-CA 3.3Å; F310-V381 HydrophobicContact CB-CB 4.38Å; F310-V381 PolarHBondContact N-O 3.12Å; F310-V381 PolarHBondContact O-N 3.23Å; F310-R383 HydrophobicContact CD2-CB 4.33Å; F310-R383 HydrophobicContact CE2-CB 4.07Å
311V85Confident70.9Confident0 Ų056.4 Ų56.40%030%0.3CS..EExtended strand (participates in β ladder)trans-114.6124.4171.2178.90000108.4Y340 T342 V358 L372 Y378V311-Y340 HydrophobicContact CB-CD1 4.14Å; V311-Y340 HydrophobicContact CB-CE1 3.56Å; V311-Y340 HydrophobicContact CB-CE2 4.07Å; V311-Y340 HydrophobicContact CG1-CD1 4.48Å; V311-Y340 HydrophobicContact CG1-CE1 3.58Å; V311-Y340 HydrophobicContact CG2-CE1 4.49Å; V311-Y340 HydrophobicContact CG2-CE2 4.25Å; V311-Y340 PolarHBondContact N-O 2.88Å; V311-Y340 PolarHBondContact O-N 3.23Å; V311-Y340 VanDerWaalsContact O-N 3.14Å; V311-T342 HydrophobicContact CG2-CG2 3.76Å; V311-V358 HydrophobicContact CG2-CG1 3.75Å; V311-L372 HydrophobicContact CG1-CD2 3.89Å; V311-Y378 HydrophobicContact CG1-CD1 3.63Å; V311-Y378 HydrophobicContact CG1-CE1 4.4Å; V311-Y378 HydrophobicContact CG1-CG 4.2Å
312L82.5Confident71.9Confident12 Ų1253.1 Ų53.16%0.06329%0.285CS..EExtended strand (participates in β ladder)trans-113.7106-176.1-55.5174.2000108.7F320 E339 Y378 F379 V381L312-F320 HydrophobicContact CD1-CB 3.99Å; L312-F320 HydrophobicContact CD1-CD2 3.92Å; L312-F320 HydrophobicContact CD1-CG 4.09Å; L312-F320 HydrophobicContact CD2-CD2 3.78Å; L312-F320 HydrophobicContact CD2-CE2 4.25Å; L312-F320 HydrophobicContact CG-CD2 4.42Å; L312-E339 HydrophobicContact CD2-CB 3.32Å; L312-Y378 CarbonylContact O-C 3.54Å; L312-Y378 VanDerWaalsContact O-CA 3.26Å; L312-Y378 WeakPolarHBondContact O-CA 3.49Å; L312-F379 HydrophobicContact CB-CB 4.21Å; L312-F379 HydrophobicContact CD1-CB 4.37Å; L312-F379 PolarHBondContact N-O 3Å; L312-F379 PolarHBondContact O-N 3.36Å; L312-V381 HydrophobicContact CD1-CG2 3.64Å
313P75.9Confident72.4Confident17 Ų1755.3 Ų55.311%0.1130%0.304CS..EExtended strand (participates in β ladder)trans-70130169.827-28000109.5E315 P337 Y378P313-E315 PolarHBondContact O-N 3.04Å; P313-P337 HydrophobicContact CG-CB 4.44Å; P313-P337 HydrophobicContact CG-CG 3.98Å; P313-P337 WeakPolarHBondContact CG-O 3.17Å; P313-Y378 HydrophobicContact CB-CD1 3.98Å; P313-Y378 HydrophobicContact CB-CE1 3.81Å
314V69.8Low72.6Confident51 Ų5154.8 Ų54.831%0.30930%0.301SS..  trans-96.895.7-178.3-172.30000108.7T377 F379V314-T377 HydrophobicContact CB-CG2 4.4Å; V314-T377 HydrophobicContact CG2-CG2 4.25Å; V314-T377 PolarHBondContact N-O 2.77Å; V314-F379 HydrophobicContact CG1-CE2 4.44Å; V314-F379 HydrophobicContact CG2-CD2 3.18Å; V314-F379 HydrophobicContact CG2-CE2 3.41Å; V314-F379 VanDerWaalsContact CG2-CE2 3.41Å; V314-F379 HydrophobicContact CG2-CG 4.23Å
315E60.4Low72.1Confident135 Ų13559.6 Ų59.663%0.63133%0.333SS*.SBendtrans-98.5-34.8165.1-70.2175.1179.800110.5P313P313-E315 PolarHBondContact O-N 3.04Å
316E53.6Low71.1Confident168 Ų16859 Ų5979%0.78533%0.33SS*.SBendtrans-145.4-179.4170.6-73-171.8162.500111.1V318E316-V318 WeakPolarHBondContact O-CG2 3.44Å; E316-V318 PolarHBondContact O-N 3.4Å
317L49.4Very low69.7Low174 Ų17462.7 Ų62.791%0.91136%0.358SS*.  trans-6785.6-174.9-131137000111.7
318V58.3Low67.6Low80 Ų8068.3 Ų68.349%0.48539%0.389SS..  trans-79.7120.1-179.2-151.80000110.7E316 F320E316-V318 WeakPolarHBondContact O-CG2 3.44Å; E316-V318 PolarHBondContact O-N 3.4Å; V318-F320 PolarHBondContact O-N 3.18Å
319V58.3Low65.3Low131 Ų13173 Ų7379%0.79442%0.415SS*.  trans-85.1107.5170.6-179.60000108.4
320F68.9Low63.1Low42 Ų4279.4 Ų79.418%0.18446%0.456CS..  trans-80.4116.4178.1-179.3-101.6000111.4F310 L312 V318 C322 E339 V381 C396F310-F320 HydrophobicContact CB-CE2 4.13Å; F310-F320 HydrophobicContact CB-CZ 4.3Å; F310-F320 HydrophobicContact CD1-CE2 4.07Å; F310-F320 HydrophobicContact CD1-CZ 4.37Å; F310-F320 HydrophobicContact CD2-CE2 4.32Å; F310-F320 AromaticContact CD2-CZ 3.85Å; F310-F320 HydrophobicContact CD2-CZ 3.85Å; F310-F320 HydrophobicContact CE2-CZ 4.25Å; F310-F320 AromaticContact CG-CE2 3.91Å; F310-F320 HydrophobicContact CG-CE2 3.91Å; F310-F320 AromaticContact CG-CZ 3.91Å; F310-F320 HydrophobicContact CG-CZ 3.91Å; L312-F320 HydrophobicContact CD1-CB 3.99Å; L312-F320 HydrophobicContact CD1-CD2 3.92Å; L312-F320 HydrophobicContact CD1-CG 4.09Å; L312-F320 HydrophobicContact CD2-CD2 3.78Å; L312-F320 HydrophobicContact CD2-CE2 4.25Å; L312-F320 HydrophobicContact CG-CD2 4.42Å; V318-F320 PolarHBondContact O-N 3.18Å; F320-C322 HydrophobicContact CE1-CB 4.4Å; F320-C322 PolarHBondContact O-N 2.04Å; F320-E339 VanDerWaalsContact CD2-OE2 3.25Å; F320-E339 WeakPolarHBondContact CD2-OE2 3.23Å; F320-E339 WeakPolarHBondContact CE2-OE2 3.36Å; F320-V381 HydrophobicContact CD1-CG1 3.96Å; F320-V381 HydrophobicContact CD1-CG2 4.45Å; F320-V381 HydrophobicContact CE1-CB 4.31Å; F320-V381 HydrophobicContact CE1-CG1 3.58Å; F320-V381 HydrophobicContact CZ-CG1 4.14Å; F320-C396 HydrophobicContact CE1-CB 4.18Å
321D70.8Confident60.8Low88 Ų8883.4 Ų83.447%0.47149%0.485SS..  trans-85.5106.4172.5-178.711.7000111.1S323 S324D321-S323 PolarHBondContact O-N 3.07Å; D321-S323 VanDerWaalsContact OD1-CB 3.3Å; D321-S323 WeakPolarHBondContact OD1-CB 3.32Å; D321-S323 PolarHBondContact OD1-N 3.49Å; D321-S323 PolarHBondContact OD1-OG 2.91Å; D321-S324 PolarHBondContact O-N 3.32Å; D321-S324 PolarHBondContact O-OG 2.78Å; D321-S324 VanDerWaalsContact O-OG 3.07Å
322C76.4Confident58.5Low28 Ų2887.5 Ų87.519%0.18951%0.513CS..THydrogen-bonded Turntrans-61.9-12176.8-1750000114.8F320 R383 S394 C396F320-C322 HydrophobicContact CE1-CB 4.4Å; F320-C322 PolarHBondContact O-N 2.04Å; C322-R383 PolarHBondContact O-NE 3.33Å; C322-R383 PolarHBondContact O-NH2 2.04Å; C322-S394 PolarHBondContact O-OG 2.94Å; C322-C396 WeakPolarHBondContact CA-SG 3.44Å; C322-C396 HydrophobicContact CB-CB 3.7Å; C322-C396 WeakPolarHBondContact CB-SG 3.29Å; C322-C396 VanDerWaalsContact SG-CA 3.6Å; C322-C396 WeakPolarHBondContact SG-CB 3.35Å; C322-C396 PolarHBondContact SG-N 3.5Å; C322-C396 CovalentContact SG-SG 2.02Å; C322-C396 PolarHBondContact SG-SG 2.8Å
323S68.4Low56.3Low88 Ų8899.1 Ų99.162%0.61556%0.557SS**THydrogen-bonded Turntrans-97-14.7-177.7-48.40000113D321 R383D321-S323 PolarHBondContact O-N 3.07Å; D321-S323 VanDerWaalsContact OD1-CB 3.3Å; D321-S323 WeakPolarHBondContact OD1-CB 3.32Å; D321-S323 PolarHBondContact OD1-N 3.49Å; D321-S323 PolarHBondContact OD1-OG 2.91Å; S323-R383 PolarHBondContact O-NH2 2.95Å
324S67.6Low54.3Low24 Ų24102.1 Ų102.117%0.16858%0.582CS.*SBendtrans-62.7142-176.268.70000111.6D321 R383D321-S324 PolarHBondContact O-N 3.32Å; D321-S324 PolarHBondContact O-OG 2.78Å; D321-S324 VanDerWaalsContact O-OG 3.07Å; S324-R383 VanDerWaalsContact O-CZ 3.28Å; S324-R383 PolarHBondContact O-NH1 2.86Å; S324-R383 PolarHBondContact O-NH2 3.34Å
325P62.4Low52.9Low118 Ų118108.8 Ų108.877%0.76661%0.61SS**PPolyproline II helixtrans-67.7139.4171.326.5-30.3000109.6S327P325-S327 PolarHBondContact O-N 2.98Å
326A56Low52.1Low26 Ų26106.6 Ų106.622%0.21561%0.61CS.*PPolyproline II helixtrans-61.4123174.500000109.5F310 L328 L341F310-A326 HydrophobicContact CZ-CB 4.31Å; A326-L328 PolarHBondContact O-N 2.86Å; A326-L341 HydrophobicContact CB-CD2 3.68Å
327S52Low51.9Low94 Ų94102.3 Ų102.366%0.65760%0.597SS**PPolyproline II helixtrans-66.1133.2174.469.40000109.1P325P325-S327 PolarHBondContact O-N 2.98Å
328L41.6Very low52.4Low140 Ų14098 Ų9873%0.73359%0.586SS**  trans-990.2-176.7-89.8160.3000113A326 P330 F367A326-L328 PolarHBondContact O-N 2.86Å; L328-P330 WeakPolarHBondContact O-CD 3.26Å; L328-F367 HydrophobicContact CD2-CE1 4.37Å; L328-F367 HydrophobicContact CD2-CZ 4.28Å
329D38.7Very low53.2Low110 Ų11097.5 Ų97.559%0.58858%0.578SS**  trans-110.3107.9-171.3-87.4-31.6000112.6S331D329-S331 PolarHBondContact O-N 3.05Å
330P42.9Very low54.2Low135 Ų13593.8 Ų93.888%0.87755%0.551SS**THydrogen-bonded Turntrans-73.91.7163.90.915.2000112.7L328L328-P330 WeakPolarHBondContact O-CD 3.26Å
331S37.7Very low54.9Low90 Ų9092.7 Ų92.763%0.62955%0.547SS*.THydrogen-bonded Turntrans-109.8-4.6-169.753.60000115.7D329 R333D329-S331 PolarHBondContact O-N 3.05Å; S331-R333 PolarHBondContact O-N 2.78Å; S331-R333 VanDerWaalsContact O-N 3.08Å
332S35.9Very low55.6Low86 Ų8688.5 Ų88.560%0.60152%0.524SS*.  trans-74.8101.916859.70000108.5A334S332-A334 PolarHBondContact O-N 3.39Å
333R37.3Very low56.1Low257 Ų25787.1 Ų87.197%0.9752%0.515SS*.  trans-60.283.3163.7-71.1-179.5-172.8171.41.7108.8S331S331-R333 PolarHBondContact O-N 2.78Å; S331-R333 VanDerWaalsContact O-N 3.08Å
334A34.4Very low57Low79 Ų7985.4 Ų85.465%0.65350%0.497SS*.  trans-115133.7160.300000106.6S332S332-A334 PolarHBondContact O-N 3.39Å
335E40.8Very low57.9Low192 Ų19285.1 Ų85.190%0.89749%0.494SS*.SBendtrans-61.1136.3-175.6-66.3165.514800110.9
336S42.7Very low58.6Low88 Ų8880.7 Ų80.762%0.61547%0.469SS*.SBendtrans60.9141.5-178.271.90000117.7A338S336-A338 PolarHBondContact O-N 3.14Å
337P50Low59.5Low79 Ų7980.3 Ų80.351%0.51346%0.464SS..  trans-80.182.8-170.932.2-31.1000110.7P313 E339P313-P337 HydrophobicContact CG-CB 4.44Å; P313-P337 HydrophobicContact CG-CG 3.98Å; P313-P337 WeakPolarHBondContact CG-O 3.17Å; P337-E339 PolarHBondContact O-N 3.38Å; P337-E339 VanDerWaalsContact O-N 3.11Å
338A59.6Low60.3Low84 Ų8485.1 Ų85.169%0.69448%0.477SS*.  trans-64.1108161.300000107.9S336S336-A338 PolarHBondContact O-N 3.14Å
339E74Confident61.3Low68 Ų6883.5 Ų83.532%0.31848%0.477SS..  trans45.5120169.864.6-179.8-169.500118.6L312 F320 P337L312-E339 HydrophobicContact CD2-CB 3.32Å; F320-E339 VanDerWaalsContact CD2-OE2 3.25Å; F320-E339 WeakPolarHBondContact CD2-OE2 3.23Å; F320-E339 WeakPolarHBondContact CE2-OE2 3.36Å; P337-E339 PolarHBondContact O-N 3.38Å; P337-E339 VanDerWaalsContact O-N 3.11Å
340Y79.9Confident62.8Low53 Ų5379.4 Ų79.421%0.20846%0.455CS..EExtended strand (participates in β ladder)trans-122.7139.9173.475-87.2000113.3F310 V311 T342 A370F310-Y340 WeakPolarHBondContact CA-O 3.3Å; V311-Y340 HydrophobicContact CB-CD1 4.14Å; V311-Y340 HydrophobicContact CB-CE1 3.56Å; V311-Y340 HydrophobicContact CB-CE2 4.07Å; V311-Y340 HydrophobicContact CG1-CD1 4.48Å; V311-Y340 HydrophobicContact CG1-CE1 3.58Å; V311-Y340 HydrophobicContact CG2-CE1 4.49Å; V311-Y340 HydrophobicContact CG2-CE2 4.25Å; V311-Y340 PolarHBondContact N-O 2.88Å; V311-Y340 PolarHBondContact O-N 3.23Å; V311-Y340 VanDerWaalsContact O-N 3.14Å; Y340-T342 PolarHBondContact O-N 2.81Å; Y340-A370 HydrophobicContact CE2-CB 4.04Å; Y340-A370 PolarHBondContact OH-O 2.87Å
341L83.2Confident63.8Low19 Ų1975 Ų7510%0.09943%0.434CS..EExtended strand (participates in β ladder)trans-79.7114173177.958.6000108.7Q308 I309 F310 A326 A343 F367Q308-L341 HydrophobicContact CB-CD1 3.78Å; Q308-L341 HydrophobicContact CG-CD1 4.05Å; I309-L341 WeakPolarHBondContact O-CD1 3.43Å; F310-L341 HydrophobicContact CD1-CB 4.36Å; F310-L341 HydrophobicContact CD2-CD1 4.43Å; F310-L341 HydrophobicContact CE1-CB 4.07Å; F310-L341 HydrophobicContact CE1-CD1 4.29Å; F310-L341 HydrophobicContact CE2-CD1 4.14Å; F310-L341 HydrophobicContact CZ-CD1 4.07Å; A326-L341 HydrophobicContact CB-CD2 3.68Å; L341-A343 WeakPolarHBondContact CD1-O 3.38Å; L341-F367 HydrophobicContact CB-CD1 4.12Å; L341-F367 HydrophobicContact CB-CE1 4.41Å; L341-F367 HydrophobicContact CD2-CD1 3.65Å; L341-F367 HydrophobicContact CD2-CD2 4.06Å; L341-F367 HydrophobicContact CD2-CE1 3.33Å; L341-F367 HydrophobicContact CD2-CE2 3.77Å; L341-F367 HydrophobicContact CD2-CG 4.01Å; L341-F367 HydrophobicContact CD2-CZ 3.39Å; L341-F367 HydrophobicContact CG-CD1 3.72Å; L341-F367 HydrophobicContact CG-CD2 4.29Å; L341-F367 HydrophobicContact CG-CE1 3.96Å; L341-F367 HydrophobicContact CG-CE2 4.49Å; L341-F367 HydrophobicContact CG-CG 3.91Å; L341-F367 HydrophobicContact CG-CZ 4.34Å
342T85.8Confident65.2Low0 Ų074.6 Ų74.60%044%0.436CS..EExtended strand (participates in β ladder)trans-89.2-31-178.1168.70000112.8I309 V311 Y340 F356 F367 N369I309-T342 HydrophobicContact CB-CG2 3.79Å; I309-T342 HydrophobicContact CG2-CG2 3.66Å; I309-T342 WeakPolarHBondContact O-CG2 3.44Å; I309-T342 PolarHBondContact O-N 2.81Å; V311-T342 HydrophobicContact CG2-CG2 3.76Å; Y340-T342 PolarHBondContact O-N 2.81Å; T342-F356 HydrophobicContact CG2-CE1 4.34Å; T342-F356 HydrophobicContact CG2-CZ 3.81Å; T342-F367 CarbonylContact O-C 3.59Å; T342-F367 WeakPolarHBondContact O-CB 3.39Å; T342-N369 VanDerWaalsContact OG1-CA 3.26Å; T342-N369 WeakPolarHBondContact OG1-CA 3.34Å; T342-N369 VanDerWaalsContact OG1-CB 3.22Å; T342-N369 WeakPolarHBondContact OG1-CB 3.19Å; T342-N369 PolarHBondContact OG1-OD1 2.74Å
343A86.8Confident66.8Low0 Ų075.2 Ų75.20%043%0.43CS..EExtended strand (participates in β ladder)trans-154.7143.9-17600000112.5Q308 I309 L341 F356 Y364Q308-A343 WeakPolarHBondContact CA-O 3.04Å; I309-A343 HydrophobicContact CD1-CB 3.72Å; I309-A343 PolarHBondContact N-O 3.02Å; L341-A343 WeakPolarHBondContact CD1-O 3.38Å; A343-F356 HydrophobicContact CB-CD2 4.12Å; A343-F356 HydrophobicContact CB-CE2 3.39Å; A343-F356 HydrophobicContact CB-CZ 3.68Å; A343-Y364 VanDerWaalsContact CB-CB 3.48Å; A343-Y364 HydrophobicContact CB-CD2 4.4Å; A343-Y364 HydrophobicContact CB-CG 4.12Å
344Q87.9Confident68.6Low52 Ų5264.4 Ų64.424%0.24339%0.392CS..EExtended strand (participates in β ladder)trans-124.5119165.9-173.6174.9-70.700110.2F306 Y307 Q308 Y364 G365 F367F306-Q344 HydrophobicContact CB-CG 4.38Å; F306-Q344 HydrophobicContact CD2-CG 3.91Å; F306-Q344 HydrophobicContact CG-CG 4.34Å; Y307-Q344 CarbonylContact O-C 3.56Å; Y307-Q344 WeakPolarHBondContact O-CA 3.06Å; Q308-Q344 HydrophobicContact CG-CB 4.42Å; Q308-Q344 HydrophobicContact CG-CG 4.05Å; Q344-Y364 PolarHBondContact N-O 3.31Å; Q344-G365 WeakPolarHBondContact O-CA 3.22Å; Q344-F367 HydrophobicContact CB-CD2 3.6Å; Q344-F367 HydrophobicContact CB-CE2 3.53Å; Q344-F367 HydrophobicContact CG-CE2 4.44Å
345L85.6Confident71Confident17 Ų1765.3 Ų65.39%0.08939%0.386CS..EExtended strand (participates in β ladder)trans-114.3109-173.7-55.4176.6000110.3L294 F306 Y307 I309 L350 Y364L294-L345 HydrophobicContact CD1-CD1 4Å; F306-L345 CarbonylContact C-O 3.57Å; F306-L345 VanDerWaalsContact CA-O 3.23Å; F306-L345 WeakPolarHBondContact CA-O 3.37Å; F306-L345 WeakPolarHBondContact CB-O 3.44Å; Y307-L345 PolarHBondContact N-O 3.28Å; Y307-L345 PolarHBondContact O-N 2.97Å; I309-L345 HydrophobicContact CD1-CD1 3.9Å; I309-L345 HydrophobicContact CD1-CG 4.26Å; L345-L350 HydrophobicContact CB-CD1 4.03Å; L345-L350 HydrophobicContact CB-CD2 4.02Å; L345-L350 HydrophobicContact CB-CG 4.34Å; L345-L350 HydrophobicContact CD1-CD2 4.37Å; L345-Y364 HydrophobicContact CD2-CD1 4.11Å
346G77Confident73.1Confident25 Ų2556.2 Ų56.226%0.25834%0.343SS..EExtended strand (participates in β ladder)trans-71.7132.1178.700000113Q348 S349 L350G346-Q348 PolarHBondContact O-N 3.01Å; G346-S349 PolarHBondContact O-N 3.28Å; G346-S349 VanDerWaalsContact O-N 3.15Å; G346-S349 PolarHBondContact O-OG 2.95Å; G346-S349 VanDerWaalsContact O-OG 3.06Å; G346-L350 VanDerWaalsContact O-CG 3.23Å; G346-L350 WeakPolarHBondContact O-CG 3.15Å; G346-L350 PolarHBondContact O-N 2.94Å
347V75.8Confident75.2Confident18 Ų1854 Ų5411%0.10933%0.326CS..THydrogen-bonded Turntrans-60.9-31-177.8175.90000113.2I304 S305 Y307I304-V347 HydrophobicContact CB-CG2 4.14Å; I304-V347 HydrophobicContact CG2-CG2 3.59Å; S305-V347 PolarHBondContact O-N 2.84Å; Y307-V347 HydrophobicContact CD2-CG2 4.23Å; Y307-V347 HydrophobicContact CE2-CG2 3.83Å
348Q68.1Low76.9Confident196 Ų19650.3 Ų50.392%0.91630%0.302SS*.THydrogen-bonded Turntrans-74.1-27.5-179.7-65.1-176.23.300113.4G346G346-Q348 PolarHBondContact O-N 3.01Å
349S63.7Low78.1Confident105 Ų10546.9 Ų46.973%0.73428%0.275SS*.THydrogen-bonded Turntrans-95.9-5.4-179.853.30000113.4G346G346-S349 PolarHBondContact O-N 3.28Å; G346-S349 VanDerWaalsContact O-N 3.15Å; G346-S349 PolarHBondContact O-OG 2.95Å; G346-S349 VanDerWaalsContact O-OG 3.06Å
350L69.4Low78.6Confident25 Ų2546.3 Ų46.313%0.13127%0.274CS..  trans-79.8131178.7-75.8166.4000111.4Y307 L345 G346 V354Y307-L350 HydrophobicContact CD2-CD1 3.65Å; Y307-L350 HydrophobicContact CE2-CD1 3.88Å; L345-L350 HydrophobicContact CB-CD1 4.03Å; L345-L350 HydrophobicContact CB-CD2 4.02Å; L345-L350 HydrophobicContact CB-CG 4.34Å; L345-L350 HydrophobicContact CD1-CD2 4.37Å; G346-L350 VanDerWaalsContact O-CG 3.23Å; G346-L350 WeakPolarHBondContact O-CG 3.15Å; G346-L350 PolarHBondContact O-N 2.94Å; L350-V354 HydrophobicContact CB-CG2 4.24Å; L350-V354 HydrophobicContact CD2-CB 3.75Å; L350-V354 HydrophobicContact CD2-CG1 3.75Å; L350-V354 HydrophobicContact CD2-CG2 3.32Å; L350-V354 HydrophobicContact CG-CG2 4.39Å
351G64.9Low78.8Confident43 Ų4345.1 Ų45.144%0.44328%0.278SS..  trans-68.3-177.1169.200000113.2E353G351-E353 VanDerWaalsContact C-N 3.31Å; G351-E353 PolarHBondContact O-N 3.38Å
352A65.7Low78.9Confident81 Ų8147.6 Ų47.667%0.66929%0.294SS*.SBendtrans-63-35.6-178.900000113.3R296R296-A352 PolarHBondContact N-O 3.45Å
353E70Confident78.9Confident99 Ų9952.9 Ų52.946%0.46332%0.322SS..EExtended strand (participates in β ladder)trans-134.1136.7170.2-67.7-167.917900109.1R293 L294 G351R293-E353 IonicContact CZ-OE2 3.33Å; R293-E353 IonicContact NH2-OE1 2.79Å; R293-E353 IonicContact NH2-OE2 2.99Å; R293-E353 PolarHBondContact NH2-OE2 2.72Å; L294-E353 WeakPolarHBondContact O-CA 3.5Å; G351-E353 VanDerWaalsContact C-N 3.31Å; G351-E353 PolarHBondContact O-N 3.38Å
354V76.4Confident78.7Confident30 Ų3055.3 Ų55.318%0.18233%0.331CS..EExtended strand (participates in β ladder)trans-126.5129.9177.4174.80000110R293 L294 L350R293-V354 WeakPolarHBondContact CA-O 3.07Å; L294-V354 PolarHBondContact N-O 2.75Å; L294-V354 PolarHBondContact O-N 2.82Å; L350-V354 HydrophobicContact CB-CG2 4.24Å; L350-V354 HydrophobicContact CD2-CB 3.75Å; L350-V354 HydrophobicContact CD2-CG1 3.75Å; L350-V354 HydrophobicContact CD2-CG2 3.32Å; L350-V354 HydrophobicContact CG-CG2 4.39Å
355N83.1Confident78.2Confident98 Ų9855.6 Ų55.652%0.52435%0.348SS..EExtended strand (participates in β ladder)trans-103.9121.6176.7-61.9-19.4000108T291 L292T291-N355 HydrophobicContact CG2-CB 4.01Å; L292-N355 CarbonylContact O-C 3.52Å; L292-N355 WeakPolarHBondContact O-CA 2.94Å
356F84.7Confident77.9Confident1 Ų157.7 Ų57.70%0.00437%0.374CS..EExtended strand (participates in β ladder)trans-124.6123.6179.1168.8-98.5000109.4T291 L292 I309 T342 A343 V358 Y364T291-F356 CarbonylContact C-O 3.54Å; T291-F356 VanDerWaalsContact CA-O 3.29Å; T291-F356 WeakPolarHBondContact CA-O 3.17Å; L292-F356 HydrophobicContact CB-CB 4.36Å; L292-F356 HydrophobicContact CB-CD1 4.27Å; L292-F356 PolarHBondContact N-O 2.93Å; L292-F356 PolarHBondContact O-N 2.87Å; I309-F356 HydrophobicContact CB-CE1 4.07Å; I309-F356 HydrophobicContact CB-CZ 4.42Å; I309-F356 HydrophobicContact CD1-CD1 4.12Å; I309-F356 HydrophobicContact CD1-CE1 4.07Å; I309-F356 HydrophobicContact CD1-CG 4.42Å; I309-F356 HydrophobicContact CD1-CZ 4.36Å; I309-F356 HydrophobicContact CG1-CD1 4.29Å; I309-F356 HydrophobicContact CG1-CE1 4.06Å; I309-F356 HydrophobicContact CG2-CE1 3.85Å; I309-F356 HydrophobicContact CG2-CZ 4.47Å; T342-F356 HydrophobicContact CG2-CE1 4.34Å; T342-F356 HydrophobicContact CG2-CZ 3.81Å; A343-F356 HydrophobicContact CB-CD2 4.12Å; A343-F356 HydrophobicContact CB-CE2 3.39Å; A343-F356 HydrophobicContact CB-CZ 3.68Å; F356-V358 HydrophobicContact CD1-CG2 4.33Å; F356-V358 HydrophobicContact CE1-CG2 3.67Å; F356-V358 HydrophobicContact CZ-CG2 4.45Å; F356-Y364 HydrophobicContact CD2-CD1 4.11Å; F356-Y364 AromaticContact CD2-CD2 3.93Å; F356-Y364 HydrophobicContact CD2-CD2 3.93Å; F356-Y364 AromaticContact CD2-CE1 3.98Å; F356-Y364 HydrophobicContact CD2-CE1 3.98Å; F356-Y364 AromaticContact CD2-CE2 3.77Å; F356-Y364 HydrophobicContact CD2-CE2 3.77Å; F356-Y364 HydrophobicContact CD2-CG 4.08Å; F356-Y364 AromaticContact CD2-CZ 3.8Å; F356-Y364 HydrophobicContact CE2-CD1 4.43Å; F356-Y364 AromaticContact CE2-CD2 3.5Å; F356-Y364 HydrophobicContact CE2-CD2 3.5Å; F356-Y364 AromaticContact CE2-CE2 3.58Å; F356-Y364 HydrophobicContact CE2-CE2 3.58Å; F356-Y364 AromaticContact CE2-CG 3.94Å; F356-Y364 HydrophobicContact CE2-CG 3.94Å
357T86.8Confident78.2Confident42 Ų4258.1 Ų58.126%0.25837%0.368SS..EExtended strand (participates in β ladder)trans-110126.7-175.9-61.40000109.6V289 T291 D360 N369V289-T357 HydrophobicContact CB-CG2 4.3Å; V289-T357 HydrophobicContact CG1-CG2 3.41Å; V289-T357 VanDerWaalsContact CG1-CG2 3.41Å; T291-T357 WeakPolarHBondContact CG2-OG1 3.35Å; T291-T357 PolarHBondContact OG1-OG1 2.92Å; T357-D360 HydrophobicContact CG2-CB 4.31Å; T357-N369 PolarHBondContact O-ND2 3.47Å
358V87.7Confident78.5Confident0 Ų063.5 Ų63.50%039%0.388CS..THydrogen-bonded Turntrans-80.1122.9-172.4-179.70000113.1V289 P290 V311 F356 L372 I380 W399V289-V358 HydrophobicContact CG1-CB 4.36Å; V289-V358 WeakPolarHBondContact CG1-O 3.29Å; P290-V358 HydrophobicContact CG-CG2 4.44Å; P290-V358 PolarHBondContact O-N 2.77Å; V311-V358 HydrophobicContact CG2-CG1 3.75Å; F356-V358 HydrophobicContact CD1-CG2 4.33Å; F356-V358 HydrophobicContact CE1-CG2 3.67Å; F356-V358 HydrophobicContact CZ-CG2 4.45Å; V358-L372 HydrophobicContact CG1-CD1 4.11Å; V358-L372 HydrophobicContact CG1-CD2 4.23Å; V358-L372 HydrophobicContact CG1-CG 4.37Å; V358-I380 HydrophobicContact CB-CD1 4.24Å; V358-I380 HydrophobicContact CG1-CD1 4.14Å; V358-I380 HydrophobicContact CG1-CG1 4.37Å; V358-I380 HydrophobicContact CG2-CD1 3.87Å; V358-I380 HydrophobicContact CG2-CG1 4.44Å; V358-I380 HydrophobicContact CG2-CG2 4.22Å; V358-W399 HydrophobicContact CG2-CH2 4.01Å; V358-W399 HydrophobicContact CG2-CZ3 3.51Å
359G83.7Confident79.4Confident13 Ų1354.1 Ų54.113%0.13434%0.344CS..THydrogen-bonded Turntrans80.128.2-179.700000114G361 N369 A370 P371G359-G361 VanDerWaalsContact C-N 3.25Å; G359-G361 PolarHBondContact O-N 3.28Å; G359-N369 WeakPolarHBondContact CA-OD1 3.43Å; G359-N369 PolarHBondContact N-ND2 3Å; G359-N369 VanDerWaalsContact N-ND2 3.12Å; G359-N369 PolarHBondContact N-OD1 2.98Å; G359-A370 VanDerWaalsContact CA-O 3.24Å; G359-A370 WeakPolarHBondContact CA-O 3.39Å; G359-P371 WeakPolarHBondContact O-CA 3.4Å
360D85Confident80.3Confident56 Ų5650.5 Ų50.530%0.29932%0.321SS..SBendtrans-79-3175.167.12000113.7T357 V362 Y364 N369T357-D360 HydrophobicContact CG2-CB 4.31Å; D360-V362 HydrophobicContact CB-CG2 4.39Å; D360-V362 PolarHBondContact O-N 3.27Å; D360-V362 WeakPolarHBondContact OD1-CB 3.1Å; D360-V362 PolarHBondContact OD1-N 3.03Å; D360-Y364 WeakPolarHBondContact OD2-CE2 3.07Å; D360-Y364 PolarHBondContact OD2-OH 2.02Å; D360-N369 PolarHBondContact N-ND2 3.14Å; D360-N369 PolarHBondContact OD1-ND2 3.44Å
361G83Confident81Confident28 Ų2852.9 Ų52.929%0.28934%0.338SS..  trans74.96.8-178.200000114.4G359 Y368 N369G359-G361 VanDerWaalsContact C-N 3.25Å; G359-G361 PolarHBondContact O-N 3.28Å; G361-Y368 VanDerWaalsContact O-CE2 3.28Å; G361-Y368 WeakPolarHBondContact O-CE2 3.25Å; G361-N369 WeakPolarHBondContact CA-O 3.32Å; G361-N369 PolarHBondContact N-O 2.72Å
362V85.9Confident81.7Confident70 Ų7052.7 Ų52.742%0.42433%0.326SS..  trans-90.4153.3-177.5-178.40000110.8D360 Y364 N369D360-V362 HydrophobicContact CB-CG2 4.39Å; D360-V362 PolarHBondContact O-N 3.27Å; D360-V362 WeakPolarHBondContact OD1-CB 3.1Å; D360-V362 PolarHBondContact OD1-N 3.03Å; V362-Y364 HydrophobicContact CB-CD2 4.31Å; V362-Y364 HydrophobicContact CB-CE2 3.66Å; V362-Y364 HydrophobicContact CG1-CD2 4.38Å; V362-Y364 HydrophobicContact CG1-CE2 3.92Å; V362-N369 WeakPolarHBondContact O-CB 3.49Å; V362-N369 PolarHBondContact O-N 3.41Å; V362-N369 VanDerWaalsContact O-N 3.08Å
363L84.9Confident82.3Confident112 Ų11255.2 Ų55.259%0.58632%0.324SS*.EExtended strand (participates in β ladder)trans-96.6115.3-178.3-142.8149000110.1G366 F367L363-G366 VanDerWaalsContact CD2-CA 3.42Å; L363-F367 CarbonylContact C-O 3.6Å; L363-F367 VanDerWaalsContact CA-O 3.32Å; L363-F367 WeakPolarHBondContact CA-O 3.06Å
364Y83.4Confident82.3Confident50 Ų5056.4 Ų56.420%0.19634%0.343CS..EExtended strand (participates in β ladder)trans-114.9108.8-176.2-69.2-85.2000111.1A343 Q344 L345 F356 D360 V362 G366 F367 N369A343-Y364 VanDerWaalsContact CB-CB 3.48Å; A343-Y364 HydrophobicContact CB-CD2 4.4Å; A343-Y364 HydrophobicContact CB-CG 4.12Å; Q344-Y364 PolarHBondContact N-O 3.31Å; L345-Y364 HydrophobicContact CD2-CD1 4.11Å; F356-Y364 HydrophobicContact CD2-CD1 4.11Å; F356-Y364 AromaticContact CD2-CD2 3.93Å; F356-Y364 HydrophobicContact CD2-CD2 3.93Å; F356-Y364 AromaticContact CD2-CE1 3.98Å; F356-Y364 HydrophobicContact CD2-CE1 3.98Å; F356-Y364 AromaticContact CD2-CE2 3.77Å; F356-Y364 HydrophobicContact CD2-CE2 3.77Å; F356-Y364 HydrophobicContact CD2-CG 4.08Å; F356-Y364 AromaticContact CD2-CZ 3.8Å; F356-Y364 HydrophobicContact CE2-CD1 4.43Å; F356-Y364 AromaticContact CE2-CD2 3.5Å; F356-Y364 HydrophobicContact CE2-CD2 3.5Å; F356-Y364 AromaticContact CE2-CE2 3.58Å; F356-Y364 HydrophobicContact CE2-CE2 3.58Å; F356-Y364 AromaticContact CE2-CG 3.94Å; F356-Y364 HydrophobicContact CE2-CG 3.94Å; D360-Y364 WeakPolarHBondContact OD2-CE2 3.07Å; D360-Y364 PolarHBondContact OD2-OH 2.02Å; V362-Y364 HydrophobicContact CB-CD2 4.31Å; V362-Y364 HydrophobicContact CB-CE2 3.66Å; V362-Y364 HydrophobicContact CG1-CD2 4.38Å; V362-Y364 HydrophobicContact CG1-CE2 3.92Å; Y364-G366 PolarHBondContact O-N 2.97Å; Y364-F367 PolarHBondContact N-O 3Å; Y364-F367 PolarHBondContact O-N 2.78Å; Y364-N369 HydrophobicContact CD2-CB 4.22Å; Y364-N369 HydrophobicContact CE2-CB 4.39Å
365G76.6Confident82Confident58 Ų5856.4 Ų56.460%0.59835%0.35SS*.THydrogen-bonded Turntrans60.930.7176.800000114.2Q344Q344-G365 WeakPolarHBondContact O-CA 3.22Å
366G79.9Confident81.7Confident61 Ų6154.4 Ų54.463%0.62934%0.339SS*.THydrogen-bonded Turntrans97.5-5.6-179.800000115.1L363 Y364L363-G366 VanDerWaalsContact CD2-CA 3.42Å; Y364-G366 PolarHBondContact O-N 2.97Å
367F83.5Confident81.4Confident34 Ų3456.2 Ų56.215%0.14935%0.35CS..EExtended strand (participates in β ladder)trans-108139.8-178.3-61.5-83.2000111.7L328 L341 T342 Q344 L363 Y364L328-F367 HydrophobicContact CD2-CE1 4.37Å; L328-F367 HydrophobicContact CD2-CZ 4.28Å; L341-F367 HydrophobicContact CB-CD1 4.12Å; L341-F367 HydrophobicContact CB-CE1 4.41Å; L341-F367 HydrophobicContact CD2-CD1 3.65Å; L341-F367 HydrophobicContact CD2-CD2 4.06Å; L341-F367 HydrophobicContact CD2-CE1 3.33Å; L341-F367 HydrophobicContact CD2-CE2 3.77Å; L341-F367 HydrophobicContact CD2-CG 4.01Å; L341-F367 HydrophobicContact CD2-CZ 3.39Å; L341-F367 HydrophobicContact CG-CD1 3.72Å; L341-F367 HydrophobicContact CG-CD2 4.29Å; L341-F367 HydrophobicContact CG-CE1 3.96Å; L341-F367 HydrophobicContact CG-CE2 4.49Å; L341-F367 HydrophobicContact CG-CG 3.91Å; L341-F367 HydrophobicContact CG-CZ 4.34Å; T342-F367 CarbonylContact O-C 3.59Å; T342-F367 WeakPolarHBondContact O-CB 3.39Å; Q344-F367 HydrophobicContact CB-CD2 3.6Å; Q344-F367 HydrophobicContact CB-CE2 3.53Å; Q344-F367 HydrophobicContact CG-CE2 4.44Å; L363-F367 CarbonylContact C-O 3.6Å; L363-F367 VanDerWaalsContact CA-O 3.32Å; L363-F367 WeakPolarHBondContact CA-O 3.06Å; Y364-F367 PolarHBondContact N-O 3Å; Y364-F367 PolarHBondContact O-N 2.78Å
368Y82.6Confident81.3Confident131 Ų13154.9 Ų54.951%0.51434%0.34SS..EExtended strand (participates in β ladder)trans-90.1121.8-178.2178.3-111.5000111.2G361 A370G361-Y368 VanDerWaalsContact O-CE2 3.28Å; G361-Y368 WeakPolarHBondContact O-CE2 3.25Å; Y368-A370 HydrophobicContact CD1-CB 4.11Å; Y368-A370 HydrophobicContact CE1-CB 3.98Å; Y368-A370 PolarHBondContact O-N 2.89Å; Y368-A370 VanDerWaalsContact O-N 3.09Å
369N86.7Confident81.2Confident0 Ų057.7 Ų57.70%035%0.353CS..  trans-84.380.5179.8-170.714.5000111.9T342 T357 G359 D360 G361 V362 Y364T342-N369 VanDerWaalsContact OG1-CA 3.26Å; T342-N369 WeakPolarHBondContact OG1-CA 3.34Å; T342-N369 VanDerWaalsContact OG1-CB 3.22Å; T342-N369 WeakPolarHBondContact OG1-CB 3.19Å; T342-N369 PolarHBondContact OG1-OD1 2.74Å; T357-N369 PolarHBondContact O-ND2 3.47Å; G359-N369 WeakPolarHBondContact CA-OD1 3.43Å; G359-N369 PolarHBondContact N-ND2 3Å; G359-N369 VanDerWaalsContact N-ND2 3.12Å; G359-N369 PolarHBondContact N-OD1 2.98Å; D360-N369 PolarHBondContact N-ND2 3.14Å; D360-N369 PolarHBondContact OD1-ND2 3.44Å; G361-N369 WeakPolarHBondContact CA-O 3.32Å; G361-N369 PolarHBondContact N-O 2.72Å; V362-N369 WeakPolarHBondContact O-CB 3.49Å; V362-N369 PolarHBondContact O-N 3.41Å; V362-N369 VanDerWaalsContact O-N 3.08Å; Y364-N369 HydrophobicContact CD2-CB 4.22Å; Y364-N369 HydrophobicContact CE2-CB 4.39Å
370A82.4Confident81.4Confident29 Ų2957 Ų5724%0.2435%0.346CS..PPolyproline II helixtrans-59133.7-174.900000112.9Y340 G359 Y368 L372Y340-A370 HydrophobicContact CE2-CB 4.04Å; Y340-A370 PolarHBondContact OH-O 2.87Å; G359-A370 VanDerWaalsContact CA-O 3.24Å; G359-A370 WeakPolarHBondContact CA-O 3.39Å; Y368-A370 HydrophobicContact CD1-CB 4.11Å; Y368-A370 HydrophobicContact CE1-CB 3.98Å; Y368-A370 PolarHBondContact O-N 2.89Å; Y368-A370 VanDerWaalsContact O-N 3.09Å; A370-L372 PolarHBondContact O-N 3.44Å
371P83.6Confident81.4Confident75 Ų7554.9 Ų54.949%0.48734%0.335SS..PPolyproline II helixtrans-55.9136.1175.2-26.334.7000113G359G359-P371 WeakPolarHBondContact O-CA 3.4Å
372L80.8Confident81.6Confident39 Ų3953.5 Ų53.520%0.20432%0.321CS..PPolyproline II helixtrans-71.4132.6178-59.7178.6000110.4V311 V358 A370 Y378 V402V311-L372 HydrophobicContact CG1-CD2 3.89Å; V358-L372 HydrophobicContact CG1-CD1 4.11Å; V358-L372 HydrophobicContact CG1-CD2 4.23Å; V358-L372 HydrophobicContact CG1-CG 4.37Å; A370-L372 PolarHBondContact O-N 3.44Å; L372-Y378 HydrophobicContact CB-CD2 4.27Å; L372-Y378 HydrophobicContact CB-CE2 3.94Å; L372-Y378 HydrophobicContact CD1-CD2 4.45Å; L372-Y378 HydrophobicContact CD2-CD1 4.01Å; L372-Y378 HydrophobicContact CD2-CD2 3.95Å; L372-Y378 HydrophobicContact CD2-CE1 4.14Å; L372-Y378 HydrophobicContact CD2-CE2 4.09Å; L372-Y378 HydrophobicContact CD2-CG 3.9Å; L372-Y378 HydrophobicContact CG-CD2 4.45Å; L372-V402 HydrophobicContact CD1-CB 4.42Å; L372-V402 HydrophobicContact CD1-CG1 4.18Å; L372-V402 HydrophobicContact CD1-CG2 4.31Å
373Q76.8Confident81.7Confident133 Ų13350.8 Ų50.862%0.62130%0.303SS*.PPolyproline II helixtrans-78.3138.1179.5-61.1-176.6-4.200111.1G375 N376 Y378Q373-G375 PolarHBondContact O-N 3.27Å; Q373-N376 PolarHBondContact OE1-ND2 2.86Å; Q373-Y378 WeakPolarHBondContact CB-OH 3.33Å; Q373-Y378 PolarHBondContact N-OH 2.73Å
374S69.9Low81.7Confident124 Ų12445.5 Ų45.587%0.86728%0.275SS*.THydrogen-bonded Turntrans-68129.2176.9-176.50000110.8
375G71.1Confident81.5Confident31 Ų3143.4 Ų43.432%0.3227%0.268SS..THydrogen-bonded Turntrans99.7-10.817800000115.3Q373Q373-G375 PolarHBondContact O-N 3.27Å
376N76.8Confident81.7Confident55 Ų5540.6 Ų40.629%0.29424%0.239SC..  trans-95.1150.7175.4-67.6-10.7000111.1Q373 Y378 G404Q373-N376 PolarHBondContact OE1-ND2 2.86Å; N376-Y378 HydrophobicContact CB-CD2 4.43Å; N376-Y378 HydrophobicContact CB-CE2 3.61Å; N376-G404 WeakPolarHBondContact O-CA 3.46Å; N376-G404 PolarHBondContact O-N 2.59Å
377T78.6Confident81.4Confident39 Ų3944.5 Ų44.524%0.23924%0.235CC..EExtended strand (participates in β ladder)trans-98.1134.1172.6-61.90000109.7V314 K401 V402V314-T377 HydrophobicContact CB-CG2 4.4Å; V314-T377 HydrophobicContact CG2-CG2 4.25Å; V314-T377 PolarHBondContact N-O 2.77Å; T377-K401 HydrophobicContact CG2-CG 4.15Å; T377-V402 CarbonylContact C-O 3.43Å; T377-V402 VanDerWaalsContact CA-O 3.3Å; T377-V402 WeakPolarHBondContact CA-O 3.49Å
378Y84.4Confident80.5Confident14 Ų1447.6 Ų47.66%0.05525%0.246CC..EExtended strand (participates in β ladder)trans-124.6135.5-179.6-60.1-86.6000111.1V311 L312 P313 L372 Q373 N376 K401 V402V311-Y378 HydrophobicContact CG1-CD1 3.63Å; V311-Y378 HydrophobicContact CG1-CE1 4.4Å; V311-Y378 HydrophobicContact CG1-CG 4.2Å; L312-Y378 CarbonylContact O-C 3.54Å; L312-Y378 VanDerWaalsContact O-CA 3.26Å; L312-Y378 WeakPolarHBondContact O-CA 3.49Å; P313-Y378 HydrophobicContact CB-CD1 3.98Å; P313-Y378 HydrophobicContact CB-CE1 3.81Å; L372-Y378 HydrophobicContact CB-CD2 4.27Å; L372-Y378 HydrophobicContact CB-CE2 3.94Å; L372-Y378 HydrophobicContact CD1-CD2 4.45Å; L372-Y378 HydrophobicContact CD2-CD1 4.01Å; L372-Y378 HydrophobicContact CD2-CD2 3.95Å; L372-Y378 HydrophobicContact CD2-CE1 4.14Å; L372-Y378 HydrophobicContact CD2-CE2 4.09Å; L372-Y378 HydrophobicContact CD2-CG 3.9Å; L372-Y378 HydrophobicContact CG-CD2 4.45Å; Q373-Y378 WeakPolarHBondContact CB-OH 3.33Å; Q373-Y378 PolarHBondContact N-OH 2.73Å; N376-Y378 HydrophobicContact CB-CD2 4.43Å; N376-Y378 HydrophobicContact CB-CE2 3.61Å; Y378-K401 CarbonylContact O-C 3.52Å; Y378-K401 WeakPolarHBondContact O-CA 3.26Å; Y378-V402 PolarHBondContact N-O 2.92Å; Y378-V402 PolarHBondContact O-N 2.82Å
379F85.4Confident79.8Confident59 Ų5949.4 Ų49.426%0.25926%0.256SS..EExtended strand (participates in β ladder)trans-99138.3162.7-72.7-69.1000110.1L312 V314 L398 K401L312-F379 HydrophobicContact CB-CB 4.21Å; L312-F379 HydrophobicContact CD1-CB 4.37Å; L312-F379 PolarHBondContact N-O 3Å; L312-F379 PolarHBondContact O-N 3.36Å; V314-F379 HydrophobicContact CG1-CE2 4.44Å; V314-F379 HydrophobicContact CG2-CD2 3.18Å; V314-F379 HydrophobicContact CG2-CE2 3.41Å; V314-F379 VanDerWaalsContact CG2-CE2 3.41Å; V314-F379 HydrophobicContact CG2-CG 4.23Å; F379-L398 HydrophobicContact CB-CD1 3.96Å; F379-L398 HydrophobicContact CD1-CD1 3.84Å; F379-L398 HydrophobicContact CD1-CD2 4.22Å; F379-L398 HydrophobicContact CE1-CD2 4.39Å; F379-L398 HydrophobicContact CG-CD1 4.22Å; F379-K401 HydrophobicContact CD1-CB 3.84Å; F379-K401 HydrophobicContact CD1-CD 4.49Å; F379-K401 HydrophobicContact CD1-CG 3.93Å; F379-K401 HydrophobicContact CE1-CB 3.76Å; F379-K401 HydrophobicContact CE1-CD 3.67Å; F379-K401 HydrophobicContact CE1-CG 3.59Å; F379-K401 HydrophobicContact CZ-CD 4.02Å; F379-K401 HydrophobicContact CZ-CG 4.19Å
380I87.3Confident78.6Confident0 Ų056.4 Ų56.40%030%0.299CS..EExtended strand (participates in β ladder)trans-113.4117.8179-54.4154.9000108.2P290 I309 F310 V358 W399 A400 V402P290-I380 HydrophobicContact CG-CD1 3.55Å; I309-I380 HydrophobicContact CG2-CG2 3.59Å; F310-I380 WeakPolarHBondContact O-CA 3.3Å; V358-I380 HydrophobicContact CB-CD1 4.24Å; V358-I380 HydrophobicContact CG1-CD1 4.14Å; V358-I380 HydrophobicContact CG1-CG1 4.37Å; V358-I380 HydrophobicContact CG2-CD1 3.87Å; V358-I380 HydrophobicContact CG2-CG1 4.44Å; V358-I380 HydrophobicContact CG2-CG2 4.22Å; I380-W399 HydrophobicContact CB-CE3 4.06Å; I380-W399 HydrophobicContact CB-CZ3 4.48Å; I380-W399 HydrophobicContact CD1-CE3 4.5Å; I380-W399 HydrophobicContact CD1-CZ3 4.23Å; I380-W399 HydrophobicContact CG2-CE3 3.44Å; I380-W399 VanDerWaalsContact CG2-CE3 3.44Å; I380-W399 HydrophobicContact CG2-CZ3 3.77Å; I380-W399 PolarHBondContact O-N 2.64Å; I380-A400 HydrophobicContact CB-CB 4.4Å; I380-A400 HydrophobicContact CD1-CB 3.87Å; I380-A400 PolarHBondContact N-O 2.73Å; I380-A400 PolarHBondContact O-N 3.17Å; I380-V402 HydrophobicContact CD1-CG2 3.77Å
381V86.4Confident77.4Confident10 Ų1059.4 Ų59.46%0.06131%0.309CS..EExtended strand (participates in β ladder)trans-110.2128.3-178.5-179.60000109.4F310 L312 F320 C396 L398F310-V381 HydrophobicContact CB-CB 4.38Å; F310-V381 PolarHBondContact N-O 3.12Å; F310-V381 PolarHBondContact O-N 3.23Å; L312-V381 HydrophobicContact CD1-CG2 3.64Å; F320-V381 HydrophobicContact CD1-CG1 3.96Å; F320-V381 HydrophobicContact CD1-CG2 4.45Å; F320-V381 HydrophobicContact CE1-CB 4.31Å; F320-V381 HydrophobicContact CE1-CG1 3.58Å; F320-V381 HydrophobicContact CZ-CG1 4.14Å; V381-C396 HydrophobicContact CG1-CB 3.87Å; V381-L398 HydrophobicContact CG2-CD1 3.99Å
382L87.5Confident77Confident0 Ų059.2 Ų59.20%031%0.309CS..EExtended strand (participates in β ladder)trans-97.6123.2173.3178.266.8000109P278 V280 L292 L294 Y307 I309 C396 V397P278-L382 HydrophobicContact CB-CD2 4.09Å; P278-L382 HydrophobicContact CG-CD2 3.55Å; P278-L382 HydrophobicContact CG-CG 4.17Å; V280-L382 HydrophobicContact CG1-CD2 3.83Å; L292-L382 HydrophobicContact CD2-CD1 4.14Å; L292-L382 HydrophobicContact CD2-CD2 4.35Å; L294-L382 HydrophobicContact CD2-CD2 3.98Å; Y307-L382 HydrophobicContact CD1-CD1 4.35Å; I309-L382 HydrophobicContact CD1-CD1 4.47Å; I309-L382 HydrophobicContact CG1-CD1 3.79Å; L382-C396 CarbonylContact O-C 3.56Å; L382-C396 VanDerWaalsContact O-CA 3.3Å; L382-C396 WeakPolarHBondContact O-CA 3.31Å; L382-V397 HydrophobicContact CB-CG1 3.92Å; L382-V397 HydrophobicContact CD2-CG1 4.3Å; L382-V397 HydrophobicContact CG-CG1 4.43Å; L382-V397 PolarHBondContact N-O 2.82Å; L382-V397 PolarHBondContact O-N 3.39Å
383R86Confident76.9Confident13 Ų1362.5 Ų62.55%0.04932%0.319CS..EExtended strand (participates in β ladder)trans-110.5130.2175.8-179.9178.3-169.8-165.810.2110.4Y307 Q308 F310 C322 S323 S324 V385 S394 C395 C396Y307-R383 CarbonylContact C-O 3.48Å; Y307-R383 WeakPolarHBondContact CA-O 3.4Å; Q308-R383 HydrophobicContact CB-CB 4.17Å; Q308-R383 PolarHBondContact N-O 2.83Å; Q308-R383 PolarHBondContact O-N 3.29Å; F310-R383 HydrophobicContact CD2-CB 4.33Å; F310-R383 HydrophobicContact CE2-CB 4.07Å; C322-R383 PolarHBondContact O-NE 3.33Å; C322-R383 PolarHBondContact O-NH2 2.04Å; S323-R383 PolarHBondContact O-NH2 2.95Å; S324-R383 VanDerWaalsContact O-CZ 3.28Å; S324-R383 PolarHBondContact O-NH1 2.86Å; S324-R383 PolarHBondContact O-NH2 3.34Å; R383-V385 HydrophobicContact CG-CG2 3.93Å; R383-S394 PolarHBondContact NE-OG 3.49Å; R383-S394 PolarHBondContact NH2-OG 3.29Å; R383-C395 CarbonylContact C-O 3.57Å; R383-C395 WeakPolarHBondContact CA-O 3.43Å; R383-C396 VanDerWaalsContact CG-SG 3.54Å
384V84.9Confident77.2Confident0 Ų057.3 Ų57.30%030%0.298CS..EExtended strand (participates in β ladder)trans-104.7129.3174.3-171.60000108.3P275 P278 I304 Y307 S394 C395P275-V384 HydrophobicContact CB-CB 4.35Å; P275-V384 HydrophobicContact CB-CG1 3.7Å; P275-V384 HydrophobicContact CG-CB 4.16Å; P275-V384 HydrophobicContact CG-CG1 3.94Å; P275-V384 WeakPolarHBondContact CG-O 3.41Å; P278-V384 HydrophobicContact CB-CG2 4.05Å; P278-V384 VanDerWaalsContact CD-CG2 3.43Å; P278-V384 HydrophobicContact CG-CG2 3.42Å; P278-V384 VanDerWaalsContact CG-CG2 3.42Å; I304-V384 HydrophobicContact CB-CG1 4.19Å; I304-V384 HydrophobicContact CD1-CG1 3.8Å; I304-V384 HydrophobicContact CG1-CG1 3.7Å; I304-V384 HydrophobicContact CG2-CG1 3.43Å; I304-V384 VanDerWaalsContact CG2-CG1 3.43Å; Y307-V384 HydrophobicContact CD1-CB 4.47Å; Y307-V384 HydrophobicContact CD1-CG1 4.35Å; Y307-V384 HydrophobicContact CD1-CG2 3.79Å; Y307-V384 HydrophobicContact CE1-CB 4.48Å; Y307-V384 HydrophobicContact CE1-CG1 4.05Å; Y307-V384 HydrophobicContact CE1-CG2 3.75Å; V384-S394 CarbonylContact O-C 3.6Å; V384-S394 WeakPolarHBondContact O-CA 3.47Å; V384-S394 WeakPolarHBondContact O-CB 3.3Å; V384-C395 PolarHBondContact N-O 2.83Å; V384-C395 PolarHBondContact O-N 2.82Å
385V80.9Confident77.8Confident6 Ų652.8 Ų52.84%0.03627%0.266CS..EExtended strand (participates in β ladder)trans-122.9127.1-176.4-172.80000110.8S305 F306 R383 R387S305-V385 WeakPolarHBondContact CB-O 3.14Å; S305-V385 PolarHBondContact N-O 2.81Å; F306-V385 HydrophobicContact CD2-CB 3.91Å; F306-V385 HydrophobicContact CD2-CG2 4.11Å; F306-V385 HydrophobicContact CE1-CB 4.37Å; F306-V385 HydrophobicContact CE1-CG1 4.18Å; F306-V385 HydrophobicContact CE2-CB 3.5Å; F306-V385 HydrophobicContact CE2-CG1 3.81Å; F306-V385 HydrophobicContact CE2-CG2 3.61Å; F306-V385 HydrophobicContact CZ-CB 3.76Å; F306-V385 HydrophobicContact CZ-CG1 3.55Å; F306-V385 HydrophobicContact CZ-CG2 4.25Å; F306-V385 PolarHBondContact N-O 2.73Å; F306-V385 PolarHBondContact O-N 3.24Å; R383-V385 HydrophobicContact CG-CG2 3.93Å; V385-R387 HydrophobicContact CG1-CB 4.33Å
386S79.6Confident78.6Confident0 Ų052.9 Ų52.90%026%0.261CS..EExtended strand (participates in β ladder)trans-100.4111164.6-59.60000107.8P275 P303 S392 R393P275-S386 WeakPolarHBondContact CB-OG 3.25Å; P275-S386 WeakPolarHBondContact CD-OG 3.42Å; P275-S386 WeakPolarHBondContact CG-OG 3.46Å; P303-S386 VanDerWaalsContact O-CA 3.32Å; P303-S386 WeakPolarHBondContact O-CA 3.34Å; P303-S386 WeakPolarHBondContact O-CB 3.38Å; P303-S386 PolarHBondContact O-OG 2.78Å; P303-S386 VanDerWaalsContact O-OG 3.04Å; S386-S392 CarbonylContact O-C 3.6Å; S386-S392 VanDerWaalsContact O-CA 3.3Å; S386-S392 WeakPolarHBondContact O-CA 3.4Å; S386-R393 PolarHBondContact N-O 3.37Å; S386-R393 PolarHBondContact O-N 2.83Å
387R74.1Confident79Confident142 Ų14251.9 Ų51.954%0.53626%0.257SS..EExtended strand (participates in β ladder)trans-119.5129-178.2-173.7173.670.1179.40.2110.8S305 F306 V385S305-R387 PolarHBondContact OG-N 3.23Å; S305-R387 PolarHBondContact OG-O 3.09Å; F306-R387 HydrophobicContact CE1-CB 3.92Å; F306-R387 HydrophobicContact CZ-CB 4.42Å; V385-R387 HydrophobicContact CG1-CB 4.33Å
388W65.4Low79.3Confident100 Ų10053.5 Ų53.538%0.37926%0.263SS..EExtended strand (participates in β ladder)trans-135.2117.3172.7-174.3-101000111.1Y220 L248 L272 T390 M391Y220-W388 HydrophobicContact CD1-CZ2 4.43Å; Y220-W388 HydrophobicContact CD2-CH2 4.08Å; Y220-W388 AromaticContact CD2-CZ2 3.72Å; Y220-W388 HydrophobicContact CD2-CZ2 3.72Å; Y220-W388 HydrophobicContact CE1-CZ2 4.19Å; Y220-W388 AromaticContact CE2-CH2 3.63Å; Y220-W388 HydrophobicContact CE2-CH2 3.63Å; Y220-W388 AromaticContact CE2-CZ2 3.42Å; Y220-W388 HydrophobicContact CE2-CZ2 3.42Å; Y220-W388 VanDerWaalsContact CE2-CZ2 3.42Å; Y220-W388 HydrophobicContact CG-CZ2 4.21Å; Y220-W388 AromaticContact CZ-CZ2 3.66Å; L248-W388 HydrophobicContact CD1-CB 3.73Å; L248-W388 VanDerWaalsContact CD1-CD1 3.44Å; L248-W388 HydrophobicContact CD1-CD2 3.73Å; L248-W388 HydrophobicContact CD1-CE3 4.48Å; L248-W388 HydrophobicContact CD1-CG 3.33Å; L272-W388 HydrophobicContact CD2-CB 4.4Å; W388-T390 PolarHBondContact O-N 3.16Å; W388-T390 VanDerWaalsContact O-N 3.14Å; W388-M391 PolarHBondContact N-O 3.34Å; W388-M391 PolarHBondContact O-N 3.42Å
389K66.8Low79.4Confident169 Ų16953.5 Ų53.574%0.73526%0.263SS*.THydrogen-bonded Turntrans50.2-115.5-171.6-62.3-177175.8-176.90110.9
390T61.6Low79.4Confident146 Ų14650.7 Ų50.790%0.89625%0.251SS*.THydrogen-bonded Turntrans-92.4-6.3178.351.80000113.7W388W388-T390 PolarHBondContact O-N 3.16Å; W388-T390 VanDerWaalsContact O-N 3.14Å
391M57.7Low79.3Confident93 Ų9353.4 Ų53.446%0.45826%0.263SS..EExtended strand (participates in β ladder)trans-101.2124.8-174.9-160.9169.4177.700110.1L272 W388L272-M391 HydrophobicContact CD2-CG 4.48Å; W388-M391 PolarHBondContact N-O 3.34Å; W388-M391 PolarHBondContact O-N 3.42Å
392S75.3Confident79.2Confident70 Ų7053.6 Ų53.649%0.4926%0.264SS..EExtended strand (participates in β ladder)trans-129.5139.8176.855.10000111.4S386S386-S392 CarbonylContact O-C 3.6Å; S386-S392 VanDerWaalsContact O-CA 3.3Å; S386-S392 WeakPolarHBondContact O-CA 3.4Å
393R78.2Confident78.7Confident109 Ų10955 Ų5541%0.41128%0.275SS..EExtended strand (participates in β ladder)trans-120.9141.3165.7-68-130.7-177.5-178.20.8109.1L272 V274 S386L272-R393 HydrophobicContact CD2-CG 4.44Å; L272-R393 PolarHBondContact O-NE 2.88Å; V274-R393 HydrophobicContact CG2-CB 4.37Å; V274-R393 VanDerWaalsContact CG2-CD 3.49Å; S386-R393 PolarHBondContact N-O 3.37Å; S386-R393 PolarHBondContact O-N 2.83Å
394S82.6Confident77.8Confident24 Ų2455.5 Ų55.517%0.16829%0.285CS..EExtended strand (participates in β ladder)trans-132.8154-179.152.70000112.6C322 R383 V384C322-S394 PolarHBondContact O-OG 2.94Å; R383-S394 PolarHBondContact NE-OG 3.49Å; R383-S394 PolarHBondContact NH2-OG 3.29Å; V384-S394 CarbonylContact O-C 3.6Å; V384-S394 WeakPolarHBondContact O-CA 3.47Å; V384-S394 WeakPolarHBondContact O-CB 3.3Å
395C83.9Confident76.7Confident29 Ų2957.6 Ų57.620%0.19630%0.298CS..EExtended strand (participates in β ladder)trans-133144.3170.9-175.60000108.2V274 P275 R383 V384V274-C395 HydrophobicContact CG1-CB 3.95Å; P275-C395 HydrophobicContact CG-CB 4.37Å; R383-C395 CarbonylContact C-O 3.57Å; R383-C395 WeakPolarHBondContact CA-O 3.43Å; V384-C395 PolarHBondContact N-O 2.83Å; V384-C395 PolarHBondContact O-N 2.82Å
396C86.6Confident75.5Confident32 Ų3259.2 Ų59.222%0.21631%0.309CS..EExtended strand (participates in β ladder)trans-126.2147.4-177.3-55.80000110.4F320 C322 V381 L382 R383F320-C396 HydrophobicContact CE1-CB 4.18Å; C322-C396 WeakPolarHBondContact CA-SG 3.44Å; C322-C396 HydrophobicContact CB-CB 3.7Å; C322-C396 WeakPolarHBondContact CB-SG 3.29Å; C322-C396 VanDerWaalsContact SG-CA 3.6Å; C322-C396 WeakPolarHBondContact SG-CB 3.35Å; C322-C396 PolarHBondContact SG-N 3.5Å; C322-C396 CovalentContact SG-SG 2.02Å; C322-C396 PolarHBondContact SG-SG 2.8Å; V381-C396 HydrophobicContact CG1-CB 3.87Å; L382-C396 CarbonylContact O-C 3.56Å; L382-C396 VanDerWaalsContact O-CA 3.3Å; L382-C396 WeakPolarHBondContact O-CA 3.31Å; R383-C396 VanDerWaalsContact CG-SG 3.54Å
397V86.8Confident74.5Confident35 Ų3568.3 Ų68.321%0.21235%0.345CS..EExtended strand (participates in β ladder)trans-137.3137.4175.165.30000109.3P278 V280 L382 W399P278-V397 HydrophobicContact CG-CG1 3.63Å; V280-V397 HydrophobicContact CG2-CB 4.23Å; V280-V397 HydrophobicContact CG2-CG1 3.52Å; V280-V397 HydrophobicContact CG2-CG2 3.61Å; L382-V397 HydrophobicContact CB-CG1 3.92Å; L382-V397 HydrophobicContact CD2-CG1 4.3Å; L382-V397 HydrophobicContact CG-CG1 4.43Å; L382-V397 PolarHBondContact N-O 2.82Å; L382-V397 PolarHBondContact O-N 3.39Å; V397-W399 PolarHBondContact O-N 2.72Å
398L84.3Confident73.6Confident72 Ų7267.9 Ų67.938%0.37735%0.352SS..EExtended strand (participates in β ladder)trans-73.2118.1171.2-174.763.3000108.5Y282 F379 V381Y282-L398 HydrophobicContact CD2-CD2 4.13Å; Y282-L398 HydrophobicContact CD2-CG 4.08Å; Y282-L398 HydrophobicContact CE2-CD2 3.65Å; Y282-L398 HydrophobicContact CE2-CG 3.91Å; F379-L398 HydrophobicContact CB-CD1 3.96Å; F379-L398 HydrophobicContact CD1-CD1 3.84Å; F379-L398 HydrophobicContact CD1-CD2 4.22Å; F379-L398 HydrophobicContact CE1-CD2 4.39Å; F379-L398 HydrophobicContact CG-CD1 4.22Å; V381-L398 HydrophobicContact CG2-CD1 3.99Å
399W86.5Confident73.3Confident14 Ų1468.6 Ų68.65%0.05336%0.363CS..EExtended strand (participates in β ladder)trans-96.4-47.4-177.5167.641.6000112.2V280 Y282 T283 P290 L292 V358 I380 V397V280-W399 HydrophobicContact CG2-CB 4.39Å; Y282-W399 VanDerWaalsContact CA-O 3.31Å; Y282-W399 WeakPolarHBondContact CA-O 3.05Å; T283-W399 PolarHBondContact N-O 3.29Å; T283-W399 VanDerWaalsContact N-O 3.12Å; P290-W399 HydrophobicContact CB-CH2 3.67Å; P290-W399 HydrophobicContact CB-CZ2 3.75Å; P290-W399 HydrophobicContact CG-CH2 3.91Å; P290-W399 HydrophobicContact CG-CZ2 4.4Å; P290-W399 HydrophobicContact CG-CZ3 4.45Å; L292-W399 VanDerWaalsContact CA-CZ2 3.43Å; L292-W399 HydrophobicContact CB-CD2 4.32Å; L292-W399 HydrophobicContact CB-CE3 4.18Å; L292-W399 HydrophobicContact CB-CH2 3.43Å; L292-W399 VanDerWaalsContact CB-CH2 3.43Å; L292-W399 HydrophobicContact CB-CZ2 3.53Å; L292-W399 HydrophobicContact CB-CZ3 3.75Å; L292-W399 HydrophobicContact CD1-CD2 3.76Å; L292-W399 HydrophobicContact CD1-CE3 4.29Å; L292-W399 HydrophobicContact CD1-CG 4.06Å; L292-W399 HydrophobicContact CD1-CZ2 4.06Å; L292-W399 HydrophobicContact CD2-CE3 4.39Å; L292-W399 HydrophobicContact CG-CD2 4.44Å; L292-W399 HydrophobicContact CG-CH2 4.5Å; L292-W399 HydrophobicContact CG-CZ2 4.36Å; L292-W399 VanDerWaalsContact N-CH2 3.31Å; L292-W399 VanDerWaalsContact N-CZ2 3.34Å; V358-W399 HydrophobicContact CG2-CH2 4.01Å; V358-W399 HydrophobicContact CG2-CZ3 3.51Å; I380-W399 HydrophobicContact CB-CE3 4.06Å; I380-W399 HydrophobicContact CB-CZ3 4.48Å; I380-W399 HydrophobicContact CD1-CE3 4.5Å; I380-W399 HydrophobicContact CD1-CZ3 4.23Å; I380-W399 HydrophobicContact CG2-CE3 3.44Å; I380-W399 VanDerWaalsContact CG2-CE3 3.44Å; I380-W399 HydrophobicContact CG2-CZ3 3.77Å; I380-W399 PolarHBondContact O-N 2.64Å; V397-W399 PolarHBondContact O-N 2.72Å
400A85.6Confident73.1Confident0 Ų067.6 Ų67.60%035%0.354CS..EExtended strand (participates in β ladder)trans-150.4155.1-174.500000113.3T283 P290 I380T283-A400 CarbonylContact O-C 3.43Å; T283-A400 WeakPolarHBondContact O-CA 3.42Å; T283-A400 WeakPolarHBondContact O-CB 3.03Å; T283-A400 WeakPolarHBondContact OG1-CB 3.06Å; P290-A400 HydrophobicContact CG-CB 4.38Å; I380-A400 HydrophobicContact CB-CB 4.4Å; I380-A400 HydrophobicContact CD1-CB 3.87Å; I380-A400 PolarHBondContact N-O 2.73Å; I380-A400 PolarHBondContact O-N 3.17Å
401K85.4Confident73.2Confident58 Ų5863.5 Ų63.525%0.25233%0.329SS..EExtended strand (participates in β ladder)trans-119.1122.2168.2-178.1-172.1177.6-171.70108.7Y282 T283 E284 L285 T377 Y378 F379Y282-K401 HydrophobicContact CE2-CB 4.37Å; Y282-K401 WeakPolarHBondContact OH-CB 3.18Å; T283-K401 PolarHBondContact O-N 3.36Å; E284-K401 CarbonylContact C-O 3.53Å; E284-K401 WeakPolarHBondContact CA-O 3.02Å; E284-K401 HydrophobicContact CG-CB 4.25Å; L285-K401 PolarHBondContact N-O 2.03Å; T377-K401 HydrophobicContact CG2-CG 4.15Å; Y378-K401 CarbonylContact O-C 3.52Å; Y378-K401 WeakPolarHBondContact O-CA 3.26Å; F379-K401 HydrophobicContact CD1-CB 3.84Å; F379-K401 HydrophobicContact CD1-CD 4.49Å; F379-K401 HydrophobicContact CD1-CG 3.93Å; F379-K401 HydrophobicContact CE1-CB 3.76Å; F379-K401 HydrophobicContact CE1-CD 3.67Å; F379-K401 HydrophobicContact CE1-CG 3.59Å; F379-K401 HydrophobicContact CZ-CD 4.02Å; F379-K401 HydrophobicContact CZ-CG 4.19Å
402V83.6Confident73.6Confident14 Ų1461.9 Ų61.99%0.08533%0.326CS..EExtended strand (participates in β ladder)trans-106.5109175.5-176.40000107.4L285 P290 L372 T377 Y378 I380L285-V402 CarbonylContact O-C 3.56Å; L285-V402 WeakPolarHBondContact O-CA 3.36Å; P290-V402 HydrophobicContact CG-CG2 3.87Å; L372-V402 HydrophobicContact CD1-CB 4.42Å; L372-V402 HydrophobicContact CD1-CG1 4.18Å; L372-V402 HydrophobicContact CD1-CG2 4.31Å; T377-V402 CarbonylContact C-O 3.43Å; T377-V402 VanDerWaalsContact CA-O 3.3Å; T377-V402 WeakPolarHBondContact CA-O 3.49Å; Y378-V402 PolarHBondContact N-O 2.92Å; Y378-V402 PolarHBondContact O-N 2.82Å; I380-V402 HydrophobicContact CD1-CG2 3.77Å
403A77.6Confident73.3Confident28 Ų2862.2 Ų62.223%0.23133%0.329CS..EExtended strand (participates in β ladder)trans-94.9117.6179.100000110L285 T405L285-A403 PolarHBondContact O-N 2.85Å; A403-T405 PolarHBondContact O-N 3.35Å
404G66.7Low73.1Confident24 Ų2463 Ų6325%0.24734%0.34CS..PPolyproline II helixtrans-71.5121.2169.700000110.4N376 S406N376-G404 WeakPolarHBondContact O-CA 3.46Å; N376-G404 PolarHBondContact O-N 2.59Å; G404-S406 PolarHBondContact O-N 3.3Å
405T61.2Low72.6Confident44 Ų4465.5 Ų65.527%0.2736%0.357SS..PPolyproline II helixtrans-72.9123.1168.650.20000108.8A403 Y407 R410A403-T405 PolarHBondContact O-N 3.35Å; T405-Y407 PolarHBondContact O-N 3.24Å; T405-R410 PolarHBondContact OG1-NE 3.27Å
406S56.9Low72.1Confident40 Ų4066.2 Ų66.228%0.2837%0.366SS..PPolyproline II helixtrans-66.5136.5175.980.20000109.2G404 I408 L409 R410G404-S406 PolarHBondContact O-N 3.3Å; S406-I408 PolarHBondContact O-N 2.85Å; S406-I408 VanDerWaalsContact O-N 3.12Å; S406-L409 PolarHBondContact O-N 2.77Å; S406-L409 WeakPolarHBondContact OG-CB 3.47Å; S406-L409 WeakPolarHBondContact OG-CD1 3.29Å; S406-L409 PolarHBondContact OG-N 2.73Å; S406-L409 VanDerWaalsContact OG-N 3.14Å; S406-R410 PolarHBondContact O-N 2.94Å
407Y57Low71.7Confident192 Ų19267.5 Ų67.575%0.75338%0.378SS*.Hα-helixtrans-52.6-34.6175.1177.3-98.1000111.5T405 R410 V411T405-Y407 PolarHBondContact O-N 3.24Å; Y407-R410 PolarHBondContact O-N 3.3Å; Y407-V411 HydrophobicContact CD1-CG2 4.23Å; Y407-V411 HydrophobicContact CE1-CG2 3.84Å; Y407-V411 HydrophobicContact CE2-CG2 4.27Å; Y407-V411 WeakPolarHBondContact O-CG2 3.46Å; Y407-V411 PolarHBondContact O-N 3.08Å; Y407-V411 VanDerWaalsContact O-N 3.11Å
408I56.5Low71.4Confident132 Ų13268.8 Ų68.868%0.67739%0.393SS*.Hα-helixtrans-64.6-41.7178.7-58.5175.9000111.7S406 V411 S412S406-I408 PolarHBondContact O-N 2.85Å; S406-I408 VanDerWaalsContact O-N 3.12Å; I408-V411 PolarHBondContact O-N 3.01Å; I408-S412 VanDerWaalsContact O-CB 3.32Å; I408-S412 WeakPolarHBondContact O-CB 3.27Å; I408-S412 PolarHBondContact O-N 2.04Å; I408-S412 PolarHBondContact O-OG 2.89Å
409L58.2Low71.3Confident116 Ų11668.4 Ų68.461%0.60740%0.396SS*.Hα-helixtrans-68.5-35.4178.8-89.2157.9000112.9S406 S412 S413S406-L409 PolarHBondContact O-N 2.77Å; S406-L409 WeakPolarHBondContact OG-CB 3.47Å; S406-L409 WeakPolarHBondContact OG-CD1 3.29Å; S406-L409 PolarHBondContact OG-N 2.73Å; S406-L409 VanDerWaalsContact OG-N 3.14Å; L409-S412 WeakPolarHBondContact CA-OG 3.5Å; L409-S412 PolarHBondContact O-OG 3.49Å; L409-S412 VanDerWaalsContact O-OG 3.05Å; L409-S413 VanDerWaalsContact O-CB 3.26Å; L409-S413 WeakPolarHBondContact O-CB 3.48Å; L409-S413 PolarHBondContact O-N 3.12Å
410R62.7Low71.3Confident147 Ų14773.5 Ų73.556%0.55542%0.423SS*.Hα-helixtrans-67.9-45.2174.4-78.5-171.2175.7-167.7-1.6111.7T405 S406 Y407 S413 L414T405-R410 PolarHBondContact OG1-NE 3.27Å; S406-R410 PolarHBondContact O-N 2.94Å; Y407-R410 PolarHBondContact O-N 3.3Å; R410-S413 PolarHBondContact O-N 3.15Å; R410-L414 WeakPolarHBondContact O-CB 3.33Å; R410-L414 WeakPolarHBondContact O-CD1 3.41Å; R410-L414 WeakPolarHBondContact O-CG 3.33Å; R410-L414 PolarHBondContact O-N 3.31Å
411V64.8Low71.1Confident61 Ų6176.1 Ų76.137%0.3745%0.445SS..Hα-helixtrans-66-41.1178.1175.40000110.8Y407 I408 L414 C415Y407-V411 HydrophobicContact CD1-CG2 4.23Å; Y407-V411 HydrophobicContact CE1-CG2 3.84Å; Y407-V411 HydrophobicContact CE2-CG2 4.27Å; Y407-V411 WeakPolarHBondContact O-CG2 3.46Å; Y407-V411 PolarHBondContact O-N 3.08Å; Y407-V411 VanDerWaalsContact O-N 3.11Å; I408-V411 PolarHBondContact O-N 3.01Å; V411-L414 PolarHBondContact O-N 2.94Å; V411-C415 WeakPolarHBondContact O-CB 3.47Å; V411-C415 PolarHBondContact O-N 3.24Å; V411-C415 PolarHBondContact O-SG 3.14Å
412S65.7Low71.1Confident58 Ų5876 Ų7641%0.40646%0.455SS..Hα-helixtrans-67-38.9177.767.90000112.6I408 L409 C415 A416I408-S412 VanDerWaalsContact O-CB 3.32Å; I408-S412 WeakPolarHBondContact O-CB 3.27Å; I408-S412 PolarHBondContact O-N 2.04Å; I408-S412 PolarHBondContact O-OG 2.89Å; L409-S412 WeakPolarHBondContact CA-OG 3.5Å; L409-S412 PolarHBondContact O-OG 3.49Å; L409-S412 VanDerWaalsContact O-OG 3.05Å; S412-C415 PolarHBondContact O-N 3.31Å; S412-A416 VanDerWaalsContact O-CB 3.27Å; S412-A416 WeakPolarHBondContact O-CB 3.44Å; S412-A416 PolarHBondContact O-N 3.37Å
413S69.3Low71.3Confident78 Ų7879.4 Ų79.455%0.54548%0.475SS..Hα-helixtrans-63.3-43.7174.3179.10000112.1L409 R410 A416 A417L409-S413 VanDerWaalsContact O-CB 3.26Å; L409-S413 WeakPolarHBondContact O-CB 3.48Å; L409-S413 PolarHBondContact O-N 3.12Å; R410-S413 PolarHBondContact O-N 3.15Å; S413-A416 PolarHBondContact O-N 2.91Å; S413-A417 WeakPolarHBondContact O-CB 3.49Å; S413-A417 PolarHBondContact O-N 3.22Å
414L74.3Confident71.6Confident124 Ų12480.2 Ų80.265%0.64948%0.482SS*.Hα-helixtrans-64.9-42.5176-74.4164.3000111.9R410 V411 A417 A418R410-L414 WeakPolarHBondContact O-CB 3.33Å; R410-L414 WeakPolarHBondContact O-CD1 3.41Å; R410-L414 WeakPolarHBondContact O-CG 3.33Å; R410-L414 PolarHBondContact O-N 3.31Å; V411-L414 PolarHBondContact O-N 2.94Å; L414-A417 PolarHBondContact O-N 3.16Å; L414-A418 WeakPolarHBondContact O-CB 3.05Å; L414-A418 PolarHBondContact O-N 3.33Å
415C70.1Confident72.5Confident77 Ų7785.3 Ų85.352%0.5250%0.501SS..Hα-helixtrans-64.1-39.9174.4-73.50000112.3V411 S412 A418 S419V411-C415 WeakPolarHBondContact O-CB 3.47Å; V411-C415 PolarHBondContact O-N 3.24Å; V411-C415 PolarHBondContact O-SG 3.14Å; S412-C415 PolarHBondContact O-N 3.31Å; C415-A418 PolarHBondContact O-N 2.97Å; C415-S419 WeakPolarHBondContact O-CB 3.37Å; C415-S419 PolarHBondContact O-N 3.43Å; C415-S419 PolarHBondContact O-OG 3.21Å
416A73.9Confident73.8Confident45 Ų4588 Ų8837%0.37252%0.517SS..Hα-helixtrans-64.7-44.4176.500000111.6S412 S413 A418 S419 I420S412-A416 VanDerWaalsContact O-CB 3.27Å; S412-A416 WeakPolarHBondContact O-CB 3.44Å; S412-A416 PolarHBondContact O-N 3.37Å; S413-A416 PolarHBondContact O-N 2.91Å; A416-A418 PolarHBondContact O-N 3.05Å; A416-S419 VanDerWaalsContact CA-OG 3.3Å; A416-S419 WeakPolarHBondContact CA-OG 3.35Å; A416-S419 PolarHBondContact O-N 2.88Å; A416-S419 PolarHBondContact O-OG 2.77Å; A416-I420 VanDerWaalsContact O-CG1 3.25Å; A416-I420 WeakPolarHBondContact O-CG1 3.02Å; A416-I420 PolarHBondContact O-N 2.8Å
417A78.3Confident75.1Confident58 Ų5891.5 Ų91.548%0.47953%0.532SS..Hα-helixtrans-62.7-42.8175.900000112S413 L414 S419 I420 A421S413-A417 WeakPolarHBondContact O-CB 3.49Å; S413-A417 PolarHBondContact O-N 3.22Å; L414-A417 PolarHBondContact O-N 3.16Å; A417-S419 PolarHBondContact O-N 3.16Å; A417-I420 PolarHBondContact O-N 3.23Å; A417-A421 WeakPolarHBondContact O-CB 3.48Å; A417-A421 PolarHBondContact O-N 3.26Å
418A81.5Confident76.4Confident63 Ų6387.3 Ų87.352%0.52152%0.522SS..Hα-helixtrans-64-38.9176.700000112.5L414 C415 A416 A421 A422L414-A418 WeakPolarHBondContact O-CB 3.05Å; L414-A418 PolarHBondContact O-N 3.33Å; C415-A418 PolarHBondContact O-N 2.97Å; A416-A418 PolarHBondContact O-N 3.05Å; A418-A421 PolarHBondContact O-N 2.9Å; A418-A422 WeakPolarHBondContact O-CB 3.49Å; A418-A422 PolarHBondContact O-N 2.84Å
419S81.7Confident77.4Confident64 Ų6483.5 Ų83.545%0.44851%0.51SS..Hα-helixtrans-72.5-39.2178.240.10000112.6C415 A416 A417 A421 A422 V423C415-S419 WeakPolarHBondContact O-CB 3.37Å; C415-S419 PolarHBondContact O-N 3.43Å; C415-S419 PolarHBondContact O-OG 3.21Å; A416-S419 VanDerWaalsContact CA-OG 3.3Å; A416-S419 WeakPolarHBondContact CA-OG 3.35Å; A416-S419 PolarHBondContact O-N 2.88Å; A416-S419 PolarHBondContact O-OG 2.77Å; A417-S419 PolarHBondContact O-N 3.16Å; S419-A421 VanDerWaalsContact C-N 3.33Å; S419-A421 PolarHBondContact O-N 3.25Å; S419-A422 PolarHBondContact O-N 2.88Å; S419-V423 WeakPolarHBondContact O-CG2 3.4Å; S419-V423 PolarHBondContact O-N 3.33Å
420I86.1Confident78.5Confident120 Ų12080.4 Ų80.462%0.61550%0.501SS*.Hα-helixtrans-61.1-43.3172.1-66.8164.6000110.7A416 A417 A422 V423 A424A416-I420 VanDerWaalsContact O-CG1 3.25Å; A416-I420 WeakPolarHBondContact O-CG1 3.02Å; A416-I420 PolarHBondContact O-N 2.8Å; A417-I420 PolarHBondContact O-N 3.23Å; I420-A422 PolarHBondContact O-N 2.84Å; I420-V423 PolarHBondContact O-N 2.99Å; I420-A424 WeakPolarHBondContact O-CB 3.36Å; I420-A424 PolarHBondContact O-N 2.95Å
421A82.1Confident79.3Confident56 Ų5681.1 Ų81.146%0.46351%0.505SS..Hα-helixtrans-62.9-41.4176.600000112.2A417 A418 S419 A424 M425A417-A421 WeakPolarHBondContact O-CB 3.48Å; A417-A421 PolarHBondContact O-N 3.26Å; A418-A421 PolarHBondContact O-N 2.9Å; S419-A421 VanDerWaalsContact C-N 3.33Å; S419-A421 PolarHBondContact O-N 3.25Å; A421-A424 PolarHBondContact O-N 2.79Å; A421-M425 WeakPolarHBondContact O-CG 3.44Å; A421-M425 PolarHBondContact O-N 3.22Å
422A85.3Confident79.9Confident55 Ų5587.1 Ų87.146%0.45552%0.521SS..Hα-helixtrans-63.6-44.7175.700000112.1A418 S419 I420 A424 M425 V426A418-A422 WeakPolarHBondContact O-CB 3.49Å; A418-A422 PolarHBondContact O-N 2.84Å; S419-A422 PolarHBondContact O-N 2.88Å; I420-A422 PolarHBondContact O-N 2.84Å; A422-A424 PolarHBondContact O-N 2.92Å; A422-M425 PolarHBondContact O-N 2.72Å; A422-V426 WeakPolarHBondContact O-CG2 3.46Å; A422-V426 PolarHBondContact O-N 3.43Å
423V86.7Confident80.1Confident85 Ų8590 Ų9052%0.51553%0.531SS..Hα-helixtrans-63.2-42.4176.9173.20000111S419 I420 M425 V426 L427S419-V423 WeakPolarHBondContact O-CG2 3.4Å; S419-V423 PolarHBondContact O-N 3.33Å; I420-V423 PolarHBondContact O-N 2.99Å; V423-M425 VanDerWaalsContact C-N 3.31Å; V423-M425 PolarHBondContact O-N 2.69Å; V423-V426 PolarHBondContact O-N 2.82Å; V423-L427 HydrophobicContact CG1-CD1 3.94Å; V423-L427 HydrophobicContact CG1-CG 4.29Å; V423-L427 WeakPolarHBondContact O-CB 3.45Å; V423-L427 WeakPolarHBondContact O-CG 3.21Å; V423-L427 PolarHBondContact O-N 2.03Å
424A85.1Confident79.9Confident45 Ų4589.8 Ų89.837%0.37253%0.53SS..Hα-helixtrans-60.7-40.7175.600000112I420 A421 A422 L427 L428I420-A424 WeakPolarHBondContact O-CB 3.36Å; I420-A424 PolarHBondContact O-N 2.95Å; A421-A424 PolarHBondContact O-N 2.79Å; A422-A424 PolarHBondContact O-N 2.92Å; A424-L427 PolarHBondContact O-N 3.18Å; A424-L428 WeakPolarHBondContact O-CB 3.44Å; A424-L428 VanDerWaalsContact O-CG 3.26Å; A424-L428 WeakPolarHBondContact O-CG 3.33Å; A424-L428 PolarHBondContact O-N 3.29Å
425M86.1Confident79.5Confident132 Ų13290.9 Ų90.965%0.6553%0.526SS*.Hα-helixtrans-64.5-40.5175.2-74-66.3-69.900112.4A421 A422 V423 L428 A429A421-M425 WeakPolarHBondContact O-CG 3.44Å; A421-M425 PolarHBondContact O-N 3.22Å; A422-M425 PolarHBondContact O-N 2.72Å; V423-M425 VanDerWaalsContact C-N 3.31Å; V423-M425 PolarHBondContact O-N 2.69Å; M425-L428 PolarHBondContact O-N 3.35Å; M425-A429 WeakPolarHBondContact O-CB 3.22Å; M425-A429 PolarHBondContact O-N 2.93Å
426V87Confident79Confident100 Ų10091.4 Ų91.461%0.60653%0.529SS*.Hα-helixtrans-65.7-44.1175.4173.10000111.1A422 V423 L428 A429 A430A422-V426 WeakPolarHBondContact O-CG2 3.46Å; A422-V426 PolarHBondContact O-N 3.43Å; V423-V426 PolarHBondContact O-N 2.82Å; V426-L428 PolarHBondContact O-N 3.31Å; V426-A429 PolarHBondContact O-N 3.41Å; V426-A430 WeakPolarHBondContact O-CB 3.44Å; V426-A430 PolarHBondContact O-N 3.32Å
427L85.4Confident78.3Confident113 Ų11394.5 Ų94.559%0.59254%0.543SS*.Hα-helixtrans-64.1-39.8176.6-71.7173.4000111.8V423 A424 A430 Y431V423-L427 HydrophobicContact CG1-CD1 3.94Å; V423-L427 HydrophobicContact CG1-CG 4.29Å; V423-L427 WeakPolarHBondContact O-CB 3.45Å; V423-L427 WeakPolarHBondContact O-CG 3.21Å; V423-L427 PolarHBondContact O-N 2.03Å; A424-L427 PolarHBondContact O-N 3.18Å; L427-A430 PolarHBondContact O-N 2.75Å; L427-Y431 VanDerWaalsContact O-CB 3.29Å; L427-Y431 WeakPolarHBondContact O-CB 3.06Å; L427-Y431 PolarHBondContact O-N 3.2Å
428L83.9Confident77.1Confident105 Ų10598.6 Ų98.655%0.5556%0.557SS.*Hα-helixtrans-64.6-41174-77.3166.1000111.7A424 M425 V426 Y431 R432A424-L428 WeakPolarHBondContact O-CB 3.44Å; A424-L428 VanDerWaalsContact O-CG 3.26Å; A424-L428 WeakPolarHBondContact O-CG 3.33Å; A424-L428 PolarHBondContact O-N 3.29Å; M425-L428 PolarHBondContact O-N 3.35Å; V426-L428 PolarHBondContact O-N 3.31Å; L428-Y431 PolarHBondContact O-N 2.94Å; L428-R432 WeakPolarHBondContact O-CB 3.3Å; L428-R432 WeakPolarHBondContact O-CG 3.34Å; L428-R432 PolarHBondContact O-N 3.31Å
429A78.4Confident75.5Confident52 Ų52105 Ų10543%0.4357%0.568SS.*Hα-helixtrans-65.8-42.417500000111.9M425 V426 R432 L433M425-A429 WeakPolarHBondContact O-CB 3.22Å; M425-A429 PolarHBondContact O-N 2.93Å; V426-A429 PolarHBondContact O-N 3.41Å; A429-R432 WeakPolarHBondContact O-CB 3.04Å; A429-R432 PolarHBondContact O-N 2.82Å; A429-L433 WeakPolarHBondContact O-CB 3.48Å; A429-L433 WeakPolarHBondContact O-CG 3.42Å; A429-L433 PolarHBondContact O-N 3.19Å
430A79.7Confident73.8Confident50 Ų50107.5 Ų107.541%0.41358%0.58SS.*Hα-helixtrans-64.9-40.4175.700000112V426 L427 L433 S434V426-A430 WeakPolarHBondContact O-CB 3.44Å; V426-A430 PolarHBondContact O-N 3.32Å; L427-A430 PolarHBondContact O-N 2.75Å; A430-L433 PolarHBondContact O-N 3.22Å; A430-S434 WeakPolarHBondContact O-CB 3.41Å; A430-S434 PolarHBondContact O-N 3.28Å
431Y80.3Confident71.4Confident162 Ų162110.9 Ų110.964%0.63559%0.593SS**Hα-helixtrans-62.7-43.3173.8-179.3-99.9000111.6L427 L428 L433 S434 W435L427-Y431 VanDerWaalsContact O-CB 3.29Å; L427-Y431 WeakPolarHBondContact O-CB 3.06Å; L427-Y431 PolarHBondContact O-N 3.2Å; L428-Y431 PolarHBondContact O-N 2.94Å; Y431-L433 VanDerWaalsContact C-N 3.35Å; Y431-L433 PolarHBondContact O-N 3.33Å; Y431-S434 PolarHBondContact O-N 3.44Å; Y431-W435 VanDerWaalsContact O-CB 3.31Å; Y431-W435 WeakPolarHBondContact O-CB 2.99Å; Y431-W435 PolarHBondContact O-N 2.88Å
432R76.4Confident69.4Low187 Ų187114.1 Ų114.171%0.70661%0.61SS**Hα-helixtrans-60.4-43174.2-68.8-93-143.9-138.31111.8L428 A429 W435 C436L428-R432 WeakPolarHBondContact O-CB 3.3Å; L428-R432 WeakPolarHBondContact O-CG 3.34Å; L428-R432 PolarHBondContact O-N 3.31Å; A429-R432 WeakPolarHBondContact O-CB 3.04Å; A429-R432 PolarHBondContact O-N 2.82Å; R432-W435 PolarHBondContact O-N 2.96Å; R432-C436 PolarHBondContact O-N 3.25Å; R432-C436 PolarHBondContact O-SG 3.08Å
433L70.1Confident67Low119 Ų119121 Ų12162%0.62363%0.63SS**Hα-helixtrans-66-44.5177.1-78.6159.4000112.1A429 A430 Y431 W435 C436 V437A429-L433 WeakPolarHBondContact O-CB 3.48Å; A429-L433 WeakPolarHBondContact O-CG 3.42Å; A429-L433 PolarHBondContact O-N 3.19Å; A430-L433 PolarHBondContact O-N 3.22Å; Y431-L433 VanDerWaalsContact C-N 3.35Å; Y431-L433 PolarHBondContact O-N 3.33Å; L433-W435 VanDerWaalsContact C-N 3.34Å; L433-W435 PolarHBondContact O-N 2.71Å; L433-C436 WeakPolarHBondContact O-CB 3.43Å; L433-C436 PolarHBondContact O-N 2.89Å; L433-V437 WeakPolarHBondContact O-CG2 3.44Å; L433-V437 PolarHBondContact O-N 2.75Å; L433-V437 VanDerWaalsContact O-N 3.12Å
434S65.3Low64.5Low74 Ų74122.7 Ų122.752%0.51765%0.646SS.*Hα-helixtrans-62.2-40.9175.6179.10000111.9A430 Y431 C436 V437 N438A430-S434 WeakPolarHBondContact O-CB 3.41Å; A430-S434 PolarHBondContact O-N 3.28Å; Y431-S434 PolarHBondContact O-N 3.44Å; S434-C436 VanDerWaalsContact C-N 3.32Å; S434-C436 PolarHBondContact O-N 3.06Å; S434-V437 PolarHBondContact O-N 2.82Å; S434-N438 PolarHBondContact O-N 2.04Å; S434-N438 VanDerWaalsContact O-N 3.12Å
435W65.4Low62Low147 Ų147124.4 Ų124.456%0.55766%0.659SS**Hα-helixtrans-64.5-34.2174.6-172.674000112.8Y431 R432 L433Y431-W435 VanDerWaalsContact O-CB 3.31Å; Y431-W435 WeakPolarHBondContact O-CB 2.99Å; Y431-W435 PolarHBondContact O-N 2.88Å; R432-W435 PolarHBondContact O-N 2.96Å; L433-W435 VanDerWaalsContact C-N 3.34Å; L433-W435 PolarHBondContact O-N 2.71Å
436C59.5Low60.4Low87 Ų87123.3 Ų123.359%0.58866%0.662SS**Hα-helixtrans-67.8-34.8173.1-78.90000113.2R432 L433 S434R432-C436 PolarHBondContact O-N 3.25Å; R432-C436 PolarHBondContact O-SG 3.08Å; L433-C436 WeakPolarHBondContact O-CB 3.43Å; L433-C436 PolarHBondContact O-N 2.89Å; S434-C436 VanDerWaalsContact C-N 3.32Å; S434-C436 PolarHBondContact O-N 3.06Å
437V59.9Low57.8Low110 Ų110126.9 Ų126.967%0.66768%0.677SS**Hα-helixtrans-76.6-31.2-179.6174.90000112.1L433 S434 R439L433-V437 WeakPolarHBondContact O-CG2 3.44Å; L433-V437 PolarHBondContact O-N 2.75Å; L433-V437 VanDerWaalsContact O-N 3.12Å; S434-V437 PolarHBondContact O-N 2.82Å; V437-R439 PolarHBondContact O-N 2.89Å
438N52.9Low55.4Low145 Ų145125.8 Ų125.878%0.77568%0.684SS**THydrogen-bonded Turntrans-80.47.2-177-116.98.1000115.1S434S434-N438 PolarHBondContact O-N 2.04Å; S434-N438 VanDerWaalsContact O-N 3.12Å
439R49.1Very low52.9Low197 Ų197126.2 Ų126.274%0.74370%0.696SS**THydrogen-bonded Turntrans-935.5-178.9-132.8-178.2-174.2-169.32.4114.5V437V437-R439 PolarHBondContact O-N 2.89Å
440T45.5Very low50.8Low116 Ų116130 Ų13071%0.71271%0.713SS**SBendtrans-127.573.3179.952.10000112.5
441Q34.9Very low48.4Very low191 Ų191135.6 Ų135.689%0.89373%0.731SS**  trans-176.9150.8138.2-103.4173.2-6.500112.7
442P41.4Very low46.1Very low124 Ų124132.1 Ų132.181%0.80573%0.73SS**  trans-101.8165.5-159.538.8-32.2000116.3
443F34.4Very low44.2Very low200 Ų200129.4 Ų129.488%0.87773%0.73SS**  trans-39.6143.3179-104.8-102.1000119.6
444S32.8Very low42.4Very low121 Ų121132.2 Ų132.285%0.84674%0.737SS**  -157.8132.2129.553.30000112.1
445A34.1Very low40.8Very low80 Ų80138 Ų13866%0.66175%0.749SS**  trans-100.1-176.9168.200000108.6
446P52Low39.1Very low109 Ų109136.6 Ų136.671%0.70875%0.752SS**  cis-140.5-179.83.441-21.6000115.1
447L31.8Very low37.8Very low175 Ų175139 Ų13992%0.91676%0.759SS**  -176.1140.5121.1-112.1128.4000111.5
448A35.8Very low36.4Very low91 Ų91137.9 Ų137.975%0.75276%0.756SS**  trans-112.8143.8-172.700000112.4
449S31.1Very low35.4Very low114 Ų114139.7 Ų139.780%0.79776%0.757SS**  trans-162105.6147.9530000107.7
450V33.8Very low34.5Very low130 Ų130138.8 Ų138.879%0.78877%0.766SS**  56.498.990.5-175.60000114.3
451H30.9Very low33.9Very low169 Ų169143 Ų14378%0.78277%0.771SS**  164114.9107.4-13554.9000108.4
452S31.9Very low33.9Very low89 Ų89140.5 Ų140.562%0.62276%0.762SS**  59.8128.393.8-1260000112.6
453D34.6Very low33.8Very low130 Ų130146.1 Ų146.170%0.69578%0.784SS**  cis-176.9165.70.4-144.5-11000106.2
454K33.7Very low33.8Very low178 Ų178143.4 Ų143.477%0.77478%0.779SS**  trans71.3151.2155.1-69.9178.4-176.7177.90119.3
455Y31Very low33.9Very low195 Ų195144.6 Ų144.677%0.76578%0.775SS**  cis-178.4154.5-19.4-163.5-104.7000103.4
456N31.1Very low33.9Very low118 Ų118148.2 Ų148.263%0.63178%0.782SS**  trans73.1111169.4-87.21.4000118.1
457D30.8Very low32.8Very low137 Ų137150.5 Ų150.573%0.73379%0.786SS**  78.3118.359.4-159.626.2000111.1
458S30.9Very low32.9Very low86 Ų86148.9 Ų148.960%0.60178%0.778SS**  trans131.6111144.3-59.50000115.3
459K31.7Very low32.7Very low184 Ų184152.8 Ų152.880%0.878%0.78SS**  trans74.6115132.4-66176.3178.4176.60118.8
460L30.4Very low32.8Very low178 Ų178155.6 Ų155.693%0.93278%0.778SS**  trans-136.1103141.1-135.387.1000108.8
461Y33.1Very low32.7Very low205 Ų205157.5 Ų157.580%0.80478%0.778SS**  trans-103.5120.6154.2-82.5-90.7000105.6
462I35.8Very low32.8Very low138 Ų138156.6 Ų156.671%0.70878%0.777SS**  62.2120.6110.3-53.9-177.2000114.3
463L39.3Very low32.9Very low241 Ų241162.7 Ų162.7100%1.26279%0.791SS**  trans10.30151.4-76.7150000118.9

Retrieved 463 of 463 residues in 1794.6 ms (Link to these results)