A0A087YNA3_POEFO Loading...

EF-hand domain (C-terminal) containing 1

AlphaFold DB , UniProt , Accession A0A087YNA3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 547 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
1M32.4Very low53.4Low241 Ų241134.9 Ų134.9100%1.18772%0.719SS**  081.70-72.5-89.8-131.900105.9
2S31.9Very low55.4Low85 Ų85130.8 Ų130.859%0.59470%0.696SS**  trans-73.4128.4179.140.40000109.3E4S2-E4 PolarHBondContact O-N 2.85Å
3T35.6Very low56.5Low137 Ų137131.1 Ų131.184%0.8471%0.709SS**THydrogen-bonded Turntrans-73.231.7-173.131.50000114.6
4E43.5Very low57.8Low169 Ų169127 Ų12779%0.7971%0.713SS**THydrogen-bonded Turntrans-113.9-7.5-171.1-64.4-163.8161.400115.1S2S2-E4 PolarHBondContact O-N 2.85Å
5W50.8Low58.9Low228 Ų228126.9 Ų126.986%0.86470%0.699SS**SBendtrans-96.9-12.3-175.9-132.4-63.4000115.7
6N53.3Low59.4Low59 Ų59123.8 Ų123.832%0.31669%0.685SS.*SBendtrans-129.7112.6177.4-108.5-1.7000108.7G8N6-G8 PolarHBondContact O-N 3.38Å
7N57.6Low60.2Low160 Ų160126.5 Ų126.586%0.85669%0.688SS**SBendtrans-59.465.8176.7-71.3-22.2000112.6L9N7-L9 PolarHBondContact O-N 2.92Å; N7-L9 VanDerWaalsContact O-N 3.14Å
8G63.6Low60.6Low79 Ų79132.1 Ų132.181%0.81470%0.697SS**SBendtrans66.311.3177.500000116.1N6N6-G8 PolarHBondContact O-N 3.38Å
9L74.7Confident61.2Low77 Ų77131.2 Ų131.240%0.40369%0.693SS.*  trans-79.8137.8-179.2-73.1169.9000112.3N7N7-L9 PolarHBondContact O-N 2.92Å; N7-L9 VanDerWaalsContact O-N 3.14Å
10P71.5Confident61.9Low74 Ų74133 Ų13348%0.48170%0.702SS.*  trans-71.2141-179.828.2-33.5000112.2I12P10-I12 PolarHBondContact O-N 3.41Å
11F72.3Confident62.4Low175 Ų175130.4 Ų130.477%0.76870%0.7SS**  trans-82.259.4-177.3-124.5-88.5000112.2T16F11-T16 HydrophobicContact CE1-CG2 4.33Å
12I77.9Confident64.3Low86 Ų86121.8 Ų121.844%0.44166%0.655SS.*  trans-103.8153.9177.461.8174.1000111.8P10 G14 Y15P10-I12 PolarHBondContact O-N 3.41Å; I12-G14 PolarHBondContact O-N 3.36Å; I12-G14 VanDerWaalsContact O-N 3.17Å; I12-Y15 HydrophobicContact CD1-CD2 3.71Å; I12-Y15 HydrophobicContact CD1-CE2 4Å; I12-Y15 HydrophobicContact CG1-CD2 3.62Å; I12-Y15 HydrophobicContact CG1-CE2 4.41Å; I12-Y15 PolarHBondContact O-N 3.17Å; I12-Y15 VanDerWaalsContact O-N 3.12Å
13P69.9Low66.4Low134 Ų134124 Ų12487%0.8767%0.666SS**THydrogen-bonded Turntrans-54.8121.7176.5-22.632.8000111
14G73.8Confident68.3Low74 Ų74119.1 Ų119.176%0.76364%0.639SS**THydrogen-bonded Turntrans111.6-25.9-177.200000114.8I12I12-G14 PolarHBondContact O-N 3.36Å; I12-G14 VanDerWaalsContact O-N 3.17Å
15Y74.1Confident70Confident126 Ų126117.8 Ų117.849%0.49463%0.631SS.*  trans-102.546174.8-72.9-70.9000112.2I12I12-Y15 HydrophobicContact CD1-CD2 3.71Å; I12-Y15 HydrophobicContact CD1-CE2 4Å; I12-Y15 HydrophobicContact CG1-CD2 3.62Å; I12-Y15 HydrophobicContact CG1-CE2 4.41Å; I12-Y15 PolarHBondContact O-N 3.17Å; I12-Y15 VanDerWaalsContact O-N 3.12Å
16T67.1Low71.3Confident77 Ų77110.8 Ų110.847%0.47261%0.608SS.*  trans-127.2117.9177.157.60000110F11F11-T16 HydrophobicContact CE1-CG2 4.33Å
17F74.1Confident72.3Confident170 Ų170118 Ų11875%0.74663%0.63SS**  trans-91.4125.3175.9-57.5-78.7000109.7
18R66.9Low73.2Confident226 Ų226112.7 Ų112.785%0.85361%0.606SS**  trans-89.5124.1172.7-69.9-175.8-178.61751.2108.9L20R18-L20 PolarHBondContact O-N 3.47Å
19D71.5Confident73.8Confident115 Ų115117.6 Ų117.662%0.61561%0.608SS**  trans-74.5114169.3-175.12.4000109.7A21D19-A21 VanDerWaalsContact C-N 3.32Å; D19-A21 WeakPolarHBondContact OD1-CB 3.45Å; D19-A21 PolarHBondContact OD1-N 3.08Å
20L74.5Confident73.9Confident168 Ų168116 Ų11688%0.8860%0.601SS**THydrogen-bonded Turntrans-81.6-10.4-179.3-67.3170.9000112.8R18R18-L20 PolarHBondContact O-N 3.47Å
21A74.3Confident74.2Confident78 Ų78119 Ų11965%0.64561%0.612SS**THydrogen-bonded Turntrans-84.7-10.2179.700000113.4D19 T23D19-A21 VanDerWaalsContact C-N 3.32Å; D19-A21 WeakPolarHBondContact OD1-CB 3.45Å; D19-A21 PolarHBondContact OD1-N 3.08Å; A21-T23 PolarHBondContact O-N 2.91Å
22K72Confident74.6Confident60 Ų60111.8 Ų111.826%0.26159%0.588SS.*  trans-75.4117.4-175.9-166.1159.1-175.4150.10111.4F25 I47 E50K22-F25 HydrophobicContact CB-CZ 4.42Å; K22-F25 HydrophobicContact CG-CE1 4.25Å; K22-F25 HydrophobicContact CG-CZ 4.44Å; K22-F25 WeakPolarHBondContact O-CE2 3.39Å; K22-F25 WeakPolarHBondContact O-CZ 3.43Å; K22-I47 WeakPolarHBondContact CE-O 3.43Å; K22-I47 PolarHBondContact NZ-O 3.07Å; K22-E50 IonicContact NZ-OE1 2.68Å; K22-E50 PolarHBondContact NZ-OE1 3.23Å; K22-E50 IonicContact NZ-OE2 2.99Å; K22-E50 PolarHBondContact NZ-OE2 3.14Å
23T75.3Confident74.8Confident133 Ų133116.6 Ų116.682%0.81660%0.601SS**  trans-108.1-12.6-177.652.90000113.9A21A21-T23 PolarHBondContact O-N 2.91Å
24A76.3Confident75.1Confident33 Ų33116.3 Ų116.327%0.27359%0.587SS.*  trans-110.4122.1-178.200000112G48A24-G48 WeakPolarHBondContact O-CA 3.47Å
25F78Confident75Confident142 Ų142119.8 Ų119.862%0.62359%0.588SS**  trans-126.716.1-176-58.7-79.9000114.4K22K22-F25 HydrophobicContact CB-CZ 4.42Å; K22-F25 HydrophobicContact CG-CE1 4.25Å; K22-F25 HydrophobicContact CG-CZ 4.44Å; K22-F25 WeakPolarHBondContact O-CE2 3.39Å; K22-F25 WeakPolarHBondContact O-CZ 3.43Å
26H79.1Confident75Confident80 Ų80116.8 Ų116.837%0.3760%0.595SS.*PPolyproline II helixtrans-66.4139.1179.553.7-87.5000110.7I47 G48 K49H26-I47 WeakPolarHBondContact O-CA 3.43Å; H26-G48 VanDerWaalsContact NE2-C 3.34Å; H26-G48 PolarHBondContact O-N 3.12Å; H26-G48 VanDerWaalsContact O-N 3.11Å; H26-K49 PolarHBondContact CE1-N 2.87Å; H26-K49 WeakPolarHBondContact NE2-CA 3.37Å; H26-K49 WeakPolarHBondContact NE2-CB 3.15Å; H26-K49 VanDerWaalsContact NE2-CD 3.35Å; H26-K49 WeakPolarHBondContact NE2-CD 3.41Å; H26-K49 WeakPolarHBondContact NE2-CG 3.3Å; H26-K49 PolarHBondContact NE2-N 3.5Å
27R74.4Confident74.8Confident211 Ų211120.5 Ų120.580%0.79661%0.605SS**PPolyproline II helixtrans-95.7142.6179.7-63.1-177.2176.8-175.8-0.9110.1I47R27-I47 HydrophobicContact CG-CG1 4.31Å
28S75.1Confident75Confident48 Ų48115.9 Ų115.934%0.33660%0.598SS.*PPolyproline II helixtrans-72.1136.6170.442.40000110.4T30 V45S28-T30 VanDerWaalsContact C-N 3.33Å; S28-T30 PolarHBondContact O-N 2.92Å; S28-V45 PolarHBondContact OG-O 3.31Å; S28-V45 VanDerWaalsContact OG-O 3.05Å
29Q76Confident75.4Confident183 Ų183108.5 Ų108.586%0.85558%0.575SS**  trans-77.684.6174.2-99158.3-28.900109.5
30T77.1Confident75.5Confident44 Ų44107.8 Ų107.827%0.2758%0.58SS.*  trans-85.2-11.6177.252.40000113.2S28 S40 Y41 P43S28-T30 VanDerWaalsContact C-N 3.33Å; S28-T30 PolarHBondContact O-N 2.92Å; T30-S40 CarbonylContact O-C 3.52Å; T30-S40 WeakPolarHBondContact O-CA 3.35Å; T30-Y41 WeakPolarHBondContact CB-O 3.45Å; T30-Y41 PolarHBondContact O-N 3.46Å; T30-P43 HydrophobicContact CG2-CB 3.51Å; T30-P43 HydrophobicContact CG2-CG 3.86Å
31L79.4Confident75.5Confident135 Ų135105.6 Ų105.671%0.70756%0.561SS**EExtended strand (participates in β ladder)trans-124.1126.4-179.7-62.5172.2000108.6
32G80.6Confident75.1Confident25 Ų25113.3 Ų113.326%0.25857%0.573SS.*EExtended strand (participates in β ladder)trans-150.9163.117900000111.9L39G32-L39 PolarHBondContact N-O 3.33Å; G32-L39 PolarHBondContact O-N 3.13Å; G32-L39 VanDerWaalsContact O-O 3.11Å
33Y80.9Confident74.9Confident186 Ų186113.5 Ų113.573%0.72958%0.58SS**EExtended strand (participates in β ladder)trans-107.3134.4172.7-80-96.8000109.4F37 A38Y33-F37 WeakPolarHBondContact CA-O 3Å; Y33-A38 HydrophobicContact CD1-CB 4.38Å; Y33-A38 HydrophobicContact CE1-CB 3.8Å; Y33-A38 HydrophobicContact CE2-CB 4.46Å
34K77.3Confident74.4Confident129 Ų129111.4 Ų111.456%0.56157%0.571SS**EExtended strand (participates in β ladder)trans-128.7120.7168.4-167179.9-179.6-177.90107.9G36 F37 L39K34-G36 VanDerWaalsContact C-N 3.26Å; K34-G36 PolarHBondContact O-N 3.04Å; K34-F37 PolarHBondContact N-O 3.35Å; K34-F37 VanDerWaalsContact N-O 3.14Å; K34-F37 PolarHBondContact O-N 2.93Å; K34-L39 HydrophobicContact CB-CD1 3.55Å; K34-L39 HydrophobicContact CD-CD1 4.29Å
35N71.3Confident74Confident146 Ų146111.7 Ų111.778%0.78157%0.569SS**THydrogen-bonded Turntrans5240.3179.6-57.3-14.6000113.9F37N35-F37 WeakPolarHBondContact O-CD2 3.35Å; N35-F37 PolarHBondContact O-N 2.83Å
36G74.6Confident73.6Confident64 Ų64107.9 Ų107.966%0.6656%0.557SS**THydrogen-bonded Turntrans86.8-9175.700000116.1K34K34-G36 VanDerWaalsContact C-N 3.26Å; K34-G36 PolarHBondContact O-N 3.04Å
37F62.7Low73Confident154 Ų154107.5 Ų107.568%0.67556%0.558SS**EExtended strand (participates in β ladder)trans-99.6138176.7-59.7-82.7000111.5Y33 K34 N35 L39Y33-F37 WeakPolarHBondContact CA-O 3Å; K34-F37 PolarHBondContact N-O 3.35Å; K34-F37 VanDerWaalsContact N-O 3.14Å; K34-F37 PolarHBondContact O-N 2.93Å; N35-F37 WeakPolarHBondContact O-CD2 3.35Å; N35-F37 PolarHBondContact O-N 2.83Å; F37-L39 PolarHBondContact O-N 3.18Å
38A77.3Confident72.8Confident73 Ų7398.1 Ų98.160%0.60353%0.526SS*.EExtended strand (participates in β ladder)trans-74.6119.3174.200000109.7Y33Y33-A38 HydrophobicContact CD1-CB 4.38Å; Y33-A38 HydrophobicContact CE1-CB 3.8Å; Y33-A38 HydrophobicContact CE2-CB 4.46Å
39L75.7Confident72.4Confident71 Ų71103.4 Ų103.437%0.37254%0.543SS..EExtended strand (participates in β ladder)trans-114.1132.1178-68.6172.2000110G32 K34 F37 Y41G32-L39 PolarHBondContact N-O 3.33Å; G32-L39 PolarHBondContact O-N 3.13Å; G32-L39 VanDerWaalsContact O-O 3.11Å; K34-L39 HydrophobicContact CB-CD1 3.55Å; K34-L39 HydrophobicContact CD-CD1 4.29Å; F37-L39 PolarHBondContact O-N 3.18Å; L39-Y41 HydrophobicContact CB-CE2 4.35Å
40S73.6Confident72Confident101 Ų10198.7 Ų98.771%0.70652%0.521SS*.EExtended strand (participates in β ladder)trans-99.3120.6170.456.70000110.1T30T30-S40 CarbonylContact O-C 3.52Å; T30-S40 WeakPolarHBondContact O-CA 3.35Å
41Y74.8Confident71.3Confident121 Ų121102.4 Ų102.448%0.47554%0.544SS..PPolyproline II helixtrans-95.4135.9172.3-59.4-75.7000109.4T30 L39T30-Y41 WeakPolarHBondContact CB-O 3.45Å; T30-Y41 PolarHBondContact O-N 3.46Å; L39-Y41 HydrophobicContact CB-CE2 4.35Å
42R66.3Low70.4Confident241 Ų24199 Ų9991%0.90953%0.525SS*.PPolyproline II helixtrans-65.9127.6172.4-74.2-173.6179.1170.80.7109.1S44R42-S44 PolarHBondContact O-N 3.32Å
43P67.1Low69.2Low64 Ų64102.3 Ų102.342%0.41655%0.551SS.*PPolyproline II helixtrans-64127.7175.821.9-27.5000109.4T30 L52T30-P43 HydrophobicContact CG2-CB 3.51Å; T30-P43 HydrophobicContact CG2-CG 3.86Å; P43-L52 HydrophobicContact CB-CD1 4.04Å; P43-L52 HydrophobicContact CG-CD1 4.19Å; P43-L52 WeakPolarHBondContact O-CD1 3.13Å
44S64.1Low68Low89 Ų8997 Ų9762%0.62255%0.545SS*.SBendtrans-85.7-16.4168.447.30000112.3R42 L52R42-S44 PolarHBondContact O-N 3.32Å; S44-L52 PolarHBondContact O-N 3.37Å
45V69.4Low66.9Low38 Ų3899.3 Ų99.323%0.2356%0.558CS.*BIsolated β-bridgetrans-144.4141.3-171.1-163.10000110.4S28 K49 E50S28-V45 PolarHBondContact OG-O 3.31Å; S28-V45 VanDerWaalsContact OG-O 3.05Å; V45-K49 HydrophobicContact CG1-CB 4.39Å; V45-K49 HydrophobicContact CG1-CG 4.5Å; V45-K49 WeakPolarHBondContact CG1-O 3.49Å; V45-E50 WeakPolarHBondContact CA-O 3.33Å; V45-E50 VanDerWaalsContact CG1-C 3.47Å; V45-E50 WeakPolarHBondContact CG1-O 3.08Å
46V68.3Low66.1Low62 Ų6297.9 Ų97.938%0.37656%0.557SS.*  trans-81.7169.8175.5-163.70000110.8G48 K49 E50 L52V46-G48 PolarHBondContact O-N 3.48Å; V46-K49 PolarHBondContact O-N 3.23Å; V46-K49 VanDerWaalsContact O-N 3.14Å; V46-E50 PolarHBondContact N-O 3.16Å; V46-L52 HydrophobicContact CG2-CD1 4.22Å; V46-L52 HydrophobicContact CG2-CD2 3.32Å; V46-L52 HydrophobicContact CG2-CG 3.44Å; V46-L52 VanDerWaalsContact CG2-CG 3.44Å
47I67.6Low65.1Low73 Ų7399.7 Ų99.737%0.37455%0.551SS.*THydrogen-bonded Turntrans-49.4120.9172.3-57.4175.8000110.2K22 H26 R27K22-I47 WeakPolarHBondContact CE-O 3.43Å; K22-I47 PolarHBondContact NZ-O 3.07Å; H26-I47 WeakPolarHBondContact O-CA 3.43Å; R27-I47 HydrophobicContact CG-CG1 4.31Å
48G69.5Low64.9Low13 Ų1396.3 Ų96.313%0.13454%0.543CS..THydrogen-bonded Turntrans95.613.6-178.900000116A24 H26 V46 E50A24-G48 WeakPolarHBondContact O-CA 3.47Å; H26-G48 VanDerWaalsContact NE2-C 3.34Å; H26-G48 PolarHBondContact O-N 3.12Å; H26-G48 VanDerWaalsContact O-N 3.11Å; V46-G48 PolarHBondContact O-N 3.48Å; G48-E50 VanDerWaalsContact C-N 3.33Å
49K67.1Low64Low160 Ų160100.6 Ų100.670%0.69655%0.55SS**SBendtrans73.615.5175.6-104.4163.5-154-169.20115.3H26 V45 V46H26-K49 PolarHBondContact CE1-N 2.87Å; H26-K49 WeakPolarHBondContact NE2-CA 3.37Å; H26-K49 WeakPolarHBondContact NE2-CB 3.15Å; H26-K49 VanDerWaalsContact NE2-CD 3.35Å; H26-K49 WeakPolarHBondContact NE2-CD 3.41Å; H26-K49 WeakPolarHBondContact NE2-CG 3.3Å; H26-K49 PolarHBondContact NE2-N 3.5Å; V45-K49 HydrophobicContact CG1-CB 4.39Å; V45-K49 HydrophobicContact CG1-CG 4.5Å; V45-K49 WeakPolarHBondContact CG1-O 3.49Å; V46-K49 PolarHBondContact O-N 3.23Å; V46-K49 VanDerWaalsContact O-N 3.14Å
50E66.7Low63.1Low83 Ų83104 Ų10439%0.38856%0.564SS.*PPolyproline II helixtrans-75123.4173.5-76161.6-16300110.9K22 V45 V46 G48 L52K22-E50 IonicContact NZ-OE1 2.68Å; K22-E50 PolarHBondContact NZ-OE1 3.23Å; K22-E50 IonicContact NZ-OE2 2.99Å; K22-E50 PolarHBondContact NZ-OE2 3.14Å; V45-E50 WeakPolarHBondContact CA-O 3.33Å; V45-E50 VanDerWaalsContact CG1-C 3.47Å; V45-E50 WeakPolarHBondContact CG1-O 3.08Å; V46-E50 PolarHBondContact N-O 3.16Å; G48-E50 VanDerWaalsContact C-N 3.33Å; E50-L52 PolarHBondContact O-N 3.44Å
51V62.5Low62.3Low123 Ų123103.4 Ų103.475%0.74555%0.55SS*.BIsolated β-bridgetrans-64.3130.2-179.6-177.90000109.5A53V51-A53 PolarHBondContact O-N 3.32Å
52L61.8Low61.6Low62 Ų62101.5 Ų101.533%0.32555%0.547SS..PPolyproline II helixtrans-68.6120.4173.5-83.2158.9000109.1P43 S44 V46 E50 A54P43-L52 HydrophobicContact CB-CD1 4.04Å; P43-L52 HydrophobicContact CG-CD1 4.19Å; P43-L52 WeakPolarHBondContact O-CD1 3.13Å; S44-L52 PolarHBondContact O-N 3.37Å; V46-L52 HydrophobicContact CG2-CD1 4.22Å; V46-L52 HydrophobicContact CG2-CD2 3.32Å; V46-L52 HydrophobicContact CG2-CG 3.44Å; V46-L52 VanDerWaalsContact CG2-CG 3.44Å; E50-L52 PolarHBondContact O-N 3.44Å; L52-A54 PolarHBondContact O-N 2.76Å
53A54.3Low61.1Low95 Ų9595.5 Ų95.579%0.78553%0.533SS*.  trans-73.947.5173.500000112.3V51V51-A53 PolarHBondContact O-N 3.32Å
54A55.3Low60.6Low74 Ų74100.9 Ų100.961%0.61255%0.55SS*.  trans-109.4107.7167.300000106.4L52L52-A54 PolarHBondContact O-N 2.76Å
55E54Low60.1Low179 Ų179102.9 Ų102.984%0.83655%0.553SS**  trans-53.4124.2175.7-67.4178.1153.800109L57E55-L57 PolarHBondContact O-N 3.38Å; E55-L57 VanDerWaalsContact O-N 3.12Å
56P56.3Low59Low116 Ų116104.9 Ų104.975%0.75357%0.567SS**  trans-64.1117167.226.1-29.5000106.9T58P56-T58 PolarHBondContact O-N 3.34Å; P56-T58 VanDerWaalsContact O-N 3.13Å
57L52.3Low57.9Low102 Ų102111.6 Ų111.653%0.53459%0.592SS.*  trans-44.7123.3172.8-72.1163.3000108.8E55 E61 I62E55-L57 PolarHBondContact O-N 3.38Å; E55-L57 VanDerWaalsContact O-N 3.12Å; L57-E61 WeakPolarHBondContact CA-OE2 3.47Å; L57-E61 HydrophobicContact CB-CB 4.48Å; L57-E61 HydrophobicContact CD2-CB 4.06Å; L57-I62 HydrophobicContact CB-CG1 4.16Å
58T59.9Low56.7Low83 Ų83117.1 Ų117.151%0.50962%0.616SS.*  trans-65.1150.4177.740.40000109.1P56 H60 E61 I62P56-T58 PolarHBondContact O-N 3.34Å; P56-T58 VanDerWaalsContact O-N 3.13Å; T58-H60 PolarHBondContact O-N 2.99Å; T58-E61 PolarHBondContact N-OE2 3.15Å; T58-E61 PolarHBondContact O-N 2.85Å; T58-E61 PolarHBondContact OG1-OE2 3.38Å; T58-I62 PolarHBondContact O-N 2.98Å
59H57.8Low55.5Low163 Ų163121.8 Ų121.876%0.75564%0.642SS**Hα-helixtrans-48.2-32.8179.2-116.263.9000112.3E61 I62 D63H59-E61 PolarHBondContact O-N 3.45Å; H59-I62 PolarHBondContact O-N 2.88Å; H59-D63 PolarHBondContact O-N 3.33Å; H59-D63 VanDerWaalsContact O-N 3.17Å
60H56.2Low54.4Low142 Ų142120.4 Ų120.466%0.65765%0.65SS**Hα-helixtrans-67-31178.5-159.1-5.5000114.5T58 K64T58-H60 PolarHBondContact O-N 2.99Å; H60-K64 PolarHBondContact O-N 3.2Å
61E57.8Low53.2Low88 Ų88126.8 Ų126.841%0.41167%0.672SS.*Hα-helixtrans-81.2-26.9177.7-66.3169.7137.400111.9L57 T58 H59 K64L57-E61 WeakPolarHBondContact CA-OE2 3.47Å; L57-E61 HydrophobicContact CB-CB 4.48Å; L57-E61 HydrophobicContact CD2-CB 4.06Å; T58-E61 PolarHBondContact N-OE2 3.15Å; T58-E61 PolarHBondContact O-N 2.85Å; T58-E61 PolarHBondContact OG1-OE2 3.38Å; H59-E61 PolarHBondContact O-N 3.45Å; E61-K64 PolarHBondContact O-N 2.85Å
62I58.8Low52.3Low82 Ų82127.1 Ų127.142%0.42167%0.674SS.*Hα-helixtrans-69-44173.3-58.7173.8000109.8L57 T58 H59 K64 L65L57-I62 HydrophobicContact CB-CG1 4.16Å; T58-I62 PolarHBondContact O-N 2.98Å; H59-I62 PolarHBondContact O-N 2.88Å; I62-K64 VanDerWaalsContact C-N 3.25Å; I62-K64 PolarHBondContact O-N 3.41Å; I62-L65 PolarHBondContact O-N 3.13Å
63D55.3Low51.8Low114 Ų114130 Ų13061%0.6169%0.694SS**Hα-helixtrans-61.5-32.8175.2-90-6.6000112.6H59 L65 C66H59-D63 PolarHBondContact O-N 3.33Å; H59-D63 VanDerWaalsContact O-N 3.17Å; D63-L65 VanDerWaalsContact C-N 3.27Å; D63-L65 PolarHBondContact O-N 3.35Å; D63-C66 PolarHBondContact O-N 2.91Å
64K57Low51.5Low177 Ų177135.4 Ų135.477%0.7770%0.696SS**THydrogen-bonded Turntrans-72.3-17.2178.7-115.2-179179.9178.80114.4H60 E61 I62H60-K64 PolarHBondContact O-N 3.2Å; E61-K64 PolarHBondContact O-N 2.85Å; I62-K64 VanDerWaalsContact C-N 3.25Å; I62-K64 PolarHBondContact O-N 3.41Å
65L53.4Low51.1Low131 Ų131139.1 Ų139.169%0.68671%0.705SS**THydrogen-bonded Turntrans-94.5-8.3177.1-73.7165.3000112.4I62 D63 F67I62-L65 PolarHBondContact O-N 3.13Å; D63-L65 VanDerWaalsContact C-N 3.27Å; D63-L65 PolarHBondContact O-N 3.35Å; L65-F67 PolarHBondContact O-N 3.05Å
66C47.2Very low50.7Low80 Ų80139.8 Ų139.854%0.54171%0.706SS.*SBendtrans-77.5117.6167.5-73.70000108.6D63 E68D63-C66 PolarHBondContact O-N 2.91Å; C66-E68 PolarHBondContact O-N 3.45Å; C66-E68 VanDerWaalsContact O-N 3.07Å
67F44.3Very low50.2Low203 Ų203138.5 Ų138.589%0.8970%0.697SS**  trans-56.7115.3173.6-73.1-85.9000109.7L65 T69L65-F67 PolarHBondContact O-N 3.05Å; F67-T69 PolarHBondContact O-N 3.42Å
68E42.2Very low50.2Low189 Ų189142.3 Ų142.388%0.88371%0.712SS**  trans-62.7120.4176.3-67.5177.5168.500109.7C66C66-E68 PolarHBondContact O-N 3.45Å; C66-E68 VanDerWaalsContact O-N 3.07Å
69T44.9Very low49.8Very low111 Ų111147.9 Ų147.968%0.68173%0.725SS**  trans-105.6134.6160.346.10000108.2F67 Y71F67-T69 PolarHBondContact O-N 3.42Å; T69-Y71 WeakPolarHBondContact O-CD1 3.27Å; T69-Y71 PolarHBondContact O-N 2.91Å
70P44.1Very low50Low132 Ų132148.8 Ų148.886%0.85773%0.73SS**PPolyproline II helixtrans-73.8122.7-176.428.5-31.6000110.3
71Y42.2Very low50.8Low216 Ų216150.3 Ų150.385%0.84774%0.737SS**PPolyproline II helixtrans-89.6122.4179.628.1-90.9000111.2T69T69-Y71 WeakPolarHBondContact O-CD1 3.27Å; T69-Y71 PolarHBondContact O-N 2.91Å
72T42.4Very low51.7Low130 Ų130154.8 Ų154.880%0.79876%0.756SS**PPolyproline II helixtrans-88.9133.8160.324.40000110
73V51Low52.7Low122 Ų122155.6 Ų155.674%0.73976%0.76SS**SBendtrans-65129.6176.3-176.70000108.3
74Y49.6Very low54.1Low210 Ų210152.2 Ų152.282%0.82474%0.744SS**SBendtrans83.761-170.1-46.7-72.6000115.7
75D45.5Very low55.2Low151 Ų151146.7 Ų146.781%0.80773%0.732SS**  -163.4133.1128.9-86.7-33.3000106.8P77D75-P77 WeakPolarHBondContact O-CD 3.42Å
76K47Very low56.4Low194 Ų194145.6 Ų145.684%0.84372%0.723SS**  trans-63.5126.9165.1-83.6176.3175.5175.60105.5E78K76-E78 VanDerWaalsContact C-N 3.3Å; K76-E78 PolarHBondContact O-N 3.49Å
77P44.3Very low58.2Low89 Ų89145.8 Ų145.858%0.57872%0.721SS**  trans-63.7103.216426.4-29.7000106D75 Y79D75-P77 WeakPolarHBondContact O-CD 3.42Å; P77-Y79 HydrophobicContact CB-CE2 4.25Å; P77-Y79 HydrophobicContact CG-CD2 4.46Å; P77-Y79 HydrophobicContact CG-CE2 3.87Å; P77-Y79 WeakPolarHBondContact O-CD2 3.24Å; P77-Y79 PolarHBondContact O-N 3.43Å
78E53Low60.2Low182 Ų182138.2 Ų138.285%0.8570%0.696SS**  trans-61.897157.2-75.1-175.9166.800104.8K76 E80K76-E78 VanDerWaalsContact C-N 3.3Å; K76-E78 PolarHBondContact O-N 3.49Å; E78-E80 PolarHBondContact O-N 3.02Å
79Y51Low62.3Low200 Ų200131.4 Ų131.478%0.78467%0.666SS**  trans-62.699.4163.4-69-86.4000105.2P77 E81P77-Y79 HydrophobicContact CB-CE2 4.25Å; P77-Y79 HydrophobicContact CG-CD2 4.46Å; P77-Y79 HydrophobicContact CG-CE2 3.87Å; P77-Y79 WeakPolarHBondContact O-CD2 3.24Å; P77-Y79 PolarHBondContact O-N 3.43Å; Y79-E81 PolarHBondContact O-N 3.38Å; Y79-E81 VanDerWaalsContact O-N 3.08Å
80E63.5Low64.3Low182 Ų182129.8 Ų129.885%0.8565%0.653SS**  trans-55.1120163.2-72.1-166.2167.700106.2E78 F82E78-E80 PolarHBondContact O-N 3.02Å; E80-F82 PolarHBondContact O-N 2.72Å; E80-F82 VanDerWaalsContact O-N 3.16Å
81E71.2Confident66.3Low174 Ų174131.9 Ų131.981%0.81365%0.648SS**  trans-54.2126.5174.8-70.3-176.1164.800107.4Y79 I83Y79-E81 PolarHBondContact O-N 3.38Å; Y79-E81 VanDerWaalsContact O-N 3.08Å; E81-I83 WeakPolarHBondContact O-CG1 3.19Å; E81-I83 PolarHBondContact O-N 3.19Å
82F78Confident68.7Low182 Ų182125.9 Ų125.980%0.79863%0.626SS**  trans-62.6104.1176.4169.8-100.9000108.6E80 P84E80-F82 PolarHBondContact O-N 2.72Å; E80-F82 VanDerWaalsContact O-N 3.16Å; F82-P84 HydrophobicContact CD1-CG 4.47Å; F82-P84 HydrophobicContact CE1-CB 4.49Å; F82-P84 HydrophobicContact CE1-CG 4.07Å; F82-P84 WeakPolarHBondContact O-CD 3.49Å
83I80.4Confident71.2Confident99 Ų99121.4 Ų121.451%0.50860%0.599SS.*  trans-90.2117.2173.7-56.3175.5000107.3E81 V87 A88E81-I83 WeakPolarHBondContact O-CG1 3.19Å; E81-I83 PolarHBondContact O-N 3.19Å; I83-V87 HydrophobicContact CG2-CB 3.74Å; I83-V87 HydrophobicContact CG2-CG1 3.81Å; I83-A88 HydrophobicContact CB-CB 4.41Å; I83-A88 HydrophobicContact CG2-CB 3.79Å
84P84.6Confident73.3Confident42 Ų42115.6 Ų115.627%0.27356%0.564SS.*  trans-57.3146.4174.8-24.834.8000111.7F82 H86 V87 A88F82-P84 HydrophobicContact CD1-CG 4.47Å; F82-P84 HydrophobicContact CE1-CB 4.49Å; F82-P84 HydrophobicContact CE1-CG 4.07Å; F82-P84 WeakPolarHBondContact O-CD 3.49Å; P84-H86 WeakPolarHBondContact CB-CE1 3.44Å; P84-H86 WeakPolarHBondContact CB-ND1 3.32Å; P84-H86 PolarHBondContact O-N 2.93Å; P84-H86 VanDerWaalsContact O-N 3.15Å; P84-V87 HydrophobicContact CB-CG2 4.36Å; P84-V87 HydrophobicContact CG-CG2 4.46Å; P84-V87 WeakPolarHBondContact O-CA 3.1Å; P84-V87 WeakPolarHBondContact O-CB 3.37Å; P84-V87 PolarHBondContact O-N 3.4Å; P84-A88 PolarHBondContact O-N 3Å
85A78.6Confident75.6Confident62 Ų62109.1 Ų109.151%0.51254%0.538SS..Hα-helixtrans-52.9-40-178.600000113.3V87 A88 L89A85-V87 PolarHBondContact O-N 3.44Å; A85-A88 PolarHBondContact O-N 3.41Å; A85-L89 HydrophobicContact CB-CD1 4.41Å; A85-L89 VanDerWaalsContact O-CB 3.27Å; A85-L89 WeakPolarHBondContact O-CB 3.44Å; A85-L89 PolarHBondContact O-N 3.16Å
86H79.7Confident78Confident108 Ų108102 Ų10250%0.550%0.5SS..Hα-helixtrans-64.5-20.4177.669.2-91.1000113.9P84 E124P84-H86 WeakPolarHBondContact CB-CE1 3.44Å; P84-H86 WeakPolarHBondContact CB-ND1 3.32Å; P84-H86 PolarHBondContact O-N 2.93Å; P84-H86 VanDerWaalsContact O-N 3.15Å; H86-E124 HydrophobicContact CB-CG 3.91Å
87V84.8Confident80.3Confident83 Ų8396 Ų9650%0.50347%0.472SS..Hα-helixtrans-92.7-43.6174.9-176.80000110.6I83 P84 A85 L89I83-V87 HydrophobicContact CG2-CB 3.74Å; I83-V87 HydrophobicContact CG2-CG1 3.81Å; P84-V87 HydrophobicContact CB-CG2 4.36Å; P84-V87 HydrophobicContact CG-CG2 4.46Å; P84-V87 WeakPolarHBondContact O-CA 3.1Å; P84-V87 WeakPolarHBondContact O-CB 3.37Å; P84-V87 PolarHBondContact O-N 3.4Å; A85-V87 PolarHBondContact O-N 3.44Å; V87-L89 VanDerWaalsContact C-N 3.32Å; V87-L89 PolarHBondContact O-N 2.84Å
88A85.3Confident82.7Confident44 Ų4491.9 Ų91.936%0.36445%0.446SS..Hα-helixtrans-68.6-30.7-178.800000113.4I83 P84 A85 K92I83-A88 HydrophobicContact CB-CB 4.41Å; I83-A88 HydrophobicContact CG2-CB 3.79Å; P84-A88 PolarHBondContact O-N 3Å; A85-A88 PolarHBondContact O-N 3.41Å; A88-K92 PolarHBondContact O-NZ 3.11Å
89L87.1Confident84.7Confident47 Ų4783.6 Ų83.625%0.24641%0.407CS..THydrogen-bonded Turntrans-109.211.2-176.6-55.8172.4000112.6A85 V87 K91 K92 L123A85-L89 HydrophobicContact CB-CD1 4.41Å; A85-L89 VanDerWaalsContact O-CB 3.27Å; A85-L89 WeakPolarHBondContact O-CB 3.44Å; A85-L89 PolarHBondContact O-N 3.16Å; V87-L89 VanDerWaalsContact C-N 3.32Å; V87-L89 PolarHBondContact O-N 2.84Å; L89-K91 PolarHBondContact O-N 2.98Å; L89-K92 HydrophobicContact CD2-CD 4.05Å; L89-K92 PolarHBondContact O-N 3.48Å; L89-K92 VanDerWaalsContact O-N 3.14Å; L89-L123 HydrophobicContact CB-CB 4Å; L89-L123 HydrophobicContact CD1-CB 4.2Å; L89-L123 WeakPolarHBondContact CD1-O 3.11Å; L89-L123 HydrophobicContact CG-CB 4.47Å
90D86.3Confident86.8Confident77 Ų7774.3 Ų74.341%0.41237%0.371SS..THydrogen-bonded Turntrans-55134.5175.8-176.934.5000110.5K92D90-K92 PolarHBondContact O-N 3.23Å
91K87.3Confident88.2Confident175 Ų17572 Ų7276%0.76136%0.358SS*.THydrogen-bonded Turntrans59.22.9-177.8-57.1169.1-168.4169.20116.4L89 V93L89-K91 PolarHBondContact O-N 2.98Å; K91-V93 PolarHBondContact O-N 3.2Å
92K91.4Very high89.1Confident90 Ų9067 Ų6739%0.39134%0.335SS..  trans-80.7110.4170.7-60.8-172.9-174.5170.40108.7A88 L89 D90 L123 F186A88-K92 PolarHBondContact O-NZ 3.11Å; L89-K92 HydrophobicContact CD2-CD 4.05Å; L89-K92 PolarHBondContact O-N 3.48Å; L89-K92 VanDerWaalsContact O-N 3.14Å; D90-K92 PolarHBondContact O-N 3.23Å; K92-L123 HydrophobicContact CB-CB 4.44Å; K92-L123 HydrophobicContact CB-CD1 3.85Å; K92-L123 WeakPolarHBondContact O-CB 3.39Å; K92-L123 PolarHBondContact O-N 3.14Å; K92-F186 HydrophobicContact CB-CE1 4.48Å; K92-F186 HydrophobicContact CB-CZ 4.09Å; K92-F186 HydrophobicContact CG-CZ 4.36Å
93V95.4Very high89.7Confident37 Ų3766.5 Ų66.522%0.22434%0.335CS..EExtended strand (participates in β ladder)trans-126.5125-175.7-174.30000108.9K91 Y120 Y121 Y122 F186K91-V93 PolarHBondContact O-N 3.2Å; V93-Y120 HydrophobicContact CG1-CD1 3.91Å; V93-Y120 HydrophobicContact CG1-CG 4.4Å; V93-Y121 CarbonylContact C-O 3.36Å; V93-Y121 WeakPolarHBondContact CA-O 3.37Å; V93-Y121 WeakPolarHBondContact CG1-O 3.37Å; V93-Y122 HydrophobicContact CB-CD1 4.48Å; V93-Y122 HydrophobicContact CG1-CD1 4.13Å; V93-Y122 HydrophobicContact CG1-CE1 4.14Å; V93-Y122 HydrophobicContact CG1-CG 4.39Å; V93-Y122 HydrophobicContact CG2-CD1 3.52Å; V93-Y122 HydrophobicContact CG2-CE1 3.78Å; V93-Y122 HydrophobicContact CG2-CG 4.34Å; V93-F186 WeakPolarHBondContact O-CD1 3.37Å; V93-F186 WeakPolarHBondContact O-CE1 3.42Å
94L95.6Very high90Very high0 Ų063.5 Ų63.50%032%0.32CS..EExtended strand (participates in β ladder)trans-81.4132.3171.6-52177.9000109.1F96 Y120 Y121 L123 W162 F186 T187 F190 M191L94-F96 HydrophobicContact CB-CE2 3.94Å; L94-Y120 CarbonylContact O-C 3.54Å; L94-Y120 VanDerWaalsContact O-CA 3.31Å; L94-Y120 WeakPolarHBondContact O-CA 3.4Å; L94-Y121 HydrophobicContact CD1-CD1 4.27Å; L94-Y121 PolarHBondContact N-O 2.82Å; L94-Y121 PolarHBondContact O-N 2.95Å; L94-L123 HydrophobicContact CD1-CD2 3.95Å; L94-L123 HydrophobicContact CD1-CG 4.4Å; L94-L123 HydrophobicContact CD2-CD1 4.06Å; L94-L123 HydrophobicContact CG-CD1 4.17Å; L94-L123 HydrophobicContact CG-CD2 4.2Å; L94-L123 HydrophobicContact CG-CG 4.1Å; L94-W162 HydrophobicContact CD1-CB 3.66Å; L94-W162 HydrophobicContact CD1-CG 4.46Å; L94-F186 HydrophobicContact CD2-CD1 4.41Å; L94-F186 HydrophobicContact CD2-CE1 3.98Å; L94-T187 HydrophobicContact CB-CG2 3.38Å; L94-T187 HydrophobicContact CD2-CG2 3.7Å; L94-T187 HydrophobicContact CG-CG2 4.12Å; L94-F190 HydrophobicContact CD1-CD1 4.04Å; L94-F190 HydrophobicContact CD1-CE1 4.05Å; L94-F190 HydrophobicContact CD2-CB 3.97Å; L94-F190 HydrophobicContact CD2-CD1 3.4Å; L94-F190 HydrophobicContact CD2-CE1 4.03Å; L94-F190 HydrophobicContact CD2-CG 3.73Å; L94-F190 HydrophobicContact CG-CD1 4.32Å; L94-M191 HydrophobicContact CD1-CE 3.86Å
95R96.9Very high90.1Very high74 Ų7468.3 Ų68.328%0.27934%0.342SS..EExtended strand (participates in β ladder)trans-121.3120.6-179.1-178.7-174.7-177.3-169.8-0.9110.6Y97 T118 I119 Y120 D184 T187R95-Y97 PolarHBondContact NE-OH 3.05Å; R95-Y97 PolarHBondContact NH1-OH 3.02Å; R95-Y97 PolarHBondContact NH2-OH 2.83Å; R95-T118 HydrophobicContact CG-CG2 3.67Å; R95-I119 WeakPolarHBondContact CA-O 3.45Å; R95-Y120 HydrophobicContact CB-CD1 4.12Å; R95-Y120 HydrophobicContact CB-CE1 4.14Å; R95-Y120 HydrophobicContact CG-CD1 4.06Å; R95-Y120 HydrophobicContact CG-CE1 3.71Å; R95-D184 HydrophobicContact CB-CB 3.97Å; R95-D184 HydrophobicContact CG-CB 4.41Å; R95-D184 IonicContact NH1-OD2 2.81Å; R95-D184 PolarHBondContact O-N 2.98Å; R95-T187 PolarHBondContact O-OG1 2.66Å
96F96Very high90.1Very high0 Ų074.2 Ų74.20%036%0.359CS..EExtended strand (participates in β ladder)trans-113.7146.1174.6-61.3-86.7000110.6L94 T118 I119 L165 L167 I180 C183 M191L94-F96 HydrophobicContact CB-CE2 3.94Å; F96-T118 CarbonylContact O-C 3.5Å; F96-T118 WeakPolarHBondContact O-CA 3.35Å; F96-I119 HydrophobicContact CB-CB 4.24Å; F96-I119 PolarHBondContact N-O 3.23Å; F96-I119 PolarHBondContact O-N 3.02Å; F96-L165 HydrophobicContact CD2-CD1 4.3Å; F96-L165 HydrophobicContact CE2-CB 4.29Å; F96-L165 HydrophobicContact CE2-CD1 3.81Å; F96-L165 HydrophobicContact CZ-CB 4.11Å; F96-L165 HydrophobicContact CZ-CD1 4.44Å; F96-L167 HydrophobicContact CD1-CD2 4.45Å; F96-I180 HydrophobicContact CB-CG2 4.06Å; F96-I180 HydrophobicContact CD1-CG2 3.91Å; F96-I180 HydrophobicContact CG-CG2 4.32Å; F96-C183 HydrophobicContact CD1-CB 3.65Å; F96-C183 HydrophobicContact CE1-CB 3.97Å; F96-M191 HydrophobicContact CE2-CE 4.5Å; F96-M191 HydrophobicContact CZ-CE 3.65Å
97Y96.2Very high90.2Very high69 Ų6971 Ų7127%0.27135%0.348SS..EExtended strand (participates in β ladder)trans-101.8137.8169.9-57.1-74.5000108.8R95 T118 S181 D182R95-Y97 PolarHBondContact NE-OH 3.05Å; R95-Y97 PolarHBondContact NH1-OH 3.02Å; R95-Y97 PolarHBondContact NH2-OH 2.83Å; Y97-T118 HydrophobicContact CD1-CG2 4.43Å; Y97-T118 HydrophobicContact CE1-CG2 4.38Å; Y97-S181 PolarHBondContact O-N 3.12Å; Y97-S181 PolarHBondContact O-OG 3.05Å; Y97-S181 VanDerWaalsContact O-OG 3.08Å; Y97-D182 HydrophobicContact CD2-CB 4.18Å; Y97-D182 PolarHBondContact N-O 2.92Å; Y97-D182 PolarHBondContact O-N 2.89Å; Y97-D182 VanDerWaalsContact O-N 3.15Å
98G94.9Very high89.9Confident3 Ų373.3 Ų73.33%0.03137%0.365CS..EExtended strand (participates in β ladder)trans-155.5-176.3177.700000112P116 V117 R179G98-P116 CarbonylContact O-C 3.19Å; G98-V117 PolarHBondContact N-O 3.36Å; G98-V117 PolarHBondContact O-N 3.3Å; G98-V117 VanDerWaalsContact O-O 3.05Å; G98-R179 CarbonylContact C-O 3.17Å; G98-R179 WeakPolarHBondContact CA-O 3.35Å
99H94.6Very high89.3Confident7 Ų772.9 Ų72.93%0.03236%0.362CS..EExtended strand (participates in β ladder)trans-148.2159.2175.363-79.1000110.3V114 R115 R179 T204 P205H99-V114 HydrophobicContact CB-CG1 3.96Å; H99-R115 VanDerWaalsContact CA-O 3.29Å; H99-R115 WeakPolarHBondContact CA-O 3.48Å; H99-R179 PolarHBondContact N-O 3.44Å; H99-R179 PolarHBondContact O-N 3.45Å; H99-T204 HydrophobicContact CB-CG2 3.89Å; H99-T204 VanDerWaalsContact ND1-CG2 3.34Å; H99-T204 WeakPolarHBondContact ND1-CG2 3.29Å; H99-P205 WeakPolarHBondContact CE1-CD 2.91Å; H99-P205 WeakPolarHBondContact NE2-CD 3.4Å; H99-P205 WeakPolarHBondContact NE2-CG 3.32Å
100F94.4Very high89Confident6 Ų671.2 Ų71.23%0.02635%0.353CS..EExtended strand (participates in β ladder)trans-129.5154.416770.9-79.9000109.5E102 R115 V117 R145 T176 T177 Y178F100-E102 HydrophobicContact CE2-CB 4.14Å; F100-R115 HydrophobicContact CD1-CB 4.04Å; F100-R115 HydrophobicContact CE1-CB 3.45Å; F100-R115 VanDerWaalsContact CE1-CB 3.45Å; F100-R115 HydrophobicContact CE1-CG 4.47Å; F100-R115 HydrophobicContact CE2-CB 4.28Å; F100-R115 HydrophobicContact CZ-CB 3.59Å; F100-R115 HydrophobicContact CZ-CG 4.13Å; F100-R115 PolarHBondContact N-O 2.86Å; F100-R115 VanDerWaalsContact N-O 3.09Å; F100-R115 PolarHBondContact O-N 3.01Å; F100-V117 HydrophobicContact CD1-CG1 3.83Å; F100-V117 HydrophobicContact CE1-CG1 3.8Å; F100-R145 VanDerWaalsContact CZ-NH1 3.31Å; F100-T176 HydrophobicContact CB-CG2 3.97Å; F100-T176 HydrophobicContact CD2-CG2 3.79Å; F100-T176 HydrophobicContact CE2-CG2 4.49Å; F100-T176 HydrophobicContact CG-CG2 3.89Å; F100-T177 VanDerWaalsContact CB-O 3.25Å; F100-T177 WeakPolarHBondContact CB-O 3.34Å; F100-Y178 HydrophobicContact CB-CD1 3.91Å; F100-Y178 HydrophobicContact CB-CE1 4.25Å; F100-Y178 AromaticContact CD1-CD1 3.89Å; F100-Y178 HydrophobicContact CD1-CD1 3.89Å; F100-Y178 AromaticContact CD1-CE1 3.63Å; F100-Y178 HydrophobicContact CD1-CE1 3.63Å; F100-Y178 HydrophobicContact CE1-CE1 4.25Å; F100-Y178 HydrophobicContact CG-CD1 4.2Å; F100-Y178 HydrophobicContact CG-CE1 4.06Å
101K92.5Very high89.1Confident132 Ų13272 Ų7257%0.57436%0.364SS*.EExtended strand (participates in β ladder)trans-97.8129.9177.5-65.2-179.7-176.9173.30109R113K101-R113 WeakPolarHBondContact CA-O 3.4Å
102E91.1Very high89.3Confident69 Ų6968.1 Ų68.132%0.32235%0.345SS..EExtended strand (participates in β ladder)trans-114116.6176.5-174.1172-17200108.6F100 Y112 R113 R115F100-E102 HydrophobicContact CE2-CB 4.14Å; E102-Y112 CarbonylContact O-C 3.57Å; E102-Y112 VanDerWaalsContact O-CA 3.26Å; E102-Y112 WeakPolarHBondContact O-CA 3.35Å; E102-R113 PolarHBondContact N-O 2.78Å; E102-R113 PolarHBondContact O-N 3.32Å; E102-R115 IonicContact OE1-NH1 3.66Å; E102-R115 WeakPolarHBondContact OE2-CD 3.18Å; E102-R115 IonicContact OE2-CZ 2.78Å; E102-R115 IonicContact OE2-NE 2.71Å; E102-R115 IonicContact OE2-NH1 2.85Å; E102-R115 PolarHBondContact OE2-NH1 3.27Å
103E90Very high89.2Confident173 Ų17366.7 Ų66.781%0.80834%0.338SS*.EExtended strand (participates in β ladder)trans-76.4138.6178.8-65-174.1170.100111
104I88.1Confident89Confident36 Ų3665.5 Ų65.519%0.18533%0.33CS..  trans-122.4121.9-178.8-60.3-177.3000109.8E110 S111 R113I104-E110 HydrophobicContact CD1-CG 3.99Å; I104-S111 PolarHBondContact N-O 3.04Å; I104-R113 HydrophobicContact CD1-CB 4.39Å; I104-R113 VanDerWaalsContact CD1-CD 3.46Å; I104-R113 HydrophobicContact CD1-CG 3.54Å
105L85.2Confident88.8Confident142 Ų14266.4 Ų66.474%0.74333%0.333SS*.SBendtrans-87.7140175-61.1172.9000110.4S107L105-S107 PolarHBondContact O-N 2.83Å
106H80.3Confident88.6Confident186 Ų18665.4 Ų65.486%0.86134%0.337SS*.SBendtrans62.825.7169.3-50.4-65.5000117.5
107S80.2Confident88.6Confident40 Ų4065.5 Ų65.528%0.2834%0.337SS..  trans-93.6128.5169.5177.20000111.2L105 A109 E110L105-S107 PolarHBondContact O-N 2.83Å; S107-A109 PolarHBondContact O-N 3.19Å; S107-A109 PolarHBondContact OG-N 3.38Å; S107-E110 WeakPolarHBondContact CB-O 3.29Å; S107-E110 PolarHBondContact OG-N 3.35Å
108P78.4Confident88.6Confident133 Ų13362.9 Ų62.986%0.86433%0.328SS*.SBendtrans-70.3-17.2171.428.9-33.3000112.1
109A73.5Confident88.7Confident35 Ų3562.7 Ų62.729%0.28933%0.327SS..SBendtrans-92-25.1-173.200000113.7S107 R212S107-A109 PolarHBondContact O-N 3.19Å; S107-A109 PolarHBondContact OG-N 3.38Å; A109-R212 PolarHBondContact O-NH1 3.14Å
110E81.3Confident88.8Confident12 Ų1265.1 Ų65.16%0.05634%0.336CS..  trans-164.2158.3-175.268-157.2139.200111.8I104 S107 R113 Y209I104-E110 HydrophobicContact CD1-CG 3.99Å; S107-E110 WeakPolarHBondContact CB-O 3.29Å; S107-E110 PolarHBondContact OG-N 3.35Å; E110-R113 IonicContact OE1-CZ 3.96Å; E110-R113 IonicContact OE1-NE 2.83Å; E110-R113 PolarHBondContact OE1-NE 3.08Å; E110-R113 IonicContact OE1-NH2 3.68Å; E110-R113 PolarHBondContact OE1-NH2 3.23Å; E110-R113 WeakPolarHBondContact OE2-CG 3.33Å; E110-R113 IonicContact OE2-NE 3.61Å; E110-R113 PolarHBondContact OE2-NE 2.59Å; E110-Y209 WeakPolarHBondContact OE2-CB 3.22Å
111S88.4Confident88.9Confident92 Ų9264.8 Ų64.864%0.64334%0.335SS*.SBendtrans-109.1-23.4175.5-51.20000113.1I104I104-S111 PolarHBondContact N-O 3.04Å
112Y89.9Confident89Confident94 Ų9460.9 Ų60.937%0.36932%0.317SS..EExtended strand (participates in β ladder)trans-152.7157.7174.966.6-89.4000109.5E102 V114 P208E102-Y112 CarbonylContact O-C 3.57Å; E102-Y112 VanDerWaalsContact O-CA 3.26Å; E102-Y112 WeakPolarHBondContact O-CA 3.35Å; Y112-V114 HydrophobicContact CD2-CG2 4.19Å; Y112-V114 HydrophobicContact CE2-CG2 3.92Å; Y112-P208 HydrophobicContact CE1-CG 4.27Å; Y112-P208 HydrophobicContact CE2-CG 4.12Å
113R89.8Confident89.1Confident61 Ų6158 Ų5823%0.2330%0.303CS..EExtended strand (participates in β ladder)trans-116.4150.1171.7-73.9179.2-168.1150.13.6111.1K101 E102 I104 E110 D207K101-R113 WeakPolarHBondContact CA-O 3.4Å; E102-R113 PolarHBondContact N-O 2.78Å; E102-R113 PolarHBondContact O-N 3.32Å; I104-R113 HydrophobicContact CD1-CB 4.39Å; I104-R113 VanDerWaalsContact CD1-CD 3.46Å; I104-R113 HydrophobicContact CD1-CG 3.54Å; E110-R113 IonicContact OE1-CZ 3.96Å; E110-R113 IonicContact OE1-NE 2.83Å; E110-R113 PolarHBondContact OE1-NE 3.08Å; E110-R113 IonicContact OE1-NH2 3.68Å; E110-R113 PolarHBondContact OE1-NH2 3.23Å; E110-R113 WeakPolarHBondContact OE2-CG 3.33Å; E110-R113 IonicContact OE2-NE 3.61Å; E110-R113 PolarHBondContact OE2-NE 2.59Å; R113-D207 WeakPolarHBondContact CA-OD2 2.94Å
114V91.6Very high89.1Confident11 Ų1152.9 Ų52.97%0.06728%0.28CS..EExtended strand (participates in β ladder)trans-109.1111.4172.8-177.70000107.8H99 Y112 P205 D207H99-V114 HydrophobicContact CB-CG1 3.96Å; Y112-V114 HydrophobicContact CD2-CG2 4.19Å; Y112-V114 HydrophobicContact CE2-CG2 3.92Å; V114-P205 HydrophobicContact CG1-CG 3.98Å; V114-P205 HydrophobicContact CG2-CG 4.14Å; V114-D207 HydrophobicContact CB-CB 4.2Å; V114-D207 PolarHBondContact N-OD2 3.37Å
115R92.1Very high89.3Confident19 Ų1954.4 Ų54.47%0.07229%0.288CS..EExtended strand (participates in β ladder)trans-104.1114.2-176.9-69.3179.972.3169.57.9110.1H99 F100 E102 E132 P141H99-R115 VanDerWaalsContact CA-O 3.29Å; H99-R115 WeakPolarHBondContact CA-O 3.48Å; F100-R115 HydrophobicContact CD1-CB 4.04Å; F100-R115 HydrophobicContact CE1-CB 3.45Å; F100-R115 VanDerWaalsContact CE1-CB 3.45Å; F100-R115 HydrophobicContact CE1-CG 4.47Å; F100-R115 HydrophobicContact CE2-CB 4.28Å; F100-R115 HydrophobicContact CZ-CB 3.59Å; F100-R115 HydrophobicContact CZ-CG 4.13Å; F100-R115 PolarHBondContact N-O 2.86Å; F100-R115 VanDerWaalsContact N-O 3.09Å; F100-R115 PolarHBondContact O-N 3.01Å; E102-R115 IonicContact OE1-NH1 3.66Å; E102-R115 WeakPolarHBondContact OE2-CD 3.18Å; E102-R115 IonicContact OE2-CZ 2.78Å; E102-R115 IonicContact OE2-NE 2.71Å; E102-R115 IonicContact OE2-NH1 2.85Å; E102-R115 PolarHBondContact OE2-NH1 3.27Å; R115-E132 IonicContact CZ-OE1 3.84Å; R115-E132 IonicContact CZ-OE2 3.39Å; R115-E132 VanDerWaalsContact CZ-OE2 3.28Å; R115-E132 IonicContact NE-OE1 2.99Å; R115-E132 PolarHBondContact NE-OE1 3.14Å; R115-E132 IonicContact NE-OE2 2.89Å; R115-E132 PolarHBondContact NE-OE2 3.24Å; R115-E132 IonicContact NH2-OE1 3.27Å; R115-E132 PolarHBondContact NH2-OE1 3Å; R115-E132 IonicContact NH2-OE2 3.76Å; R115-E132 PolarHBondContact NH2-OE2 2.93Å; R115-P141 PolarHBondContact NH2-O 3.43Å
116P93.2Very high89.6Confident53 Ų5350 Ų5034%0.34427%0.265SS..EExtended strand (participates in β ladder)trans-69.6146.5177.629.5-34000110.1G98 P133G98-P116 CarbonylContact O-C 3.19Å; P116-P133 HydrophobicContact CB-CG 4.32Å; P116-P133 HydrophobicContact CG-CG 4.03Å; P116-P133 VanDerWaalsContact O-CD 3.23Å; P116-P133 WeakPolarHBondContact O-CD 3.28Å
117V95.1Very high90.3Very high3 Ų341.2 Ų41.22%0.01823%0.225CC..EExtended strand (participates in β ladder)trans-139151.5175.7-65.70000110.5G98 F100 I119 I130 I131 Y178G98-V117 PolarHBondContact N-O 3.36Å; G98-V117 PolarHBondContact O-N 3.3Å; G98-V117 VanDerWaalsContact O-O 3.05Å; F100-V117 HydrophobicContact CD1-CG1 3.83Å; F100-V117 HydrophobicContact CE1-CG1 3.8Å; V117-I119 HydrophobicContact CG2-CG1 4.44Å; V117-I130 HydrophobicContact CB-CG2 3.8Å; V117-I130 HydrophobicContact CG1-CG2 4.06Å; V117-I130 HydrophobicContact CG2-CG2 4.16Å; V117-I131 CarbonylContact C-O 3.49Å; V117-Y178 HydrophobicContact CG1-CD1 4.42Å; V117-Y178 HydrophobicContact CG1-CE1 4.21Å; V117-Y178 HydrophobicContact CG2-CD1 3.74Å; V117-Y178 HydrophobicContact CG2-CE1 4.3Å
118T96.4Very high91Very high13 Ų1339.3 Ų39.38%0.0821%0.211CC..EExtended strand (participates in β ladder)trans-111.8123.1168.7-52.20000108.3R95 F96 Y97 Y120 I131R95-T118 HydrophobicContact CG-CG2 3.67Å; F96-T118 CarbonylContact O-C 3.5Å; F96-T118 WeakPolarHBondContact O-CA 3.35Å; Y97-T118 HydrophobicContact CD1-CG2 4.43Å; Y97-T118 HydrophobicContact CE1-CG2 4.38Å; T118-Y120 HydrophobicContact CG2-CD2 4.25Å; T118-Y120 HydrophobicContact CG2-CE1 4.2Å; T118-Y120 HydrophobicContact CG2-CE2 3.57Å; T118-I131 PolarHBondContact N-O 3.2Å; T118-I131 PolarHBondContact O-N 3.19Å
119I96.6Very high91.8Very high0 Ų033.3 Ų33.30%017%0.172CC..EExtended strand (participates in β ladder)trans-102.5123.4179.6-59.6156.7000107.2R95 F96 V117 M128 I130 L171 I180R95-I119 WeakPolarHBondContact CA-O 3.45Å; F96-I119 HydrophobicContact CB-CB 4.24Å; F96-I119 PolarHBondContact N-O 3.23Å; F96-I119 PolarHBondContact O-N 3.02Å; V117-I119 HydrophobicContact CG2-CG1 4.44Å; I119-M128 HydrophobicContact CG2-CE 3.56Å; I119-I130 HydrophobicContact CG1-CD1 4.13Å; I119-I130 HydrophobicContact CG1-CG1 4.06Å; I119-I130 HydrophobicContact CG1-CG2 4.21Å; I119-I130 HydrophobicContact CG2-CG1 4.41Å; I119-L171 HydrophobicContact CD1-CD2 3.92Å; I119-L171 HydrophobicContact CG2-CD2 4.37Å; I119-I180 HydrophobicContact CD1-CG1 4.1Å
120Y96.6Very high92.9Very high57 Ų5731.6 Ų31.622%0.22416%0.159CC..EExtended strand (participates in β ladder)trans-107.6134.5173.5-62.7-86.2000109.3V93 L94 R95 T118 M128 C129 I131V93-Y120 HydrophobicContact CG1-CD1 3.91Å; V93-Y120 HydrophobicContact CG1-CG 4.4Å; L94-Y120 CarbonylContact O-C 3.54Å; L94-Y120 VanDerWaalsContact O-CA 3.31Å; L94-Y120 WeakPolarHBondContact O-CA 3.4Å; R95-Y120 HydrophobicContact CB-CD1 4.12Å; R95-Y120 HydrophobicContact CB-CE1 4.14Å; R95-Y120 HydrophobicContact CG-CD1 4.06Å; R95-Y120 HydrophobicContact CG-CE1 3.71Å; T118-Y120 HydrophobicContact CG2-CD2 4.25Å; T118-Y120 HydrophobicContact CG2-CE1 4.2Å; T118-Y120 HydrophobicContact CG2-CE2 3.57Å; Y120-M128 CarbonylContact O-C 3.54Å; Y120-M128 WeakPolarHBondContact O-CA 3.43Å; Y120-M128 WeakPolarHBondContact O-CB 3.43Å; Y120-C129 PolarHBondContact N-O 2.77Å; Y120-C129 PolarHBondContact O-N 3.34Å; Y120-I131 HydrophobicContact CD2-CD1 4.08Å; Y120-I131 HydrophobicContact CD2-CG1 4.3Å; Y120-I131 HydrophobicContact CE2-CB 4.44Å; Y120-I131 HydrophobicContact CE2-CD1 3.83Å; Y120-I131 HydrophobicContact CE2-CG1 4.22Å
121Y95.6Very high93.6Very high0 Ų033.1 Ų33.10%017%0.166CC..EExtended strand (participates in β ladder)trans-119.6120.3172.8-175.8-71.6000108.5V93 L94 L123 D126 S127 M128 N161 W162 L165V93-Y121 CarbonylContact C-O 3.36Å; V93-Y121 WeakPolarHBondContact CA-O 3.37Å; V93-Y121 WeakPolarHBondContact CG1-O 3.37Å; L94-Y121 HydrophobicContact CD1-CD1 4.27Å; L94-Y121 PolarHBondContact N-O 2.82Å; L94-Y121 PolarHBondContact O-N 2.95Å; Y121-L123 HydrophobicContact CD1-CD2 4.22Å; Y121-L123 HydrophobicContact CE1-CD2 4.12Å; Y121-D126 WeakPolarHBondContact OH-CA 3.45Å; Y121-D126 VanDerWaalsContact OH-CB 3.28Å; Y121-D126 WeakPolarHBondContact OH-CB 3.45Å; Y121-D126 PolarHBondContact OH-OD1 3.28Å; Y121-D126 VanDerWaalsContact OH-OD1 3.08Å; Y121-S127 WeakPolarHBondContact CA-O 3.41Å; Y121-M128 HydrophobicContact CD2-CE 4.15Å; Y121-M128 HydrophobicContact CD2-CG 3.28Å; Y121-M128 HydrophobicContact CD2-SD 3.59Å; Y121-M128 VanDerWaalsContact CD2-SD 3.59Å; Y121-M128 HydrophobicContact CE2-CG 3.87Å; Y121-M128 HydrophobicContact CE2-SD 3.99Å; Y121-M128 HydrophobicContact CG-CG 4.01Å; Y121-N161 WeakPolarHBondContact OH-CA 3.41Å; Y121-W162 HydrophobicContact CD1-CB 4.04Å; Y121-W162 HydrophobicContact CE1-CB 3.74Å; Y121-W162 AromaticContact CE1-CD1 3.99Å; Y121-W162 HydrophobicContact CE1-CG 4.29Å; Y121-W162 HydrophobicContact CE2-CB 4.38Å; Y121-W162 VanDerWaalsContact CZ-N 3.26Å; Y121-W162 PolarHBondContact OH-N 2.83Å; Y121-L165 HydrophobicContact CD2-CD1 3.84Å; Y121-L165 HydrophobicContact CG-CD1 4.44Å
122Y95.6Very high93.9Very high50 Ų5029 Ų2920%0.19614%0.137CC..EExtended strand (participates in β ladder)trans-92.9116.2-177.2-61.5-97.4000108.8V93 E124 D125 D126 S127 C129 R148V93-Y122 HydrophobicContact CB-CD1 4.48Å; V93-Y122 HydrophobicContact CG1-CD1 4.13Å; V93-Y122 HydrophobicContact CG1-CE1 4.14Å; V93-Y122 HydrophobicContact CG1-CG 4.39Å; V93-Y122 HydrophobicContact CG2-CD1 3.52Å; V93-Y122 HydrophobicContact CG2-CE1 3.78Å; V93-Y122 HydrophobicContact CG2-CG 4.34Å; Y122-E124 PolarHBondContact O-N 3.34Å; Y122-D125 WeakPolarHBondContact CB-OD1 3.39Å; Y122-D126 WeakPolarHBondContact O-CA 3.3Å; Y122-D126 PolarHBondContact O-N 2.58Å; Y122-D126 VanDerWaalsContact O-N 3.09Å; Y122-S127 WeakPolarHBondContact CD2-O 3.36Å; Y122-S127 PolarHBondContact N-O 3.11Å; Y122-C129 HydrophobicContact CE2-CB 4.43Å; Y122-C129 PolarHBondContact OH-SG 3.15Å; Y122-R148 HydrophobicContact CD2-CG 4Å; Y122-R148 HydrophobicContact CE2-CG 3.94Å
123L92.7Very high94Very high8 Ų827.1 Ų27.14%0.04214%0.136CC..THydrogen-bonded Turntrans-70.4-18.1-178.1-70.8170.9000113.1L89 K92 L94 Y121 W162 F190L89-L123 HydrophobicContact CB-CB 4Å; L89-L123 HydrophobicContact CD1-CB 4.2Å; L89-L123 WeakPolarHBondContact CD1-O 3.11Å; L89-L123 HydrophobicContact CG-CB 4.47Å; K92-L123 HydrophobicContact CB-CB 4.44Å; K92-L123 HydrophobicContact CB-CD1 3.85Å; K92-L123 WeakPolarHBondContact O-CB 3.39Å; K92-L123 PolarHBondContact O-N 3.14Å; L94-L123 HydrophobicContact CD1-CD2 3.95Å; L94-L123 HydrophobicContact CD1-CG 4.4Å; L94-L123 HydrophobicContact CD2-CD1 4.06Å; L94-L123 HydrophobicContact CG-CD1 4.17Å; L94-L123 HydrophobicContact CG-CD2 4.2Å; L94-L123 HydrophobicContact CG-CG 4.1Å; Y121-L123 HydrophobicContact CD1-CD2 4.22Å; Y121-L123 HydrophobicContact CE1-CD2 4.12Å; L123-W162 HydrophobicContact CD2-CB 4.42Å; L123-W162 HydrophobicContact CD2-CG 4.13Å; L123-F190 HydrophobicContact CD1-CD1 4.49Å; L123-F190 HydrophobicContact CD1-CD2 4.18Å; L123-F190 HydrophobicContact CD1-CE1 4.01Å; L123-F190 HydrophobicContact CD1-CE2 3.67Å; L123-F190 HydrophobicContact CD1-CZ 3.57Å; L123-F190 HydrophobicContact CD2-CE1 3.93Å; L123-F190 HydrophobicContact CD2-CZ 3.8Å; L123-F190 HydrophobicContact CG-CZ 4.36Å
124E91.6Very high94Very high66 Ų6629.5 Ų29.531%0.30816%0.163SC..THydrogen-bonded Turntrans-61.2-42.3178-172.6-163.2174.400112.9H86 Y122 R148H86-E124 HydrophobicContact CB-CG 3.91Å; Y122-E124 PolarHBondContact O-N 3.34Å; E124-R148 IonicContact OE2-CZ 3.85Å; E124-R148 IonicContact OE2-NH1 2.82Å; E124-R148 IonicContact OE2-NH2 3.9Å; E124-R148 PolarHBondContact OE2-NH2 2.75Å
125D90.5Very high93.8Very high67 Ų6732.2 Ų32.236%0.35818%0.179SC..THydrogen-bonded Turntrans-140.912.7-166.969.4-23.9000114.5Y122 S127 R148Y122-D125 WeakPolarHBondContact CB-OD1 3.39Å; D125-S127 PolarHBondContact O-N 3.09Å; D125-S127 VanDerWaalsContact O-N 3.11Å; D125-S127 VanDerWaalsContact OD1-CB 3.3Å; D125-S127 WeakPolarHBondContact OD1-CB 3.42Å; D125-S127 PolarHBondContact OD1-N 2.81Å; D125-S127 PolarHBondContact OD1-OG 3.08Å; D125-S127 WeakPolarHBondContact OD2-CB 3.46Å; D125-S127 PolarHBondContact OD2-OG 3.11Å; D125-S127 VanDerWaalsContact OD2-OG 3.11Å; D125-R148 IonicContact OD1-CZ 3.87Å; D125-R148 IonicContact OD1-NE 3.23Å; D125-R148 IonicContact OD1-NH2 3.68Å; D125-R148 PolarHBondContact OD1-NH2 3.42Å; D125-R148 IonicContact OD2-CZ 2.92Å; D125-R148 IonicContact OD2-NE 3.41Å; D125-R148 IonicContact OD2-NH2 3.7Å; D125-R148 PolarHBondContact OD2-NH2 2.71Å
126D92Very high93.3Very high49 Ų4937.1 Ų37.126%0.26221%0.211SC..THydrogen-bonded Turntrans54.226.3-176.4-58.6-34.9000113.7Y121 Y122Y121-D126 WeakPolarHBondContact OH-CA 3.45Å; Y121-D126 VanDerWaalsContact OH-CB 3.28Å; Y121-D126 WeakPolarHBondContact OH-CB 3.45Å; Y121-D126 PolarHBondContact OH-OD1 3.28Å; Y121-D126 VanDerWaalsContact OH-OD1 3.08Å; Y122-D126 WeakPolarHBondContact O-CA 3.3Å; Y122-D126 PolarHBondContact O-N 2.58Å; Y122-D126 VanDerWaalsContact O-N 3.09Å
127S94.4Very high92.7Very high2 Ų240 Ų401%0.01422%0.223CC..EExtended strand (participates in β ladder)trans-89.4156.2178.169.50000111.2Y121 Y122 D125 R148Y121-S127 WeakPolarHBondContact CA-O 3.41Å; Y122-S127 WeakPolarHBondContact CD2-O 3.36Å; Y122-S127 PolarHBondContact N-O 3.11Å; D125-S127 PolarHBondContact O-N 3.09Å; D125-S127 VanDerWaalsContact O-N 3.11Å; D125-S127 VanDerWaalsContact OD1-CB 3.3Å; D125-S127 WeakPolarHBondContact OD1-CB 3.42Å; D125-S127 PolarHBondContact OD1-N 2.81Å; D125-S127 PolarHBondContact OD1-OG 3.08Å; D125-S127 WeakPolarHBondContact OD2-CB 3.46Å; D125-S127 PolarHBondContact OD2-OG 3.11Å; D125-S127 VanDerWaalsContact OD2-OG 3.11Å; S127-R148 VanDerWaalsContact OG-CG 3.22Å; S127-R148 WeakPolarHBondContact OG-CG 3.49Å; S127-R148 PolarHBondContact OG-NE 2.92Å
128M95.2Very high92Very high0 Ų041.6 Ų41.60%024%0.235CC..EExtended strand (participates in β ladder)trans-132152.6176.2-54.9170.368.200111.2I119 Y120 Y121 R148 Q149 L151 L165 L171I119-M128 HydrophobicContact CG2-CE 3.56Å; Y120-M128 CarbonylContact O-C 3.54Å; Y120-M128 WeakPolarHBondContact O-CA 3.43Å; Y120-M128 WeakPolarHBondContact O-CB 3.43Å; Y121-M128 HydrophobicContact CD2-CE 4.15Å; Y121-M128 HydrophobicContact CD2-CG 3.28Å; Y121-M128 HydrophobicContact CD2-SD 3.59Å; Y121-M128 VanDerWaalsContact CD2-SD 3.59Å; Y121-M128 HydrophobicContact CE2-CG 3.87Å; Y121-M128 HydrophobicContact CE2-SD 3.99Å; Y121-M128 HydrophobicContact CG-CG 4.01Å; M128-R148 WeakPolarHBondContact O-CA 3.3Å; M128-Q149 PolarHBondContact N-O 3.08Å; M128-Q149 PolarHBondContact O-N 3.2Å; M128-Q149 VanDerWaalsContact O-O 3.11Å; M128-L151 HydrophobicContact CB-CD1 3.57Å; M128-L151 HydrophobicContact CB-CG 3.84Å; M128-L151 HydrophobicContact CE-CD1 4.06Å; M128-L151 HydrophobicContact CG-CD1 4.2Å; M128-L151 HydrophobicContact CG-CG 4.39Å; M128-L151 HydrophobicContact SD-CB 4.29Å; M128-L151 HydrophobicContact SD-CD1 3.73Å; M128-L151 HydrophobicContact SD-CG 4.15Å; M128-L165 HydrophobicContact CE-CD1 3.81Å; M128-L165 HydrophobicContact CE-CD2 4.26Å; M128-L171 HydrophobicContact CE-CD2 3.94Å
129C95.9Very high91.4Very high7 Ų744.8 Ų44.85%0.04727%0.27CS..EExtended strand (participates in β ladder)trans-134.9149.5166.173.70000110.9Y120 Y122 I146 R148Y120-C129 PolarHBondContact N-O 2.77Å; Y120-C129 PolarHBondContact O-N 3.34Å; Y122-C129 HydrophobicContact CE2-CB 4.43Å; Y122-C129 PolarHBondContact OH-SG 3.15Å; C129-I146 WeakPolarHBondContact CB-O 3.46Å; C129-R148 HydrophobicContact CB-CB 4.27Å
130I96.6Very high90.9Very high0 Ų047.1 Ų47.10%028%0.282CS..EExtended strand (participates in β ladder)trans-120.1123.7179.1-53-169.1000108.1V117 I119 R145 I146 Y178V117-I130 HydrophobicContact CB-CG2 3.8Å; V117-I130 HydrophobicContact CG1-CG2 4.06Å; V117-I130 HydrophobicContact CG2-CG2 4.16Å; I119-I130 HydrophobicContact CG1-CD1 4.13Å; I119-I130 HydrophobicContact CG1-CG1 4.06Å; I119-I130 HydrophobicContact CG1-CG2 4.21Å; I119-I130 HydrophobicContact CG2-CG1 4.41Å; I130-R145 PolarHBondContact O-N 2.84Å; I130-I146 HydrophobicContact CB-CB 4.06Å; I130-I146 HydrophobicContact CB-CD1 4.36Å; I130-I146 HydrophobicContact CB-CG1 4.18Å; I130-I146 HydrophobicContact CD1-CD1 3.69Å; I130-I146 HydrophobicContact CD1-CG1 4.46Å; I130-I146 HydrophobicContact CG1-CB 4.25Å; I130-I146 HydrophobicContact CG1-CD1 4.06Å; I130-I146 HydrophobicContact CG1-CG1 4.38Å; I130-I146 PolarHBondContact N-O 2.99Å; I130-I146 VanDerWaalsContact N-O 3.14Å; I130-I146 PolarHBondContact O-N 3.48Å; I130-Y178 HydrophobicContact CD1-CD2 3.86Å; I130-Y178 HydrophobicContact CD1-CE1 4.35Å; I130-Y178 HydrophobicContact CD1-CE2 3.67Å; I130-Y178 HydrophobicContact CD1-CG 4.3Å; I130-Y178 HydrophobicContact CG2-CE1 4.14Å
131I96.4Very high90.4Very high43 Ų4350 Ų5022%0.22131%0.308CS..EExtended strand (participates in β ladder)trans-124.8125.9-175.2-52.8-173.8000109V117 T118 Y120 K144V117-I131 CarbonylContact C-O 3.49Å; T118-I131 PolarHBondContact N-O 3.2Å; T118-I131 PolarHBondContact O-N 3.19Å; Y120-I131 HydrophobicContact CD2-CD1 4.08Å; Y120-I131 HydrophobicContact CD2-CG1 4.3Å; Y120-I131 HydrophobicContact CE2-CB 4.44Å; Y120-I131 HydrophobicContact CE2-CD1 3.83Å; Y120-I131 HydrophobicContact CE2-CG1 4.22Å; I131-K144 HydrophobicContact CD1-CG 4.17Å; I131-K144 HydrophobicContact CG1-CG 4.18Å
132E94.6Very high90.2Very high7 Ų752.8 Ų52.83%0.03332%0.321CS..EExtended strand (participates in β ladder)trans-84.1123.8169.4-177.5171.3176.600109.3R115 Q142 G143R115-E132 IonicContact CZ-OE1 3.84Å; R115-E132 IonicContact CZ-OE2 3.39Å; R115-E132 VanDerWaalsContact CZ-OE2 3.28Å; R115-E132 IonicContact NE-OE1 2.99Å; R115-E132 PolarHBondContact NE-OE1 3.14Å; R115-E132 IonicContact NE-OE2 2.89Å; R115-E132 PolarHBondContact NE-OE2 3.24Å; R115-E132 IonicContact NH2-OE1 3.27Å; R115-E132 PolarHBondContact NH2-OE1 3Å; R115-E132 IonicContact NH2-OE2 3.76Å; R115-E132 PolarHBondContact NH2-OE2 2.93Å; E132-Q142 HydrophobicContact CG-CB 4.49Å; E132-Q142 HydrophobicContact CG-CG 4.27Å; E132-G143 PolarHBondContact N-O 2.86Å; E132-G143 WeakPolarHBondContact O-CA 3.44Å; E132-G143 PolarHBondContact O-N 3.06Å
133P92.6Very high90Very high53 Ų5351.7 Ų51.734%0.34433%0.325SS..PPolyproline II helixtrans-65.5147.1178.228.9-33000110.9P116 V135 Q142P116-P133 HydrophobicContact CB-CG 4.32Å; P116-P133 HydrophobicContact CG-CG 4.03Å; P116-P133 VanDerWaalsContact O-CD 3.23Å; P116-P133 WeakPolarHBondContact O-CD 3.28Å; P133-V135 PolarHBondContact O-N 3.15Å; P133-Q142 PolarHBondContact O-NE2 3.2Å
134S89.4Confident90Very high112 Ų11259.2 Ų59.278%0.78336%0.357SS*.PPolyproline II helixtrans-72.4124.3177.257.50000110.8
135V87.1Confident90.1Very high67 Ų6760.4 Ų60.441%0.40636%0.359SS..  trans-114.3123.7176.5-179.60000108.6P133 N137 S138 Q142P133-V135 PolarHBondContact O-N 3.15Å; V135-N137 PolarHBondContact O-N 2.96Å; V135-S138 WeakPolarHBondContact O-CB 3.46Å; V135-S138 PolarHBondContact O-N 2.92Å; V135-S138 PolarHBondContact O-OG 2.84Å; V135-Q142 PolarHBondContact O-OE1 3.21Å
136V82.2Confident90.3Very high123 Ų12357.9 Ų57.975%0.74535%0.345SS*.THydrogen-bonded Turntrans-59.4135.4-179.9-175.20000109.8S138V136-S138 PolarHBondContact O-N 3.35Å
137N79.8Confident90.4Very high113 Ų11363.5 Ų63.560%0.60437%0.367SS*.THydrogen-bonded Turntrans60.422-179.4-56.3-40.4000115.1V135 G139 R213V135-N137 PolarHBondContact O-N 2.96Å; N137-G139 VanDerWaalsContact C-N 3.3Å; N137-G139 PolarHBondContact O-N 2.68Å; N137-R213 PolarHBondContact O-NH1 3.47Å
138S80.4Confident90.5Very high37 Ų3768.6 Ų68.626%0.25939%0.386SS..  trans-66.2-31.7176.469.50000113.1V135 V136 L140 Q142V135-S138 WeakPolarHBondContact O-CB 3.46Å; V135-S138 PolarHBondContact O-N 2.92Å; V135-S138 PolarHBondContact O-OG 2.84Å; V136-S138 PolarHBondContact O-N 3.35Å; S138-L140 PolarHBondContact O-N 2.85Å; S138-L140 PolarHBondContact OG-N 3.14Å; S138-Q142 PolarHBondContact OG-NE2 2.81Å; S138-Q142 PolarHBondContact OG-OE1 3.34Å
139G82.9Confident90.4Very high80 Ų8072.2 Ų72.283%0.82540%0.403SS*.  trans69.24.1-175.900000114.4N137N137-G139 VanDerWaalsContact C-N 3.3Å; N137-G139 PolarHBondContact O-N 2.68Å
140L87.1Confident90.3Very high48 Ų4877.5 Ų77.525%0.25142%0.422SS..SBendtrans-104.4149.1-180-67.3173.5000110.8S138 Q142S138-L140 PolarHBondContact O-N 2.85Å; S138-L140 PolarHBondContact OG-N 3.14Å; L140-Q142 HydrophobicContact CB-CG 4.48Å; L140-Q142 PolarHBondContact O-N 2.89Å; L140-Q142 VanDerWaalsContact O-N 3.16Å
141P86.6Confident90.2Very high119 Ų11977.6 Ų77.677%0.77342%0.422SS*.  trans-66.9113.2167.628-31.9000109R115R115-P141 PolarHBondContact NH2-O 3.43Å
142Q90.3Very high89.9Confident58 Ų5877.7 Ų77.727%0.27143%0.426SS..  trans-113.6165.1-178.2-67.2177.8-46.500111.3E132 P133 V135 S138 L140E132-Q142 HydrophobicContact CG-CB 4.49Å; E132-Q142 HydrophobicContact CG-CG 4.27Å; P133-Q142 PolarHBondContact O-NE2 3.2Å; V135-Q142 PolarHBondContact O-OE1 3.21Å; S138-Q142 PolarHBondContact OG-NE2 2.81Å; S138-Q142 PolarHBondContact OG-OE1 3.34Å; L140-Q142 HydrophobicContact CB-CG 4.48Å; L140-Q142 PolarHBondContact O-N 2.89Å; L140-Q142 VanDerWaalsContact O-N 3.16Å
143G92.6Very high89.6Confident26 Ų2681.2 Ų81.227%0.26844%0.441SS..EExtended strand (participates in β ladder)trans121.5-142.5-179.300000113E132 R145E132-G143 PolarHBondContact N-O 2.86Å; E132-G143 WeakPolarHBondContact O-CA 3.44Å; E132-G143 PolarHBondContact O-N 3.06Å; G143-R145 PolarHBondContact O-N 2.81Å
144K92.9Very high89.3Confident167 Ų16782.5 Ų82.573%0.72645%0.445SS*.EExtended strand (participates in β ladder)trans-68.4105.5-176.2-68.3-179.3-179.3177.30110.7I131I131-K144 HydrophobicContact CD1-CG 4.17Å; I131-K144 HydrophobicContact CG1-CG 4.18Å
145R92.6Very high89Confident91 Ų9186.8 Ų86.834%0.34345%0.453SS..EExtended strand (participates in β ladder)trans-81.2-43.1177.6-168.5175.4174.586.21.6111.3F100 I130 G143 Y178F100-R145 VanDerWaalsContact CZ-NH1 3.31Å; I130-R145 PolarHBondContact O-N 2.84Å; G143-R145 PolarHBondContact O-N 2.81Å; R145-Y178 WeakPolarHBondContact CD-OH 3.31Å; R145-Y178 PolarHBondContact NE-OH 2.97Å
146I94.7Very high88.8Confident14 Ų1492.2 Ų92.27%0.07247%0.471CS..EExtended strand (participates in β ladder)trans-125.4126172.5-55.4-176.8000108.6C129 I130 L151 V173 Y174 Y178C129-I146 WeakPolarHBondContact CB-O 3.46Å; I130-I146 HydrophobicContact CB-CB 4.06Å; I130-I146 HydrophobicContact CB-CD1 4.36Å; I130-I146 HydrophobicContact CB-CG1 4.18Å; I130-I146 HydrophobicContact CD1-CD1 3.69Å; I130-I146 HydrophobicContact CD1-CG1 4.46Å; I130-I146 HydrophobicContact CG1-CB 4.25Å; I130-I146 HydrophobicContact CG1-CD1 4.06Å; I130-I146 HydrophobicContact CG1-CG1 4.38Å; I130-I146 PolarHBondContact N-O 2.99Å; I130-I146 VanDerWaalsContact N-O 3.14Å; I130-I146 PolarHBondContact O-N 3.48Å; I146-L151 HydrophobicContact CG2-CD2 3.79Å; I146-V173 HydrophobicContact CD1-CB 4.38Å; I146-V173 HydrophobicContact CD1-CG1 3.74Å; I146-Y174 HydrophobicContact CD1-CD2 3.97Å; I146-Y174 HydrophobicContact CD1-CE2 4.37Å; I146-Y174 HydrophobicContact CG2-CE2 4.24Å; I146-Y178 HydrophobicContact CD1-CE2 4.42Å
147K94.9Very high88.8Confident167 Ų16788.4 Ų88.473%0.72646%0.456SS*.EExtended strand (participates in β ladder)trans-71.7157176.3-66.8-178.2-179.2176.80110.4Q149K147-Q149 PolarHBondContact O-N 2.81Å; K147-Q149 VanDerWaalsContact O-N 3.1Å
148R95.3Very high89.2Confident108 Ų10887.4 Ų87.441%0.40845%0.451SS..EExtended strand (participates in β ladder)trans-56.7113.8179-176178.9176.3-1770.8110.1Y122 E124 D125 S127 M128 C129Y122-R148 HydrophobicContact CD2-CG 4Å; Y122-R148 HydrophobicContact CE2-CG 3.94Å; E124-R148 IonicContact OE2-CZ 3.85Å; E124-R148 IonicContact OE2-NH1 2.82Å; E124-R148 IonicContact OE2-NH2 3.9Å; E124-R148 PolarHBondContact OE2-NH2 2.75Å; D125-R148 IonicContact OD1-CZ 3.87Å; D125-R148 IonicContact OD1-NE 3.23Å; D125-R148 IonicContact OD1-NH2 3.68Å; D125-R148 PolarHBondContact OD1-NH2 3.42Å; D125-R148 IonicContact OD2-CZ 2.92Å; D125-R148 IonicContact OD2-NE 3.41Å; D125-R148 IonicContact OD2-NH2 3.7Å; D125-R148 PolarHBondContact OD2-NH2 2.71Å; S127-R148 VanDerWaalsContact OG-CG 3.22Å; S127-R148 WeakPolarHBondContact OG-CG 3.49Å; S127-R148 PolarHBondContact OG-NE 2.92Å; M128-R148 WeakPolarHBondContact O-CA 3.3Å; C129-R148 HydrophobicContact CB-CB 4.27Å
149Q94.6Very high89.8Confident77 Ų7790.8 Ų90.836%0.3646%0.459SS..EExtended strand (participates in β ladder)trans-162.6163.8176.268.1-168.6-13.700109.8M128 K147 L151 Y174M128-Q149 PolarHBondContact N-O 3.08Å; M128-Q149 PolarHBondContact O-N 3.2Å; M128-Q149 VanDerWaalsContact O-O 3.11Å; K147-Q149 PolarHBondContact O-N 2.81Å; K147-Q149 VanDerWaalsContact O-N 3.1Å; Q149-L151 HydrophobicContact CG-CD2 3.77Å; Q149-L151 PolarHBondContact O-N 2.82Å; Q149-Y174 VanDerWaalsContact NE2-CE2 3.28Å; Q149-Y174 PolarHBondContact NE2-OH 3.4Å
150R93.6Very high90.2Very high118 Ų11888.1 Ų88.145%0.44542%0.424SS..PPolyproline II helixtrans-74.4117173.2-60179.570.9-166.35.7109Y159R150-Y159 HydrophobicContact CB-CD1 3.58Å; R150-Y159 HydrophobicContact CB-CE1 3.89Å; R150-Y159 HydrophobicContact CB-CG 3.97Å; R150-Y159 WeakPolarHBondContact O-CD1 3.39Å
151L92.9Very high90.5Very high1 Ų188 Ų881%0.00542%0.424CS..PPolyproline II helixtrans-81.5126.6-174.3-59.4-178.5000110.4M128 I146 Q149 Y159 Y160 V173 Y174M128-L151 HydrophobicContact CB-CD1 3.57Å; M128-L151 HydrophobicContact CB-CG 3.84Å; M128-L151 HydrophobicContact CE-CD1 4.06Å; M128-L151 HydrophobicContact CG-CD1 4.2Å; M128-L151 HydrophobicContact CG-CG 4.39Å; M128-L151 HydrophobicContact SD-CB 4.29Å; M128-L151 HydrophobicContact SD-CD1 3.73Å; M128-L151 HydrophobicContact SD-CG 4.15Å; I146-L151 HydrophobicContact CG2-CD2 3.79Å; Q149-L151 HydrophobicContact CG-CD2 3.77Å; Q149-L151 PolarHBondContact O-N 2.82Å; L151-Y159 VanDerWaalsContact O-CA 3.3Å; L151-Y159 WeakPolarHBondContact O-CA 3.33Å; L151-Y160 HydrophobicContact CB-CD2 4.01Å; L151-Y160 PolarHBondContact O-N 2.85Å; L151-V173 HydrophobicContact CB-CG1 4.32Å; L151-V173 HydrophobicContact CB-CG2 4.43Å; L151-V173 HydrophobicContact CD1-CG1 4.04Å; L151-V173 HydrophobicContact CD1-CG2 3.97Å; L151-V173 HydrophobicContact CD2-CG1 4Å; L151-V173 HydrophobicContact CG-CG1 4.33Å; L151-Y174 HydrophobicContact CD2-CE2 4.14Å
152P91.4Very high90.7Very high45 Ų4583.7 Ų83.729%0.29239%0.392SS..BIsolated β-bridgetrans-70.9132.7178.429.4-33.2000110Y160 Y174P152-Y160 WeakPolarHBondContact O-CE2 3.33Å; P152-Y174 HydrophobicContact CG-CE1 4.04Å
153K88.4Confident90.8Very high82 Ų8287.5 Ų87.536%0.35741%0.408SS..SBendtrans-84.9-47.7175.1-173.4176.2-174.6178.80111.1N158 Y160 D164K153-N158 PolarHBondContact N-O 3.49Å; K153-Y160 HydrophobicContact CB-CD1 4.31Å; K153-Y160 HydrophobicContact CB-CD2 4.04Å; K153-Y160 HydrophobicContact CB-CE1 4.26Å; K153-Y160 HydrophobicContact CB-CE2 4.01Å; K153-Y160 HydrophobicContact CB-CG 4.21Å; K153-Y160 HydrophobicContact CD-CD1 4.23Å; K153-Y160 HydrophobicContact CD-CE1 4.22Å; K153-Y160 HydrophobicContact CG-CD1 4.1Å; K153-Y160 HydrophobicContact CG-CE1 3.77Å; K153-Y160 HydrophobicContact CG-CE2 4.3Å; K153-Y160 HydrophobicContact CG-CG 4.5Å; K153-D164 IonicContact NZ-OD1 3.49Å; K153-D164 PolarHBondContact NZ-OD1 3.43Å; K153-D164 IonicContact NZ-OD2 3.11Å; K153-D164 PolarHBondContact NZ-OD2 3.48Å
154N85.8Confident90.7Very high79 Ų7988.5 Ų88.542%0.42241%0.407SS..SBendtrans-132.5164-178.3-61.1-9.3000111.1F156 G157N154-F156 HydrophobicContact CB-CD2 4.07Å; N154-F156 PolarHBondContact O-N 2.93Å; N154-F156 VanDerWaalsContact O-N 3.1Å; N154-G157 PolarHBondContact O-N 3.4Å
155E82.4Confident90.6Very high202 Ų20280.7 Ų80.794%0.94437%0.373SS*.THydrogen-bonded Turntrans-60.6-19174.5-60.5-176.3166.900113.6G157E155-G157 PolarHBondContact O-N 2.78Å
156F82.9Confident90.6Very high182 Ų18277.6 Ų77.680%0.79836%0.363SS*.THydrogen-bonded Turntrans-76.54.8178.9-56.5-73.1000114.6N154N154-F156 HydrophobicContact CB-CD2 4.07Å; N154-F156 PolarHBondContact O-N 2.93Å; N154-F156 VanDerWaalsContact O-N 3.1Å
157G81.9Confident90.6Very high42 Ų4277.2 Ų77.243%0.43336%0.361SS..SBendtrans83.511.5177.600000115.2N154 E155N154-G157 PolarHBondContact O-N 3.4Å; E155-G157 PolarHBondContact O-N 2.78Å
158N89.3Confident90.3Very high93 Ų9370.8 Ų70.850%0.49734%0.34SS..  trans-74.7140.3171.2-66.9-24.2000110K153K153-N158 PolarHBondContact N-O 3.49Å
159Y92.6Very high90.2Very high107 Ų10769.2 Ų69.242%0.4234%0.338SS..BIsolated β-bridgetrans-105.3155.3177.3-60.7-75.3000111.2R150 L151 N161R150-Y159 HydrophobicContact CB-CD1 3.58Å; R150-Y159 HydrophobicContact CB-CE1 3.89Å; R150-Y159 HydrophobicContact CB-CG 3.97Å; R150-Y159 WeakPolarHBondContact O-CD1 3.39Å; L151-Y159 VanDerWaalsContact O-CA 3.3Å; L151-Y159 WeakPolarHBondContact O-CA 3.33Å; Y159-N161 PolarHBondContact O-N 2.85Å
160Y92.4Very high90.2Very high24 Ų2469.7 Ų69.79%0.09434%0.343CS..  trans-65.1131.4171.4-76.7-79.1000110.9L151 P152 K153 D164 L171 E172 V173L151-Y160 HydrophobicContact CB-CD2 4.01Å; L151-Y160 PolarHBondContact O-N 2.85Å; P152-Y160 WeakPolarHBondContact O-CE2 3.33Å; K153-Y160 HydrophobicContact CB-CD1 4.31Å; K153-Y160 HydrophobicContact CB-CD2 4.04Å; K153-Y160 HydrophobicContact CB-CE1 4.26Å; K153-Y160 HydrophobicContact CB-CE2 4.01Å; K153-Y160 HydrophobicContact CB-CG 4.21Å; K153-Y160 HydrophobicContact CD-CD1 4.23Å; K153-Y160 HydrophobicContact CD-CE1 4.22Å; K153-Y160 HydrophobicContact CG-CD1 4.1Å; K153-Y160 HydrophobicContact CG-CE1 3.77Å; K153-Y160 HydrophobicContact CG-CE2 4.3Å; K153-Y160 HydrophobicContact CG-CG 4.5Å; Y160-D164 HydrophobicContact CD1-CB 4.14Å; Y160-L171 HydrophobicContact CD1-CD1 3.84Å; Y160-L171 HydrophobicContact CD2-CD1 4.04Å; Y160-L171 HydrophobicContact CE1-CD1 3.53Å; Y160-L171 HydrophobicContact CE2-CD1 3.73Å; Y160-L171 HydrophobicContact CG-CD1 4.09Å; Y160-L171 VanDerWaalsContact CZ-CD1 3.46Å; Y160-E172 PolarHBondContact OH-O 2.78Å; Y160-V173 HydrophobicContact CD2-CG2 4.49Å; Y160-V173 HydrophobicContact CE2-CG2 3.94Å
161N92.2Very high90.2Very high46 Ų4664.1 Ų64.125%0.24632%0.322CS..  trans-101.7159.7168.1-163.7-82.4000110.3Y121 Y159 K163 D164Y121-N161 WeakPolarHBondContact OH-CA 3.41Å; Y159-N161 PolarHBondContact O-N 2.85Å; N161-K163 PolarHBondContact O-N 2.94Å; N161-K163 WeakPolarHBondContact OD1-CG 3.22Å; N161-K163 PolarHBondContact OD1-N 3.14Å; N161-K163 VanDerWaalsContact OD1-N 3.15Å; N161-D164 PolarHBondContact N-OD2 3.16Å; N161-D164 WeakPolarHBondContact O-CB 3.45Å; N161-D164 PolarHBondContact O-N 3.1Å
162W91.1Very high90.2Very high28 Ų2869.9 Ų69.911%0.10635%0.349CS..G310 helixtrans-57.5-30.2172.859.2-94.1000112L94 Y121 L123 D164 L165 F190 M191 E194 I196L94-W162 HydrophobicContact CD1-CB 3.66Å; L94-W162 HydrophobicContact CD1-CG 4.46Å; Y121-W162 HydrophobicContact CD1-CB 4.04Å; Y121-W162 HydrophobicContact CE1-CB 3.74Å; Y121-W162 AromaticContact CE1-CD1 3.99Å; Y121-W162 HydrophobicContact CE1-CG 4.29Å; Y121-W162 HydrophobicContact CE2-CB 4.38Å; Y121-W162 VanDerWaalsContact CZ-N 3.26Å; Y121-W162 PolarHBondContact OH-N 2.83Å; L123-W162 HydrophobicContact CD2-CB 4.42Å; L123-W162 HydrophobicContact CD2-CG 4.13Å; W162-D164 PolarHBondContact O-N 3.14Å; W162-L165 PolarHBondContact O-N 2.81Å; W162-L165 VanDerWaalsContact O-N 3.14Å; W162-F190 HydrophobicContact CD2-CE1 4.23Å; W162-F190 HydrophobicContact CE3-CE1 4.14Å; W162-F190 HydrophobicContact CZ3-CE1 4.4Å; W162-M191 HydrophobicContact CB-CE 4.3Å; W162-M191 HydrophobicContact CE3-CE 4.23Å; W162-M191 HydrophobicContact CE3-SD 3.79Å; W162-M191 HydrophobicContact CZ3-SD 4.21Å; W162-M191 WeakPolarHBondContact O-CE 3.17Å; W162-E194 HydrophobicContact CH2-CB 3.58Å; W162-E194 HydrophobicContact CH2-CG 3.79Å; W162-E194 HydrophobicContact CZ2-CG 4.47Å; W162-E194 HydrophobicContact CZ3-CB 3.7Å; W162-E194 HydrophobicContact CZ3-CG 4.13Å; W162-I196 HydrophobicContact CE3-CD1 3.79Å; W162-I196 HydrophobicContact CH2-CD1 4.46Å; W162-I196 HydrophobicContact CZ3-CD1 3.41Å; W162-I196 VanDerWaalsContact CZ3-CD1 3.41Å; W162-I196 HydrophobicContact CZ3-CG1 4.18Å
163K91.7Very high90.1Very high139 Ų13967.9 Ų67.960%0.60434%0.336SS*.G310 helixtrans-63.4-21.4173.8-62.5-177.1-179.5-1730114.1N161 L165 I196N161-K163 PolarHBondContact O-N 2.94Å; N161-K163 WeakPolarHBondContact OD1-CG 3.22Å; N161-K163 PolarHBondContact OD1-N 3.14Å; N161-K163 VanDerWaalsContact OD1-N 3.15Å; K163-L165 VanDerWaalsContact C-N 3.33Å; K163-I196 HydrophobicContact CB-CD1 4.31Å; K163-I196 HydrophobicContact CG-CD1 4.24Å
164D90.7Very high90.2Very high47 Ų4770.3 Ų70.325%0.25134%0.344SS..G310 helixtrans-86.5-3.6178.7-63.7-53.5000112.6K153 Y160 N161 W162K153-D164 IonicContact NZ-OD1 3.49Å; K153-D164 PolarHBondContact NZ-OD1 3.43Å; K153-D164 IonicContact NZ-OD2 3.11Å; K153-D164 PolarHBondContact NZ-OD2 3.48Å; Y160-D164 HydrophobicContact CD1-CB 4.14Å; N161-D164 PolarHBondContact N-OD2 3.16Å; N161-D164 WeakPolarHBondContact O-CB 3.45Å; N161-D164 PolarHBondContact O-N 3.1Å; W162-D164 PolarHBondContact O-N 3.14Å
165L92.1Very high90.3Very high2 Ų270.8 Ų70.81%0.0137%0.367CS..  trans-107.2129.5-174.9-58176000110.7F96 Y121 M128 W162 K163 L171 I180F96-L165 HydrophobicContact CD2-CD1 4.3Å; F96-L165 HydrophobicContact CE2-CB 4.29Å; F96-L165 HydrophobicContact CE2-CD1 3.81Å; F96-L165 HydrophobicContact CZ-CB 4.11Å; F96-L165 HydrophobicContact CZ-CD1 4.44Å; Y121-L165 HydrophobicContact CD2-CD1 3.84Å; Y121-L165 HydrophobicContact CG-CD1 4.44Å; M128-L165 HydrophobicContact CE-CD1 3.81Å; M128-L165 HydrophobicContact CE-CD2 4.26Å; W162-L165 PolarHBondContact O-N 2.81Å; W162-L165 VanDerWaalsContact O-N 3.14Å; K163-L165 VanDerWaalsContact C-N 3.33Å; L165-L171 HydrophobicContact CD2-CD1 4.05Å; L165-L171 HydrophobicContact CD2-CD2 4.47Å; L165-I180 HydrophobicContact CD2-CD1 4.07Å
166N92.8Very high90.8Very high26 Ų2662.7 Ų62.714%0.13933%0.331CS..  trans-143.4165.9172.7-155.8-24.7000110M169 V197 L198 N199N166-M169 HydrophobicContact CB-CE 4.25Å; N166-M169 WeakPolarHBondContact O-CB 3.41Å; N166-V197 PolarHBondContact ND2-O 2.7Å; N166-L198 WeakPolarHBondContact OD1-CA 2.87Å; N166-L198 WeakPolarHBondContact OD1-CD2 3.5Å; N166-N199 PolarHBondContact OD1-N 2.61Å
167L92.8Very high91.4Very high6 Ų657.5 Ų57.53%0.03132%0.315CS..THydrogen-bonded Turntrans-67.4152.1172.1-60.4-175.9000110.7F96 M169 I180 D182 C183 L198 N199 P201F96-L167 HydrophobicContact CD1-CD2 4.45Å; L167-M169 PolarHBondContact O-N 2.77Å; L167-I180 HydrophobicContact CD2-CG2 3.86Å; L167-D182 VanDerWaalsContact CD2-C 3.4Å; L167-C183 HydrophobicContact CD2-CB 3.96Å; L167-L198 HydrophobicContact CD1-CB 4.36Å; L167-L198 HydrophobicContact CG-CD2 4.38Å; L167-N199 HydrophobicContact CB-CB 4.09Å; L167-N199 VanDerWaalsContact CD1-O 3.3Å; L167-N199 WeakPolarHBondContact CD1-O 3.43Å; L167-N199 WeakPolarHBondContact O-CB 3.33Å; L167-N199 PolarHBondContact O-ND2 2.76Å; L167-P201 HydrophobicContact CD1-CB 4.47Å
168A90.6Very high92Very high33 Ų3355.7 Ų55.727%0.27330%0.295SS..THydrogen-bonded Turntrans57.625.8-176.100000114.7R179 I180A168-R179 PolarHBondContact O-NH1 2.75Å; A168-R179 VanDerWaalsContact O-NH1 3.16Å; A168-R179 PolarHBondContact O-NH2 3.23Å; A168-R179 VanDerWaalsContact O-NH2 3.14Å; A168-I180 WeakPolarHBondContact CA-O 3.38Å; A168-I180 PolarHBondContact N-O 3.17Å
169M92Very high92.3Very high75 Ų7554.5 Ų54.537%0.36928%0.283SS..  trans-104.7148.4175.9179.9-178.6-79.400111.4N166 L167 I180N166-M169 HydrophobicContact CB-CE 4.25Å; N166-M169 WeakPolarHBondContact O-CB 3.41Å; L167-M169 PolarHBondContact O-N 2.77Å; M169-I180 PolarHBondContact O-N 2.83Å
170D93.9Very high92.5Very high86 Ų8649.4 Ų49.446%0.4626%0.263SS..EExtended strand (participates in β ladder)trans-92.5115.7172.1-61.5-20.8000110.3R179D170-R179 WeakPolarHBondContact OD1-CD 3.48Å; D170-R179 IonicContact OD1-CZ 2.95Å; D170-R179 IonicContact OD1-NE 3.42Å; D170-R179 IonicContact OD1-NH1 3.6Å; D170-R179 PolarHBondContact OD1-NH1 3.46Å; D170-R179 IonicContact OD2-NH1 2.83Å
171L93.8Very high92.5Very high2 Ų248.5 Ų48.51%0.0126%0.26CS..EExtended strand (participates in β ladder)trans-94.5108.3174.7173.665000109.3I119 M128 Y160 L165 V173 Y178 I180I119-L171 HydrophobicContact CD1-CD2 3.92Å; I119-L171 HydrophobicContact CG2-CD2 4.37Å; M128-L171 HydrophobicContact CE-CD2 3.94Å; Y160-L171 HydrophobicContact CD1-CD1 3.84Å; Y160-L171 HydrophobicContact CD2-CD1 4.04Å; Y160-L171 HydrophobicContact CE1-CD1 3.53Å; Y160-L171 HydrophobicContact CE2-CD1 3.73Å; Y160-L171 HydrophobicContact CG-CD1 4.09Å; Y160-L171 VanDerWaalsContact CZ-CD1 3.46Å; L165-L171 HydrophobicContact CD2-CD1 4.05Å; L165-L171 HydrophobicContact CD2-CD2 4.47Å; L171-V173 HydrophobicContact CD1-CG2 3.85Å; L171-V173 HydrophobicContact CD2-CG2 4.31Å; L171-V173 HydrophobicContact CG-CG2 3.8Å; L171-Y178 PolarHBondContact N-O 2.78Å; L171-Y178 WeakPolarHBondContact O-CD2 3.08Å; L171-Y178 PolarHBondContact O-N 3.26Å; L171-I180 HydrophobicContact CB-CD1 4.31Å; L171-I180 HydrophobicContact CB-CG1 4.47Å
172E92.6Very high92.7Very high122 Ų12249.6 Ų49.657%0.5727%0.266SS*.EExtended strand (participates in β ladder)trans-93.4115.7179.1-57.7-165.5162.500111.1Y160 T177Y160-E172 PolarHBondContact OH-O 2.78Å; E172-T177 HydrophobicContact CG-CG2 3.74Å
173V91.1Very high92.8Very high2 Ų248.9 Ų48.91%0.01227%0.265CS..EExtended strand (participates in β ladder)trans-141.9125.2-179-177.20000109.8I146 L151 Y160 L171 G175 T176 Y178I146-V173 HydrophobicContact CD1-CB 4.38Å; I146-V173 HydrophobicContact CD1-CG1 3.74Å; L151-V173 HydrophobicContact CB-CG1 4.32Å; L151-V173 HydrophobicContact CB-CG2 4.43Å; L151-V173 HydrophobicContact CD1-CG1 4.04Å; L151-V173 HydrophobicContact CD1-CG2 3.97Å; L151-V173 HydrophobicContact CD2-CG1 4Å; L151-V173 HydrophobicContact CG-CG1 4.33Å; Y160-V173 HydrophobicContact CD2-CG2 4.49Å; Y160-V173 HydrophobicContact CE2-CG2 3.94Å; L171-V173 HydrophobicContact CD1-CG2 3.85Å; L171-V173 HydrophobicContact CD2-CG2 4.31Å; L171-V173 HydrophobicContact CG-CG2 3.8Å; V173-G175 PolarHBondContact O-N 2.84Å; V173-T176 PolarHBondContact N-O 2.96Å; V173-T176 PolarHBondContact O-N 2.88Å; V173-Y178 HydrophobicContact CB-CE2 4.32Å
174Y90.3Very high93Very high134 Ų13445 Ų4553%0.52525%0.251SS..THydrogen-bonded Turntrans48.742.7180-55.5-54.5000113.8I146 Q149 L151 P152 T176I146-Y174 HydrophobicContact CD1-CD2 3.97Å; I146-Y174 HydrophobicContact CD1-CE2 4.37Å; I146-Y174 HydrophobicContact CG2-CE2 4.24Å; Q149-Y174 VanDerWaalsContact NE2-CE2 3.28Å; Q149-Y174 PolarHBondContact NE2-OH 3.4Å; L151-Y174 HydrophobicContact CD2-CE2 4.14Å; P152-Y174 HydrophobicContact CG-CE1 4.04Å; Y174-T176 PolarHBondContact O-N 2.83Å
175G87.9Confident93.2Very high88 Ų8848 Ų4891%0.90727%0.267SS*.THydrogen-bonded Turntrans74.17.1177.800000115.1V173V173-G175 PolarHBondContact O-N 2.84Å
176T91.8Very high93.3Very high32 Ų3251.8 Ų51.820%0.19628%0.283CS..EExtended strand (participates in β ladder)trans-108.7130.6168.8-520000109.6F100 V173 Y174 Y178F100-T176 HydrophobicContact CB-CG2 3.97Å; F100-T176 HydrophobicContact CD2-CG2 3.79Å; F100-T176 HydrophobicContact CE2-CG2 4.49Å; F100-T176 HydrophobicContact CG-CG2 3.89Å; V173-T176 PolarHBondContact N-O 2.96Å; V173-T176 PolarHBondContact O-N 2.88Å; Y174-T176 PolarHBondContact O-N 2.83Å; T176-Y178 HydrophobicContact CG2-CD1 4.39Å; T176-Y178 HydrophobicContact CG2-CD2 4.4Å; T176-Y178 HydrophobicContact CG2-CE1 3.87Å; T176-Y178 HydrophobicContact CG2-CE2 3.86Å
177T94.9Very high93.3Very high74 Ų7450.5 Ų50.545%0.45428%0.277SS..EExtended strand (participates in β ladder)trans-91.4117.8173.548.10000109.5F100 E172F100-T177 VanDerWaalsContact CB-O 3.25Å; F100-T177 WeakPolarHBondContact CB-O 3.34Å; E172-T177 HydrophobicContact CG-CG2 3.74Å
178Y95.2Very high93.3Very high3 Ų355 Ų551%0.01230%0.296CS..EExtended strand (participates in β ladder)trans-105119.7176.9-59.8-83.8000109.7F100 V117 I130 R145 I146 L171 V173 T176 I180F100-Y178 HydrophobicContact CB-CD1 3.91Å; F100-Y178 HydrophobicContact CB-CE1 4.25Å; F100-Y178 AromaticContact CD1-CD1 3.89Å; F100-Y178 HydrophobicContact CD1-CD1 3.89Å; F100-Y178 AromaticContact CD1-CE1 3.63Å; F100-Y178 HydrophobicContact CD1-CE1 3.63Å; F100-Y178 HydrophobicContact CE1-CE1 4.25Å; F100-Y178 HydrophobicContact CG-CD1 4.2Å; F100-Y178 HydrophobicContact CG-CE1 4.06Å; V117-Y178 HydrophobicContact CG1-CD1 4.42Å; V117-Y178 HydrophobicContact CG1-CE1 4.21Å; V117-Y178 HydrophobicContact CG2-CD1 3.74Å; V117-Y178 HydrophobicContact CG2-CE1 4.3Å; I130-Y178 HydrophobicContact CD1-CD2 3.86Å; I130-Y178 HydrophobicContact CD1-CE1 4.35Å; I130-Y178 HydrophobicContact CD1-CE2 3.67Å; I130-Y178 HydrophobicContact CD1-CG 4.3Å; I130-Y178 HydrophobicContact CG2-CE1 4.14Å; R145-Y178 WeakPolarHBondContact CD-OH 3.31Å; R145-Y178 PolarHBondContact NE-OH 2.97Å; I146-Y178 HydrophobicContact CD1-CE2 4.42Å; L171-Y178 PolarHBondContact N-O 2.78Å; L171-Y178 WeakPolarHBondContact O-CD2 3.08Å; L171-Y178 PolarHBondContact O-N 3.26Å; V173-Y178 HydrophobicContact CB-CE2 4.32Å; T176-Y178 HydrophobicContact CG2-CD1 4.39Å; T176-Y178 HydrophobicContact CG2-CD2 4.4Å; T176-Y178 HydrophobicContact CG2-CE1 3.87Å; T176-Y178 HydrophobicContact CG2-CE2 3.86Å; Y178-I180 PolarHBondContact O-N 2.76Å
179R95.8Very high93.5Very high68 Ų6858.9 Ų58.926%0.25731%0.308SS..EExtended strand (participates in β ladder)trans-82.2115.2173.6-17470.5171.8178.35.1109.2G98 H99 A168 D170 S181 E202G98-R179 CarbonylContact C-O 3.17Å; G98-R179 WeakPolarHBondContact CA-O 3.35Å; H99-R179 PolarHBondContact N-O 3.44Å; H99-R179 PolarHBondContact O-N 3.45Å; A168-R179 PolarHBondContact O-NH1 2.75Å; A168-R179 VanDerWaalsContact O-NH1 3.16Å; A168-R179 PolarHBondContact O-NH2 3.23Å; A168-R179 VanDerWaalsContact O-NH2 3.14Å; D170-R179 WeakPolarHBondContact OD1-CD 3.48Å; D170-R179 IonicContact OD1-CZ 2.95Å; D170-R179 IonicContact OD1-NE 3.42Å; D170-R179 IonicContact OD1-NH1 3.6Å; D170-R179 PolarHBondContact OD1-NH1 3.46Å; D170-R179 IonicContact OD2-NH1 2.83Å; R179-S181 PolarHBondContact O-N 3.18Å; R179-E202 IonicContact CZ-OE2 3.74Å; R179-E202 VanDerWaalsContact CZ-OE2 3.27Å; R179-E202 IonicContact NE-OE1 3.7Å; R179-E202 IonicContact NE-OE2 2.8Å; R179-E202 PolarHBondContact NE-OE2 2.72Å; R179-E202 IonicContact NH2-OE2 3.8Å; R179-E202 PolarHBondContact NH2-OE2 3.13Å
180I95.9Very high93.5Very high0 Ų056.5 Ų56.50%030%0.296CS..EExtended strand (participates in β ladder)trans-77.7115.2174.2-59.1176.1000108.1F96 I119 L165 L167 A168 M169 L171 Y178F96-I180 HydrophobicContact CB-CG2 4.06Å; F96-I180 HydrophobicContact CD1-CG2 3.91Å; F96-I180 HydrophobicContact CG-CG2 4.32Å; I119-I180 HydrophobicContact CD1-CG1 4.1Å; L165-I180 HydrophobicContact CD2-CD1 4.07Å; L167-I180 HydrophobicContact CD2-CG2 3.86Å; A168-I180 WeakPolarHBondContact CA-O 3.38Å; A168-I180 PolarHBondContact N-O 3.17Å; M169-I180 PolarHBondContact O-N 2.83Å; L171-I180 HydrophobicContact CB-CD1 4.31Å; L171-I180 HydrophobicContact CB-CG1 4.47Å; Y178-I180 PolarHBondContact O-N 2.76Å
181S93.9Very high93.4Very high5 Ų552.4 Ų52.44%0.03527%0.274CS..EExtended strand (participates in β ladder)trans-97.8-45.1-175.153.70000112.6Y97 R179 P201 E202Y97-S181 PolarHBondContact O-N 3.12Å; Y97-S181 PolarHBondContact O-OG 3.05Å; Y97-S181 VanDerWaalsContact O-OG 3.08Å; R179-S181 PolarHBondContact O-N 3.18Å; S181-P201 WeakPolarHBondContact O-CA 3.26Å; S181-E202 WeakPolarHBondContact CB-O 3.3Å; S181-E202 PolarHBondContact O-N 2.67Å
182D95.7Very high93.4Very high69 Ų6957.6 Ų57.637%0.36930%0.298SS..EExtended strand (participates in β ladder)trans-148.9172.5-173.8-166.616.6000111.1Y97 L167Y97-D182 HydrophobicContact CD2-CB 4.18Å; Y97-D182 PolarHBondContact N-O 2.92Å; Y97-D182 PolarHBondContact O-N 2.89Å; Y97-D182 VanDerWaalsContact O-N 3.15Å; L167-D182 VanDerWaalsContact CD2-C 3.4Å
183C94.3Very high93.3Very high13 Ų1356 Ų569%0.08830%0.301CS..EExtended strand (participates in β ladder)trans-139.8164177.871.20000112.2F96 L167 T187F96-C183 HydrophobicContact CD1-CB 3.65Å; F96-C183 HydrophobicContact CE1-CB 3.97Å; L167-C183 HydrophobicContact CD2-CB 3.96Å; C183-T187 VanDerWaalsContact CB-OG1 3.29Å; C183-T187 WeakPolarHBondContact CB-OG1 3.23Å
184D94.7Very high93.2Very high57 Ų5760.9 Ų60.931%0.30532%0.324SS..  trans-72.1163.2176-155.5-8.4000112R95 F186 T187 K188R95-D184 HydrophobicContact CB-CB 3.97Å; R95-D184 HydrophobicContact CG-CB 4.41Å; R95-D184 IonicContact NH1-OD2 2.81Å; R95-D184 PolarHBondContact O-N 2.98Å; D184-F186 VanDerWaalsContact C-N 3.34Å; D184-F186 PolarHBondContact O-N 3.36Å; D184-T187 VanDerWaalsContact C-OG1 3.25Å; D184-T187 WeakPolarHBondContact CA-OG1 3.42Å; D184-T187 PolarHBondContact N-OG1 2.92Å; D184-T187 PolarHBondContact O-N 3.43Å; D184-T187 PolarHBondContact O-OG1 3.22Å; D184-K188 PolarHBondContact O-N 3.29Å; D184-K188 VanDerWaalsContact O-N 3.08Å
185L94.7Very high93.1Very high111 Ų11157.5 Ų57.558%0.58133%0.329SS*.Hα-helixtrans-61.8-44-179.7-178.462.7000111.4T187 K188 E189L185-T187 VanDerWaalsContact C-N 3.29Å; L185-T187 PolarHBondContact O-N 3.29Å; L185-K188 WeakPolarHBondContact O-CB 3.37Å; L185-K188 PolarHBondContact O-N 2.97Å; L185-K188 VanDerWaalsContact O-N 3.13Å; L185-E189 PolarHBondContact O-N 3.4Å
186F94.1Very high93.1Very high81 Ų8155 Ų5536%0.35530%0.295SS..Hα-helixtrans-58.9-40.8177.1171.4-108.5000112.3K92 V93 L94 D184 K188 F190K92-F186 HydrophobicContact CB-CE1 4.48Å; K92-F186 HydrophobicContact CB-CZ 4.09Å; K92-F186 HydrophobicContact CG-CZ 4.36Å; V93-F186 WeakPolarHBondContact O-CD1 3.37Å; V93-F186 WeakPolarHBondContact O-CE1 3.42Å; L94-F186 HydrophobicContact CD2-CD1 4.41Å; L94-F186 HydrophobicContact CD2-CE1 3.98Å; D184-F186 VanDerWaalsContact C-N 3.34Å; D184-F186 PolarHBondContact O-N 3.36Å; F186-K188 VanDerWaalsContact C-N 3.32Å; F186-K188 PolarHBondContact O-N 3.16Å; F186-F190 VanDerWaalsContact O-CB 3.24Å; F186-F190 WeakPolarHBondContact O-CB 2.96Å; F186-F190 PolarHBondContact O-N 3.4Å
187T93.8Very high93Very high0 Ų059.4 Ų59.40%032%0.322CS..Hα-helixtrans-66.1-37.6177.333.90000112.9L94 R95 C183 D184 L185 M191L94-T187 HydrophobicContact CB-CG2 3.38Å; L94-T187 HydrophobicContact CD2-CG2 3.7Å; L94-T187 HydrophobicContact CG-CG2 4.12Å; R95-T187 PolarHBondContact O-OG1 2.66Å; C183-T187 VanDerWaalsContact CB-OG1 3.29Å; C183-T187 WeakPolarHBondContact CB-OG1 3.23Å; D184-T187 VanDerWaalsContact C-OG1 3.25Å; D184-T187 WeakPolarHBondContact CA-OG1 3.42Å; D184-T187 PolarHBondContact N-OG1 2.92Å; D184-T187 PolarHBondContact O-N 3.43Å; D184-T187 PolarHBondContact O-OG1 3.22Å; L185-T187 VanDerWaalsContact C-N 3.29Å; L185-T187 PolarHBondContact O-N 3.29Å; T187-M191 WeakPolarHBondContact O-CB 3.45Å; T187-M191 WeakPolarHBondContact O-CG 3.4Å; T187-M191 PolarHBondContact O-N 2.84Å
188K93.3Very high92.7Very high101 Ų10157.1 Ų57.144%0.43931%0.306SS..Hα-helixtrans-62.7-51.6178.1-172.6178.8-179.71800110.6D184 L185 F186 F190 M191 E192 L198D184-K188 PolarHBondContact O-N 3.29Å; D184-K188 VanDerWaalsContact O-N 3.08Å; L185-K188 WeakPolarHBondContact O-CB 3.37Å; L185-K188 PolarHBondContact O-N 2.97Å; L185-K188 VanDerWaalsContact O-N 3.13Å; F186-K188 VanDerWaalsContact C-N 3.32Å; F186-K188 PolarHBondContact O-N 3.16Å; K188-F190 PolarHBondContact O-N 2.86Å; K188-M191 PolarHBondContact O-N 3.43Å; K188-E192 WeakPolarHBondContact CE-OE1 3.34Å; K188-E192 WeakPolarHBondContact O-CB 3.5Å; K188-E192 VanDerWaalsContact O-CG 3.32Å; K188-E192 WeakPolarHBondContact O-CG 3.35Å; K188-E192 PolarHBondContact O-N 3.32Å; K188-L198 HydrophobicContact CB-CD1 4.17Å; K188-L198 HydrophobicContact CG-CD1 3.99Å
189E93.9Very high92.6Very high113 Ų11361 Ų6153%0.52833%0.328SS..Hα-helixtrans-61.9-41.9178.1-67.5174.4175.600112.1L185 S193L185-E189 PolarHBondContact O-N 3.4Å; E189-S193 WeakPolarHBondContact O-CB 3.43Å; E189-S193 PolarHBondContact O-N 3.01Å; E189-S193 PolarHBondContact O-OG 3.1Å
190F92.9Very high92.4Very high25 Ų2566 Ų6611%0.1135%0.354CS..Hα-helixtrans-63.2-49177.7178.9-94.1000111.9L94 L123 W162 F186 K188 E192 S193 E194L94-F190 HydrophobicContact CD1-CD1 4.04Å; L94-F190 HydrophobicContact CD1-CE1 4.05Å; L94-F190 HydrophobicContact CD2-CB 3.97Å; L94-F190 HydrophobicContact CD2-CD1 3.4Å; L94-F190 HydrophobicContact CD2-CE1 4.03Å; L94-F190 HydrophobicContact CD2-CG 3.73Å; L94-F190 HydrophobicContact CG-CD1 4.32Å; L123-F190 HydrophobicContact CD1-CD1 4.49Å; L123-F190 HydrophobicContact CD1-CD2 4.18Å; L123-F190 HydrophobicContact CD1-CE1 4.01Å; L123-F190 HydrophobicContact CD1-CE2 3.67Å; L123-F190 HydrophobicContact CD1-CZ 3.57Å; L123-F190 HydrophobicContact CD2-CE1 3.93Å; L123-F190 HydrophobicContact CD2-CZ 3.8Å; L123-F190 HydrophobicContact CG-CZ 4.36Å; W162-F190 HydrophobicContact CD2-CE1 4.23Å; W162-F190 HydrophobicContact CE3-CE1 4.14Å; W162-F190 HydrophobicContact CZ3-CE1 4.4Å; F186-F190 VanDerWaalsContact O-CB 3.24Å; F186-F190 WeakPolarHBondContact O-CB 2.96Å; F186-F190 PolarHBondContact O-N 3.4Å; K188-F190 PolarHBondContact O-N 2.86Å; F190-E192 VanDerWaalsContact C-N 3.33Å; F190-E192 PolarHBondContact O-N 3.38Å; F190-S193 PolarHBondContact O-N 3.01Å; F190-S193 PolarHBondContact O-OG 3.29Å; F190-E194 HydrophobicContact CD1-CG 4.4Å; F190-E194 HydrophobicContact CE1-CG 3.95Å; F190-E194 HydrophobicContact CE2-CG 4.09Å; F190-E194 HydrophobicContact CZ-CG 3.78Å; F190-E194 WeakPolarHBondContact O-CG 3.29Å; F190-E194 PolarHBondContact O-N 3.22Å
191M91.9Very high92.2Very high0 Ų070.1 Ų70.10%038%0.38CS..Hα-helixtrans-62.3-41.6179.4-71.9-65.3-167.600111.7L94 F96 W162 T187 K188 E194 G195 I196 L198L94-M191 HydrophobicContact CD1-CE 3.86Å; F96-M191 HydrophobicContact CE2-CE 4.5Å; F96-M191 HydrophobicContact CZ-CE 3.65Å; W162-M191 HydrophobicContact CB-CE 4.3Å; W162-M191 HydrophobicContact CE3-CE 4.23Å; W162-M191 HydrophobicContact CE3-SD 3.79Å; W162-M191 HydrophobicContact CZ3-SD 4.21Å; W162-M191 WeakPolarHBondContact O-CE 3.17Å; T187-M191 WeakPolarHBondContact O-CB 3.45Å; T187-M191 WeakPolarHBondContact O-CG 3.4Å; T187-M191 PolarHBondContact O-N 2.84Å; K188-M191 PolarHBondContact O-N 3.43Å; M191-E194 PolarHBondContact O-N 3.36Å; M191-G195 PolarHBondContact O-N 2.74Å; M191-I196 CarbonylContact C-O 3.4Å; M191-I196 HydrophobicContact CB-CB 4.34Å; M191-I196 PolarHBondContact O-N 3.24Å; M191-I196 HydrophobicContact SD-CB 4.31Å; M191-I196 HydrophobicContact SD-CD1 3.97Å; M191-I196 HydrophobicContact SD-CG2 4.49Å; M191-L198 HydrophobicContact CB-CD1 3.99Å; M191-L198 HydrophobicContact CB-CD2 4.19Å; M191-L198 HydrophobicContact CB-CG 3.99Å; M191-L198 HydrophobicContact CG-CD1 4.34Å; M191-L198 HydrophobicContact CG-CD2 4.12Å; M191-L198 HydrophobicContact CG-CG 4.41Å
192E92Very high92.1Very high111 Ų11173.4 Ų73.452%0.51940%0.395SS..Hα-helixtrans-62.9-41.5174.6-73.6175.2-171.300111.7K188 F190 E194 G195K188-E192 WeakPolarHBondContact CE-OE1 3.34Å; K188-E192 WeakPolarHBondContact O-CB 3.5Å; K188-E192 VanDerWaalsContact O-CG 3.32Å; K188-E192 WeakPolarHBondContact O-CG 3.35Å; K188-E192 PolarHBondContact O-N 3.32Å; F190-E192 VanDerWaalsContact C-N 3.33Å; F190-E192 PolarHBondContact O-N 3.38Å; E192-E194 VanDerWaalsContact C-N 3.32Å; E192-E194 PolarHBondContact O-N 3.14Å; E192-G195 PolarHBondContact O-N 2.82Å; E192-G195 VanDerWaalsContact O-N 3.16Å
193S91.2Very high91.7Very high90 Ų9077.3 Ų77.363%0.62942%0.416SS*.Hα-helixtrans-65.9-32.8178.474.20000113.6E189 F190 G195E189-S193 WeakPolarHBondContact O-CB 3.43Å; E189-S193 PolarHBondContact O-N 3.01Å; E189-S193 PolarHBondContact O-OG 3.1Å; F190-S193 PolarHBondContact O-N 3.01Å; F190-S193 PolarHBondContact O-OG 3.29Å; S193-G195 VanDerWaalsContact C-N 3.27Å; S193-G195 PolarHBondContact O-N 3.05Å
194E88.9Confident91.3Very high104 Ų10480.2 Ų80.249%0.48643%0.433SS..THydrogen-bonded Turntrans-86.83.8177.3-69.9-67149.200112.8W162 F190 M191 E192W162-E194 HydrophobicContact CH2-CB 3.58Å; W162-E194 HydrophobicContact CH2-CG 3.79Å; W162-E194 HydrophobicContact CZ2-CG 4.47Å; W162-E194 HydrophobicContact CZ3-CB 3.7Å; W162-E194 HydrophobicContact CZ3-CG 4.13Å; F190-E194 HydrophobicContact CD1-CG 4.4Å; F190-E194 HydrophobicContact CE1-CG 3.95Å; F190-E194 HydrophobicContact CE2-CG 4.09Å; F190-E194 HydrophobicContact CZ-CG 3.78Å; F190-E194 WeakPolarHBondContact O-CG 3.29Å; F190-E194 PolarHBondContact O-N 3.22Å; M191-E194 PolarHBondContact O-N 3.36Å; E192-E194 VanDerWaalsContact C-N 3.32Å; E192-E194 PolarHBondContact O-N 3.14Å
195G87.6Confident90.9Very high63 Ų6379.7 Ų79.765%0.64943%0.433SS*.THydrogen-bonded Turntrans8415.3174.200000115.6M191 E192 S193M191-G195 PolarHBondContact O-N 2.74Å; E192-G195 PolarHBondContact O-N 2.82Å; E192-G195 VanDerWaalsContact O-N 3.16Å; S193-G195 VanDerWaalsContact C-N 3.27Å; S193-G195 PolarHBondContact O-N 3.05Å
196I89.3Confident90.4Very high35 Ų3580.6 Ų80.618%0.17943%0.434CS..  trans-95.3115.6174.5-59.3-174.2000109.7W162 K163 M191 L198W162-I196 HydrophobicContact CE3-CD1 3.79Å; W162-I196 HydrophobicContact CH2-CD1 4.46Å; W162-I196 HydrophobicContact CZ3-CD1 3.41Å; W162-I196 VanDerWaalsContact CZ3-CD1 3.41Å; W162-I196 HydrophobicContact CZ3-CG1 4.18Å; K163-I196 HydrophobicContact CB-CD1 4.31Å; K163-I196 HydrophobicContact CG-CD1 4.24Å; M191-I196 CarbonylContact C-O 3.4Å; M191-I196 HydrophobicContact CB-CB 4.34Å; M191-I196 PolarHBondContact O-N 3.24Å; M191-I196 HydrophobicContact SD-CB 4.31Å; M191-I196 HydrophobicContact SD-CD1 3.97Å; M191-I196 HydrophobicContact SD-CG2 4.49Å; I196-L198 PolarHBondContact O-N 3.4Å
197V88.9Confident89.9Confident125 Ų12577.5 Ų77.576%0.75842%0.421SS*.PPolyproline II helixtrans-78.8116.2172.4-176.60000109.1N166N166-V197 PolarHBondContact ND2-O 2.7Å
198L89.8Confident89.4Confident26 Ų2679.2 Ų79.214%0.13643%0.433CS..PPolyproline II helixtrans-74.7143.1176.6-69.9170.9000111.3N166 L167 K188 M191 I196N166-L198 WeakPolarHBondContact OD1-CA 2.87Å; N166-L198 WeakPolarHBondContact OD1-CD2 3.5Å; L167-L198 HydrophobicContact CD1-CB 4.36Å; L167-L198 HydrophobicContact CG-CD2 4.38Å; K188-L198 HydrophobicContact CB-CD1 4.17Å; K188-L198 HydrophobicContact CG-CD1 3.99Å; M191-L198 HydrophobicContact CB-CD1 3.99Å; M191-L198 HydrophobicContact CB-CD2 4.19Å; M191-L198 HydrophobicContact CB-CG 3.99Å; M191-L198 HydrophobicContact CG-CD1 4.34Å; M191-L198 HydrophobicContact CG-CD2 4.12Å; M191-L198 HydrophobicContact CG-CG 4.41Å; I196-L198 PolarHBondContact O-N 3.4Å
199N92Very high88.8Confident85 Ų8578.1 Ų78.146%0.45543%0.426SS..PPolyproline II helixtrans-68.9168.3173.4-65.1-29.3000111.6N166 L167N166-N199 PolarHBondContact OD1-N 2.61Å; L167-N199 HydrophobicContact CB-CB 4.09Å; L167-N199 VanDerWaalsContact CD1-O 3.3Å; L167-N199 WeakPolarHBondContact CD1-O 3.43Å; L167-N199 WeakPolarHBondContact O-CB 3.33Å; L167-N199 PolarHBondContact O-ND2 2.76Å
200E91.2Very high88.1Confident173 Ų17377.4 Ų77.481%0.80843%0.425SS*.PPolyproline II helixtrans-64.4140.5173.5-65.7-176.8172.500111.1
201P92.3Very high87.5Confident85 Ų8581 Ų8155%0.55244%0.441SS*.PPolyproline II helixtrans-65.7136.7179.527-33.9000111.2L167 S181L167-P201 HydrophobicContact CD1-CB 4.47Å; S181-P201 WeakPolarHBondContact O-CA 3.26Å
202E91.5Very high86.8Confident75 Ų7587.9 Ų87.935%0.3547%0.466SS..PPolyproline II helixtrans-95.7138.3179.3-168.5176.6168.100110.5R179 S181 T204R179-E202 IonicContact CZ-OE2 3.74Å; R179-E202 VanDerWaalsContact CZ-OE2 3.27Å; R179-E202 IonicContact NE-OE1 3.7Å; R179-E202 IonicContact NE-OE2 2.8Å; R179-E202 PolarHBondContact NE-OE2 2.72Å; R179-E202 IonicContact NH2-OE2 3.8Å; R179-E202 PolarHBondContact NH2-OE2 3.13Å; S181-E202 WeakPolarHBondContact CB-O 3.3Å; S181-E202 PolarHBondContact O-N 2.67Å; E202-T204 PolarHBondContact O-N 2.91Å
203N87.8Confident85.9Confident150 Ų15088.4 Ų88.480%0.80246%0.464SS*.PPolyproline II helixtrans-70.7127.3173.2-72.2-45.5000110.4
204T85.1Confident84.8Confident75 Ų7588.1 Ų88.146%0.4646%0.462SS..PPolyproline II helixtrans-58.4128.3169.214.20000110.6H99 E202H99-T204 HydrophobicContact CB-CG2 3.89Å; H99-T204 VanDerWaalsContact ND1-CG2 3.34Å; H99-T204 WeakPolarHBondContact ND1-CG2 3.29Å; E202-T204 PolarHBondContact O-N 2.91Å
205P87.6Confident83.7Confident45 Ų4589 Ų8929%0.29247%0.468SS..PPolyproline II helixtrans-65139.7178.724.7-30.2000110.8H99 V114 D207H99-P205 WeakPolarHBondContact CE1-CD 2.91Å; H99-P205 WeakPolarHBondContact NE2-CD 3.4Å; H99-P205 WeakPolarHBondContact NE2-CG 3.32Å; V114-P205 HydrophobicContact CG1-CG 3.98Å; V114-P205 HydrophobicContact CG2-CG 4.14Å; P205-D207 PolarHBondContact O-N 2.97Å
206E82.9Confident82.2Confident131 Ų13193.9 Ų93.961%0.61247%0.472SS*.PPolyproline II helixtrans-66131.7176.4-69.9-174.7164.400110.9P208 K211E206-P208 WeakPolarHBondContact O-CD 3.41Å; E206-K211 WeakPolarHBondContact OE2-CD 3.25Å; E206-K211 IonicContact OE2-NZ 3.93Å; E206-K211 PolarHBondContact OE2-NZ 3.09Å
207D83.3Confident80.5Confident15 Ų1596.7 Ų96.78%0.0849%0.492CS..PPolyproline II helixtrans-71.5122.2172.3-173-48.4000110.2R113 V114 P205 Y209 I210 K211R113-D207 WeakPolarHBondContact CA-OD2 2.94Å; V114-D207 HydrophobicContact CB-CB 4.2Å; V114-D207 PolarHBondContact N-OD2 3.37Å; P205-D207 PolarHBondContact O-N 2.97Å; D207-Y209 PolarHBondContact O-N 3.48Å; D207-Y209 WeakPolarHBondContact OD1-CA 3.38Å; D207-Y209 VanDerWaalsContact OD1-CB 3.26Å; D207-Y209 WeakPolarHBondContact OD1-CB 3.43Å; D207-Y209 PolarHBondContact OD1-N 3.12Å; D207-I210 HydrophobicContact CB-CB 4.06Å; D207-I210 HydrophobicContact CB-CD1 3.81Å; D207-I210 HydrophobicContact CB-CG1 3.83Å; D207-I210 PolarHBondContact O-N 3.39Å; D207-I210 PolarHBondContact OD1-N 2.89Å; D207-K211 PolarHBondContact O-N 3.41Å
208P83.8Confident78.7Confident37 Ų3797.8 Ų97.824%0.2449%0.494CS..Hα-helixtrans-55.1-34.5179.2-25.634.2000114.3Y112 E206 R212Y112-P208 HydrophobicContact CE1-CG 4.27Å; Y112-P208 HydrophobicContact CE2-CG 4.12Å; E206-P208 WeakPolarHBondContact O-CD 3.41Å; P208-R212 WeakPolarHBondContact O-CG 3.32Å; P208-R212 PolarHBondContact O-N 3Å; P208-R212 VanDerWaalsContact O-N 3.07Å
209Y81.2Confident76.9Confident78 Ų78103.8 Ų103.831%0.30652%0.521SS..Hα-helixtrans-71.9-44.7179174.4-94.5000111.7E110 D207 K211 R212 R213E110-Y209 WeakPolarHBondContact OE2-CB 3.22Å; D207-Y209 PolarHBondContact O-N 3.48Å; D207-Y209 WeakPolarHBondContact OD1-CA 3.38Å; D207-Y209 VanDerWaalsContact OD1-CB 3.26Å; D207-Y209 WeakPolarHBondContact OD1-CB 3.43Å; D207-Y209 PolarHBondContact OD1-N 3.12Å; Y209-K211 VanDerWaalsContact C-N 3.29Å; Y209-K211 PolarHBondContact O-N 3.39Å; Y209-R212 PolarHBondContact O-N 3.19Å; Y209-R213 WeakPolarHBondContact O-CB 3.19Å; Y209-R213 PolarHBondContact O-N 3.18Å
210I79.4Confident74.9Confident97 Ų97107.4 Ų107.450%0.49754%0.535SS..Hα-helixtrans-61.7-41.8176.4-61.3179.6000110.1D207 R213 S214D207-I210 HydrophobicContact CB-CB 4.06Å; D207-I210 HydrophobicContact CB-CD1 3.81Å; D207-I210 HydrophobicContact CB-CG1 3.83Å; D207-I210 PolarHBondContact O-N 3.39Å; D207-I210 PolarHBondContact OD1-N 2.89Å; I210-R213 PolarHBondContact O-N 2.99Å; I210-S214 PolarHBondContact O-N 3.2Å; I210-S214 PolarHBondContact O-OG 2.85Å
211K80.7Confident72.9Confident102 Ų102106.4 Ų106.444%0.44353%0.53SS..Hα-helixtrans-61.2-44.3175.7-171.1174.6-166.1143.40112.9E206 D207 Y209 R213 S214 I215E206-K211 WeakPolarHBondContact OE2-CD 3.25Å; E206-K211 IonicContact OE2-NZ 3.93Å; E206-K211 PolarHBondContact OE2-NZ 3.09Å; D207-K211 PolarHBondContact O-N 3.41Å; Y209-K211 VanDerWaalsContact C-N 3.29Å; Y209-K211 PolarHBondContact O-N 3.39Å; K211-R213 VanDerWaalsContact C-N 3.27Å; K211-R213 PolarHBondContact O-N 3.42Å; K211-S214 PolarHBondContact O-N 3.25Å; K211-S214 PolarHBondContact O-OG 3.01Å; K211-I215 HydrophobicContact CG-CD1 3.94Å; K211-I215 WeakPolarHBondContact O-CD1 3.49Å; K211-I215 WeakPolarHBondContact O-CG1 2.91Å; K211-I215 PolarHBondContact O-N 3.27Å; K211-I215 VanDerWaalsContact O-N 3.12Å
212R76.3Confident70.8Confident143 Ų143106.2 Ų106.254%0.5453%0.527SS..Hα-helixtrans-63-35.5175.5-75.2175.1-173.6-165.9-1.1112A109 P208 Y209 K216A109-R212 PolarHBondContact O-NH1 3.14Å; P208-R212 WeakPolarHBondContact O-CG 3.32Å; P208-R212 PolarHBondContact O-N 3Å; P208-R212 VanDerWaalsContact O-N 3.07Å; Y209-R212 PolarHBondContact O-N 3.19Å; R212-K216 PolarHBondContact O-N 3.21Å
213R73.4Confident68.9Low123 Ų123109 Ų10946%0.46455%0.545SS..Hα-helixtrans-76.2-30.4179.3-161179.4-160.8169.36.1113.2N137 Y209 I210 K211 K216N137-R213 PolarHBondContact O-NH1 3.47Å; Y209-R213 WeakPolarHBondContact O-CB 3.19Å; Y209-R213 PolarHBondContact O-N 3.18Å; I210-R213 PolarHBondContact O-N 2.99Å; K211-R213 VanDerWaalsContact C-N 3.27Å; K211-R213 PolarHBondContact O-N 3.42Å; R213-K216 CarbonylContact O-C 3.46Å
214S69Low67.2Low83 Ų83110.2 Ų110.258%0.5854%0.543SS*.Hα-helixtrans-76.7-34.6175.162.90000112.4I210 K211 K216I210-S214 PolarHBondContact O-N 3.2Å; I210-S214 PolarHBondContact O-OG 2.85Å; K211-S214 PolarHBondContact O-N 3.25Å; K211-S214 PolarHBondContact O-OG 3.01Å; S214-K216 VanDerWaalsContact C-N 3.31Å; S214-K216 PolarHBondContact O-N 3.48Å
215I65.3Low65.6Low122 Ų122109.2 Ų109.263%0.62654%0.539SS*.Hα-helixtrans-68.6-30.3177.3-67.8165.7000112K211 P217K211-I215 HydrophobicContact CG-CD1 3.94Å; K211-I215 WeakPolarHBondContact O-CD1 3.49Å; K211-I215 WeakPolarHBondContact O-CG1 2.91Å; K211-I215 PolarHBondContact O-N 3.27Å; K211-I215 VanDerWaalsContact O-N 3.12Å; I215-P217 VanDerWaalsContact C-CD 3.5Å; I215-P217 WeakPolarHBondContact O-CD 3.45Å
216K56.4Low64Low166 Ų166112.7 Ų112.772%0.72256%0.562SS**SBendtrans-89.290.5165.4-67.1-173.6-178.4-174.60106.7R212 R213 S214 N218R212-K216 PolarHBondContact O-N 3.21Å; R213-K216 CarbonylContact O-C 3.46Å; S214-K216 VanDerWaalsContact C-N 3.31Å; S214-K216 PolarHBondContact O-N 3.48Å; K216-N218 PolarHBondContact O-N 3.44Å; K216-N218 VanDerWaalsContact O-N 3.13Å
217P52.7Low62.6Low94 Ų94109.3 Ų109.361%0.6156%0.556SS**  trans-50.2135.2166.324.8-32.6000105.7I215 Q219I215-P217 VanDerWaalsContact C-CD 3.5Å; I215-P217 WeakPolarHBondContact O-CD 3.45Å; P217-Q219 PolarHBondContact O-N 3Å
218N51.8Low61.4Low148 Ų148115.7 Ų115.779%0.79158%0.583SS**  trans-45.6106.3147.3-99.5-9.1000102.3K216 E220K216-N218 PolarHBondContact O-N 3.44Å; K216-N218 VanDerWaalsContact O-N 3.13Å; N218-E220 PolarHBondContact O-N 2.89Å
219Q51.6Low60.4Low153 Ų153121.2 Ų121.272%0.71560%0.604SS**  trans-55.998.3158.1-76.7-178-25.800100.1P217 H221P217-Q219 PolarHBondContact O-N 3Å; Q219-H221 PolarHBondContact O-N 3.07Å
220E50.1Low60Low161 Ų161123.7 Ų123.775%0.75262%0.618SS**  trans-45.3109.2152.4-71.8-174.4170.800100.7N218 V222N218-E220 PolarHBondContact O-N 2.89Å; E220-V222 HydrophobicContact CB-CG2 3.84Å; E220-V222 PolarHBondContact O-N 3.44Å
221H49.4Very low59.8Low151 Ų151126.7 Ų126.770%0.69963%0.627SS**  trans-6475.5165.3-77.1-83.3000103Q219 N223Q219-H221 PolarHBondContact O-N 3.07Å; H221-N223 PolarHBondContact O-N 3.28Å
222V48.4Very low59.9Low81 Ų81126.4 Ų126.449%0.49163%0.63SS.*  trans-63.491161.6177000099.9E220 K224E220-V222 HydrophobicContact CB-CG2 3.84Å; E220-V222 PolarHBondContact O-N 3.44Å; V222-K224 HydrophobicContact CG1-CB 3.94Å; V222-K224 HydrophobicContact CG1-CD 3.57Å; V222-K224 HydrophobicContact CG1-CG 3.5Å; V222-K224 VanDerWaalsContact CG1-CG 3.5Å; V222-K224 PolarHBondContact O-N 3.3Å
223N51.6Low60.3Low133 Ų133125.8 Ų125.871%0.71163%0.629SS**  trans-66.247170.1-68.6-39.4000108.3H221 S225H221-N223 PolarHBondContact O-N 3.28Å; N223-S225 PolarHBondContact O-N 3Å; N223-S225 PolarHBondContact O-OG 2.88Å
224K51.7Low60.8Low176 Ų176124.5 Ų124.577%0.76562%0.624SS**  trans-6787.7156.1-83.1174.2-172.8-1780103.9V222 P226V222-K224 HydrophobicContact CG1-CB 3.94Å; V222-K224 HydrophobicContact CG1-CD 3.57Å; V222-K224 HydrophobicContact CG1-CG 3.5Å; V222-K224 VanDerWaalsContact CG1-CG 3.5Å; V222-K224 PolarHBondContact O-N 3.3Å; K224-P226 WeakPolarHBondContact O-CD 3.46Å
225S50.8Low61.5Low54 Ų54125.1 Ų125.138%0.37862%0.616SS.*  trans-90.484.8160.729.50000105.9N223 A227 K228N223-S225 PolarHBondContact O-N 3Å; N223-S225 PolarHBondContact O-OG 2.88Å; S225-A227 PolarHBondContact O-N 3.46Å; S225-A227 VanDerWaalsContact O-N 3.14Å; S225-K228 PolarHBondContact O-N 3.12Å
226P53.8Low62.6Low119 Ų119124.9 Ų124.977%0.77362%0.616SS**THydrogen-bonded Turntrans-60-22178.224.2-33.9000112.2K224 K228K224-P226 WeakPolarHBondContact O-CD 3.46Å; P226-K228 PolarHBondContact O-N 2.78Å
227A54.3Low64Low59 Ų59122.5 Ų122.549%0.48861%0.607SS.*THydrogen-bonded Turntrans-76.3-6.5-177.100000116.2S225S225-A227 PolarHBondContact O-N 3.46Å; S225-A227 VanDerWaalsContact O-N 3.14Å
228K57.5Low65.7Low149 Ų149120.2 Ų120.265%0.64859%0.589SS**Hα-helixtrans-74.1-31.2-178.9-79.3-176.8-179.5176.90113.2S225 P226 L232S225-K228 PolarHBondContact O-N 3.12Å; P226-K228 PolarHBondContact O-N 2.78Å; K228-L232 VanDerWaalsContact O-CB 3.31Å; K228-L232 WeakPolarHBondContact O-CB 3.36Å; K228-L232 PolarHBondContact O-N 2.87Å; K228-L232 VanDerWaalsContact O-N 3.12Å
229F63.2Low67.3Low154 Ų154121 Ų12168%0.67558%0.582SS**Hα-helixtrans-70.3-46.2-175.3-171.9-98.4000112.3L232 Y233F229-L232 PolarHBondContact O-N 2.78Å; F229-Y233 VanDerWaalsContact O-CB 3.32Å; F229-Y233 WeakPolarHBondContact O-CB 3.5Å; F229-Y233 PolarHBondContact O-N 3.01Å
230E71.8Confident68.8Low130 Ų130116.6 Ų116.661%0.60758%0.578SS**Hα-helixtrans-66-42.4179.1-70.7-166.3161.100112.9L232 Y233 R234E230-L232 VanDerWaalsContact C-N 3.33Å; E230-L232 PolarHBondContact O-N 2.93Å; E230-Y233 PolarHBondContact O-N 2.83Å; E230-R234 WeakPolarHBondContact O-CB 3.43Å; E230-R234 WeakPolarHBondContact O-CG 3.09Å; E230-R234 PolarHBondContact O-N 3.45Å
231K75.4Confident70.8Confident160 Ų160112.3 Ų112.370%0.69656%0.558SS**Hα-helixtrans-61.4-42.6176.6-73.7-173.3178.8-175.40111.3F235K231-F235 WeakPolarHBondContact O-CB 3.31Å; K231-F235 PolarHBondContact O-N 2.97Å
232L82.4Confident73Confident95 Ų95106.8 Ų106.850%0.49753%0.534SS..Hα-helixtrans-67.2-42.5176.5-177.763.3000111.7K228 F229 E230 F235 L236K228-L232 VanDerWaalsContact O-CB 3.31Å; K228-L232 WeakPolarHBondContact O-CB 3.36Å; K228-L232 PolarHBondContact O-N 2.87Å; K228-L232 VanDerWaalsContact O-N 3.12Å; F229-L232 PolarHBondContact O-N 2.78Å; E230-L232 VanDerWaalsContact C-N 3.33Å; E230-L232 PolarHBondContact O-N 2.93Å; L232-F235 WeakPolarHBondContact O-CB 3.02Å; L232-F235 PolarHBondContact O-N 3Å; L232-L236 HydrophobicContact CD1-CD1 4.26Å; L232-L236 HydrophobicContact CD1-CG 4.23Å; L232-L236 HydrophobicContact CG-CD1 4.01Å; L232-L236 HydrophobicContact CG-CG 4.38Å; L232-L236 VanDerWaalsContact O-CG 3.32Å; L232-L236 WeakPolarHBondContact O-CG 3.26Å; L232-L236 PolarHBondContact O-N 3.34Å
233Y84.8Confident75.2Confident130 Ų130102.9 Ų102.951%0.5151%0.511SS..Hα-helixtrans-61.4-47.8177.7-178.4-91.3000111.8F229 E230 F235 L236 H237F229-Y233 VanDerWaalsContact O-CB 3.32Å; F229-Y233 WeakPolarHBondContact O-CB 3.5Å; F229-Y233 PolarHBondContact O-N 3.01Å; E230-Y233 PolarHBondContact O-N 2.83Å; Y233-F235 VanDerWaalsContact C-N 3.32Å; Y233-F235 PolarHBondContact O-N 3.26Å; Y233-L236 PolarHBondContact O-N 3.46Å; Y233-H237 AromaticContact CD2-CD2 3.59Å; Y233-H237 AromaticContact CD2-NE2 3.81Å; Y233-H237 AromaticContact CE1-CD2 3.86Å; Y233-H237 AromaticContact CE2-CD2 3.29Å; Y233-H237 WeakPolarHBondContact CE2-CD2 3.34Å; Y233-H237 AromaticContact CE2-NE2 3.26Å; Y233-H237 VanDerWaalsContact CE2-NE2 3.26Å; Y233-H237 WeakPolarHBondContact CE2-NE2 3.46Å; Y233-H237 AromaticContact CG-CD2 4Å; Y233-H237 AromaticContact CZ-CD2 3.43Å; Y233-H237 VanDerWaalsContact CZ-CD2 3.43Å; Y233-H237 AromaticContact CZ-NE2 3.7Å; Y233-H237 PolarHBondContact O-CD2 3.22Å; Y233-H237 PolarHBondContact O-N 2.97Å
234R83.9Confident77.3Confident97 Ų97100 Ų10037%0.36649%0.49SS..Hα-helixtrans-58.7-44.9174.3-73.5-173.9-167.4-162.54.5111.1E230 I238 D271E230-R234 WeakPolarHBondContact O-CB 3.43Å; E230-R234 WeakPolarHBondContact O-CG 3.09Å; E230-R234 PolarHBondContact O-N 3.45Å; R234-I238 HydrophobicContact CB-CD1 4.45Å; R234-I238 HydrophobicContact CG-CD1 4.38Å; R234-I238 WeakPolarHBondContact O-CA 3.5Å; R234-I238 WeakPolarHBondContact O-CB 3.49Å; R234-I238 PolarHBondContact O-N 2.97Å; R234-D271 IonicContact NH1-OD2 3.03Å; R234-D271 PolarHBondContact NH1-OD2 3Å
235F85.3Confident79.4Confident95 Ų9591.6 Ų91.642%0.41745%0.454SS..Hα-helixtrans-57.1-53.3174.5-176.5-95000111K231 L232 Y233 H237 Y239 V269K231-F235 WeakPolarHBondContact O-CB 3.31Å; K231-F235 PolarHBondContact O-N 2.97Å; L232-F235 WeakPolarHBondContact O-CB 3.02Å; L232-F235 PolarHBondContact O-N 3Å; Y233-F235 VanDerWaalsContact C-N 3.32Å; Y233-F235 PolarHBondContact O-N 3.26Å; F235-H237 VanDerWaalsContact C-N 3.35Å; F235-H237 PolarHBondContact O-N 3.07Å; F235-Y239 AromaticContact CD2-CD2 3.73Å; F235-Y239 HydrophobicContact CD2-CD2 3.73Å; F235-Y239 HydrophobicContact CD2-CE2 4.34Å; F235-Y239 HydrophobicContact CD2-CG 4.5Å; F235-Y239 HydrophobicContact CE1-CD2 4.49Å; F235-Y239 AromaticContact CE2-CD2 3.21Å; F235-Y239 HydrophobicContact CE2-CD2 3.21Å; F235-Y239 AromaticContact CE2-CE2 3.41Å; F235-Y239 HydrophobicContact CE2-CE2 3.41Å; F235-Y239 VanDerWaalsContact CE2-CE2 3.41Å; F235-Y239 HydrophobicContact CE2-CG 4.12Å; F235-Y239 AromaticContact CZ-CD2 3.65Å; F235-Y239 HydrophobicContact CZ-CD2 3.65Å; F235-Y239 AromaticContact CZ-CE2 3.72Å; F235-Y239 HydrophobicContact CZ-CE2 3.72Å; F235-Y239 HydrophobicContact CZ-CG 4.22Å; F235-Y239 WeakPolarHBondContact O-CA 3.26Å; F235-Y239 WeakPolarHBondContact O-CB 3.01Å; F235-Y239 PolarHBondContact O-N 2.77Å; F235-V269 HydrophobicContact CB-CG1 4.37Å; F235-V269 HydrophobicContact CD2-CG1 4.16Å
236L87.9Confident81.4Confident118 Ų11891.8 Ų91.862%0.61845%0.447SS*.Hα-helixtrans-62.6-36.4-175.6-68.2171.9000114.2L232 Y233L232-L236 HydrophobicContact CD1-CD1 4.26Å; L232-L236 HydrophobicContact CD1-CG 4.23Å; L232-L236 HydrophobicContact CG-CD1 4.01Å; L232-L236 HydrophobicContact CG-CG 4.38Å; L232-L236 VanDerWaalsContact O-CG 3.32Å; L232-L236 WeakPolarHBondContact O-CG 3.26Å; L232-L236 PolarHBondContact O-N 3.34Å; Y233-L236 PolarHBondContact O-N 3.46Å
237H85.6Confident83.3Confident115 Ų11586.1 Ų86.153%0.53241%0.41SS..Hα-helixtrans-94-28.3-175.1-74.5-76.1000114.7Y233 F235Y233-H237 AromaticContact CD2-CD2 3.59Å; Y233-H237 AromaticContact CD2-NE2 3.81Å; Y233-H237 AromaticContact CE1-CD2 3.86Å; Y233-H237 AromaticContact CE2-CD2 3.29Å; Y233-H237 WeakPolarHBondContact CE2-CD2 3.34Å; Y233-H237 AromaticContact CE2-NE2 3.26Å; Y233-H237 VanDerWaalsContact CE2-NE2 3.26Å; Y233-H237 WeakPolarHBondContact CE2-NE2 3.46Å; Y233-H237 AromaticContact CG-CD2 4Å; Y233-H237 AromaticContact CZ-CD2 3.43Å; Y233-H237 VanDerWaalsContact CZ-CD2 3.43Å; Y233-H237 AromaticContact CZ-NE2 3.7Å; Y233-H237 PolarHBondContact O-CD2 3.22Å; Y233-H237 PolarHBondContact O-N 2.97Å; F235-H237 VanDerWaalsContact C-N 3.35Å; F235-H237 PolarHBondContact O-N 3.07Å
238I87.6Confident85Confident46 Ų4684.8 Ų84.824%0.23639%0.393CS..Hα-helixtrans-111.9-6.6-170.5-53.1176.5000111R234 G240 Q241 L268 V269R234-I238 HydrophobicContact CB-CD1 4.45Å; R234-I238 HydrophobicContact CG-CD1 4.38Å; R234-I238 WeakPolarHBondContact O-CA 3.5Å; R234-I238 WeakPolarHBondContact O-CB 3.49Å; R234-I238 PolarHBondContact O-N 2.97Å; I238-G240 PolarHBondContact O-N 3.35Å; I238-Q241 HydrophobicContact CG2-CB 4.11Å; I238-Q241 VanDerWaalsContact O-CB 3.26Å; I238-Q241 WeakPolarHBondContact O-CB 3.26Å; I238-Q241 WeakPolarHBondContact O-CG 3.4Å; I238-Q241 PolarHBondContact O-N 3.35Å; I238-L268 HydrophobicContact CG2-CB 3.32Å; I238-L268 HydrophobicContact CG2-CD1 4.46Å; I238-V269 HydrophobicContact CB-CG2 4.3Å; I238-V269 HydrophobicContact CG2-CG2 4.18Å; I238-V269 WeakPolarHBondContact O-CG2 3.49Å
239Y85.8Confident86.5Confident164 Ų16479 Ų7964%0.64337%0.368SS*.THydrogen-bonded Turntrans-56133.3-179.7-177-100.7000113.1F235 Q241F235-Y239 AromaticContact CD2-CD2 3.73Å; F235-Y239 HydrophobicContact CD2-CD2 3.73Å; F235-Y239 HydrophobicContact CD2-CE2 4.34Å; F235-Y239 HydrophobicContact CD2-CG 4.5Å; F235-Y239 HydrophobicContact CE1-CD2 4.49Å; F235-Y239 AromaticContact CE2-CD2 3.21Å; F235-Y239 HydrophobicContact CE2-CD2 3.21Å; F235-Y239 AromaticContact CE2-CE2 3.41Å; F235-Y239 HydrophobicContact CE2-CE2 3.41Å; F235-Y239 VanDerWaalsContact CE2-CE2 3.41Å; F235-Y239 HydrophobicContact CE2-CG 4.12Å; F235-Y239 AromaticContact CZ-CD2 3.65Å; F235-Y239 HydrophobicContact CZ-CD2 3.65Å; F235-Y239 AromaticContact CZ-CE2 3.72Å; F235-Y239 HydrophobicContact CZ-CE2 3.72Å; F235-Y239 HydrophobicContact CZ-CG 4.22Å; F235-Y239 WeakPolarHBondContact O-CA 3.26Å; F235-Y239 WeakPolarHBondContact O-CB 3.01Å; F235-Y239 PolarHBondContact O-N 2.77Å; Y239-Q241 VanDerWaalsContact C-N 3.27Å; Y239-Q241 PolarHBondContact O-N 3.05Å
240G84.1Confident87.4Confident61 Ų6173 Ų7363%0.62934%0.343SS*.THydrogen-bonded Turntrans83.4-9.1-175.600000114.7I238 V242I238-G240 PolarHBondContact O-N 3.35Å; G240-V242 PolarHBondContact O-N 3.5Å
241Q91.9Very high87.4Confident71 Ų7170.5 Ų70.533%0.33233%0.332SS..  trans-83.8112.8174.4-59.7-177.3-5.100110.4I238 Y239 L268 F348I238-Q241 HydrophobicContact CG2-CB 4.11Å; I238-Q241 VanDerWaalsContact O-CB 3.26Å; I238-Q241 WeakPolarHBondContact O-CB 3.26Å; I238-Q241 WeakPolarHBondContact O-CG 3.4Å; I238-Q241 PolarHBondContact O-N 3.35Å; Y239-Q241 VanDerWaalsContact C-N 3.27Å; Y239-Q241 PolarHBondContact O-N 3.05Å; Q241-L268 HydrophobicContact CB-CD1 3.96Å; Q241-L268 PolarHBondContact O-N 3.26Å; Q241-F348 HydrophobicContact CB-CE1 4.18Å; Q241-F348 HydrophobicContact CB-CZ 3.76Å; Q241-F348 HydrophobicContact CG-CZ 3.91Å
242V95.3Very high86.6Confident35 Ų3567.3 Ų67.321%0.21233%0.328CS..EExtended strand (participates in β ladder)trans-132.8128.8-178.1-1730000108.7G240 Y265 Y266 Y267 F348G240-V242 PolarHBondContact O-N 3.5Å; V242-Y265 HydrophobicContact CG1-CD1 4Å; V242-Y265 HydrophobicContact CG1-CG 4.46Å; V242-Y266 WeakPolarHBondContact CA-O 2.93Å; V242-Y266 WeakPolarHBondContact CG1-O 3.18Å; V242-Y267 HydrophobicContact CB-CD1 4.43Å; V242-Y267 HydrophobicContact CG1-CD1 4.04Å; V242-Y267 HydrophobicContact CG1-CE1 4.09Å; V242-Y267 HydrophobicContact CG1-CG 4.34Å; V242-Y267 HydrophobicContact CG2-CD1 3.5Å; V242-Y267 HydrophobicContact CG2-CE1 3.76Å; V242-Y267 HydrophobicContact CG2-CG 4.39Å; V242-F348 WeakPolarHBondContact O-CD1 3.5Å
243L95Very high85.3Confident0 Ų068.9 Ų68.90%034%0.337CS..EExtended strand (participates in β ladder)trans-83.7130.8172.4-47.9173.5000108.3F245 Y265 Y266 L268 P324 F348 T349 Y352 Y353L243-F245 HydrophobicContact CB-CE2 3.73Å; L243-F245 HydrophobicContact CB-CZ 4.08Å; L243-Y265 CarbonylContact O-C 3.44Å; L243-Y265 WeakPolarHBondContact O-CA 3.48Å; L243-Y266 HydrophobicContact CD1-CD1 4.14Å; L243-Y266 PolarHBondContact N-O 3.41Å; L243-Y266 PolarHBondContact O-N 3.41Å; L243-L268 HydrophobicContact CD1-CD2 3.86Å; L243-L268 HydrophobicContact CD1-CG 4.41Å; L243-L268 HydrophobicContact CD2-CD1 4.1Å; L243-L268 HydrophobicContact CG-CD1 4.23Å; L243-L268 HydrophobicContact CG-CD2 4.14Å; L243-L268 HydrophobicContact CG-CG 4.14Å; L243-P324 HydrophobicContact CD1-CB 4.05Å; L243-P324 HydrophobicContact CD1-CG 4.36Å; L243-F348 HydrophobicContact CD2-CD1 4.47Å; L243-F348 HydrophobicContact CD2-CE1 4.08Å; L243-T349 WeakPolarHBondContact CA-OG1 3.28Å; L243-T349 HydrophobicContact CB-CG2 3.93Å; L243-T349 HydrophobicContact CD2-CG2 4.13Å; L243-Y352 HydrophobicContact CD1-CD1 4.03Å; L243-Y352 HydrophobicContact CD1-CE1 3.91Å; L243-Y352 HydrophobicContact CD2-CD1 3.5Å; L243-Y352 HydrophobicContact CD2-CD2 4.19Å; L243-Y352 HydrophobicContact CD2-CE1 4.11Å; L243-Y352 HydrophobicContact CD2-CG 3.56Å; L243-Y352 HydrophobicContact CG-CD1 4.4Å; L243-Y353 HydrophobicContact CD1-CE2 3.9Å
244R95.8Very high83.7Confident71 Ų7167.2 Ų67.227%0.26835%0.351SS..EExtended strand (participates in β ladder)trans-121.5122.7-177.2179.817872.2-176.1-0.7109.5Y246 I263 I264 Y265 C345 D346 T349R244-Y246 PolarHBondContact NE-OH 2.65Å; R244-Y246 PolarHBondContact NH2-OH 3.45Å; R244-Y246 VanDerWaalsContact NH2-OH 3.1Å; R244-I263 HydrophobicContact CG-CG2 3.71Å; R244-I264 WeakPolarHBondContact CA-O 3.44Å; R244-Y265 HydrophobicContact CB-CD1 4.25Å; R244-Y265 HydrophobicContact CB-CE1 4.33Å; R244-Y265 HydrophobicContact CG-CD1 4.16Å; R244-Y265 HydrophobicContact CG-CE1 3.86Å; R244-C345 WeakPolarHBondContact O-CA 3.39Å; R244-D346 HydrophobicContact CB-CB 3.93Å; R244-D346 HydrophobicContact CG-CB 4.48Å; R244-D346 IonicContact CZ-OD1 3.79Å; R244-D346 IonicContact CZ-OD2 3.1Å; R244-D346 IonicContact NE-OD2 3.46Å; R244-D346 PolarHBondContact NE-OD2 3.4Å; R244-D346 IonicContact NH2-OD1 3.91Å; R244-D346 PolarHBondContact NH2-OD1 2.82Å; R244-D346 IonicContact NH2-OD2 2.69Å; R244-D346 PolarHBondContact NH2-OD2 3.03Å; R244-D346 VanDerWaalsContact NH2-OD2 3.11Å; R244-D346 PolarHBondContact O-N 2.92Å; R244-T349 PolarHBondContact N-OG1 2.81Å; R244-T349 PolarHBondContact O-OG1 3Å
245F95.1Very high82.4Confident0 Ų073.5 Ų73.50%038%0.376CS..EExtended strand (participates in β ladder)trans-117.5142.1178.1-54.9-88000110.6L243 I263 I264 F327 L329 L342 C345 T349 Y353L243-F245 HydrophobicContact CB-CE2 3.73Å; L243-F245 HydrophobicContact CB-CZ 4.08Å; F245-I263 WeakPolarHBondContact O-CA 3.34Å; F245-I264 HydrophobicContact CB-CB 4.4Å; F245-I264 PolarHBondContact N-O 3.19Å; F245-I264 PolarHBondContact O-N 2.95Å; F245-F327 HydrophobicContact CD1-CB 4.49Å; F245-F327 AromaticContact CD2-CD1 3.99Å; F245-F327 HydrophobicContact CD2-CD1 3.99Å; F245-F327 HydrophobicContact CD2-CG 4.38Å; F245-F327 HydrophobicContact CE1-CB 3.88Å; F245-F327 HydrophobicContact CE2-CB 3.93Å; F245-F327 AromaticContact CE2-CD1 3.96Å; F245-F327 HydrophobicContact CE2-CD1 3.96Å; F245-F327 AromaticContact CE2-CG 3.89Å; F245-F327 HydrophobicContact CE2-CG 3.89Å; F245-F327 HydrophobicContact CZ-CB 3.56Å; F245-F327 HydrophobicContact CZ-CD1 4.44Å; F245-F327 HydrophobicContact CZ-CG 4.04Å; F245-L329 HydrophobicContact CD1-CD2 4.35Å; F245-L342 HydrophobicContact CB-CD2 4.06Å; F245-C345 HydrophobicContact CD1-CB 3.89Å; F245-C345 HydrophobicContact CE1-CB 4.3Å; F245-T349 HydrophobicContact CD1-CG2 4.32Å; F245-T349 HydrophobicContact CE1-CG2 3.65Å; F245-T349 HydrophobicContact CE2-CG2 4.38Å; F245-T349 HydrophobicContact CZ-CG2 3.68Å; F245-Y353 HydrophobicContact CE1-CE2 4.14Å; F245-Y353 AromaticContact CZ-CE2 3.74Å; F245-Y353 HydrophobicContact CZ-CE2 3.74Å; F245-Y353 AromaticContact CZ-CZ 3.97Å; F245-Y353 WeakPolarHBondContact CZ-OH 3Å
246Y94Very high80.9Confident59 Ų5975.6 Ų75.623%0.23139%0.387CS..EExtended strand (participates in β ladder)trans-100.8125.3171.3-59.8-77000108.6R244 I263 Y343 D344R244-Y246 PolarHBondContact NE-OH 2.65Å; R244-Y246 PolarHBondContact NH2-OH 3.45Å; R244-Y246 VanDerWaalsContact NH2-OH 3.1Å; Y246-I263 HydrophobicContact CD1-CG1 4.08Å; Y246-I263 HydrophobicContact CE1-CD1 4.23Å; Y246-I263 HydrophobicContact CE1-CG1 4.24Å; Y246-Y343 WeakPolarHBondContact O-CD1 3.38Å; Y246-Y343 PolarHBondContact O-N 3.49Å; Y246-D344 HydrophobicContact CD2-CB 4.11Å; Y246-D344 PolarHBondContact N-O 2.82Å; Y246-D344 PolarHBondContact O-N 3.19Å
247G91.9Very high79.4Confident0 Ų074 Ų740%039%0.386CS..EExtended strand (participates in β ladder)trans-140.9175.2-175.900000113.3P261 V262 F341 Y343G247-P261 WeakPolarHBondContact O-CA 3.25Å; G247-V262 PolarHBondContact N-O 3.45Å; G247-V262 PolarHBondContact O-N 3.45Å; G247-V262 VanDerWaalsContact O-O 3.09Å; G247-F341 CarbonylContact C-O 3.45Å; G247-F341 WeakPolarHBondContact CA-O 3.37Å; G247-Y343 WeakPolarHBondContact O-CE1 3.44Å
248Q90.6Very high78.4Confident30 Ų3072.7 Ų72.714%0.1438%0.379CS..EExtended strand (participates in β ladder)trans-121.2128.7170.6-64.8-171.4-16.400109.4V250 W260 F340 F341 Y343 I367Q248-V250 PolarHBondContact O-N 3.26Å; Q248-W260 CarbonylContact C-O 3.5Å; Q248-W260 VanDerWaalsContact CA-O 3.24Å; Q248-W260 WeakPolarHBondContact CA-O 3.33Å; Q248-F340 CarbonylContact O-C 3.6Å; Q248-F340 WeakPolarHBondContact O-CA 3.46Å; Q248-F341 PolarHBondContact N-O 2.8Å; Q248-F341 PolarHBondContact O-N 3.38Å; Q248-Y343 HydrophobicContact CG-CD1 4.16Å; Q248-Y343 HydrophobicContact CG-CE1 3.99Å; Q248-I367 HydrophobicContact CG-CD1 4.13Å
249W89.1Confident78Confident29 Ų2973.1 Ų73.111%0.1139%0.385CS..EExtended strand (participates in β ladder)trans-71.1121.7166.2178.139.7000108.2E251 T259 W260 V262 F291 H338 F340W249-E251 HydrophobicContact CZ2-CB 4.28Å; W249-E251 HydrophobicContact CZ2-CG 4.29Å; W249-T259 WeakPolarHBondContact O-CA 3.31Å; W249-W260 HydrophobicContact CB-CE3 4.19Å; W249-W260 AromaticContact CD2-CE3 3.48Å; W249-W260 HydrophobicContact CD2-CE3 3.48Å; W249-W260 VanDerWaalsContact CD2-CE3 3.48Å; W249-W260 AromaticContact CD2-CZ3 3.52Å; W249-W260 HydrophobicContact CD2-CZ3 3.52Å; W249-W260 AromaticContact CE2-CZ3 3.89Å; W249-W260 AromaticContact CE3-CD2 3.71Å; W249-W260 HydrophobicContact CE3-CD2 3.71Å; W249-W260 AromaticContact CE3-CE3 2.89Å; W249-W260 HydrophobicContact CE3-CE3 2.89Å; W249-W260 HydrophobicContact CE3-CG 4.47Å; W249-W260 AromaticContact CE3-CH2 3.94Å; W249-W260 HydrophobicContact CE3-CH2 3.94Å; W249-W260 AromaticContact CE3-CZ3 3.04Å; W249-W260 HydrophobicContact CE3-CZ3 3.04Å; W249-W260 HydrophobicContact CG-CE3 4.1Å; W249-W260 HydrophobicContact CG-CZ3 4.41Å; W249-W260 HydrophobicContact CH2-CE3 4.07Å; W249-W260 AromaticContact CH2-CH2 3.55Å; W249-W260 HydrophobicContact CH2-CH2 3.55Å; W249-W260 AromaticContact CH2-CZ3 3.27Å; W249-W260 HydrophobicContact CH2-CZ3 3.27Å; W249-W260 HydrophobicContact CZ2-CH2 4.38Å; W249-W260 AromaticContact CZ2-CZ3 3.78Å; W249-W260 HydrophobicContact CZ2-CZ3 3.78Å; W249-W260 AromaticContact CZ3-CD2 3.93Å; W249-W260 HydrophobicContact CZ3-CD2 3.93Å; W249-W260 AromaticContact CZ3-CE3 3.25Å; W249-W260 HydrophobicContact CZ3-CE3 3.25Å; W249-W260 AromaticContact CZ3-CH2 3.33Å; W249-W260 HydrophobicContact CZ3-CH2 3.33Å; W249-W260 HydrophobicContact CZ3-CZ2 4.07Å; W249-W260 AromaticContact CZ3-CZ3 2.9Å; W249-W260 HydrophobicContact CZ3-CZ3 2.9Å; W249-W260 PolarHBondContact N-O 3.09Å; W249-W260 PolarHBondContact O-N 3.06Å; W249-V262 HydrophobicContact CB-CG1 4.04Å; W249-F291 AromaticContact CD2-CE2 3.98Å; W249-F291 HydrophobicContact CD2-CE2 3.98Å; W249-F291 AromaticContact CD2-CZ 3.9Å; W249-F291 HydrophobicContact CD2-CZ 3.9Å; W249-F291 AromaticContact CE3-CE2 3.67Å; W249-F291 HydrophobicContact CE3-CE2 3.67Å; W249-F291 HydrophobicContact CE3-CZ 4.06Å; W249-F291 HydrophobicContact CG-CZ 4.34Å; W249-F291 HydrophobicContact CZ3-CE2 4.06Å; W249-F291 HydrophobicContact CZ3-CZ 4.49Å; W249-H338 AromaticContact CE2-ND1 3.91Å; W249-H338 AromaticContact CZ2-ND1 3.97Å; W249-H338 AromaticContact NE1-ND1 3.6Å; W249-F340 HydrophobicContact CB-CD1 3.84Å; W249-F340 HydrophobicContact CB-CE1 3.75Å; W249-F340 AromaticContact CD1-CE1 3.81Å; W249-F340 HydrophobicContact CG-CD1 4.31Å; W249-F340 AromaticContact CG-CE1 3.93Å; W249-F340 HydrophobicContact CG-CE1 3.93Å
250V81.2Confident77.9Confident27 Ų2767 Ų6716%0.16436%0.36CS..EExtended strand (participates in β ladder)trans-107.5112.2178.4-176.60000107.5Q248 T259 H339 F341Q248-V250 PolarHBondContact O-N 3.26Å; V250-T259 HydrophobicContact CG2-CG2 4.36Å; V250-H339 PolarHBondContact N-O 2.86Å; V250-F341 HydrophobicContact CG2-CB 4.03Å
251E73.4Confident78.1Confident78 Ų7865.3 Ų65.336%0.36434%0.338SS..  trans-72.4130.8169.9-163159.2-135.600109.3W249 D253 W260W249-E251 HydrophobicContact CZ2-CB 4.28Å; W249-E251 HydrophobicContact CZ2-CG 4.29Å; E251-D253 VanDerWaalsContact C-N 3.28Å; E251-D253 PolarHBondContact O-N 2.79Å; E251-W260 HydrophobicContact CB-CH2 4.18Å; E251-W260 HydrophobicContact CB-CZ3 3.94Å; E251-W260 WeakPolarHBondContact OE2-CH2 3.47Å
252C57.8Low78.2Confident93 Ų9362 Ų6263%0.62832%0.323SS*.  trans-81.80.3-175.2-92.60000114
253D54.8Low78.1Confident127 Ų12762 Ų6268%0.67932%0.321SS*.  trans-93130.1-176-77.3-21.6000113.6E251 Y255E251-D253 VanDerWaalsContact C-N 3.28Å; E251-D253 PolarHBondContact O-N 2.79Å; D253-Y255 PolarHBondContact O-N 2.96Å; D253-Y255 VanDerWaalsContact O-N 3.09Å
254A52.2Low78.2Confident96 Ų9662 Ų6279%0.79332%0.321SS*.THydrogen-bonded Turntrans-80.612.3-145.700000117.9
255Y57.3Low78.2Confident228 Ų22860.9 Ų60.989%0.89432%0.317SS*.THydrogen-bonded Turntrans-106-30.6-170.8-72.4-81.4000115D253D253-Y255 PolarHBondContact O-N 2.96Å; D253-Y255 VanDerWaalsContact O-N 3.09Å
256Q53Low78.2Confident140 Ų14061 Ų6165%0.65432%0.318SS*.  trans-151.9111.4172.4-92.8171.2-19.100108H258Q256-H258 VanDerWaalsContact C-N 3.26Å; Q256-H258 VanDerWaalsContact CB-CE1 3.5Å; Q256-H258 WeakPolarHBondContact CB-CE1 3.44Å; Q256-H258 PolarHBondContact O-N 3.45Å; Q256-H258 PolarHBondContact O-ND1 2.67Å; Q256-H258 PolarHBondContact OE1-CE1 3.35Å
257S56.3Low78.2Confident84 Ų8460 Ų6059%0.58731%0.314SS*.  trans-71.783174.860.70000109.8T259S257-T259 PolarHBondContact O-N 3.4Å
258H65.1Low78.3Confident87 Ų8760.5 Ų60.540%0.40332%0.316SS..  trans-74.2123.7165.5-64.595.7000107.6Q256 W260Q256-H258 VanDerWaalsContact C-N 3.26Å; Q256-H258 VanDerWaalsContact CB-CE1 3.5Å; Q256-H258 WeakPolarHBondContact CB-CE1 3.44Å; Q256-H258 PolarHBondContact O-N 3.45Å; Q256-H258 PolarHBondContact O-ND1 2.67Å; Q256-H258 PolarHBondContact OE1-CE1 3.35Å; H258-W260 HydrophobicContact CB-CD2 4.36Å; H258-W260 HydrophobicContact CB-CH2 3.69Å; H258-W260 HydrophobicContact CB-CZ2 3.3Å; H258-W260 HydrophobicContact CB-CZ3 4.26Å
259T78.3Confident78.3Confident56 Ų5660.2 Ų60.234%0.34432%0.317SS..EExtended strand (participates in β ladder)trans-113.4125.8174.149.10000107.6W249 V250 S257W249-T259 WeakPolarHBondContact O-CA 3.31Å; V250-T259 HydrophobicContact CG2-CG2 4.36Å; S257-T259 PolarHBondContact O-N 3.4Å
260W83.5Confident78.3Confident36 Ų3661.6 Ų61.614%0.13633%0.326CS..EExtended strand (participates in β ladder)trans-114.1130.1-179.6-54.8-81000109.8Q248 W249 E251 H258 V262 R285Q248-W260 CarbonylContact C-O 3.5Å; Q248-W260 VanDerWaalsContact CA-O 3.24Å; Q248-W260 WeakPolarHBondContact CA-O 3.33Å; W249-W260 HydrophobicContact CB-CE3 4.19Å; W249-W260 AromaticContact CD2-CE3 3.48Å; W249-W260 HydrophobicContact CD2-CE3 3.48Å; W249-W260 VanDerWaalsContact CD2-CE3 3.48Å; W249-W260 AromaticContact CD2-CZ3 3.52Å; W249-W260 HydrophobicContact CD2-CZ3 3.52Å; W249-W260 AromaticContact CE2-CZ3 3.89Å; W249-W260 AromaticContact CE3-CD2 3.71Å; W249-W260 HydrophobicContact CE3-CD2 3.71Å; W249-W260 AromaticContact CE3-CE3 2.89Å; W249-W260 HydrophobicContact CE3-CE3 2.89Å; W249-W260 HydrophobicContact CE3-CG 4.47Å; W249-W260 AromaticContact CE3-CH2 3.94Å; W249-W260 HydrophobicContact CE3-CH2 3.94Å; W249-W260 AromaticContact CE3-CZ3 3.04Å; W249-W260 HydrophobicContact CE3-CZ3 3.04Å; W249-W260 HydrophobicContact CG-CE3 4.1Å; W249-W260 HydrophobicContact CG-CZ3 4.41Å; W249-W260 HydrophobicContact CH2-CE3 4.07Å; W249-W260 AromaticContact CH2-CH2 3.55Å; W249-W260 HydrophobicContact CH2-CH2 3.55Å; W249-W260 AromaticContact CH2-CZ3 3.27Å; W249-W260 HydrophobicContact CH2-CZ3 3.27Å; W249-W260 HydrophobicContact CZ2-CH2 4.38Å; W249-W260 AromaticContact CZ2-CZ3 3.78Å; W249-W260 HydrophobicContact CZ2-CZ3 3.78Å; W249-W260 AromaticContact CZ3-CD2 3.93Å; W249-W260 HydrophobicContact CZ3-CD2 3.93Å; W249-W260 AromaticContact CZ3-CE3 3.25Å; W249-W260 HydrophobicContact CZ3-CE3 3.25Å; W249-W260 AromaticContact CZ3-CH2 3.33Å; W249-W260 HydrophobicContact CZ3-CH2 3.33Å; W249-W260 HydrophobicContact CZ3-CZ2 4.07Å; W249-W260 AromaticContact CZ3-CZ3 2.9Å; W249-W260 HydrophobicContact CZ3-CZ3 2.9Å; W249-W260 PolarHBondContact N-O 3.09Å; W249-W260 PolarHBondContact O-N 3.06Å; E251-W260 HydrophobicContact CB-CH2 4.18Å; E251-W260 HydrophobicContact CB-CZ3 3.94Å; E251-W260 WeakPolarHBondContact OE2-CH2 3.47Å; H258-W260 HydrophobicContact CB-CD2 4.36Å; H258-W260 HydrophobicContact CB-CH2 3.69Å; H258-W260 HydrophobicContact CB-CZ2 3.3Å; H258-W260 HydrophobicContact CB-CZ3 4.26Å; W260-V262 PolarHBondContact O-N 3.35Å; W260-R285 VanDerWaalsContact CD1-NH1 3.26Å; W260-R285 VanDerWaalsContact NE1-CZ 3.33Å; W260-R285 VanDerWaalsContact NE1-NH1 3.17Å
261P89.5Confident78.8Confident24 Ų2462.3 Ų62.316%0.15633%0.329CS..EExtended strand (participates in β ladder)trans-67.9131.4177.730.5-35.1000109.6G247 A278 Q280G247-P261 WeakPolarHBondContact O-CA 3.25Å; P261-A278 HydrophobicContact CB-CB 4.02Å; P261-A278 HydrophobicContact CG-CB 4.11Å; P261-A278 WeakPolarHBondContact CG-O 3Å; P261-A278 WeakPolarHBondContact O-CB 3.41Å; P261-A278 PolarHBondContact O-N 2.62Å; P261-Q280 HydrophobicContact CG-CG 4.26Å
262V92.3Very high79.8Confident2 Ų259.1 Ų59.11%0.01232%0.315CS..EExtended strand (participates in β ladder)trans-129.6154.8176.8-62.40000110G247 W249 W260 I264 V275 R276 F340G247-V262 PolarHBondContact N-O 3.45Å; G247-V262 PolarHBondContact O-N 3.45Å; G247-V262 VanDerWaalsContact O-O 3.09Å; W249-V262 HydrophobicContact CB-CG1 4.04Å; W260-V262 PolarHBondContact O-N 3.35Å; V262-I264 HydrophobicContact CG2-CD1 4.4Å; V262-I264 HydrophobicContact CG2-CG1 4.39Å; V262-V275 HydrophobicContact CB-CG1 4.21Å; V262-V275 HydrophobicContact CG2-CG1 4.49Å; V262-R276 CarbonylContact C-O 3.54Å; V262-R276 VanDerWaalsContact CA-O 3.28Å; V262-R276 WeakPolarHBondContact CA-O 3.3Å; V262-R276 WeakPolarHBondContact CB-O 3.39Å; V262-F340 HydrophobicContact CG1-CE1 4.32Å; V262-F340 HydrophobicContact CG2-CD1 3.65Å; V262-F340 HydrophobicContact CG2-CE1 4.11Å
263I94.9Very high81.6Confident35 Ų3554.7 Ų54.718%0.17929%0.285CS..EExtended strand (participates in β ladder)trans-116.5124172.8-53174.9000107.3R244 F245 Y246 Y265 R276 A278R244-I263 HydrophobicContact CG-CG2 3.71Å; F245-I263 WeakPolarHBondContact O-CA 3.34Å; Y246-I263 HydrophobicContact CD1-CG1 4.08Å; Y246-I263 HydrophobicContact CE1-CD1 4.23Å; Y246-I263 HydrophobicContact CE1-CG1 4.24Å; I263-Y265 HydrophobicContact CB-CE2 4.11Å; I263-Y265 HydrophobicContact CG2-CD2 4.3Å; I263-Y265 HydrophobicContact CG2-CE1 4.18Å; I263-Y265 HydrophobicContact CG2-CE2 3.6Å; I263-R276 PolarHBondContact N-O 2.86Å; I263-R276 PolarHBondContact O-N 2.66Å; I263-A278 HydrophobicContact CD1-CB 4.44Å; I263-A278 HydrophobicContact CG1-CB 4.29Å
264I95.6Very high83.5Confident0 Ų048.9 Ų48.90%025%0.254CS..EExtended strand (participates in β ladder)trans-107.9125.8-179.5-61.7160.8000108.4R244 F245 V262 V273 V275 F327 L335 F340 L342R244-I264 WeakPolarHBondContact CA-O 3.44Å; F245-I264 HydrophobicContact CB-CB 4.4Å; F245-I264 PolarHBondContact N-O 3.19Å; F245-I264 PolarHBondContact O-N 2.95Å; V262-I264 HydrophobicContact CG2-CD1 4.4Å; V262-I264 HydrophobicContact CG2-CG1 4.39Å; I264-V273 HydrophobicContact CG2-CG1 3.86Å; I264-V275 HydrophobicContact CG1-CB 4.45Å; I264-V275 HydrophobicContact CG1-CG1 3.87Å; I264-V275 HydrophobicContact CG1-CG2 4.03Å; I264-V275 HydrophobicContact CG2-CG2 4.3Å; I264-F327 HydrophobicContact CG2-CE1 3.84Å; I264-L335 HydrophobicContact CD1-CD1 4.27Å; I264-L335 HydrophobicContact CG2-CD1 4.4Å; I264-F340 HydrophobicContact CD1-CB 3.94Å; I264-F340 HydrophobicContact CD1-CD1 4.48Å; I264-F340 HydrophobicContact CD1-CG 4.14Å; I264-L342 HydrophobicContact CD1-CD2 3.52Å
265Y95.8Very high85.5Confident48 Ų4844.3 Ų44.319%0.18822%0.216CC..EExtended strand (participates in β ladder)trans-108.5128.2176.3-60.3-87.2000109.6V242 L243 R244 I263 V273 D274 R276V242-Y265 HydrophobicContact CG1-CD1 4Å; V242-Y265 HydrophobicContact CG1-CG 4.46Å; L243-Y265 CarbonylContact O-C 3.44Å; L243-Y265 WeakPolarHBondContact O-CA 3.48Å; R244-Y265 HydrophobicContact CB-CD1 4.25Å; R244-Y265 HydrophobicContact CB-CE1 4.33Å; R244-Y265 HydrophobicContact CG-CD1 4.16Å; R244-Y265 HydrophobicContact CG-CE1 3.86Å; I263-Y265 HydrophobicContact CB-CE2 4.11Å; I263-Y265 HydrophobicContact CG2-CD2 4.3Å; I263-Y265 HydrophobicContact CG2-CE1 4.18Å; I263-Y265 HydrophobicContact CG2-CE2 3.6Å; Y265-V273 CarbonylContact O-C 3.6Å; Y265-V273 VanDerWaalsContact O-CA 3.29Å; Y265-V273 WeakPolarHBondContact O-CA 3.37Å; Y265-D274 PolarHBondContact N-O 3.45Å; Y265-D274 PolarHBondContact O-N 3.49Å; Y265-R276 HydrophobicContact CD2-CG 4.3Å; Y265-R276 HydrophobicContact CE2-CB 4.34Å; Y265-R276 HydrophobicContact CE2-CG 3.99Å
266Y95.6Very high87.3Confident2 Ų238.1 Ų38.11%0.00819%0.191CC..EExtended strand (participates in β ladder)trans-112.4115.8170.8-170.9-80.6000109.2V242 L243 L268 D271 T272 V273 I322 P324 F327V242-Y266 WeakPolarHBondContact CA-O 2.93Å; V242-Y266 WeakPolarHBondContact CG1-O 3.18Å; L243-Y266 HydrophobicContact CD1-CD1 4.14Å; L243-Y266 PolarHBondContact N-O 3.41Å; L243-Y266 PolarHBondContact O-N 3.41Å; Y266-L268 HydrophobicContact CD1-CD2 4Å; Y266-L268 HydrophobicContact CE1-CD2 4.02Å; Y266-D271 WeakPolarHBondContact OH-CB 3.44Å; Y266-D271 PolarHBondContact OH-OD1 3.33Å; Y266-T272 WeakPolarHBondContact CA-O 3.35Å; Y266-V273 HydrophobicContact CD2-CG2 3.66Å; Y266-V273 HydrophobicContact CE2-CG2 4.02Å; Y266-I322 HydrophobicContact CE2-CG2 4.45Å; Y266-I322 PolarHBondContact OH-O 3.22Å; Y266-P324 HydrophobicContact CD1-CG 4.22Å; Y266-P324 HydrophobicContact CE1-CG 3.63Å; Y266-P324 WeakPolarHBondContact OH-CD 3.48Å; Y266-F327 HydrophobicContact CD2-CD2 4.22Å; Y266-F327 AromaticContact CD2-CE2 3.35Å; Y266-F327 HydrophobicContact CD2-CE2 3.35Å; Y266-F327 AromaticContact CD2-CZ 3.83Å; Y266-F327 HydrophobicContact CD2-CZ 3.83Å; Y266-F327 AromaticContact CE2-CE2 3.8Å; Y266-F327 HydrophobicContact CE2-CE2 3.8Å; Y266-F327 HydrophobicContact CG-CE2 4.28Å
267Y95Very high89.1Confident38 Ų3833.5 Ų33.515%0.14917%0.17CC..EExtended strand (participates in β ladder)trans-90.1114.1-179.3-61.5-94.9000109.6V242 V269 D270 D271 T272 D274 R294V242-Y267 HydrophobicContact CB-CD1 4.43Å; V242-Y267 HydrophobicContact CG1-CD1 4.04Å; V242-Y267 HydrophobicContact CG1-CE1 4.09Å; V242-Y267 HydrophobicContact CG1-CG 4.34Å; V242-Y267 HydrophobicContact CG2-CD1 3.5Å; V242-Y267 HydrophobicContact CG2-CE1 3.76Å; V242-Y267 HydrophobicContact CG2-CG 4.39Å; Y267-V269 PolarHBondContact O-N 3.46Å; Y267-D270 VanDerWaalsContact CB-OD1 3.31Å; Y267-D270 WeakPolarHBondContact CB-OD1 3.5Å; Y267-D271 WeakPolarHBondContact O-CA 3.45Å; Y267-D271 PolarHBondContact O-N 3.04Å; Y267-T272 WeakPolarHBondContact CD2-OG1 3.38Å; Y267-T272 PolarHBondContact N-O 3.12Å; Y267-T272 PolarHBondContact O-N 3.43Å; Y267-D274 HydrophobicContact CE2-CB 3.65Å; Y267-D274 PolarHBondContact OH-OD2 3.03Å; Y267-R294 HydrophobicContact CD2-CG 4.06Å; Y267-R294 HydrophobicContact CE2-CG 3.91Å
268L92.3Very high90.6Very high10 Ų1031 Ų315%0.05215%0.154CC..THydrogen-bonded Turntrans-69.8-16.7-178.3-66.2171.3000113.5I238 Q241 L243 Y266 P324 Y352I238-L268 HydrophobicContact CG2-CB 3.32Å; I238-L268 HydrophobicContact CG2-CD1 4.46Å; Q241-L268 HydrophobicContact CB-CD1 3.96Å; Q241-L268 PolarHBondContact O-N 3.26Å; L243-L268 HydrophobicContact CD1-CD2 3.86Å; L243-L268 HydrophobicContact CD1-CG 4.41Å; L243-L268 HydrophobicContact CD2-CD1 4.1Å; L243-L268 HydrophobicContact CG-CD1 4.23Å; L243-L268 HydrophobicContact CG-CD2 4.14Å; L243-L268 HydrophobicContact CG-CG 4.14Å; Y266-L268 HydrophobicContact CD1-CD2 4Å; Y266-L268 HydrophobicContact CE1-CD2 4.02Å; L268-P324 HydrophobicContact CD2-CG 4.1Å; L268-Y352 HydrophobicContact CD1-CD2 3.79Å; L268-Y352 HydrophobicContact CD1-CE2 3.37Å; L268-Y352 HydrophobicContact CD2-CE1 4.24Å; L268-Y352 HydrophobicContact CD2-CE2 4.06Å; L268-Y352 WeakPolarHBondContact CD2-OH 3.38Å; L268-Y352 HydrophobicContact CG-CE2 4.37Å
269V91Very high91.5Very high25 Ų2531 Ų3115%0.15215%0.154CC..THydrogen-bonded Turntrans-67.1-42-179175.80000111.8F235 I238 Y267F235-V269 HydrophobicContact CB-CG1 4.37Å; F235-V269 HydrophobicContact CD2-CG1 4.16Å; I238-V269 HydrophobicContact CB-CG2 4.3Å; I238-V269 HydrophobicContact CG2-CG2 4.18Å; I238-V269 WeakPolarHBondContact O-CG2 3.49Å; Y267-V269 PolarHBondContact O-N 3.46Å
270D89.3Confident91.7Very high57 Ų5734.3 Ų34.331%0.30517%0.166SC..THydrogen-bonded Turntrans-1339.8-170.256.3-0.3000113.6Y267 T272 R294Y267-D270 VanDerWaalsContact CB-OD1 3.31Å; Y267-D270 WeakPolarHBondContact CB-OD1 3.5Å; D270-T272 HydrophobicContact CB-CG2 4.11Å; D270-T272 VanDerWaalsContact CG-CG2 3.43Å; D270-T272 VanDerWaalsContact CG-OG1 3.28Å; D270-T272 PolarHBondContact O-N 2.88Å; D270-T272 WeakPolarHBondContact OD1-CG2 3.43Å; D270-T272 PolarHBondContact OD1-OG1 3.2Å; D270-T272 PolarHBondContact OD2-OG1 2.98Å; D270-R294 IonicContact OD1-CZ 2.82Å; D270-R294 IonicContact OD1-NE 3.34Å; D270-R294 IonicContact OD1-NH2 2.76Å; D270-R294 PolarHBondContact OD1-NH2 2.68Å; D270-R294 IonicContact OD2-CZ 3.59Å; D270-R294 IonicContact OD2-NE 2.65Å; D270-R294 IonicContact OD2-NH2 2.66Å; D270-R294 PolarHBondContact OD2-NH2 2.99Å
271D91.6Very high91.7Very high42 Ų4244 Ų4423%0.22520%0.202CC..THydrogen-bonded Turntrans54.537.1179.7-56.7-43000112.2R234 Y266 Y267R234-D271 IonicContact NH1-OD2 3.03Å; R234-D271 PolarHBondContact NH1-OD2 3Å; Y266-D271 WeakPolarHBondContact OH-CB 3.44Å; Y266-D271 PolarHBondContact OH-OD1 3.33Å; Y267-D271 WeakPolarHBondContact O-CA 3.45Å; Y267-D271 PolarHBondContact O-N 3.04Å
272T94.1Very high91.4Very high11 Ų1150.8 Ų50.87%0.06724%0.237CC..EExtended strand (participates in β ladder)trans-100.1153.3-179.959.10000112Y266 Y267 D270 R294 Q295 R296Y266-T272 WeakPolarHBondContact CA-O 3.35Å; Y267-T272 WeakPolarHBondContact CD2-OG1 3.38Å; Y267-T272 PolarHBondContact N-O 3.12Å; Y267-T272 PolarHBondContact O-N 3.43Å; D270-T272 HydrophobicContact CB-CG2 4.11Å; D270-T272 VanDerWaalsContact CG-CG2 3.43Å; D270-T272 VanDerWaalsContact CG-OG1 3.28Å; D270-T272 PolarHBondContact O-N 2.88Å; D270-T272 WeakPolarHBondContact OD1-CG2 3.43Å; D270-T272 PolarHBondContact OD1-OG1 3.2Å; D270-T272 PolarHBondContact OD2-OG1 2.98Å; T272-R294 WeakPolarHBondContact OG1-CG 3.46Å; T272-R294 PolarHBondContact OG1-NE 3.09Å; T272-Q295 WeakPolarHBondContact CA-O 3.44Å; T272-R296 HydrophobicContact CG2-CG 3.63Å
273V95.4Very high90.8Very high1 Ų153.3 Ų53.31%0.00626%0.255CS..EExtended strand (participates in β ladder)trans-120.2133.9179.4-176.60000110I264 Y265 Y266 V275 R294 Q295 I297 F327 L335I264-V273 HydrophobicContact CG2-CG1 3.86Å; Y265-V273 CarbonylContact O-C 3.6Å; Y265-V273 VanDerWaalsContact O-CA 3.29Å; Y265-V273 WeakPolarHBondContact O-CA 3.37Å; Y266-V273 HydrophobicContact CD2-CG2 3.66Å; Y266-V273 HydrophobicContact CE2-CG2 4.02Å; V273-V275 HydrophobicContact CG1-CG2 4.09Å; V273-R294 WeakPolarHBondContact O-CA 3.25Å; V273-Q295 PolarHBondContact N-O 2.84Å; V273-Q295 PolarHBondContact O-N 2.81Å; V273-Q295 VanDerWaalsContact O-N 3.09Å; V273-I297 HydrophobicContact CB-CD1 3.69Å; V273-I297 HydrophobicContact CB-CG1 4.15Å; V273-I297 HydrophobicContact CG1-CD1 3.93Å; V273-I297 HydrophobicContact CG2-CD1 4.28Å; V273-F327 HydrophobicContact CG2-CZ 4.13Å; V273-L335 HydrophobicContact CG1-CD1 4.19Å
274D95Very high90.2Very high4 Ų455.7 Ų55.72%0.02129%0.288CS..EExtended strand (participates in β ladder)trans-124.1127.2173.2176.117.6000108.1Y265 Y267 R276 L290 R294Y265-D274 PolarHBondContact N-O 3.45Å; Y265-D274 PolarHBondContact O-N 3.49Å; Y267-D274 HydrophobicContact CE2-CB 3.65Å; Y267-D274 PolarHBondContact OH-OD2 3.03Å; D274-R276 IonicContact OD1-NE 3.91Å; D274-R276 IonicContact OD2-CZ 3Å; D274-R276 IonicContact OD2-NE 2.78Å; D274-R276 PolarHBondContact OD2-NE 3.25Å; D274-R276 IonicContact OD2-NH2 3.68Å; D274-R276 PolarHBondContact OD2-NH2 2.95Å; D274-L290 WeakPolarHBondContact OD1-CD2 3.34Å; D274-R294 HydrophobicContact CB-CB 4.04Å; D274-R294 HydrophobicContact CB-CG 4.43Å
275V95.4Very high89.4Confident0 Ų060.4 Ų60.40%031%0.306CS..EExtended strand (participates in β ladder)trans-116.7125.4-179.2-173.20000108.7V262 I264 V273 F291 I292 L335 F340V262-V275 HydrophobicContact CB-CG1 4.21Å; V262-V275 HydrophobicContact CG2-CG1 4.49Å; I264-V275 HydrophobicContact CG1-CB 4.45Å; I264-V275 HydrophobicContact CG1-CG1 3.87Å; I264-V275 HydrophobicContact CG1-CG2 4.03Å; I264-V275 HydrophobicContact CG2-CG2 4.3Å; V273-V275 HydrophobicContact CG1-CG2 4.09Å; V275-F291 HydrophobicContact CB-CB 4.34Å; V275-F291 HydrophobicContact CG1-CB 4.09Å; V275-F291 HydrophobicContact CG1-CD1 4.29Å; V275-F291 HydrophobicContact CG1-CG 4.5Å; V275-F291 WeakPolarHBondContact O-CA 3.48Å; V275-F291 WeakPolarHBondContact O-CB 3.46Å; V275-F291 PolarHBondContact O-N 3.41Å; V275-I292 HydrophobicContact CB-CB 3.95Å; V275-I292 HydrophobicContact CB-CD1 4.27Å; V275-I292 HydrophobicContact CB-CG1 4.46Å; V275-I292 HydrophobicContact CG2-CB 4.01Å; V275-I292 HydrophobicContact CG2-CD1 3.9Å; V275-I292 HydrophobicContact CG2-CG1 4.48Å; V275-I292 PolarHBondContact N-O 3.01Å; V275-I292 PolarHBondContact O-N 3.39Å; V275-L335 HydrophobicContact CG2-CD1 3.77Å; V275-F340 HydrophobicContact CG1-CE1 4.04Å; V275-F340 HydrophobicContact CG1-CZ 4.21Å
276R93.6Very high88.8Confident98 Ų9864.6 Ų64.637%0.3733%0.331SS..EExtended strand (participates in β ladder)trans-119.1139.5-177.6-60.7-165.3-171.2-171.51.1111.5V262 I263 Y265 D274 P289 L290V262-R276 CarbonylContact C-O 3.54Å; V262-R276 VanDerWaalsContact CA-O 3.28Å; V262-R276 WeakPolarHBondContact CA-O 3.3Å; V262-R276 WeakPolarHBondContact CB-O 3.39Å; I263-R276 PolarHBondContact N-O 2.86Å; I263-R276 PolarHBondContact O-N 2.66Å; Y265-R276 HydrophobicContact CD2-CG 4.3Å; Y265-R276 HydrophobicContact CE2-CB 4.34Å; Y265-R276 HydrophobicContact CE2-CG 3.99Å; D274-R276 IonicContact OD1-NE 3.91Å; D274-R276 IonicContact OD2-CZ 3Å; D274-R276 IonicContact OD2-NE 2.78Å; D274-R276 PolarHBondContact OD2-NE 3.25Å; D274-R276 IonicContact OD2-NH2 3.68Å; D274-R276 PolarHBondContact OD2-NH2 2.95Å; R276-P289 WeakPolarHBondContact CA-O 3.44Å; R276-P289 WeakPolarHBondContact CB-O 3.5Å; R276-L290 HydrophobicContact CG-CD2 4.46Å
277E90.8Very high88.2Confident44 Ų4469 Ų6921%0.20636%0.36CS..EExtended strand (participates in β ladder)trans-77.1130.5173.6-168.2170.6-176.700109.5H279 R285 P289E277-H279 PolarHBondContact O-N 3.31Å; E277-R285 IonicContact OE1-NH1 3.01Å; E277-R285 PolarHBondContact OE1-NH1 3.37Å; E277-P289 PolarHBondContact N-O 3.38Å
278A88.6Confident87.6Confident31 Ų3173.1 Ų73.126%0.25638%0.379SS..  trans-88.392.7174.800000109P261 I263 Q280P261-A278 HydrophobicContact CB-CB 4.02Å; P261-A278 HydrophobicContact CG-CB 4.11Å; P261-A278 WeakPolarHBondContact CG-O 3Å; P261-A278 WeakPolarHBondContact O-CB 3.41Å; P261-A278 PolarHBondContact O-N 2.62Å; I263-A278 HydrophobicContact CD1-CB 4.44Å; I263-A278 HydrophobicContact CG1-CB 4.29Å; A278-Q280 PolarHBondContact O-N 2.86Å
279H84Confident87.1Confident88 Ų8876.3 Ų76.341%0.40740%0.4SS..PPolyproline II helixtrans-65127.7-175.4-163.5-71.9000112.1E277 S283 R285E277-H279 PolarHBondContact O-N 3.31Å; H279-S283 PolarHBondContact CE1-OG 2.54Å; H279-S283 PolarHBondContact NE2-OG 2.98Å; H279-S283 VanDerWaalsContact NE2-OG 3.17Å; H279-R285 PolarHBondContact NE2-O 2.82Å
280Q83.1Confident87Confident124 Ų12478.4 Ų78.458%0.57941%0.411SS*.PPolyproline II helixtrans-95.6142.4174.6-67.1-177.3-8.800111P261 A278 N282 S283P261-Q280 HydrophobicContact CG-CG 4.26Å; A278-Q280 PolarHBondContact O-N 2.86Å; Q280-N282 PolarHBondContact O-N 3.17Å; Q280-S283 VanDerWaalsContact O-CB 3.31Å; Q280-S283 WeakPolarHBondContact O-CB 3.47Å; Q280-S283 PolarHBondContact O-N 2.74Å; Q280-S283 PolarHBondContact O-OG 2.88Å
281R84Confident87Confident239 Ų23978.4 Ų78.490%0.90241%0.408SS*.THydrogen-bonded Turntrans-55.9135.1175.4-66.9-175.7-179.3-169.90.3110.2S283R281-S283 VanDerWaalsContact C-N 3.28Å; R281-S283 PolarHBondContact O-N 3.36Å
282N82.6Confident87.1Confident168 Ų16876.9 Ų76.990%0.89840%0.4SS*.THydrogen-bonded Turntrans60.329.1-179.7-52.6-31.5000114.7Q280 G284Q280-N282 PolarHBondContact O-N 3.17Å; N282-G284 PolarHBondContact O-N 3.06Å
283S79.6Confident87Confident54 Ų5479.7 Ų79.738%0.37842%0.42SS..  trans-68.8-18.7176.368.60000114.5H279 Q280 R281 R285H279-S283 PolarHBondContact CE1-OG 2.54Å; H279-S283 PolarHBondContact NE2-OG 2.98Å; H279-S283 VanDerWaalsContact NE2-OG 3.17Å; Q280-S283 VanDerWaalsContact O-CB 3.31Å; Q280-S283 WeakPolarHBondContact O-CB 3.47Å; Q280-S283 PolarHBondContact O-N 2.74Å; Q280-S283 PolarHBondContact O-OG 2.88Å; R281-S283 VanDerWaalsContact C-N 3.28Å; R281-S283 PolarHBondContact O-N 3.36Å; S283-R285 PolarHBondContact O-N 3.15Å; S283-R285 PolarHBondContact OG-N 2.82Å
284G81.8Confident86.9Confident85 Ų8585.2 Ų85.288%0.87644%0.441SS*.  trans74.22.7-175.700000114.7N282N282-G284 PolarHBondContact O-N 3.06Å
285R78.4Confident86.8Confident100 Ų10088.7 Ų88.738%0.37746%0.457SS..SBendtrans-94148.2174.2-74-171.5162.4175.6-2.6112.1W260 E277 H279 S283W260-R285 VanDerWaalsContact CD1-NH1 3.26Å; W260-R285 VanDerWaalsContact NE1-CZ 3.33Å; W260-R285 VanDerWaalsContact NE1-NH1 3.17Å; E277-R285 IonicContact OE1-NH1 3.01Å; E277-R285 PolarHBondContact OE1-NH1 3.37Å; H279-R285 PolarHBondContact NE2-O 2.82Å; S283-R285 PolarHBondContact O-N 3.15Å; S283-R285 PolarHBondContact OG-N 2.82Å
286D83.8Confident86.6Confident135 Ų13593.5 Ų93.572%0.72248%0.475SS*.  trans-58.1129.1170-169.637.6000109.6F288D286-F288 PolarHBondContact O-N 3.11Å
287P82.3Confident86.5Confident94 Ų9489 Ų8961%0.6146%0.458SS*.  trans-73.677.3-177.830.3-37.6000111.8
288F82.2Confident86.5Confident125 Ų12588.3 Ų88.355%0.54846%0.457SS..  trans-99.7117.7170.7-165.6-106000110.3D286 L290D286-F288 PolarHBondContact O-N 3.11Å; F288-L290 HydrophobicContact CD1-CB 4.33Å; F288-L290 WeakPolarHBondContact CD1-O 3.42Å; F288-L290 HydrophobicContact CE1-CB 3.7Å; F288-L290 WeakPolarHBondContact CE1-O 3.47Å; F288-L290 HydrophobicContact CZ-CB 4.21Å
289P81.9Confident86.5Confident77 Ų7791 Ų9150%0.546%0.463SS..  trans-79-19.7-169.729.1-35000114.4R276 E277R276-P289 WeakPolarHBondContact CA-O 3.44Å; R276-P289 WeakPolarHBondContact CB-O 3.5Å; E277-P289 PolarHBondContact N-O 3.38Å
290L89.1Confident86.6Confident70 Ų7091.9 Ų91.937%0.36647%0.466SS..EExtended strand (participates in β ladder)trans-101.9124.2-172.9-70.2164.8000110.5D274 R276 F288D274-L290 WeakPolarHBondContact OD1-CD2 3.34Å; R276-L290 HydrophobicContact CG-CD2 4.46Å; F288-L290 HydrophobicContact CD1-CB 4.33Å; F288-L290 WeakPolarHBondContact CD1-O 3.42Å; F288-L290 HydrophobicContact CE1-CB 3.7Å; F288-L290 WeakPolarHBondContact CE1-O 3.47Å; F288-L290 HydrophobicContact CZ-CB 4.21Å
291F90.5Very high86.6Confident57 Ų5789.1 Ų89.125%0.2546%0.457CS..EExtended strand (participates in β ladder)trans-96.4-48.4170-170.4-86.6000110.6W249 V275 H338 F340W249-F291 AromaticContact CD2-CE2 3.98Å; W249-F291 HydrophobicContact CD2-CE2 3.98Å; W249-F291 AromaticContact CD2-CZ 3.9Å; W249-F291 HydrophobicContact CD2-CZ 3.9Å; W249-F291 AromaticContact CE3-CE2 3.67Å; W249-F291 HydrophobicContact CE3-CE2 3.67Å; W249-F291 HydrophobicContact CE3-CZ 4.06Å; W249-F291 HydrophobicContact CG-CZ 4.34Å; W249-F291 HydrophobicContact CZ3-CE2 4.06Å; W249-F291 HydrophobicContact CZ3-CZ 4.49Å; V275-F291 HydrophobicContact CB-CB 4.34Å; V275-F291 HydrophobicContact CG1-CB 4.09Å; V275-F291 HydrophobicContact CG1-CD1 4.29Å; V275-F291 HydrophobicContact CG1-CG 4.5Å; V275-F291 WeakPolarHBondContact O-CA 3.48Å; V275-F291 WeakPolarHBondContact O-CB 3.46Å; V275-F291 PolarHBondContact O-N 3.41Å; F291-H338 HydrophobicContact CE1-CB 4.31Å; F291-H338 AromaticContact CE1-CD2 3.91Å; F291-H338 AromaticContact CE1-CG 3.93Å; F291-F340 HydrophobicContact CD1-CE1 4.19Å; F291-F340 AromaticContact CD1-CZ 3.78Å; F291-F340 HydrophobicContact CD1-CZ 3.78Å; F291-F340 HydrophobicContact CE1-CE1 4.1Å; F291-F340 AromaticContact CE1-CZ 3.55Å; F291-F340 HydrophobicContact CE1-CZ 3.55Å; F291-F340 HydrophobicContact CZ-CZ 4.39Å
292I92.5Very high86.5Confident10 Ų1082.8 Ų82.85%0.05144%0.436CS..EExtended strand (participates in β ladder)trans-128.5125171.5-69.4156000107.6V275 I297 L335 L336 F340V275-I292 HydrophobicContact CB-CB 3.95Å; V275-I292 HydrophobicContact CB-CD1 4.27Å; V275-I292 HydrophobicContact CB-CG1 4.46Å; V275-I292 HydrophobicContact CG2-CB 4.01Å; V275-I292 HydrophobicContact CG2-CD1 3.9Å; V275-I292 HydrophobicContact CG2-CG1 4.48Å; V275-I292 PolarHBondContact N-O 3.01Å; V275-I292 PolarHBondContact O-N 3.39Å; I292-I297 HydrophobicContact CG2-CD1 4.32Å; I292-L335 HydrophobicContact CD1-CB 4.28Å; I292-L336 HydrophobicContact CD1-CD1 4.28Å; I292-L336 HydrophobicContact CG1-CD1 4.23Å; I292-L336 HydrophobicContact CG2-CD1 4.3Å; I292-F340 HydrophobicContact CD1-CE2 4.21Å; I292-F340 HydrophobicContact CD1-CZ 4.13Å
293S92.3Very high86Confident70 Ų7084.3 Ų84.349%0.4944%0.438SS..EExtended strand (participates in β ladder)trans-64.1151.7175.256.50000111.4Q295S293-Q295 WeakPolarHBondContact O-CG 3.46Å; S293-Q295 PolarHBondContact O-N 3.47Å
294R93.9Very high85.3Confident117 Ų11787.3 Ų87.344%0.44245%0.446SS..EExtended strand (participates in β ladder)trans-57.4110.4-179.9-175179.4177.7-166.9-2.7111.3Y267 D270 T272 V273 D274Y267-R294 HydrophobicContact CD2-CG 4.06Å; Y267-R294 HydrophobicContact CE2-CG 3.91Å; D270-R294 IonicContact OD1-CZ 2.82Å; D270-R294 IonicContact OD1-NE 3.34Å; D270-R294 IonicContact OD1-NH2 2.76Å; D270-R294 PolarHBondContact OD1-NH2 2.68Å; D270-R294 IonicContact OD2-CZ 3.59Å; D270-R294 IonicContact OD2-NE 2.65Å; D270-R294 IonicContact OD2-NH2 2.66Å; D270-R294 PolarHBondContact OD2-NH2 2.99Å; T272-R294 WeakPolarHBondContact OG1-CG 3.46Å; T272-R294 PolarHBondContact OG1-NE 3.09Å; V273-R294 WeakPolarHBondContact O-CA 3.25Å; D274-R294 HydrophobicContact CB-CB 4.04Å; D274-R294 HydrophobicContact CB-CG 4.43Å
295Q92.4Very high84.1Confident77 Ų7789.6 Ų89.636%0.3645%0.449SS..EExtended strand (participates in β ladder)trans-154.5163.4178.565.8-171.8-21.200112.1T272 V273 S293 I297T272-Q295 WeakPolarHBondContact CA-O 3.44Å; V273-Q295 PolarHBondContact N-O 2.84Å; V273-Q295 PolarHBondContact O-N 2.81Å; V273-Q295 VanDerWaalsContact O-N 3.09Å; S293-Q295 WeakPolarHBondContact O-CG 3.46Å; S293-Q295 PolarHBondContact O-N 3.47Å; Q295-I297 HydrophobicContact CG-CG1 4.19Å; Q295-I297 PolarHBondContact O-N 2.95Å
296R91.4Very high83.1Confident101 Ų10191.9 Ų91.938%0.38146%0.462SS..PPolyproline II helixtrans-78.3117.9171.1-65.2-177.869.3-1481.6108.1T272 Y321T272-R296 HydrophobicContact CG2-CG 3.63Å; R296-Y321 HydrophobicContact CB-CD1 3.82Å; R296-Y321 HydrophobicContact CB-CE1 3.81Å
297I92.1Very high81.9Confident2 Ų289.4 Ų89.41%0.0145%0.453CS..PPolyproline II helixtrans-92.5123.4-175.8-60.4-177.8000109.2V273 I292 Q295 I322 L335 L336V273-I297 HydrophobicContact CB-CD1 3.69Å; V273-I297 HydrophobicContact CB-CG1 4.15Å; V273-I297 HydrophobicContact CG1-CD1 3.93Å; V273-I297 HydrophobicContact CG2-CD1 4.28Å; I292-I297 HydrophobicContact CG2-CD1 4.32Å; Q295-I297 HydrophobicContact CG-CG1 4.19Å; Q295-I297 PolarHBondContact O-N 2.95Å; I297-I322 HydrophobicContact CB-CD1 3.89Å; I297-I322 HydrophobicContact CB-CG1 4.38Å; I297-I322 HydrophobicContact CG2-CD1 3.54Å; I297-I322 HydrophobicContact CG2-CG1 4.29Å; I297-I322 PolarHBondContact O-N 2.78Å; I297-I322 VanDerWaalsContact O-N 3.14Å; I297-L335 HydrophobicContact CD1-CB 4.08Å; I297-L335 HydrophobicContact CD1-CD2 4.25Å; I297-L336 HydrophobicContact CG2-CD2 4.07Å; I297-L336 HydrophobicContact CG2-CG 4.27Å
298P90.6Very high80.8Confident31 Ų3190.4 Ų90.420%0.20146%0.462CS..EExtended strand (participates in β ladder)trans-72.7135.2174.530-33.6000110.3V301 V318P298-V301 HydrophobicContact CB-CG2 3.75Å; P298-V301 HydrophobicContact CG-CG2 4.1Å; P298-V318 HydrophobicContact CB-CB 4.43Å; P298-V318 HydrophobicContact CB-CG1 3.62Å; P298-V318 HydrophobicContact CB-CG2 3.92Å
299K88.5Confident79.8Confident88 Ų8891.7 Ų91.738%0.38347%0.473SS..EExtended strand (participates in β ladder)trans-92.1-42.7174.6-176.3178.4169.4-171.40111.1E320 I322 D326K299-E320 WeakPolarHBondContact CA-O 3.44Å; K299-E320 HydrophobicContact CB-CB 4.46Å; K299-E320 VanDerWaalsContact CB-O 3.3Å; K299-E320 WeakPolarHBondContact CB-O 3.44Å; K299-E320 HydrophobicContact CD-CG 4.26Å; K299-E320 PolarHBondContact N-O 3.02Å; K299-E320 IonicContact NZ-OE1 3.98Å; K299-E320 PolarHBondContact NZ-OE1 3.48Å; K299-I322 HydrophobicContact CB-CG1 3.98Å; K299-D326 WeakPolarHBondContact CE-OD1 3.02Å; K299-D326 IonicContact NZ-OD1 2.71Å; K299-D326 PolarHBondContact NZ-OD1 2.87Å; K299-D326 IonicContact NZ-OD2 2.61Å
300K85.5Confident78.6Confident106 Ų10693 Ų9346%0.46148%0.479SS..EExtended strand (participates in β ladder)trans-132.8130.3175-68.1176.6-173.4153.30109.8E319 E320K300-E319 HydrophobicContact CB-CB 4.21Å; K300-E319 PolarHBondContact O-N 2.85Å; K300-E320 HydrophobicContact CB-CB 4.26Å; K300-E320 WeakPolarHBondContact CE-OE2 3.3Å; K300-E320 PolarHBondContact N-O 3.09Å; K300-E320 IonicContact NZ-OE2 2.77Å; K300-E320 PolarHBondContact NZ-OE2 3.36Å; K300-E320 PolarHBondContact O-N 3.45Å
301V84Confident77.2Confident66 Ų6697 Ų9740%0.450%0.498SS..EExtended strand (participates in β ladder)trans-117.7136.3178.6-174.60000107.4P298 I313 L317P298-V301 HydrophobicContact CB-CG2 3.75Å; P298-V301 HydrophobicContact CG-CG2 4.1Å; V301-I313 HydrophobicContact CG1-CG2 4.39Å; V301-L317 HydrophobicContact CG1-CB 4.42Å
302K80.6Confident76.1Confident106 Ų106103 Ų10346%0.46153%0.527SS..PPolyproline II helixtrans-65.5142175.4-64.9-178.2-174.91640110E304 L317 E319K302-E304 PolarHBondContact O-N 3.11Å; K302-L317 PolarHBondContact N-O 2.91Å; K302-E319 HydrophobicContact CD-CG 4.17Å; K302-E319 HydrophobicContact CG-CG 3.39Å; K302-E319 WeakPolarHBondContact CG-OE1 3.44Å
303E72.3Confident75Confident200 Ų200107.5 Ų107.594%0.93555%0.55SS**PPolyproline II helixtrans-73.8117.5171.8-65.8-174.4170.600109.5
304E65.1Low74.1Confident116 Ų116106.5 Ų106.554%0.54254%0.543SS..PPolyproline II helixtrans-93.3149.5172.3-70.9-155.7125.400112K302 F306 L317K302-E304 PolarHBondContact O-N 3.11Å; E304-F306 VanDerWaalsContact C-N 3.27Å; E304-F306 PolarHBondContact O-N 3.49Å; E304-L317 HydrophobicContact CG-CD1 4.26Å; E304-L317 HydrophobicContact CG-CD2 3.71Å; E304-L317 WeakPolarHBondContact OE1-CD2 3.35Å
305S57.1Low73Confident133 Ų133106.1 Ų106.193%0.9355%0.55SS*.SBendtrans-76.4-12173.2-177.40000113.3
306F57.2Low72.1Confident148 Ų148108.8 Ų108.865%0.64957%0.567SS**SBendtrans-100.6139.7-176.4-138.5-97.2000110.3E304 S308E304-F306 VanDerWaalsContact C-N 3.27Å; E304-F306 PolarHBondContact O-N 3.49Å; F306-S308 PolarHBondContact O-N 2.8Å
307P58.6Low71.4Confident83 Ų83105.4 Ų105.454%0.53956%0.556SS.*  trans-62.6126.4-177.522.6-32.5000111.4I309P307-I309 HydrophobicContact CB-CG2 4.29Å; P307-I309 PolarHBondContact O-N 3.19Å
308S59.3Low71Confident115 Ų115106.1 Ų106.180%0.80456%0.56SS**THydrogen-bonded Turntrans-57.70.5179.652.60000116F306 V310F306-S308 PolarHBondContact O-N 2.8Å; S308-V310 VanDerWaalsContact C-N 3.33Å; S308-V310 PolarHBondContact O-N 3.1Å
309I61.7Low70.6Confident153 Ų153110.5 Ų110.579%0.78558%0.578SS**THydrogen-bonded Turntrans-80.3-10.5-174.4-156.2159.9000113.7P307P307-I309 HydrophobicContact CB-CG2 4.29Å; P307-I309 PolarHBondContact O-N 3.19Å
310V56.4Low70.6Confident103 Ų103109.4 Ų109.462%0.62457%0.574SS**SBendtrans-108.2-21.6-168.7-173.20000113.8S308S308-V310 VanDerWaalsContact C-N 3.33Å; S308-V310 PolarHBondContact O-N 3.1Å
311M58.7Low70.9Confident156 Ų156106.6 Ų106.677%0.76856%0.561SS**SBendtrans-139.3141.6-171.2-66.8-87-78.100111.5
312E68.1Low71.3Confident182 Ų182103.9 Ų103.985%0.8554%0.544SS*.  trans-62.2149.3165.9-66.3-179.1170.900109.9S314E312-S314 PolarHBondContact O-N 2.88Å
313I70.4Confident71.9Confident105 Ų105100.5 Ų100.554%0.53853%0.534SS..  trans-62.2109.4178.5-58.9170000108.1V301 L317 V318V301-I313 HydrophobicContact CG1-CG2 4.39Å; I313-L317 HydrophobicContact CG2-CB 4.3Å; I313-V318 HydrophobicContact CG2-CG2 3.71Å
314S72.2Confident72.8Confident48 Ų4891.4 Ų91.434%0.33649%0.492SS..  trans-77.1154.917660.80000111.2E312 D316 L317E312-S314 PolarHBondContact O-N 2.88Å; S314-D316 PolarHBondContact O-N 2.85Å; S314-D316 VanDerWaalsContact O-N 3.09Å; S314-L317 WeakPolarHBondContact O-CB 3.49Å; S314-L317 PolarHBondContact O-N 2.8Å; S314-L317 WeakPolarHBondContact OG-CG 3.29Å
315D71.1Confident74Confident109 Ų10991.5 Ų91.558%0.58349%0.491SS*.G310 helixtrans-56.7-26.7179.7-76-9.3000112.5L317 V318 Y321D315-L317 VanDerWaalsContact C-N 3.27Å; D315-L317 PolarHBondContact O-N 3.38Å; D315-V318 PolarHBondContact O-N 2.97Å; D315-Y321 PolarHBondContact OD1-OH 3.14Å
316D73.7Confident75.6Confident134 Ų13487.1 Ų87.172%0.71746%0.457SS*.G310 helixtrans-70.7-21.5179.4-61.4-37.5000113.6S314S314-D316 PolarHBondContact O-N 2.85Å; S314-D316 VanDerWaalsContact O-N 3.09Å
317L76.9Confident77.2Confident30 Ų3080 Ų8016%0.15743%0.426CS..G310 helixtrans-89.2-16.4-179.4-57.6-180000112.9V301 K302 E304 I313 S314 D315V301-L317 HydrophobicContact CG1-CB 4.42Å; K302-L317 PolarHBondContact N-O 2.91Å; E304-L317 HydrophobicContact CG-CD1 4.26Å; E304-L317 HydrophobicContact CG-CD2 3.71Å; E304-L317 WeakPolarHBondContact OE1-CD2 3.35Å; I313-L317 HydrophobicContact CG2-CB 4.3Å; S314-L317 WeakPolarHBondContact O-CB 3.49Å; S314-L317 PolarHBondContact O-N 2.8Å; S314-L317 WeakPolarHBondContact OG-CG 3.29Å; D315-L317 VanDerWaalsContact C-N 3.27Å; D315-L317 PolarHBondContact O-N 3.38Å
318V82.3Confident78.7Confident16 Ų1678.9 Ų78.910%0.09741%0.413CS..EExtended strand (participates in β ladder)trans-88.4118.9179.6-174.50000109.2P298 I313 D315 Y321P298-V318 HydrophobicContact CB-CB 4.43Å; P298-V318 HydrophobicContact CB-CG1 3.62Å; P298-V318 HydrophobicContact CB-CG2 3.92Å; I313-V318 HydrophobicContact CG2-CG2 3.71Å; D315-V318 PolarHBondContact O-N 2.97Å; V318-Y321 HydrophobicContact CB-CD2 4.49Å; V318-Y321 HydrophobicContact CB-CE1 4.26Å; V318-Y321 HydrophobicContact CB-CE2 3.78Å; V318-Y321 HydrophobicContact CG1-CD1 4.02Å; V318-Y321 HydrophobicContact CG1-CD2 3.77Å; V318-Y321 HydrophobicContact CG1-CE1 3.82Å; V318-Y321 HydrophobicContact CG1-CE2 3.54Å; V318-Y321 HydrophobicContact CG1-CG 4.01Å; V318-Y321 HydrophobicContact CG2-CE1 4.22Å
319E82.8Confident80.2Confident124 Ų12474 Ų7458%0.57938%0.378SS*.EExtended strand (participates in β ladder)trans-78.6-43.8175.5-62.2-165.4145.800111.7K300 K302K300-E319 HydrophobicContact CB-CB 4.21Å; K300-E319 PolarHBondContact O-N 2.85Å; K302-E319 HydrophobicContact CD-CG 4.17Å; K302-E319 HydrophobicContact CG-CG 3.39Å; K302-E319 WeakPolarHBondContact CG-OE1 3.44Å
320E89.1Confident81.3Confident64 Ų6468.3 Ų68.330%0.29936%0.357SS..EExtended strand (participates in β ladder)trans-141.9124.6-170.5-162.6-177.1160.900108.4K299 K300K299-E320 WeakPolarHBondContact CA-O 3.44Å; K299-E320 HydrophobicContact CB-CB 4.46Å; K299-E320 VanDerWaalsContact CB-O 3.3Å; K299-E320 WeakPolarHBondContact CB-O 3.44Å; K299-E320 HydrophobicContact CD-CG 4.26Å; K299-E320 PolarHBondContact N-O 3.02Å; K299-E320 IonicContact NZ-OE1 3.98Å; K299-E320 PolarHBondContact NZ-OE1 3.48Å; K300-E320 HydrophobicContact CB-CB 4.26Å; K300-E320 WeakPolarHBondContact CE-OE2 3.3Å; K300-E320 PolarHBondContact N-O 3.09Å; K300-E320 IonicContact NZ-OE2 2.77Å; K300-E320 PolarHBondContact NZ-OE2 3.36Å; K300-E320 PolarHBondContact O-N 3.45Å
321Y91.4Very high82.8Confident48 Ų4868.2 Ų68.219%0.18835%0.35CS..EExtended strand (participates in β ladder)trans-92.4157.1169.3-70.6-89.2000110.2R296 D315 V318 S323R296-Y321 HydrophobicContact CB-CD1 3.82Å; R296-Y321 HydrophobicContact CB-CE1 3.81Å; D315-Y321 PolarHBondContact OD1-OH 3.14Å; V318-Y321 HydrophobicContact CB-CD2 4.49Å; V318-Y321 HydrophobicContact CB-CE1 4.26Å; V318-Y321 HydrophobicContact CB-CE2 3.78Å; V318-Y321 HydrophobicContact CG1-CD1 4.02Å; V318-Y321 HydrophobicContact CG1-CD2 3.77Å; V318-Y321 HydrophobicContact CG1-CE1 3.82Å; V318-Y321 HydrophobicContact CG1-CE2 3.54Å; V318-Y321 HydrophobicContact CG1-CG 4.01Å; V318-Y321 HydrophobicContact CG2-CE1 4.22Å; Y321-S323 PolarHBondContact O-N 2.98Å
322I92.4Very high84.3Confident9 Ų967.1 Ų67.15%0.04634%0.341CS..  trans-64.1129.6175.2-63.2-175000110.4Y266 I297 K299 D326 F327 L335Y266-I322 HydrophobicContact CE2-CG2 4.45Å; Y266-I322 PolarHBondContact OH-O 3.22Å; I297-I322 HydrophobicContact CB-CD1 3.89Å; I297-I322 HydrophobicContact CB-CG1 4.38Å; I297-I322 HydrophobicContact CG2-CD1 3.54Å; I297-I322 HydrophobicContact CG2-CG1 4.29Å; I297-I322 PolarHBondContact O-N 2.78Å; I297-I322 VanDerWaalsContact O-N 3.14Å; K299-I322 HydrophobicContact CB-CG1 3.98Å; I322-D326 HydrophobicContact CG2-CB 4.13Å; I322-F327 HydrophobicContact CG2-CD2 4.35Å; I322-F327 HydrophobicContact CG2-CE2 3.42Å; I322-F327 VanDerWaalsContact CG2-CE2 3.42Å; I322-F327 HydrophobicContact CG2-CZ 3.81Å; I322-L335 HydrophobicContact CD1-CD2 3.31Å
323S92.2Very high85.4Confident35 Ų3559.1 Ų59.125%0.24530%0.304CS..  trans-110.1165.6178.873.30000110.8Y321 K325 D326 F327Y321-S323 PolarHBondContact O-N 2.98Å; S323-K325 PolarHBondContact O-N 2.89Å; S323-K325 VanDerWaalsContact O-N 3.11Å; S323-K325 PolarHBondContact OG-N 2.99Å; S323-D326 PolarHBondContact N-OD2 2.8Å; S323-D326 WeakPolarHBondContact O-CB 3.4Å; S323-D326 PolarHBondContact O-N 2.79Å; S323-D326 PolarHBondContact OG-OD2 2.85Å; S323-F327 WeakPolarHBondContact O-CD2 3.48Å
324P91.8Very high86.4Confident9 Ų960.4 Ų60.46%0.05831%0.305CS..G310 helixtrans-56.7-28.2172.9-25.235.9000112.9L243 Y266 L268 D326 F327 Y352 Y353 Y357L243-P324 HydrophobicContact CD1-CB 4.05Å; L243-P324 HydrophobicContact CD1-CG 4.36Å; Y266-P324 HydrophobicContact CD1-CG 4.22Å; Y266-P324 HydrophobicContact CE1-CG 3.63Å; Y266-P324 WeakPolarHBondContact OH-CD 3.48Å; L268-P324 HydrophobicContact CD2-CG 4.1Å; P324-D326 PolarHBondContact O-N 2.88Å; P324-D326 VanDerWaalsContact O-N 3.15Å; P324-F327 PolarHBondContact O-N 3.36Å; P324-F327 VanDerWaalsContact O-N 3.17Å; P324-Y352 HydrophobicContact CB-CE1 4.44Å; P324-Y353 VanDerWaalsContact C-OH 3.31Å; P324-Y353 WeakPolarHBondContact O-CE1 3.45Å; P324-Y353 PolarHBondContact O-OH 3.01Å; P324-Y357 HydrophobicContact CB-CE2 4.04Å
325K90.6Very high87.3Confident117 Ų11758.1 Ų58.151%0.50929%0.289SS..G310 helixtrans-64.8-19.5179.6-61.2177.5177.5178.70113.1S323 F327 Y357 M360S323-K325 PolarHBondContact O-N 2.89Å; S323-K325 VanDerWaalsContact O-N 3.11Å; S323-K325 PolarHBondContact OG-N 2.99Å; K325-F327 VanDerWaalsContact C-N 3.31Å; K325-Y357 HydrophobicContact CD-CE1 4.07Å; K325-Y357 HydrophobicContact CG-CD1 4.18Å; K325-Y357 HydrophobicContact CG-CE1 3.72Å; K325-Y357 HydrophobicContact CG-CE2 4.44Å; K325-M360 HydrophobicContact CB-CE 4.39Å; K325-M360 WeakPolarHBondContact O-CE 3.44Å
326D90.6Very high88.1Confident41 Ų4156.5 Ų56.522%0.21928%0.28CS..G310 helixtrans-82.1-12.2-179.3-58.2-61.6000112.7K299 I322 S323 P324 I333K299-D326 WeakPolarHBondContact CE-OD1 3.02Å; K299-D326 IonicContact NZ-OD1 2.71Å; K299-D326 PolarHBondContact NZ-OD1 2.87Å; K299-D326 IonicContact NZ-OD2 2.61Å; I322-D326 HydrophobicContact CG2-CB 4.13Å; S323-D326 PolarHBondContact N-OD2 2.8Å; S323-D326 WeakPolarHBondContact O-CB 3.4Å; S323-D326 PolarHBondContact O-N 2.79Å; S323-D326 PolarHBondContact OG-OD2 2.85Å; P324-D326 PolarHBondContact O-N 2.88Å; P324-D326 VanDerWaalsContact O-N 3.15Å; D326-I333 HydrophobicContact CB-CD1 4.42Å
327F91.3Very high88.6Confident0 Ų054.3 Ų54.30%028%0.276CS..  trans-96.897.1178.4-63.5-93.4000110.3F245 I264 Y266 V273 I322 S323 P324 K325 I333 L335 L342 M362F245-F327 HydrophobicContact CD1-CB 4.49Å; F245-F327 AromaticContact CD2-CD1 3.99Å; F245-F327 HydrophobicContact CD2-CD1 3.99Å; F245-F327 HydrophobicContact CD2-CG 4.38Å; F245-F327 HydrophobicContact CE1-CB 3.88Å; F245-F327 HydrophobicContact CE2-CB 3.93Å; F245-F327 AromaticContact CE2-CD1 3.96Å; F245-F327 HydrophobicContact CE2-CD1 3.96Å; F245-F327 AromaticContact CE2-CG 3.89Å; F245-F327 HydrophobicContact CE2-CG 3.89Å; F245-F327 HydrophobicContact CZ-CB 3.56Å; F245-F327 HydrophobicContact CZ-CD1 4.44Å; F245-F327 HydrophobicContact CZ-CG 4.04Å; I264-F327 HydrophobicContact CG2-CE1 3.84Å; Y266-F327 HydrophobicContact CD2-CD2 4.22Å; Y266-F327 AromaticContact CD2-CE2 3.35Å; Y266-F327 HydrophobicContact CD2-CE2 3.35Å; Y266-F327 AromaticContact CD2-CZ 3.83Å; Y266-F327 HydrophobicContact CD2-CZ 3.83Å; Y266-F327 AromaticContact CE2-CE2 3.8Å; Y266-F327 HydrophobicContact CE2-CE2 3.8Å; Y266-F327 HydrophobicContact CG-CE2 4.28Å; V273-F327 HydrophobicContact CG2-CZ 4.13Å; I322-F327 HydrophobicContact CG2-CD2 4.35Å; I322-F327 HydrophobicContact CG2-CE2 3.42Å; I322-F327 VanDerWaalsContact CG2-CE2 3.42Å; I322-F327 HydrophobicContact CG2-CZ 3.81Å; S323-F327 WeakPolarHBondContact O-CD2 3.48Å; P324-F327 PolarHBondContact O-N 3.36Å; P324-F327 VanDerWaalsContact O-N 3.17Å; K325-F327 VanDerWaalsContact C-N 3.31Å; F327-I333 HydrophobicContact CD1-CD1 3.61Å; F327-I333 HydrophobicContact CD2-CD1 4.27Å; F327-I333 HydrophobicContact CE1-CD1 3.46Å; F327-I333 VanDerWaalsContact CE1-CD1 3.46Å; F327-I333 HydrophobicContact CE2-CD1 4.18Å; F327-I333 HydrophobicContact CG-CD1 4Å; F327-I333 HydrophobicContact CZ-CD1 3.77Å; F327-L335 HydrophobicContact CZ-CD2 4.42Å; F327-L342 HydrophobicContact CB-CD1 4.1Å; F327-L342 HydrophobicContact CD1-CD1 3.86Å; F327-L342 HydrophobicContact CG-CD1 4.46Å; F327-M362 WeakPolarHBondContact O-CE 3.44Å
328Q89.6Confident89.2Confident59 Ų5955.9 Ų55.928%0.27628%0.282SS..  trans-117.1134.1174.3-171.2170.11.200110.9Q331Q328-Q331 HydrophobicContact CB-CG 4.43Å; Q328-Q331 VanDerWaalsContact CD-NE2 3.3Å; Q328-Q331 PolarHBondContact O-N 3.03Å
329L90.4Very high89.6Confident13 Ų1358 Ų587%0.06829%0.29CS..THydrogen-bonded Turntrans-66.3140.8176.7-63.8-175.8000111.1F245 Q331 L342 C345 M362F245-L329 HydrophobicContact CD1-CD2 4.35Å; L329-Q331 VanDerWaalsContact C-N 3.29Å; L329-L342 HydrophobicContact CD2-CB 4.12Å; L329-C345 HydrophobicContact CD1-CB 4.32Å; L329-C345 HydrophobicContact CD2-CB 4.27Å; L329-M362 HydrophobicContact CB-SD 4.48Å; L329-M362 HydrophobicContact CD1-CB 4.32Å; L329-M362 HydrophobicContact CD1-SD 3.99Å; L329-M362 HydrophobicContact CG-SD 3.69Å
330G85.5Confident90Very high33 Ų3352 Ų5234%0.3426%0.263SS..THydrogen-bonded Turntrans82.1-0.9-175.700000114.9F341 L342G330-F341 WeakPolarHBondContact O-CE2 3.28Å; G330-L342 PolarHBondContact N-O 3.26Å
331Q88.1Confident90.1Very high100 Ų10051 Ų5147%0.46726%0.257SS..SBendtrans-108.6160.5176-65.6-174.611.100112.2Q328 L329 L342Q328-Q331 HydrophobicContact CB-CG 4.43Å; Q328-Q331 VanDerWaalsContact CD-NE2 3.3Å; Q328-Q331 PolarHBondContact O-N 3.03Å; L329-Q331 VanDerWaalsContact C-N 3.29Å; Q331-L342 PolarHBondContact O-N 2.99Å; Q331-L342 VanDerWaalsContact O-N 3.15Å
332K89.8Confident90.1Very high134 Ų13448.7 Ų48.758%0.58325%0.248SC*.EExtended strand (participates in β ladder)trans-92.9123.6172.1-65.8-178.2-177.8179.90109.2F340 F341K332-F340 CarbonylContact C-O 3.5Å; K332-F340 VanDerWaalsContact CA-O 3.28Å; K332-F340 WeakPolarHBondContact CA-O 3.44Å; K332-F341 HydrophobicContact CG-CB 4.33Å; K332-F341 HydrophobicContact CG-CD2 4.03Å
333I91.1Very high90.1Very high14 Ų1450.7 Ų50.77%0.07226%0.256CS..EExtended strand (participates in β ladder)trans-101.8135.4173.5-170.6170.6000110.2D326 F327 L335 H339 F340 L342D326-I333 HydrophobicContact CB-CD1 4.42Å; F327-I333 HydrophobicContact CD1-CD1 3.61Å; F327-I333 HydrophobicContact CD2-CD1 4.27Å; F327-I333 HydrophobicContact CE1-CD1 3.46Å; F327-I333 VanDerWaalsContact CE1-CD1 3.46Å; F327-I333 HydrophobicContact CE2-CD1 4.18Å; F327-I333 HydrophobicContact CG-CD1 4Å; F327-I333 HydrophobicContact CZ-CD1 3.77Å; I333-L335 HydrophobicContact CD1-CD2 3.8Å; I333-L335 HydrophobicContact CG1-CD2 3.97Å; I333-L335 HydrophobicContact CG1-CG 4.41Å; I333-L335 HydrophobicContact CG2-CG 4.41Å; I333-H339 WeakPolarHBondContact O-CA 3.33Å; I333-F340 HydrophobicContact CG2-CB 3.92Å; I333-F340 PolarHBondContact N-O 2.86Å; I333-F340 PolarHBondContact O-N 3.26Å; I333-L342 HydrophobicContact CG2-CD1 4.09Å; I333-L342 HydrophobicContact CG2-CD2 4.24Å; I333-L342 HydrophobicContact CG2-CG 4.08Å
334K91.3Very high90.1Very high132 Ų13251.3 Ų51.357%0.57426%0.256SS*.EExtended strand (participates in β ladder)trans-93116172.1-177.9180-178.5-178.10109L336 H338K334-L336 WeakPolarHBondContact CE-O 3.33Å; K334-H338 WeakPolarHBondContact CA-O 3.44Å
335L91.3Very high90.2Very high0 Ų051 Ų510%025%0.254CS..EExtended strand (participates in β ladder)trans-113.8118171.2-53.5176.3000107.6I264 V273 V275 I292 I297 I322 F327 I333 S337 H338 F340I264-L335 HydrophobicContact CD1-CD1 4.27Å; I264-L335 HydrophobicContact CG2-CD1 4.4Å; V273-L335 HydrophobicContact CG1-CD1 4.19Å; V275-L335 HydrophobicContact CG2-CD1 3.77Å; I292-L335 HydrophobicContact CD1-CB 4.28Å; I297-L335 HydrophobicContact CD1-CB 4.08Å; I297-L335 HydrophobicContact CD1-CD2 4.25Å; I322-L335 HydrophobicContact CD1-CD2 3.31Å; F327-L335 HydrophobicContact CZ-CD2 4.42Å; I333-L335 HydrophobicContact CD1-CD2 3.8Å; I333-L335 HydrophobicContact CG1-CD2 3.97Å; I333-L335 HydrophobicContact CG1-CG 4.41Å; I333-L335 HydrophobicContact CG2-CG 4.41Å; L335-S337 PolarHBondContact O-N 2.81Å; L335-S337 VanDerWaalsContact O-N 3.14Å; L335-H338 PolarHBondContact N-O 2.97Å; L335-H338 PolarHBondContact O-N 3.15Å; L335-F340 HydrophobicContact CB-CD2 4.06Å; L335-F340 HydrophobicContact CB-CE2 3.83Å; L335-F340 HydrophobicContact CD1-CD2 3.8Å; L335-F340 HydrophobicContact CD1-CE2 3.97Å; L335-F340 HydrophobicContact CG-CD2 3.9Å; L335-F340 HydrophobicContact CG-CE2 4.13Å
336L87Confident90.4Very high75 Ų7548 Ų4839%0.39324%0.243SC..THydrogen-bonded Turntrans55.6-112.7-170.2-55.1170.6000111I292 I297 K334I292-L336 HydrophobicContact CD1-CD1 4.28Å; I292-L336 HydrophobicContact CG1-CD1 4.23Å; I292-L336 HydrophobicContact CG2-CD1 4.3Å; I297-L336 HydrophobicContact CG2-CD2 4.07Å; I297-L336 HydrophobicContact CG2-CG 4.27Å; K334-L336 WeakPolarHBondContact CE-O 3.33Å
337S86.1Confident90.4Very high88 Ų8847.9 Ų47.962%0.61525%0.252SS*.THydrogen-bonded Turntrans-101.9-6.3177.148.80000113.9L335L335-S337 PolarHBondContact O-N 2.81Å; L335-S337 VanDerWaalsContact O-N 3.14Å
338H88.2Confident90.6Very high62 Ų6251.4 Ų51.429%0.28727%0.268SS..EExtended strand (participates in β ladder)trans-103.2150-172-60.9-79.5000112.3W249 F291 K334 L335 F340W249-H338 AromaticContact CE2-ND1 3.91Å; W249-H338 AromaticContact CZ2-ND1 3.97Å; W249-H338 AromaticContact NE1-ND1 3.6Å; F291-H338 HydrophobicContact CE1-CB 4.31Å; F291-H338 AromaticContact CE1-CD2 3.91Å; F291-H338 AromaticContact CE1-CG 3.93Å; K334-H338 WeakPolarHBondContact CA-O 3.44Å; L335-H338 PolarHBondContact N-O 2.97Å; L335-H338 PolarHBondContact O-N 3.15Å; H338-F340 HydrophobicContact CB-CE2 3.61Å; H338-F340 HydrophobicContact CB-CZ 3.77Å
339H90.5Very high90.7Very high60 Ų6048.6 Ų48.628%0.27825%0.254SS..EExtended strand (participates in β ladder)trans-110.9126.9179.9-67.45.5000110.7V250 I333V250-H339 PolarHBondContact N-O 2.86Å; I333-H339 WeakPolarHBondContact O-CA 3.33Å
340F91.2Very high90.8Very high0 Ų053.4 Ų53.40%027%0.272CS..EExtended strand (participates in β ladder)trans-119.9127.5-178.6-58.4-84.2000109.7Q248 W249 V262 I264 V275 F291 I292 K332 I333 L335 H338Q248-F340 CarbonylContact O-C 3.6Å; Q248-F340 WeakPolarHBondContact O-CA 3.46Å; W249-F340 HydrophobicContact CB-CD1 3.84Å; W249-F340 HydrophobicContact CB-CE1 3.75Å; W249-F340 AromaticContact CD1-CE1 3.81Å; W249-F340 HydrophobicContact CG-CD1 4.31Å; W249-F340 AromaticContact CG-CE1 3.93Å; W249-F340 HydrophobicContact CG-CE1 3.93Å; V262-F340 HydrophobicContact CG1-CE1 4.32Å; V262-F340 HydrophobicContact CG2-CD1 3.65Å; V262-F340 HydrophobicContact CG2-CE1 4.11Å; I264-F340 HydrophobicContact CD1-CB 3.94Å; I264-F340 HydrophobicContact CD1-CD1 4.48Å; I264-F340 HydrophobicContact CD1-CG 4.14Å; V275-F340 HydrophobicContact CG1-CE1 4.04Å; V275-F340 HydrophobicContact CG1-CZ 4.21Å; F291-F340 HydrophobicContact CD1-CE1 4.19Å; F291-F340 AromaticContact CD1-CZ 3.78Å; F291-F340 HydrophobicContact CD1-CZ 3.78Å; F291-F340 HydrophobicContact CE1-CE1 4.1Å; F291-F340 AromaticContact CE1-CZ 3.55Å; F291-F340 HydrophobicContact CE1-CZ 3.55Å; F291-F340 HydrophobicContact CZ-CZ 4.39Å; I292-F340 HydrophobicContact CD1-CE2 4.21Å; I292-F340 HydrophobicContact CD1-CZ 4.13Å; K332-F340 CarbonylContact C-O 3.5Å; K332-F340 VanDerWaalsContact CA-O 3.28Å; K332-F340 WeakPolarHBondContact CA-O 3.44Å; I333-F340 HydrophobicContact CG2-CB 3.92Å; I333-F340 PolarHBondContact N-O 2.86Å; I333-F340 PolarHBondContact O-N 3.26Å; L335-F340 HydrophobicContact CB-CD2 4.06Å; L335-F340 HydrophobicContact CB-CE2 3.83Å; L335-F340 HydrophobicContact CD1-CD2 3.8Å; L335-F340 HydrophobicContact CD1-CE2 3.97Å; L335-F340 HydrophobicContact CG-CD2 3.9Å; L335-F340 HydrophobicContact CG-CE2 4.13Å; H338-F340 HydrophobicContact CB-CE2 3.61Å; H338-F340 HydrophobicContact CB-CZ 3.77Å
341F91.3Very high91.1Very high42 Ų4258.1 Ų58.118%0.18429%0.285CS..EExtended strand (participates in β ladder)trans-90.9118172.7178.2-105.1000109.6G247 Q248 V250 G330 K332 V365G247-F341 CarbonylContact C-O 3.45Å; G247-F341 WeakPolarHBondContact CA-O 3.37Å; Q248-F341 PolarHBondContact N-O 2.8Å; Q248-F341 PolarHBondContact O-N 3.38Å; V250-F341 HydrophobicContact CG2-CB 4.03Å; G330-F341 WeakPolarHBondContact O-CE2 3.28Å; K332-F341 HydrophobicContact CG-CB 4.33Å; K332-F341 HydrophobicContact CG-CD2 4.03Å; F341-V365 HydrophobicContact CZ-CG1 4.25Å
342L92.7Very high91.3Very high0 Ų055.3 Ų55.30%027%0.27CS..EExtended strand (participates in β ladder)trans-89.9126179.9-56.1177.8000109.7F245 I264 F327 L329 G330 Q331 I333F245-L342 HydrophobicContact CB-CD2 4.06Å; I264-L342 HydrophobicContact CD1-CD2 3.52Å; F327-L342 HydrophobicContact CB-CD1 4.1Å; F327-L342 HydrophobicContact CD1-CD1 3.86Å; F327-L342 HydrophobicContact CG-CD1 4.46Å; L329-L342 HydrophobicContact CD2-CB 4.12Å; G330-L342 PolarHBondContact N-O 3.26Å; Q331-L342 PolarHBondContact O-N 2.99Å; Q331-L342 VanDerWaalsContact O-N 3.15Å; I333-L342 HydrophobicContact CG2-CD1 4.09Å; I333-L342 HydrophobicContact CG2-CD2 4.24Å; I333-L342 HydrophobicContact CG2-CG 4.08Å
343Y91.7Very high91.5Very high51 Ų5149 Ų4920%0.224%0.243CC..EExtended strand (participates in β ladder)trans-120.4-26.1-177.466.2-95.8000113.9Y246 G247 Q248 A364 V365 I367Y246-Y343 WeakPolarHBondContact O-CD1 3.38Å; Y246-Y343 PolarHBondContact O-N 3.49Å; G247-Y343 WeakPolarHBondContact O-CE1 3.44Å; Q248-Y343 HydrophobicContact CG-CD1 4.16Å; Q248-Y343 HydrophobicContact CG-CE1 3.99Å; Y343-A364 CarbonylContact O-C 3.6Å; Y343-A364 WeakPolarHBondContact O-CA 3.5Å; Y343-V365 PolarHBondContact O-N 3.36Å; Y343-I367 HydrophobicContact CD1-CD1 3.26Å; Y343-I367 HydrophobicContact CD1-CG1 4.08Å; Y343-I367 HydrophobicContact CD2-CD1 3.6Å; Y343-I367 HydrophobicContact CD2-CG1 4.13Å; Y343-I367 HydrophobicContact CE1-CD1 3.42Å; Y343-I367 VanDerWaalsContact CE1-CD1 3.42Å; Y343-I367 HydrophobicContact CE2-CD1 3.78Å; Y343-I367 HydrophobicContact CG-CD1 3.34Å; Y343-I367 HydrophobicContact CG-CG1 3.78Å
344D92.8Very high91.5Very high47 Ų4755.2 Ų55.225%0.25127%0.272SS..EExtended strand (participates in β ladder)trans-147.5165.4178.6-167.218.6000111.6Y246 R350 A364Y246-D344 HydrophobicContact CD2-CB 4.11Å; Y246-D344 PolarHBondContact N-O 2.82Å; Y246-D344 PolarHBondContact O-N 3.19Å; D344-R350 IonicContact OD1-NH2 3.77Å; D344-A364 HydrophobicContact CB-CB 4.46Å
345C93.1Very high91.5Very high4 Ų457.2 Ų57.23%0.02728%0.28CS..EExtended strand (participates in β ladder)trans-142.1160.9177.370.50000112.1R244 F245 L329 T349R244-C345 WeakPolarHBondContact O-CA 3.39Å; F245-C345 HydrophobicContact CD1-CB 3.89Å; F245-C345 HydrophobicContact CE1-CB 4.3Å; L329-C345 HydrophobicContact CD1-CB 4.32Å; L329-C345 HydrophobicContact CD2-CB 4.27Å; C345-T349 HydrophobicContact CB-CG2 3.97Å
346D93.9Very high91.4Very high52 Ų5260.6 Ų60.628%0.27830%0.299SS..  trans-71.9158.9178.9-164.925.1000113.4R244 F348 T349 R350R244-D346 HydrophobicContact CB-CB 3.93Å; R244-D346 HydrophobicContact CG-CB 4.48Å; R244-D346 IonicContact CZ-OD1 3.79Å; R244-D346 IonicContact CZ-OD2 3.1Å; R244-D346 IonicContact NE-OD2 3.46Å; R244-D346 PolarHBondContact NE-OD2 3.4Å; R244-D346 IonicContact NH2-OD1 3.91Å; R244-D346 PolarHBondContact NH2-OD1 2.82Å; R244-D346 IonicContact NH2-OD2 2.69Å; R244-D346 PolarHBondContact NH2-OD2 3.03Å; R244-D346 VanDerWaalsContact NH2-OD2 3.11Å; R244-D346 PolarHBondContact O-N 2.92Å; D346-F348 PolarHBondContact O-N 2.8Å; D346-T349 WeakPolarHBondContact O-CA 3.39Å; D346-T349 WeakPolarHBondContact O-CB 3.2Å; D346-T349 PolarHBondContact O-N 3.35Å; D346-R350 PolarHBondContact O-N 3.01Å
347G92.6Very high91.6Very high39 Ų3959.9 Ų59.940%0.40229%0.291SS..Hα-helixtrans-55.7-47.2-179.700000113T349 R350 E351G347-T349 VanDerWaalsContact C-N 3.27Å; G347-T349 PolarHBondContact O-N 2.78Å; G347-R350 WeakPolarHBondContact O-CB 3.47Å; G347-R350 PolarHBondContact O-N 3.14Å; G347-E351 PolarHBondContact O-N 2.82Å; G347-E351 VanDerWaalsContact O-N 3.12Å
348F93.6Very high91.5Very high74 Ų7460.1 Ų60.133%0.32529%0.29SS..Hα-helixtrans-58.5-39.7175172.9-101.3000112.5Q241 V242 L243 D346 E351 Y352Q241-F348 HydrophobicContact CB-CE1 4.18Å; Q241-F348 HydrophobicContact CB-CZ 3.76Å; Q241-F348 HydrophobicContact CG-CZ 3.91Å; V242-F348 WeakPolarHBondContact O-CD1 3.5Å; L243-F348 HydrophobicContact CD2-CD1 4.47Å; L243-F348 HydrophobicContact CD2-CE1 4.08Å; D346-F348 PolarHBondContact O-N 2.8Å; F348-E351 PolarHBondContact O-N 3.31Å; F348-Y352 WeakPolarHBondContact O-CB 3.48Å; F348-Y352 PolarHBondContact O-N 2.82Å
349T93.2Very high91.4Very high0 Ų065 Ų650%032%0.318CS..Hα-helixtrans-65.7-43.7-179.9-56.50000109.8L243 R244 F245 C345 D346 G347 E351 Y352 Y353L243-T349 WeakPolarHBondContact CA-OG1 3.28Å; L243-T349 HydrophobicContact CB-CG2 3.93Å; L243-T349 HydrophobicContact CD2-CG2 4.13Å; R244-T349 PolarHBondContact N-OG1 2.81Å; R244-T349 PolarHBondContact O-OG1 3Å; F245-T349 HydrophobicContact CD1-CG2 4.32Å; F245-T349 HydrophobicContact CE1-CG2 3.65Å; F245-T349 HydrophobicContact CE2-CG2 4.38Å; F245-T349 HydrophobicContact CZ-CG2 3.68Å; C345-T349 HydrophobicContact CB-CG2 3.97Å; D346-T349 WeakPolarHBondContact O-CA 3.39Å; D346-T349 WeakPolarHBondContact O-CB 3.2Å; D346-T349 PolarHBondContact O-N 3.35Å; G347-T349 VanDerWaalsContact C-N 3.27Å; G347-T349 PolarHBondContact O-N 2.78Å; T349-E351 PolarHBondContact O-N 3.36Å; T349-Y352 PolarHBondContact O-N 3.25Å; T349-Y353 HydrophobicContact CG2-CD2 3.91Å; T349-Y353 HydrophobicContact CG2-CE2 3.78Å; T349-Y353 VanDerWaalsContact O-CD2 3.3Å; T349-Y353 WeakPolarHBondContact O-CD2 3.18Å; T349-Y353 PolarHBondContact O-N 3.39Å
350R91.9Very high91Very high115 Ų11564.4 Ų64.443%0.43432%0.316SS..Hα-helixtrans-58.3-45.6176.7-165177.7-62.21693112.3D344 D346 G347 Y353 Q354 M362D344-R350 IonicContact OD1-NH2 3.77Å; D346-R350 PolarHBondContact O-N 3.01Å; G347-R350 WeakPolarHBondContact O-CB 3.47Å; G347-R350 PolarHBondContact O-N 3.14Å; R350-Y353 PolarHBondContact O-N 3.47Å; R350-Q354 WeakPolarHBondContact O-CB 3.5Å; R350-Q354 PolarHBondContact O-N 2.84Å; R350-M362 HydrophobicContact CG-CB 4.46Å
351E92.4Very high90.4Very high131 Ų13168.6 Ų68.661%0.61234%0.339SS*.Hα-helixtrans-63.5-41.8176.7-69.1175.7-170.900112.3G347 F348 T349 Y353 Q354 K355G347-E351 PolarHBondContact O-N 2.82Å; G347-E351 VanDerWaalsContact O-N 3.12Å; F348-E351 PolarHBondContact O-N 3.31Å; T349-E351 PolarHBondContact O-N 3.36Å; E351-Y353 PolarHBondContact O-N 2.91Å; E351-Q354 PolarHBondContact O-N 2.99Å; E351-K355 WeakPolarHBondContact O-CB 3.36Å; E351-K355 PolarHBondContact O-N 3.31Å
352Y92.4Very high90Very high42 Ų4267.4 Ų67.417%0.16533%0.334CS..Hα-helixtrans-60.3-46177.6176-88.2000112.2L243 L268 P324 F348 T349 K355 N356 Y357L243-Y352 HydrophobicContact CD1-CD1 4.03Å; L243-Y352 HydrophobicContact CD1-CE1 3.91Å; L243-Y352 HydrophobicContact CD2-CD1 3.5Å; L243-Y352 HydrophobicContact CD2-CD2 4.19Å; L243-Y352 HydrophobicContact CD2-CE1 4.11Å; L243-Y352 HydrophobicContact CD2-CG 3.56Å; L243-Y352 HydrophobicContact CG-CD1 4.4Å; L268-Y352 HydrophobicContact CD1-CD2 3.79Å; L268-Y352 HydrophobicContact CD1-CE2 3.37Å; L268-Y352 HydrophobicContact CD2-CE1 4.24Å; L268-Y352 HydrophobicContact CD2-CE2 4.06Å; L268-Y352 WeakPolarHBondContact CD2-OH 3.38Å; L268-Y352 HydrophobicContact CG-CE2 4.37Å; P324-Y352 HydrophobicContact CB-CE1 4.44Å; F348-Y352 WeakPolarHBondContact O-CB 3.48Å; F348-Y352 PolarHBondContact O-N 2.82Å; T349-Y352 PolarHBondContact O-N 3.25Å; Y352-K355 PolarHBondContact O-N 3.17Å; Y352-N356 WeakPolarHBondContact CD2-ND2 3.37Å; Y352-N356 HydrophobicContact CE1-CB 4.48Å; Y352-N356 WeakPolarHBondContact CE2-ND2 3.15Å; Y352-N356 WeakPolarHBondContact O-CB 3.24Å; Y352-N356 PolarHBondContact O-N 3.43Å; Y352-N356 PolarHBondContact O-ND2 3.18Å; Y352-Y357 HydrophobicContact CE1-CD2 4.4Å; Y352-Y357 HydrophobicContact CE1-CE2 4.11Å
353Y92.3Very high89.5Confident0 Ų074 Ų740%036%0.363CS..Hα-helixtrans-68.8-39177.7-83.2-95.8000111.8L243 F245 P324 T349 R350 E351 K355 N356 Y357 M360 M362L243-Y353 HydrophobicContact CD1-CE2 3.9Å; F245-Y353 HydrophobicContact CE1-CE2 4.14Å; F245-Y353 AromaticContact CZ-CE2 3.74Å; F245-Y353 HydrophobicContact CZ-CE2 3.74Å; F245-Y353 AromaticContact CZ-CZ 3.97Å; F245-Y353 WeakPolarHBondContact CZ-OH 3Å; P324-Y353 VanDerWaalsContact C-OH 3.31Å; P324-Y353 WeakPolarHBondContact O-CE1 3.45Å; P324-Y353 PolarHBondContact O-OH 3.01Å; T349-Y353 HydrophobicContact CG2-CD2 3.91Å; T349-Y353 HydrophobicContact CG2-CE2 3.78Å; T349-Y353 VanDerWaalsContact O-CD2 3.3Å; T349-Y353 WeakPolarHBondContact O-CD2 3.18Å; T349-Y353 PolarHBondContact O-N 3.39Å; R350-Y353 PolarHBondContact O-N 3.47Å; E351-Y353 PolarHBondContact O-N 2.91Å; Y353-K355 PolarHBondContact O-N 3.38Å; Y353-N356 PolarHBondContact O-N 3.33Å; Y353-Y357 AromaticContact CD1-CD2 3.86Å; Y353-Y357 HydrophobicContact CD1-CD2 3.86Å; Y353-Y357 HydrophobicContact CD1-CG 4.36Å; Y353-Y357 HydrophobicContact CE1-CD2 4.04Å; Y353-Y357 CarbonylContact O-C 3.6Å; Y353-Y357 VanDerWaalsContact O-CA 3.25Å; Y353-Y357 WeakPolarHBondContact O-CA 3.44Å; Y353-Y357 PolarHBondContact O-N 3.06Å; Y353-M360 HydrophobicContact CD1-CB 4.45Å; Y353-M360 HydrophobicContact CD1-SD 4.24Å; Y353-M360 HydrophobicContact CE1-SD 4.1Å; Y353-M362 HydrophobicContact CD1-CE 3.15Å; Y353-M362 HydrophobicContact CD2-CE 3.62Å; Y353-M362 HydrophobicContact CE1-CE 3.27Å; Y353-M362 HydrophobicContact CE2-CE 3.74Å; Y353-M362 HydrophobicContact CG-CE 3.33Å; Y353-M362 HydrophobicContact CG-CG 4.17Å; Y353-M362 HydrophobicContact CG-SD 4.5Å
354Q91.3Very high89.2Confident146 Ų14674.3 Ų74.368%0.68238%0.376SS*.Hα-helixtrans-60.4-34.7176-168.5172.920.300112.5R350 E351R350-Q354 WeakPolarHBondContact O-CB 3.5Å; R350-Q354 PolarHBondContact O-N 2.84Å; E351-Q354 PolarHBondContact O-N 2.99Å
355K91.9Very high88.8Confident174 Ų17474.8 Ų74.876%0.75738%0.381SS*.Hα-helixtrans-79.2-44.7178.6-176.4176.9177.7-1790113.6E351 Y352 Y353E351-K355 WeakPolarHBondContact O-CB 3.36Å; E351-K355 PolarHBondContact O-N 3.31Å; Y352-K355 PolarHBondContact O-N 3.17Å; Y353-K355 PolarHBondContact O-N 3.38Å
356N90Very high88Confident71 Ų7183.5 Ų83.538%0.3842%0.421SS..Hα-helixtrans-100.2-25-169.6-63.3-39.6000113.8Y352 Y353Y352-N356 WeakPolarHBondContact CD2-ND2 3.37Å; Y352-N356 HydrophobicContact CE1-CB 4.48Å; Y352-N356 WeakPolarHBondContact CE2-ND2 3.15Å; Y352-N356 WeakPolarHBondContact O-CB 3.24Å; Y352-N356 PolarHBondContact O-N 3.43Å; Y352-N356 PolarHBondContact O-ND2 3.18Å; Y353-N356 PolarHBondContact O-N 3.33Å
357Y90.1Very high87Confident60 Ų6083.3 Ų83.324%0.23542%0.419CS..  trans-139.763.2-176.8-58.2-62000111P324 K325 Y352 Y353 D359 M360P324-Y357 HydrophobicContact CB-CE2 4.04Å; K325-Y357 HydrophobicContact CD-CE1 4.07Å; K325-Y357 HydrophobicContact CG-CD1 4.18Å; K325-Y357 HydrophobicContact CG-CE1 3.72Å; K325-Y357 HydrophobicContact CG-CE2 4.44Å; Y352-Y357 HydrophobicContact CE1-CD2 4.4Å; Y352-Y357 HydrophobicContact CE1-CE2 4.11Å; Y353-Y357 AromaticContact CD1-CD2 3.86Å; Y353-Y357 HydrophobicContact CD1-CD2 3.86Å; Y353-Y357 HydrophobicContact CD1-CG 4.36Å; Y353-Y357 HydrophobicContact CE1-CD2 4.04Å; Y353-Y357 CarbonylContact O-C 3.6Å; Y353-Y357 VanDerWaalsContact O-CA 3.25Å; Y353-Y357 WeakPolarHBondContact O-CA 3.44Å; Y353-Y357 PolarHBondContact O-N 3.06Å; Y357-D359 PolarHBondContact O-N 2.94Å; Y357-D359 VanDerWaalsContact O-N 3.09Å; Y357-M360 PolarHBondContact O-N 3.47Å
358P84.2Confident85.7Confident92 Ų9287 Ų8760%0.59744%0.436SS*.THydrogen-bonded Turntrans-62.2-20.6-174.625.9-35.2000113.8M360P358-M360 PolarHBondContact O-N 3.03Å
359D85.7Confident84.1Confident164 Ų16492.6 Ų92.688%0.87746%0.46SS*.THydrogen-bonded Turntrans-74.6-12.2178.3-54.1-38.3000113.2Y357Y357-D359 PolarHBondContact O-N 2.94Å; Y357-D359 VanDerWaalsContact O-N 3.09Å
360M83.3Confident82.5Confident48 Ų48100.3 Ų100.324%0.23650%0.498CS..SBendtrans-95.2115.6179.7-77-172.8149.400111.8K325 Y353 Y357 P358 M362K325-M360 HydrophobicContact CB-CE 4.39Å; K325-M360 WeakPolarHBondContact O-CE 3.44Å; Y353-M360 HydrophobicContact CD1-CB 4.45Å; Y353-M360 HydrophobicContact CD1-SD 4.24Å; Y353-M360 HydrophobicContact CE1-SD 4.1Å; Y357-M360 PolarHBondContact O-N 3.47Å; P358-M360 PolarHBondContact O-N 3.03Å; M360-M362 PolarHBondContact O-N 2.85Å
361D78.4Confident80.6Confident88 Ų88103.3 Ų103.347%0.47152%0.517SS..  trans-77.7113.9178.1-158-0.1000111K363D361-K363 PolarHBondContact O-N 3.42Å; D361-K363 WeakPolarHBondContact OD1-CE 3.31Å; D361-K363 WeakPolarHBondContact OD1-CG 3.02Å; D361-K363 IonicContact OD1-NZ 3.32Å; D361-K363 WeakPolarHBondContact OD2-CD 3.05Å; D361-K363 VanDerWaalsContact OD2-CE 3.25Å; D361-K363 WeakPolarHBondContact OD2-CE 3.4Å; D361-K363 IonicContact OD2-NZ 3.28Å; D361-K363 PolarHBondContact OD2-NZ 3.09Å
362M82.8Confident79Confident17 Ų17104.6 Ų104.68%0.08453%0.528CS..  trans-100.156.1-179.3-73-65.217900111.6F327 L329 R350 Y353 M360F327-M362 WeakPolarHBondContact O-CE 3.44Å; L329-M362 HydrophobicContact CB-SD 4.48Å; L329-M362 HydrophobicContact CD1-CB 4.32Å; L329-M362 HydrophobicContact CD1-SD 3.99Å; L329-M362 HydrophobicContact CG-SD 3.69Å; R350-M362 HydrophobicContact CG-CB 4.46Å; Y353-M362 HydrophobicContact CD1-CE 3.15Å; Y353-M362 HydrophobicContact CD2-CE 3.62Å; Y353-M362 HydrophobicContact CE1-CE 3.27Å; Y353-M362 HydrophobicContact CE2-CE 3.74Å; Y353-M362 HydrophobicContact CG-CE 3.33Å; Y353-M362 HydrophobicContact CG-CG 4.17Å; Y353-M362 HydrophobicContact CG-SD 4.5Å; M360-M362 PolarHBondContact O-N 2.85Å
363K81.9Confident77.3Confident138 Ų138112.3 Ų112.360%0.656%0.563SS**  trans-87.6132.2174.2-76.1169.7-171.71510111D361D361-K363 PolarHBondContact O-N 3.42Å; D361-K363 WeakPolarHBondContact OD1-CE 3.31Å; D361-K363 WeakPolarHBondContact OD1-CG 3.02Å; D361-K363 IonicContact OD1-NZ 3.32Å; D361-K363 WeakPolarHBondContact OD2-CD 3.05Å; D361-K363 VanDerWaalsContact OD2-CE 3.25Å; D361-K363 WeakPolarHBondContact OD2-CE 3.4Å; D361-K363 IonicContact OD2-NZ 3.28Å; D361-K363 PolarHBondContact OD2-NZ 3.09Å
364A84.8Confident75.6Confident58 Ų58117.3 Ų117.348%0.47960%0.598SS.*  trans-64.3139.6173.800000110.5Y343 D344Y343-A364 CarbonylContact O-C 3.6Å; Y343-A364 WeakPolarHBondContact O-CA 3.5Å; D344-A364 HydrophobicContact CB-CB 4.46Å
365V85.5Confident74.2Confident58 Ų58120 Ų12035%0.35261%0.607SS.*  trans-105.6127.5178.2-179.60000108.9F341 Y343 I367F341-V365 HydrophobicContact CZ-CG1 4.25Å; Y343-V365 PolarHBondContact O-N 3.36Å; V365-I367 PolarHBondContact O-N 3.36Å
366E76.9Confident72.8Confident187 Ų187121 Ų12187%0.87461%0.611SS**  trans-71.1121.5174.8-65.8-171.1173.200110.2
367I72.6Confident71.7Confident48 Ų48121.9 Ų121.925%0.24663%0.629CS.*  trans-81.5131.2172.6-54.5165.4000107.8Q248 Y343 V365 K369Q248-I367 HydrophobicContact CG-CD1 4.13Å; Y343-I367 HydrophobicContact CD1-CD1 3.26Å; Y343-I367 HydrophobicContact CD1-CG1 4.08Å; Y343-I367 HydrophobicContact CD2-CD1 3.6Å; Y343-I367 HydrophobicContact CD2-CG1 4.13Å; Y343-I367 HydrophobicContact CE1-CD1 3.42Å; Y343-I367 VanDerWaalsContact CE1-CD1 3.42Å; Y343-I367 HydrophobicContact CE2-CD1 3.78Å; Y343-I367 HydrophobicContact CG-CD1 3.34Å; Y343-I367 HydrophobicContact CG-CG1 3.78Å; V365-I367 PolarHBondContact O-N 3.36Å; I367-K369 PolarHBondContact O-N 3.13Å
368P63.7Low70.8Confident116 Ų116127.9 Ų127.975%0.75366%0.659SS**  trans-60112.5170.716.2-19.5000109M370P368-M370 PolarHBondContact O-N 3.31Å
369K60.7Low70.6Confident191 Ų191130 Ų13083%0.8367%0.67SS**  trans-60.3128.4171.7-67.3179.5-178.4174.10107I367 E371I367-K369 PolarHBondContact O-N 3.13Å; K369-E371 PolarHBondContact O-N 2.92Å
370M58.7Low70.5Confident162 Ų162126.3 Ų126.380%0.79865%0.649SS**  trans-58.3110.9165.8-82.9-163.8153.700106.7P368 D372P368-M370 PolarHBondContact O-N 3.31Å; M370-D372 PolarHBondContact O-N 2.65Å; M370-D372 VanDerWaalsContact O-N 3.13Å
371E53.4Low70.6Confident179 Ų179127.8 Ų127.884%0.83666%0.662SS**  trans-56.9121.7177.9-66-177.1166.900107.8K369 K373K369-E371 PolarHBondContact O-N 2.92Å; E371-K373 PolarHBondContact O-N 3.34Å
372D57.5Low71Confident157 Ų157128.5 Ų128.584%0.8467%0.672SS**  trans-50.1113.3166.3-82.1-38.1000105.9M370 S374M370-D372 PolarHBondContact O-N 2.65Å; M370-D372 VanDerWaalsContact O-N 3.13Å; D372-S374 VanDerWaalsContact C-N 3.26Å; D372-S374 WeakPolarHBondContact O-CA 3.45Å; D372-S374 PolarHBondContact O-N 3.34Å
373K56.8Low71.2Confident205 Ų205130.3 Ų130.389%0.89168%0.678SS**  trans-49.799178.6-70.5176.9-178.7174.10106.5E371 K375E371-K373 PolarHBondContact O-N 3.34Å; K373-K375 PolarHBondContact O-N 3.09Å
374S57.2Low71.4Confident105 Ų105128.7 Ų128.773%0.73468%0.676SS**PPolyproline II helixtrans-54119.6-171.760.10000105.6D372 K376D372-S374 VanDerWaalsContact C-N 3.26Å; D372-S374 WeakPolarHBondContact O-CA 3.45Å; D372-S374 PolarHBondContact O-N 3.34Å; S374-K376 PolarHBondContact O-N 3.24Å
375K61.6Low71.4Confident202 Ų202128.6 Ų128.688%0.87868%0.681SS**PPolyproline II helixtrans-46.8116.5-178.4-67177.1-178.71770106.6K373 A377K373-K375 PolarHBondContact O-N 3.09Å; K375-A377 PolarHBondContact O-N 2.97Å
376K63.2Low71.2Confident194 Ų194133.3 Ų133.384%0.84370%0.697SS**PPolyproline II helixtrans-50.4122.2-178.8-70.2-177.4177.9-1780106.9S374 Q378S374-K376 PolarHBondContact O-N 3.24Å; K376-Q378 PolarHBondContact O-N 3.37Å; K376-Q378 VanDerWaalsContact O-N 3.15Å
377A67.8Low71.6Confident91 Ų91127.6 Ų127.675%0.75269%0.688SS**PPolyproline II helixtrans-55.8124.4179.100000108.1K375 V379K375-A377 PolarHBondContact O-N 2.97Å; A377-V379 PolarHBondContact O-N 3.17Å
378Q69.7Low72.2Confident186 Ų186128 Ų12887%0.86970%0.695SS**PPolyproline II helixtrans-67122.5178.1-71.6178.2-23.400108K376K376-Q378 PolarHBondContact O-N 3.37Å; K376-Q378 VanDerWaalsContact O-N 3.15Å
379V81.1Confident73.2Confident137 Ų137124 Ų12483%0.8367%0.667SS**PPolyproline II helixtrans-86.5124.8175.7-177.10000107.7A377A377-V379 PolarHBondContact O-N 3.17Å
380I83.4Confident74.4Confident85 Ų85118.6 Ų118.644%0.43665%0.645SS.*PPolyproline II helixtrans-70.7128.9176.8-57.6171.3000107.8L393 C396 Y397I380-L393 HydrophobicContact CD1-CD2 4.29Å; I380-C396 HydrophobicContact CG2-CB 4.38Å; I380-Y397 HydrophobicContact CD1-CE1 4Å
381P85.1Confident75.9Confident79 Ų79114 Ų11451%0.51362%0.623SS.*PPolyproline II helixtrans-67.4156.8177.729-35.1000111.7
382P86.9Confident77.5Confident104 Ų104106.1 Ų106.168%0.67559%0.588SS**PPolyproline II helixtrans-62.3151175.827.4-34.5000111.5
383Y86.9Confident79Confident55 Ų55100.8 Ų100.822%0.21656%0.559CS.*PPolyproline II helixtrans-65.8133.9-177.2176.4-113.7000111.7G385 F386 G387 V478 D479Y383-G385 VanDerWaalsContact C-N 3.32Å; Y383-G385 PolarHBondContact O-N 3.48Å; Y383-F386 WeakPolarHBondContact CE2-O 3.39Å; Y383-F386 PolarHBondContact OH-O 3.42Å; Y383-G387 PolarHBondContact OH-O 3.15Å; Y383-V478 HydrophobicContact CD1-CG1 3.71Å; Y383-V478 HydrophobicContact CE1-CG1 4.24Å; Y383-D479 VanDerWaalsContact CB-OD1 3.24Å; Y383-D479 WeakPolarHBondContact CB-OD1 3.46Å; Y383-D479 PolarHBondContact N-OD1 2.77Å
384N85.8Confident80.5Confident104 Ų10493.3 Ų93.356%0.55653%0.528SS*.  trans-83.2-1-172.466.7-1.7000114.6F386N384-F386 WeakPolarHBondContact O-CD2 2.97Å; N384-F386 PolarHBondContact OD1-N 3.09Å; N384-F386 VanDerWaalsContact OD1-N 3.11Å; N384-F386 PolarHBondContact OD1-O 2.91Å
385G84.1Confident82Confident55 Ų5592.7 Ų92.757%0.56752%0.516SS*.SBendtrans86.3-2.917900000115.6Y383Y383-G385 VanDerWaalsContact C-N 3.32Å; Y383-G385 PolarHBondContact O-N 3.48Å
386F82.6Confident83.1Confident158 Ų15885.9 Ų85.969%0.69349%0.493SS*.SBendtrans-108.2138.1-179.2-64.4-80000111.9Y383 N384 S392Y383-F386 WeakPolarHBondContact CE2-O 3.39Å; Y383-F386 PolarHBondContact OH-O 3.42Å; N384-F386 WeakPolarHBondContact O-CD2 2.97Å; N384-F386 PolarHBondContact OD1-N 3.09Å; N384-F386 VanDerWaalsContact OD1-N 3.11Å; N384-F386 PolarHBondContact OD1-O 2.91Å; F386-S392 PolarHBondContact O-OG 3.15Å
387G84.8Confident84.2Confident66 Ų6683.7 Ų83.768%0.6848%0.481SS*.SBendtrans83.1-155.5178.700000113.4Y383Y383-G387 PolarHBondContact OH-O 3.15Å
388S84.6Confident84.9Confident57 Ų5781.3 Ų81.340%0.39946%0.459SS..  trans-97.2150.3163.347.70000109.5E390 D391 S392S388-E390 VanDerWaalsContact C-N 3.26Å; S388-E390 PolarHBondContact O-N 3.01Å; S388-D391 WeakPolarHBondContact O-CB 3.34Å; S388-D391 PolarHBondContact O-N 3.19Å; S388-D391 WeakPolarHBondContact OG-CB 3.47Å; S388-S392 PolarHBondContact O-N 2.93Å
389L85.6Confident85.7Confident32 Ų3280.9 Ų80.917%0.16846%0.461CS..Hα-helixtrans-55.7-44.6179.7-178.1134.3000111.4D391 S392 L393 V478 P481L389-D391 PolarHBondContact O-N 3.48Å; L389-S392 PolarHBondContact O-N 3.21Å; L389-L393 HydrophobicContact CD2-CD1 4.44Å; L389-L393 VanDerWaalsContact O-CB 3.25Å; L389-L393 WeakPolarHBondContact O-CB 3.34Å; L389-L393 PolarHBondContact O-N 3Å; L389-V478 WeakPolarHBondContact CD1-O 3.46Å; L389-P481 HydrophobicContact CD1-CG 4.3Å
390E86.5Confident86.1Confident77 Ų7781 Ų8136%0.3646%0.456SS..Hα-helixtrans-64.1-27.3-179.4-62.275.4-165.700113.2S388 P404S388-E390 VanDerWaalsContact C-N 3.26Å; S388-E390 PolarHBondContact O-N 3.01Å; E390-P404 HydrophobicContact CB-CB 4.15Å
391D88.5Confident86.3Confident65 Ų6579.9 Ų79.935%0.34845%0.454SS..Hα-helixtrans-83.9-46.9-180-173.253000110.7S388 L389 L393 Q394 P404S388-D391 WeakPolarHBondContact O-CB 3.34Å; S388-D391 PolarHBondContact O-N 3.19Å; S388-D391 WeakPolarHBondContact OG-CB 3.47Å; L389-D391 PolarHBondContact O-N 3.48Å; D391-L393 PolarHBondContact O-N 3.34Å; D391-Q394 WeakPolarHBondContact O-CB 3.48Å; D391-Q394 PolarHBondContact O-N 2.87Å; D391-Q394 VanDerWaalsContact O-N 3.08Å; D391-P404 HydrophobicContact CB-CG 4.41Å
392S88.8Confident86.5Confident15 Ų1581.7 Ų81.711%0.10546%0.456CS..Hα-helixtrans-65-27.7176.3-70.60000113.2F386 S388 L389 Q394 N395F386-S392 PolarHBondContact O-OG 3.15Å; S388-S392 PolarHBondContact O-N 2.93Å; L389-S392 PolarHBondContact O-N 3.21Å; S392-Q394 VanDerWaalsContact C-N 3.3Å; S392-Q394 PolarHBondContact O-N 2.97Å; S392-N395 WeakPolarHBondContact O-CB 3.38Å; S392-N395 PolarHBondContact O-N 3.25Å
393L87.5Confident86.5Confident45 Ų4581.8 Ų81.824%0.23646%0.456CS..Hα-helixtrans-66.6-32.3174.9-150.1176.6000111.4I380 L389 D391 N395 C396 Y397I380-L393 HydrophobicContact CD1-CD2 4.29Å; L389-L393 HydrophobicContact CD2-CD1 4.44Å; L389-L393 VanDerWaalsContact O-CB 3.25Å; L389-L393 WeakPolarHBondContact O-CB 3.34Å; L389-L393 PolarHBondContact O-N 3Å; D391-L393 PolarHBondContact O-N 3.34Å; L393-N395 VanDerWaalsContact C-N 3.28Å; L393-N395 PolarHBondContact O-N 3.46Å; L393-C396 WeakPolarHBondContact O-CB 3.44Å; L393-C396 PolarHBondContact O-N 2.91Å; L393-Y397 HydrophobicContact CD2-CD1 4.19Å; L393-Y397 HydrophobicContact CD2-CD2 3.53Å; L393-Y397 HydrophobicContact CD2-CE1 3.72Å; L393-Y397 HydrophobicContact CD2-CE2 3.03Å; L393-Y397 HydrophobicContact CD2-CG 4.1Å; L393-Y397 WeakPolarHBondContact CD2-OH 3.32Å; L393-Y397 HydrophobicContact CG-CE2 4.36Å; L393-Y397 PolarHBondContact O-N 3.04Å
394Q88.9Confident86.6Confident47 Ų4781.3 Ų81.322%0.2246%0.46CS..Hα-helixtrans-63.3-34.1176.8-64.7-63.7-3200112.4D391 S392 C396 Y397 S398 P401 E402D391-Q394 WeakPolarHBondContact O-CB 3.48Å; D391-Q394 PolarHBondContact O-N 2.87Å; D391-Q394 VanDerWaalsContact O-N 3.08Å; S392-Q394 VanDerWaalsContact C-N 3.3Å; S392-Q394 PolarHBondContact O-N 2.97Å; Q394-C396 PolarHBondContact O-N 3.48Å; Q394-Y397 PolarHBondContact O-N 3.19Å; Q394-Y397 VanDerWaalsContact O-N 3.08Å; Q394-S398 PolarHBondContact O-N 3.28Å; Q394-P401 HydrophobicContact CB-CB 4.25Å; Q394-E402 VanDerWaalsContact CG-O 3.28Å; Q394-E402 WeakPolarHBondContact CG-O 3.27Å
395N88.6Confident86.6Confident92 Ų9285.3 Ų85.349%0.49247%0.472SS..Hα-helixtrans-61.3-24.3173.3-66.1-39.7000113.1S392 L393 P401S392-N395 WeakPolarHBondContact O-CB 3.38Å; S392-N395 PolarHBondContact O-N 3.25Å; L393-N395 VanDerWaalsContact C-N 3.28Å; L393-N395 PolarHBondContact O-N 3.46Å; N395-P401 WeakPolarHBondContact OD1-CB 3.38Å; N395-P401 VanDerWaalsContact OD1-CG 3.27Å; N395-P401 WeakPolarHBondContact OD1-CG 3.25Å
396C85.6Confident86.5Confident59 Ų5988.8 Ų88.840%0.39947%0.474SS..Hα-helixtrans-87.3-23177.5-60.40000112.5I380 L393 Q394I380-C396 HydrophobicContact CG2-CB 4.38Å; L393-C396 WeakPolarHBondContact O-CB 3.44Å; L393-C396 PolarHBondContact O-N 2.91Å; Q394-C396 PolarHBondContact O-N 3.48Å
397Y85.4Confident86.7Confident149 Ų14987.5 Ų87.558%0.58447%0.474SS*.Hα-helixtrans-87.4-38.2-180-71.7-35.4000113.3I380 L393 Q394I380-Y397 HydrophobicContact CD1-CE1 4Å; L393-Y397 HydrophobicContact CD2-CD1 4.19Å; L393-Y397 HydrophobicContact CD2-CD2 3.53Å; L393-Y397 HydrophobicContact CD2-CE1 3.72Å; L393-Y397 HydrophobicContact CD2-CE2 3.03Å; L393-Y397 HydrophobicContact CD2-CG 4.1Å; L393-Y397 WeakPolarHBondContact CD2-OH 3.32Å; L393-Y397 HydrophobicContact CG-CE2 4.36Å; L393-Y397 PolarHBondContact O-N 3.04Å; Q394-Y397 PolarHBondContact O-N 3.19Å; Q394-Y397 VanDerWaalsContact O-N 3.08Å
398S82.6Confident86.7Confident41 Ų4189.8 Ų89.829%0.28747%0.47SS..  trans-136.5149.5-177.259.50000112.1Q394 I400Q394-S398 PolarHBondContact O-N 3.28Å; S398-I400 VanDerWaalsContact C-N 3.29Å; S398-I400 WeakPolarHBondContact CB-O 3.5Å; S398-I400 PolarHBondContact O-N 3.45Å; S398-I400 PolarHBondContact OG-O 3.34Å
399L86.1Confident86.9Confident176 Ų17693.7 Ų93.792%0.92149%0.486SS*.SBendtrans-64.8-35.7175.1179.865.8000112
400I90.7Very high87Confident139 Ų13995.6 Ų95.671%0.71349%0.492SS*.SBendtrans-105.6106.3173.1-58.7173000105.7S398 E402S398-I400 VanDerWaalsContact C-N 3.29Å; S398-I400 WeakPolarHBondContact CB-O 3.5Å; S398-I400 PolarHBondContact O-N 3.45Å; S398-I400 PolarHBondContact OG-O 3.34Å; I400-E402 PolarHBondContact O-N 3.29Å
401P87.4Confident86.9Confident62 Ų6297 Ų9740%0.40350%0.495SS..PPolyproline II helixtrans-68.7131.2-176.827.2-34.6000110.3Q394 N395Q394-P401 HydrophobicContact CB-CB 4.25Å; N395-P401 WeakPolarHBondContact OD1-CB 3.38Å; N395-P401 VanDerWaalsContact OD1-CG 3.27Å; N395-P401 WeakPolarHBondContact OD1-CG 3.25Å
402E87.9Confident86.9Confident117 Ų117100.3 Ų100.355%0.54751%0.511SS..PPolyproline II helixtrans-91.8144.3169.7-67.7-173.2177.100109.6Q394 I400Q394-E402 VanDerWaalsContact CG-O 3.28Å; Q394-E402 WeakPolarHBondContact CG-O 3.27Å; I400-E402 PolarHBondContact O-N 3.29Å
403P88.5Confident86.9Confident106 Ų106104 Ų10469%0.68853%0.533SS*.PPolyproline II helixtrans-61.7140.3176.525.7-33.6000110.7K405P403-K405 PolarHBondContact O-N 2.99Å
404P88.1Confident86.8Confident46 Ų46102.9 Ų102.930%0.29953%0.527SS..PPolyproline II helixtrans-61132.2-178.523.8-33.3000111E390 D391 Q406E390-P404 HydrophobicContact CB-CB 4.15Å; D391-P404 HydrophobicContact CB-CG 4.41Å; P404-Q406 PolarHBondContact O-N 3.36Å
405K85.5Confident86.7Confident187 Ų187103.7 Ų103.781%0.81354%0.538SS*.PPolyproline II helixtrans-72.8116.1-178.2-66.1179.6-176.3172.40110P403P403-K405 PolarHBondContact O-N 2.99Å
406Q83.2Confident86.5Confident129 Ų129106.6 Ų106.660%0.60355%0.554SS**PPolyproline II helixtrans-78.6145.5174.5-64.2178-3.900110.7P404 I408P404-Q406 PolarHBondContact O-N 3.36Å; Q406-I408 VanDerWaalsContact C-N 3.31Å; Q406-I408 WeakPolarHBondContact O-CG1 3.4Å; Q406-I408 PolarHBondContact O-N 3.13Å
407N85.1Confident86.6Confident130 Ų130107.5 Ų107.570%0.69555%0.551SS**  trans-72.681.3176.4-71.6-41.5000111.4L409 K410 R411N407-L409 VanDerWaalsContact C-N 3.28Å; N407-L409 PolarHBondContact O-N 3.3Å; N407-K410 HydrophobicContact CB-CB 4.07Å; N407-K410 PolarHBondContact O-N 3.31Å; N407-R411 PolarHBondContact O-N 3.1Å
408I86.7Confident87Confident114 Ų114104 Ų10459%0.58554%0.539SS*.Hα-helixtrans-57.6-40.9-174.9-52.8178.2000111.6Q406 K410 R411 L412Q406-I408 VanDerWaalsContact C-N 3.31Å; Q406-I408 WeakPolarHBondContact O-CG1 3.4Å; Q406-I408 PolarHBondContact O-N 3.13Å; I408-K410 PolarHBondContact O-N 2.97Å; I408-R411 PolarHBondContact O-N 3.05Å; I408-L412 WeakPolarHBondContact O-CB 3.45Å; I408-L412 PolarHBondContact O-N 3.21Å
409L88Confident87.4Confident140 Ų140102 Ų10273%0.73353%0.525SS*.Hα-helixtrans-60.3-46179.3-69.6173.3000111.9N407 R411 L412 V413N407-L409 VanDerWaalsContact C-N 3.28Å; N407-L409 PolarHBondContact O-N 3.3Å; L409-R411 VanDerWaalsContact C-N 3.33Å; L409-R411 PolarHBondContact O-N 3.43Å; L409-L412 PolarHBondContact O-N 3.42Å; L409-V413 WeakPolarHBondContact O-CB 3.42Å; L409-V413 WeakPolarHBondContact O-CG2 3.35Å; L409-V413 PolarHBondContact O-N 3.12Å
410K86.7Confident87.7Confident72 Ų7298.7 Ų98.731%0.31350%0.5SS..Hα-helixtrans-61-44.8177.3-175172.6-179.1172.70110.9N407 I408 L412 N414 L443 D446N407-K410 HydrophobicContact CB-CB 4.07Å; N407-K410 PolarHBondContact O-N 3.31Å; I408-K410 PolarHBondContact O-N 2.97Å; K410-L412 VanDerWaalsContact C-N 3.33Å; K410-L412 PolarHBondContact O-N 2.65Å; K410-N414 WeakPolarHBondContact O-CB 3.4Å; K410-N414 PolarHBondContact O-N 3.22Å; K410-L443 VanDerWaalsContact CE-O 3.25Å; K410-L443 WeakPolarHBondContact CE-O 3.35Å; K410-D446 VanDerWaalsContact CE-OD1 3.27Å; K410-D446 WeakPolarHBondContact CE-OD1 3.32Å; K410-D446 IonicContact NZ-OD1 3.14Å; K410-D446 PolarHBondContact NZ-OD1 2.61Å; K410-D446 IonicContact NZ-OD2 2.65Å; K410-D446 PolarHBondContact NZ-OD2 2.95Å
411R86Confident87.8Confident107 Ų10792.1 Ų92.140%0.40447%0.466SS..Hα-helixtrans-62.3-37.9177.6-174.8169.763.9-163.1-3.9112.9N407 I408 L409 S415 D444N407-R411 PolarHBondContact O-N 3.1Å; I408-R411 PolarHBondContact O-N 3.05Å; L409-R411 VanDerWaalsContact C-N 3.33Å; L409-R411 PolarHBondContact O-N 3.43Å; R411-S415 WeakPolarHBondContact O-CB 3.31Å; R411-S415 PolarHBondContact O-N 3.42Å; R411-D444 HydrophobicContact CG-CB 4.44Å
412L87.9Confident88Confident133 Ų13391.8 Ų91.870%0.69646%0.463SS*.Hα-helixtrans-72.5-48-179.9-169.371.4000111.7I408 L409 K410 N414I408-L412 WeakPolarHBondContact O-CB 3.45Å; I408-L412 PolarHBondContact O-N 3.21Å; L409-L412 PolarHBondContact O-N 3.42Å; K410-L412 VanDerWaalsContact C-N 3.33Å; K410-L412 PolarHBondContact O-N 2.65Å; L412-N414 PolarHBondContact O-N 3.02Å
413V87.8Confident88.2Confident94 Ų9486.2 Ų86.257%0.5744%0.437SS*.Hα-helixtrans-68.9-34.8-176.81740000112.1L409 K417L409-V413 WeakPolarHBondContact O-CB 3.42Å; L409-V413 WeakPolarHBondContact O-CG2 3.35Å; L409-V413 PolarHBondContact O-N 3.12Å; V413-K417 WeakPolarHBondContact O-CE 3.49Å; V413-K417 PolarHBondContact O-NZ 3.22Å
414N86.3Confident88.4Confident20 Ų2085 Ų8511%0.10742%0.421CS..THydrogen-bonded Turntrans-103.513.4-176.7-66.7-24.2000114.2K410 L412 N416 K417 L443 D444K410-N414 WeakPolarHBondContact O-CB 3.4Å; K410-N414 PolarHBondContact O-N 3.22Å; L412-N414 PolarHBondContact O-N 3.02Å; N414-N416 PolarHBondContact O-N 2.83Å; N414-K417 WeakPolarHBondContact O-CB 3.49Å; N414-K417 PolarHBondContact O-N 3.46Å; N414-L443 HydrophobicContact CB-CB 3.8Å; N414-L443 WeakPolarHBondContact CB-O 3.44Å; N414-L443 PolarHBondContact ND2-O 3.27Å; N414-L443 VanDerWaalsContact ND2-O 3.13Å; N414-D444 HydrophobicContact CB-CB 4.46Å
415S85.7Confident88.5Confident65 Ų6583.5 Ų83.546%0.45541%0.41SS..THydrogen-bonded Turntrans-53.4131.3177.3-170.60000111.2R411 K417R411-S415 WeakPolarHBondContact O-CB 3.31Å; R411-S415 PolarHBondContact O-N 3.42Å; S415-K417 PolarHBondContact O-N 3.24Å
416N84.8Confident88.6Confident153 Ų15377.5 Ų77.582%0.81839%0.387SS*.THydrogen-bonded Turntrans60.85.3-177.3-62.7-34.5000116.5N414N414-N416 PolarHBondContact O-N 2.83Å
417K89.3Confident88.7Confident77 Ų7772.4 Ų72.434%0.33537%0.366SS..  trans-88123.2173.9-59.3-177.9-174.5157.90109.8V413 N414 S415 L443 Y510V413-K417 WeakPolarHBondContact O-CE 3.49Å; V413-K417 PolarHBondContact O-NZ 3.22Å; N414-K417 WeakPolarHBondContact O-CB 3.49Å; N414-K417 PolarHBondContact O-N 3.46Å; S415-K417 PolarHBondContact O-N 3.24Å; K417-L443 HydrophobicContact CB-CB 4.44Å; K417-L443 HydrophobicContact CB-CD1 3.86Å; K417-L443 PolarHBondContact O-N 3.3Å; K417-L443 VanDerWaalsContact O-N 3.13Å; K417-Y510 WeakPolarHBondContact CD-OH 3.2Å; K417-Y510 WeakPolarHBondContact CG-OH 3.5Å
418K92Very high88.5Confident75 Ų7571.6 Ų71.633%0.32637%0.367SS..EExtended strand (participates in β ladder)trans-138.4142.2176.962-172.6174.1-171.80111.1R420 Y441K418-R420 VanDerWaalsContact NZ-NH2 3.17Å; K418-Y441 CarbonylContact C-O 3.55Å; K418-Y441 WeakPolarHBondContact CA-O 3.42Å; K418-Y441 WeakPolarHBondContact CB-O 3.17Å
419L91.3Very high88.4Confident0 Ų073.6 Ų73.60%037%0.369CS..EExtended strand (participates in β ladder)trans-93.7125.4175-52.8178.4000108.6Y421 S440 Y441 L443 P486 Y510 V511 Y514L419-Y421 HydrophobicContact CB-CE2 3.71Å; L419-S440 CarbonylContact O-C 2.94Å; L419-S440 VanDerWaalsContact O-CA 3.28Å; L419-S440 WeakPolarHBondContact O-CA 3.47Å; L419-Y441 PolarHBondContact N-O 3.45Å; L419-Y441 PolarHBondContact O-N 3Å; L419-L443 HydrophobicContact CD1-CD2 3.98Å; L419-L443 HydrophobicContact CD2-CD1 4.1Å; L419-L443 HydrophobicContact CG-CD1 4.16Å; L419-L443 HydrophobicContact CG-CD2 4.15Å; L419-L443 HydrophobicContact CG-CG 4.21Å; L419-P486 HydrophobicContact CD1-CB 3.99Å; L419-P486 HydrophobicContact CD1-CG 4.28Å; L419-Y510 HydrophobicContact CD2-CD1 4.31Å; L419-Y510 HydrophobicContact CD2-CE1 4.19Å; L419-V511 HydrophobicContact CB-CG1 4.45Å; L419-V511 HydrophobicContact CB-CG2 3.82Å; L419-V511 HydrophobicContact CD2-CB 4.4Å; L419-V511 HydrophobicContact CD2-CG1 4.4Å; L419-V511 HydrophobicContact CD2-CG2 4.15Å; L419-Y514 HydrophobicContact CD1-CD1 4.04Å; L419-Y514 HydrophobicContact CD1-CE1 4.25Å; L419-Y514 HydrophobicContact CD2-CD1 3.68Å; L419-Y514 HydrophobicContact CD2-CE1 4.43Å; L419-Y514 HydrophobicContact CD2-CG 3.82Å; L419-Y514 HydrophobicContact CG-CD1 4.42Å
420R93.3Very high88.1Confident106 Ų10671.3 Ų71.340%0.436%0.362SS..EExtended strand (participates in β ladder)trans-111.3128.1-176.2-75.7176.1156.9176-6.8110.6K418 I438 L439 D508 V511K418-R420 VanDerWaalsContact NZ-NH2 3.17Å; R420-I438 HydrophobicContact CB-CG2 4.47Å; R420-I438 HydrophobicContact CG-CG2 4.43Å; R420-L439 CarbonylContact C-O 3.51Å; R420-L439 WeakPolarHBondContact CA-O 3.26Å; R420-D508 HydrophobicContact CB-CB 4.07Å; R420-D508 PolarHBondContact O-N 3.13Å; R420-V511 WeakPolarHBondContact O-CG2 3.13Å
421Y91.8Very high87.8Confident1 Ų175.6 Ų75.60%0.00438%0.383CS..EExtended strand (participates in β ladder)trans-124.8143.2178.3-58.2-92.5000110.1L419 I438 L439 L489 L504 N506 A507 V511L419-Y421 HydrophobicContact CB-CE2 3.71Å; Y421-I438 CarbonylContact O-C 3.55Å; Y421-I438 VanDerWaalsContact O-CA 3.3Å; Y421-I438 WeakPolarHBondContact O-CA 3.31Å; Y421-L439 HydrophobicContact CD2-CD2 4.06Å; Y421-L439 PolarHBondContact N-O 2.84Å; Y421-L439 PolarHBondContact O-N 3.17Å; Y421-L489 HydrophobicContact CD2-CD1 4.33Å; Y421-L489 HydrophobicContact CE1-CB 4.34Å; Y421-L489 HydrophobicContact CE2-CB 4.16Å; Y421-L489 HydrophobicContact CE2-CD1 3.65Å; Y421-L504 HydrophobicContact CD1-CD1 4.3Å; Y421-L504 HydrophobicContact CG-CD1 4.48Å; Y421-N506 CarbonylContact C-O 3.57Å; Y421-N506 WeakPolarHBondContact CA-O 3.49Å; Y421-A507 HydrophobicContact CD1-CB 3.55Å; Y421-A507 HydrophobicContact CE1-CB 3.78Å; Y421-V511 HydrophobicContact CE1-CG1 3.66Å; Y421-V511 HydrophobicContact CE2-CG1 4.37Å; Y421-V511 VanDerWaalsContact CZ-CG1 3.49Å; Y421-V511 WeakPolarHBondContact OH-CG1 3.31Å
422V92.4Very high87.6Confident55 Ų5571.6 Ų71.633%0.33337%0.37SS..EExtended strand (participates in β ladder)trans-90.9125.6169.5-178.70000107.9F437 I505 N506V422-F437 CarbonylContact C-O 3.53Å; V422-F437 WeakPolarHBondContact CA-O 3.44Å; V422-I505 PolarHBondContact O-N 3.1Å; V422-N506 HydrophobicContact CB-CB 4.22Å; V422-N506 PolarHBondContact N-O 2.77Å; V422-N506 PolarHBondContact O-N 3.1Å
423A92.6Very high87.2Confident0 Ų073.1 Ų73.10%037%0.366CS..EExtended strand (participates in β ladder)trans-126.6151.9-178.300000111.7F437 F502 I503 L504A423-F437 HydrophobicContact CB-CB 4.46Å; A423-F437 PolarHBondContact N-O 3.41Å; A423-F437 PolarHBondContact O-N 3.44Å; A423-F502 HydrophobicContact CB-CB 4.22Å; A423-F502 HydrophobicContact CB-CD1 4.47Å; A423-I503 CarbonylContact C-O 3.57Å; A423-I503 VanDerWaalsContact CA-O 3.23Å; A423-I503 WeakPolarHBondContact CA-O 3.45Å; A423-L504 HydrophobicContact CB-CD2 3.95Å
424K91.6Very high86.9Confident82 Ų8273.2 Ų73.236%0.35736%0.364SS..EExtended strand (participates in β ladder)trans-110.6150.2165.358.7176.5178.3176.70110F502 I503 I505K424-F502 CarbonylContact O-C 3.51Å; K424-F502 WeakPolarHBondContact O-CA 3.36Å; K424-I503 HydrophobicContact CG-CB 3.93Å; K424-I503 PolarHBondContact N-O 3.07Å; K424-I503 PolarHBondContact O-N 3.37Å; K424-I505 HydrophobicContact CB-CD1 3.59Å; K424-I505 HydrophobicContact CB-CG1 4.36Å; K424-I505 HydrophobicContact CD-CD1 3.94Å; K424-I505 HydrophobicContact CD-CG1 4.18Å; K424-I505 HydrophobicContact CG-CD1 3.63Å; K424-I505 HydrophobicContact CG-CG1 3.89Å
425L90.3Very high87Confident13 Ų1374.4 Ų74.47%0.06837%0.367CS..EExtended strand (participates in β ladder)trans-82.9128.5173.9-176.168000109.8S427 D432 F437 H500 F502L425-S427 PolarHBondContact O-N 2.74Å; L425-D432 HydrophobicContact CD2-CB 4.18Å; L425-F437 HydrophobicContact CB-CD2 4.29Å; L425-F437 HydrophobicContact CB-CE2 3.61Å; L425-F437 HydrophobicContact CB-CZ 4.34Å; L425-H500 HydrophobicContact CD1-CB 4Å; L425-F502 HydrophobicContact CB-CD1 4.5Å; L425-F502 HydrophobicContact CB-CE1 4.32Å; L425-F502 HydrophobicContact CD1-CD1 4.12Å; L425-F502 HydrophobicContact CD1-CE1 3.73Å; L425-F502 HydrophobicContact CD1-CE2 4.32Å; L425-F502 HydrophobicContact CD1-CZ 3.84Å
426D87.8Confident87.2Confident62 Ų6276 Ų7633%0.33236%0.363SS..  trans-88.978.4172.9-17329.1000109.9R501 I503D426-R501 HydrophobicContact CB-CB 4.14Å; D426-R501 PolarHBondContact N-O 3.29Å; D426-R501 IonicContact OD1-NH2 2.74Å; D426-R501 IonicContact OD2-CZ 2.96Å; D426-R501 IonicContact OD2-NE 3.69Å; D426-R501 IonicContact OD2-NH1 2.66Å; D426-R501 PolarHBondContact OD2-NH1 2.97Å; D426-R501 IonicContact OD2-NH2 2.86Å; D426-R501 PolarHBondContact OD2-NH2 3.42Å; D426-I503 HydrophobicContact CB-CD1 3.81Å; D426-I503 HydrophobicContact CB-CG1 4.18Å
427S84.9Confident87.6Confident21 Ų2168.8 Ų68.815%0.14732%0.324CS..  trans-109.7143.6-176.8176.10000111.1L425 Y429 D432L425-S427 PolarHBondContact O-N 2.74Å; S427-Y429 PolarHBondContact O-N 2.99Å; S427-Y429 WeakPolarHBondContact OG-CD2 3.44Å; S427-Y429 PolarHBondContact OG-N 3.17Å; S427-D432 WeakPolarHBondContact CB-OD2 3.35Å; S427-D432 PolarHBondContact OG-OD2 3.05Å
428P82.3Confident87.8Confident113 Ų11367.6 Ų67.673%0.73432%0.321SS*.SBendtrans-67.5-17.9173.129.3-35.1000112.5
429Y84.3Confident87.9Confident157 Ų15764.1 Ų64.162%0.61631%0.306SS*.SBendtrans-79.2128.6-179.6-59.1-71000111.2S427 E431 D432S427-Y429 PolarHBondContact O-N 2.99Å; S427-Y429 WeakPolarHBondContact OG-CD2 3.44Å; S427-Y429 PolarHBondContact OG-N 3.17Å; Y429-E431 PolarHBondContact O-N 3.26Å; Y429-D432 PolarHBondContact O-N 3.49Å
430P80.3Confident88Confident92 Ų9264.6 Ų64.660%0.59731%0.309SS*.G310 helixtrans-66.2-27-177.625.7-33.4000113.1D432 R433P430-D432 PolarHBondContact O-N 3.22Å; P430-R433 PolarHBondContact O-N 2.71Å
431E80.7Confident88Confident161 Ų16159.7 Ų59.775%0.75229%0.291SS*.G310 helixtrans-64.9-27.2178-60.2-179.6-176.700112.6Y429Y429-E431 PolarHBondContact O-N 3.26Å
432D82.3Confident88.1Confident23 Ų2360.3 Ų60.312%0.12329%0.294CS..G310 helixtrans-84.5-16.9-176.9-75-31.9000114L425 S427 Y429 P430 D434 R435L425-D432 HydrophobicContact CD2-CB 4.18Å; S427-D432 WeakPolarHBondContact CB-OD2 3.35Å; S427-D432 PolarHBondContact OG-OD2 3.05Å; Y429-D432 PolarHBondContact O-N 3.49Å; P430-D432 PolarHBondContact O-N 3.22Å; D432-D434 PolarHBondContact O-N 3.02Å; D432-R435 WeakPolarHBondContact O-CB 3.41Å; D432-R435 PolarHBondContact O-N 3.19Å; D432-R435 VanDerWaalsContact O-N 3.11Å; D432-R435 WeakPolarHBondContact OD1-CD 3.44Å; D432-R435 IonicContact OD1-CZ 2.74Å; D432-R435 IonicContact OD1-NE 3.81Å; D432-R435 IonicContact OD1-NH1 3.67Å; D432-R435 PolarHBondContact OD1-NH1 3.31Å
433R80.1Confident88Confident165 Ų16557.8 Ų57.862%0.62328%0.278SS*.THydrogen-bonded Turntrans-60.4-32.2-173.7-68.8-178.4176.8-177.70.1113.3P430 R436P430-R433 PolarHBondContact O-N 2.71Å; R433-R436 PolarHBondContact O-NH1 3.02Å
434D81.9Confident87.8Confident96 Ų9659.4 Ų59.451%0.51329%0.287SS..THydrogen-bonded Turntrans-90.1-7.7-176.3-90.214.6000113.3D432 R455D432-D434 PolarHBondContact O-N 3.02Å; D434-R455 IonicContact OD2-CZ 3.36Å; D434-R455 IonicContact OD2-NH1 3.7Å; D434-R455 PolarHBondContact OD2-NH1 3.11Å
435R88.4Confident87.6Confident45 Ų4557.6 Ų57.617%0.1728%0.283CS..  trans-72.3137.7-179.8-61.3172.371.5-176.30.8110D432 F437 E452 I460D432-R435 WeakPolarHBondContact O-CB 3.41Å; D432-R435 PolarHBondContact O-N 3.19Å; D432-R435 VanDerWaalsContact O-N 3.11Å; D432-R435 WeakPolarHBondContact OD1-CD 3.44Å; D432-R435 IonicContact OD1-CZ 2.74Å; D432-R435 IonicContact OD1-NE 3.81Å; D432-R435 IonicContact OD1-NH1 3.67Å; D432-R435 PolarHBondContact OD1-NH1 3.31Å; R435-F437 HydrophobicContact CB-CE2 3.59Å; R435-F437 HydrophobicContact CB-CZ 3.86Å; R435-E452 IonicContact CZ-OE1 2.75Å; R435-E452 IonicContact CZ-OE2 3.67Å; R435-E452 IonicContact NE-OE1 2.86Å; R435-E452 PolarHBondContact NE-OE1 3.05Å; R435-E452 IonicContact NE-OE2 3.8Å; R435-E452 VanDerWaalsContact NH2-CD 3.34Å; R435-E452 IonicContact NH2-OE1 3.77Å; R435-E452 PolarHBondContact NH2-OE1 3.08Å; R435-E452 IonicContact NH2-OE2 2.74Å; R435-E452 PolarHBondContact NH2-OE2 3.18Å; R435-I460 HydrophobicContact CG-CD1 4.21Å
436R89.1Confident87.6Confident100 Ų10059.2 Ų59.238%0.37729%0.292SS..EExtended strand (participates in β ladder)trans-120.9133.1179.2-67.5-67.4-174.8-90-2.8109.3R433 T453R433-R436 PolarHBondContact O-NH1 3.02Å; R436-T453 PolarHBondContact O-N 3.27Å; R436-T453 PolarHBondContact O-OG1 3.23Å; R436-T453 VanDerWaalsContact O-OG1 3.13Å
437F92.8Very high87.8Confident1 Ų159 Ų590%0.00429%0.289CS..EExtended strand (participates in β ladder)trans-121.8142.5-176.4-59.5-89.1000109.2V422 A423 L425 R435 I450 Y451 E452 F465 F502V422-F437 CarbonylContact C-O 3.53Å; V422-F437 WeakPolarHBondContact CA-O 3.44Å; A423-F437 HydrophobicContact CB-CB 4.46Å; A423-F437 PolarHBondContact N-O 3.41Å; A423-F437 PolarHBondContact O-N 3.44Å; L425-F437 HydrophobicContact CB-CD2 4.29Å; L425-F437 HydrophobicContact CB-CE2 3.61Å; L425-F437 HydrophobicContact CB-CZ 4.34Å; R435-F437 HydrophobicContact CB-CE2 3.59Å; R435-F437 HydrophobicContact CB-CZ 3.86Å; F437-I450 HydrophobicContact CB-CG2 3.84Å; F437-I450 HydrophobicContact CD1-CG2 3.95Å; F437-I450 HydrophobicContact CG-CG2 4.24Å; F437-Y451 CarbonylContact C-O 3.53Å; F437-Y451 WeakPolarHBondContact CA-O 3.4Å; F437-E452 HydrophobicContact CD1-CB 3.86Å; F437-E452 HydrophobicContact CD1-CG 4.18Å; F437-E452 HydrophobicContact CE1-CB 3.82Å; F437-E452 HydrophobicContact CE1-CG 3.86Å; F437-E452 HydrophobicContact CZ-CG 4.44Å; F437-F465 HydrophobicContact CD1-CB 4.33Å; F437-F465 HydrophobicContact CD1-CD2 4.45Å; F437-F465 HydrophobicContact CD1-CG 4.37Å; F437-F465 HydrophobicContact CE1-CB 4.35Å; F437-F465 AromaticContact CE1-CD2 3.72Å; F437-F465 HydrophobicContact CE1-CD2 3.72Å; F437-F465 HydrophobicContact CE1-CE2 4.26Å; F437-F465 HydrophobicContact CE1-CG 4.08Å; F437-F502 HydrophobicContact CB-CD1 4.44Å; F437-F502 HydrophobicContact CB-CE1 4.3Å; F437-F502 HydrophobicContact CD1-CE1 4.1Å; F437-F502 HydrophobicContact CD2-CD1 4.13Å; F437-F502 AromaticContact CD2-CE1 3.78Å; F437-F502 HydrophobicContact CD2-CE1 3.78Å; F437-F502 HydrophobicContact CE1-CE1 4.38Å; F437-F502 HydrophobicContact CE2-CE1 4.1Å; F437-F502 HydrophobicContact CG-CD1 4.27Å; F437-F502 AromaticContact CG-CE1 3.78Å; F437-F502 HydrophobicContact CG-CE1 3.78Å; F437-F502 HydrophobicContact CZ-CE1 4.38Å
438I93.3Very high88.2Confident52 Ų5258 Ų5827%0.26728%0.282SS..EExtended strand (participates in β ladder)trans-102.5108.4170.4-58.5173.1000106.9R420 Y421 I450 Y451 T453R420-I438 HydrophobicContact CB-CG2 4.47Å; R420-I438 HydrophobicContact CG-CG2 4.43Å; Y421-I438 CarbonylContact O-C 3.55Å; Y421-I438 VanDerWaalsContact O-CA 3.3Å; Y421-I438 WeakPolarHBondContact O-CA 3.31Å; I438-I450 WeakPolarHBondContact O-CA 3.31Å; I438-Y451 PolarHBondContact N-O 2.93Å; I438-Y451 PolarHBondContact O-N 3.27Å; I438-T453 HydrophobicContact CD1-CG2 3.59Å; I438-T453 HydrophobicContact CG1-CG2 3.77Å
439L94.1Very high88.8Confident1 Ų153.5 Ų53.51%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-86.6115.6171.7-172.6151.8000108.3R420 Y421 I448 I450 L489 V495 L504R420-L439 CarbonylContact C-O 3.51Å; R420-L439 WeakPolarHBondContact CA-O 3.26Å; Y421-L439 HydrophobicContact CD2-CD2 4.06Å; Y421-L439 PolarHBondContact N-O 2.84Å; Y421-L439 PolarHBondContact O-N 3.17Å; L439-I448 HydrophobicContact CD1-CG2 4.02Å; L439-I448 HydrophobicContact CD2-CG2 3.9Å; L439-I448 HydrophobicContact CG-CG2 3.68Å; L439-I450 HydrophobicContact CD1-CD1 4.48Å; L439-I450 HydrophobicContact CD1-CG1 4.47Å; L439-I450 HydrophobicContact CG-CG1 4.36Å; L439-L489 HydrophobicContact CD2-CD1 4.42Å; L439-V495 HydrophobicContact CD1-CG1 4.37Å; L439-L504 HydrophobicContact CD1-CD2 4.31Å
440S93.9Very high89.3Confident10 Ų1046.1 Ų46.17%0.0723%0.225CC..EExtended strand (participates in β ladder)trans-108.6116.6176-57.60000110.2L419 S449L419-S440 CarbonylContact O-C 2.94Å; L419-S440 VanDerWaalsContact O-CA 3.28Å; L419-S440 WeakPolarHBondContact O-CA 3.47Å; S440-S449 PolarHBondContact N-O 3.47Å; S440-S449 PolarHBondContact O-N 2.9Å; S440-S449 PolarHBondContact O-OG 3.12Å
441Y93.3Very high89.9Confident3 Ų347 Ų471%0.01222%0.217CC..EExtended strand (participates in β ladder)trans-92.1120.8171.5-171.9-86000109.7K418 L419 L443 D446 I448 Y484 P486 L489K418-Y441 CarbonylContact C-O 3.55Å; K418-Y441 WeakPolarHBondContact CA-O 3.42Å; K418-Y441 WeakPolarHBondContact CB-O 3.17Å; L419-Y441 PolarHBondContact N-O 3.45Å; L419-Y441 PolarHBondContact O-N 3Å; Y441-L443 HydrophobicContact CD1-CD2 3.95Å; Y441-L443 HydrophobicContact CD1-CG 4.5Å; Y441-L443 HydrophobicContact CE1-CD2 4Å; Y441-D446 WeakPolarHBondContact OH-CB 3.39Å; Y441-D446 PolarHBondContact OH-OD1 3.44Å; Y441-I448 HydrophobicContact CD2-CD1 4.17Å; Y441-I448 HydrophobicContact CD2-CG1 3.68Å; Y441-I448 HydrophobicContact CE2-CG1 4.21Å; Y441-Y484 WeakPolarHBondContact CE2-O 3.33Å; Y441-Y484 PolarHBondContact OH-O 3.5Å; Y441-P486 HydrophobicContact CD1-CG 4.1Å; Y441-P486 HydrophobicContact CE1-CG 3.61Å; Y441-L489 HydrophobicContact CD2-CD1 3.86Å; Y441-L489 HydrophobicContact CG-CD1 4.11Å
442H93.3Very high90.5Very high14 Ų1440.1 Ų40.17%0.06518%0.184CC..EExtended strand (participates in β ladder)trans-92.4119.5-178.7-59.4-93.9000109.5D444 D446 M447 S449 K468H442-D444 VanDerWaalsContact C-N 3.28Å; H442-D444 VanDerWaalsContact CB-OD1 3.27Å; H442-D444 WeakPolarHBondContact CB-OD1 3.49Å; H442-D444 PolarHBondContact O-N 3.29Å; H442-D446 VanDerWaalsContact O-CA 3.32Å; H442-D446 WeakPolarHBondContact O-CA 3.39Å; H442-D446 PolarHBondContact O-N 3.4Å; H442-M447 PolarHBondContact CD2-O 3.26Å; H442-M447 PolarHBondContact N-O 3.13Å; H442-S449 PolarHBondContact NE2-OG 2.71Å; H442-K468 WeakPolarHBondContact CE1-CE 3.05Å; H442-K468 PolarHBondContact CE1-NZ 3.44Å; H442-K468 PolarHBondContact ND1-NZ 3.34Å; H442-K468 VanDerWaalsContact ND1-NZ 3.15Å
443L90.5Very high90.8Very high3 Ų341.4 Ų41.42%0.01619%0.194CC..THydrogen-bonded Turntrans-78.6-11.3-172-69.1169.4000113.9K410 N414 K417 L419 Y441 P486 Y514K410-L443 VanDerWaalsContact CE-O 3.25Å; K410-L443 WeakPolarHBondContact CE-O 3.35Å; N414-L443 HydrophobicContact CB-CB 3.8Å; N414-L443 WeakPolarHBondContact CB-O 3.44Å; N414-L443 PolarHBondContact ND2-O 3.27Å; N414-L443 VanDerWaalsContact ND2-O 3.13Å; K417-L443 HydrophobicContact CB-CB 4.44Å; K417-L443 HydrophobicContact CB-CD1 3.86Å; K417-L443 PolarHBondContact O-N 3.3Å; K417-L443 VanDerWaalsContact O-N 3.13Å; L419-L443 HydrophobicContact CD1-CD2 3.98Å; L419-L443 HydrophobicContact CD2-CD1 4.1Å; L419-L443 HydrophobicContact CG-CD1 4.16Å; L419-L443 HydrophobicContact CG-CD2 4.15Å; L419-L443 HydrophobicContact CG-CG 4.21Å; Y441-L443 HydrophobicContact CD1-CD2 3.95Å; Y441-L443 HydrophobicContact CD1-CG 4.5Å; Y441-L443 HydrophobicContact CE1-CD2 4Å; L443-P486 HydrophobicContact CD2-CG 4.16Å; L443-Y514 HydrophobicContact CD1-CD1 4.33Å; L443-Y514 HydrophobicContact CD1-CD2 3.9Å; L443-Y514 HydrophobicContact CD1-CE1 3.94Å; L443-Y514 HydrophobicContact CD1-CE2 3.45Å; L443-Y514 VanDerWaalsContact CD1-CE2 3.45Å; L443-Y514 HydrophobicContact CD1-CG 4.31Å; L443-Y514 VanDerWaalsContact CD1-CZ 3.48Å; L443-Y514 HydrophobicContact CD2-CE1 3.78Å
444D89.3Confident91Very high34 Ų3438 Ų3818%0.18219%0.193CC..THydrogen-bonded Turntrans-82.4-37.217858.6-18.4000112.5R411 N414 H442R411-D444 HydrophobicContact CG-CB 4.44Å; N414-D444 HydrophobicContact CB-CB 4.46Å; H442-D444 VanDerWaalsContact C-N 3.28Å; H442-D444 VanDerWaalsContact CB-OD1 3.27Å; H442-D444 WeakPolarHBondContact CB-OD1 3.49Å; H442-D444 PolarHBondContact O-N 3.29Å
445T87.4Confident90.9Very high44 Ų4440.8 Ų40.827%0.2720%0.196SC..THydrogen-bonded Turntrans-121.90.9-175.763.70000115.1M447 Q470T445-M447 PolarHBondContact O-N 3.42Å; T445-M447 WeakPolarHBondContact OG1-CB 3.38Å; T445-M447 WeakPolarHBondContact OG1-CG 3.46Å; T445-M447 PolarHBondContact OG1-SD 3.41Å; T445-M447 VanDerWaalsContact OG1-SD 3.41Å; T445-Q470 PolarHBondContact O-NE2 2.8Å
446D89.9Confident90.5Very high47 Ų4749.7 Ų49.725%0.25123%0.23SC..THydrogen-bonded Turntrans56.624.3-174.7-58.2-37.5000113.8K410 Y441 H442K410-D446 VanDerWaalsContact CE-OD1 3.27Å; K410-D446 WeakPolarHBondContact CE-OD1 3.32Å; K410-D446 IonicContact NZ-OD1 3.14Å; K410-D446 PolarHBondContact NZ-OD1 2.61Å; K410-D446 IonicContact NZ-OD2 2.65Å; K410-D446 PolarHBondContact NZ-OD2 2.95Å; Y441-D446 WeakPolarHBondContact OH-CB 3.39Å; Y441-D446 PolarHBondContact OH-OD1 3.44Å; H442-D446 VanDerWaalsContact O-CA 3.32Å; H442-D446 WeakPolarHBondContact O-CA 3.39Å; H442-D446 PolarHBondContact O-N 3.4Å
447M91.9Very high90Very high56 Ų5653.2 Ų53.228%0.27626%0.256SS..EExtended strand (participates in β ladder)trans-91.7149.8-179-69.7175.117900111.5H442 T445 K468 C469 Q470H442-M447 PolarHBondContact CD2-O 3.26Å; H442-M447 PolarHBondContact N-O 3.13Å; T445-M447 PolarHBondContact O-N 3.42Å; T445-M447 WeakPolarHBondContact OG1-CB 3.38Å; T445-M447 WeakPolarHBondContact OG1-CG 3.46Å; T445-M447 PolarHBondContact OG1-SD 3.41Å; T445-M447 VanDerWaalsContact OG1-SD 3.41Å; M447-K468 HydrophobicContact CB-CB 4.33Å; M447-K468 HydrophobicContact SD-CB 4.2Å; M447-C469 WeakPolarHBondContact CA-O 3.25Å; M447-Q470 HydrophobicContact CE-CG 4.3Å; M447-Q470 HydrophobicContact CG-CG 3.74Å
448I93.6Very high89.1Confident1 Ų155.7 Ų55.71%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-105.9139.5173.4-61.3178.6000108.8L439 Y441 I450 C469 V471L439-I448 HydrophobicContact CD1-CG2 4.02Å; L439-I448 HydrophobicContact CD2-CG2 3.9Å; L439-I448 HydrophobicContact CG-CG2 3.68Å; Y441-I448 HydrophobicContact CD2-CD1 4.17Å; Y441-I448 HydrophobicContact CD2-CG1 3.68Å; Y441-I448 HydrophobicContact CE2-CG1 4.21Å; I448-I450 HydrophobicContact CG2-CG1 4.16Å; I448-C469 PolarHBondContact N-O 3.27Å; I448-C469 PolarHBondContact O-N 3.09Å; I448-V471 HydrophobicContact CB-CG2 3.98Å; I448-V471 HydrophobicContact CD1-CB 4.23Å; I448-V471 HydrophobicContact CD1-CG2 4.25Å; I448-V471 HydrophobicContact CG1-CG2 4.46Å
449S94.8Very high88.4Confident18 Ų1857.3 Ų57.313%0.12630%0.303CS..EExtended strand (participates in β ladder)trans-130.7139167.762.20000109.7S440 H442S440-S449 PolarHBondContact N-O 3.47Å; S440-S449 PolarHBondContact O-N 2.9Å; S440-S449 PolarHBondContact O-OG 3.12Å; H442-S449 PolarHBondContact NE2-OG 2.71Å
450I94.6Very high87.7Confident2 Ų260 Ų601%0.0132%0.317CS..EExtended strand (participates in β ladder)trans-118.6128-176.5-55.3177.1000108.5F437 I438 L439 I448 F465 L466 V497 F502F437-I450 HydrophobicContact CB-CG2 3.84Å; F437-I450 HydrophobicContact CD1-CG2 3.95Å; F437-I450 HydrophobicContact CG-CG2 4.24Å; I438-I450 WeakPolarHBondContact O-CA 3.31Å; L439-I450 HydrophobicContact CD1-CD1 4.48Å; L439-I450 HydrophobicContact CD1-CG1 4.47Å; L439-I450 HydrophobicContact CG-CG1 4.36Å; I448-I450 HydrophobicContact CG2-CG1 4.16Å; I450-F465 HydrophobicContact CB-CB 4.27Å; I450-F465 HydrophobicContact CB-CD1 4.41Å; I450-F465 HydrophobicContact CG2-CB 4.03Å; I450-F465 HydrophobicContact CG2-CD1 4.26Å; I450-F465 HydrophobicContact CG2-CG 4.43Å; I450-F465 PolarHBondContact O-N 3.27Å; I450-L466 HydrophobicContact CB-CB 3.82Å; I450-L466 HydrophobicContact CD1-CB 4.27Å; I450-L466 HydrophobicContact CD1-CD2 4.24Å; I450-L466 HydrophobicContact CG1-CB 4.01Å; I450-L466 HydrophobicContact CG1-CD2 4.28Å; I450-L466 PolarHBondContact N-O 3.25Å; I450-L466 VanDerWaalsContact N-O 3.08Å; I450-L466 PolarHBondContact O-N 3.08Å; I450-V497 HydrophobicContact CD1-CB 4.34Å; I450-V497 HydrophobicContact CD1-CG1 4.1Å; I450-V497 HydrophobicContact CD1-CG2 4.11Å; I450-F502 HydrophobicContact CD1-CD2 4.04Å; I450-F502 HydrophobicContact CD1-CE2 3.72Å; I450-F502 HydrophobicContact CD1-CZ 4.05Å; I450-F502 HydrophobicContact CG2-CE1 4.39Å; I450-F502 HydrophobicContact CG2-CZ 4.46Å
451Y93.8Very high87.1Confident112 Ų11267.5 Ų67.544%0.43935%0.354SS..EExtended strand (participates in β ladder)trans-123.5130.8178.8-167.2-89.8000110.3F437 I438 G463 K464F437-Y451 CarbonylContact C-O 3.53Å; F437-Y451 WeakPolarHBondContact CA-O 3.4Å; I438-Y451 PolarHBondContact N-O 2.93Å; I438-Y451 PolarHBondContact O-N 3.27Å; Y451-G463 VanDerWaalsContact CE2-C 3.47Å; Y451-K464 HydrophobicContact CD2-CB 4.16Å; Y451-K464 HydrophobicContact CE2-CB 4.42Å
452E92.3Very high86.6Confident15 Ų1569 Ų697%0.0737%0.365CS..EExtended strand (participates in β ladder)trans-87.1129177.2-175.5168.9-171.900110.7R435 F437 G463R435-E452 IonicContact CZ-OE1 2.75Å; R435-E452 IonicContact CZ-OE2 3.67Å; R435-E452 IonicContact NE-OE1 2.86Å; R435-E452 PolarHBondContact NE-OE1 3.05Å; R435-E452 IonicContact NE-OE2 3.8Å; R435-E452 VanDerWaalsContact NH2-CD 3.34Å; R435-E452 IonicContact NH2-OE1 3.77Å; R435-E452 PolarHBondContact NH2-OE1 3.08Å; R435-E452 IonicContact NH2-OE2 2.74Å; R435-E452 PolarHBondContact NH2-OE2 3.18Å; F437-E452 HydrophobicContact CD1-CB 3.86Å; F437-E452 HydrophobicContact CD1-CG 4.18Å; F437-E452 HydrophobicContact CE1-CB 3.82Å; F437-E452 HydrophobicContact CE1-CG 3.86Å; F437-E452 HydrophobicContact CZ-CG 4.44Å; E452-G463 PolarHBondContact N-O 3.48Å
453T88.3Confident86.3Confident51 Ų5169.2 Ų69.231%0.31337%0.371SS..PPolyproline II helixtrans-76.1131.1179.453.30000111.1R436 I438 R455R436-T453 PolarHBondContact O-N 3.27Å; R436-T453 PolarHBondContact O-OG1 3.23Å; R436-T453 VanDerWaalsContact O-OG1 3.13Å; I438-T453 HydrophobicContact CD1-CG2 3.59Å; I438-T453 HydrophobicContact CG1-CG2 3.77Å; T453-R455 PolarHBondContact O-N 3.41Å
454P84.3Confident86.4Confident94 Ų9475.9 Ų75.961%0.6140%0.4SS*.PPolyproline II helixtrans-62.6127.8176.322.6-31000111.6S462P454-S462 VanDerWaalsContact CA-CB 3.47Å; P454-S462 VanDerWaalsContact CA-OG 3.27Å; P454-S462 WeakPolarHBondContact CA-OG 3.16Å; P454-S462 VanDerWaalsContact CB-OG 3.23Å; P454-S462 WeakPolarHBondContact CB-OG 3.21Å
455R81.3Confident86.5Confident154 Ų15477.6 Ų77.658%0.58141%0.406SS*.  trans-116.4125.4169.8-168.6178.9-178.7-167.5-0.4109.7D434 T453 S458D434-R455 IonicContact OD2-CZ 3.36Å; D434-R455 IonicContact OD2-NH1 3.7Å; D434-R455 PolarHBondContact OD2-NH1 3.11Å; T453-R455 PolarHBondContact O-N 3.41Å; R455-S458 WeakPolarHBondContact O-CB 3.02Å; R455-S458 PolarHBondContact O-N 3.3Å; R455-S458 PolarHBondContact O-OG 2.9Å
456R79.3Confident86.7Confident231 Ų23176.8 Ų76.887%0.87240%0.4SS*.THydrogen-bonded Turntrans-59.7140.9175.4-65.3-175.1179.5-168.30.4109.7S458R456-S458 VanDerWaalsContact C-N 3.25Å; R456-S458 PolarHBondContact O-N 2.97Å
457N77.7Confident86.8Confident175 Ų17577.1 Ų77.194%0.93641%0.41SS*.THydrogen-bonded Turntrans6320.5177.6-48.6-27.4000115.5
458S74.8Confident86.8Confident53 Ų5379.7 Ų79.737%0.37142%0.419SS..  trans-85.5-18.2178.658.90000114.7R455 R456 I460R455-S458 WeakPolarHBondContact O-CB 3.02Å; R455-S458 PolarHBondContact O-N 3.3Å; R455-S458 PolarHBondContact O-OG 2.9Å; R456-S458 VanDerWaalsContact C-N 3.25Å; R456-S458 PolarHBondContact O-N 2.97Å; S458-I460 PolarHBondContact O-N 2.79Å
459G78.4Confident86.6Confident85 Ų8582 Ų8288%0.87644%0.435SS*.  trans72.5-3.1-17600000115.2
460I79.8Confident86.4Confident58 Ų5884.3 Ų84.330%0.29744%0.444SS..SBendtrans-105.6132.4-177.7-58.7171000109.6R435 S458 S462R435-I460 HydrophobicContact CG-CD1 4.21Å; S458-I460 PolarHBondContact O-N 2.79Å; I460-S462 PolarHBondContact O-N 3.36Å; I460-S462 VanDerWaalsContact O-N 3.11Å
461I81.5Confident86.2Confident167 Ų16784.5 Ų84.586%0.85645%0.445SS*.  trans-73.9103.2174.2-59.5170.6000108.1
462S82.9Confident86Confident35 Ų3581 Ų8125%0.24544%0.439CS..  trans-72.4148173.759.90000111.7P454 I460P454-S462 VanDerWaalsContact CA-CB 3.47Å; P454-S462 VanDerWaalsContact CA-OG 3.27Å; P454-S462 WeakPolarHBondContact CA-OG 3.16Å; P454-S462 VanDerWaalsContact CB-OG 3.23Å; P454-S462 WeakPolarHBondContact CB-OG 3.21Å; I460-S462 PolarHBondContact O-N 3.36Å; I460-S462 VanDerWaalsContact O-N 3.11Å
463G87Confident85.8Confident19 Ų1983 Ų8320%0.19645%0.448CS..SBendtrans173.4-154.9175.700000112.5Y451 E452 F465Y451-G463 VanDerWaalsContact CE2-C 3.47Å; E452-G463 PolarHBondContact N-O 3.48Å; G463-F465 PolarHBondContact O-N 2.98Å
464K91.1Very high85.6Confident142 Ų14284.4 Ų84.462%0.61746%0.457SS*.EExtended strand (participates in β ladder)trans-70.9110.9175.4178.4-177.7-99176.30109.4Y451 A467Y451-K464 HydrophobicContact CD2-CB 4.16Å; Y451-K464 HydrophobicContact CE2-CB 4.42Å; K464-A467 HydrophobicContact CD-CB 4.04Å
465F91Very high85.2Confident70 Ų7084 Ų8431%0.30747%0.471SS..EExtended strand (participates in β ladder)trans-79-42.4175.4-172.1-87000111.3F437 I450 G463 F502F437-F465 HydrophobicContact CD1-CB 4.33Å; F437-F465 HydrophobicContact CD1-CD2 4.45Å; F437-F465 HydrophobicContact CD1-CG 4.37Å; F437-F465 HydrophobicContact CE1-CB 4.35Å; F437-F465 AromaticContact CE1-CD2 3.72Å; F437-F465 HydrophobicContact CE1-CD2 3.72Å; F437-F465 HydrophobicContact CE1-CE2 4.26Å; F437-F465 HydrophobicContact CE1-CG 4.08Å; I450-F465 HydrophobicContact CB-CB 4.27Å; I450-F465 HydrophobicContact CB-CD1 4.41Å; I450-F465 HydrophobicContact CG2-CB 4.03Å; I450-F465 HydrophobicContact CG2-CD1 4.26Å; I450-F465 HydrophobicContact CG2-CG 4.43Å; I450-F465 PolarHBondContact O-N 3.27Å; G463-F465 PolarHBondContact O-N 2.98Å; F465-F502 AromaticContact CD1-CZ 3.94Å; F465-F502 HydrophobicContact CD1-CZ 3.94Å; F465-F502 HydrophobicContact CE1-CE2 4.2Å; F465-F502 AromaticContact CE1-CZ 3.59Å; F465-F502 HydrophobicContact CE1-CZ 3.59Å; F465-F502 HydrophobicContact CZ-CZ 4.1Å
466L93Very high85.2Confident27 Ų2778.5 Ų78.514%0.14146%0.456CS..EExtended strand (participates in β ladder)trans-133125.4175.6-168.777.1000110.4I450 V471 V497 F498I450-L466 HydrophobicContact CB-CB 3.82Å; I450-L466 HydrophobicContact CD1-CB 4.27Å; I450-L466 HydrophobicContact CD1-CD2 4.24Å; I450-L466 HydrophobicContact CG1-CB 4.01Å; I450-L466 HydrophobicContact CG1-CD2 4.28Å; I450-L466 PolarHBondContact N-O 3.25Å; I450-L466 VanDerWaalsContact N-O 3.08Å; I450-L466 PolarHBondContact O-N 3.08Å; L466-V471 HydrophobicContact CD2-CG2 4.18Å; L466-V497 HydrophobicContact CD2-CG1 3.71Å; L466-F498 HydrophobicContact CD1-CD2 3.75Å; L466-F498 HydrophobicContact CD1-CE2 3.65Å; L466-F498 HydrophobicContact CD2-CE2 4.41Å
467A92.4Very high85.3Confident55 Ų5571.9 Ų71.946%0.45544%0.441SS..EExtended strand (participates in β ladder)trans-64.6166.5167.800000111.2K464 C469K464-A467 HydrophobicContact CD-CB 4.04Å; A467-C469 PolarHBondContact O-N 2.77Å
468K90.5Very high85.2Confident110 Ų11068.6 Ų68.648%0.47843%0.427SS..EExtended strand (participates in β ladder)trans-60.9115.8177.5-63.9-172-177.2-157.30108.9H442 M447H442-K468 WeakPolarHBondContact CE1-CE 3.05Å; H442-K468 PolarHBondContact CE1-NZ 3.44Å; H442-K468 PolarHBondContact ND1-NZ 3.34Å; H442-K468 VanDerWaalsContact ND1-NZ 3.15Å; M447-K468 HydrophobicContact CB-CB 4.33Å; M447-K468 HydrophobicContact SD-CB 4.2Å
469C90.5Very high85.3Confident49 Ų4970 Ų7033%0.33143%0.431SS..EExtended strand (participates in β ladder)trans-147.6152.2179.2-169.40000109.5M447 I448 A467M447-C469 WeakPolarHBondContact CA-O 3.25Å; I448-C469 PolarHBondContact N-O 3.27Å; I448-C469 PolarHBondContact O-N 3.09Å; A467-C469 PolarHBondContact O-N 2.77Å
470Q89.2Confident85.4Confident67 Ų6771.4 Ų71.431%0.31342%0.418SS..  trans-78.1131.8169.4-69.2-175.1-5.700108.8T445 M447 Y483T445-Q470 PolarHBondContact O-NE2 2.8Å; M447-Q470 HydrophobicContact CE-CG 4.3Å; M447-Q470 HydrophobicContact CG-CG 3.74Å; Q470-Y483 HydrophobicContact CB-CD1 3.84Å; Q470-Y483 HydrophobicContact CB-CE1 3.8Å
471V90.4Very high85.6Confident5 Ų569.9 Ų69.93%0.0341%0.412CS..  trans-111.3121.7-177.3-175.20000108.2I448 L466 Y483 Y484 V497I448-V471 HydrophobicContact CB-CG2 3.98Å; I448-V471 HydrophobicContact CD1-CB 4.23Å; I448-V471 HydrophobicContact CD1-CG2 4.25Å; I448-V471 HydrophobicContact CG1-CG2 4.46Å; L466-V471 HydrophobicContact CD2-CG2 4.18Å; V471-Y483 WeakPolarHBondContact O-CA 3.33Å; V471-Y484 HydrophobicContact CB-CD2 3.98Å; V471-Y484 HydrophobicContact CB-CE2 4.45Å; V471-Y484 HydrophobicContact CG1-CD2 3.78Å; V471-Y484 HydrophobicContact CG1-CE2 3.74Å; V471-Y484 WeakPolarHBondContact O-CD2 3.44Å; V471-Y484 PolarHBondContact O-N 3.48Å; V471-Y484 VanDerWaalsContact O-N 3.11Å; V471-V497 HydrophobicContact CG1-CB 4.26Å; V471-V497 HydrophobicContact CG1-CG1 4.04Å; V471-V497 HydrophobicContact CG1-CG2 4.12Å; V471-V497 HydrophobicContact CG2-CG1 4Å
472A89.9Confident86Confident40 Ų4065.3 Ų65.333%0.33139%0.391SS..BIsolated β-bridgetrans-81.1148.117600000110.9Y483 Y484A472-Y483 HydrophobicContact CB-CD1 4.29Å; A472-Y483 HydrophobicContact CB-CE1 4.4Å; A472-Y484 WeakPolarHBondContact O-CE2 3.32Å
473K88.8Confident86.3Confident57 Ų5767 Ų6725%0.24839%0.393CS..PPolyproline II helixtrans-70150.3176.8-68.4-175.8-172.2-175.80111G475 S476 V482 Y483 Y484 D488K473-G475 PolarHBondContact O-N 3.39Å; K473-S476 PolarHBondContact O-N 3.09Å; K473-S476 PolarHBondContact O-OG 3.2Å; K473-S476 VanDerWaalsContact O-OG 3.13Å; K473-V482 WeakPolarHBondContact CB-O 3.48Å; K473-V482 HydrophobicContact CD-CG1 3.88Å; K473-V482 HydrophobicContact CG-CG1 4.49Å; K473-V482 WeakPolarHBondContact CG-O 3.4Å; K473-V482 PolarHBondContact N-O 2.97Å; K473-Y483 WeakPolarHBondContact CE-O 3.27Å; K473-Y484 HydrophobicContact CG-CD1 4.06Å; K473-Y484 HydrophobicContact CG-CD2 4.35Å; K473-Y484 HydrophobicContact CG-CE1 4.05Å; K473-Y484 HydrophobicContact CG-CE2 4.34Å; K473-Y484 HydrophobicContact CG-CG 4.23Å; K473-D488 VanDerWaalsContact CE-CG 3.46Å; K473-D488 WeakPolarHBondContact CE-OD2 3.45Å; K473-D488 IonicContact NZ-OD1 3.41Å; K473-D488 PolarHBondContact NZ-OD1 2.89Å; K473-D488 IonicContact NZ-OD2 3.25Å; K473-D488 PolarHBondContact NZ-OD2 2.84Å
474P83.2Confident86.5Confident79 Ų7966.9 Ų66.951%0.51339%0.387SS..THydrogen-bonded Turntrans-61.8125.5172.726.1-33.6000109.7Y484 E496P474-Y484 WeakPolarHBondContact CD-OH 3.27Å; P474-E496 WeakPolarHBondContact CB-OE2 3.15Å; P474-E496 HydrophobicContact CG-CB 4.28Å
475G76.8Confident86.4Confident86 Ų8663 Ų6389%0.88738%0.375SS*.THydrogen-bonded Turntrans99-1.5-179.300000116K473K473-G475 PolarHBondContact O-N 3.39Å
476S81.4Confident86.2Confident38 Ų3860.7 Ų60.727%0.26637%0.367SS..  trans-75136.5170.363.60000111.7K473K473-S476 PolarHBondContact O-N 3.09Å; K473-S476 PolarHBondContact O-OG 3.2Å; K473-S476 VanDerWaalsContact O-OG 3.13Å
477T79.9Confident85.8Confident92 Ų9260.4 Ų60.456%0.56437%0.368SS*.BIsolated β-bridgetrans-74.1152.4171.136.90000111.1D479 N480T477-D479 PolarHBondContact O-N 2.8Å; T477-N480 CarbonylContact O-C 3.57Å; T477-N480 PolarHBondContact O-N 3.15Å; T477-N480 VanDerWaalsContact O-N 3.09Å
478V77.5Confident85.4Confident106 Ų10660.2 Ų60.264%0.64236%0.36SS*.THydrogen-bonded Turntrans-59.3-34.2179.1-175.50000111.5Y383 L389Y383-V478 HydrophobicContact CD1-CG1 3.71Å; Y383-V478 HydrophobicContact CE1-CG1 4.24Å; L389-V478 WeakPolarHBondContact CD1-O 3.46Å
479D75.1Confident85.2Confident84 Ų8455 Ų5545%0.44934%0.337SS..THydrogen-bonded Turntrans-76.4-19.8179.2-59.9-47000114Y383 T477Y383-D479 VanDerWaalsContact CB-OD1 3.24Å; Y383-D479 WeakPolarHBondContact CB-OD1 3.46Å; Y383-D479 PolarHBondContact N-OD1 2.77Å; T477-D479 PolarHBondContact O-N 2.8Å
480N81.9Confident84.9Confident114 Ų11454.4 Ų54.461%0.6133%0.332SS*.BIsolated β-bridgetrans-140.271.8178.5-167.314.3000110.4T477 V482T477-N480 CarbonylContact O-C 3.57Å; T477-N480 PolarHBondContact O-N 3.15Å; T477-N480 VanDerWaalsContact O-N 3.09Å; N480-V482 PolarHBondContact O-N 3.41Å
481P84.1Confident84.7Confident26 Ų2652 Ų5217%0.16932%0.321CS..  trans-70.2125.7-17728.4-33.6000110.2L389 Y483L389-P481 HydrophobicContact CD1-CG 4.3Å; P481-Y483 HydrophobicContact CB-CE1 4.14Å; P481-Y483 HydrophobicContact CB-CE2 4.19Å; P481-Y483 HydrophobicContact CG-CE2 4.06Å
482V88.8Confident84.3Confident70 Ų7054.2 Ų54.242%0.42435%0.345SS..  trans-101.9110.7173.5-179.50000107.5K473 N480K473-V482 WeakPolarHBondContact CB-O 3.48Å; K473-V482 HydrophobicContact CD-CG1 3.88Å; K473-V482 HydrophobicContact CG-CG1 4.49Å; K473-V482 WeakPolarHBondContact CG-O 3.4Å; K473-V482 PolarHBondContact N-O 2.97Å; N480-V482 PolarHBondContact O-N 3.41Å
483Y90.5Very high84.2Confident71 Ų7153.8 Ų53.828%0.27834%0.341SS..BIsolated β-bridgetrans-85156.5-177.5-59.1-70000112.8Q470 V471 A472 K473 P481Q470-Y483 HydrophobicContact CB-CD1 3.84Å; Q470-Y483 HydrophobicContact CB-CE1 3.8Å; V471-Y483 WeakPolarHBondContact O-CA 3.33Å; A472-Y483 HydrophobicContact CB-CD1 4.29Å; A472-Y483 HydrophobicContact CB-CE1 4.4Å; K473-Y483 WeakPolarHBondContact CE-O 3.27Å; P481-Y483 HydrophobicContact CB-CE1 4.14Å; P481-Y483 HydrophobicContact CB-CE2 4.19Å; P481-Y483 HydrophobicContact CG-CE2 4.06Å
484Y90.6Very high84.2Confident17 Ų1754.5 Ų54.57%0.06735%0.35CS..  trans-66.3136.1172.5-75-80.5000111.8Y441 V471 A472 K473 P474 D488 V495 E496Y441-Y484 WeakPolarHBondContact CE2-O 3.33Å; Y441-Y484 PolarHBondContact OH-O 3.5Å; V471-Y484 HydrophobicContact CB-CD2 3.98Å; V471-Y484 HydrophobicContact CB-CE2 4.45Å; V471-Y484 HydrophobicContact CG1-CD2 3.78Å; V471-Y484 HydrophobicContact CG1-CE2 3.74Å; V471-Y484 WeakPolarHBondContact O-CD2 3.44Å; V471-Y484 PolarHBondContact O-N 3.48Å; V471-Y484 VanDerWaalsContact O-N 3.11Å; A472-Y484 WeakPolarHBondContact O-CE2 3.32Å; K473-Y484 HydrophobicContact CG-CD1 4.06Å; K473-Y484 HydrophobicContact CG-CD2 4.35Å; K473-Y484 HydrophobicContact CG-CE1 4.05Å; K473-Y484 HydrophobicContact CG-CE2 4.34Å; K473-Y484 HydrophobicContact CG-CG 4.23Å; P474-Y484 WeakPolarHBondContact CD-OH 3.27Å; Y484-D488 HydrophobicContact CD1-CB 4.04Å; Y484-V495 HydrophobicContact CD1-CG1 4.38Å; Y484-V495 HydrophobicContact CD2-CG1 4.43Å; Y484-V495 HydrophobicContact CE1-CG1 4.05Å; Y484-V495 HydrophobicContact CE2-CG1 4.1Å; Y484-E496 VanDerWaalsContact CE2-O 3.31Å; Y484-E496 WeakPolarHBondContact CE2-O 3.28Å; Y484-E496 PolarHBondContact OH-N 3.35Å; Y484-E496 PolarHBondContact OH-O 3.34Å; Y484-E496 VanDerWaalsContact OH-O 3.1Å
485T88.9Confident84.6Confident59 Ų5950.8 Ų50.836%0.36233%0.327SS..  trans-115.3164.7176.166.10000110.7A487 D488T485-A487 PolarHBondContact O-N 2.8Å; T485-A487 VanDerWaalsContact O-N 3.1Å; T485-D488 PolarHBondContact N-OD2 2.74Å; T485-D488 WeakPolarHBondContact O-CB 3.37Å; T485-D488 PolarHBondContact O-N 2.84Å; T485-D488 PolarHBondContact OG1-OD2 2.95Å
486P86.1Confident85.2Confident23 Ų2350 Ų5015%0.14930%0.3CS..G310 helixtrans-57.2-25.1175.4-25.836.4000113.8L419 Y441 L443 D488 L489 L515L419-P486 HydrophobicContact CD1-CB 3.99Å; L419-P486 HydrophobicContact CD1-CG 4.28Å; Y441-P486 HydrophobicContact CD1-CG 4.1Å; Y441-P486 HydrophobicContact CE1-CG 3.61Å; L443-P486 HydrophobicContact CD2-CG 4.16Å; P486-D488 VanDerWaalsContact C-N 3.28Å; P486-D488 PolarHBondContact O-N 3.47Å; P486-L489 PolarHBondContact O-N 2.81Å; P486-L515 HydrophobicContact CB-CD2 4.14Å
487A85.2Confident85.7Confident20 Ų2048.4 Ų48.417%0.16529%0.288CS..G310 helixtrans-65.4-30.717600000113T485 P523 T526T485-A487 PolarHBondContact O-N 2.8Å; T485-A487 VanDerWaalsContact O-N 3.1Å; A487-P523 HydrophobicContact CB-CG 4.36Å; A487-T526 PolarHBondContact O-OG1 2.69Å
488D84.8Confident86Confident52 Ų5250 Ų5028%0.27829%0.287SS..G310 helixtrans-83.3-13.9-177.2-55.6-63.9000112.9K473 Y484 T485 P486 V490K473-D488 VanDerWaalsContact CE-CG 3.46Å; K473-D488 WeakPolarHBondContact CE-OD2 3.45Å; K473-D488 IonicContact NZ-OD1 3.41Å; K473-D488 PolarHBondContact NZ-OD1 2.89Å; K473-D488 IonicContact NZ-OD2 3.25Å; K473-D488 PolarHBondContact NZ-OD2 2.84Å; Y484-D488 HydrophobicContact CD1-CB 4.04Å; T485-D488 PolarHBondContact N-OD2 2.74Å; T485-D488 WeakPolarHBondContact O-CB 3.37Å; T485-D488 PolarHBondContact O-N 2.84Å; T485-D488 PolarHBondContact OG1-OD2 2.95Å; P486-D488 VanDerWaalsContact C-N 3.28Å; P486-D488 PolarHBondContact O-N 3.47Å; D488-V490 VanDerWaalsContact C-N 3.32Å; D488-V490 PolarHBondContact O-N 3.17Å; D488-V490 VanDerWaalsContact O-N 3.09Å
489L85.4Confident86.5Confident0 Ų050 Ų500%029%0.292CS..  trans-88.765.7-174.9-61177.3000111.4Y421 L439 Y441 P486 V495 L504Y421-L489 HydrophobicContact CD2-CD1 4.33Å; Y421-L489 HydrophobicContact CE1-CB 4.34Å; Y421-L489 HydrophobicContact CE2-CB 4.16Å; Y421-L489 HydrophobicContact CE2-CD1 3.65Å; L439-L489 HydrophobicContact CD2-CD1 4.42Å; Y441-L489 HydrophobicContact CD2-CD1 3.86Å; Y441-L489 HydrophobicContact CG-CD1 4.11Å; P486-L489 PolarHBondContact O-N 2.81Å; L489-V495 HydrophobicContact CD2-CG2 3.72Å; L489-L504 HydrophobicContact CB-CD1 4.01Å; L489-L504 HydrophobicContact CD2-CD1 4.15Å
490V85Confident87.2Confident37 Ų3750.1 Ų50.122%0.22429%0.29CS..  trans-82.7141.9177.4-169.90000111D488 G492 A493 T526D488-V490 VanDerWaalsContact C-N 3.32Å; D488-V490 PolarHBondContact O-N 3.17Å; D488-V490 VanDerWaalsContact O-N 3.09Å; V490-G492 PolarHBondContact O-N 3.37Å; V490-A493 HydrophobicContact CB-CB 4Å; V490-A493 WeakPolarHBondContact O-CB 3.4Å; V490-A493 PolarHBondContact O-N 3.05Å; V490-T526 HydrophobicContact CB-CG2 4.48Å; V490-T526 HydrophobicContact CG2-CG2 3.93Å; V490-T526 VanDerWaalsContact CG2-OG1 3.31Å; V490-T526 WeakPolarHBondContact CG2-OG1 3.34Å
491I85Confident87.6Confident15 Ų1550.2 Ų50.28%0.07728%0.282CS..THydrogen-bonded Turntrans-67.4130.1172.5-59.4175.2000109.4I505 A507 S529 L530 T533I491-I505 WeakPolarHBondContact CG2-O 3.28Å; I491-A507 HydrophobicContact CD1-CB 3.93Å; I491-A507 HydrophobicContact CG1-CB 4.44Å; I491-S529 PolarHBondContact O-OG 3.33Å; I491-L530 HydrophobicContact CD1-CB 4.47Å; I491-L530 HydrophobicContact CD1-CD2 3.44Å; I491-L530 VanDerWaalsContact CD1-CD2 3.44Å; I491-L530 HydrophobicContact CD1-CG 3.81Å; I491-L530 HydrophobicContact CG1-CD2 4.04Å; I491-L530 HydrophobicContact CG1-CG 4.18Å; I491-T533 HydrophobicContact CD1-CG2 4.42Å; I491-T533 WeakPolarHBondContact CD1-OG1 3.27Å; I491-T533 HydrophobicContact CG2-CG2 3.95Å
492G82.1Confident88Confident52 Ų5249 Ų4954%0.53627%0.274SS..THydrogen-bonded Turntrans91-12.2-169.900000114.2V490 L504V490-G492 PolarHBondContact O-N 3.37Å; G492-L504 WeakPolarHBondContact CA-O 3.45Å; G492-L504 PolarHBondContact N-O 3.25Å
493A86.6Confident88.1Confident31 Ų3147.2 Ų47.226%0.25626%0.262SS..  trans-75.9151.5177.100000112.4V490 I503 L504V490-A493 HydrophobicContact CB-CB 4Å; V490-A493 WeakPolarHBondContact O-CB 3.4Å; V490-A493 PolarHBondContact O-N 3.05Å; A493-I503 WeakPolarHBondContact O-CA 3.19Å; A493-L504 PolarHBondContact O-N 2.99Å
494T89.6Confident88.2Confident72 Ų7243.9 Ų43.944%0.44225%0.249SC..EExtended strand (participates in β ladder)trans-95.8112.9176.1-55.20000109.5R501 F502T494-R501 HydrophobicContact CG2-CB 3.72Å; T494-R501 HydrophobicContact CG2-CG 4.18Å; T494-F502 CarbonylContact C-O 3.5Å; T494-F502 WeakPolarHBondContact CA-O 3.41Å
495V91.1Very high88Confident2 Ų246.1 Ų46.11%0.01226%0.261CS..EExtended strand (participates in β ladder)trans-94.8113.8174-174.90000108.3L439 Y484 L489 V497 F502 L504L439-V495 HydrophobicContact CD1-CG1 4.37Å; Y484-V495 HydrophobicContact CD1-CG1 4.38Å; Y484-V495 HydrophobicContact CD2-CG1 4.43Å; Y484-V495 HydrophobicContact CE1-CG1 4.05Å; Y484-V495 HydrophobicContact CE2-CG1 4.1Å; L489-V495 HydrophobicContact CD2-CG2 3.72Å; V495-V497 HydrophobicContact CG1-CG2 3.81Å; V495-F502 PolarHBondContact N-O 3.28Å; V495-F502 PolarHBondContact O-N 2.98Å; V495-L504 HydrophobicContact CG2-CD1 4.02Å; V495-L504 HydrophobicContact CG2-CD2 4.32Å; V495-L504 HydrophobicContact CG2-CG 4.06Å
496E90.8Very high88Confident69 Ų6944.3 Ų44.332%0.32225%0.249SC..EExtended strand (participates in β ladder)trans-87.8124.1175.5-169.8175.8164.200110.6P474 Y484 H500 R501P474-E496 WeakPolarHBondContact CB-OE2 3.15Å; P474-E496 HydrophobicContact CG-CB 4.28Å; Y484-E496 VanDerWaalsContact CE2-O 3.31Å; Y484-E496 WeakPolarHBondContact CE2-O 3.28Å; Y484-E496 PolarHBondContact OH-N 3.35Å; Y484-E496 PolarHBondContact OH-O 3.34Å; Y484-E496 VanDerWaalsContact OH-O 3.1Å; E496-H500 WeakPolarHBondContact CA-O 3.21Å; E496-R501 HydrophobicContact CG-CG 4.31Å
497V90.9Very high88.1Confident4 Ų443.5 Ų43.52%0.02425%0.245CC..EExtended strand (participates in β ladder)trans-133.5108-175.8-174.80000108.3I450 L466 V471 V495 S499 H500 F502I450-V497 HydrophobicContact CD1-CB 4.34Å; I450-V497 HydrophobicContact CD1-CG1 4.1Å; I450-V497 HydrophobicContact CD1-CG2 4.11Å; L466-V497 HydrophobicContact CD2-CG1 3.71Å; V471-V497 HydrophobicContact CG1-CB 4.26Å; V471-V497 HydrophobicContact CG1-CG1 4.04Å; V471-V497 HydrophobicContact CG1-CG2 4.12Å; V471-V497 HydrophobicContact CG2-CG1 4Å; V495-V497 HydrophobicContact CG1-CG2 3.81Å; V497-S499 VanDerWaalsContact C-N 3.33Å; V497-S499 PolarHBondContact O-N 2.72Å; V497-H500 PolarHBondContact N-O 3.33Å; V497-H500 WeakPolarHBondContact O-CB 3.5Å; V497-H500 PolarHBondContact O-N 2.79Å; V497-F502 HydrophobicContact CB-CD2 4.18Å; V497-F502 HydrophobicContact CB-CE2 4.13Å; V497-F502 HydrophobicContact CG2-CD2 4.02Å; V497-F502 HydrophobicContact CG2-CE2 4.4Å
498F87.2Confident88.3Confident125 Ų12546.2 Ų46.255%0.54826%0.257SS..THydrogen-bonded Turntrans46.752.6-178.5-58-67.2000113.2L466 H500L466-F498 HydrophobicContact CD1-CD2 3.75Å; L466-F498 HydrophobicContact CD1-CE2 3.65Å; L466-F498 HydrophobicContact CD2-CE2 4.41Å; F498-H500 PolarHBondContact O-CD2 2.78Å; F498-H500 PolarHBondContact O-N 3.22Å; F498-H500 VanDerWaalsContact O-N 3.16Å
499S86.6Confident88.3Confident107 Ų10748.1 Ų48.175%0.74827%0.266SS*.THydrogen-bonded Turntrans68.13-178.3-46.80000116V497V497-S499 VanDerWaalsContact C-N 3.33Å; V497-S499 PolarHBondContact O-N 2.72Å
500H89.4Confident88.4Confident87 Ų8752.3 Ų52.340%0.40328%0.283SS..EExtended strand (participates in β ladder)trans-97.8131.1169.7-64.4-77.2000110.5L425 E496 V497 F498 F502L425-H500 HydrophobicContact CD1-CB 4Å; E496-H500 WeakPolarHBondContact CA-O 3.21Å; V497-H500 PolarHBondContact N-O 3.33Å; V497-H500 WeakPolarHBondContact O-CB 3.5Å; V497-H500 PolarHBondContact O-N 2.79Å; F498-H500 PolarHBondContact O-CD2 2.78Å; F498-H500 PolarHBondContact O-N 3.22Å; F498-H500 VanDerWaalsContact O-N 3.16Å; H500-F502 HydrophobicContact CB-CD2 4.41Å; H500-F502 HydrophobicContact CB-CE2 3.67Å; H500-F502 HydrophobicContact CB-CZ 4.17Å
501R91.7Very high88.5Confident115 Ų11550.6 Ų50.643%0.43427%0.272SS..EExtended strand (participates in β ladder)trans-101.2117.7-177.9-65.8-177.2-56.8150.614.5110.1D426 T494 E496D426-R501 HydrophobicContact CB-CB 4.14Å; D426-R501 PolarHBondContact N-O 3.29Å; D426-R501 IonicContact OD1-NH2 2.74Å; D426-R501 IonicContact OD2-CZ 2.96Å; D426-R501 IonicContact OD2-NE 3.69Å; D426-R501 IonicContact OD2-NH1 2.66Å; D426-R501 PolarHBondContact OD2-NH1 2.97Å; D426-R501 IonicContact OD2-NH2 2.86Å; D426-R501 PolarHBondContact OD2-NH2 3.42Å; T494-R501 HydrophobicContact CG2-CB 3.72Å; T494-R501 HydrophobicContact CG2-CG 4.18Å; E496-R501 HydrophobicContact CG-CG 4.31Å
502F91.8Very high88.4Confident1 Ų151.1 Ų51.10%0.00428%0.275CS..EExtended strand (participates in β ladder)trans-108.9123.3179.4-68-84.1000110.4A423 K424 L425 F437 I450 F465 T494 V495 V497 H500A423-F502 HydrophobicContact CB-CB 4.22Å; A423-F502 HydrophobicContact CB-CD1 4.47Å; K424-F502 CarbonylContact O-C 3.51Å; K424-F502 WeakPolarHBondContact O-CA 3.36Å; L425-F502 HydrophobicContact CB-CD1 4.5Å; L425-F502 HydrophobicContact CB-CE1 4.32Å; L425-F502 HydrophobicContact CD1-CD1 4.12Å; L425-F502 HydrophobicContact CD1-CE1 3.73Å; L425-F502 HydrophobicContact CD1-CE2 4.32Å; L425-F502 HydrophobicContact CD1-CZ 3.84Å; F437-F502 HydrophobicContact CB-CD1 4.44Å; F437-F502 HydrophobicContact CB-CE1 4.3Å; F437-F502 HydrophobicContact CD1-CE1 4.1Å; F437-F502 HydrophobicContact CD2-CD1 4.13Å; F437-F502 AromaticContact CD2-CE1 3.78Å; F437-F502 HydrophobicContact CD2-CE1 3.78Å; F437-F502 HydrophobicContact CE1-CE1 4.38Å; F437-F502 HydrophobicContact CE2-CE1 4.1Å; F437-F502 HydrophobicContact CG-CD1 4.27Å; F437-F502 AromaticContact CG-CE1 3.78Å; F437-F502 HydrophobicContact CG-CE1 3.78Å; F437-F502 HydrophobicContact CZ-CE1 4.38Å; I450-F502 HydrophobicContact CD1-CD2 4.04Å; I450-F502 HydrophobicContact CD1-CE2 3.72Å; I450-F502 HydrophobicContact CD1-CZ 4.05Å; I450-F502 HydrophobicContact CG2-CE1 4.39Å; I450-F502 HydrophobicContact CG2-CZ 4.46Å; F465-F502 AromaticContact CD1-CZ 3.94Å; F465-F502 HydrophobicContact CD1-CZ 3.94Å; F465-F502 HydrophobicContact CE1-CE2 4.2Å; F465-F502 AromaticContact CE1-CZ 3.59Å; F465-F502 HydrophobicContact CE1-CZ 3.59Å; F465-F502 HydrophobicContact CZ-CZ 4.1Å; T494-F502 CarbonylContact C-O 3.5Å; T494-F502 WeakPolarHBondContact CA-O 3.41Å; V495-F502 PolarHBondContact N-O 3.28Å; V495-F502 PolarHBondContact O-N 2.98Å; V497-F502 HydrophobicContact CB-CD2 4.18Å; V497-F502 HydrophobicContact CB-CE2 4.13Å; V497-F502 HydrophobicContact CG2-CD2 4.02Å; V497-F502 HydrophobicContact CG2-CE2 4.4Å; H500-F502 HydrophobicContact CB-CD2 4.41Å; H500-F502 HydrophobicContact CB-CE2 3.67Å; H500-F502 HydrophobicContact CB-CZ 4.17Å
503I91.6Very high88.6Confident32 Ų3255.1 Ų55.116%0.16428%0.278CS..EExtended strand (participates in β ladder)trans-93.8121.1175.2-60.1165.9000108.2A423 K424 D426 A493 I505A423-I503 CarbonylContact C-O 3.57Å; A423-I503 VanDerWaalsContact CA-O 3.23Å; A423-I503 WeakPolarHBondContact CA-O 3.45Å; K424-I503 HydrophobicContact CG-CB 3.93Å; K424-I503 PolarHBondContact N-O 3.07Å; K424-I503 PolarHBondContact O-N 3.37Å; D426-I503 HydrophobicContact CB-CD1 3.81Å; D426-I503 HydrophobicContact CB-CG1 4.18Å; A493-I503 WeakPolarHBondContact O-CA 3.19Å; I503-I505 PolarHBondContact O-N 2.77Å
504L91.4Very high88.6Confident1 Ų155.6 Ų55.61%0.00527%0.273CS..EExtended strand (participates in β ladder)trans-72119.1176-58.4-175.5000109.4Y421 A423 L439 L489 G492 A493 V495Y421-L504 HydrophobicContact CD1-CD1 4.3Å; Y421-L504 HydrophobicContact CG-CD1 4.48Å; A423-L504 HydrophobicContact CB-CD2 3.95Å; L439-L504 HydrophobicContact CD1-CD2 4.31Å; L489-L504 HydrophobicContact CB-CD1 4.01Å; L489-L504 HydrophobicContact CD2-CD1 4.15Å; G492-L504 WeakPolarHBondContact CA-O 3.45Å; G492-L504 PolarHBondContact N-O 3.25Å; A493-L504 PolarHBondContact O-N 2.99Å; V495-L504 HydrophobicContact CG2-CD1 4.02Å; V495-L504 HydrophobicContact CG2-CD2 4.32Å; V495-L504 HydrophobicContact CG2-CG 4.06Å
505I88.1Confident88.3Confident64 Ų6452.2 Ų52.233%0.32825%0.252SS..EExtended strand (participates in β ladder)trans-94.8-43.4-179.5-60.9162.9000110.6V422 K424 I491 I503V422-I505 PolarHBondContact O-N 3.1Å; K424-I505 HydrophobicContact CB-CD1 3.59Å; K424-I505 HydrophobicContact CB-CG1 4.36Å; K424-I505 HydrophobicContact CD-CD1 3.94Å; K424-I505 HydrophobicContact CD-CG1 4.18Å; K424-I505 HydrophobicContact CG-CD1 3.63Å; K424-I505 HydrophobicContact CG-CG1 3.89Å; I491-I505 WeakPolarHBondContact CG2-O 3.28Å; I503-I505 PolarHBondContact O-N 2.77Å
506N88Confident88Confident21 Ų2156.1 Ų56.111%0.11227%0.27CS..EExtended strand (participates in β ladder)trans-151.8167.6-173.7-165.212.4000111.4Y421 V422 E537Y421-N506 CarbonylContact C-O 3.57Å; Y421-N506 WeakPolarHBondContact CA-O 3.49Å; V422-N506 HydrophobicContact CB-CB 4.22Å; V422-N506 PolarHBondContact N-O 2.77Å; V422-N506 PolarHBondContact O-N 3.1Å; N506-E537 PolarHBondContact ND2-OE1 3.23Å; N506-E537 PolarHBondContact ND2-OE2 3.3Å
507A88.8Confident87.7Confident7 Ų757.5 Ų57.56%0.05829%0.288CS..EExtended strand (participates in β ladder)trans-135.9154.6179.300000111.8Y421 I491 V511 L530Y421-A507 HydrophobicContact CD1-CB 3.55Å; Y421-A507 HydrophobicContact CE1-CB 3.78Å; I491-A507 HydrophobicContact CD1-CB 3.93Å; I491-A507 HydrophobicContact CG1-CB 4.44Å; A507-V511 HydrophobicContact CB-CB 4.18Å; A507-V511 HydrophobicContact CB-CG1 4.24Å; A507-V511 HydrophobicContact CB-CG2 4.42Å; A507-L530 HydrophobicContact CB-CD2 3.42Å; A507-L530 VanDerWaalsContact CB-CD2 3.42Å
508D88.5Confident87.3Confident77 Ų7759.6 Ų59.641%0.41230%0.299SS..  trans-71.1152.7176.4-162.7-2.7000111.6R420 Y510 V511R420-D508 HydrophobicContact CB-CB 4.07Å; R420-D508 PolarHBondContact O-N 3.13Å; D508-Y510 PolarHBondContact O-N 3.25Å; D508-Y510 VanDerWaalsContact O-N 3.12Å; D508-V511 HydrophobicContact CB-CG2 4.19Å; D508-V511 VanDerWaalsContact O-CB 3.26Å; D508-V511 WeakPolarHBondContact O-CB 3.48Å; D508-V511 PolarHBondContact O-N 3.26Å
509L85.8Confident86.7Confident92 Ų9256.5 Ų56.548%0.48229%0.293SS..Hα-helixtrans-58-31.1-179.9-72.4170000112.5V511 L512 K513 V534L509-V511 VanDerWaalsContact C-N 3.28Å; L509-V511 PolarHBondContact O-N 3.34Å; L509-L512 PolarHBondContact O-N 3.27Å; L509-K513 PolarHBondContact O-N 3.36Å; L509-V534 HydrophobicContact CD2-CG1 3.38Å
510Y86.9Confident86.2Confident88 Ų8859 Ų5935%0.34530%0.298SS..Hα-helixtrans-64-34175.9179.5-104.4000112.5K417 L419 D508 K513 Y514K417-Y510 WeakPolarHBondContact CD-OH 3.2Å; K417-Y510 WeakPolarHBondContact CG-OH 3.5Å; L419-Y510 HydrophobicContact CD2-CD1 4.31Å; L419-Y510 HydrophobicContact CD2-CE1 4.19Å; D508-Y510 PolarHBondContact O-N 3.25Å; D508-Y510 VanDerWaalsContact O-N 3.12Å; Y510-K513 PolarHBondContact O-N 3.35Å; Y510-Y514 WeakPolarHBondContact O-CB 3.24Å; Y510-Y514 PolarHBondContact O-N 2.8Å
511V85.9Confident85.4Confident0 Ų062.5 Ų62.50%031%0.314CS..Hα-helixtrans-63.6-46179.7178.70000110.8L419 R420 Y421 A507 D508 L509 Y514 L515 L530L419-V511 HydrophobicContact CB-CG1 4.45Å; L419-V511 HydrophobicContact CB-CG2 3.82Å; L419-V511 HydrophobicContact CD2-CB 4.4Å; L419-V511 HydrophobicContact CD2-CG1 4.4Å; L419-V511 HydrophobicContact CD2-CG2 4.15Å; R420-V511 WeakPolarHBondContact O-CG2 3.13Å; Y421-V511 HydrophobicContact CE1-CG1 3.66Å; Y421-V511 HydrophobicContact CE2-CG1 4.37Å; Y421-V511 VanDerWaalsContact CZ-CG1 3.49Å; Y421-V511 WeakPolarHBondContact OH-CG1 3.31Å; A507-V511 HydrophobicContact CB-CB 4.18Å; A507-V511 HydrophobicContact CB-CG1 4.24Å; A507-V511 HydrophobicContact CB-CG2 4.42Å; D508-V511 HydrophobicContact CB-CG2 4.19Å; D508-V511 VanDerWaalsContact O-CB 3.26Å; D508-V511 WeakPolarHBondContact O-CB 3.48Å; D508-V511 PolarHBondContact O-N 3.26Å; L509-V511 VanDerWaalsContact C-N 3.28Å; L509-V511 PolarHBondContact O-N 3.34Å; V511-Y514 PolarHBondContact O-N 2.81Å; V511-L515 HydrophobicContact CG1-CD1 3.72Å; V511-L515 HydrophobicContact CG1-CG 4.38Å; V511-L515 WeakPolarHBondContact O-CG 3.34Å; V511-L515 PolarHBondContact O-N 2.72Å; V511-L530 HydrophobicContact CG1-CD2 4.25Å
512L84Confident84.7Confident27 Ų2757.8 Ų57.814%0.14130%0.298CS..Hα-helixtrans-61-48.2178.7-175.8145.4000111.2L509 Y514 L515 E516 L530 K531 V534L509-L512 PolarHBondContact O-N 3.27Å; L512-Y514 VanDerWaalsContact C-N 3.31Å; L512-Y514 PolarHBondContact O-N 2.94Å; L512-L515 PolarHBondContact O-N 2.9Å; L512-E516 HydrophobicContact CD2-CG 4.3Å; L512-E516 WeakPolarHBondContact O-CB 3.26Å; L512-E516 WeakPolarHBondContact O-CG 3.47Å; L512-E516 PolarHBondContact O-N 3.08Å; L512-L530 HydrophobicContact CD1-CB 4.33Å; L512-K531 HydrophobicContact CD1-CG 4.16Å; L512-V534 HydrophobicContact CD1-CB 3.91Å; L512-V534 HydrophobicContact CD1-CG1 4.11Å; L512-V534 HydrophobicContact CD1-CG2 4.14Å
513K86Confident84.1Confident136 Ų13660.6 Ų60.659%0.59132%0.317SS*.Hα-helixtrans-59.5-40.8176.7-69.6-178.3179.6-178.30112.8L509 Y510 S517L509-K513 PolarHBondContact O-N 3.36Å; Y510-K513 PolarHBondContact O-N 3.35Å; K513-S517 WeakPolarHBondContact O-CB 3.3Å; K513-S517 PolarHBondContact O-N 3.06Å; K513-S517 VanDerWaalsContact O-N 3.09Å; K513-S517 PolarHBondContact O-OG 2.86Å
514Y85.7Confident83.1Confident41 Ų4162.8 Ų62.816%0.16134%0.335CS..Hα-helixtrans-67.2-42.6180178.6-93000112.1L419 L443 Y510 V511 L512 S517 N518L419-Y514 HydrophobicContact CD1-CD1 4.04Å; L419-Y514 HydrophobicContact CD1-CE1 4.25Å; L419-Y514 HydrophobicContact CD2-CD1 3.68Å; L419-Y514 HydrophobicContact CD2-CE1 4.43Å; L419-Y514 HydrophobicContact CD2-CG 3.82Å; L419-Y514 HydrophobicContact CG-CD1 4.42Å; L443-Y514 HydrophobicContact CD1-CD1 4.33Å; L443-Y514 HydrophobicContact CD1-CD2 3.9Å; L443-Y514 HydrophobicContact CD1-CE1 3.94Å; L443-Y514 HydrophobicContact CD1-CE2 3.45Å; L443-Y514 VanDerWaalsContact CD1-CE2 3.45Å; L443-Y514 HydrophobicContact CD1-CG 4.31Å; L443-Y514 VanDerWaalsContact CD1-CZ 3.48Å; L443-Y514 HydrophobicContact CD2-CE1 3.78Å; Y510-Y514 WeakPolarHBondContact O-CB 3.24Å; Y510-Y514 PolarHBondContact O-N 2.8Å; V511-Y514 PolarHBondContact O-N 2.81Å; L512-Y514 VanDerWaalsContact C-N 3.31Å; L512-Y514 PolarHBondContact O-N 2.94Å; Y514-S517 PolarHBondContact O-N 3.03Å; Y514-N518 WeakPolarHBondContact CE2-ND2 3.47Å; Y514-N518 VanDerWaalsContact CZ-ND2 3.26Å; Y514-N518 PolarHBondContact O-N 2.73Å; Y514-N518 PolarHBondContact O-ND2 3.45Å
515L84.4Confident82.4Confident0 Ų069.8 Ų69.80%037%0.367CS..Hα-helixtrans-73.6-34.6179.9-64.9170.1000111.7P486 V511 L512 S517 N518 S519 V522 L527 L530P486-L515 HydrophobicContact CB-CD2 4.14Å; V511-L515 HydrophobicContact CG1-CD1 3.72Å; V511-L515 HydrophobicContact CG1-CG 4.38Å; V511-L515 WeakPolarHBondContact O-CG 3.34Å; V511-L515 PolarHBondContact O-N 2.72Å; L512-L515 PolarHBondContact O-N 2.9Å; L515-S517 VanDerWaalsContact C-N 3.32Å; L515-S517 PolarHBondContact O-N 2.76Å; L515-N518 CarbonylContact O-C 3.57Å; L515-N518 PolarHBondContact O-N 2.94Å; L515-N518 VanDerWaalsContact O-N 3.17Å; L515-S519 PolarHBondContact O-N 3.11Å; L515-S519 VanDerWaalsContact O-N 3.15Å; L515-V522 HydrophobicContact CD2-CG1 4.27Å; L515-V522 HydrophobicContact CD2-CG2 3.64Å; L515-L527 HydrophobicContact CB-CD2 3.55Å; L515-L530 HydrophobicContact CD1-CD1 3.22Å
516E84Confident81.7Confident84 Ų8466.8 Ų66.839%0.39335%0.352SS..Hα-helixtrans-62.4-38.5170.8-75-179.315600112.4L512 N518 K531L512-E516 HydrophobicContact CD2-CG 4.3Å; L512-E516 WeakPolarHBondContact O-CB 3.26Å; L512-E516 WeakPolarHBondContact O-CG 3.47Å; L512-E516 PolarHBondContact O-N 3.08Å; E516-N518 PolarHBondContact O-N 2.76Å; E516-K531 WeakPolarHBondContact OE1-CE 3.33Å; E516-K531 IonicContact OE1-NZ 2.87Å
517S85.1Confident81Confident98 Ų9867 Ų6769%0.68535%0.353SS*.Hα-helixtrans-70.3-19.6176.5-55.30000112.9K513 Y514 L515K513-S517 WeakPolarHBondContact O-CB 3.3Å; K513-S517 PolarHBondContact O-N 3.06Å; K513-S517 VanDerWaalsContact O-N 3.09Å; K513-S517 PolarHBondContact O-OG 2.86Å; Y514-S517 PolarHBondContact O-N 3.03Å; L515-S517 VanDerWaalsContact C-N 3.32Å; L515-S517 PolarHBondContact O-N 2.76Å
518N82.6Confident80.4Confident49 Ų4972.2 Ų72.226%0.26238%0.376SS..THydrogen-bonded Turntrans-120.841.1-180-62.6-64.1000111Y514 L515 E516 D520 Q521Y514-N518 WeakPolarHBondContact CE2-ND2 3.47Å; Y514-N518 VanDerWaalsContact CZ-ND2 3.26Å; Y514-N518 PolarHBondContact O-N 2.73Å; Y514-N518 PolarHBondContact O-ND2 3.45Å; L515-N518 CarbonylContact O-C 3.57Å; L515-N518 PolarHBondContact O-N 2.94Å; L515-N518 VanDerWaalsContact O-N 3.17Å; E516-N518 PolarHBondContact O-N 2.76Å; N518-D520 PolarHBondContact O-N 2.93Å; N518-D520 VanDerWaalsContact O-N 3.09Å; N518-Q521 PolarHBondContact O-N 2.84Å
519S74.3Confident79.8Confident60 Ų6069.7 Ų69.742%0.4237%0.365SS..G310 helixtrans-58.1-24.3-175.354.20000114.1L515 Q521L515-S519 PolarHBondContact O-N 3.11Å; L515-S519 VanDerWaalsContact O-N 3.15Å; S519-Q521 VanDerWaalsContact C-N 3.35Å
520D77.1Confident79.3Confident159 Ų15965.4 Ų65.485%0.8534%0.342SS*.G310 helixtrans-75-24.1-176-57.3-19.4000113.1N518N518-D520 PolarHBondContact O-N 2.93Å; N518-D520 VanDerWaalsContact O-N 3.09Å
521Q72.4Confident78.7Confident160 Ų16066.4 Ų66.475%0.74835%0.348SS*.G310 helixtrans-100.5-2.4-175.8-64.2-177.94.500113.1N518 S519N518-Q521 PolarHBondContact O-N 2.84Å; S519-Q521 VanDerWaalsContact C-N 3.35Å
522V75.4Confident78.2Confident16 Ų1673.3 Ų73.310%0.09738%0.381CS..SBendtrans-123.9132.4-168.4-178.90000109.6L515 T526 L527L515-V522 HydrophobicContact CD2-CG1 4.27Å; L515-V522 HydrophobicContact CD2-CG2 3.64Å; V522-T526 HydrophobicContact CG1-CG2 3.89Å; V522-L527 HydrophobicContact CG1-CD2 4.46Å; V522-L527 HydrophobicContact CG1-CG 4.2Å
523P79.3Confident77.5Confident61 Ų6174 Ų7440%0.39639%0.386SS..  trans-57.4141.2175.6-24.933.4000112.6A487 Q525 T526 L527A487-P523 HydrophobicContact CB-CG 4.36Å; P523-Q525 PolarHBondContact O-N 2.85Å; P523-T526 WeakPolarHBondContact O-CB 3.23Å; P523-T526 PolarHBondContact O-N 2.81Å; P523-L527 PolarHBondContact O-N 3.39Å
524S72.2Confident76.5Confident77 Ų7768 Ų6854%0.53836%0.361SS..Hα-helixtrans-56.6-35.6179.352.40000112.9T526 L527 E528S524-T526 VanDerWaalsContact C-N 3.29Å; S524-T526 PolarHBondContact O-N 2.82Å; S524-L527 PolarHBondContact O-N 3.46Å; S524-E528 WeakPolarHBondContact O-CG 3.38Å; S524-E528 PolarHBondContact O-N 3.13Å
525Q74.9Confident75.3Confident149 Ų14967.6 Ų67.670%0.69637%0.369SS*.Hα-helixtrans-58.5-38.3176.1-64.9179.5-1000112.8P523 S529P523-Q525 PolarHBondContact O-N 2.85Å; Q525-S529 WeakPolarHBondContact O-CB 3.43Å; Q525-S529 PolarHBondContact O-N 2.8Å; Q525-S529 VanDerWaalsContact O-N 3.17Å
526T73.5Confident74Confident1 Ų170.1 Ų70.11%0.00639%0.39CS..Hα-helixtrans-65.1-46.4178.4-48.40000110.3A487 V490 V522 P523 S524 L530A487-T526 PolarHBondContact O-OG1 2.69Å; V490-T526 HydrophobicContact CB-CG2 4.48Å; V490-T526 HydrophobicContact CG2-CG2 3.93Å; V490-T526 VanDerWaalsContact CG2-OG1 3.31Å; V490-T526 WeakPolarHBondContact CG2-OG1 3.34Å; V522-T526 HydrophobicContact CG1-CG2 3.89Å; P523-T526 WeakPolarHBondContact O-CB 3.23Å; P523-T526 PolarHBondContact O-N 2.81Å; S524-T526 VanDerWaalsContact C-N 3.29Å; S524-T526 PolarHBondContact O-N 2.82Å; T526-L530 HydrophobicContact CG2-CD1 4.18Å; T526-L530 WeakPolarHBondContact O-CD1 3.38Å; T526-L530 PolarHBondContact O-N 3.38Å
527L74.2Confident72.8Confident25 Ų2571.1 Ų71.113%0.13140%0.395CS..Hα-helixtrans-66.6-40.7-179.8-68.5173.2000112.9L515 V522 P523 S524 L530 K531L515-L527 HydrophobicContact CB-CD2 3.55Å; V522-L527 HydrophobicContact CG1-CD2 4.46Å; V522-L527 HydrophobicContact CG1-CG 4.2Å; P523-L527 PolarHBondContact O-N 3.39Å; S524-L527 PolarHBondContact O-N 3.46Å; L527-L530 PolarHBondContact O-N 3.3Å; L527-K531 WeakPolarHBondContact O-CG 3.4Å; L527-K531 PolarHBondContact O-N 3.16Å
528E76.7Confident71.2Confident116 Ų11674.4 Ų74.454%0.54240%0.397SS..Hα-helixtrans-67.1-43179.8-73.2174.6-169.500112.2S524 L530 K531 Q532S524-E528 WeakPolarHBondContact O-CG 3.38Å; S524-E528 PolarHBondContact O-N 3.13Å; E528-L530 VanDerWaalsContact C-N 3.31Å; E528-L530 PolarHBondContact O-N 3.07Å; E528-K531 PolarHBondContact O-N 3.31Å; E528-Q532 WeakPolarHBondContact O-CG 3.4Å; E528-Q532 PolarHBondContact O-N 3.37Å
529S76Confident69.6Low25 Ų2580.6 Ų80.618%0.17542%0.424CS..Hα-helixtrans-61.6-39.1176.3-177.60000112.1I491 Q525 T533I491-S529 PolarHBondContact O-OG 3.33Å; Q525-S529 WeakPolarHBondContact O-CB 3.43Å; Q525-S529 PolarHBondContact O-N 2.8Å; Q525-S529 VanDerWaalsContact O-N 3.17Å; S529-T533 WeakPolarHBondContact O-CG2 3.44Å; S529-T533 PolarHBondContact O-N 2.91Å; S529-T533 PolarHBondContact O-OG1 2.95Å
530L73.7Confident68.4Low1 Ų181.7 Ų81.71%0.00543%0.431CS..Hα-helixtrans-64.1-43.3172.7-84155.7000113.4I491 A507 V511 L512 L515 T526 L527 E528 T533 V534I491-L530 HydrophobicContact CD1-CB 4.47Å; I491-L530 HydrophobicContact CD1-CD2 3.44Å; I491-L530 VanDerWaalsContact CD1-CD2 3.44Å; I491-L530 HydrophobicContact CD1-CG 3.81Å; I491-L530 HydrophobicContact CG1-CD2 4.04Å; I491-L530 HydrophobicContact CG1-CG 4.18Å; A507-L530 HydrophobicContact CB-CD2 3.42Å; A507-L530 VanDerWaalsContact CB-CD2 3.42Å; V511-L530 HydrophobicContact CG1-CD2 4.25Å; L512-L530 HydrophobicContact CD1-CB 4.33Å; L515-L530 HydrophobicContact CD1-CD1 3.22Å; T526-L530 HydrophobicContact CG2-CD1 4.18Å; T526-L530 WeakPolarHBondContact O-CD1 3.38Å; T526-L530 PolarHBondContact O-N 3.38Å; L527-L530 PolarHBondContact O-N 3.3Å; E528-L530 VanDerWaalsContact C-N 3.31Å; E528-L530 PolarHBondContact O-N 3.07Å; L530-T533 PolarHBondContact O-OG1 2.95Å; L530-V534 VanDerWaalsContact O-CB 3.31Å; L530-V534 WeakPolarHBondContact O-CB 3.11Å; L530-V534 VanDerWaalsContact O-CG2 3.31Å; L530-V534 WeakPolarHBondContact O-CG2 3.42Å; L530-V534 PolarHBondContact O-N 3.27Å; L530-V534 VanDerWaalsContact O-N 3.12Å
531K75.9Confident66.8Low109 Ų10977.2 Ų77.247%0.47442%0.423SS..Hα-helixtrans-65.4-39.5178.6-76176.5176.9-176.20112.6L512 E516 L527 E528 G535L512-K531 HydrophobicContact CD1-CG 4.16Å; E516-K531 WeakPolarHBondContact OE1-CE 3.33Å; E516-K531 IonicContact OE1-NZ 2.87Å; L527-K531 WeakPolarHBondContact O-CG 3.4Å; L527-K531 PolarHBondContact O-N 3.16Å; E528-K531 PolarHBondContact O-N 3.31Å; K531-G535 WeakPolarHBondContact O-CA 3.36Å; K531-G535 PolarHBondContact O-N 3.25Å
532Q74.1Confident65Low146 Ų14677.6 Ų77.668%0.68243%0.427SS*.Hα-helixtrans-67.3-43-179.6-72.1178.4-2.900112.6E528 A536E528-Q532 WeakPolarHBondContact O-CG 3.4Å; E528-Q532 PolarHBondContact O-N 3.37Å; Q532-A536 WeakPolarHBondContact O-CB 3.23Å; Q532-A536 PolarHBondContact O-N 3.17Å; Q532-A536 VanDerWaalsContact O-N 3.1Å
533T69.4Low63Low41 Ų4182 Ų8225%0.25247%0.465SS..Hα-helixtrans-76.4-44.4-176.148.60000112.7I491 S529 L530 A536 E537I491-T533 HydrophobicContact CD1-CG2 4.42Å; I491-T533 WeakPolarHBondContact CD1-OG1 3.27Å; I491-T533 HydrophobicContact CG2-CG2 3.95Å; S529-T533 WeakPolarHBondContact O-CG2 3.44Å; S529-T533 PolarHBondContact O-N 2.91Å; S529-T533 PolarHBondContact O-OG1 2.95Å; L530-T533 PolarHBondContact O-OG1 2.95Å; T533-A536 PolarHBondContact O-N 3.19Å; T533-E537 PolarHBondContact O-N 2.74Å
534V66.1Low60.8Low10 Ų1085.2 Ų85.26%0.06148%0.483CS..Hα-helixtrans-72.8-31.7176.9176.90000111.7L509 L512 L530 K538L509-V534 HydrophobicContact CD2-CG1 3.38Å; L512-V534 HydrophobicContact CD1-CB 3.91Å; L512-V534 HydrophobicContact CD1-CG1 4.11Å; L512-V534 HydrophobicContact CD1-CG2 4.14Å; L530-V534 VanDerWaalsContact O-CB 3.31Å; L530-V534 WeakPolarHBondContact O-CB 3.11Å; L530-V534 VanDerWaalsContact O-CG2 3.31Å; L530-V534 WeakPolarHBondContact O-CG2 3.42Å; L530-V534 PolarHBondContact O-N 3.27Å; L530-V534 VanDerWaalsContact O-N 3.12Å; V534-K538 PolarHBondContact O-N 2.71Å
535G60.2Low58.7Low33 Ų3390.6 Ų90.634%0.3450%0.5SS..Hα-helixtrans-64-43.5171.500000112.4K531 E537 K538 E539K531-G535 WeakPolarHBondContact O-CA 3.36Å; K531-G535 PolarHBondContact O-N 3.25Å; G535-E537 VanDerWaalsContact C-N 3.34Å; G535-E537 PolarHBondContact O-N 2.74Å; G535-K538 PolarHBondContact O-N 2.75Å; G535-E539 PolarHBondContact O-N 2.86Å
536A57.9Low56.5Low53 Ų5392.7 Ų92.744%0.43851%0.509SS..Hα-helixtrans-66-29.9176.800000113.7Q532 T533 S540Q532-A536 WeakPolarHBondContact O-CB 3.23Å; Q532-A536 PolarHBondContact O-N 3.17Å; Q532-A536 VanDerWaalsContact O-N 3.1Å; T533-A536 PolarHBondContact O-N 3.19Å; A536-S540 PolarHBondContact O-N 3.11Å; A536-S540 PolarHBondContact O-OG 3.11Å
537E56.8Low54.3Low105 Ų105106.1 Ų106.149%0.49157%0.568SS.*Hα-helixtrans-75.7-30.3174.1-78.7-167.6158.300114N506 T533 G535 E539 S540 G541N506-E537 PolarHBondContact ND2-OE1 3.23Å; N506-E537 PolarHBondContact ND2-OE2 3.3Å; T533-E537 PolarHBondContact O-N 2.74Å; G535-E537 VanDerWaalsContact C-N 3.34Å; G535-E537 PolarHBondContact O-N 2.74Å; E537-E539 PolarHBondContact O-N 3.26Å; E537-S540 WeakPolarHBondContact CA-OG 3.42Å; E537-S540 PolarHBondContact O-N 3.29Å; E537-S540 PolarHBondContact O-OG 3.41Å; E537-G541 PolarHBondContact O-N 3.35Å
538K53.4Low53.3Low167 Ų167110.2 Ų110.273%0.72659%0.589SS**Hα-helixtrans-64.5-30171.4-91.3-178.5174.2178.70112.5V534 G535V534-K538 PolarHBondContact O-N 2.71Å; G535-K538 PolarHBondContact O-N 2.75Å
539E48.1Very low52.1Low179 Ų179109.8 Ų109.884%0.83659%0.592SS**Hα-helixtrans-83.5-20.1176.9-69.5-178.3167.400113.2G535 E537G535-E539 PolarHBondContact O-N 2.86Å; E537-E539 PolarHBondContact O-N 3.26Å
540S49.3Very low50.8Low82 Ų82114.6 Ų114.657%0.57362%0.615SS**Hα-helixtrans-1000.6-175.967.80000116.2A536 E537 M542A536-S540 PolarHBondContact O-N 3.11Å; A536-S540 PolarHBondContact O-OG 3.11Å; E537-S540 WeakPolarHBondContact CA-OG 3.42Å; E537-S540 PolarHBondContact O-N 3.29Å; E537-S540 PolarHBondContact O-OG 3.41Å; S540-M542 PolarHBondContact O-N 3.45Å
541G43.5Very low49.4Very low66 Ų66121.2 Ų121.268%0.6865%0.651SS**  trans42.568.5157.200000116.9E537E537-G541 PolarHBondContact O-N 3.35Å
542M33.4Very low47.8Very low168 Ų168122 Ų12283%0.82866%0.662SS**  trans-123.3113.3159.1-82.4-172.26100110.2S540 V544S540-M542 PolarHBondContact O-N 3.45Å; M542-V544 PolarHBondContact O-N 2.74Å
543A34.6Very low46Very low107 Ų107120.4 Ų120.488%0.88466%0.661SS**  trans-60114171.600000110
544V32.8Very low44.3Very low129 Ų129126.1 Ų126.178%0.78269%0.69SS**  trans-102.5112.7164.5179.50000107.2M542 Q546M542-V544 PolarHBondContact O-N 2.74Å; V544-Q546 PolarHBondContact O-N 3.19Å
545E28.5Very low42.7Very low191 Ų191135 Ų13589%0.89374%0.738SS**  trans-52.3124.3174-76.4178138.900110.8
546Q28.2Very low41.2Very low192 Ų192143.5 Ų143.590%0.89777%0.772SS**  trans-75.3127.6167.3-68.6178.5-12.300109.4V544V544-Q546 PolarHBondContact O-N 3.19Å
547K27.9Very low39.7Very low283 Ų283151.7 Ų151.7100%1.2380%0.802SS**  trans-131.80151.2-102.8-172.7178.5178.20109.8

Retrieved 547 of 547 residues in 186.4 ms (Link to these results)