A0A087YIW7_POEFO Loading...

Fibulin-7-like

AlphaFold DB , UniProt , Accession A0A087YIW7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 446 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
1M38.8Very low49.4Very low194 Ų194101.3 Ų101.396%0.95658%0.575SS**  0-51.10-80.4-160.7-92.400113.6A3 S4 A5M1-A3 PolarHBondContact O-N 3.4Å; M1-S4 PolarHBondContact O-N 2.85Å; M1-A5 PolarHBondContact O-N 2.95Å
2F36.3Very low50.3Low187 Ų18799.3 Ų99.382%0.8257%0.566SS**Hα-helixtrans-62.4-36.7176.8-81.4-84.1000113.9S4 A5 V6F2-S4 VanDerWaalsContact C-N 3.32Å; F2-S4 PolarHBondContact O-N 3.28Å; F2-A5 PolarHBondContact O-N 3.23Å; F2-V6 WeakPolarHBondContact O-CG2 3.02Å; F2-V6 PolarHBondContact O-N 2.77Å
3A38.3Very low50.9Low69 Ų69103.9 Ų103.957%0.5757%0.571SS**Hα-helixtrans-62.3-36.3176.300000113.3M1 N7M1-A3 PolarHBondContact O-N 3.4Å; A3-N7 WeakPolarHBondContact O-CB 3.41Å; A3-N7 PolarHBondContact O-N 3.21Å; A3-N7 VanDerWaalsContact O-N 3.12Å; A3-N7 PolarHBondContact O-ND2 3.3Å
4S46.7Very low51.2Low83 Ų83103.7 Ų103.758%0.5857%0.574SS**Hα-helixtrans-72.1-32.1179.4-51.10000112.7M1 F2 L8M1-S4 PolarHBondContact O-N 2.85Å; F2-S4 VanDerWaalsContact C-N 3.32Å; F2-S4 PolarHBondContact O-N 3.28Å; S4-L8 WeakPolarHBondContact O-CB 3.29Å; S4-L8 PolarHBondContact O-N 2.76Å
5A49.2Very low51.4Low47 Ų47100.6 Ų100.639%0.38856%0.561SS.*Hα-helixtrans-75.3-38.1177.600000112.2M1 F2 L8 I9M1-A5 PolarHBondContact O-N 2.95Å; F2-A5 PolarHBondContact O-N 3.23Å; A5-L8 PolarHBondContact O-N 3.09Å; A5-I9 VanDerWaalsContact O-CG1 3.29Å; A5-I9 WeakPolarHBondContact O-CG1 3.44Å; A5-I9 PolarHBondContact O-N 3.41Å
6V53.5Low51.7Low94 Ų9499.8 Ų99.857%0.5757%0.565SS**Hα-helixtrans-67.5-41.3176.5175.60000110.9F2 L8 I9 A10F2-V6 WeakPolarHBondContact O-CG2 3.02Å; F2-V6 PolarHBondContact O-N 2.77Å; V6-L8 VanDerWaalsContact C-N 3.32Å; V6-L8 PolarHBondContact O-N 3.4Å; V6-I9 PolarHBondContact O-N 2.79Å; V6-A10 WeakPolarHBondContact O-CB 3.45Å; V6-A10 PolarHBondContact O-N 3.19Å
7N51.1Low51.7Low105 Ų105100.5 Ų100.556%0.56157%0.566SS**Hα-helixtrans-64.1-35.1174.1-78.7-22.2000112.6A3 L11A3-N7 WeakPolarHBondContact O-CB 3.41Å; A3-N7 PolarHBondContact O-N 3.21Å; A3-N7 VanDerWaalsContact O-N 3.12Å; A3-N7 PolarHBondContact O-ND2 3.3Å; N7-L11 WeakPolarHBondContact O-CB 3.03Å; N7-L11 PolarHBondContact O-N 3.28Å
8L55.5Low51.6Low65 Ų65102.4 Ų102.434%0.3457%0.569SS.*Hα-helixtrans-69.8-40.6177.2-148.284.9000112.2S4 A5 V6 L11 V12 M34S4-L8 WeakPolarHBondContact O-CB 3.29Å; S4-L8 PolarHBondContact O-N 2.76Å; A5-L8 PolarHBondContact O-N 3.09Å; V6-L8 VanDerWaalsContact C-N 3.32Å; V6-L8 PolarHBondContact O-N 3.4Å; L8-L11 PolarHBondContact O-N 2.82Å; L8-V12 WeakPolarHBondContact O-CG2 3.33Å; L8-V12 PolarHBondContact O-N 3.07Å; L8-V12 VanDerWaalsContact O-N 3.07Å; L8-M34 HydrophobicContact CD1-CE 3.91Å; L8-M34 HydrophobicContact CD1-SD 4.46Å
9I61.2Low51.5Low118 Ų118104.2 Ų104.261%0.60559%0.586SS**Hα-helixtrans-67.3-40.3176.5-66.9165.8000110.2A5 V6 V12 Y13A5-I9 VanDerWaalsContact O-CG1 3.29Å; A5-I9 WeakPolarHBondContact O-CG1 3.44Å; A5-I9 PolarHBondContact O-N 3.41Å; V6-I9 PolarHBondContact O-N 2.79Å; I9-V12 PolarHBondContact O-N 3.46Å; I9-Y13 WeakPolarHBondContact O-CB 3.36Å; I9-Y13 PolarHBondContact O-N 3.27Å
10A56.2Low51.3Low47 Ų47103.1 Ų103.139%0.38859%0.591SS.*Hα-helixtrans-62.3-43.2174.400000111.9V6 V12 Y13 V14V6-A10 WeakPolarHBondContact O-CB 3.45Å; V6-A10 PolarHBondContact O-N 3.19Å; A10-V12 PolarHBondContact O-N 2.99Å; A10-Y13 PolarHBondContact O-N 2.02Å; A10-V14 WeakPolarHBondContact O-CB 3.48Å; A10-V14 WeakPolarHBondContact O-CG2 3.42Å; A10-V14 PolarHBondContact O-N 3.39Å
11L56.5Low50.8Low105 Ų105106.7 Ų106.755%0.5560%0.6SS.*Hα-helixtrans-62-42.9176.6-113.7129.9000112.7N7 L8 Y13 V14 C15N7-L11 WeakPolarHBondContact O-CB 3.03Å; N7-L11 PolarHBondContact O-N 3.28Å; L8-L11 PolarHBondContact O-N 2.82Å; L11-Y13 VanDerWaalsContact C-N 3.32Å; L11-Y13 PolarHBondContact O-N 3.49Å; L11-V14 PolarHBondContact O-N 3.32Å; L11-C15 PolarHBondContact O-N 3Å; L11-C15 PolarHBondContact O-SG 2.82Å; L11-C15 VanDerWaalsContact O-SG 3.39Å
12V59.7Low51.4Low77 Ų77102 Ų10247%0.46760%0.601SS.*Hα-helixtrans-65.7-36.8176.9173.10000111.5L8 I9 A10 S16L8-V12 WeakPolarHBondContact O-CG2 3.33Å; L8-V12 PolarHBondContact O-N 3.07Å; L8-V12 VanDerWaalsContact O-N 3.07Å; I9-V12 PolarHBondContact O-N 3.46Å; A10-V12 PolarHBondContact O-N 2.99Å; V12-S16 PolarHBondContact O-N 3.38Å; V12-S16 PolarHBondContact O-OG 2.98Å
13Y58.6Low51.8Low160 Ų160101.1 Ų101.163%0.62760%0.6SS**Hα-helixtrans-71.1-36.8177.8-143.9-97000112.2I9 A10 L11 S16 L17I9-Y13 WeakPolarHBondContact O-CB 3.36Å; I9-Y13 PolarHBondContact O-N 3.27Å; A10-Y13 PolarHBondContact O-N 2.02Å; L11-Y13 VanDerWaalsContact C-N 3.32Å; L11-Y13 PolarHBondContact O-N 3.49Å; Y13-S16 PolarHBondContact O-N 3.05Å; Y13-S16 PolarHBondContact O-OG 3.07Å; Y13-L17 HydrophobicContact CD1-CD1 3.59Å; Y13-L17 HydrophobicContact CE1-CD1 3.59Å; Y13-L17 PolarHBondContact O-N 2.71Å
14V55.6Low52.4Low101 Ų101106 Ų10661%0.61262%0.616SS**Hα-helixtrans-69-42.5176.7170.30000111.3A10 L11 S16 L17 H18A10-V14 WeakPolarHBondContact O-CB 3.48Å; A10-V14 WeakPolarHBondContact O-CG2 3.42Å; A10-V14 PolarHBondContact O-N 3.39Å; L11-V14 PolarHBondContact O-N 3.32Å; V14-S16 VanDerWaalsContact C-N 3.26Å; V14-S16 PolarHBondContact O-N 3.5Å; V14-L17 PolarHBondContact O-N 3.01Å; V14-H18 PolarHBondContact O-N 2.92Å
15C54.6Low52.7Low57 Ų57106.2 Ų106.239%0.38562%0.616SS.*Hα-helixtrans-68.1-19.4177.9-72.30000114.3L11L11-C15 PolarHBondContact O-N 3Å; L11-C15 PolarHBondContact O-SG 2.82Å; L11-C15 VanDerWaalsContact O-SG 3.39Å
16S54.9Low53Low88 Ų88106.9 Ų106.962%0.61562%0.617SS**Hα-helixtrans-92.1-14.4179.3350000113.9V12 Y13 V14V12-S16 PolarHBondContact O-N 3.38Å; V12-S16 PolarHBondContact O-OG 2.98Å; Y13-S16 PolarHBondContact O-N 3.05Å; Y13-S16 PolarHBondContact O-OG 3.07Å; V14-S16 VanDerWaalsContact C-N 3.26Å; V14-S16 PolarHBondContact O-N 3.5Å
17L52.8Low53.7Low111 Ų111107.4 Ų107.458%0.58162%0.617SS**Hα-helixtrans-104.8-19.8-176.7-75.2166.7000114.6Y13 V14Y13-L17 HydrophobicContact CD1-CD1 3.59Å; Y13-L17 HydrophobicContact CE1-CD1 3.59Å; Y13-L17 PolarHBondContact O-N 2.71Å; V14-L17 PolarHBondContact O-N 3.01Å
18H50.1Low53.9Low135 Ų135111.7 Ų111.763%0.62563%0.625SS**  trans-141.3101.3-179.1-88.454.6000112.1V14 A20V14-H18 PolarHBondContact O-N 2.92Å; H18-A20 VanDerWaalsContact C-N 3.25Å; H18-A20 PolarHBondContact O-N 2.82Å
19P49.7Very low54Low136 Ų136116 Ų11688%0.88364%0.643SS**THydrogen-bonded Turntrans-82.56.5177.231.6-32.6000114.1
20A47.4Very low53.8Low83 Ų83115.8 Ų115.869%0.68664%0.64SS**THydrogen-bonded Turntrans-110.311.3-163.900000116.2H18H18-A20 VanDerWaalsContact C-N 3.25Å; H18-A20 PolarHBondContact O-N 2.82Å
21F41.2Very low53.9Low178 Ų178116.9 Ų116.978%0.78164%0.639SS**SBendtrans-119.6120.4170.6-89.3-87.9000109.9Q23F21-Q23 VanDerWaalsContact C-N 3.32Å; F21-Q23 PolarHBondContact O-N 3.42Å
22G49.6Very low54.1Low96 Ų96117.1 Ų117.199%0.9964%0.637SS**  trans-67.878.5-171.700000113.9
23Q46.5Very low54.4Low169 Ų169115.1 Ų115.179%0.7963%0.632SS**  trans-125.1127.9169.2-148.3146.4-15.700108F21 C25F21-Q23 VanDerWaalsContact C-N 3.32Å; F21-Q23 PolarHBondContact O-N 3.42Å; Q23-C25 PolarHBondContact O-N 2.92Å
24D50.2Low54.4Low172 Ų172112.2 Ų112.292%0.9263%0.625SS**  trans-55.1108.7-176.3-78-47.7000111
25C52.2Low54.5Low86 Ų86112.6 Ų112.658%0.58162%0.623SS**PPolyproline II helixtrans-79.5130.7176.3-780000110.1Q23Q23-C25 PolarHBondContact O-N 2.92Å
26P57Low55.1Low62 Ų62117.3 Ų117.340%0.40364%0.637SS.*PPolyproline II helixtrans-64.6140178.423.9-31000111.4E30 I31P26-E30 WeakPolarHBondContact CA-OE2 3.49Å; P26-E30 HydrophobicContact CB-CB 4.41Å; P26-E30 WeakPolarHBondContact CB-OE2 3.37Å; P26-I31 HydrophobicContact CB-CG1 4.48Å; P26-I31 HydrophobicContact CG-CD1 4.45Å; P26-I31 HydrophobicContact CG-CG1 4.3Å
27N66.8Low55.4Low105 Ų105119.4 Ų119.456%0.56164%0.637SS**PPolyproline II helixtrans-69153.8-173.4-168.74.3000110.7Q29 E30 I31N27-Q29 PolarHBondContact O-N 3.02Å; N27-E30 PolarHBondContact N-OE2 3.09Å; N27-E30 WeakPolarHBondContact O-CB 3.33Å; N27-E30 PolarHBondContact O-N 2.55Å; N27-I31 PolarHBondContact O-N 3.3Å
28R56.2Low55.7Low194 Ų194117.1 Ų117.173%0.73263%0.628SS**Hα-helixtrans-53.4-29.8-177.2-171.6176.2178.5-179.10.4113.3Q32R28-Q32 WeakPolarHBondContact O-CG 3.35Å; R28-Q32 PolarHBondContact O-N 3Å
29Q57.1Low56.3Low155 Ų155117 Ų11772%0.72463%0.627SS**Hα-helixtrans-72.8-34.6175.8-69.2-169.4-18.100113.2N27 Q32 G33N27-Q29 PolarHBondContact O-N 3.02Å; Q29-Q32 PolarHBondContact O-N 3.49Å; Q29-G33 PolarHBondContact O-N 3.31Å
30E56.5Low57.1Low115 Ų115118.1 Ų118.154%0.53762%0.618SS.*Hα-helixtrans-70.6-41.9177.3-66.8174.815100110.9P26 N27 Q32 G33 M34P26-E30 WeakPolarHBondContact CA-OE2 3.49Å; P26-E30 HydrophobicContact CB-CB 4.41Å; P26-E30 WeakPolarHBondContact CB-OE2 3.37Å; N27-E30 PolarHBondContact N-OE2 3.09Å; N27-E30 WeakPolarHBondContact O-CB 3.33Å; N27-E30 PolarHBondContact O-N 2.55Å; E30-Q32 VanDerWaalsContact C-N 3.32Å; E30-Q32 PolarHBondContact O-N 3.04Å; E30-G33 PolarHBondContact O-N 2.91Å; E30-G33 VanDerWaalsContact O-N 3.13Å; E30-M34 WeakPolarHBondContact O-CG 3.49Å; E30-M34 PolarHBondContact O-N 3.27Å
31I58.3Low57.6Low70 Ų70119.7 Ų119.736%0.35962%0.615SS.*Hα-helixtrans-61.3-42.3175.1-61.6176.9000110.6P26 N27 G33 M34 L35P26-I31 HydrophobicContact CB-CG1 4.48Å; P26-I31 HydrophobicContact CG-CD1 4.45Å; P26-I31 HydrophobicContact CG-CG1 4.3Å; N27-I31 PolarHBondContact O-N 3.3Å; I31-G33 VanDerWaalsContact C-N 3.34Å; I31-G33 PolarHBondContact O-N 2.91Å; I31-M34 PolarHBondContact O-N 2.89Å; I31-L35 WeakPolarHBondContact O-CB 3.37Å; I31-L35 PolarHBondContact O-N 2.87Å
32Q60.4Low58.2Low110 Ų110116.6 Ų116.651%0.51461%0.605SS.*Hα-helixtrans-66.3-34.6175.5-77-172-20.200113R28 Q29 E30 K36R28-Q32 WeakPolarHBondContact O-CG 3.35Å; R28-Q32 PolarHBondContact O-N 3Å; Q29-Q32 PolarHBondContact O-N 3.49Å; E30-Q32 VanDerWaalsContact C-N 3.32Å; E30-Q32 PolarHBondContact O-N 3.04Å; Q32-K36 WeakPolarHBondContact O-CB 3.44Å; Q32-K36 WeakPolarHBondContact O-CG 3.48Å; Q32-K36 PolarHBondContact O-N 3.35Å; Q32-K36 VanDerWaalsContact O-N 3.1Å
33G67.1Low59Low35 Ų35114.9 Ų114.936%0.36158%0.579SS.*Hα-helixtrans-64.1-49.4173.300000112Q29 E30 I31 L35 K36 Q37Q29-G33 PolarHBondContact O-N 3.31Å; E30-G33 PolarHBondContact O-N 2.91Å; E30-G33 VanDerWaalsContact O-N 3.13Å; I31-G33 VanDerWaalsContact C-N 3.34Å; I31-G33 PolarHBondContact O-N 2.91Å; G33-L35 PolarHBondContact O-N 2.89Å; G33-K36 PolarHBondContact O-N 2.04Å; G33-Q37 WeakPolarHBondContact O-CB 3.39Å; G33-Q37 PolarHBondContact O-N 3.26Å
34M58.5Low59.8Low99 Ų99109.7 Ų109.749%0.48856%0.564SS.*Hα-helixtrans-62.9-40.8177.7-68.3-16479.300112.1L8 E30 I31 K36 Q37 V38L8-M34 HydrophobicContact CD1-CE 3.91Å; L8-M34 HydrophobicContact CD1-SD 4.46Å; E30-M34 WeakPolarHBondContact O-CG 3.49Å; E30-M34 PolarHBondContact O-N 3.27Å; I31-M34 PolarHBondContact O-N 2.89Å; M34-K36 PolarHBondContact O-N 3.47Å; M34-Q37 PolarHBondContact O-N 2.88Å; M34-V38 WeakPolarHBondContact O-CG2 3.28Å; M34-V38 PolarHBondContact O-N 3.45Å
35L57.4Low60.5Low108 Ų108107.6 Ų107.657%0.56555%0.549SS*.Hα-helixtrans-64.1-42.1177.8-144.7100.7000111.7I31 G33 Q37 V38 Q39I31-L35 WeakPolarHBondContact O-CB 3.37Å; I31-L35 PolarHBondContact O-N 2.87Å; G33-L35 PolarHBondContact O-N 2.89Å; L35-Q37 VanDerWaalsContact C-N 3.3Å; L35-Q37 PolarHBondContact O-N 3.33Å; L35-V38 PolarHBondContact O-N 3.4Å; L35-Q39 VanDerWaalsContact O-CB 3.31Å; L35-Q39 WeakPolarHBondContact O-CB 3.19Å; L35-Q39 PolarHBondContact O-N 2.95Å
36K67Low61.1Low156 Ų156109.6 Ų109.668%0.67855%0.549SS*.Hα-helixtrans-63.1-37.2174.6-78.5178.3178.81780111.8Q32 G33 M34 K40Q32-K36 WeakPolarHBondContact O-CB 3.44Å; Q32-K36 WeakPolarHBondContact O-CG 3.48Å; Q32-K36 PolarHBondContact O-N 3.35Å; Q32-K36 VanDerWaalsContact O-N 3.1Å; G33-K36 PolarHBondContact O-N 2.04Å; M34-K36 PolarHBondContact O-N 3.47Å; K36-K40 VanDerWaalsContact O-CB 3.3Å; K36-K40 WeakPolarHBondContact O-CB 3.23Å; K36-K40 PolarHBondContact O-N 3.05Å
37Q60.9Low61.6Low132 Ų132109.5 Ų109.562%0.61755%0.554SS**Hα-helixtrans-71.2-41.4179-163.5161.4-2.100111.9G33 M34 L35 K40 L41G33-Q37 WeakPolarHBondContact O-CB 3.39Å; G33-Q37 PolarHBondContact O-N 3.26Å; M34-Q37 PolarHBondContact O-N 2.88Å; L35-Q37 VanDerWaalsContact C-N 3.3Å; L35-Q37 PolarHBondContact O-N 3.33Å; Q37-K40 PolarHBondContact O-N 3.11Å; Q37-L41 WeakPolarHBondContact O-CG 3.47Å; Q37-L41 PolarHBondContact O-N 3.47Å
38V60.8Low61.4Low64 Ų64108 Ų10839%0.38855%0.552SS.*Hα-helixtrans-62.2-43.7172.4169.60000110.8M34 L35 K40 L41 L42M34-V38 WeakPolarHBondContact O-CG2 3.28Å; M34-V38 PolarHBondContact O-N 3.45Å; L35-V38 PolarHBondContact O-N 3.4Å; V38-K40 VanDerWaalsContact C-N 3.34Å; V38-K40 PolarHBondContact O-N 3.09Å; V38-L41 PolarHBondContact O-N 2.78Å; V38-L42 HydrophobicContact CG1-CD1 3.69Å; V38-L42 WeakPolarHBondContact O-CB 3.09Å; V38-L42 PolarHBondContact O-N 2.92Å
39Q62.7Low61.4Low132 Ų132101.7 Ų101.762%0.61754%0.537SS*.Hα-helixtrans-68.8-31.6178.3-166.5144.57.600112.9L35 S43L35-Q39 VanDerWaalsContact O-CB 3.31Å; L35-Q39 WeakPolarHBondContact O-CB 3.19Å; L35-Q39 PolarHBondContact O-N 2.95Å; Q39-S43 WeakPolarHBondContact O-CB 3.28Å; Q39-S43 PolarHBondContact O-N 2.91Å; Q39-S43 PolarHBondContact O-OG 2.68Å
40K66.3Low62Low160 Ų16098.3 Ų98.370%0.69652%0.523SS*.Hα-helixtrans-69.2-37.5172.1-167.9176.5-178.8-177.70111.9K36 Q37 V38 S43 A44K36-K40 VanDerWaalsContact O-CB 3.3Å; K36-K40 WeakPolarHBondContact O-CB 3.23Å; K36-K40 PolarHBondContact O-N 3.05Å; Q37-K40 PolarHBondContact O-N 3.11Å; V38-K40 VanDerWaalsContact C-N 3.34Å; V38-K40 PolarHBondContact O-N 3.09Å; K40-S43 WeakPolarHBondContact CA-OG 3.44Å; K40-S43 PolarHBondContact O-OG 3.36Å; K40-S43 VanDerWaalsContact O-OG 3.07Å; K40-A44 VanDerWaalsContact O-CB 3.29Å; K40-A44 WeakPolarHBondContact O-CB 3.48Å; K40-A44 PolarHBondContact O-N 2.87Å
41L56.3Low62.5Low116 Ų11697.2 Ų97.261%0.60752%0.518SS*.Hα-helixtrans-71.7-41.5176.2-74.8165.2000112.1Q37 V38 A44 H45Q37-L41 WeakPolarHBondContact O-CG 3.47Å; Q37-L41 PolarHBondContact O-N 3.47Å; V38-L41 PolarHBondContact O-N 2.78Å; L41-A44 PolarHBondContact O-N 3.11Å; L41-H45 WeakPolarHBondContact O-CB 3.3Å; L41-H45 PolarHBondContact O-N 3.34Å
42L55.2Low62.7Low112 Ų11297.1 Ų97.159%0.58652%0.524SS*.Hα-helixtrans-62.1-44.7174.2-89.5148.4000111.7V38 H45 E46V38-L42 HydrophobicContact CG1-CD1 3.69Å; V38-L42 WeakPolarHBondContact O-CB 3.09Å; V38-L42 PolarHBondContact O-N 2.92Å; L42-H45 PolarHBondContact O-N 2.86Å; L42-E46 WeakPolarHBondContact O-CB 3.47Å; L42-E46 PolarHBondContact O-N 3.34Å
43S66.1Low62.9Low61 Ų6196.6 Ų96.643%0.42752%0.524SS..Hα-helixtrans-69.1-35.1177.954.70000112.8Q39 K40 A47Q39-S43 WeakPolarHBondContact O-CB 3.28Å; Q39-S43 PolarHBondContact O-N 2.91Å; Q39-S43 PolarHBondContact O-OG 2.68Å; K40-S43 WeakPolarHBondContact CA-OG 3.44Å; K40-S43 PolarHBondContact O-OG 3.36Å; K40-S43 VanDerWaalsContact O-OG 3.07Å; S43-A47 VanDerWaalsContact O-CB 3.3Å; S43-A47 WeakPolarHBondContact O-CB 3.48Å; S43-A47 PolarHBondContact O-N 2.92Å
44A62Low62.9Low59 Ų59102.4 Ų102.449%0.48854%0.535SS..Hα-helixtrans-65.9-40.2171.900000112.3K40 L41 S48K40-A44 VanDerWaalsContact O-CB 3.29Å; K40-A44 WeakPolarHBondContact O-CB 3.48Å; K40-A44 PolarHBondContact O-N 2.87Å; L41-A44 PolarHBondContact O-N 3.11Å; A44-S48 WeakPolarHBondContact O-CB 3.4Å; A44-S48 PolarHBondContact O-N 3.48Å
45H65.4Low63.1Low128 Ų128101.7 Ų101.759%0.59353%0.533SS*.Hα-helixtrans-67.2-41.8175.7-174-69.7000111.7L41 L42 S48 C49L41-H45 WeakPolarHBondContact O-CB 3.3Å; L41-H45 PolarHBondContact O-N 3.34Å; L42-H45 PolarHBondContact O-N 2.86Å; H45-S48 PolarHBondContact O-N 2.72Å; H45-C49 WeakPolarHBondContact O-CB 3.05Å; H45-C49 PolarHBondContact O-N 3.1Å
46E65.5Low63.3Low128 Ų128101.5 Ų101.560%0.59853%0.532SS*.Hα-helixtrans-64.3-42.2176.5-166.4174.7-17200111.3L42 S48 C49 L50L42-E46 WeakPolarHBondContact O-CB 3.47Å; L42-E46 PolarHBondContact O-N 3.34Å; E46-S48 PolarHBondContact O-N 3.22Å; E46-C49 PolarHBondContact O-N 3.23Å; E46-L50 HydrophobicContact CG-CD1 4.33Å; E46-L50 WeakPolarHBondContact O-CB 3.02Å; E46-L50 VanDerWaalsContact O-CG 3.32Å; E46-L50 WeakPolarHBondContact O-CG 3.34Å; E46-L50 PolarHBondContact O-N 2.99Å
47A67.8Low63.2Low60 Ų60102.6 Ų102.650%0.49653%0.532SS..Hα-helixtrans-62.9-41.5173.500000112.4S43 Q51S43-A47 VanDerWaalsContact O-CB 3.3Å; S43-A47 WeakPolarHBondContact O-CB 3.48Å; S43-A47 PolarHBondContact O-N 2.92Å; A47-Q51 VanDerWaalsContact O-CB 3.26Å; A47-Q51 WeakPolarHBondContact O-CB 3.37Å; A47-Q51 PolarHBondContact O-N 3.34Å
48S62.5Low63.3Low74 Ų74103.3 Ų103.352%0.51753%0.533SS..Hα-helixtrans-64.5-42.1176-177.10000112.2A44 H45 E46 Q51 S52A44-S48 WeakPolarHBondContact O-CB 3.4Å; A44-S48 PolarHBondContact O-N 3.48Å; H45-S48 PolarHBondContact O-N 2.72Å; E46-S48 PolarHBondContact O-N 3.22Å; S48-Q51 PolarHBondContact O-N 3.07Å; S48-S52 WeakPolarHBondContact O-CB 3.35Å; S48-S52 PolarHBondContact O-N 2.61Å; S48-S52 PolarHBondContact O-OG 3.2Å
49C56.8Low63.5Low62 Ų62105.5 Ų105.542%0.41954%0.537SS..Hα-helixtrans-66.1-45.1177.3-172.50000111.5H45 E46 Q51 S52 L53H45-C49 WeakPolarHBondContact O-CB 3.05Å; H45-C49 PolarHBondContact O-N 3.1Å; E46-C49 PolarHBondContact O-N 3.23Å; C49-Q51 VanDerWaalsContact C-N 3.32Å; C49-Q51 PolarHBondContact O-N 3.11Å; C49-S52 WeakPolarHBondContact O-CB 3.32Å; C49-S52 PolarHBondContact O-N 2.78Å; C49-L53 WeakPolarHBondContact O-CG 3.46Å; C49-L53 PolarHBondContact O-N 3.31Å
50L67.9Low63.7Low84 Ų84103 Ų10344%0.4453%0.527SS..Hα-helixtrans-64.3-36.4175.5-73.5173.4000112.1E46 L53 R54E46-L50 HydrophobicContact CG-CD1 4.33Å; E46-L50 WeakPolarHBondContact O-CB 3.02Å; E46-L50 VanDerWaalsContact O-CG 3.32Å; E46-L50 WeakPolarHBondContact O-CG 3.34Å; E46-L50 PolarHBondContact O-N 2.99Å; L50-L53 PolarHBondContact O-N 3.43Å; L50-R54 VanDerWaalsContact O-CG 3.32Å; L50-R54 WeakPolarHBondContact O-CG 3.39Å; L50-R54 PolarHBondContact O-N 3.24Å
51Q67.7Low63.3Low91 Ų9199.5 Ų99.543%0.42552%0.516SS..Hα-helixtrans-68.1-40.1175.4-171.263.67.600111.7A47 S48 C49 L53 R54 N55A47-Q51 VanDerWaalsContact O-CB 3.26Å; A47-Q51 WeakPolarHBondContact O-CB 3.37Å; A47-Q51 PolarHBondContact O-N 3.34Å; S48-Q51 PolarHBondContact O-N 3.07Å; C49-Q51 VanDerWaalsContact C-N 3.32Å; C49-Q51 PolarHBondContact O-N 3.11Å; Q51-L53 VanDerWaalsContact C-N 3.35Å; Q51-R54 PolarHBondContact O-N 2.92Å; Q51-N55 PolarHBondContact O-N 2.95Å
52S62.5Low63.2Low68 Ų6899.8 Ų99.848%0.47652%0.518SS..Hα-helixtrans-62.4-42.2174.3-59.30000111.4S48 C49 N55 L56S48-S52 WeakPolarHBondContact O-CB 3.35Å; S48-S52 PolarHBondContact O-N 2.61Å; S48-S52 PolarHBondContact O-OG 3.2Å; C49-S52 WeakPolarHBondContact O-CB 3.32Å; C49-S52 PolarHBondContact O-N 2.78Å; S52-N55 PolarHBondContact O-N 3.06Å; S52-L56 WeakPolarHBondContact O-CB 3.47Å; S52-L56 PolarHBondContact O-N 3.26Å
53L64.9Low63.1Low99 Ų99101.1 Ų101.152%0.51853%0.525SS..Hα-helixtrans-65.8-37.7175-75168000112.9C49 L50 Q51 L56 R57C49-L53 WeakPolarHBondContact O-CG 3.46Å; C49-L53 PolarHBondContact O-N 3.31Å; L50-L53 PolarHBondContact O-N 3.43Å; Q51-L53 VanDerWaalsContact C-N 3.35Å; L53-L56 PolarHBondContact O-N 3.25Å; L53-R57 WeakPolarHBondContact O-CB 3.26Å; L53-R57 PolarHBondContact O-N 2.85Å
54R67.6Low62.4Low157 Ų157104.7 Ų104.759%0.59254%0.535SS*.Hα-helixtrans-65.4-40.4173.5-74.5174.8-167.7161.60.9112L50 Q51 R57 K58L50-R54 VanDerWaalsContact O-CG 3.32Å; L50-R54 WeakPolarHBondContact O-CG 3.39Å; L50-R54 PolarHBondContact O-N 3.24Å; Q51-R54 PolarHBondContact O-N 2.92Å; R54-R57 PolarHBondContact O-N 3.04Å; R54-K58 PolarHBondContact O-N 2.59Å
55N61.6Low61.8Low85 Ų85106.3 Ų106.346%0.45554%0.543SS..Hα-helixtrans-65.7-40.8175.5-75-13.1000111.4Q51 S52 K58 K59Q51-N55 PolarHBondContact O-N 2.95Å; S52-N55 PolarHBondContact O-N 3.06Å; N55-K58 PolarHBondContact O-N 3.5Å; N55-K59 PolarHBondContact O-N 3.35Å
56L61.6Low61Low103 Ų103103.1 Ų103.154%0.53954%0.544SS..Hα-helixtrans-62.6-44.4174.6-146.990.5000111.3S52 L53 K58 K59 I60S52-L56 WeakPolarHBondContact O-CB 3.47Å; S52-L56 PolarHBondContact O-N 3.26Å; L53-L56 PolarHBondContact O-N 3.25Å; L56-K58 VanDerWaalsContact C-N 3.35Å; L56-K58 PolarHBondContact O-N 3.16Å; L56-K59 PolarHBondContact O-N 2.97Å; L56-I60 HydrophobicContact CD2-CD1 4.38Å; L56-I60 VanDerWaalsContact O-CG1 3.3Å; L56-I60 WeakPolarHBondContact O-CG1 3.3Å; L56-I60 PolarHBondContact O-N 2.04Å
57R65.6Low60.1Low179 Ų179103.5 Ų103.568%0.67556%0.555SS**Hα-helixtrans-63.2-38.4176.4-169.9174.5-177.9173.5-0.5112.3L53 R54 I60 N61L53-R57 WeakPolarHBondContact O-CB 3.26Å; L53-R57 PolarHBondContact O-N 2.85Å; R54-R57 PolarHBondContact O-N 3.04Å; R57-I60 PolarHBondContact O-N 2.63Å; R57-N61 PolarHBondContact O-N 3.49Å
58K63.1Low59Low148 Ų148103.8 Ų103.864%0.64356%0.564SS**Hα-helixtrans-63.2-45.7171.3-88.9-175174.7-178.10111.8R54 N55 L56 I60 N61 L62R54-K58 PolarHBondContact O-N 2.59Å; N55-K58 PolarHBondContact O-N 3.5Å; L56-K58 VanDerWaalsContact C-N 3.35Å; L56-K58 PolarHBondContact O-N 3.16Å; K58-I60 VanDerWaalsContact C-N 3.32Å; K58-I60 PolarHBondContact O-N 2.67Å; K58-N61 PolarHBondContact O-N 3.24Å; K58-L62 WeakPolarHBondContact O-CB 3.49Å; K58-L62 WeakPolarHBondContact O-CD1 3.25Å; K58-L62 PolarHBondContact O-N 3.46Å
59K64.1Low58.2Low110 Ų110110.3 Ų110.348%0.47858%0.583SS.*Hα-helixtrans-59.5-40.7174.8-79.8-169.6174.1-167.60111.5N55 L56 L62 L63 E100N55-K59 PolarHBondContact O-N 3.35Å; L56-K59 PolarHBondContact O-N 2.97Å; K59-L62 PolarHBondContact O-N 3.35Å; K59-L63 WeakPolarHBondContact O-CD1 3.46Å; K59-L63 VanDerWaalsContact O-CG 3.25Å; K59-L63 WeakPolarHBondContact O-CG 3.46Å; K59-L63 PolarHBondContact O-N 3.06Å; K59-E100 IonicContact NZ-OE1 2.66Å; K59-E100 IonicContact NZ-OE2 2.69Å; K59-E100 PolarHBondContact NZ-OE2 2.03Å
60I68.2Low57.6Low79 Ų79116.8 Ų116.841%0.40561%0.608SS.*Hα-helixtrans-65.1-44.7176.9-69.3165.4000111.7L56 R57 K58 L62 L63 Q64L56-I60 HydrophobicContact CD2-CD1 4.38Å; L56-I60 VanDerWaalsContact O-CG1 3.3Å; L56-I60 WeakPolarHBondContact O-CG1 3.3Å; L56-I60 PolarHBondContact O-N 2.04Å; R57-I60 PolarHBondContact O-N 2.63Å; K58-I60 VanDerWaalsContact C-N 3.32Å; K58-I60 PolarHBondContact O-N 2.67Å; I60-L62 VanDerWaalsContact C-N 3.35Å; I60-L62 PolarHBondContact O-N 3.08Å; I60-L63 PolarHBondContact O-N 3.47Å; I60-Q64 WeakPolarHBondContact O-CG 3.25Å; I60-Q64 PolarHBondContact O-N 3.11Å; I60-Q64 VanDerWaalsContact O-N 3.11Å
61N56.4Low56Low86 Ų86119.3 Ų119.346%0.4663%0.627SS.*Hα-helixtrans-66.4-35.8178.5-72.9-12.3000112.4R57 K58 L63 Q64 S65R57-N61 PolarHBondContact O-N 3.49Å; K58-N61 PolarHBondContact O-N 3.24Å; N61-L63 VanDerWaalsContact C-N 3.33Å; N61-Q64 PolarHBondContact O-N 2.86Å; N61-S65 PolarHBondContact O-N 3.25Å; N61-S65 VanDerWaalsContact O-N 3.1Å; N61-S65 PolarHBondContact O-OG 2.82Å
62L54.4Low54.8Low122 Ų122119.6 Ų119.664%0.63965%0.645SS**Hα-helixtrans-65.2-34.5173.3-88.3150000112.6K58 K59 I60 Q64 S65K58-L62 WeakPolarHBondContact O-CB 3.49Å; K58-L62 WeakPolarHBondContact O-CD1 3.25Å; K58-L62 PolarHBondContact O-N 3.46Å; K59-L62 PolarHBondContact O-N 3.35Å; I60-L62 VanDerWaalsContact C-N 3.35Å; I60-L62 PolarHBondContact O-N 3.08Å; L62-Q64 VanDerWaalsContact C-N 3.32Å; L62-S65 PolarHBondContact O-OG 3.32Å
63L54.1Low53.5Low141 Ų141126.2 Ų126.274%0.73867%0.665SS**Hα-helixtrans-72.5-25.2174.2-70.5165.7000112.6K59 I60 N61K59-L63 WeakPolarHBondContact O-CD1 3.46Å; K59-L63 VanDerWaalsContact O-CG 3.25Å; K59-L63 WeakPolarHBondContact O-CG 3.46Å; K59-L63 PolarHBondContact O-N 3.06Å; I60-L63 PolarHBondContact O-N 3.47Å; N61-L63 VanDerWaalsContact C-N 3.33Å
64Q50Low52.7Low136 Ų136127 Ų12764%0.63668%0.678SS**Hα-helixtrans-84.1-28177.6-71.5177-14.800113.2I60 N61 L62I60-Q64 WeakPolarHBondContact O-CG 3.25Å; I60-Q64 PolarHBondContact O-N 3.11Å; I60-Q64 VanDerWaalsContact O-N 3.11Å; N61-Q64 PolarHBondContact O-N 2.86Å; L62-Q64 VanDerWaalsContact C-N 3.32Å
65S50.7Low51.7Low93 Ų93125 Ų12565%0.6568%0.684SS**SBendtrans-84.7-3.2177.761.50000114.7N61 L62 T67N61-S65 PolarHBondContact O-N 3.25Å; N61-S65 VanDerWaalsContact O-N 3.1Å; N61-S65 PolarHBondContact O-OG 2.82Å; L62-S65 PolarHBondContact O-OG 3.32Å; S65-T67 PolarHBondContact O-N 3.14Å
66G48.9Very low51.7Low61 Ų61128.5 Ų128.563%0.62970%0.703SS**  trans-9026.8-176.900000116.1
67T45.6Very low52.1Low135 Ų135126.4 Ų126.483%0.82870%0.696SS**  trans-101.161.8173.646.70000111.2S65S65-T67 PolarHBondContact O-N 3.14Å
68G44.1Very low52.9Low67 Ų67121.8 Ų121.869%0.69169%0.688SS**  trans-112.2118.7170.800000110.9
69K46.7Very low54Low210 Ų210114.9 Ų114.991%0.91366%0.658SS**  trans-39.7130.3177.7-69.8170.5173.2175.20114.1
70Q44.4Very low55.2Low199 Ų199113.6 Ų113.693%0.9366%0.661SS**  trans-141.3132147.8-91.8-176.519.700111.4
71T34.1Very low56.1Low137 Ų137117 Ų11784%0.8467%0.673SS**  trans-88.7133.4-179.838.80000111.9
72A41.8Very low57.6Low97 Ų97113.7 Ų113.780%0.80266%0.655SS**  trans46.9109.7150.600000121.1
73K35.8Very low59.2Low207 Ų207113 Ų11390%0.965%0.652SS**  -176125.7116.1-109.8175.7177.9176.40110.4T75K73-T75 PolarHBondContact O-N 2.95Å
74S47.2Very low60.6Low115 Ų115108.8 Ų108.880%0.80464%0.638SS**  trans-78103.2176.455.10000110.8
75T47.7Very low62.4Low114 Ų114102.9 Ų102.970%0.69961%0.611SS**  trans-118.8121.7149.1430000106.1K73 S77K73-T75 PolarHBondContact O-N 2.95Å; T75-S77 PolarHBondContact O-N 3.02Å; T75-S77 PolarHBondContact O-OG 2.72Å
76N61.9Low64.2Low160 Ų160105.3 Ų105.386%0.85662%0.616SS**  trans-68.777.1-177.9-85.4-14.9000110.4T78N76-T78 PolarHBondContact O-N 2.71Å
77S69.8Low66.1Low58 Ų58105.7 Ų105.741%0.40660%0.603SS.*  trans-9576.8178.2-39.40000109.1T75T75-S77 PolarHBondContact O-N 3.02Å; T75-S77 PolarHBondContact O-OG 2.72Å
78T82.6Confident67.9Low82 Ų8299.9 Ų99.950%0.50357%0.57SS.*BIsolated β-bridgetrans-113.6141.9178.857.10000111N76 H95N76-T78 PolarHBondContact O-N 2.71Å; T78-H95 CarbonylContact C-O 3.55Å; T78-H95 WeakPolarHBondContact CA-O 3.22Å
79C85.7Confident69.7Low3 Ų3104.3 Ų104.32%0.0257%0.566CS.*PPolyproline II helixtrans-62.8156.1172.5-73.10000111.8H95 C119 W125C79-H95 PolarHBondContact N-O 3.42Å; C79-C119 HydrophobicContact CB-CB 3.83Å; C79-C119 WeakPolarHBondContact CB-SG 3.16Å; C79-C119 WeakPolarHBondContact SG-CA 3.44Å; C79-C119 WeakPolarHBondContact SG-CB 3.07Å; C79-C119 CovalentContact SG-SG 2.02Å; C79-C119 PolarHBondContact SG-SG 2.82Å; C79-W125 HydrophobicContact CB-CD2 4.29Å; C79-W125 HydrophobicContact CB-CZ2 3.87Å
80P89Confident71.7Confident83 Ų8396.7 Ų96.754%0.53953%0.533SS..PPolyproline II helixtrans-52.9144.1175.6-26.333.8000112.2L82 L123 W125P80-L82 PolarHBondContact O-N 3.24Å; P80-L123 VanDerWaalsContact CD-O 3.29Å; P80-L123 WeakPolarHBondContact CD-O 3.06Å; P80-W125 PolarHBondContact O-NE1 3.03Å
81K87.7Confident73.1Confident150 Ų15091.6 Ų91.665%0.65251%0.512SS*.PPolyproline II helixtrans-64.2126176.7-179.9-178.3172.9-164.40109.5
82L86.9Confident74.9Confident17 Ų1786.8 Ų86.89%0.08949%0.489CS..PPolyproline II helixtrans-89.8139.7170.2-61-178.8000110.3P80 K90 F103 R117 W125P80-L82 PolarHBondContact O-N 3.24Å; L82-K90 HydrophobicContact CB-CD 4.18Å; L82-K90 WeakPolarHBondContact O-CD 3.42Å; L82-K90 WeakPolarHBondContact O-CE 3.41Å; L82-K90 PolarHBondContact O-NZ 3.21Å; L82-F103 HydrophobicContact CB-CZ 4.15Å; L82-F103 HydrophobicContact CD1-CE2 4.27Å; L82-F103 HydrophobicContact CD1-CZ 3.78Å; L82-R117 HydrophobicContact CD1-CB 4.36Å; L82-W125 HydrophobicContact CD1-CB 4.46Å; L82-W125 HydrophobicContact CD1-CD2 3.54Å; L82-W125 HydrophobicContact CD1-CE3 4.01Å; L82-W125 HydrophobicContact CD1-CG 3.73Å; L82-W125 HydrophobicContact CD1-CZ2 4.18Å; L82-W125 HydrophobicContact CD2-CG 4.1Å; L82-W125 HydrophobicContact CG-CD2 4.09Å; L82-W125 HydrophobicContact CG-CG 4.1Å; L82-W125 HydrophobicContact CG-CZ2 4.3Å
83D87.7Confident76Confident107 Ų10792.1 Ų92.157%0.57250%0.495SS*.PPolyproline II helixtrans-93.6159.2173.2-64.4-47.1000111.2Q129D83-Q129 PolarHBondContact O-NE2 3.32Å
84A85.3Confident77.8Confident53 Ų5384.5 Ų84.544%0.43847%0.467SS..PPolyproline II helixtrans-72.6141.8173.400000109.7K90A84-K90 HydrophobicContact CB-CB 3.98Å
85P87.4Confident79.5Confident12 Ų1281 Ų818%0.07844%0.438CS..PPolyproline II helixtrans-61.6148.2171.825.3-32.1000110.3N87 G88 F103P85-N87 PolarHBondContact O-N 3.42Å; P85-G88 CarbonylContact O-C 3.59Å; P85-G88 PolarHBondContact O-N 2.83Å; P85-F103 HydrophobicContact CG-CD1 4.36Å
86I88.4Confident81.1Confident145 Ų14576.4 Ų76.474%0.74441%0.413SS*.THydrogen-bonded Turntrans-58.6135.6170.4-60.6171.2000107.7G88 C132I86-G88 VanDerWaalsContact C-N 3.26Å; I86-G88 PolarHBondContact O-N 2.71Å; I86-C132 WeakPolarHBondContact O-CB 3.29Å
87N87.8Confident82.3Confident68 Ų6871.8 Ų71.836%0.36439%0.39SS..THydrogen-bonded Turntrans58.635.1-172.2-51.4-31.5000113.5P85 D106 Y109 C132P85-N87 PolarHBondContact O-N 3.42Å; N87-D106 VanDerWaalsContact C-OD2 3.23Å; N87-D106 PolarHBondContact O-N 2.9Å; N87-Y109 HydrophobicContact CB-CD1 3.95Å; N87-Y109 HydrophobicContact CB-CD2 3.98Å; N87-Y109 HydrophobicContact CB-CE1 3.86Å; N87-Y109 HydrophobicContact CB-CE2 3.88Å; N87-Y109 HydrophobicContact CB-CG 4.04Å; N87-Y109 WeakPolarHBondContact ND2-CE1 3.47Å; N87-Y109 PolarHBondContact ND2-OH 2.94Å; N87-C132 HydrophobicContact CB-CB 4.5Å
88G84Confident82.7Confident13 Ų1371.7 Ų71.713%0.13440%0.399CS..EExtended strand (participates in β ladder)trans-159.1-178.7175.300000113.8P85 I86 L104P85-G88 CarbonylContact O-C 3.59Å; P85-G88 PolarHBondContact O-N 2.83Å; I86-G88 VanDerWaalsContact C-N 3.26Å; I86-G88 PolarHBondContact O-N 2.71Å; G88-L104 CarbonylContact C-O 3.55Å; G88-L104 WeakPolarHBondContact CA-O 3.05Å
89R82.6Confident82.7Confident160 Ų16072.1 Ų72.160%0.60440%0.395SS*.EExtended strand (participates in β ladder)trans-134.1143.6-170.5-55.1-178.9-165.4-135-2.2110.3F103 L104 D106R89-F103 WeakPolarHBondContact O-CA 3.27Å; R89-L104 PolarHBondContact N-O 2.8Å; R89-L104 PolarHBondContact O-N 2.84Å; R89-D106 IonicContact CZ-OD1 3.91Å; R89-D106 IonicContact NE-OD1 3.95Å; R89-D106 PolarHBondContact NE-OD1 2.04Å; R89-D106 IonicContact NH2-OD1 3.63Å; R89-D106 PolarHBondContact NH2-OD1 3.23Å
90K86.9Confident82.7Confident51 Ų5174.9 Ų74.922%0.22241%0.408CS..EExtended strand (participates in β ladder)trans-105.3126.9174.1-174.1-171.678.1164.90110.1L82 A84 V101 H102 F103L82-K90 HydrophobicContact CB-CD 4.18Å; L82-K90 WeakPolarHBondContact O-CD 3.42Å; L82-K90 WeakPolarHBondContact O-CE 3.41Å; L82-K90 PolarHBondContact O-NZ 3.21Å; A84-K90 HydrophobicContact CB-CB 3.98Å; K90-V101 HydrophobicContact CD-CG1 3.69Å; K90-V101 HydrophobicContact CG-CG1 3.34Å; K90-H102 CarbonylContact C-O 3.22Å; K90-F103 HydrophobicContact CB-CD1 4.07Å; K90-F103 HydrophobicContact CB-CE1 3.95Å; K90-F103 HydrophobicContact CD-CE1 3.93Å; K90-F103 HydrophobicContact CD-CZ 4.28Å; K90-F103 HydrophobicContact CG-CD1 4.03Å; K90-F103 HydrophobicContact CG-CE1 3.56Å; K90-F103 HydrophobicContact CG-CZ 4.1Å
91L75.6Confident82.4Confident92 Ų9271 Ų7148%0.48238%0.382SS..EExtended strand (participates in β ladder)trans-107.5125.4175-59.2-178.7000110.1V101 H102 L104L91-V101 WeakPolarHBondContact O-CA 3.37Å; L91-V101 WeakPolarHBondContact O-CG1 3.37Å; L91-H102 HydrophobicContact CB-CB 4.26Å; L91-H102 PolarHBondContact N-O 3.46Å; L91-H102 PolarHBondContact O-N 2.82Å; L91-L104 HydrophobicContact CD1-CD1 3.51Å; L91-L104 HydrophobicContact CD1-CG 4.26Å; L91-L104 HydrophobicContact CG-CD1 4.17Å
92G71.2Confident82.1Confident36 Ų3667.3 Ų67.337%0.37137%0.367SS..  trans121.4122.4-176.600000111.6
93K65.8Low82Confident209 Ų20966.5 Ų66.591%0.90936%0.363SS*.  trans-103.9-17-175.9-65.6-176.5179.4-179.10113.8
94S73.1Confident81.6Confident47 Ų4765.3 Ų65.333%0.32936%0.356SS..  trans-95.5138.6-178.1-174.60000110.6H99S94-H99 VanDerWaalsContact CB-CE1 3.48Å; S94-H99 WeakPolarHBondContact CB-CE1 3.46Å; S94-H99 WeakPolarHBondContact CB-ND1 3.32Å; S94-H99 PolarHBondContact OG-CD2 3.31Å; S94-H99 PolarHBondContact OG-CE1 3.47Å; S94-H99 VanDerWaalsContact OG-CE1 3.27Å; S94-H99 PolarHBondContact OG-ND1 2.87Å; S94-H99 PolarHBondContact OG-NE2 3.43Å
95H81.8Confident81.5Confident42 Ų4264.2 Ų64.219%0.19435%0.345CS..  trans-116.917177.3-47.6142000111.7T78 C79 C119 W125T78-H95 CarbonylContact C-O 3.55Å; T78-H95 WeakPolarHBondContact CA-O 3.22Å; C79-H95 PolarHBondContact N-O 3.42Å; H95-C119 PolarHBondContact O-SG 3.41Å; H95-C119 VanDerWaalsContact O-SG 3.41Å; H95-W125 HydrophobicContact CB-CZ2 4.22Å
96G82.5Confident81.4Confident16 Ų1665.7 Ų65.717%0.16535%0.352CS..BIsolated β-bridgetrans-70157174.900000111.9G98 H99 C119G96-G98 PolarHBondContact O-N 2.92Å; G96-H99 WeakPolarHBondContact O-CB 3.49Å; G96-H99 PolarHBondContact O-CD2 2.99Å; G96-H99 PolarHBondContact O-N 3.45Å; G96-C119 WeakPolarHBondContact O-CB 3.06Å
97V85.6Confident80.9Confident63 Ų6363.7 Ų63.738%0.38235%0.348SS..THydrogen-bonded Turntrans-53.6132.7174.9179.20000110.4H99 E121 L123V97-H99 VanDerWaalsContact C-N 3.35Å; V97-E121 HydrophobicContact CG1-CB 4.33Å; V97-E121 HydrophobicContact CG1-CG 3.68Å; V97-L123 HydrophobicContact CG2-CD2 4Å
98G79.9Confident80.2Confident57 Ų5760.9 Ų60.959%0.58834%0.335SS*.THydrogen-bonded Turntrans86.4-8.6-177.200000115.4G96 C119G96-G98 PolarHBondContact O-N 2.92Å; G98-C119 PolarHBondContact N-O 3.32Å
99H80.9Confident80.2Confident90 Ų9062.9 Ų62.942%0.41734%0.339SS..  trans-77.5137.2175-76-87.9000112.4S94 G96 V97 V118 C119S94-H99 VanDerWaalsContact CB-CE1 3.48Å; S94-H99 WeakPolarHBondContact CB-CE1 3.46Å; S94-H99 WeakPolarHBondContact CB-ND1 3.32Å; S94-H99 PolarHBondContact OG-CD2 3.31Å; S94-H99 PolarHBondContact OG-CE1 3.47Å; S94-H99 VanDerWaalsContact OG-CE1 3.27Å; S94-H99 PolarHBondContact OG-ND1 2.87Å; S94-H99 PolarHBondContact OG-NE2 3.43Å; G96-H99 WeakPolarHBondContact O-CB 3.49Å; G96-H99 PolarHBondContact O-CD2 2.99Å; G96-H99 PolarHBondContact O-N 3.45Å; V97-H99 VanDerWaalsContact C-N 3.35Å; H99-V118 WeakPolarHBondContact O-CA 3.19Å; H99-C119 PolarHBondContact O-N 3.03Å
100E85.9Confident80.3Confident62 Ų6259.1 Ų59.129%0.2933%0.329SS..EExtended strand (participates in β ladder)trans-101.4136.3176.8-172.2171.2-165.500110.2K59 H102 S116 R117 V118K59-E100 IonicContact NZ-OE1 2.66Å; K59-E100 IonicContact NZ-OE2 2.69Å; K59-E100 PolarHBondContact NZ-OE2 2.03Å; E100-H102 IonicContact OE1-CE1 3.18Å; E100-H102 PolarHBondContact OE1-CE1 2.92Å; E100-H102 IonicContact OE1-NE2 3.28Å; E100-H102 IonicContact OE2-NE2 3.07Å; E100-S116 VanDerWaalsContact OE1-CB 3.26Å; E100-S116 WeakPolarHBondContact OE1-CB 3.32Å; E100-S116 PolarHBondContact OE1-OG 3.29Å; E100-R117 CarbonylContact C-O 3.57Å; E100-R117 WeakPolarHBondContact CA-O 3.44Å; E100-V118 HydrophobicContact CB-CG2 4.04Å; E100-V118 HydrophobicContact CG-CG2 3.9Å
101V84.2Confident80.3Confident0 Ų059.7 Ų59.70%033%0.334CS..EExtended strand (participates in β ladder)trans-120131.9176173.40000108.1K90 L91 F103 S116 R117 W125K90-V101 HydrophobicContact CD-CG1 3.69Å; K90-V101 HydrophobicContact CG-CG1 3.34Å; L91-V101 WeakPolarHBondContact O-CA 3.37Å; L91-V101 WeakPolarHBondContact O-CG1 3.37Å; V101-F103 HydrophobicContact CG1-CE1 4.36Å; V101-F103 HydrophobicContact CG1-CE2 3.9Å; V101-F103 HydrophobicContact CG1-CZ 3.77Å; V101-S116 CarbonylContact O-C 3.55Å; V101-S116 VanDerWaalsContact O-CA 3.25Å; V101-S116 WeakPolarHBondContact O-CA 3.48Å; V101-R117 PolarHBondContact N-O 3.11Å; V101-R117 PolarHBondContact O-N 3.38Å; V101-W125 HydrophobicContact CB-CH2 4.29Å; V101-W125 HydrophobicContact CB-CZ3 4.18Å; V101-W125 HydrophobicContact CG2-CH2 3.44Å; V101-W125 VanDerWaalsContact CG2-CH2 3.44Å; V101-W125 HydrophobicContact CG2-CZ2 4.3Å; V101-W125 HydrophobicContact CG2-CZ3 3.78Å
102H80.7Confident81.1Confident73 Ų7358.2 Ų58.234%0.33833%0.328SS..EExtended strand (participates in β ladder)trans-108.6149.9179-66.4-89000111.2K90 L91 E100 E115 S116K90-H102 CarbonylContact C-O 3.22Å; L91-H102 HydrophobicContact CB-CB 4.26Å; L91-H102 PolarHBondContact N-O 3.46Å; L91-H102 PolarHBondContact O-N 2.82Å; E100-H102 IonicContact OE1-CE1 3.18Å; E100-H102 PolarHBondContact OE1-CE1 2.92Å; E100-H102 IonicContact OE1-NE2 3.28Å; E100-H102 IonicContact OE2-NE2 3.07Å; H102-E115 WeakPolarHBondContact CA-O 3.03Å; H102-S116 VanDerWaalsContact CE1-CB 3.47Å; H102-S116 WeakPolarHBondContact CE1-CB 3.38Å; H102-S116 VanDerWaalsContact ND1-CB 3.3Å; H102-S116 WeakPolarHBondContact ND1-CB 3.16Å
103F85.6Confident82Confident1 Ų158.3 Ų58.30%0.00433%0.33CS..EExtended strand (participates in β ladder)trans-122.5138.8178.1-61.1-86.7000110.1L82 P85 R89 K90 V101 I111 E115 R117 P130L82-F103 HydrophobicContact CB-CZ 4.15Å; L82-F103 HydrophobicContact CD1-CE2 4.27Å; L82-F103 HydrophobicContact CD1-CZ 3.78Å; P85-F103 HydrophobicContact CG-CD1 4.36Å; R89-F103 WeakPolarHBondContact O-CA 3.27Å; K90-F103 HydrophobicContact CB-CD1 4.07Å; K90-F103 HydrophobicContact CB-CE1 3.95Å; K90-F103 HydrophobicContact CD-CE1 3.93Å; K90-F103 HydrophobicContact CD-CZ 4.28Å; K90-F103 HydrophobicContact CG-CD1 4.03Å; K90-F103 HydrophobicContact CG-CE1 3.56Å; K90-F103 HydrophobicContact CG-CZ 4.1Å; V101-F103 HydrophobicContact CG1-CE1 4.36Å; V101-F103 HydrophobicContact CG1-CE2 3.9Å; V101-F103 HydrophobicContact CG1-CZ 3.77Å; F103-I111 HydrophobicContact CB-CD1 4.01Å; F103-E115 PolarHBondContact N-O 2.84Å; F103-R117 HydrophobicContact CE2-CB 4.37Å; F103-R117 HydrophobicContact CE2-CG 3.92Å; F103-P130 HydrophobicContact CB-CB 4.39Å; F103-P130 HydrophobicContact CB-CG 3.51Å; F103-P130 HydrophobicContact CD1-CG 3.86Å; F103-P130 HydrophobicContact CD2-CG 3.42Å; F103-P130 VanDerWaalsContact CD2-CG 3.42Å; F103-P130 HydrophobicContact CE1-CG 4.41Å; F103-P130 HydrophobicContact CE2-CG 4.06Å; F103-P130 HydrophobicContact CG-CG 3.3Å; F103-P130 HydrophobicContact CZ-CG 4.5Å
104L77.9Confident83.1Confident82 Ų8249.9 Ų49.943%0.42930%0.297SS..EExtended strand (participates in β ladder)trans-129.4140.8178.6-62.6172.8000108.2G88 R89 L91G88-L104 CarbonylContact C-O 3.55Å; G88-L104 WeakPolarHBondContact CA-O 3.05Å; R89-L104 PolarHBondContact N-O 2.8Å; R89-L104 PolarHBondContact O-N 2.84Å; L91-L104 HydrophobicContact CD1-CD1 3.51Å; L91-L104 HydrophobicContact CD1-CG 4.26Å; L91-L104 HydrophobicContact CG-CD1 4.17Å
105C84.5Confident83.6Confident30 Ų3053.7 Ų53.720%0.20331%0.309CS..EExtended strand (participates in β ladder)trans-91.7151.3169.9-62.70000110.3Y109 C132C105-Y109 WeakPolarHBondContact CB-O 3.05Å; C105-C132 WeakPolarHBondContact CA-SG 3.07Å; C105-C132 HydrophobicContact CB-CB 3.75Å; C105-C132 WeakPolarHBondContact CB-SG 3.43Å; C105-C132 WeakPolarHBondContact SG-CA 3.02Å; C105-C132 WeakPolarHBondContact SG-CB 3.43Å; C105-C132 CovalentContact SG-SG 2.04Å; C105-C132 PolarHBondContact SG-SG 3.18Å
106D84.9Confident83.9Confident43 Ų4353.5 Ų53.523%0.2331%0.313CS..PPolyproline II helixtrans-66.4158.2170.9-68.9-45.4000109.7N87 R89 G108 Y109N87-D106 VanDerWaalsContact C-OD2 3.23Å; N87-D106 PolarHBondContact O-N 2.9Å; R89-D106 IonicContact CZ-OD1 3.91Å; R89-D106 IonicContact NE-OD1 3.95Å; R89-D106 PolarHBondContact NE-OD1 2.04Å; R89-D106 IonicContact NH2-OD1 3.63Å; R89-D106 PolarHBondContact NH2-OD1 3.23Å; D106-G108 PolarHBondContact O-N 3.26Å; D106-Y109 PolarHBondContact O-N 2.97Å; D106-Y109 VanDerWaalsContact O-N 3.16Å
107P78.6Confident84.1Confident102 Ų10254.1 Ų54.166%0.66231%0.31SS*.THydrogen-bonded Turntrans-54.3136.6-179.9-25.535000112.5
108G72.8Confident84.4Confident9 Ų953.3 Ų53.39%0.09331%0.305CS..THydrogen-bonded Turntrans92.9-5.1-173.700000114.9D106 S135 N154D106-G108 PolarHBondContact O-N 3.26Å; G108-S135 VanDerWaalsContact O-CB 3.29Å; G108-S135 WeakPolarHBondContact O-CB 3.29Å; G108-S135 PolarHBondContact O-N 2.87Å; G108-N154 VanDerWaalsContact CA-CB 3.49Å; G108-N154 PolarHBondContact N-OD1 2.87Å; G108-N154 VanDerWaalsContact N-OD1 3.1Å
109Y82.4Confident84.9Confident55 Ų5550.6 Ų50.622%0.21628%0.278CS..EExtended strand (participates in β ladder)trans-119.1137.8179.6-64.6-97.2000111.6N87 C105 D106 C132 R133 D134 V153N87-Y109 HydrophobicContact CB-CD1 3.95Å; N87-Y109 HydrophobicContact CB-CD2 3.98Å; N87-Y109 HydrophobicContact CB-CE1 3.86Å; N87-Y109 HydrophobicContact CB-CE2 3.88Å; N87-Y109 HydrophobicContact CB-CG 4.04Å; N87-Y109 WeakPolarHBondContact ND2-CE1 3.47Å; N87-Y109 PolarHBondContact ND2-OH 2.94Å; C105-Y109 WeakPolarHBondContact CB-O 3.05Å; D106-Y109 PolarHBondContact O-N 2.97Å; D106-Y109 VanDerWaalsContact O-N 3.16Å; Y109-C132 HydrophobicContact CD1-CB 4.36Å; Y109-C132 HydrophobicContact CG-CB 4.42Å; Y109-R133 CarbonylContact C-O 3.57Å; Y109-R133 VanDerWaalsContact CA-O 3.25Å; Y109-R133 WeakPolarHBondContact CA-O 3.37Å; Y109-D134 HydrophobicContact CD1-CB 4.33Å; Y109-D134 HydrophobicContact CE1-CB 4.11Å; Y109-V153 HydrophobicContact CD2-CG1 4.35Å; Y109-V153 HydrophobicContact CE2-CG1 3.47Å; Y109-V153 VanDerWaalsContact CE2-CG1 3.47Å
110E84.9Confident85.3Confident82 Ų8250.5 Ų50.538%0.38328%0.277SS..EExtended strand (participates in β ladder)trans-98146.6172.759.9170.4-173.100111.8C132 R133E110-C132 WeakPolarHBondContact O-CA 3.3Å; E110-R133 HydrophobicContact CG-CB 4.38Å; E110-R133 WeakPolarHBondContact CG-O 3.49Å; E110-R133 PolarHBondContact N-O 3.43Å; E110-R133 PolarHBondContact O-N 2.99Å; E110-R133 IonicContact OE1-CZ 3.62Å; E110-R133 VanDerWaalsContact OE1-CZ 3.28Å; E110-R133 IonicContact OE1-NE 3.34Å; E110-R133 PolarHBondContact OE1-NE 3.16Å; E110-R133 IonicContact OE1-NH2 2.68Å; E110-R133 PolarHBondContact OE1-NH2 3.4Å
111I87.5Confident85.3Confident63 Ų6356.1 Ų56.132%0.32330%0.304SS..EExtended strand (participates in β ladder)trans-84.1123.2179.7-166.6163.9000111F103 E115 P130F103-I111 HydrophobicContact CB-CD1 4.01Å; I111-E115 HydrophobicContact CD1-CB 4.29Å; I111-E115 HydrophobicContact CD1-CG 4.39Å; I111-P130 HydrophobicContact CD1-CB 3.73Å; I111-P130 HydrophobicContact CD1-CG 4.32Å; I111-P130 HydrophobicContact CG1-CB 3.65Å
112V91.4Very high85.5Confident60 Ų6059.8 Ų59.836%0.36433%0.329SS..EExtended strand (participates in β ladder)trans-113.5108.4173.4-177.20000108.4P130 T131 R133V112-P130 CarbonylContact O-C 3.56Å; V112-P130 WeakPolarHBondContact O-CA 3.5Å; V112-T131 PolarHBondContact N-O 2.83Å; V112-T131 PolarHBondContact O-N 3.35Å; V112-T131 PolarHBondContact O-OG1 3.1Å; V112-R133 HydrophobicContact CG2-CB 4.07Å
113G90.7Very high85.7Confident39 Ų3959.6 Ų59.640%0.40233%0.33SS..SBendtrans129.6-151.8-176.900000111.8
114S89.6Confident85.9Confident32 Ų3262.9 Ų62.922%0.22435%0.35CS..  trans-90.7119.5-179-580000112S116 G127 Q128 P130S114-S116 PolarHBondContact O-N 3.05Å; S114-G127 VanDerWaalsContact OG-CA 3.28Å; S114-G127 WeakPolarHBondContact OG-CA 3.01Å; S114-Q128 WeakPolarHBondContact CB-O 3.45Å; S114-Q128 PolarHBondContact N-O 3.22Å; S114-Q128 VanDerWaalsContact N-O 3.11Å; S114-Q128 PolarHBondContact OG-N 2.9Å; S114-Q128 PolarHBondContact OG-O 3.41Å; S114-P130 WeakPolarHBondContact O-CG 3.47Å
115E83.4Confident86.5Confident126 Ų12660 Ų6059%0.58933%0.334SS*.SBendtrans-62.4-29177-170.4-174.5176.900113.1H102 F103 I111H102-E115 WeakPolarHBondContact CA-O 3.03Å; F103-E115 PolarHBondContact N-O 2.84Å; I111-E115 HydrophobicContact CD1-CB 4.29Å; I111-E115 HydrophobicContact CD1-CG 4.39Å
116S87.8Confident86.8Confident39 Ų3960.8 Ų60.827%0.27334%0.337SS..EExtended strand (participates in β ladder)trans-138.2151.1170.278.50000112.5E100 V101 H102 S114E100-S116 VanDerWaalsContact OE1-CB 3.26Å; E100-S116 WeakPolarHBondContact OE1-CB 3.32Å; E100-S116 PolarHBondContact OE1-OG 3.29Å; V101-S116 CarbonylContact O-C 3.55Å; V101-S116 VanDerWaalsContact O-CA 3.25Å; V101-S116 WeakPolarHBondContact O-CA 3.48Å; H102-S116 VanDerWaalsContact CE1-CB 3.47Å; H102-S116 WeakPolarHBondContact CE1-CB 3.38Å; H102-S116 VanDerWaalsContact ND1-CB 3.3Å; H102-S116 WeakPolarHBondContact ND1-CB 3.16Å; S114-S116 PolarHBondContact O-N 3.05Å
117R87.9Confident87.1Confident28 Ų2860.9 Ų60.911%0.10635%0.349CS..EExtended strand (participates in β ladder)trans-134.1139.6179.9-57.7-174.972.3-173.85.8109.4L82 E100 V101 F103 W125 T126 G127L82-R117 HydrophobicContact CD1-CB 4.36Å; E100-R117 CarbonylContact C-O 3.57Å; E100-R117 WeakPolarHBondContact CA-O 3.44Å; V101-R117 PolarHBondContact N-O 3.11Å; V101-R117 PolarHBondContact O-N 3.38Å; F103-R117 HydrophobicContact CE2-CB 4.37Å; F103-R117 HydrophobicContact CE2-CG 3.92Å; R117-W125 HydrophobicContact CB-CB 4.49Å; R117-W125 HydrophobicContact CB-CE3 3.85Å; R117-W125 PolarHBondContact NH2-O 2.04Å; R117-W125 WeakPolarHBondContact O-CZ3 3.41Å; R117-T126 WeakPolarHBondContact CB-O 3.36Å; R117-T126 WeakPolarHBondContact CG-O 3.35Å; R117-T126 PolarHBondContact NE-O 3.37Å; R117-G127 PolarHBondContact NH2-O 3.27Å
118V91.6Very high87.7Confident46 Ų4663 Ų6328%0.27935%0.35SS..EExtended strand (participates in β ladder)trans-117.5135.2-178.5-176.10000109.4H99 E100 Q120 T126H99-V118 WeakPolarHBondContact O-CA 3.19Å; E100-V118 HydrophobicContact CB-CG2 4.04Å; E100-V118 HydrophobicContact CG-CG2 3.9Å; V118-Q120 PolarHBondContact O-N 3.37Å; V118-T126 HydrophobicContact CB-CG2 4.47Å; V118-T126 PolarHBondContact N-OG1 2.82Å; V118-T126 PolarHBondContact O-N 3.36Å; V118-T126 PolarHBondContact O-OG1 2.83Å
119C89.7Confident88.4Confident1 Ų166 Ų661%0.00736%0.362CS..BIsolated β-bridgetrans-76.6119.8175.8176.10000110C79 H95 G96 G98 H99 W125C79-C119 HydrophobicContact CB-CB 3.83Å; C79-C119 WeakPolarHBondContact CB-SG 3.16Å; C79-C119 WeakPolarHBondContact SG-CA 3.44Å; C79-C119 WeakPolarHBondContact SG-CB 3.07Å; C79-C119 CovalentContact SG-SG 2.02Å; C79-C119 PolarHBondContact SG-SG 2.82Å; H95-C119 PolarHBondContact O-SG 3.41Å; H95-C119 VanDerWaalsContact O-SG 3.41Å; G96-C119 WeakPolarHBondContact O-CB 3.06Å; G98-C119 PolarHBondContact N-O 3.32Å; H99-C119 PolarHBondContact O-N 3.03Å; C119-W125 HydrophobicContact CB-CD2 4.44Å; C119-W125 HydrophobicContact CB-CE3 4.12Å; C119-W125 HydrophobicContact CB-CH2 3.87Å; C119-W125 HydrophobicContact CB-CZ2 4.23Å; C119-W125 HydrophobicContact CB-CZ3 3.82Å; C119-W125 VanDerWaalsContact N-CZ3 3.3Å
120Q89.5Confident88.7Confident88 Ų8863.5 Ų63.541%0.41135%0.352SS..  trans-89.5165-178.2-60.7-178.8-67.200112.2V118 S122 L123 T124 T126V118-Q120 PolarHBondContact O-N 3.37Å; Q120-S122 WeakPolarHBondContact CB-OG 3.36Å; Q120-S122 PolarHBondContact O-N 3.39Å; Q120-L123 PolarHBondContact O-N 3.36Å; Q120-T124 WeakPolarHBondContact CB-O 3.08Å; Q120-T124 PolarHBondContact N-O 2.79Å; Q120-T124 PolarHBondContact OE1-OG1 2.89Å; Q120-T126 VanDerWaalsContact CD-CG2 3.47Å; Q120-T126 HydrophobicContact CG-CG2 3.59Å
121E86.2Confident89.1Confident180 Ų18063.5 Ų63.584%0.84136%0.358SS*.THydrogen-bonded Turntrans-58.9-25.5173.4-69.4176.2-173.600112.6V97 L123V97-E121 HydrophobicContact CG1-CB 4.33Å; V97-E121 HydrophobicContact CG1-CG 3.68Å; E121-L123 PolarHBondContact O-N 2.76Å
122S87.2Confident89.1Confident76 Ų7661.4 Ų61.453%0.53135%0.348SS..THydrogen-bonded Turntrans-733.4172.454.10000114.5Q120 T124Q120-S122 WeakPolarHBondContact CB-OG 3.36Å; Q120-S122 PolarHBondContact O-N 3.39Å; S122-T124 PolarHBondContact O-N 2.95Å; S122-T124 PolarHBondContact OG-OG1 2.89Å
123L85.3Confident88.9Confident70 Ų7065.5 Ų65.537%0.36636%0.357SS..SBendtrans60.824.2-176-55.5177.6000114.6P80 V97 Q120 E121P80-L123 VanDerWaalsContact CD-O 3.29Å; P80-L123 WeakPolarHBondContact CD-O 3.06Å; V97-L123 HydrophobicContact CG2-CD2 4Å; Q120-L123 PolarHBondContact O-N 3.36Å; E121-L123 PolarHBondContact O-N 2.76Å
124T89.3Confident88.4Confident69 Ų6966 Ų6642%0.42335%0.351SS..  trans-114.6149.4175.552.70000111Q120 S122Q120-T124 WeakPolarHBondContact CB-O 3.08Å; Q120-T124 PolarHBondContact N-O 2.79Å; Q120-T124 PolarHBondContact OE1-OG1 2.89Å; S122-T124 PolarHBondContact O-N 2.95Å; S122-T124 PolarHBondContact OG-OG1 2.89Å
125W91.2Very high88.3Confident23 Ų2366.2 Ų66.29%0.08735%0.352CS..BIsolated β-bridgetrans-84.3135.8173.9-71.1101.8000111.2C79 P80 L82 H95 V101 R117 C119C79-W125 HydrophobicContact CB-CD2 4.29Å; C79-W125 HydrophobicContact CB-CZ2 3.87Å; P80-W125 PolarHBondContact O-NE1 3.03Å; L82-W125 HydrophobicContact CD1-CB 4.46Å; L82-W125 HydrophobicContact CD1-CD2 3.54Å; L82-W125 HydrophobicContact CD1-CE3 4.01Å; L82-W125 HydrophobicContact CD1-CG 3.73Å; L82-W125 HydrophobicContact CD1-CZ2 4.18Å; L82-W125 HydrophobicContact CD2-CG 4.1Å; L82-W125 HydrophobicContact CG-CD2 4.09Å; L82-W125 HydrophobicContact CG-CG 4.1Å; L82-W125 HydrophobicContact CG-CZ2 4.3Å; H95-W125 HydrophobicContact CB-CZ2 4.22Å; V101-W125 HydrophobicContact CB-CH2 4.29Å; V101-W125 HydrophobicContact CB-CZ3 4.18Å; V101-W125 HydrophobicContact CG2-CH2 3.44Å; V101-W125 VanDerWaalsContact CG2-CH2 3.44Å; V101-W125 HydrophobicContact CG2-CZ2 4.3Å; V101-W125 HydrophobicContact CG2-CZ3 3.78Å; R117-W125 HydrophobicContact CB-CB 4.49Å; R117-W125 HydrophobicContact CB-CE3 3.85Å; R117-W125 PolarHBondContact NH2-O 2.04Å; R117-W125 WeakPolarHBondContact O-CZ3 3.41Å; C119-W125 HydrophobicContact CB-CD2 4.44Å; C119-W125 HydrophobicContact CB-CE3 4.12Å; C119-W125 HydrophobicContact CB-CH2 3.87Å; C119-W125 HydrophobicContact CB-CZ2 4.23Å; C119-W125 HydrophobicContact CB-CZ3 3.82Å; C119-W125 VanDerWaalsContact N-CZ3 3.3Å
126T91.4Very high88.2Confident45 Ų4564.4 Ų64.428%0.27635%0.347SS..SBendtrans-65.1157169.659.80000111.7R117 V118 Q120R117-T126 WeakPolarHBondContact CB-O 3.36Å; R117-T126 WeakPolarHBondContact CG-O 3.35Å; R117-T126 PolarHBondContact NE-O 3.37Å; V118-T126 HydrophobicContact CB-CG2 4.47Å; V118-T126 PolarHBondContact N-OG1 2.82Å; V118-T126 PolarHBondContact O-N 3.36Å; V118-T126 PolarHBondContact O-OG1 2.83Å; Q120-T126 VanDerWaalsContact CD-CG2 3.47Å; Q120-T126 HydrophobicContact CG-CG2 3.59Å
127G90Very high88.1Confident46 Ų4664.4 Ų64.447%0.47434%0.342SS..SBendtrans69.3-177172.500000114.7S114 R117S114-G127 VanDerWaalsContact OG-CA 3.28Å; S114-G127 WeakPolarHBondContact OG-CA 3.01Å; R117-G127 PolarHBondContact NH2-O 3.27Å
128Q91.2Very high88Confident145 Ų14564.1 Ų64.168%0.67834%0.344SS*.PPolyproline II helixtrans-98.1142.3-179.1-65.8179.4-7.800110.1S114 P130S114-Q128 WeakPolarHBondContact CB-O 3.45Å; S114-Q128 PolarHBondContact N-O 3.22Å; S114-Q128 VanDerWaalsContact N-O 3.11Å; S114-Q128 PolarHBondContact OG-N 2.9Å; S114-Q128 PolarHBondContact OG-O 3.41Å; Q128-P130 WeakPolarHBondContact O-CD 3.4Å
129Q88Confident87.8Confident73 Ų7365.8 Ų65.834%0.34136%0.363SS..PPolyproline II helixtrans-59.7121.1175.4179.363.231.800109.1D83D83-Q129 PolarHBondContact O-NE2 3.32Å
130P89.2Confident87.5Confident2 Ų270.1 Ų70.11%0.01339%0.393CS..PPolyproline II helixtrans-73.2149.1-178.527.7-32.9000111.5F103 I111 V112 S114 Q128F103-P130 HydrophobicContact CB-CB 4.39Å; F103-P130 HydrophobicContact CB-CG 3.51Å; F103-P130 HydrophobicContact CD1-CG 3.86Å; F103-P130 HydrophobicContact CD2-CG 3.42Å; F103-P130 VanDerWaalsContact CD2-CG 3.42Å; F103-P130 HydrophobicContact CE1-CG 4.41Å; F103-P130 HydrophobicContact CE2-CG 4.06Å; F103-P130 HydrophobicContact CG-CG 3.3Å; F103-P130 HydrophobicContact CZ-CG 4.5Å; I111-P130 HydrophobicContact CD1-CB 3.73Å; I111-P130 HydrophobicContact CD1-CG 4.32Å; I111-P130 HydrophobicContact CG1-CB 3.65Å; V112-P130 CarbonylContact O-C 3.56Å; V112-P130 WeakPolarHBondContact O-CA 3.5Å; S114-P130 WeakPolarHBondContact O-CG 3.47Å; Q128-P130 WeakPolarHBondContact O-CD 3.4Å
131T92.4Very high87.3Confident82 Ų8270.4 Ų70.450%0.50341%0.405SS..EExtended strand (participates in β ladder)trans-122.8147.6169.955.50000108.8V112V112-T131 PolarHBondContact N-O 2.83Å; V112-T131 PolarHBondContact O-N 3.35Å; V112-T131 PolarHBondContact O-OG1 3.1Å
132C88.6Confident87.4Confident19 Ų1962.9 Ų62.913%0.12837%0.372CS..EExtended strand (participates in β ladder)trans-99.2113.7175.9-64.90000108.1I86 N87 C105 Y109 E110I86-C132 WeakPolarHBondContact O-CB 3.29Å; N87-C132 HydrophobicContact CB-CB 4.5Å; C105-C132 WeakPolarHBondContact CA-SG 3.07Å; C105-C132 HydrophobicContact CB-CB 3.75Å; C105-C132 WeakPolarHBondContact CB-SG 3.43Å; C105-C132 WeakPolarHBondContact SG-CA 3.02Å; C105-C132 WeakPolarHBondContact SG-CB 3.43Å; C105-C132 CovalentContact SG-SG 2.04Å; C105-C132 PolarHBondContact SG-SG 3.18Å; Y109-C132 HydrophobicContact CD1-CB 4.36Å; Y109-C132 HydrophobicContact CG-CB 4.42Å; E110-C132 WeakPolarHBondContact O-CA 3.3Å
133R87.7Confident87.6Confident146 Ų14660.1 Ų60.155%0.55135%0.352SS*.EExtended strand (participates in β ladder)trans-101.7140.4176.5-174.8175.265.1-172.51.5108.6Y109 E110 V112 S135Y109-R133 CarbonylContact C-O 3.57Å; Y109-R133 VanDerWaalsContact CA-O 3.25Å; Y109-R133 WeakPolarHBondContact CA-O 3.37Å; E110-R133 HydrophobicContact CG-CB 4.38Å; E110-R133 WeakPolarHBondContact CG-O 3.49Å; E110-R133 PolarHBondContact N-O 3.43Å; E110-R133 PolarHBondContact O-N 2.99Å; E110-R133 IonicContact OE1-CZ 3.62Å; E110-R133 VanDerWaalsContact OE1-CZ 3.28Å; E110-R133 IonicContact OE1-NE 3.34Å; E110-R133 PolarHBondContact OE1-NE 3.16Å; E110-R133 IonicContact OE1-NH2 2.68Å; E110-R133 PolarHBondContact OE1-NH2 3.4Å; V112-R133 HydrophobicContact CG2-CB 4.07Å; R133-S135 PolarHBondContact O-N 2.77Å
134D80.4Confident87.8Confident49 Ų4960.8 Ų60.826%0.26236%0.356SS..EExtended strand (participates in β ladder)trans-55.1132.4173.6-164.456.2000110Y109Y109-D134 HydrophobicContact CD1-CB 4.33Å; Y109-D134 HydrophobicContact CE1-CB 4.11Å
135S85.6Confident87.8Confident37 Ų3761 Ų6126%0.25935%0.354SS..PPolyproline II helixtrans-77.4124.4177.5164.30000108.1G108 R133 E137G108-S135 VanDerWaalsContact O-CB 3.29Å; G108-S135 WeakPolarHBondContact O-CB 3.29Å; G108-S135 PolarHBondContact O-N 2.87Å; R133-S135 PolarHBondContact O-N 2.77Å; S135-E137 WeakPolarHBondContact CB-OE1 3.48Å; S135-E137 PolarHBondContact O-N 3.39Å; S135-E137 VanDerWaalsContact O-N 3.11Å; S135-E137 PolarHBondContact OG-OE1 2.9Å
136N82.4Confident87.5Confident88 Ų8862.9 Ų62.947%0.47138%0.382SS..  trans-80.996.5179.2-175.1-34.5000110.1C138 A139 D151N136-C138 PolarHBondContact O-N 3.32Å; N136-C138 VanDerWaalsContact OD1-CA 3.27Å; N136-C138 WeakPolarHBondContact OD1-CA 3.42Å; N136-C138 VanDerWaalsContact OD1-CB 3.24Å; N136-C138 WeakPolarHBondContact OD1-CB 3.11Å; N136-C138 PolarHBondContact OD1-N 2.95Å; N136-A139 HydrophobicContact CB-CB 4.48Å; N136-A139 WeakPolarHBondContact O-CB 3.38Å; N136-A139 PolarHBondContact O-N 2.66Å; N136-A139 PolarHBondContact OD1-N 3.07Å; N136-D151 WeakPolarHBondContact CA-OD1 3.47Å; N136-D151 WeakPolarHBondContact CA-OD2 3.46Å
137E85.5Confident87.3Confident39 Ų3961.5 Ų61.518%0.18238%0.376CS..G310 helixtrans-66.6-26.1178.5-8377.1-117.600112S135 A139 S140 D151 N154 Q155 F156S135-E137 WeakPolarHBondContact CB-OE1 3.48Å; S135-E137 PolarHBondContact O-N 3.39Å; S135-E137 VanDerWaalsContact O-N 3.11Å; S135-E137 PolarHBondContact OG-OE1 2.9Å; E137-A139 VanDerWaalsContact C-N 3.3Å; E137-A139 PolarHBondContact O-N 2.89Å; E137-S140 PolarHBondContact O-OG 3.42Å; E137-S140 VanDerWaalsContact O-OG 3.07Å; E137-D151 PolarHBondContact N-OD1 2.65Å; E137-N154 WeakPolarHBondContact OE2-CA 3.42Å; E137-N154 PolarHBondContact OE2-N 2.83Å; E137-Q155 PolarHBondContact OE2-N 2.85Å; E137-Q155 VanDerWaalsContact OE2-N 3.09Å; E137-F156 HydrophobicContact CB-CB 3.93Å; E137-F156 HydrophobicContact CB-CD1 4.18Å; E137-F156 HydrophobicContact CB-CG 4.5Å
138C85.8Confident87.2Confident22 Ų2263.7 Ų63.715%0.14938%0.38CS..G310 helixtrans-72.5-14176.4-70.10000114.8N136 S140 S141 C149 D151N136-C138 PolarHBondContact O-N 3.32Å; N136-C138 VanDerWaalsContact OD1-CA 3.27Å; N136-C138 WeakPolarHBondContact OD1-CA 3.42Å; N136-C138 VanDerWaalsContact OD1-CB 3.24Å; N136-C138 WeakPolarHBondContact OD1-CB 3.11Å; N136-C138 PolarHBondContact OD1-N 2.95Å; C138-S140 PolarHBondContact O-N 2.69Å; C138-S140 VanDerWaalsContact O-N 3.1Å; C138-S141 PolarHBondContact O-N 3.37Å; C138-C149 WeakPolarHBondContact CA-SG 3.47Å; C138-C149 HydrophobicContact CB-CB 3.72Å; C138-C149 WeakPolarHBondContact CB-SG 3.16Å; C138-C149 WeakPolarHBondContact SG-CB 3.4Å; C138-C149 CovalentContact SG-SG 2.03Å; C138-C149 PolarHBondContact SG-SG 2.84Å; C138-D151 PolarHBondContact SG-N 2.81Å; C138-D151 VanDerWaalsContact SG-N 3.44Å
139A86.9Confident87.2Confident82 Ų8258.5 Ų58.568%0.67836%0.36SS*.G310 helixtrans-59.6-24.9178.600000112.9N136 E137 S141N136-A139 HydrophobicContact CB-CB 4.48Å; N136-A139 WeakPolarHBondContact O-CB 3.38Å; N136-A139 PolarHBondContact O-N 2.66Å; N136-A139 PolarHBondContact OD1-N 3.07Å; E137-A139 VanDerWaalsContact C-N 3.3Å; E137-A139 PolarHBondContact O-N 2.89Å; A139-S141 VanDerWaalsContact C-N 3.26Å; A139-S141 PolarHBondContact O-N 3.47Å
140S83.9Confident87.2Confident91 Ų9157.9 Ų57.964%0.63636%0.361SS*.G310 helixtrans-80-1.617666.50000114.4E137 C138E137-S140 PolarHBondContact O-OG 3.42Å; E137-S140 VanDerWaalsContact O-OG 3.07Å; C138-S140 PolarHBondContact O-N 2.69Å; C138-S140 VanDerWaalsContact O-N 3.1Å
141S86.1Confident86.8Confident94 Ų9460.5 Ų60.566%0.65738%0.375SS*.  trans4958.7-173.6-58.40000113.1C138 A139 C143C138-S141 PolarHBondContact O-N 3.37Å; A139-S141 VanDerWaalsContact C-N 3.26Å; A139-S141 PolarHBondContact O-N 3.47Å; S141-C143 VanDerWaalsContact C-N 3.34Å; S141-C143 PolarHBondContact O-N 3.04Å
142P88.1Confident86.3Confident22 Ų2259.7 Ų59.714%0.14337%0.365CS..  trans-75.4-19.6-171.131.1-36.3000114.1F156 T168P142-F156 HydrophobicContact CB-CD1 4.43Å; P142-F156 HydrophobicContact CB-CD2 4.06Å; P142-F156 HydrophobicContact CB-CE1 3.93Å; P142-F156 HydrophobicContact CB-CE2 3.53Å; P142-F156 HydrophobicContact CB-CG 4.49Å; P142-F156 HydrophobicContact CB-CZ 3.46Å; P142-F156 VanDerWaalsContact CB-CZ 3.46Å; P142-F156 HydrophobicContact CG-CD1 4.03Å; P142-F156 HydrophobicContact CG-CD2 3.45Å; P142-F156 VanDerWaalsContact CG-CD2 3.45Å; P142-F156 HydrophobicContact CG-CE1 4.04Å; P142-F156 HydrophobicContact CG-CE2 3.49Å; P142-F156 VanDerWaalsContact CG-CE2 3.49Å; P142-F156 HydrophobicContact CG-CG 3.76Å; P142-F156 HydrophobicContact CG-CZ 3.79Å; P142-T168 WeakPolarHBondContact O-CB 3.38Å
143C90.7Very high85.8Confident18 Ų1862.4 Ų62.412%0.12238%0.381CS..  trans-81.4124.6179.7-52.50000111.7S141 C149 C158S141-C143 VanDerWaalsContact C-N 3.34Å; S141-C143 PolarHBondContact O-N 3.04Å; C143-C149 HydrophobicContact CB-CB 4.45Å; C143-C149 WeakPolarHBondContact SG-CA 3.11Å; C143-C149 WeakPolarHBondContact SG-CB 3.25Å; C143-C158 WeakPolarHBondContact CA-SG 3.4Å; C143-C158 HydrophobicContact CB-CB 3.84Å; C143-C158 WeakPolarHBondContact CB-SG 3.44Å; C143-C158 WeakPolarHBondContact SG-CA 3.49Å; C143-C158 WeakPolarHBondContact SG-CB 3.45Å; C143-C158 CovalentContact SG-SG 2.02Å; C143-C158 PolarHBondContact SG-SG 2.83Å
144L88.4Confident85.1Confident85 Ų8560 Ų6045%0.44538%0.379SS..  trans-93.2170-178.2-56.1178.4000111.5G146 G147 T168 C169 Q170L144-G146 VanDerWaalsContact C-N 3.29Å; L144-G146 PolarHBondContact O-N 2.83Å; L144-G146 VanDerWaalsContact O-N 3.16Å; L144-G147 PolarHBondContact O-N 2.74Å; L144-T168 WeakPolarHBondContact CB-O 3.47Å; L144-T168 PolarHBondContact N-O 3.3Å; L144-C169 WeakPolarHBondContact O-CB 3.36Å; L144-Q170 HydrophobicContact CD1-CB 4.15Å
145N89.6Confident85.1Confident72 Ų7263 Ų6339%0.38539%0.392SS..THydrogen-bonded Turntrans54.238.7169.4-57-53.3000115.1G147 W164 C169N145-G147 VanDerWaalsContact C-N 3.3Å; N145-G147 PolarHBondContact O-N 2.69Å; N145-W164 HydrophobicContact CB-CD2 3.46Å; N145-W164 VanDerWaalsContact CB-CD2 3.46Å; N145-W164 HydrophobicContact CB-CE3 3.81Å; N145-W164 HydrophobicContact CB-CG 3.77Å; N145-W164 HydrophobicContact CB-CH2 4.35Å; N145-W164 HydrophobicContact CB-CZ2 4.04Å; N145-W164 HydrophobicContact CB-CZ3 4.25Å; N145-W164 WeakPolarHBondContact ND2-CZ3 3.46Å; N145-C169 PolarHBondContact ND2-O 3.18Å
146G85.5Confident85Confident64 Ų6464 Ų6466%0.6639%0.391SS*.THydrogen-bonded Turntrans75.116.5179.600000114.3L144L144-G146 VanDerWaalsContact C-N 3.29Å; L144-G146 PolarHBondContact O-N 2.83Å; L144-G146 VanDerWaalsContact O-N 3.16Å
147G87.3Confident85.2Confident15 Ų1561.7 Ų61.716%0.15538%0.382CS..PPolyproline II helixtrans-66.1143.8170.700000112.4L144 N145 V159L144-G147 PolarHBondContact O-N 2.74Å; N145-G147 VanDerWaalsContact C-N 3.3Å; N145-G147 PolarHBondContact O-N 2.69Å; G147-V159 CarbonylContact C-O 3.58Å; G147-V159 VanDerWaalsContact CA-O 3.3Å; G147-V159 WeakPolarHBondContact CA-O 3.3Å
148T88.8Confident85.3Confident92 Ų9260.9 Ų60.956%0.56438%0.381SS*.EExtended strand (participates in β ladder)trans-92.2123.6175.1-560000109.4V159T148-V159 PolarHBondContact N-O 2.81Å; T148-V159 PolarHBondContact O-N 2.88Å
149C90.6Very high85.4Confident37 Ų3764 Ų6425%0.2540%0.399CS..EExtended strand (participates in β ladder)trans-81.7132.3176.5-166.40000111C138 C143C138-C149 WeakPolarHBondContact CA-SG 3.47Å; C138-C149 HydrophobicContact CB-CB 3.72Å; C138-C149 WeakPolarHBondContact CB-SG 3.16Å; C138-C149 WeakPolarHBondContact SG-CB 3.4Å; C138-C149 CovalentContact SG-SG 2.03Å; C138-C149 PolarHBondContact SG-SG 2.84Å; C143-C149 HydrophobicContact CB-CB 4.45Å; C143-C149 WeakPolarHBondContact SG-CA 3.11Å; C143-C149 WeakPolarHBondContact SG-CB 3.25Å
150V87.9Confident85.2Confident60 Ų6062 Ų6236%0.36438%0.379SS..EExtended strand (participates in β ladder)trans-113.8123.1173-177.30000107.9F156 S157 V159V150-F156 WeakPolarHBondContact O-CA 3.36Å; V150-S157 PolarHBondContact N-O 2.92Å; V150-S157 PolarHBondContact O-N 2.94Å; V150-V159 HydrophobicContact CG2-CG2 4.01Å
151D80.9Confident85.1Confident57 Ų5759.5 Ų59.531%0.30536%0.364SS..EExtended strand (participates in β ladder)trans-76.6127.5179.5-15533.9000109.3N136 E137 C138N136-D151 WeakPolarHBondContact CA-OD1 3.47Å; N136-D151 WeakPolarHBondContact CA-OD2 3.46Å; E137-D151 PolarHBondContact N-OD1 2.65Å; C138-D151 PolarHBondContact SG-N 2.81Å; C138-D151 VanDerWaalsContact SG-N 3.44Å
152E80.6Confident84.8Confident65 Ų6563.3 Ų63.330%0.30437%0.369SS..EExtended strand (participates in β ladder)trans-129.6168.7174.6-59.6-176.8-174.900109N154 Q155 S157E152-N154 PolarHBondContact O-N 2.82Å; E152-N154 VanDerWaalsContact O-N 3.16Å; E152-Q155 CarbonylContact C-O 3.52Å; E152-Q155 WeakPolarHBondContact CA-O 3.39Å; E152-Q155 HydrophobicContact CB-CG 3.95Å; E152-Q155 VanDerWaalsContact CB-O 3.3Å; E152-Q155 WeakPolarHBondContact CB-O 3.13Å; E152-Q155 PolarHBondContact N-O 2.71Å; E152-Q155 VanDerWaalsContact N-O 3.09Å; E152-Q155 PolarHBondContact OE2-NE2 2.81Å; E152-S157 WeakPolarHBondContact OE1-CB 3.43Å; E152-S157 PolarHBondContact OE1-OG 2.83Å
153V78.4Confident84.2Confident75 Ų7563.9 Ų63.946%0.45538%0.379SS..THydrogen-bonded Turntrans-71.3116.3-178-179.80000110.2Y109 Q155Y109-V153 HydrophobicContact CD2-CG1 4.35Å; Y109-V153 HydrophobicContact CE2-CG1 3.47Å; Y109-V153 VanDerWaalsContact CE2-CG1 3.47Å; V153-Q155 PolarHBondContact O-N 2.81Å
154N74.3Confident83.8Confident95 Ų9567.2 Ų67.251%0.50839%0.388SS..THydrogen-bonded Turntrans6811.2176.5-166.465.3000114.6G108 E137 E152G108-N154 VanDerWaalsContact CA-CB 3.49Å; G108-N154 PolarHBondContact N-OD1 2.87Å; G108-N154 VanDerWaalsContact N-OD1 3.1Å; E137-N154 WeakPolarHBondContact OE2-CA 3.42Å; E137-N154 PolarHBondContact OE2-N 2.83Å; E152-N154 PolarHBondContact O-N 2.82Å; E152-N154 VanDerWaalsContact O-N 3.16Å
155Q79.2Confident83.3Confident114 Ų11465.1 Ų65.153%0.53338%0.383SS..EExtended strand (participates in β ladder)trans-161.8163.9-179.166.1-178.536.200110E137 E152 V153E137-Q155 PolarHBondContact OE2-N 2.85Å; E137-Q155 VanDerWaalsContact OE2-N 3.09Å; E152-Q155 CarbonylContact C-O 3.52Å; E152-Q155 WeakPolarHBondContact CA-O 3.39Å; E152-Q155 HydrophobicContact CB-CG 3.95Å; E152-Q155 VanDerWaalsContact CB-O 3.3Å; E152-Q155 WeakPolarHBondContact CB-O 3.13Å; E152-Q155 PolarHBondContact N-O 2.71Å; E152-Q155 VanDerWaalsContact N-O 3.09Å; E152-Q155 PolarHBondContact OE2-NE2 2.81Å; V153-Q155 PolarHBondContact O-N 2.81Å
156F84.2Confident82.7Confident56 Ų5663.6 Ų63.625%0.24639%0.385CS..EExtended strand (participates in β ladder)trans-124.3156.2173.166.7-85.3000110.2E137 P142 V150 T168E137-F156 HydrophobicContact CB-CB 3.93Å; E137-F156 HydrophobicContact CB-CD1 4.18Å; E137-F156 HydrophobicContact CB-CG 4.5Å; P142-F156 HydrophobicContact CB-CD1 4.43Å; P142-F156 HydrophobicContact CB-CD2 4.06Å; P142-F156 HydrophobicContact CB-CE1 3.93Å; P142-F156 HydrophobicContact CB-CE2 3.53Å; P142-F156 HydrophobicContact CB-CG 4.49Å; P142-F156 HydrophobicContact CB-CZ 3.46Å; P142-F156 VanDerWaalsContact CB-CZ 3.46Å; P142-F156 HydrophobicContact CG-CD1 4.03Å; P142-F156 HydrophobicContact CG-CD2 3.45Å; P142-F156 VanDerWaalsContact CG-CD2 3.45Å; P142-F156 HydrophobicContact CG-CE1 4.04Å; P142-F156 HydrophobicContact CG-CE2 3.49Å; P142-F156 VanDerWaalsContact CG-CE2 3.49Å; P142-F156 HydrophobicContact CG-CG 3.76Å; P142-F156 HydrophobicContact CG-CZ 3.79Å; V150-F156 WeakPolarHBondContact O-CA 3.36Å; F156-T168 HydrophobicContact CE2-CG2 4Å; F156-T168 HydrophobicContact CZ-CG2 3.9Å
157S86.3Confident82.5Confident40 Ų4068 Ų6828%0.2839%0.388SS..EExtended strand (participates in β ladder)trans-122.5137.7170.662.50000111.4V150 E152V150-S157 PolarHBondContact N-O 2.92Å; V150-S157 PolarHBondContact O-N 2.94Å; E152-S157 WeakPolarHBondContact OE1-CB 3.43Å; E152-S157 PolarHBondContact OE1-OG 2.83Å
158C88.4Confident82.6Confident23 Ų2369 Ų6916%0.15539%0.391CS..EExtended strand (participates in β ladder)trans-101.7123.1178.7-67.80000111.2C143 E167C143-C158 WeakPolarHBondContact CA-SG 3.4Å; C143-C158 HydrophobicContact CB-CB 3.84Å; C143-C158 WeakPolarHBondContact CB-SG 3.44Å; C143-C158 WeakPolarHBondContact SG-CA 3.49Å; C143-C158 WeakPolarHBondContact SG-CB 3.45Å; C143-C158 CovalentContact SG-SG 2.02Å; C143-C158 PolarHBondContact SG-SG 2.83Å; C158-E167 WeakPolarHBondContact CB-O 3.29Å; C158-E167 PolarHBondContact SG-O 3.04Å
159V86.5Confident82.6Confident88 Ų8864.6 Ų64.653%0.53336%0.364SS..EExtended strand (participates in β ladder)trans-89.5103.8167.5-177.70000108G147 T148 V150G147-V159 CarbonylContact C-O 3.58Å; G147-V159 VanDerWaalsContact CA-O 3.3Å; G147-V159 WeakPolarHBondContact CA-O 3.3Å; T148-V159 PolarHBondContact N-O 2.81Å; T148-V159 PolarHBondContact O-N 2.88Å; V150-V159 HydrophobicContact CG2-CG2 4.01Å
160C83.4Confident82.6Confident40 Ų4067 Ų6727%0.2737%0.372SS..PPolyproline II helixtrans-74.8141.8-173.6-57.10000113.4W164 C169C160-W164 HydrophobicContact CB-CB 4.24Å; C160-W164 WeakPolarHBondContact CB-O 3.25Å; C160-C169 WeakPolarHBondContact CA-SG 3.11Å; C160-C169 HydrophobicContact CB-CB 3.77Å; C160-C169 WeakPolarHBondContact CB-SG 3.43Å; C160-C169 WeakPolarHBondContact SG-CA 3.4Å; C160-C169 WeakPolarHBondContact SG-CB 3.49Å; C160-C169 CovalentContact SG-SG 2.04Å; C160-C169 PolarHBondContact SG-SG 3.44Å
161A81.4Confident82.3Confident37 Ų3766.9 Ų66.931%0.30637%0.374SS..PPolyproline II helixtrans-62.7154.9169.500000110.8G163 W164A161-G163 PolarHBondContact O-N 3.16Å; A161-W164 PolarHBondContact O-N 2.71Å
162K80Confident82Confident175 Ų17568.5 Ų68.576%0.76139%0.387SS*.THydrogen-bonded Turntrans-52.4127.3-178.6-174.9177.9-179.3178.30110.7
163G75.3Confident81.7Confident34 Ų3468 Ų6835%0.35139%0.388SS..THydrogen-bonded Turntrans89.58.3-178.900000114.7A161 P172 V173A161-G163 PolarHBondContact O-N 3.16Å; G163-P172 CarbonylContact O-C 3.47Å; G163-P172 VanDerWaalsContact O-CA 3.28Å; G163-P172 WeakPolarHBondContact O-CA 3.5Å; G163-V173 PolarHBondContact O-N 2.71Å
164W82.1Confident80.5Confident87 Ų8769.3 Ų69.333%0.3340%0.399SS..EExtended strand (participates in β ladder)trans-128.5146.8175.1-63.393.1000112.2N145 C160 A161 C169 S171 P172 V173N145-W164 HydrophobicContact CB-CD2 3.46Å; N145-W164 VanDerWaalsContact CB-CD2 3.46Å; N145-W164 HydrophobicContact CB-CE3 3.81Å; N145-W164 HydrophobicContact CB-CG 3.77Å; N145-W164 HydrophobicContact CB-CH2 4.35Å; N145-W164 HydrophobicContact CB-CZ2 4.04Å; N145-W164 HydrophobicContact CB-CZ3 4.25Å; N145-W164 WeakPolarHBondContact ND2-CZ3 3.46Å; C160-W164 HydrophobicContact CB-CB 4.24Å; C160-W164 WeakPolarHBondContact CB-O 3.25Å; A161-W164 PolarHBondContact O-N 2.71Å; W164-C169 HydrophobicContact CB-CB 4.32Å; W164-S171 CarbonylContact C-O 3.59Å; W164-S171 WeakPolarHBondContact CA-O 3.41Å; W164-S171 VanDerWaalsContact CE3-C 3.44Å; W164-P172 HydrophobicContact CE3-CB 4.26Å; W164-P172 HydrophobicContact CH2-CB 4.47Å; W164-P172 HydrophobicContact CZ3-CB 4.13Å; W164-P172 HydrophobicContact CZ3-CG 4.43Å; W164-V173 VanDerWaalsContact C-CG2 3.44Å; W164-V173 WeakPolarHBondContact O-CG2 3.44Å
165A78.8Confident79.3Confident41 Ų4171.6 Ų71.634%0.33942%0.416SS..EExtended strand (participates in β ladder)trans-150.5170.8-177.600000111.4C169 Q170 S171 V173A165-C169 CarbonylContact O-C 3.25Å; A165-Q170 PolarHBondContact O-N 3.38Å; A165-S171 PolarHBondContact N-O 2.92Å; A165-S171 WeakPolarHBondContact O-CB 3.44Å; A165-S171 PolarHBondContact O-N 3.11Å; A165-S171 VanDerWaalsContact O-O 3.07Å; A165-V173 HydrophobicContact CB-CG2 3.58Å
166G77.8Confident77.7Confident40 Ų4074.9 Ų74.941%0.41243%0.429SS..SBendtrans105165.7-172.900000112.1T168 C169 Q170G166-T168 PolarHBondContact O-N 3.09Å; G166-C169 PolarHBondContact O-N 3.1Å; G166-C169 VanDerWaalsContact O-N 3.11Å; G166-Q170 VanDerWaalsContact C-OE1 3.28Å
167E81Confident75.4Confident158 Ų15879 Ų7974%0.73845%0.447SS*.THydrogen-bonded Turntrans-57.1-33-175.7-167.3-179.7-177.400113.2C158C158-E167 WeakPolarHBondContact CB-O 3.29Å; C158-E167 PolarHBondContact SG-O 3.04Å
168T88.9Confident73.2Confident35 Ų3582.4 Ų82.422%0.21546%0.461CS..THydrogen-bonded Turntrans-118.319.3176.656.50000112.7P142 L144 F156 G166 Q170P142-T168 WeakPolarHBondContact O-CB 3.38Å; L144-T168 WeakPolarHBondContact CB-O 3.47Å; L144-T168 PolarHBondContact N-O 3.3Å; F156-T168 HydrophobicContact CE2-CG2 4Å; F156-T168 HydrophobicContact CZ-CG2 3.9Å; G166-T168 PolarHBondContact O-N 3.09Å; T168-Q170 PolarHBondContact O-N 3.16Å; T168-Q170 PolarHBondContact OG1-OE1 2.92Å
169C88.6Confident71Confident0 Ų087.7 Ų87.70%049%0.492CS..SBendtrans59.230-174.6-48.20000113.9L144 N145 C160 W164 A165 G166 S171L144-C169 WeakPolarHBondContact O-CB 3.36Å; N145-C169 PolarHBondContact ND2-O 3.18Å; C160-C169 WeakPolarHBondContact CA-SG 3.11Å; C160-C169 HydrophobicContact CB-CB 3.77Å; C160-C169 WeakPolarHBondContact CB-SG 3.43Å; C160-C169 WeakPolarHBondContact SG-CA 3.4Å; C160-C169 WeakPolarHBondContact SG-CB 3.49Å; C160-C169 CovalentContact SG-SG 2.04Å; C160-C169 PolarHBondContact SG-SG 3.44Å; W164-C169 HydrophobicContact CB-CB 4.32Å; A165-C169 CarbonylContact O-C 3.25Å; G166-C169 PolarHBondContact O-N 3.1Å; G166-C169 VanDerWaalsContact O-N 3.11Å; C169-S171 VanDerWaalsContact C-N 3.31Å; C169-S171 PolarHBondContact O-N 2.67Å
170Q89.8Confident68.7Low88 Ų8889.1 Ų89.141%0.41150%0.502SS..  trans-74.5-17.3-17571.1-84.22800114.1L144 A165 G166 T168L144-Q170 HydrophobicContact CD1-CB 4.15Å; A165-Q170 PolarHBondContact O-N 3.38Å; G166-Q170 VanDerWaalsContact C-OE1 3.28Å; T168-Q170 PolarHBondContact O-N 3.16Å; T168-Q170 PolarHBondContact OG1-OE1 2.92Å
171S81.6Confident66.6Low57 Ų5793.4 Ų93.440%0.39953%0.527SS..EExtended strand (participates in β ladder)trans-117.1135.7-171.9-600000111.8W164 A165 C169W164-S171 CarbonylContact C-O 3.59Å; W164-S171 WeakPolarHBondContact CA-O 3.41Å; W164-S171 VanDerWaalsContact CE3-C 3.44Å; A165-S171 PolarHBondContact N-O 2.92Å; A165-S171 WeakPolarHBondContact O-CB 3.44Å; A165-S171 PolarHBondContact O-N 3.11Å; A165-S171 VanDerWaalsContact O-O 3.07Å; C169-S171 VanDerWaalsContact C-N 3.31Å; C169-S171 PolarHBondContact O-N 2.67Å
172P76.4Confident64.7Low90 Ų9099.5 Ų99.558%0.58455%0.554SS**EExtended strand (participates in β ladder)trans-69.3139.4172.128.4-32.4000110.2G163 W164G163-P172 CarbonylContact O-C 3.47Å; G163-P172 VanDerWaalsContact O-CA 3.28Å; G163-P172 WeakPolarHBondContact O-CA 3.5Å; W164-P172 HydrophobicContact CE3-CB 4.26Å; W164-P172 HydrophobicContact CH2-CB 4.47Å; W164-P172 HydrophobicContact CZ3-CB 4.13Å; W164-P172 HydrophobicContact CZ3-CG 4.43Å
173V72.9Confident62.5Low54 Ų5498.1 Ų98.133%0.32756%0.561SS.*PPolyproline II helixtrans-72.9124.5172.2-179.20000107.7G163 W164 A165 T175G163-V173 PolarHBondContact O-N 2.71Å; W164-V173 VanDerWaalsContact C-CG2 3.44Å; W164-V173 WeakPolarHBondContact O-CG2 3.44Å; A165-V173 HydrophobicContact CB-CG2 3.58Å; V173-T175 PolarHBondContact O-N 3.26Å
174P54.1Low61.3Low104 Ų104102.1 Ų102.168%0.67558%0.583SS**PPolyproline II helixtrans-55.9127.9172.1-20.430.8000109.2F176P174-F176 PolarHBondContact O-N 2.82Å
175T48.8Very low59.3Low142 Ų142103 Ų10387%0.87161%0.609SS**THydrogen-bonded Turntrans-6517.9-166.5-18.40000115.9V173V173-T175 PolarHBondContact O-N 3.26Å
176F44.8Very low57.3Low183 Ų183104.7 Ų104.780%0.80363%0.63SS**THydrogen-bonded Turntrans-97.20.2-174.9-128.6-91.6000115.6P174P174-F176 PolarHBondContact O-N 2.82Å
177F37.5Very low55.3Low144 Ų144107.9 Ų107.963%0.63265%0.647SS**  trans-132.894.7175.2-66.8-80.1000111
178I39.2Very low53.3Low111 Ų111106.6 Ų106.657%0.56965%0.649SS**  trans-86.798.6154.1-60.8-178.6000106.3T180I178-T180 HydrophobicContact CG2-CG2 3.63Å
179T41.7Very low50.8Low133 Ų133113.3 Ų113.382%0.81668%0.683SS**  trans-75.6109.5147.737.50000107
180T39.4Very low48.8Very low118 Ų118118.3 Ų118.372%0.72472%0.724SS**  trans-100.3114160.332.50000108.7I178I178-T180 HydrophobicContact CG2-CG2 3.63Å
181T38.7Very low46.1Very low131 Ų131118.7 Ų118.780%0.80474%0.743SS**  trans-62.1151.2161.340.60000111.2
182N40.7Very low43.8Very low165 Ų165120.7 Ų120.788%0.88276%0.757SS**  trans-31.1131177.7-80.6-28.4000117
183T33.8Very low42Very low145 Ų145123.3 Ų123.389%0.8977%0.771SS**  trans-129.5114.914329.50000109.8
184S51.7Low40.5Very low119 Ų119127.8 Ų127.883%0.83279%0.793SS**  trans-79.8118163.249.40000110
185A39.4Very low39.9Very low105 Ų105128.6 Ų128.687%0.86880%0.798SS**  trans-168.2127.2149.600000108.7
186G36Very low39.4Very low76 Ų76126.3 Ų126.378%0.78479%0.793SS**  trans-89.2167-163.200000116.3
187S35.9Very low39.5Very low108 Ų108122.1 Ų122.176%0.75579%0.793SS**  -178.3119.6125.452.80000109.1
188T40.6Very low39.3Very low130 Ų130121.9 Ų121.980%0.79880%0.803SS**  trans34.7109.2143.959.20000117.7
189L35.5Very low39.4Very low177 Ų177124 Ų12493%0.92782%0.821SS**  -171.1143.2115.9-92.3158.8000108.9
190A45.5Very low39.5Very low104 Ų104120.1 Ų120.186%0.8681%0.808SS**  trans-55.1130.4-165.100000114
191A33.6Very low40.3Very low97 Ų97118.3 Ų118.380%0.80281%0.805SS**  trans-138118.6155.800000108.1T193A191-T193 PolarHBondContact O-N 3.26Å
192S34.4Very low41.1Very low99 Ų99120 Ų12069%0.69280%0.797SS**  trans-40.4128.9177.749.40000113.7L194S192-L194 PolarHBondContact O-N 2.9Å
193T38.3Very low42.3Very low144 Ų144114.6 Ų114.688%0.88377%0.77SS**  trans-46.2118.7151.928.10000110.7A191A191-T193 PolarHBondContact O-N 3.26Å
194L40Very low43.8Very low149 Ų149118.1 Ų118.178%0.7877%0.767SS**  trans-128.3142.5155.6-85.8162.2000108.3S192S192-L194 PolarHBondContact O-N 2.9Å
195P42Very low44.5Very low120 Ų120113.9 Ų113.978%0.77974%0.737SS**  trans-76.5160-157.130.8-35.3000113.6
196A38.8Very low45.8Very low94 Ų94112.1 Ų112.178%0.77772%0.718SS**SBendtrans-53.3144.6172.300000113.5
197A47.8Very low47.7Very low96 Ų96117 Ų11779%0.79371%0.713SS**  trans48.982.214500000116.8
198T33Very low49.6Very low139 Ų139115 Ų11585%0.85370%0.698SS**  trans-85.5122149.236.70000109.6G200T198-G200 VanDerWaalsContact C-N 3.33Å; T198-G200 PolarHBondContact O-N 2.89Å
199T41.2Very low51.4Low155 Ų155111.7 Ų111.795%0.95168%0.677SS**  trans-5985.5168.547.60000111.4
200G43.7Very low53.2Low51 Ų51109.6 Ų109.653%0.52667%0.666SS.*  trans-150.4144.6170.500000110.1T198 Y202T198-G200 VanDerWaalsContact C-N 3.33Å; T198-G200 PolarHBondContact O-N 2.89Å; G200-Y202 PolarHBondContact O-N 3.43Å
201A55.6Low54.5Low80 Ų80108.3 Ų108.366%0.66165%0.647SS**SBendtrans-68.214.7-178.600000114.6
202Y56.5Low56.1Low167 Ų167113.1 Ų113.166%0.65565%0.653SS**  trans-132.4113.2-170.9-61.8-69.3000109.5G200 S232 T234G200-Y202 PolarHBondContact O-N 3.43Å; Y202-S232 WeakPolarHBondContact CD1-OG 3.42Å; Y202-T234 HydrophobicContact CD1-CG2 4.07Å; Y202-T234 HydrophobicContact CE1-CG2 4Å
203V64.6Low57.8Low51 Ų51111.7 Ų111.731%0.30965%0.654SS.*BIsolated β-bridgetrans-97.1141.4176.4-178.50000108.5Y223 C233V203-Y223 HydrophobicContact CB-CD1 4.21Å; V203-Y223 HydrophobicContact CB-CE1 4.05Å; V203-Y223 HydrophobicContact CG2-CD1 4.07Å; V203-Y223 HydrophobicContact CG2-CE1 3.44Å; V203-Y223 VanDerWaalsContact CG2-CE1 3.44Å; V203-C233 HydrophobicContact CB-CB 4.31Å; V203-C233 PolarHBondContact N-O 2.91Å; V203-C233 VanDerWaalsContact O-CB 3.29Å; V203-C233 WeakPolarHBondContact O-CB 3.47Å; V203-C233 PolarHBondContact O-N 2.87Å
204R64.9Low59.2Low220 Ų220109.6 Ų109.683%0.8364%0.642SS**PPolyproline II helixtrans-73145177-77.6-172.6176.1-165.2-0.5110.6
205P66.6Low60.6Low30 Ų30104.2 Ų104.220%0.19562%0.615CS.*PPolyproline II helixtrans-62.5141176.7-16.527.7000111.7C217 Y231 C233P205-C217 HydrophobicContact CB-CB 3.67Å; P205-C217 HydrophobicContact CG-CB 3.96Å; P205-Y231 WeakPolarHBondContact CD-O 3.3Å; P205-Y231 VanDerWaalsContact CG-O 3.27Å; P205-Y231 WeakPolarHBondContact CG-O 3.37Å; P205-C233 VanDerWaalsContact CA-SG 3.57Å
206S67Low62Low67 Ų67103.8 Ų103.847%0.46960%0.602SS.*SBendtrans-74.6-27.1-177.750.30000112.6T218S206-T218 PolarHBondContact N-O 3.36Å; S206-T218 PolarHBondContact OG-O 3.36Å; S206-T218 VanDerWaalsContact OG-O 3.05Å
207R75.8Confident63.7Low180 Ų18099.4 Ų99.468%0.67957%0.566SS**EExtended strand (participates in β ladder)trans-155.3135.1177-170174.5176.4178-1.3111.8C217 T218R207-C217 CarbonylContact O-C 3.46Å; R207-C217 VanDerWaalsContact O-CA 3.23Å; R207-C217 WeakPolarHBondContact O-CA 3.35Å; R207-T218 PolarHBondContact N-O 2.95Å; R207-T218 PolarHBondContact O-N 3.01Å; R207-T218 PolarHBondContact O-OG1 2.88Å
208C76.9Confident65.1Low64 Ų6497.8 Ų97.843%0.43255%0.546SS..EExtended strand (participates in β ladder)trans-126.7135174.6-61.50000110.9T215 H216 C217C208-T215 HydrophobicContact CB-CG2 4.16Å; C208-H216 CarbonylContact C-O 3.57Å; C208-H216 WeakPolarHBondContact CA-O 3.24Å; C208-C217 HydrophobicContact CB-CB 4.06Å; C208-C217 WeakPolarHBondContact CB-SG 3.46Å; C208-C217 WeakPolarHBondContact SG-CB 3.48Å; C208-C217 CovalentContact SG-SG 2.03Å; C208-C217 PolarHBondContact SG-SG 3.29Å
209T78.3Confident67.3Low61 Ų6192.3 Ų92.337%0.37451%0.513SS..EExtended strand (participates in β ladder)trans-130.8140.2176.254.50000110.5H216T209-H216 PolarHBondContact N-O 3.44Å; T209-H216 PolarHBondContact O-N 3.33Å
210I72.9Confident69.1Low133 Ų13389.9 Ų89.968%0.68249%0.491SS*.EExtended strand (participates in β ladder)trans-90.4118.8176.8-57.3170.7000107.9
211V73.2Confident70.7Confident77 Ų7792.9 Ų92.947%0.46750%0.502SS..EExtended strand (participates in β ladder)trans-122.1118.8177.3-174.50000107.1G213 T214V211-G213 PolarHBondContact O-N 2.91Å; V211-G213 VanDerWaalsContact O-N 3.11Å; V211-T214 PolarHBondContact N-O 3.5Å; V211-T214 PolarHBondContact O-N 3.17Å; V211-T214 PolarHBondContact O-OG1 3.11Å
212Q67.6Low71.5Confident198 Ų19889.7 Ų89.793%0.92548%0.476SS*.THydrogen-bonded Turntrans53.532.7177.6-59.6-179.7-12.900115.4T214Q212-T214 VanDerWaalsContact C-N 3.34Å
213G69Low72.8Confident70 Ų7083.4 Ų83.472%0.72245%0.451SS*.THydrogen-bonded Turntrans85.9-1.8178.700000114.9V211V211-G213 PolarHBondContact O-N 2.91Å; V211-G213 VanDerWaalsContact O-N 3.11Å
214T66.9Low73.6Confident100 Ų10084.5 Ų84.561%0.61346%0.458SS*.EExtended strand (participates in β ladder)trans-106.6136.7170.744.70000111V211 Q212V211-T214 PolarHBondContact N-O 3.5Å; V211-T214 PolarHBondContact O-N 3.17Å; V211-T214 PolarHBondContact O-OG1 3.11Å; Q212-T214 VanDerWaalsContact C-N 3.34Å
215T69.7Low74.3Confident36 Ų3677.1 Ų77.122%0.22144%0.435CS..EExtended strand (participates in β ladder)trans-86.2114.6179.1-49.30000109.9C208 S230 Y231C208-T215 HydrophobicContact CB-CG2 4.16Å; T215-S230 WeakPolarHBondContact O-CB 3.38Å; T215-Y231 VanDerWaalsContact CB-OH 3.26Å; T215-Y231 WeakPolarHBondContact CB-OH 3.33Å; T215-Y231 HydrophobicContact CG2-CE1 3.61Å; T215-Y231 PolarHBondContact OG1-OH 3.26Å
216H71.6Confident74.4Confident110 Ų11077.1 Ų77.151%0.50944%0.436SS..EExtended strand (participates in β ladder)trans-101.3111.7175.2-174.5-79.2000109.6C208 T209C208-H216 CarbonylContact C-O 3.57Å; C208-H216 WeakPolarHBondContact CA-O 3.24Å; T209-H216 PolarHBondContact N-O 3.44Å; T209-H216 PolarHBondContact O-N 3.33Å
217C75.9Confident74.2Confident2 Ų277.4 Ų77.41%0.01445%0.449CS..EExtended strand (participates in β ladder)trans-103.6150173.3-58.90000111.6P205 R207 C208 I225 S230P205-C217 HydrophobicContact CB-CB 3.67Å; P205-C217 HydrophobicContact CG-CB 3.96Å; R207-C217 CarbonylContact O-C 3.46Å; R207-C217 VanDerWaalsContact O-CA 3.23Å; R207-C217 WeakPolarHBondContact O-CA 3.35Å; C208-C217 HydrophobicContact CB-CB 4.06Å; C208-C217 WeakPolarHBondContact CB-SG 3.46Å; C208-C217 WeakPolarHBondContact SG-CB 3.48Å; C208-C217 CovalentContact SG-SG 2.03Å; C208-C217 PolarHBondContact SG-SG 3.29Å; C217-I225 WeakPolarHBondContact O-CD1 3.31Å; C217-S230 WeakPolarHBondContact CB-O 3.43Å; C217-S230 PolarHBondContact SG-O 2.75Å
218T76.7Confident73.4Confident62 Ų6280.2 Ų80.238%0.3846%0.46SS..EExtended strand (participates in β ladder)trans-115.7142.7171.657.20000109.3S206 R207S206-T218 PolarHBondContact N-O 3.36Å; S206-T218 PolarHBondContact OG-O 3.36Å; S206-T218 VanDerWaalsContact OG-O 3.05Å; R207-T218 PolarHBondContact N-O 2.95Å; R207-T218 PolarHBondContact O-N 3.01Å; R207-T218 PolarHBondContact O-OG1 2.88Å
219C79.8Confident72.6Confident24 Ų2482.9 Ų82.916%0.16247%0.47CS..PPolyproline II helixtrans-93.6165.3174.9-600000111.1C233C219-C233 VanDerWaalsContact CA-SG 3.5Å; C219-C233 HydrophobicContact CB-CB 3.77Å; C219-C233 WeakPolarHBondContact CB-SG 3.14Å; C219-C233 WeakPolarHBondContact SG-CB 3.35Å; C219-C233 CovalentContact SG-SG 2.03Å; C219-C233 PolarHBondContact SG-SG 3.08Å
220E78.9Confident72Confident104 Ų10482 Ų8249%0.48647%0.466SS..PPolyproline II helixtrans-65.2156.9168.9-64.5-170.2156.600111.1G222 Y223E220-G222 PolarHBondContact O-N 2.92Å; E220-Y223 HydrophobicContact CB-CD2 4.04Å; E220-Y223 HydrophobicContact CB-CE2 4.48Å; E220-Y223 WeakPolarHBondContact O-CB 3.36Å; E220-Y223 PolarHBondContact O-N 2.79Å; E220-Y223 VanDerWaalsContact O-N 3.09Å
221P76.1Confident71.9Confident115 Ų11582.2 Ų82.275%0.74746%0.459SS*.THydrogen-bonded Turntrans-52.7137173.1-24.534.5000111.3
222G72.9Confident72.1Confident12 Ų1280 Ų8012%0.12445%0.447CS..THydrogen-bonded Turntrans87.61.6-174.600000114.6E220 I236E220-G222 PolarHBondContact O-N 2.92Å; G222-I236 WeakPolarHBondContact O-CB 3.45Å; G222-I236 WeakPolarHBondContact O-CG1 3.44Å; G222-I236 PolarHBondContact O-N 2.81Å
223Y82.6Confident72.8Confident35 Ų3570.7 Ų70.714%0.13740%0.404CS..EExtended strand (participates in β ladder)trans-124.9150.5177.2-63.5-96000112.1V203 E220 T234 D235 P259 G260V203-Y223 HydrophobicContact CB-CD1 4.21Å; V203-Y223 HydrophobicContact CB-CE1 4.05Å; V203-Y223 HydrophobicContact CG2-CD1 4.07Å; V203-Y223 HydrophobicContact CG2-CE1 3.44Å; V203-Y223 VanDerWaalsContact CG2-CE1 3.44Å; E220-Y223 HydrophobicContact CB-CD2 4.04Å; E220-Y223 HydrophobicContact CB-CE2 4.48Å; E220-Y223 WeakPolarHBondContact O-CB 3.36Å; E220-Y223 PolarHBondContact O-N 2.79Å; E220-Y223 VanDerWaalsContact O-N 3.09Å; Y223-T234 CarbonylContact C-O 3.57Å; Y223-T234 WeakPolarHBondContact CA-O 3.45Å; Y223-D235 VanDerWaalsContact CD1-CA 3.48Å; Y223-D235 HydrophobicContact CD1-CB 4.11Å; Y223-D235 HydrophobicContact CE1-CB 3.92Å; Y223-P259 WeakPolarHBondContact OH-CA 3.37Å; Y223-P259 VanDerWaalsContact OH-CB 3.23Å; Y223-P259 WeakPolarHBondContact OH-CB 3.23Å; Y223-G260 VanDerWaalsContact CZ-N 3.35Å; Y223-G260 PolarHBondContact OH-N 2.89Å; Y223-G260 VanDerWaalsContact OH-N 3.15Å
224T81.3Confident73.5Confident74 Ų7469.1 Ų69.145%0.45438%0.38SS..EExtended strand (participates in β ladder)trans-125.8155.6176.9-170.50000111.5S226 C233 T234 I236T224-S226 PolarHBondContact O-N 2.78Å; T224-C233 CarbonylContact O-C 3.56Å; T224-C233 WeakPolarHBondContact O-CA 3.46Å; T224-T234 PolarHBondContact N-O 2.91Å; T224-T234 PolarHBondContact O-N 2.81Å; T224-T234 PolarHBondContact O-OG1 2.77Å; T224-I236 HydrophobicContact CG2-CG1 4.01Å
225I80.8Confident74.3Confident65 Ų6566.6 Ų66.633%0.33336%0.363SS..EExtended strand (participates in β ladder)trans-75.8125.9-179.9-58.5169.1000109.1C217 S232C217-I225 WeakPolarHBondContact O-CD1 3.31Å; I225-S232 WeakPolarHBondContact CA-O 3.4Å
226S67.8Low74.9Confident31 Ų3167.1 Ų67.122%0.21736%0.364CS..  trans-93.1121.3-179.3-16.60000110.7T224 S232 T234T224-S226 PolarHBondContact O-N 2.78Å; S226-S232 PolarHBondContact N-O 2.72Å; S226-S232 PolarHBondContact OG-O 3.4Å; S226-T234 WeakPolarHBondContact CB-OG1 3.36Å; S226-T234 VanDerWaalsContact OG-CB 3.23Å; S226-T234 WeakPolarHBondContact OG-CB 3.25Å; S226-T234 WeakPolarHBondContact OG-CG2 3.08Å; S226-T234 PolarHBondContact OG-N 3.25Å; S226-T234 PolarHBondContact OG-OG1 2.92Å
227G64.4Low75.5Confident73 Ų7364 Ų6475%0.75335%0.351SS*.SBendtrans79.8-171.9167.900000115.7D229G227-D229 VanDerWaalsContact C-N 3.28Å
228R58.7Low76.1Confident239 Ų23964.5 Ų64.590%0.90235%0.353SS*.SBendtrans-75.1-20.3-176.3-160.8-177-68.3-1411.2112.5
229D60Low76.5Confident120 Ų12062 Ų6264%0.64234%0.338SS*.SBendtrans-96.1108.2-178.6-57.4-38.2000108.7G227 Y231G227-D229 VanDerWaalsContact C-N 3.28Å; D229-Y231 HydrophobicContact CB-CD2 4.4Å; D229-Y231 PolarHBondContact O-N 2.86Å
230S65.6Low76.9Confident43 Ų4367.3 Ų67.330%0.30136%0.36SS..THydrogen-bonded Turntrans-68.327.3-169.8-48.70000115.5T215 C217T215-S230 WeakPolarHBondContact O-CB 3.38Å; C217-S230 WeakPolarHBondContact CB-O 3.43Å; C217-S230 PolarHBondContact SG-O 2.75Å
231Y69.6Low76.9Confident137 Ų13766.8 Ų66.854%0.53736%0.361SS..THydrogen-bonded Turntrans-119.90.4-168.1-57.7-77.1000114.8P205 T215 D229P205-Y231 WeakPolarHBondContact CD-O 3.3Å; P205-Y231 VanDerWaalsContact CG-O 3.27Å; P205-Y231 WeakPolarHBondContact CG-O 3.37Å; T215-Y231 VanDerWaalsContact CB-OH 3.26Å; T215-Y231 WeakPolarHBondContact CB-OH 3.33Å; T215-Y231 HydrophobicContact CG2-CE1 3.61Å; T215-Y231 PolarHBondContact OG1-OH 3.26Å; D229-Y231 HydrophobicContact CB-CD2 4.4Å; D229-Y231 PolarHBondContact O-N 2.86Å
232S78.9Confident77.2Confident31 Ų3165.5 Ų65.522%0.21734%0.343CS..  trans-123.6129.9-178.2179.50000110.4Y202 I225 S226Y202-S232 WeakPolarHBondContact CD1-OG 3.42Å; I225-S232 WeakPolarHBondContact CA-O 3.4Å; S226-S232 PolarHBondContact N-O 2.72Å; S226-S232 PolarHBondContact OG-O 3.4Å
233C81.3Confident77.7Confident1 Ų166 Ų661%0.00734%0.343CS..EExtended strand (participates in β ladder)trans-103.4127.3173-60.90000109.7V203 P205 C219 T224V203-C233 HydrophobicContact CB-CB 4.31Å; V203-C233 PolarHBondContact N-O 2.91Å; V203-C233 VanDerWaalsContact O-CB 3.29Å; V203-C233 WeakPolarHBondContact O-CB 3.47Å; V203-C233 PolarHBondContact O-N 2.87Å; P205-C233 VanDerWaalsContact CA-SG 3.57Å; C219-C233 VanDerWaalsContact CA-SG 3.5Å; C219-C233 HydrophobicContact CB-CB 3.77Å; C219-C233 WeakPolarHBondContact CB-SG 3.14Å; C219-C233 WeakPolarHBondContact SG-CB 3.35Å; C219-C233 CovalentContact SG-SG 2.03Å; C219-C233 PolarHBondContact SG-SG 3.08Å; T224-C233 CarbonylContact O-C 3.56Å; T224-C233 WeakPolarHBondContact O-CA 3.46Å
234T83.4Confident77.8Confident38 Ų3870.2 Ų70.223%0.23337%0.367CS..EExtended strand (participates in β ladder)trans-107.1142.7169.738.40000109.4Y202 Y223 T224 S226Y202-T234 HydrophobicContact CD1-CG2 4.07Å; Y202-T234 HydrophobicContact CE1-CG2 4Å; Y223-T234 CarbonylContact C-O 3.57Å; Y223-T234 WeakPolarHBondContact CA-O 3.45Å; T224-T234 PolarHBondContact N-O 2.91Å; T224-T234 PolarHBondContact O-N 2.81Å; T224-T234 PolarHBondContact O-OG1 2.77Å; S226-T234 WeakPolarHBondContact CB-OG1 3.36Å; S226-T234 VanDerWaalsContact OG-CB 3.23Å; S226-T234 WeakPolarHBondContact OG-CB 3.25Å; S226-T234 WeakPolarHBondContact OG-CG2 3.08Å; S226-T234 PolarHBondContact OG-N 3.25Å; S226-T234 PolarHBondContact OG-OG1 2.92Å
235D83.6Confident77.7Confident46 Ų4667.7 Ų67.725%0.24636%0.356CS..EExtended strand (participates in β ladder)trans-56.9139.9174-173.263.4000111.2Y223 D237 N257 P259 G260Y223-D235 VanDerWaalsContact CD1-CA 3.48Å; Y223-D235 HydrophobicContact CD1-CB 4.11Å; Y223-D235 HydrophobicContact CE1-CB 3.92Å; D235-D237 PolarHBondContact O-N 2.96Å; D235-N257 PolarHBondContact OD2-ND2 2.85Å; D235-N257 PolarHBondContact OD2-OD1 3.47Å; D235-P259 WeakPolarHBondContact OD1-CA 3.39Å; D235-G260 PolarHBondContact OD1-N 3.23Å
236I83.1Confident77Confident48 Ų4871.4 Ų71.425%0.24639%0.385CS..  trans-85.5108.9173.1-63.3172.1000106.7G222 T224 E238 L241G222-I236 WeakPolarHBondContact O-CB 3.45Å; G222-I236 WeakPolarHBondContact O-CG1 3.44Å; G222-I236 PolarHBondContact O-N 2.81Å; T224-I236 HydrophobicContact CG2-CG1 4.01Å; I236-E238 HydrophobicContact CG2-CG 4.43Å; I236-E238 PolarHBondContact O-N 2.83Å; I236-E238 VanDerWaalsContact O-OE2 3.13Å; I236-L241 HydrophobicContact CG2-CD1 3.56Å
237D84.6Confident76.6Confident43 Ų4373.6 Ų73.623%0.2340%0.404CS..  trans-7394.1175.6-163.7-45.4000110.6D235 C239 E240 L241 N257D235-D237 PolarHBondContact O-N 2.96Å; D237-C239 PolarHBondContact O-N 3.37Å; D237-C239 WeakPolarHBondContact OD1-CA 3.41Å; D237-C239 VanDerWaalsContact OD1-CB 3.25Å; D237-C239 WeakPolarHBondContact OD1-CB 3.37Å; D237-C239 PolarHBondContact OD1-N 2.7Å; D237-E240 HydrophobicContact CB-CB 4.19Å; D237-E240 HydrophobicContact CB-CG 4.25Å; D237-E240 PolarHBondContact O-N 2.96Å; D237-E240 PolarHBondContact OD1-N 3.09Å; D237-L241 WeakPolarHBondContact O-CG 3.49Å; D237-L241 PolarHBondContact O-N 2.99Å; D237-L241 VanDerWaalsContact O-N 3.11Å; D237-N257 VanDerWaalsContact CG-ND2 3.29Å; D237-N257 PolarHBondContact OD2-ND2 2.86Å
238E87.2Confident76.7Confident13 Ų1372 Ų726%0.06139%0.388CS..Hα-helixtrans-67.7-22179.1-60.795.1169.400112.5I236 F242 H243 L250 G261 Y262I236-E238 HydrophobicContact CG2-CG 4.43Å; I236-E238 PolarHBondContact O-N 2.83Å; I236-E238 VanDerWaalsContact O-OE2 3.13Å; E238-F242 HydrophobicContact CB-CD2 3.83Å; E238-F242 HydrophobicContact CB-CE2 4.41Å; E238-F242 HydrophobicContact CG-CD2 4.12Å; E238-F242 HydrophobicContact CG-CE2 4.22Å; E238-F242 WeakPolarHBondContact O-CA 3.41Å; E238-F242 WeakPolarHBondContact O-CB 3.32Å; E238-F242 PolarHBondContact O-N 2.03Å; E238-H243 PolarHBondContact O-N 3.42Å; E238-L250 HydrophobicContact CB-CD2 4.04Å; E238-G261 WeakPolarHBondContact OE1-CA 3.12Å; E238-G261 WeakPolarHBondContact OE2-CA 3.45Å; E238-Y262 HydrophobicContact CB-CD1 3.75Å; E238-Y262 HydrophobicContact CB-CE1 4.49Å; E238-Y262 HydrophobicContact CB-CG 4.22Å; E238-Y262 HydrophobicContact CG-CD1 4.02Å; E238-Y262 PolarHBondContact OE2-N 2.03Å
239C86.5Confident77.7Confident10 Ų1067 Ų677%0.06837%0.373CS..Iπ-helixtrans-71.5-42.8176.6-600000110.9D237 H243 N244 C255 V256 N257D237-C239 PolarHBondContact O-N 3.37Å; D237-C239 WeakPolarHBondContact OD1-CA 3.41Å; D237-C239 VanDerWaalsContact OD1-CB 3.25Å; D237-C239 WeakPolarHBondContact OD1-CB 3.37Å; D237-C239 PolarHBondContact OD1-N 2.7Å; C239-H243 HydrophobicContact CB-CB 4.48Å; C239-H243 WeakPolarHBondContact O-CA 3.33Å; C239-H243 VanDerWaalsContact O-CB 3.25Å; C239-H243 WeakPolarHBondContact O-CB 3.46Å; C239-H243 PolarHBondContact O-N 3.36Å; C239-H243 VanDerWaalsContact O-N 3.14Å; C239-N244 PolarHBondContact O-N 3.07Å; C239-C255 WeakPolarHBondContact CA-SG 3.33Å; C239-C255 HydrophobicContact CB-CB 3.72Å; C239-C255 WeakPolarHBondContact CB-SG 3.26Å; C239-C255 WeakPolarHBondContact SG-CB 3.41Å; C239-C255 CovalentContact SG-SG 2.04Å; C239-C255 PolarHBondContact SG-SG 2.82Å; C239-V256 PolarHBondContact SG-N 3.48Å; C239-N257 PolarHBondContact SG-N 3.25Å
240E87.3Confident78.8Confident135 Ų13562.6 Ų62.663%0.63135%0.349SS*.Iπ-helixtrans-66.6-43.6174.2-70.1-167.2162.500111.9D237 G245D237-E240 HydrophobicContact CB-CB 4.19Å; D237-E240 HydrophobicContact CB-CG 4.25Å; D237-E240 PolarHBondContact O-N 2.96Å; D237-E240 PolarHBondContact OD1-N 3.09Å; E240-G245 PolarHBondContact O-N 3.4Å
241L79.8Confident79.9Confident94 Ų9460.6 Ų60.649%0.49234%0.335SS..Iπ-helixtrans-77.2-41.3-173.9-65175.2000113.8I236 D237I236-L241 HydrophobicContact CG2-CD1 3.56Å; D237-L241 WeakPolarHBondContact O-CG 3.49Å; D237-L241 PolarHBondContact O-N 2.99Å; D237-L241 VanDerWaalsContact O-N 3.11Å
242F81.5Confident80.8Confident87 Ų8756.7 Ų56.738%0.38232%0.323SS..Iπ-helixtrans-121.3-10.5-168.3-52.6-72.6000114.9E238 A247 G248 L250E238-F242 HydrophobicContact CB-CD2 3.83Å; E238-F242 HydrophobicContact CB-CE2 4.41Å; E238-F242 HydrophobicContact CG-CD2 4.12Å; E238-F242 HydrophobicContact CG-CE2 4.22Å; E238-F242 WeakPolarHBondContact O-CA 3.41Å; E238-F242 WeakPolarHBondContact O-CB 3.32Å; E238-F242 PolarHBondContact O-N 2.03Å; F242-A247 HydrophobicContact CD1-CB 4.05Å; F242-G248 CarbonylContact C-O 3.57Å; F242-G248 CarbonylContact O-C 3.6Å; F242-L250 HydrophobicContact CB-CB 4.43Å; F242-L250 HydrophobicContact CB-CD1 4.38Å; F242-L250 HydrophobicContact CB-CD2 4.24Å; F242-L250 PolarHBondContact O-N 3.31Å
243H83.1Confident81.4Confident24 Ų2458.1 Ų58.111%0.11133%0.326CS..Iπ-helixtrans-103.5-43.8174.7-173.966000112.9E238 C239 G248 L250 C251 H253 C255E238-H243 PolarHBondContact O-N 3.42Å; C239-H243 HydrophobicContact CB-CB 4.48Å; C239-H243 WeakPolarHBondContact O-CA 3.33Å; C239-H243 VanDerWaalsContact O-CB 3.25Å; C239-H243 WeakPolarHBondContact O-CB 3.46Å; C239-H243 PolarHBondContact O-N 3.36Å; C239-H243 VanDerWaalsContact O-N 3.14Å; H243-G248 CarbonylContact C-O 3.45Å; H243-L250 HydrophobicContact CB-CB 3.88Å; H243-L250 PolarHBondContact ND1-N 2.96Å; H243-C251 PolarHBondContact CE1-O 2.94Å; H243-C251 VanDerWaalsContact CE1-O 3.22Å; H243-C251 PolarHBondContact ND1-N 3.31Å; H243-H253 PolarHBondContact CE1-O 3.25Å; H243-H253 PolarHBondContact NE2-O 3.45Å; H243-C255 HydrophobicContact CB-CB 3.79Å; H243-C255 VanDerWaalsContact CD2-CB 3.43Å; H243-C255 WeakPolarHBondContact CD2-CB 3.47Å; H243-C255 VanDerWaalsContact CG-CB 3.5Å
244N85.7Confident81.8Confident122 Ų12263.8 Ų63.865%0.65235%0.351SS*.SBendtrans-98.8-10.1177.2-61.1-32.8000112.5C239C239-N244 PolarHBondContact O-N 3.07Å
245G77.9Confident82.1Confident22 Ų2262.7 Ų62.723%0.22735%0.345CS..SBendtrans-83.9179.8-178.300000114.3E240 A247E240-G245 PolarHBondContact O-N 3.4Å; G245-A247 PolarHBondContact O-N 2.9Å
246P67.5Low82.4Confident143 Ų14362.3 Ų62.393%0.92934%0.344SS*.THydrogen-bonded Turntrans-71.1-13.3-177.629.1-34.7000113.7G248P246-G248 PolarHBondContact O-N 3.1Å
247A58.8Low82.4Confident76 Ų7662.3 Ų62.363%0.62834%0.344SS*.THydrogen-bonded Turntrans-76.6-4-177.300000114.2F242 G245F242-A247 HydrophobicContact CD1-CB 4.05Å; G245-A247 PolarHBondContact O-N 2.9Å
248G66.4Low82.4Confident39 Ų3961.9 Ų61.940%0.40234%0.343SS..  trans116.4-158.9174.900000113.3F242 H243 P246F242-G248 CarbonylContact C-O 3.57Å; F242-G248 CarbonylContact O-C 3.6Å; H243-G248 CarbonylContact C-O 3.45Å; P246-G248 PolarHBondContact O-N 3.1Å
249K80.1Confident82Confident134 Ų13466.6 Ų66.658%0.58338%0.375SS*.  trans-112.599.1-174.5-153.2-170.8-173.1-1740110.4C251 L252K249-C251 WeakPolarHBondContact CG-O 3.49Å; K249-C251 PolarHBondContact O-N 2.9Å; K249-L252 WeakPolarHBondContact CE-O 3.43Å; K249-L252 PolarHBondContact NZ-O 2.93Å
250L83.9Confident81.5Confident28 Ų2867.5 Ų67.515%0.14739%0.386CS..SBendtrans-59.1-45.7-176.7-169.461.5000114.6E238 F242 H243 Y262E238-L250 HydrophobicContact CB-CD2 4.04Å; F242-L250 HydrophobicContact CB-CB 4.43Å; F242-L250 HydrophobicContact CB-CD1 4.38Å; F242-L250 HydrophobicContact CB-CD2 4.24Å; F242-L250 PolarHBondContact O-N 3.31Å; H243-L250 HydrophobicContact CB-CB 3.88Å; H243-L250 PolarHBondContact ND1-N 2.96Å; L250-Y262 HydrophobicContact CD1-CE1 4.27Å; L250-Y262 HydrophobicContact CD1-CE2 4.19Å; L250-Y262 WeakPolarHBondContact CD1-OH 3.22Å; L250-Y262 HydrophobicContact CD2-CD1 3.75Å; L250-Y262 HydrophobicContact CD2-CD2 3.52Å; L250-Y262 HydrophobicContact CD2-CE1 3.6Å; L250-Y262 HydrophobicContact CD2-CE2 3.36Å; L250-Y262 HydrophobicContact CD2-CG 3.72Å; L250-Y262 VanDerWaalsContact CD2-CZ 3.4Å; L250-Y262 HydrophobicContact CG-CD2 4.11Å; L250-Y262 HydrophobicContact CG-CE1 4.19Å; L250-Y262 HydrophobicContact CG-CE2 3.48Å; L250-Y262 VanDerWaalsContact CG-CE2 3.48Å
251C87.7Confident81.3Confident1 Ų161.7 Ų61.71%0.00736%0.363CS..SBendtrans-106.7148.1175.5-60.50000110.5H243 K249 H253 C255 C264H243-C251 PolarHBondContact CE1-O 2.94Å; H243-C251 VanDerWaalsContact CE1-O 3.22Å; H243-C251 PolarHBondContact ND1-N 3.31Å; K249-C251 WeakPolarHBondContact CG-O 3.49Å; K249-C251 PolarHBondContact O-N 2.9Å; C251-H253 VanDerWaalsContact C-N 3.31Å; C251-H253 PolarHBondContact O-N 2.86Å; C251-C255 HydrophobicContact CB-CB 4.35Å; C251-C264 WeakPolarHBondContact CA-SG 3.47Å; C251-C264 HydrophobicContact CB-CB 3.6Å; C251-C264 WeakPolarHBondContact CB-SG 3.38Å; C251-C264 WeakPolarHBondContact SG-CA 3.04Å; C251-C264 WeakPolarHBondContact SG-CB 3.46Å; C251-C264 CovalentContact SG-SG 2.02Å; C251-C264 PolarHBondContact SG-SG 3.48Å
252L89.4Confident81.6Confident55 Ų5560.3 Ų60.329%0.28835%0.351SS..SBendtrans-60.8-41.9175.6-176.667.5000111.9K249 R277 C279 F446K249-L252 WeakPolarHBondContact CE-O 3.43Å; K249-L252 PolarHBondContact NZ-O 2.93Å; L252-R277 WeakPolarHBondContact CB-O 3.44Å; L252-R277 PolarHBondContact N-O 3.5Å; L252-C279 HydrophobicContact CD2-CB 3.85Å; L252-C279 VanDerWaalsContact CD2-N 3.26Å; L252-F446 HydrophobicContact CD1-CB 3.97Å; L252-F446 HydrophobicContact CD1-CG 4.25Å; L252-F446 HydrophobicContact CD2-CB 3.95Å; L252-F446 HydrophobicContact CD2-CD1 4.46Å; L252-F446 HydrophobicContact CD2-CD2 3.59Å; L252-F446 HydrophobicContact CD2-CE2 4.2Å; L252-F446 HydrophobicContact CD2-CG 3.75Å; L252-F446 HydrophobicContact CG-CB 4.16Å; L252-F446 HydrophobicContact CG-CD1 4.18Å; L252-F446 HydrophobicContact CG-CD2 4.18Å; L252-F446 HydrophobicContact CG-CG 3.92Å
253H89.9Confident81.8Confident61 Ų6163 Ų6328%0.28236%0.359SS..SBendtrans-112.9-92.2178.1-173.566.7000113.6H243 C251 P267 Y444 F446H243-H253 PolarHBondContact CE1-O 3.25Å; H243-H253 PolarHBondContact NE2-O 3.45Å; C251-H253 VanDerWaalsContact C-N 3.31Å; C251-H253 PolarHBondContact O-N 2.86Å; H253-P267 HydrophobicContact CB-CG 4.41Å; H253-Y444 AromaticContact CE1-CE1 3.95Å; H253-F446 HydrophobicContact CB-CE1 4.37Å; H253-F446 HydrophobicContact CB-CZ 4.19Å
254K90.4Very high82.2Confident120 Ų12062.5 Ų62.552%0.52236%0.358SS..EExtended strand (participates in β ladder)trans-113.2126.2-172.4176.3178.7-177.5178.90110.9V256 C264 S265K254-V256 HydrophobicContact CG-CG2 4.37Å; K254-C264 WeakPolarHBondContact O-CA 3.27Å; K254-S265 WeakPolarHBondContact CB-OG 3.01Å; K254-S265 WeakPolarHBondContact CG-OG 3.41Å; K254-S265 PolarHBondContact N-O 2.91Å; K254-S265 VanDerWaalsContact N-O 3.13Å; K254-S265 PolarHBondContact O-N 3.31Å; K254-S265 PolarHBondContact O-OG 2.48Å
255C90.8Very high82.5Confident16 Ų1658.3 Ų58.311%0.10834%0.338CS..EExtended strand (participates in β ladder)trans-87.4137.2169-170.70000110.7C239 H243 C251C239-C255 WeakPolarHBondContact CA-SG 3.33Å; C239-C255 HydrophobicContact CB-CB 3.72Å; C239-C255 WeakPolarHBondContact CB-SG 3.26Å; C239-C255 WeakPolarHBondContact SG-CB 3.41Å; C239-C255 CovalentContact SG-SG 2.04Å; C239-C255 PolarHBondContact SG-SG 2.82Å; H243-C255 HydrophobicContact CB-CB 3.79Å; H243-C255 VanDerWaalsContact CD2-CB 3.43Å; H243-C255 WeakPolarHBondContact CD2-CB 3.47Å; H243-C255 VanDerWaalsContact CG-CB 3.5Å; C251-C255 HydrophobicContact CB-CB 4.35Å
256V88.5Confident83.3Confident37 Ų3758.5 Ų58.522%0.22434%0.336CS..EExtended strand (participates in β ladder)trans-124.2114.5173.7-178.50000108.2C239 K254 R263C239-V256 PolarHBondContact SG-N 3.48Å; K254-V256 HydrophobicContact CG-CG2 4.37Å; V256-R263 HydrophobicContact CB-CG 4.09Å; V256-R263 PolarHBondContact N-O 2.94Å; V256-R263 PolarHBondContact O-N 3.14Å
257N84Confident84.6Confident48 Ų4852.3 Ų52.326%0.25730%0.296SS..EExtended strand (participates in β ladder)trans-66.9141.9176.9-171.129.9000110.3D235 D237 C239 G261D235-N257 PolarHBondContact OD2-ND2 2.85Å; D235-N257 PolarHBondContact OD2-OD1 3.47Å; D237-N257 VanDerWaalsContact CG-ND2 3.29Å; D237-N257 PolarHBondContact OD2-ND2 2.86Å; C239-N257 PolarHBondContact SG-N 3.25Å; N257-G261 PolarHBondContact OD1-O 3.36Å
258T83.8Confident86.1Confident34 Ų3453.2 Ų53.221%0.20930%0.303CS..EExtended strand (participates in β ladder)trans-136.6153.9179.346.80000110.3G260 G261 Y262 R263T258-G260 PolarHBondContact O-N 3.29Å; T258-G261 CarbonylContact C-O 3.58Å; T258-G261 VanDerWaalsContact C-O 3.31Å; T258-G261 VanDerWaalsContact CA-O 3.32Å; T258-G261 WeakPolarHBondContact CA-O 3.42Å; T258-G261 WeakPolarHBondContact CB-O 3.41Å; T258-G261 PolarHBondContact N-O 3.27Å; T258-G261 CarbonylContact O-C 3.52Å; T258-G261 PolarHBondContact O-N 2.84Å; T258-G261 PolarHBondContact OG1-O 3.22Å; T258-Y262 WeakPolarHBondContact OG1-CA 3.46Å; T258-Y262 PolarHBondContact OG1-N 2.83Å; T258-R263 HydrophobicContact CG2-CG 4.38Å
259P79.9Confident87.3Confident112 Ų11252.2 Ų52.273%0.72729%0.293SS*.THydrogen-bonded Turntrans-57.4116.6175.1-23.834.3000111.6Y223 D235Y223-P259 WeakPolarHBondContact OH-CA 3.37Å; Y223-P259 VanDerWaalsContact OH-CB 3.23Å; Y223-P259 WeakPolarHBondContact OH-CB 3.23Å; D235-P259 WeakPolarHBondContact OD1-CA 3.39Å
260G74.8Confident88Confident29 Ų2946.4 Ų46.430%0.29927%0.267SS..THydrogen-bonded Turntrans82.312179.700000115.3Y223 D235 T258Y223-G260 VanDerWaalsContact CZ-N 3.35Å; Y223-G260 PolarHBondContact OH-N 2.89Å; Y223-G260 VanDerWaalsContact OH-N 3.15Å; D235-G260 PolarHBondContact OD1-N 3.23Å; T258-G260 PolarHBondContact O-N 3.29Å
261G83.7Confident88.4Confident14 Ų1449.9 Ų49.914%0.14429%0.286CS..EExtended strand (participates in β ladder)trans169.2-160.6178.200000114.2E238 N257 T258E238-G261 WeakPolarHBondContact OE1-CA 3.12Å; E238-G261 WeakPolarHBondContact OE2-CA 3.45Å; N257-G261 PolarHBondContact OD1-O 3.36Å; T258-G261 CarbonylContact C-O 3.58Å; T258-G261 VanDerWaalsContact C-O 3.31Å; T258-G261 VanDerWaalsContact CA-O 3.32Å; T258-G261 WeakPolarHBondContact CA-O 3.42Å; T258-G261 WeakPolarHBondContact CB-O 3.41Å; T258-G261 PolarHBondContact N-O 3.27Å; T258-G261 CarbonylContact O-C 3.52Å; T258-G261 PolarHBondContact O-N 2.84Å; T258-G261 PolarHBondContact OG1-O 3.22Å
262Y86.6Confident88.6Confident64 Ų6452.8 Ų52.825%0.25130%0.303SS..EExtended strand (participates in β ladder)trans-136.8163.7176.770.6-77.6000111.3E238 L250 T258 R277E238-Y262 HydrophobicContact CB-CD1 3.75Å; E238-Y262 HydrophobicContact CB-CE1 4.49Å; E238-Y262 HydrophobicContact CB-CG 4.22Å; E238-Y262 HydrophobicContact CG-CD1 4.02Å; E238-Y262 PolarHBondContact OE2-N 2.03Å; L250-Y262 HydrophobicContact CD1-CE1 4.27Å; L250-Y262 HydrophobicContact CD1-CE2 4.19Å; L250-Y262 WeakPolarHBondContact CD1-OH 3.22Å; L250-Y262 HydrophobicContact CD2-CD1 3.75Å; L250-Y262 HydrophobicContact CD2-CD2 3.52Å; L250-Y262 HydrophobicContact CD2-CE1 3.6Å; L250-Y262 HydrophobicContact CD2-CE2 3.36Å; L250-Y262 HydrophobicContact CD2-CG 3.72Å; L250-Y262 VanDerWaalsContact CD2-CZ 3.4Å; L250-Y262 HydrophobicContact CG-CD2 4.11Å; L250-Y262 HydrophobicContact CG-CE1 4.19Å; L250-Y262 HydrophobicContact CG-CE2 3.48Å; L250-Y262 VanDerWaalsContact CG-CE2 3.48Å; T258-Y262 WeakPolarHBondContact OG1-CA 3.46Å; T258-Y262 PolarHBondContact OG1-N 2.83Å; Y262-R277 VanDerWaalsContact OH-CZ 3.32Å; Y262-R277 PolarHBondContact OH-NE 3.44Å; Y262-R277 VanDerWaalsContact OH-NE 3.14Å; Y262-R277 PolarHBondContact OH-NH2 2.95Å; Y262-R277 VanDerWaalsContact OH-NH2 3.13Å
263R85.8Confident88.6Confident144 Ų14452.1 Ų52.154%0.54330%0.302SS..EExtended strand (participates in β ladder)trans-130.8144.6165.269.3-179.6-173.4-79.52.3111.2V256 T258V256-R263 HydrophobicContact CB-CG 4.09Å; V256-R263 PolarHBondContact N-O 2.94Å; V256-R263 PolarHBondContact O-N 3.14Å; T258-R263 HydrophobicContact CG2-CG 4.38Å
264C91.3Very high88.6Confident13 Ų1361.7 Ų61.79%0.08834%0.335CS..EExtended strand (participates in β ladder)trans-86.2146.4171-56.90000110.7C251 K254 G276C251-C264 WeakPolarHBondContact CA-SG 3.47Å; C251-C264 HydrophobicContact CB-CB 3.6Å; C251-C264 WeakPolarHBondContact CB-SG 3.38Å; C251-C264 WeakPolarHBondContact SG-CA 3.04Å; C251-C264 WeakPolarHBondContact SG-CB 3.46Å; C251-C264 CovalentContact SG-SG 2.02Å; C251-C264 PolarHBondContact SG-SG 3.48Å; K254-C264 WeakPolarHBondContact O-CA 3.27Å; C264-G276 VanDerWaalsContact CB-O 3.23Å; C264-G276 WeakPolarHBondContact CB-O 3.4Å; C264-G276 PolarHBondContact SG-O 2.92Å; C264-G276 VanDerWaalsContact SG-O 3.34Å
265S91.4Very high88.4Confident34 Ų3459.9 Ų59.924%0.23833%0.332CS..EExtended strand (participates in β ladder)trans-130.7140.7175.8580000109.9K254K254-S265 WeakPolarHBondContact CB-OG 3.01Å; K254-S265 WeakPolarHBondContact CG-OG 3.41Å; K254-S265 PolarHBondContact N-O 2.91Å; K254-S265 VanDerWaalsContact N-O 3.13Å; K254-S265 PolarHBondContact O-N 3.31Å; K254-S265 PolarHBondContact O-OG 2.48Å
266C94.4Very high88.2Confident27 Ų2760.8 Ų60.818%0.18234%0.344CS..PPolyproline II helixtrans-103.2157.6-179.2-64.70000111C279C266-C279 VanDerWaalsContact CA-SG 3.51Å; C266-C279 HydrophobicContact CB-CB 3.77Å; C266-C279 WeakPolarHBondContact CB-SG 3.05Å; C266-C279 WeakPolarHBondContact SG-CA 3.38Å; C266-C279 WeakPolarHBondContact SG-CB 3.36Å; C266-C279 CovalentContact SG-SG 2.03Å; C266-C279 PolarHBondContact SG-SG 2.87Å
267P94.4Very high88.1Confident13 Ų1364.9 Ų64.98%0.08436%0.355CS..PPolyproline II helixtrans-60166.5171.7-20.432.8000112.6H253 G269 Y270 Y444 F446H253-P267 HydrophobicContact CB-CG 4.41Å; P267-G269 PolarHBondContact O-N 3.1Å; P267-Y270 HydrophobicContact CB-CD2 4.08Å; P267-Y270 HydrophobicContact CG-CD2 4.41Å; P267-Y270 PolarHBondContact O-N 3.3Å; P267-Y444 HydrophobicContact CB-CD2 4.48Å; P267-Y444 HydrophobicContact CB-CE2 3.53Å; P267-Y444 WeakPolarHBondContact CB-OH 3.26Å; P267-Y444 HydrophobicContact CG-CD2 4.17Å; P267-Y444 HydrophobicContact CG-CE1 3.94Å; P267-Y444 HydrophobicContact CG-CE2 3.55Å; P267-Y444 VanDerWaalsContact CG-CZ 3.42Å; P267-F446 HydrophobicContact CG-CZ 4.02Å
268A92.1Very high88.4Confident94 Ų9464.8 Ų64.878%0.77736%0.358SS*.THydrogen-bonded Turntrans-56.2140.1169.600000110.6Y270A268-Y270 WeakPolarHBondContact O-CD2 3.24Å
269G91.3Very high88.8Confident18 Ų1863.8 Ų63.819%0.18635%0.352CS..THydrogen-bonded Turntrans852.9-174.500000114.5P267 I282P267-G269 PolarHBondContact O-N 3.1Å; G269-I282 WeakPolarHBondContact O-CB 3Å; G269-I282 WeakPolarHBondContact O-CG1 3.45Å; G269-I282 PolarHBondContact O-N 3.01Å
270Y94.7Very high89.4Confident13 Ų1365.4 Ų65.45%0.05135%0.348CS..EExtended strand (participates in β ladder)trans-130.7144.2179.3-63.7-100.3000112.2P267 A268 C279 K280 D281 Y302 G303 S442 Y444 F446P267-Y270 HydrophobicContact CB-CD2 4.08Å; P267-Y270 HydrophobicContact CG-CD2 4.41Å; P267-Y270 PolarHBondContact O-N 3.3Å; A268-Y270 WeakPolarHBondContact O-CD2 3.24Å; Y270-C279 HydrophobicContact CD1-CB 4.23Å; Y270-C279 HydrophobicContact CG-CB 4.48Å; Y270-K280 CarbonylContact C-O 3.59Å; Y270-K280 WeakPolarHBondContact CA-O 3.43Å; Y270-D281 HydrophobicContact CD1-CB 4.2Å; Y270-D281 HydrophobicContact CE1-CB 4.05Å; Y270-Y302 WeakPolarHBondContact OH-CB 3.27Å; Y270-Y302 PolarHBondContact OH-O 3.15Å; Y270-G303 PolarHBondContact OH-N 3.03Å; Y270-S442 PolarHBondContact OH-OG 2.79Å; Y270-Y444 AromaticContact CE2-CD2 3.9Å; Y270-Y444 HydrophobicContact CE2-CD2 3.9Å; Y270-Y444 HydrophobicContact CE2-CE2 4.14Å; Y270-F446 HydrophobicContact CD1-CE2 4.19Å; Y270-F446 HydrophobicContact CE1-CD2 4.47Å; Y270-F446 AromaticContact CE1-CE2 4Å; Y270-F446 HydrophobicContact CE1-CE2 4Å
271N92.6Very high90.3Very high101 Ų10165.4 Ų65.454%0.5434%0.341SS..EExtended strand (participates in β ladder)trans-106.8146.5171.7-82.4-30.7000111.5T273 C279 K280 I282N271-T273 PolarHBondContact O-N 2.83Å; N271-C279 WeakPolarHBondContact O-CA 3.4Å; N271-K280 PolarHBondContact N-O 2.97Å; N271-K280 PolarHBondContact O-N 3.23Å; N271-I282 HydrophobicContact CB-CG1 4.39Å
272V90.8Very high90.8Very high61 Ų6166.6 Ų66.637%0.3734%0.344SS..EExtended strand (participates in β ladder)trans-67.6132171.7-174.30000108.8G276 S278V272-G276 VanDerWaalsContact CG1-C 3.48Å; V272-S278 WeakPolarHBondContact CA-O 3.36Å
273T90.8Very high91.2Very high42 Ų4266.6 Ų66.626%0.25835%0.348SS..  trans-73.8171.8177.739.90000112.2N271 D275 G276 S278 K280N271-T273 PolarHBondContact O-N 2.83Å; T273-D275 VanDerWaalsContact CB-OD1 3.3Å; T273-D275 WeakPolarHBondContact CB-OD1 3.29Å; T273-D275 PolarHBondContact O-N 3.39Å; T273-D275 VanDerWaalsContact O-N 3.15Å; T273-D275 PolarHBondContact OG1-OD1 2.85Å; T273-G276 PolarHBondContact O-N 3.42Å; T273-S278 PolarHBondContact N-O 3.01Å; T273-S278 VanDerWaalsContact OG1-CA 3.26Å; T273-S278 WeakPolarHBondContact OG1-CA 3.34Å; T273-S278 WeakPolarHBondContact OG1-CB 3.32Å; T273-S278 PolarHBondContact OG1-N 2.82Å; T273-S278 PolarHBondContact OG1-O 3Å; T273-K280 HydrophobicContact CG2-CB 3.61Å
274R89.4Confident91.6Very high261 Ų26160.7 Ų60.799%0.98533%0.327SS*.THydrogen-bonded Turntrans-60.4-24.8-177.2-67.4-176.8179171-0.4114G276R274-G276 PolarHBondContact O-N 2.86Å
275D85.9Confident91.8Very high83 Ų8361.6 Ų61.644%0.44433%0.332SS..THydrogen-bonded Turntrans-68.7-10.7173.567.1-13.7000113.2T273 R277 S278T273-D275 VanDerWaalsContact CB-OD1 3.3Å; T273-D275 WeakPolarHBondContact CB-OD1 3.29Å; T273-D275 PolarHBondContact O-N 3.39Å; T273-D275 VanDerWaalsContact O-N 3.15Å; T273-D275 PolarHBondContact OG1-OD1 2.85Å; D275-R277 PolarHBondContact O-N 3.49Å; D275-R277 PolarHBondContact OD1-N 2.85Å; D275-S278 PolarHBondContact OD1-N 3.46Å; D275-S278 VanDerWaalsContact OD1-N 3.1Å; D275-S278 WeakPolarHBondContact OD2-CB 3.3Å; D275-S278 PolarHBondContact OD2-N 3.41Å; D275-S278 PolarHBondContact OD2-OG 2.02Å
276G86.6Confident91.9Very high35 Ų3563.3 Ų63.336%0.36135%0.349SS..SBendtrans70.38.6-176.500000114.1C264 V272 T273 R274C264-G276 VanDerWaalsContact CB-O 3.23Å; C264-G276 WeakPolarHBondContact CB-O 3.4Å; C264-G276 PolarHBondContact SG-O 2.92Å; C264-G276 VanDerWaalsContact SG-O 3.34Å; V272-G276 VanDerWaalsContact CG1-C 3.48Å; T273-G276 PolarHBondContact O-N 3.42Å; R274-G276 PolarHBondContact O-N 2.86Å
277R86.6Confident91.6Very high123 Ų12365.4 Ų65.446%0.46436%0.361SS..SBendtrans-129.4-35.2-169.5-65.9-178.4-174.7-169.94.6114.7L252 Y262 D275L252-R277 WeakPolarHBondContact CB-O 3.44Å; L252-R277 PolarHBondContact N-O 3.5Å; Y262-R277 VanDerWaalsContact OH-CZ 3.32Å; Y262-R277 PolarHBondContact OH-NE 3.44Å; Y262-R277 VanDerWaalsContact OH-NE 3.14Å; Y262-R277 PolarHBondContact OH-NH2 2.95Å; Y262-R277 VanDerWaalsContact OH-NH2 3.13Å; D275-R277 PolarHBondContact O-N 3.49Å; D275-R277 PolarHBondContact OD1-N 2.85Å
278S89.4Confident91Very high45 Ų4575.4 Ų75.432%0.31540%0.397SS..  trans-93.8164.7-178.5-45.90000112.3V272 T273 D275V272-S278 WeakPolarHBondContact CA-O 3.36Å; T273-S278 PolarHBondContact N-O 3.01Å; T273-S278 VanDerWaalsContact OG1-CA 3.26Å; T273-S278 WeakPolarHBondContact OG1-CA 3.34Å; T273-S278 WeakPolarHBondContact OG1-CB 3.32Å; T273-S278 PolarHBondContact OG1-N 2.82Å; T273-S278 PolarHBondContact OG1-O 3Å; D275-S278 PolarHBondContact OD1-N 3.46Å; D275-S278 VanDerWaalsContact OD1-N 3.1Å; D275-S278 WeakPolarHBondContact OD2-CB 3.3Å; D275-S278 PolarHBondContact OD2-N 3.41Å; D275-S278 PolarHBondContact OD2-OG 2.02Å
279C92.7Very high90.7Very high13 Ų1377 Ų779%0.08839%0.389CS..EExtended strand (participates in β ladder)trans-117128.4-179.8-60.40000109.5L252 C266 Y270 N271 F446L252-C279 HydrophobicContact CD2-CB 3.85Å; L252-C279 VanDerWaalsContact CD2-N 3.26Å; C266-C279 VanDerWaalsContact CA-SG 3.51Å; C266-C279 HydrophobicContact CB-CB 3.77Å; C266-C279 WeakPolarHBondContact CB-SG 3.05Å; C266-C279 WeakPolarHBondContact SG-CA 3.38Å; C266-C279 WeakPolarHBondContact SG-CB 3.36Å; C266-C279 CovalentContact SG-SG 2.03Å; C266-C279 PolarHBondContact SG-SG 2.87Å; Y270-C279 HydrophobicContact CD1-CB 4.23Å; Y270-C279 HydrophobicContact CG-CB 4.48Å; N271-C279 WeakPolarHBondContact O-CA 3.4Å; C279-F446 HydrophobicContact CB-CD2 4.34Å; C279-F446 HydrophobicContact CB-CE2 3.83Å
280K92.1Very high90.4Very high146 Ų14678 Ų7864%0.63539%0.39SS*.EExtended strand (participates in β ladder)trans-114.8130.4175.4-179.2176.1179.1178.80109.6Y270 N271 T273Y270-K280 CarbonylContact C-O 3.59Å; Y270-K280 WeakPolarHBondContact CA-O 3.43Å; N271-K280 PolarHBondContact N-O 2.97Å; N271-K280 PolarHBondContact O-N 3.23Å; T273-K280 HydrophobicContact CG2-CB 3.61Å
281D94.8Very high90.2Very high30 Ų3084.6 Ų84.616%0.1643%0.426CS..EExtended strand (participates in β ladder)trans-54.9139.2175.2-174.965.4000111.7Y270 N300 Y302 G303Y270-D281 HydrophobicContact CD1-CB 4.2Å; Y270-D281 HydrophobicContact CE1-CB 4.05Å; D281-N300 PolarHBondContact OD2-ND2 2.68Å; D281-Y302 HydrophobicContact CB-CD1 4.44Å; D281-Y302 WeakPolarHBondContact OD1-CA 3.4Å; D281-G303 PolarHBondContact OD1-N 3.02Å
282I93.6Very high90.2Very high39 Ų3981 Ų8120%0.241%0.408CS..  trans-87.6114.3174.8-61.2172.6000107.3G269 N271 E284G269-I282 WeakPolarHBondContact O-CB 3Å; G269-I282 WeakPolarHBondContact O-CG1 3.45Å; G269-I282 PolarHBondContact O-N 3.01Å; N271-I282 HydrophobicContact CB-CG1 4.39Å; I282-E284 HydrophobicContact CG2-CG 4.29Å; I282-E284 PolarHBondContact O-N 3.07Å
283D94.9Very high90.2Very high64 Ų6481.2 Ų81.234%0.34241%0.41SS..  trans-79.491.9176.7-170.1-23.6000110.5C285 A286 T287 N300D283-C285 PolarHBondContact O-N 3.5Å; D283-C285 WeakPolarHBondContact OD1-CA 3.41Å; D283-C285 WeakPolarHBondContact OD1-CB 3.38Å; D283-C285 PolarHBondContact OD1-N 2.88Å; D283-C285 VanDerWaalsContact OD1-N 3.11Å; D283-A286 HydrophobicContact CB-CB 3.96Å; D283-A286 VanDerWaalsContact CG-CB 3.41Å; D283-A286 PolarHBondContact O-N 3.13Å; D283-A286 PolarHBondContact OD1-N 2.8Å; D283-A286 WeakPolarHBondContact OD2-CB 2.97Å; D283-T287 WeakPolarHBondContact O-CB 3.48Å; D283-T287 WeakPolarHBondContact O-CG2 3.38Å; D283-T287 PolarHBondContact O-N 2.98Å; D283-T287 PolarHBondContact O-OG1 3.43Å; D283-N300 WeakPolarHBondContact CA-OD1 3.44Å
284E94.9Very high89.9Confident20 Ų2087.9 Ų87.99%0.09344%0.444CS..THydrogen-bonded Turntrans-69.4-22.3179.7-56.991.5173.400112.4I282 T287 R288 Q289 N290 N300 G304 F305I282-E284 HydrophobicContact CG2-CG 4.29Å; I282-E284 PolarHBondContact O-N 3.07Å; E284-T287 WeakPolarHBondContact CA-OG1 3.49Å; E284-R288 PolarHBondContact O-N 3.27Å; E284-Q289 HydrophobicContact CB-CB 4.36Å; E284-Q289 PolarHBondContact O-N 2.02Å; E284-N290 PolarHBondContact O-N 3.34Å; E284-N290 PolarHBondContact O-ND2 2.9Å; E284-N300 PolarHBondContact OE2-OD1 3.09Å; E284-G304 WeakPolarHBondContact OE1-CA 3.45Å; E284-G304 WeakPolarHBondContact OE2-CA 3.46Å; E284-F305 HydrophobicContact CB-CB 4.27Å; E284-F305 HydrophobicContact CB-CD1 3.49Å; E284-F305 VanDerWaalsContact CB-CD1 3.49Å; E284-F305 HydrophobicContact CB-CE1 4.11Å; E284-F305 HydrophobicContact CB-CG 4.05Å; E284-F305 HydrophobicContact CG-CD1 3.71Å; E284-F305 HydrophobicContact CG-CE1 4.22Å; E284-F305 PolarHBondContact OE2-N 3.25Å
285C93.7Very high89.7Confident31 Ų3179.4 Ų79.421%0.20942%0.418CS..THydrogen-bonded Turntrans-72.2-42.6175-61.10000111.4D283 N290 C298 N300D283-C285 PolarHBondContact O-N 3.5Å; D283-C285 WeakPolarHBondContact OD1-CA 3.41Å; D283-C285 WeakPolarHBondContact OD1-CB 3.38Å; D283-C285 PolarHBondContact OD1-N 2.88Å; D283-C285 VanDerWaalsContact OD1-N 3.11Å; C285-N290 WeakPolarHBondContact CA-ND2 3.29Å; C285-C298 WeakPolarHBondContact CA-SG 3.38Å; C285-C298 HydrophobicContact CB-CB 3.86Å; C285-C298 WeakPolarHBondContact CB-SG 3.44Å; C285-C298 WeakPolarHBondContact SG-CB 3.01Å; C285-C298 CovalentContact SG-SG 2.04Å; C285-C298 PolarHBondContact SG-SG 3.19Å; C285-N300 HydrophobicContact CB-CB 4.36Å; C285-N300 PolarHBondContact SG-N 3.18Å
286A93.4Very high90Very high71 Ų7178.3 Ų78.359%0.58741%0.41SS*.THydrogen-bonded Turntrans-73.5-38.2177.800000112.7D283 R288D283-A286 HydrophobicContact CB-CB 3.96Å; D283-A286 VanDerWaalsContact CG-CB 3.41Å; D283-A286 PolarHBondContact O-N 3.13Å; D283-A286 PolarHBondContact OD1-N 2.8Å; D283-A286 WeakPolarHBondContact OD2-CB 2.97Å; A286-R288 PolarHBondContact O-N 3.12Å
287T88.8Confident90.2Very high70 Ų7079.7 Ų79.743%0.42941%0.408SS..THydrogen-bonded Turntrans-80.8-2-179.156.80000113.8D283 E284 Q289D283-T287 WeakPolarHBondContact O-CB 3.48Å; D283-T287 WeakPolarHBondContact O-CG2 3.38Å; D283-T287 PolarHBondContact O-N 2.98Å; D283-T287 PolarHBondContact O-OG1 3.43Å; E284-T287 WeakPolarHBondContact CA-OG1 3.49Å; T287-Q289 PolarHBondContact O-N 2.9Å
288R82.2Confident90.6Very high224 Ų22475.4 Ų75.485%0.84540%0.396SS*.THydrogen-bonded Turntrans5530.8-174.2-55.6-174-178.4-176.61113.4E284 A286 N290E284-R288 PolarHBondContact O-N 3.27Å; A286-R288 PolarHBondContact O-N 3.12Å; R288-N290 VanDerWaalsContact C-N 3.28Å
289Q85.5Confident90.9Very high128 Ų12874.1 Ų74.160%0.59839%0.386SS*.  trans-93.711.4172.4-63.5-179.21000111.7E284 T287E284-Q289 HydrophobicContact CB-CB 4.36Å; E284-Q289 PolarHBondContact O-N 2.02Å; T287-Q289 PolarHBondContact O-N 2.9Å
290N85.1Confident91Very high39 Ų3975.6 Ų75.621%0.20939%0.393CS..  trans-81.5132173.160.890.9000110.9E284 C285 R288 C292 C298 F305E284-N290 PolarHBondContact O-N 3.34Å; E284-N290 PolarHBondContact O-ND2 2.9Å; C285-N290 WeakPolarHBondContact CA-ND2 3.29Å; R288-N290 VanDerWaalsContact C-N 3.28Å; N290-C292 PolarHBondContact O-N 3.39Å; N290-C298 HydrophobicContact CB-CB 4.34Å; N290-C298 WeakPolarHBondContact CB-SG 3.22Å; N290-C298 VanDerWaalsContact CG-SG 3.52Å; N290-F305 HydrophobicContact CB-CD2 3.69Å; N290-F305 HydrophobicContact CB-CE2 3.67Å; N290-F305 HydrophobicContact CB-CG 4.18Å; N290-F305 HydrophobicContact CB-CZ 4.14Å
291N90.3Very high91.1Very high151 Ų15169.5 Ų69.581%0.80737%0.368SS*.  trans-88.134.1175.1-74.3-6.7000111.9
292C92.1Very high91Very high24 Ų2472.6 Ų72.616%0.16238%0.379CS..  trans-76.1144.5179.3-58.90000111.1N290 Q296 C307N290-C292 PolarHBondContact O-N 3.39Å; C292-Q296 HydrophobicContact CB-CB 4.19Å; C292-C307 WeakPolarHBondContact CA-SG 3.3Å; C292-C307 HydrophobicContact CB-CB 3.82Å; C292-C307 WeakPolarHBondContact CB-SG 3.12Å; C292-C307 VanDerWaalsContact SG-CA 3.56Å; C292-C307 WeakPolarHBondContact SG-CB 3.26Å; C292-C307 CovalentContact SG-SG 2.03Å; C292-C307 PolarHBondContact SG-SG 2.97Å
293T91.8Very high90.9Very high67 Ų6772.2 Ų72.241%0.41138%0.384SS..  trans-74.2159.5173.160.30000111.1D295 Q296T293-D295 WeakPolarHBondContact CB-OD1 3.35Å; T293-D295 PolarHBondContact O-N 3.25Å; T293-D295 PolarHBondContact OG1-OD1 2.86Å; T293-Q296 WeakPolarHBondContact O-CB 3.3Å; T293-Q296 PolarHBondContact O-N 3.27Å; T293-Q296 VanDerWaalsContact OG1-CG 3.22Å; T293-Q296 WeakPolarHBondContact OG1-CG 3.29Å; T293-Q296 PolarHBondContact OG1-OE1 2.84Å
294N83.7Confident90.8Very high182 Ų18269.8 Ų69.897%0.97338%0.375SS*.THydrogen-bonded Turntrans-58-23.3-176.6-73.3-30000114.7
295D86.4Confident90.8Very high83 Ų8371.6 Ų71.644%0.44438%0.382SS..THydrogen-bonded Turntrans-93.9-3.3179.166.1-55.9000113.5T293 R309T293-D295 WeakPolarHBondContact CB-OD1 3.35Å; T293-D295 PolarHBondContact O-N 3.25Å; T293-D295 PolarHBondContact OG1-OD1 2.86Å; D295-R309 IonicContact OD1-NH2 2.61Å; D295-R309 IonicContact OD2-CZ 3.07Å; D295-R309 IonicContact OD2-NE 2.71Å; D295-R309 PolarHBondContact OD2-NE 2.82Å; D295-R309 IonicContact OD2-NH2 2.65Å; D295-R309 PolarHBondContact OD2-NH2 2.79Å
296Q91.5Very high90.8Very high60 Ų6074.6 Ų74.628%0.2839%0.393SS..SBendtrans-99.6149.1174.7-69.4171-17.600110.6C292 T293 C307 R309C292-Q296 HydrophobicContact CB-CB 4.19Å; T293-Q296 WeakPolarHBondContact O-CB 3.3Å; T293-Q296 PolarHBondContact O-N 3.27Å; T293-Q296 VanDerWaalsContact OG1-CG 3.22Å; T293-Q296 WeakPolarHBondContact OG1-CG 3.29Å; T293-Q296 PolarHBondContact OG1-OE1 2.84Å; Q296-C307 HydrophobicContact CB-CB 4.15Å; Q296-C307 HydrophobicContact CG-CB 4.44Å; Q296-C307 VanDerWaalsContact OE1-CB 3.31Å; Q296-R309 HydrophobicContact CG-CB 4.44Å
297M91.6Very high90.9Very high64 Ų6473 Ų7332%0.31538%0.377SS..EExtended strand (participates in β ladder)trans-97.6135.3169-179.6-178.4-65.100109.7C307 V308 P325 M326M297-C307 CarbonylContact O-C 3.58Å; M297-C307 WeakPolarHBondContact O-CA 3.36Å; M297-V308 HydrophobicContact CB-CG2 4.04Å; M297-V308 PolarHBondContact N-O 2.81Å; M297-V308 PolarHBondContact O-N 3.16Å; M297-P325 HydrophobicContact CE-CB 3.36Å; M297-P325 HydrophobicContact CE-CG 4.38Å; M297-M326 HydrophobicContact CE-CE 3.8Å; M297-M326 HydrophobicContact CE-CG 3.93Å; M297-M326 HydrophobicContact CE-SD 3.7Å; M297-M326 HydrophobicContact SD-CE 3.13Å; M297-M326 WeakPolarHBondContact SD-CE 3.47Å; M297-M326 HydrophobicContact SD-CG 4.47Å; M297-M326 HydrophobicContact SD-SD 3.78Å
298C94.4Very high91.1Very high32 Ų3270.6 Ų70.622%0.21636%0.362CS..EExtended strand (participates in β ladder)trans-81128170.3-168.50000110.5C285 N290C285-C298 WeakPolarHBondContact CA-SG 3.38Å; C285-C298 HydrophobicContact CB-CB 3.86Å; C285-C298 WeakPolarHBondContact CB-SG 3.44Å; C285-C298 WeakPolarHBondContact SG-CB 3.01Å; C285-C298 CovalentContact SG-SG 2.04Å; C285-C298 PolarHBondContact SG-SG 3.19Å; N290-C298 HydrophobicContact CB-CB 4.34Å; N290-C298 WeakPolarHBondContact CB-SG 3.22Å; N290-C298 VanDerWaalsContact CG-SG 3.52Å
299V94.9Very high91.6Very high18 Ų1865.9 Ų65.911%0.10935%0.345CS..EExtended strand (participates in β ladder)trans-115.8118.4170.2178.40000108.1F305 Q306 V308 Y351 F440V299-F305 CarbonylContact O-C 3.55Å; V299-F305 WeakPolarHBondContact O-CA 3.45Å; V299-Q306 PolarHBondContact N-O 3.47Å; V299-Q306 PolarHBondContact O-N 3.22Å; V299-V308 HydrophobicContact CG2-CG1 4.2Å; V299-V308 HydrophobicContact CG2-CG2 3.64Å; V299-Y351 HydrophobicContact CG2-CD2 4.15Å; V299-Y351 HydrophobicContact CG2-CG 3.99Å; V299-F440 HydrophobicContact CB-CE2 4.48Å; V299-F440 HydrophobicContact CG1-CD2 4.31Å; V299-F440 HydrophobicContact CG1-CE2 4.01Å
300N94.7Very high92Very high44 Ų4460.1 Ų60.124%0.23532%0.318CS..EExtended strand (participates in β ladder)trans-71.8136.8177-165.954.2000110.3D281 D283 E284 C285 A353D281-N300 PolarHBondContact OD2-ND2 2.68Å; D283-N300 WeakPolarHBondContact CA-OD1 3.44Å; E284-N300 PolarHBondContact OE2-OD1 3.09Å; C285-N300 HydrophobicContact CB-CB 4.36Å; C285-N300 PolarHBondContact SG-N 3.18Å; N300-A353 WeakPolarHBondContact O-CB 3.04Å
301T94.7Very high92.4Very high18 Ų1863.5 Ų63.511%0.1134%0.336CS..EExtended strand (participates in β ladder)trans-130.3156.9179.963.40000110.9G303 G304 Q306 A353 F440T301-G303 PolarHBondContact O-N 3.23Å; T301-G304 CarbonylContact C-O 3.5Å; T301-G304 VanDerWaalsContact C-O 3.25Å; T301-G304 VanDerWaalsContact CA-O 3.24Å; T301-G304 WeakPolarHBondContact CA-O 3.37Å; T301-G304 WeakPolarHBondContact CB-O 3.36Å; T301-G304 PolarHBondContact N-O 3.18Å; T301-G304 CarbonylContact O-C 3.57Å; T301-G304 PolarHBondContact O-N 2.04Å; T301-G304 VanDerWaalsContact O-N 3.11Å; T301-G304 PolarHBondContact OG1-O 3.11Å; T301-Q306 HydrophobicContact CG2-CB 4.48Å; T301-Q306 HydrophobicContact CG2-CG 4.11Å; T301-A353 HydrophobicContact CG2-CB 4.35Å; T301-F440 HydrophobicContact CG2-CB 3.77Å; T301-F440 HydrophobicContact CG2-CD2 3.58Å; T301-F440 HydrophobicContact CG2-CE2 4.33Å; T301-F440 HydrophobicContact CG2-CG 3.78Å
302Y93.6Very high92.6Very high96 Ų9657.8 Ų57.838%0.37631%0.308SS..THydrogen-bonded Turntrans-68.4106.8177.7-73.6-76.5000110.7Y270 D281 A353 V355 S442Y270-Y302 WeakPolarHBondContact OH-CB 3.27Å; Y270-Y302 PolarHBondContact OH-O 3.15Å; D281-Y302 HydrophobicContact CB-CD1 4.44Å; D281-Y302 WeakPolarHBondContact OD1-CA 3.4Å; Y302-A353 HydrophobicContact CD2-CB 3.9Å; Y302-A353 HydrophobicContact CE2-CB 4.15Å; Y302-V355 HydrophobicContact CD1-CG1 4.35Å; Y302-V355 HydrophobicContact CD2-CG1 4.29Å; Y302-V355 HydrophobicContact CE1-CG1 4.24Å; Y302-V355 HydrophobicContact CE2-CG1 4.2Å; Y302-V355 HydrophobicContact CG-CG1 4.38Å; Y302-S442 PolarHBondContact O-OG 3.11Å; Y302-S442 VanDerWaalsContact O-OG 3.14Å
303G90.6Very high92.7Very high31 Ų3158.1 Ų58.132%0.3231%0.31SS..THydrogen-bonded Turntrans97.410.6-177.100000114.9Y270 D281 T301Y270-G303 PolarHBondContact OH-N 3.03Å; D281-G303 PolarHBondContact OD1-N 3.02Å; T301-G303 PolarHBondContact O-N 3.23Å
304G93.1Very high92.8Very high13 Ų1365 Ų6513%0.13433%0.333CS..EExtended strand (participates in β ladder)trans163.2-157.5176.400000113.8E284 T301E284-G304 WeakPolarHBondContact OE1-CA 3.45Å; E284-G304 WeakPolarHBondContact OE2-CA 3.46Å; T301-G304 CarbonylContact C-O 3.5Å; T301-G304 VanDerWaalsContact C-O 3.25Å; T301-G304 VanDerWaalsContact CA-O 3.24Å; T301-G304 WeakPolarHBondContact CA-O 3.37Å; T301-G304 WeakPolarHBondContact CB-O 3.36Å; T301-G304 PolarHBondContact N-O 3.18Å; T301-G304 CarbonylContact O-C 3.57Å; T301-G304 PolarHBondContact O-N 2.04Å; T301-G304 VanDerWaalsContact O-N 3.11Å; T301-G304 PolarHBondContact OG1-O 3.11Å
305F94.7Very high93.2Very high57 Ų5758.7 Ų58.725%0.2530%0.299CS..EExtended strand (participates in β ladder)trans-135162.2179.365.4-79.8000112.1E284 N290 V299 C307E284-F305 HydrophobicContact CB-CB 4.27Å; E284-F305 HydrophobicContact CB-CD1 3.49Å; E284-F305 VanDerWaalsContact CB-CD1 3.49Å; E284-F305 HydrophobicContact CB-CE1 4.11Å; E284-F305 HydrophobicContact CB-CG 4.05Å; E284-F305 HydrophobicContact CG-CD1 3.71Å; E284-F305 HydrophobicContact CG-CE1 4.22Å; E284-F305 PolarHBondContact OE2-N 3.25Å; N290-F305 HydrophobicContact CB-CD2 3.69Å; N290-F305 HydrophobicContact CB-CE2 3.67Å; N290-F305 HydrophobicContact CB-CG 4.18Å; N290-F305 HydrophobicContact CB-CZ 4.14Å; V299-F305 CarbonylContact O-C 3.55Å; V299-F305 WeakPolarHBondContact O-CA 3.45Å; F305-C307 VanDerWaalsContact CE2-SG 3.6Å
306Q94.8Very high93.5Very high95 Ų9559.2 Ų59.244%0.44431%0.308SS..EExtended strand (participates in β ladder)trans-126.5129.7172.1-71-61.8-5.900111.8V299 T301 V308 F440V299-Q306 PolarHBondContact N-O 3.47Å; V299-Q306 PolarHBondContact O-N 3.22Å; T301-Q306 HydrophobicContact CG2-CB 4.48Å; T301-Q306 HydrophobicContact CG2-CG 4.11Å; Q306-V308 HydrophobicContact CB-CG1 4.37Å; Q306-F440 HydrophobicContact CB-CE1 4.43Å; Q306-F440 HydrophobicContact CB-CE2 4.28Å; Q306-F440 HydrophobicContact CB-CZ 4.03Å; Q306-F440 HydrophobicContact CG-CD1 4.28Å; Q306-F440 HydrophobicContact CG-CE1 4.01Å; Q306-F440 HydrophobicContact CG-CE2 4.47Å; Q306-F440 HydrophobicContact CG-CZ 4.11Å
307C94.4Very high93.2Very high38 Ų3862.8 Ų62.826%0.25732%0.324SS..EExtended strand (participates in β ladder)trans-89.8107.7173.5-550000109.2C292 Q296 M297 F305C292-C307 WeakPolarHBondContact CA-SG 3.3Å; C292-C307 HydrophobicContact CB-CB 3.82Å; C292-C307 WeakPolarHBondContact CB-SG 3.12Å; C292-C307 VanDerWaalsContact SG-CA 3.56Å; C292-C307 WeakPolarHBondContact SG-CB 3.26Å; C292-C307 CovalentContact SG-SG 2.03Å; C292-C307 PolarHBondContact SG-SG 2.97Å; Q296-C307 HydrophobicContact CB-CB 4.15Å; Q296-C307 HydrophobicContact CG-CB 4.44Å; Q296-C307 VanDerWaalsContact OE1-CB 3.31Å; M297-C307 CarbonylContact O-C 3.58Å; M297-C307 WeakPolarHBondContact O-CA 3.36Å; F305-C307 VanDerWaalsContact CE2-SG 3.6Å
308V93.9Very high93.2Very high18 Ų1860 Ų6011%0.10931%0.312CS..EExtended strand (participates in β ladder)trans-106.2135.3-176.8-57.10000110.6M297 V299 Q306 Y351 F440M297-V308 HydrophobicContact CB-CG2 4.04Å; M297-V308 PolarHBondContact N-O 2.81Å; M297-V308 PolarHBondContact O-N 3.16Å; V299-V308 HydrophobicContact CG2-CG1 4.2Å; V299-V308 HydrophobicContact CG2-CG2 3.64Å; Q306-V308 HydrophobicContact CB-CG1 4.37Å; V308-Y351 HydrophobicContact CB-CD1 4.45Å; V308-Y351 HydrophobicContact CB-CE1 3.85Å; V308-Y351 HydrophobicContact CB-CE2 4.29Å; V308-Y351 HydrophobicContact CG1-CD1 3.9Å; V308-Y351 HydrophobicContact CG1-CE1 3.65Å; V308-Y351 HydrophobicContact CG2-CD1 4.43Å; V308-Y351 HydrophobicContact CG2-CD2 4.07Å; V308-Y351 HydrophobicContact CG2-CE1 4.07Å; V308-Y351 HydrophobicContact CG2-CE2 3.66Å; V308-Y351 HydrophobicContact CG2-CG 4.44Å; V308-F440 HydrophobicContact CG1-CZ 4.27Å
309R92.4Very high93.1Very high126 Ų12663 Ų6348%0.47533%0.328SS..  trans-110.9128.2170.3-173.2-174.2-69.61562108.9D295 Q296D295-R309 IonicContact OD1-NH2 2.61Å; D295-R309 IonicContact OD2-CZ 3.07Å; D295-R309 IonicContact OD2-NE 2.71Å; D295-R309 PolarHBondContact OD2-NE 2.82Å; D295-R309 IonicContact OD2-NH2 2.65Å; D295-R309 PolarHBondContact OD2-NH2 2.79Å; Q296-R309 HydrophobicContact CG-CB 4.44Å
310V93.1Very high93Very high6 Ų663.3 Ų63.34%0.03633%0.328CS..  trans-100111.7174.2175.50000109.2K322 P325 M326 Y349 Y351V310-K322 PolarHBondContact O-NZ 3.31Å; V310-P325 WeakPolarHBondContact CB-O 3.43Å; V310-P325 WeakPolarHBondContact CG2-O 2.99Å; V310-M326 HydrophobicContact CG2-SD 3.98Å; V310-Y349 HydrophobicContact CG1-CD1 4.14Å; V310-Y349 HydrophobicContact CG1-CD2 3.36Å; V310-Y349 HydrophobicContact CG1-CE1 4.2Å; V310-Y349 HydrophobicContact CG1-CE2 3.48Å; V310-Y349 VanDerWaalsContact CG1-CE2 3.48Å; V310-Y349 HydrophobicContact CG1-CG 3.73Å; V310-Y349 HydrophobicContact CG2-CD1 4.32Å; V310-Y349 HydrophobicContact CG2-CD2 4.41Å; V310-Y349 HydrophobicContact CG2-CG 3.99Å; V310-Y351 HydrophobicContact CG2-CE2 4.28Å; V310-Y351 WeakPolarHBondContact CG2-OH 3.46Å
311D94.1Very high93Very high111 Ų11164.6 Ų64.659%0.59434%0.337SS*.  trans-106.6133.2173-65.5-46.8000110.4Y349D311-Y349 PolarHBondContact O-OH 3.43Å; D311-Y349 VanDerWaalsContact O-OH 3.06Å
312C94.7Very high93Very high31 Ų3168.2 Ų68.221%0.20935%0.352CS..  trans-70.1141.3179.5-62.80000111.5K322 C328C312-K322 PolarHBondContact SG-N 3.18Å; C312-C328 WeakPolarHBondContact CA-SG 3.42Å; C312-C328 HydrophobicContact CB-CB 3.77Å; C312-C328 WeakPolarHBondContact CB-SG 3.3Å; C312-C328 WeakPolarHBondContact SG-CB 3.5Å; C312-C328 CovalentContact SG-SG 2.04Å; C312-C328 PolarHBondContact SG-SG 3.4Å
313P94.6Very high93Very high31 Ų3166.9 Ų66.920%0.20135%0.353CS..  trans-68139.8-174.426.8-32.5000111.3I315 Y320 F347P313-I315 HydrophobicContact CB-CD1 4.35Å; P313-I315 HydrophobicContact CB-CG1 4.16Å; P313-I315 HydrophobicContact CG-CD1 4.44Å; P313-I315 PolarHBondContact O-N 3.32Å; P313-Y320 HydrophobicContact CG-CD2 4.24Å; P313-Y320 HydrophobicContact CG-CG 4.32Å; P313-Y320 WeakPolarHBondContact O-CD2 3.46Å; P313-F347 HydrophobicContact CB-CE2 4.48Å; P313-F347 HydrophobicContact CB-CZ 4.45Å; P313-F347 HydrophobicContact CG-CD1 4.18Å; P313-F347 HydrophobicContact CG-CD2 3.44Å; P313-F347 VanDerWaalsContact CG-CD2 3.44Å; P313-F347 HydrophobicContact CG-CE1 4.13Å; P313-F347 HydrophobicContact CG-CE2 3.4Å; P313-F347 VanDerWaalsContact CG-CE2 3.4Å; P313-F347 HydrophobicContact CG-CG 3.85Å; P313-F347 HydrophobicContact CG-CZ 3.76Å
314K93.9Very high93Very high210 Ų21067.6 Ų67.691%0.91335%0.354SS*.  trans-93.796.6174.4-62.1-178-177178.30108.6
315I91.9Very high92.9Very high50 Ų5070.8 Ų70.826%0.25637%0.372SS..BIsolated β-bridgetrans-108.8135.3-179-56.7-176.8000108.9P313 H317 A318 Y320 T343 F347P313-I315 HydrophobicContact CB-CD1 4.35Å; P313-I315 HydrophobicContact CB-CG1 4.16Å; P313-I315 HydrophobicContact CG-CD1 4.44Å; P313-I315 PolarHBondContact O-N 3.32Å; I315-H317 PolarHBondContact O-N 3.3Å; I315-A318 PolarHBondContact O-N 3.39Å; I315-Y320 HydrophobicContact CB-CE2 4.16Å; I315-Y320 HydrophobicContact CD1-CE2 3.84Å; I315-Y320 HydrophobicContact CG1-CE2 4.1Å; I315-T343 HydrophobicContact CG2-CG2 3.97Å; I315-F347 HydrophobicContact CD1-CE2 4Å; I315-F347 HydrophobicContact CD1-CZ 3.77Å
316P90.9Very high92.8Very high95 Ų9570.2 Ų70.262%0.61737%0.371SS*.THydrogen-bonded Turntrans-54.1138.7173.8-25.434.5000111.5A318P316-A318 PolarHBondContact O-N 3.12Å; P316-A318 VanDerWaalsContact O-N 3.09Å
317H86.3Confident92.8Very high134 Ų13469.3 Ų69.362%0.6236%0.363SS*.THydrogen-bonded Turntrans64.75.8177.1-45.7-71.9000116.2I315 A339 C340I315-H317 PolarHBondContact O-N 3.3Å; H317-A339 HydrophobicContact CB-CB 4.25Å; H317-C340 VanDerWaalsContact O-CB 3.23Å; H317-C340 WeakPolarHBondContact O-CB 3.35Å
318A90.7Very high92.8Very high7 Ų767.5 Ų67.56%0.05835%0.351CS..BIsolated β-bridgetrans-138.9129.7174.900000111.1I315 P316 Y320 R330 T343I315-A318 PolarHBondContact O-N 3.39Å; P316-A318 PolarHBondContact O-N 3.12Å; P316-A318 VanDerWaalsContact O-N 3.09Å; A318-Y320 HydrophobicContact CB-CE2 3.85Å; A318-R330 HydrophobicContact CB-CG 4.19Å; A318-T343 HydrophobicContact CB-CG2 3.8Å; A318-T343 WeakPolarHBondContact CB-OG1 3.39Å
319T92.2Very high92.9Very high93 Ų9370 Ų7057%0.57136%0.361SS*.  trans-105.2139.8174.652.80000110R330 N331T319-R330 WeakPolarHBondContact O-CA 3.38Å; T319-N331 PolarHBondContact O-N 2.95Å; T319-N331 PolarHBondContact OG1-ND2 3.4Å
320Y94.8Very high92.9Very high26 Ų2666.3 Ų66.310%0.10235%0.347CS..EExtended strand (participates in β ladder)trans-119.3140.3-179.5-68.1-95.2000110P313 I315 A318 E329 R330 T343 P344 F347P313-Y320 HydrophobicContact CG-CD2 4.24Å; P313-Y320 HydrophobicContact CG-CG 4.32Å; P313-Y320 WeakPolarHBondContact O-CD2 3.46Å; I315-Y320 HydrophobicContact CB-CE2 4.16Å; I315-Y320 HydrophobicContact CD1-CE2 3.84Å; I315-Y320 HydrophobicContact CG1-CE2 4.1Å; A318-Y320 HydrophobicContact CB-CE2 3.85Å; Y320-E329 CarbonylContact C-O 3.58Å; Y320-E329 VanDerWaalsContact CA-O 3.3Å; Y320-E329 WeakPolarHBondContact CA-O 3.33Å; Y320-R330 HydrophobicContact CD1-CB 3.87Å; Y320-R330 HydrophobicContact CD1-CG 4.38Å; Y320-R330 HydrophobicContact CE1-CB 3.49Å; Y320-R330 VanDerWaalsContact CE1-CB 3.49Å; Y320-R330 HydrophobicContact CE1-CG 3.92Å; Y320-R330 HydrophobicContact CE2-CG 4.35Å; Y320-T343 WeakPolarHBondContact OH-CB 3.02Å; Y320-T343 PolarHBondContact OH-OG1 2.82Å; Y320-P344 VanDerWaalsContact CE1-O 3.29Å; Y320-P344 WeakPolarHBondContact CE1-O 3.49Å; Y320-P344 PolarHBondContact OH-O 3.34Å; Y320-F347 AromaticContact CD1-CD2 3.98Å; Y320-F347 HydrophobicContact CD1-CD2 3.98Å; Y320-F347 HydrophobicContact CD1-CE2 4.21Å; Y320-F347 AromaticContact CE1-CD2 3.67Å; Y320-F347 HydrophobicContact CE1-CD2 3.67Å; Y320-F347 AromaticContact CE1-CE2 3.54Å; Y320-F347 HydrophobicContact CE1-CE2 3.54Å; Y320-F347 HydrophobicContact CE2-CE2 4.3Å; Y320-F347 AromaticContact CZ-CE2 3.61Å
321V94.3Very high92.8Very high71 Ų7169 Ų6943%0.4336%0.362SS..EExtended strand (participates in β ladder)trans-117143.817565.60000109.7T323 C328 E329V321-T323 HydrophobicContact CG1-CG2 4.16Å; V321-T323 PolarHBondContact O-N 2.89Å; V321-C328 CarbonylContact O-C 3.57Å; V321-C328 VanDerWaalsContact O-CA 3.28Å; V321-C328 WeakPolarHBondContact O-CA 3.23Å; V321-E329 PolarHBondContact N-O 3.43Å; V321-E329 PolarHBondContact O-N 2.66Å
322K93.9Very high92.6Very high94 Ų9469.7 Ų69.741%0.40937%0.372SS..EExtended strand (participates in β ladder)trans-75.7108.4176.6-169167.2-178.1167.30108.9V310 C312 S324 P325 R327V310-K322 PolarHBondContact O-NZ 3.31Å; C312-K322 PolarHBondContact SG-N 3.18Å; K322-S324 WeakPolarHBondContact CE-O 3.43Å; K322-S324 WeakPolarHBondContact CG-O 3.35Å; K322-P325 VanDerWaalsContact CE-O 3.32Å; K322-P325 WeakPolarHBondContact CE-O 3.47Å; K322-R327 CarbonylContact C-O 3.57Å; K322-R327 WeakPolarHBondContact CA-O 3.31Å
323T92.9Very high92.1Very high67 Ų6769.9 Ų69.941%0.41137%0.373SS..EExtended strand (participates in β ladder)trans-92.8-20.4178.956.90000112.6V321 R327 E329V321-T323 HydrophobicContact CG1-CG2 4.16Å; V321-T323 PolarHBondContact O-N 2.89Å; T323-R327 PolarHBondContact N-O 3.43Å; T323-E329 HydrophobicContact CG2-CB 3.72Å; T323-E329 HydrophobicContact CG2-CG 3.86Å; T323-E329 PolarHBondContact OG1-OE1 3.03Å
324S91.7Very high91.7Very high47 Ų4772.6 Ų72.633%0.32939%0.391SS..EExtended strand (participates in β ladder)trans-148.3169.7169.786.80000110.2K322 M326 R327K322-S324 WeakPolarHBondContact CE-O 3.43Å; K322-S324 WeakPolarHBondContact CG-O 3.35Å; S324-M326 PolarHBondContact O-N 3.33Å; S324-M326 PolarHBondContact OG-N 2.89Å; S324-R327 PolarHBondContact N-O 2.92Å; S324-R327 PolarHBondContact O-N 2.79Å; S324-R327 VanDerWaalsContact O-N 3.16Å; S324-R327 WeakPolarHBondContact OG-CB 3.43Å; S324-R327 PolarHBondContact OG-N 3Å; S324-R327 VanDerWaalsContact OG-N 3.11Å
325P90.6Very high90.9Very high80 Ų8071.1 Ų71.152%0.51939%0.392SS..THydrogen-bonded Turntrans-51.2-27174.8-29.337.4000114.2M297 V310 K322M297-P325 HydrophobicContact CE-CB 3.36Å; M297-P325 HydrophobicContact CE-CG 4.38Å; V310-P325 WeakPolarHBondContact CB-O 3.43Å; V310-P325 WeakPolarHBondContact CG2-O 2.99Å; K322-P325 VanDerWaalsContact CE-O 3.32Å; K322-P325 WeakPolarHBondContact CE-O 3.47Å
326M92.6Very high90.3Very high45 Ų4576.1 Ų76.122%0.22242%0.42CS..THydrogen-bonded Turntrans-118.98.8-175-60.8-55.4-137.600113.9M297 V310 S324 S348 Y349 Y351M297-M326 HydrophobicContact CE-CE 3.8Å; M297-M326 HydrophobicContact CE-CG 3.93Å; M297-M326 HydrophobicContact CE-SD 3.7Å; M297-M326 HydrophobicContact SD-CE 3.13Å; M297-M326 WeakPolarHBondContact SD-CE 3.47Å; M297-M326 HydrophobicContact SD-CG 4.47Å; M297-M326 HydrophobicContact SD-SD 3.78Å; V310-M326 HydrophobicContact CG2-SD 3.98Å; S324-M326 PolarHBondContact O-N 3.33Å; S324-M326 PolarHBondContact OG-N 2.89Å; M326-S348 CarbonylContact O-C 3.58Å; M326-S348 WeakPolarHBondContact O-CA 3.23Å; M326-Y349 WeakPolarHBondContact CB-O 3.03Å; M326-Y349 PolarHBondContact O-N 3.45Å; M326-Y351 HydrophobicContact CE-CD2 3.32Å; M326-Y351 HydrophobicContact CE-CE2 3.5Å; M326-Y351 VanDerWaalsContact CE-CE2 3.5Å; M326-Y351 HydrophobicContact SD-CD2 4.17Å; M326-Y351 HydrophobicContact SD-CE2 3.71Å
327R94.3Very high89.8Confident75 Ų7573.7 Ų73.728%0.28340%0.401SS..EExtended strand (participates in β ladder)trans-139.6134.4-172.9-162.3175.3-153.5-131.41.4112.5K322 T323 S324 E329 S346 F347K322-R327 CarbonylContact C-O 3.57Å; K322-R327 WeakPolarHBondContact CA-O 3.31Å; T323-R327 PolarHBondContact N-O 3.43Å; S324-R327 PolarHBondContact N-O 2.92Å; S324-R327 PolarHBondContact O-N 2.79Å; S324-R327 VanDerWaalsContact O-N 3.16Å; S324-R327 WeakPolarHBondContact OG-CB 3.43Å; S324-R327 PolarHBondContact OG-N 3Å; S324-R327 VanDerWaalsContact OG-N 3.11Å; R327-E329 HydrophobicContact CG-CG 4.48Å; R327-E329 IonicContact CZ-OE1 3.57Å; R327-E329 IonicContact NE-OE1 2.78Å; R327-E329 IonicContact NH1-OE1 3.02Å; R327-E329 PolarHBondContact NH1-OE1 3Å; R327-S346 PolarHBondContact NH2-OG 3.05Å; R327-S346 VanDerWaalsContact NH2-OG 3.14Å; R327-F347 WeakPolarHBondContact CA-O 3.41Å
328C96.1Very high89.7Confident0 Ų075 Ų750%041%0.405CS..EExtended strand (participates in β ladder)trans-117.9133170.3-63.60000109.5C312 V321 S346 F347C312-C328 WeakPolarHBondContact CA-SG 3.42Å; C312-C328 HydrophobicContact CB-CB 3.77Å; C312-C328 WeakPolarHBondContact CB-SG 3.3Å; C312-C328 WeakPolarHBondContact SG-CB 3.5Å; C312-C328 CovalentContact SG-SG 2.04Å; C312-C328 PolarHBondContact SG-SG 3.4Å; V321-C328 CarbonylContact O-C 3.57Å; V321-C328 VanDerWaalsContact O-CA 3.28Å; V321-C328 WeakPolarHBondContact O-CA 3.23Å; C328-S346 CarbonylContact O-C 3.5Å; C328-S346 WeakPolarHBondContact O-CA 3.36Å; C328-S346 WeakPolarHBondContact O-CB 3.42Å; C328-F347 HydrophobicContact CB-CB 4.33Å; C328-F347 PolarHBondContact N-O 3.15Å; C328-F347 PolarHBondContact O-N 3.46Å
329E94.7Very high89.6Confident70 Ų7076.9 Ų76.933%0.32742%0.42SS..EExtended strand (participates in β ladder)trans-117.9143.3176.1-70.8174.5-147.600110.1Y320 V321 T323 R327Y320-E329 CarbonylContact C-O 3.58Å; Y320-E329 VanDerWaalsContact CA-O 3.3Å; Y320-E329 WeakPolarHBondContact CA-O 3.33Å; V321-E329 PolarHBondContact N-O 3.43Å; V321-E329 PolarHBondContact O-N 2.66Å; T323-E329 HydrophobicContact CG2-CB 3.72Å; T323-E329 HydrophobicContact CG2-CG 3.86Å; T323-E329 PolarHBondContact OG1-OE1 3.03Å; R327-E329 HydrophobicContact CG-CG 4.48Å; R327-E329 IonicContact CZ-OE1 3.57Å; R327-E329 IonicContact NE-OE1 2.78Å; R327-E329 IonicContact NH1-OE1 3.02Å; R327-E329 PolarHBondContact NH1-OE1 3Å
330R93.6Very high89.4Confident49 Ų4972.6 Ų72.619%0.18540%0.395CS..EExtended strand (participates in β ladder)trans-74.2137.7178.1-164.3-175.861.8-136.47.2109.5A318 T319 Y320 C333 T343 P344 T345A318-R330 HydrophobicContact CB-CG 4.19Å; T319-R330 WeakPolarHBondContact O-CA 3.38Å; Y320-R330 HydrophobicContact CD1-CB 3.87Å; Y320-R330 HydrophobicContact CD1-CG 4.38Å; Y320-R330 HydrophobicContact CE1-CB 3.49Å; Y320-R330 VanDerWaalsContact CE1-CB 3.49Å; Y320-R330 HydrophobicContact CE1-CG 3.92Å; Y320-R330 HydrophobicContact CE2-CG 4.35Å; R330-C333 PolarHBondContact NE-SG 3.29Å; R330-T343 WeakPolarHBondContact CD-OG1 3.37Å; R330-T343 PolarHBondContact NH1-O 3.41Å; R330-T343 PolarHBondContact NH1-OG1 3.44Å; R330-P344 VanDerWaalsContact NH1-C 3.26Å; R330-P344 PolarHBondContact NH1-O 2.97Å; R330-T345 WeakPolarHBondContact CB-O 3.45Å; R330-T345 PolarHBondContact N-O 2.8Å
331N89.2Confident88.9Confident64 Ų6474.6 Ų74.634%0.34241%0.412SS..PPolyproline II helixtrans-63153.8168.3-71.9-28.1000111.1T319 C333T319-N331 PolarHBondContact O-N 2.95Å; T319-N331 PolarHBondContact OG1-ND2 3.4Å; N331-C333 PolarHBondContact O-N 3.45Å
332P90.1Very high88.6Confident124 Ų12477.7 Ų77.781%0.80542%0.422SS*.PPolyproline II helixtrans-52.2132.6173.8-26.735.1000111.6
333C85.5Confident88.5Confident35 Ų3574 Ų7424%0.23641%0.407CS..PPolyproline II helixtrans-77.6137.9178.5-65.10000110.4R330 N331 C340 S341R330-C333 PolarHBondContact NE-SG 3.29Å; N331-C333 PolarHBondContact O-N 3.45Å; C333-C340 WeakPolarHBondContact CA-SG 3.21Å; C333-C340 HydrophobicContact CB-CB 3.64Å; C333-C340 WeakPolarHBondContact CB-SG 3.13Å; C333-C340 WeakPolarHBondContact SG-CB 3.24Å; C333-C340 PolarHBondContact SG-O 2.04Å; C333-C340 VanDerWaalsContact SG-O 3.4Å; C333-C340 CovalentContact SG-SG 2.04Å; C333-C340 PolarHBondContact SG-SG 3.25Å; C333-S341 PolarHBondContact SG-N 3.34Å
334P85.4Confident88.6Confident89 Ų8971.1 Ų71.158%0.57839%0.39SS*.PPolyproline II helixtrans-55.9145.8167-22.533.1000110.9D336 N337P334-D336 PolarHBondContact O-N 3.28Å; P334-D336 VanDerWaalsContact O-N 3.07Å; P334-N337 HydrophobicContact CB-CB 4.36Å; P334-N337 PolarHBondContact O-N 3.44Å
335L76.8Confident88.6Confident178 Ų17870.3 Ų70.393%0.93238%0.383SS*.THydrogen-bonded Turntrans-53.2-34.5-170.2-70.6167.2000114
336D78.9Confident88.7Confident156 Ų15666.7 Ų66.783%0.83436%0.36SS*.THydrogen-bonded Turntrans-96-4.2-175.8-59-46.1000114.5P334 K338P334-D336 PolarHBondContact O-N 3.28Å; P334-D336 VanDerWaalsContact O-N 3.07Å; D336-K338 PolarHBondContact O-N 3.22Å; D336-K338 VanDerWaalsContact O-N 3.09Å
337N82.4Confident88.8Confident43 Ų4365 Ų6523%0.2335%0.351CS..  trans-89.779.1-174.9-167.9-14.5000111.5P334 A339 C340 S341P334-N337 HydrophobicContact CB-CB 4.36Å; P334-N337 PolarHBondContact O-N 3.44Å; N337-A339 PolarHBondContact O-N 2.85Å; N337-A339 WeakPolarHBondContact OD1-CB 3.38Å; N337-A339 PolarHBondContact OD1-N 3.48Å; N337-C340 HydrophobicContact CB-CB 4.03Å; N337-C340 WeakPolarHBondContact O-CB 2.99Å; N337-C340 PolarHBondContact O-N 3.34Å; N337-C340 VanDerWaalsContact O-N 3.11Å; N337-C340 PolarHBondContact OD1-N 2.79Å; N337-S341 PolarHBondContact O-N 3.5Å
338K83.7Confident88.8Confident162 Ų16262.4 Ų62.470%0.70434%0.344SS*.Hα-helixtrans-59.1-29.5175.4-70.4-175.4-178.5176.70113.2D336 S341 Q342D336-K338 PolarHBondContact O-N 3.22Å; D336-K338 VanDerWaalsContact O-N 3.09Å; K338-S341 PolarHBondContact O-N 3.14Å; K338-S341 PolarHBondContact O-OG 3.13Å; K338-S341 VanDerWaalsContact O-OG 3.06Å; K338-Q342 WeakPolarHBondContact O-CG 3.34Å; K338-Q342 PolarHBondContact O-N 3.26Å
339A87.9Confident88.7Confident46 Ų4663.5 Ų63.538%0.3835%0.349SS..Hα-helixtrans-64.9-42.3176.100000110.8H317 N337 Q342 T343H317-A339 HydrophobicContact CB-CB 4.25Å; N337-A339 PolarHBondContact O-N 2.85Å; N337-A339 WeakPolarHBondContact OD1-CB 3.38Å; N337-A339 PolarHBondContact OD1-N 3.48Å; A339-Q342 PolarHBondContact O-N 2.76Å; A339-T343 WeakPolarHBondContact O-CG2 3.35Å; A339-T343 PolarHBondContact O-N 2.95Å
340C88.1Confident88.7Confident4 Ų463.9 Ų63.93%0.02735%0.35CS..Hα-helixtrans-61.9-46.3175.4-178.50000112.3H317 C333 N337 Q342 T343H317-C340 VanDerWaalsContact O-CB 3.23Å; H317-C340 WeakPolarHBondContact O-CB 3.35Å; C333-C340 WeakPolarHBondContact CA-SG 3.21Å; C333-C340 HydrophobicContact CB-CB 3.64Å; C333-C340 WeakPolarHBondContact CB-SG 3.13Å; C333-C340 WeakPolarHBondContact SG-CB 3.24Å; C333-C340 PolarHBondContact SG-O 2.04Å; C333-C340 VanDerWaalsContact SG-O 3.4Å; C333-C340 CovalentContact SG-SG 2.04Å; C333-C340 PolarHBondContact SG-SG 3.25Å; N337-C340 HydrophobicContact CB-CB 4.03Å; N337-C340 WeakPolarHBondContact O-CB 2.99Å; N337-C340 PolarHBondContact O-N 3.34Å; N337-C340 VanDerWaalsContact O-N 3.11Å; N337-C340 PolarHBondContact OD1-N 2.79Å; C340-Q342 PolarHBondContact O-N 2.74Å; C340-T343 WeakPolarHBondContact O-CB 3.39Å; C340-T343 PolarHBondContact O-N 3.43Å; C340-T343 VanDerWaalsContact O-N 3.08Å; C340-T343 PolarHBondContact O-OG1 3.18Å
341S84.9Confident88.7Confident68 Ų6863.5 Ų63.548%0.47635%0.349SS..Hα-helixtrans-65.9-25.1-175.962.70000113.4C333 N337 K338C333-S341 PolarHBondContact SG-N 3.34Å; N337-S341 PolarHBondContact O-N 3.5Å; K338-S341 PolarHBondContact O-N 3.14Å; K338-S341 PolarHBondContact O-OG 3.13Å; K338-S341 VanDerWaalsContact O-OG 3.06Å
342Q87.9Confident88.8Confident135 Ų13563 Ų6363%0.63135%0.346SS*.Hα-helixtrans-80-17.3175.2-69.4177.28.300114.3K338 A339 C340K338-Q342 WeakPolarHBondContact O-CG 3.34Å; K338-Q342 PolarHBondContact O-N 3.26Å; A339-Q342 PolarHBondContact O-N 2.76Å; C340-Q342 PolarHBondContact O-N 2.74Å
343T91.8Very high88.9Confident16 Ų1658.6 Ų58.610%0.09832%0.32CS..SBendtrans-67.7163.717566.50000111.1I315 A318 Y320 R330 A339 C340I315-T343 HydrophobicContact CG2-CG2 3.97Å; A318-T343 HydrophobicContact CB-CG2 3.8Å; A318-T343 WeakPolarHBondContact CB-OG1 3.39Å; Y320-T343 WeakPolarHBondContact OH-CB 3.02Å; Y320-T343 PolarHBondContact OH-OG1 2.82Å; R330-T343 WeakPolarHBondContact CD-OG1 3.37Å; R330-T343 PolarHBondContact NH1-O 3.41Å; R330-T343 PolarHBondContact NH1-OG1 3.44Å; A339-T343 WeakPolarHBondContact O-CG2 3.35Å; A339-T343 PolarHBondContact O-N 2.95Å; C340-T343 WeakPolarHBondContact O-CB 3.39Å; C340-T343 PolarHBondContact O-N 3.43Å; C340-T343 VanDerWaalsContact O-N 3.08Å; C340-T343 PolarHBondContact O-OG1 3.18Å
344P93.7Very high89.2Confident7 Ų757.7 Ų57.75%0.04531%0.313CS..  trans-60.8141.7174.6-25.136.5000112.5Y320 R330 F347 R432 I434Y320-P344 VanDerWaalsContact CE1-O 3.29Å; Y320-P344 WeakPolarHBondContact CE1-O 3.49Å; Y320-P344 PolarHBondContact OH-O 3.34Å; R330-P344 VanDerWaalsContact NH1-C 3.26Å; R330-P344 PolarHBondContact NH1-O 2.97Å; P344-F347 HydrophobicContact CB-CD2 4.46Å; P344-F347 HydrophobicContact CB-CE2 3.73Å; P344-F347 HydrophobicContact CB-CZ 3.85Å; P344-F347 HydrophobicContact CG-CE2 4.03Å; P344-F347 HydrophobicContact CG-CZ 3.69Å; P344-R432 CarbonylContact C-O 3.59Å; P344-R432 WeakPolarHBondContact CA-O 3.35Å; P344-R432 WeakPolarHBondContact CB-O 3.45Å; P344-I434 HydrophobicContact CB-CD1 4.04Å; P344-I434 HydrophobicContact CB-CG1 4.07Å; P344-I434 HydrophobicContact CG-CD1 3.43Å; P344-I434 VanDerWaalsContact CG-CD1 3.43Å; P344-I434 HydrophobicContact CG-CG1 3.99Å
345T92.3Very high89.5Confident31 Ų3154.7 Ų54.719%0.1929%0.294CS..SBendtrans-75.8-35.3177.3480000111.9R330 R432 Y433R330-T345 WeakPolarHBondContact CB-O 3.45Å; R330-T345 PolarHBondContact N-O 2.8Å; T345-R432 PolarHBondContact N-O 2.95Å; T345-R432 PolarHBondContact OG1-O 3.38Å; T345-Y433 WeakPolarHBondContact OG1-CD1 3.46Å; T345-Y433 WeakPolarHBondContact OG1-CE1 3.33Å
346S93.4Very high90.1Very high4 Ų446.7 Ų46.73%0.02825%0.253CS..EExtended strand (participates in β ladder)trans-149.2155.8174.676.80000112.8R327 C328 Y433 I434R327-S346 PolarHBondContact NH2-OG 3.05Å; R327-S346 VanDerWaalsContact NH2-OG 3.14Å; C328-S346 CarbonylContact O-C 3.5Å; C328-S346 WeakPolarHBondContact O-CA 3.36Å; C328-S346 WeakPolarHBondContact O-CB 3.42Å; S346-Y433 WeakPolarHBondContact OG-CD1 3.31Å; S346-I434 PolarHBondContact O-N 3.18Å
347F94.8Very high90.6Very high10 Ų1042.9 Ų42.94%0.04423%0.232CC..EExtended strand (participates in β ladder)trans-116.6129.3166.6-68.2-98.9000109.3P313 I315 Y320 R327 C328 P344 Y349 I434P313-F347 HydrophobicContact CB-CE2 4.48Å; P313-F347 HydrophobicContact CB-CZ 4.45Å; P313-F347 HydrophobicContact CG-CD1 4.18Å; P313-F347 HydrophobicContact CG-CD2 3.44Å; P313-F347 VanDerWaalsContact CG-CD2 3.44Å; P313-F347 HydrophobicContact CG-CE1 4.13Å; P313-F347 HydrophobicContact CG-CE2 3.4Å; P313-F347 VanDerWaalsContact CG-CE2 3.4Å; P313-F347 HydrophobicContact CG-CG 3.85Å; P313-F347 HydrophobicContact CG-CZ 3.76Å; I315-F347 HydrophobicContact CD1-CE2 4Å; I315-F347 HydrophobicContact CD1-CZ 3.77Å; Y320-F347 AromaticContact CD1-CD2 3.98Å; Y320-F347 HydrophobicContact CD1-CD2 3.98Å; Y320-F347 HydrophobicContact CD1-CE2 4.21Å; Y320-F347 AromaticContact CE1-CD2 3.67Å; Y320-F347 HydrophobicContact CE1-CD2 3.67Å; Y320-F347 AromaticContact CE1-CE2 3.54Å; Y320-F347 HydrophobicContact CE1-CE2 3.54Å; Y320-F347 HydrophobicContact CE2-CE2 4.3Å; Y320-F347 AromaticContact CZ-CE2 3.61Å; R327-F347 WeakPolarHBondContact CA-O 3.41Å; C328-F347 HydrophobicContact CB-CB 4.33Å; C328-F347 PolarHBondContact N-O 3.15Å; C328-F347 PolarHBondContact O-N 3.46Å; P344-F347 HydrophobicContact CB-CD2 4.46Å; P344-F347 HydrophobicContact CB-CE2 3.73Å; P344-F347 HydrophobicContact CB-CZ 3.85Å; P344-F347 HydrophobicContact CG-CE2 4.03Å; P344-F347 HydrophobicContact CG-CZ 3.69Å; F347-Y349 HydrophobicContact CB-CE2 3.9Å; F347-I434 CarbonylContact C-O 3.6Å; F347-I434 VanDerWaalsContact CA-O 3.25Å; F347-I434 WeakPolarHBondContact CA-O 3.5Å; F347-I434 HydrophobicContact CD1-CB 3.69Å; F347-I434 HydrophobicContact CD1-CD1 4.42Å; F347-I434 HydrophobicContact CD1-CG2 3.78Å; F347-I434 HydrophobicContact CE1-CB 3.78Å; F347-I434 HydrophobicContact CE1-CD1 3.61Å; F347-I434 HydrophobicContact CE1-CG1 4.17Å; F347-I434 HydrophobicContact CE1-CG2 3.89Å; F347-I434 HydrophobicContact CG-CB 4.44Å; F347-I434 HydrophobicContact CZ-CD1 3.94Å
348S93.8Very high90.7Very high19 Ų1941.8 Ų41.813%0.13323%0.226CC..EExtended strand (participates in β ladder)trans-116145.9169.257.40000110.8M326 H350 I434 T435 K436M326-S348 CarbonylContact O-C 3.58Å; M326-S348 WeakPolarHBondContact O-CA 3.23Å; S348-H350 PolarHBondContact OG-NE2 3.2Å; S348-I434 PolarHBondContact N-O 3.47Å; S348-T435 CarbonylContact O-C 3.59Å; S348-T435 WeakPolarHBondContact O-CA 3.23Å; S348-T435 PolarHBondContact OG-OG1 3.49Å; S348-K436 PolarHBondContact O-N 2.92Å
349Y94.7Very high90.7Very high24 Ų2438 Ų389%0.09422%0.22CC..EExtended strand (participates in β ladder)trans-120.9126.8-175.9-61.4-105.5000108.7V310 D311 M326 F347 K436V310-Y349 HydrophobicContact CG1-CD1 4.14Å; V310-Y349 HydrophobicContact CG1-CD2 3.36Å; V310-Y349 HydrophobicContact CG1-CE1 4.2Å; V310-Y349 HydrophobicContact CG1-CE2 3.48Å; V310-Y349 VanDerWaalsContact CG1-CE2 3.48Å; V310-Y349 HydrophobicContact CG1-CG 3.73Å; V310-Y349 HydrophobicContact CG2-CD1 4.32Å; V310-Y349 HydrophobicContact CG2-CD2 4.41Å; V310-Y349 HydrophobicContact CG2-CG 3.99Å; D311-Y349 PolarHBondContact O-OH 3.43Å; D311-Y349 VanDerWaalsContact O-OH 3.06Å; M326-Y349 WeakPolarHBondContact CB-O 3.03Å; M326-Y349 PolarHBondContact O-N 3.45Å; F347-Y349 HydrophobicContact CB-CE2 3.9Å; Y349-K436 CarbonylContact C-O 3.57Å; Y349-K436 WeakPolarHBondContact CA-O 3.44Å; Y349-K436 HydrophobicContact CD1-CB 4.15Å; Y349-K436 HydrophobicContact CD1-CD 4.23Å; Y349-K436 HydrophobicContact CE1-CD 3.82Å; Y349-K436 HydrophobicContact CE1-CG 4.43Å
350H93.1Very high90.6Very high77 Ų7737.5 Ų37.536%0.35622%0.216SC..EExtended strand (participates in β ladder)trans-131.3135-177.3-63.5-95.3000109.3S348 F365 T435 K436 I437 T438S348-H350 PolarHBondContact OG-NE2 3.2Å; H350-F365 HydrophobicContact CB-CE1 4Å; H350-F365 HydrophobicContact CB-CZ 4.12Å; H350-T435 VanDerWaalsContact CD2-CG2 3.43Å; H350-T435 WeakPolarHBondContact CD2-CG2 3.5Å; H350-K436 PolarHBondContact N-O 3.36Å; H350-I437 HydrophobicContact CB-CG1 4.22Å; H350-I437 CarbonylContact O-C 3.53Å; H350-I437 WeakPolarHBondContact O-CA 3.43Å; H350-T438 PolarHBondContact O-N 2.88Å
351Y93.6Very high90.7Very high42 Ų4242.6 Ų42.617%0.16525%0.249CC..EExtended strand (participates in β ladder)trans-120.8137.2179.9-54.4-92.3000109V299 V308 V310 M326 T438 F440V299-Y351 HydrophobicContact CG2-CD2 4.15Å; V299-Y351 HydrophobicContact CG2-CG 3.99Å; V308-Y351 HydrophobicContact CB-CD1 4.45Å; V308-Y351 HydrophobicContact CB-CE1 3.85Å; V308-Y351 HydrophobicContact CB-CE2 4.29Å; V308-Y351 HydrophobicContact CG1-CD1 3.9Å; V308-Y351 HydrophobicContact CG1-CE1 3.65Å; V308-Y351 HydrophobicContact CG2-CD1 4.43Å; V308-Y351 HydrophobicContact CG2-CD2 4.07Å; V308-Y351 HydrophobicContact CG2-CE1 4.07Å; V308-Y351 HydrophobicContact CG2-CE2 3.66Å; V308-Y351 HydrophobicContact CG2-CG 4.44Å; V310-Y351 HydrophobicContact CG2-CE2 4.28Å; V310-Y351 WeakPolarHBondContact CG2-OH 3.46Å; M326-Y351 HydrophobicContact CE-CD2 3.32Å; M326-Y351 HydrophobicContact CE-CE2 3.5Å; M326-Y351 VanDerWaalsContact CE-CE2 3.5Å; M326-Y351 HydrophobicContact SD-CD2 4.17Å; M326-Y351 HydrophobicContact SD-CE2 3.71Å; Y351-T438 CarbonylContact C-O 3.52Å; Y351-T438 VanDerWaalsContact CA-O 3.27Å; Y351-T438 WeakPolarHBondContact CA-O 3.49Å; Y351-T438 HydrophobicContact CD1-CG2 4.18Å; Y351-F440 AromaticContact CD1-CE2 3.93Å; Y351-F440 HydrophobicContact CD1-CE2 3.93Å; Y351-F440 AromaticContact CD1-CZ 4Å; Y351-F440 HydrophobicContact CD1-CZ 4Å; Y351-F440 HydrophobicContact CG-CE2 4.42Å
352L91.2Very high90.9Very high52 Ų5245.4 Ų45.427%0.27225%0.249SC..EExtended strand (participates in β ladder)trans-130.8145.9176.6-63.4178.1000110.2F365 T438 M439 F440L352-F365 HydrophobicContact CD1-CD2 4.13Å; L352-F365 HydrophobicContact CD1-CE1 4.39Å; L352-F365 HydrophobicContact CD1-CE2 3.1Å; L352-F365 HydrophobicContact CD1-CZ 3.28Å; L352-F365 HydrophobicContact CD2-CE1 4.45Å; L352-F365 HydrophobicContact CD2-CZ 3.87Å; L352-F365 HydrophobicContact CG-CE2 3.87Å; L352-F365 HydrophobicContact CG-CZ 3.5Å; L352-F365 VanDerWaalsContact CG-CZ 3.5Å; L352-T438 PolarHBondContact N-O 3.1Å; L352-M439 HydrophobicContact CB-CG 4.44Å; L352-M439 CarbonylContact O-C 3.54Å; L352-M439 WeakPolarHBondContact O-CA 3.05Å; L352-F440 WeakPolarHBondContact O-CD2 3Å; L352-F440 PolarHBondContact O-N 3.38Å
353A92.5Very high90.9Very high32 Ų3241.6 Ų41.626%0.26424%0.235SC..EExtended strand (participates in β ladder)trans-107.2133.3164.300000109.3N300 T301 Y302 F440N300-A353 WeakPolarHBondContact O-CB 3.04Å; T301-A353 HydrophobicContact CG2-CB 4.35Å; Y302-A353 HydrophobicContact CD2-CB 3.9Å; Y302-A353 HydrophobicContact CE2-CB 4.15Å; A353-F440 WeakPolarHBondContact CA-O 3.09Å
354V91.8Very high90.7Very high16 Ų1642.4 Ų42.410%0.09724%0.238CC..EExtended strand (participates in β ladder)trans-136.7153.3177.4-59.40000110.4L358 M364 M439 F440 V441 S442V354-L358 HydrophobicContact CB-CD1 4.41Å; V354-L358 HydrophobicContact CB-CD2 4.46Å; V354-L358 HydrophobicContact CG1-CD2 4.44Å; V354-M364 HydrophobicContact CG1-CE 4.08Å; V354-M439 HydrophobicContact CG1-CG 4.12Å; V354-M439 HydrophobicContact CG1-SD 4Å; V354-M439 HydrophobicContact CG2-CE 4.24Å; V354-M439 HydrophobicContact CG2-CG 3.62Å; V354-M439 HydrophobicContact CG2-SD 3.68Å; V354-F440 PolarHBondContact N-O 3.29Å; V354-V441 HydrophobicContact CG2-CB 4.21Å; V354-V441 HydrophobicContact CG2-CG1 4.24Å; V354-V441 HydrophobicContact CG2-CG2 3.78Å; V354-V441 WeakPolarHBondContact O-CA 3.02Å; V354-S442 PolarHBondContact O-N 3.36Å
355V91.5Very high90.2Very high27 Ų2743.8 Ų43.816%0.16424%0.244CC..  trans-72.3159172.2-62.40000111.2Y302 L358Y302-V355 HydrophobicContact CD1-CG1 4.35Å; Y302-V355 HydrophobicContact CD2-CG1 4.29Å; Y302-V355 HydrophobicContact CE1-CG1 4.24Å; Y302-V355 HydrophobicContact CE2-CG1 4.2Å; Y302-V355 HydrophobicContact CG-CG1 4.38Å; V355-L358 HydrophobicContact CG2-CD1 3.76Å
356S90.9Very high89.8Confident10 Ų1051.3 Ų51.37%0.0727%0.268CS..THydrogen-bonded Turntrans-63157172.1-162.20000111.3L358 G411 S442 Y444S356-L358 PolarHBondContact O-N 3.43Å; S356-G411 PolarHBondContact OG-N 3.24Å; S356-S442 VanDerWaalsContact CB-O 3.31Å; S356-S442 WeakPolarHBondContact CB-O 3.12Å; S356-Y444 WeakPolarHBondContact CB-O 3.48Å; S356-Y444 PolarHBondContact N-O 2.93Å
357N88.2Confident89Confident75 Ų7552.1 Ų52.140%0.40127%0.273SS..THydrogen-bonded Turntrans57.236.5175-161.218.3000113.7S359 V409 E445N357-S359 PolarHBondContact O-N 2.88Å; N357-V409 WeakPolarHBondContact CA-O 3.45Å; N357-V409 PolarHBondContact N-O 3.44Å; N357-E445 HydrophobicContact CB-CG 3.94Å; N357-E445 WeakPolarHBondContact CB-OE1 3.45Å; N357-E445 PolarHBondContact ND2-OE1 3.06Å
358L85.4Confident87.9Confident20 Ų2055.3 Ų55.311%0.10530%0.297CS..  trans-58.8127.2177.7-149.979.7000110.1V354 V355 S356 M364 L405V354-L358 HydrophobicContact CB-CD1 4.41Å; V354-L358 HydrophobicContact CB-CD2 4.46Å; V354-L358 HydrophobicContact CG1-CD2 4.44Å; V355-L358 HydrophobicContact CG2-CD1 3.76Å; S356-L358 PolarHBondContact O-N 3.43Å; L358-M364 HydrophobicContact CD2-CE 3.68Å; L358-M364 HydrophobicContact CD2-SD 3.87Å; L358-L405 HydrophobicContact CB-CD2 4.16Å; L358-L405 HydrophobicContact CD2-CD2 4.08Å
359S84Confident86.6Confident82 Ų8255.6 Ų55.657%0.57330%0.301SS*.  trans-61.4138.2-179.654.80000111.7N357 R362N357-S359 PolarHBondContact O-N 2.88Å; S359-R362 WeakPolarHBondContact O-CB 3.32Å
360A85.8Confident85Confident37 Ų3762.3 Ų62.331%0.30634%0.337SS..SBendtrans-125.6145.9175.200000109.8L405A360-L405 HydrophobicContact CB-CD2 4.37Å; A360-L405 HydrophobicContact CB-CG 4.35Å
361P89.3Confident83.5Confident111 Ų11167.4 Ų67.472%0.72135%0.353SS*.SBendcis-80139.15.631.2-34000113.6L405P361-L405 VanDerWaalsContact CA-O 3.24Å; P361-L405 WeakPolarHBondContact CA-O 3.38Å
362R88.9Confident81.6Confident126 Ų12673.8 Ų73.848%0.47538%0.384SS..EExtended strand (participates in β ladder)trans-141.9136.9179.7-175.5171.7-175.6157.60.4111.8S359 M364 M404 L405S359-R362 WeakPolarHBondContact O-CB 3.32Å; R362-M364 HydrophobicContact CB-SD 4.5Å; R362-M364 HydrophobicContact CG-SD 4.25Å; R362-M364 PolarHBondContact O-N 3.42Å; R362-M404 CarbonylContact O-C 3.58Å; R362-M404 VanDerWaalsContact O-CA 3.29Å; R362-M404 WeakPolarHBondContact O-CA 3.06Å; R362-L405 PolarHBondContact N-O 2.99Å; R362-L405 PolarHBondContact O-N 3.47Å
363V89.1Confident79.7Confident56 Ų5675.3 Ų75.334%0.33939%0.392SS..EExtended strand (participates in β ladder)trans-74.7119.4173.2-178.90000108.9R366 Q402 M404V363-R366 HydrophobicContact CG1-CG 4.26Å; V363-Q402 HydrophobicContact CG1-CB 4.1Å; V363-Q402 HydrophobicContact CG1-CG 3.78Å; V363-Q402 VanDerWaalsContact CG2-OE1 3.27Å; V363-M404 HydrophobicContact CG2-CG 4.21Å; V363-M404 HydrophobicContact CG2-SD 4.17Å
364M86.1Confident77.9Confident33 Ų3374.9 Ų74.916%0.16339%0.392CS..EExtended strand (participates in β ladder)trans-97-42.1-178.7-58.8-57.8-77.300111.7V354 L358 R362 L403 L405 M439V354-M364 HydrophobicContact CG1-CE 4.08Å; L358-M364 HydrophobicContact CD2-CE 3.68Å; L358-M364 HydrophobicContact CD2-SD 3.87Å; R362-M364 HydrophobicContact CB-SD 4.5Å; R362-M364 HydrophobicContact CG-SD 4.25Å; R362-M364 PolarHBondContact O-N 3.42Å; M364-L403 PolarHBondContact N-O 3.22Å; M364-L405 HydrophobicContact CG-CB 3.72Å; M364-L405 HydrophobicContact SD-CB 3.99Å; M364-M439 HydrophobicContact CE-SD 3.49Å; M364-M439 WeakPolarHBondContact CE-SD 3.04Å
365F84.3Confident76.3Confident35 Ų3579.1 Ų79.115%0.15441%0.413CS..EExtended strand (participates in β ladder)trans-135.7144.8177.1-74.1-98.2000111.3H350 L352 Q402 L403 I437H350-F365 HydrophobicContact CB-CE1 4Å; H350-F365 HydrophobicContact CB-CZ 4.12Å; L352-F365 HydrophobicContact CD1-CD2 4.13Å; L352-F365 HydrophobicContact CD1-CE1 4.39Å; L352-F365 HydrophobicContact CD1-CE2 3.1Å; L352-F365 HydrophobicContact CD1-CZ 3.28Å; L352-F365 HydrophobicContact CD2-CE1 4.45Å; L352-F365 HydrophobicContact CD2-CZ 3.87Å; L352-F365 HydrophobicContact CG-CE2 3.87Å; L352-F365 HydrophobicContact CG-CZ 3.5Å; L352-F365 VanDerWaalsContact CG-CZ 3.5Å; F365-Q402 CarbonylContact O-C 3.48Å; F365-Q402 VanDerWaalsContact O-CA 3.23Å; F365-Q402 WeakPolarHBondContact O-CA 3.36Å; F365-L403 HydrophobicContact CB-CB 4.05Å; F365-L403 HydrophobicContact CD2-CD2 4.02Å; F365-L403 PolarHBondContact N-O 3.13Å; F365-L403 PolarHBondContact O-N 3.02Å; F365-I437 HydrophobicContact CB-CD1 4.5Å; F365-I437 HydrophobicContact CD1-CD1 4.29Å; F365-I437 HydrophobicContact CD2-CD1 3.7Å; F365-I437 HydrophobicContact CD2-CG1 4.33Å; F365-I437 HydrophobicContact CD2-CG2 4.12Å; F365-I437 HydrophobicContact CE1-CD1 4.41Å; F365-I437 HydrophobicContact CE1-CG1 4.32Å; F365-I437 HydrophobicContact CE2-CB 4.2Å; F365-I437 HydrophobicContact CE2-CD1 3.81Å; F365-I437 HydrophobicContact CE2-CG1 3.92Å; F365-I437 HydrophobicContact CE2-CG2 3.23Å; F365-I437 HydrophobicContact CG-CD1 3.92Å; F365-I437 HydrophobicContact CZ-CB 4.39Å; F365-I437 HydrophobicContact CZ-CD1 4.16Å; F365-I437 HydrophobicContact CZ-CG1 3.91Å; F365-I437 HydrophobicContact CZ-CG2 3.62Å
366R84.5Confident75.2Confident189 Ų18980.6 Ų80.671%0.71342%0.423SS*.EExtended strand (participates in β ladder)trans-107.7126.8160.7-74.4176.6179.5162.93.6107.9V363 G401 Q402V363-R366 HydrophobicContact CG1-CG 4.26Å; R366-G401 CarbonylContact C-O 3.59Å; R366-G401 WeakPolarHBondContact CA-O 3.37Å; R366-Q402 HydrophobicContact CG-CG 3.71Å
367V74.9Confident74.5Confident22 Ų2280.6 Ų80.613%0.13342%0.422CS..EExtended strand (participates in β ladder)trans-109.5129.9175.6-172.20000107F379 T400 G401 M421V367-F379 HydrophobicContact CB-CE1 3.91Å; V367-F379 HydrophobicContact CG1-CE1 3.96Å; V367-T400 CarbonylContact O-C 3.56Å; V367-T400 VanDerWaalsContact O-CA 3.25Å; V367-T400 WeakPolarHBondContact O-CA 3.43Å; V367-G401 PolarHBondContact N-O 3.31Å; V367-G401 PolarHBondContact O-N 3.1Å; V367-M421 HydrophobicContact CG1-SD 3.97Å
368S72.6Confident74.3Confident77 Ų7785 Ų8554%0.53843%0.433SS..EExtended strand (participates in β ladder)trans-130.8150.8178.658.60000111.3Q399S368-Q399 WeakPolarHBondContact CA-O 3.43Å
369A67.2Low74.3Confident25 Ų2585.3 Ų85.321%0.20743%0.433CS..  trans-74.7139168.800000111.1R371 L377 Q399A369-R371 VanDerWaalsContact C-N 3.26Å; A369-R371 PolarHBondContact O-N 3Å; A369-L377 HydrophobicContact CB-CD1 3.74Å; A369-L377 HydrophobicContact CB-CD2 4.24Å; A369-L377 HydrophobicContact CB-CG 4.42Å; A369-Q399 PolarHBondContact N-O 3.49Å
370L59.3Low74.5Confident165 Ų16583.3 Ų83.386%0.86442%0.418SS*.SBendtrans-75.7-10.3178-77.4161000113.7
371R62.3Low74.7Confident184 Ų18482.4 Ų82.469%0.69441%0.408SS*.SBendtrans-132.5145.5-174.8-87.5174.4165.7-158.81110.8A369 L373A369-R371 VanDerWaalsContact C-N 3.26Å; A369-R371 PolarHBondContact O-N 3Å; R371-L373 HydrophobicContact CB-CB 4.3Å; R371-L373 HydrophobicContact CB-CD1 3.89Å; R371-L373 HydrophobicContact CB-CG 4.49Å; R371-L373 HydrophobicContact CG-CD1 4.11Å; R371-L373 PolarHBondContact O-N 2.91Å
372Q54Low74.4Confident175 Ų17579 Ų7982%0.81838%0.383SS*.SBendtrans-79.167.8167.2-65.2-152.2-5.400110.1
373L51.4Low73.6Confident84 Ų8475 Ų7544%0.4438%0.381SS..  trans-136.6132.4-178.1-84.2150.9000109R371R371-L373 HydrophobicContact CB-CB 4.3Å; R371-L373 HydrophobicContact CB-CD1 3.89Å; R371-L373 HydrophobicContact CB-CG 4.49Å; R371-L373 HydrophobicContact CG-CD1 4.11Å; R371-L373 PolarHBondContact O-N 2.91Å
374G54.1Low72.9Confident24 Ų2474.8 Ų74.825%0.24739%0.391CS..SBendtrans84.1126.7174.900000115.6T376 L424G374-T376 PolarHBondContact O-N 2.89Å; G374-L424 CarbonylContact C-O 3.36Å; G374-L424 WeakPolarHBondContact CA-O 3.38Å
375D58.2Low72.5Confident104 Ų10484.7 Ų84.756%0.55643%0.426SS*.SBendtrans-59.9-14.1-171.3-75.9-47.7000116.1L424D375-L424 PolarHBondContact N-O 2.03Å
376T69.6Low72.3Confident58 Ų5889 Ų8936%0.35645%0.447SS..EExtended strand (participates in β ladder)trans-163.2130.8-17918.30000114.6G374 L424G374-T376 PolarHBondContact O-N 2.89Å; T376-L424 PolarHBondContact O-N 3.31Å
377L75.7Confident72.1Confident10 Ų1080.5 Ų80.55%0.05242%0.417CS..EExtended strand (participates in β ladder)trans-86.1138.9161.1-62.6177.3000111.3A369 F379 R398 Q399 M421 E423A369-L377 HydrophobicContact CB-CD1 3.74Å; A369-L377 HydrophobicContact CB-CD2 4.24Å; A369-L377 HydrophobicContact CB-CG 4.42Å; L377-F379 HydrophobicContact CB-CE2 3.71Å; L377-F379 HydrophobicContact CB-CZ 3.83Å; L377-F379 HydrophobicContact CD1-CE2 4.3Å; L377-F379 HydrophobicContact CD1-CZ 3.69Å; L377-F379 HydrophobicContact CG-CZ 4.44Å; L377-R398 PolarHBondContact N-O 2.9Å; L377-R398 VanDerWaalsContact N-O 3.16Å; L377-Q399 VanDerWaalsContact CD1-C 3.43Å; L377-Q399 WeakPolarHBondContact CD1-O 3.42Å; L377-M421 HydrophobicContact CD1-CG 4.42Å; L377-M421 HydrophobicContact CD1-SD 3.89Å; L377-M421 HydrophobicContact CD2-CG 4.09Å; L377-M421 HydrophobicContact CD2-SD 4.15Å; L377-E423 HydrophobicContact CD2-CB 4.23Å; L377-E423 HydrophobicContact CD2-CG 4.48Å
378R83.5Confident72.7Confident168 Ų16887.4 Ų87.463%0.63444%0.44SS*.EExtended strand (participates in β ladder)trans-111.6130.3168.8-172.6176.3-177.4168.30.7109.5M421 S422 L424R378-M421 WeakPolarHBondContact O-CA 3.34Å; R378-S422 PolarHBondContact N-O 2.73Å; R378-S422 PolarHBondContact O-N 2.92Å; R378-L424 HydrophobicContact CB-CD1 3.92Å
379F85.6Confident73.4Confident26 Ų2692.5 Ų92.511%0.11445%0.448CS..EExtended strand (participates in β ladder)trans-110.9138177.4-58.3-86.8000110.3V367 L377 V393 R395 G401 E420 M421V367-F379 HydrophobicContact CB-CE1 3.91Å; V367-F379 HydrophobicContact CG1-CE1 3.96Å; L377-F379 HydrophobicContact CB-CE2 3.71Å; L377-F379 HydrophobicContact CB-CZ 3.83Å; L377-F379 HydrophobicContact CD1-CE2 4.3Å; L377-F379 HydrophobicContact CD1-CZ 3.69Å; L377-F379 HydrophobicContact CG-CZ 4.44Å; F379-V393 HydrophobicContact CB-CG1 3.42Å; F379-V393 VanDerWaalsContact CB-CG1 3.42Å; F379-V393 HydrophobicContact CG-CG1 4.2Å; F379-R395 HydrophobicContact CD2-CG 4.36Å; F379-R395 HydrophobicContact CE2-CG 4.36Å; F379-G401 VanDerWaalsContact CE2-CA 3.43Å; F379-E420 CarbonylContact C-O 3.58Å; F379-E420 VanDerWaalsContact CA-O 3.31Å; F379-E420 WeakPolarHBondContact CA-O 3.42Å; F379-M421 HydrophobicContact CD1-CB 4.15Å; F379-M421 HydrophobicContact CD1-CG 4.15Å; F379-M421 HydrophobicContact CE1-CB 4.09Å; F379-M421 HydrophobicContact CE1-CG 3.69Å; F379-M421 HydrophobicContact CE1-SD 3.92Å; F379-M421 HydrophobicContact CZ-CG 4.31Å; F379-M421 HydrophobicContact CZ-SD 4.38Å
380T88.4Confident74.4Confident41 Ų4192.3 Ų92.325%0.25244%0.443SS..EExtended strand (participates in β ladder)trans-139.2139.7173.760.80000110.5L382 E420T380-L382 PolarHBondContact O-N 3.3Å; T380-E420 PolarHBondContact N-O 3.3Å; T380-E420 PolarHBondContact O-N 2.82Å; T380-E420 WeakPolarHBondContact OG1-CB 3.46Å
381L90Very high76Confident17 Ų1784.8 Ų84.89%0.08940%0.403CS..EExtended strand (participates in β ladder)trans-82.8109171.8-171.167.2000108.7R388 F391 V393 L403 A417 V419L381-R388 HydrophobicContact CD2-CG 4.07Å; L381-R388 PolarHBondContact O-NH2 2.74Å; L381-R388 VanDerWaalsContact O-NH2 3.08Å; L381-F391 HydrophobicContact CD1-CB 4.41Å; L381-F391 HydrophobicContact CD2-CB 3.95Å; L381-F391 WeakPolarHBondContact CD2-O 3.4Å; L381-V393 HydrophobicContact CB-CG2 3.9Å; L381-V393 HydrophobicContact CD1-CG2 4.07Å; L381-L403 HydrophobicContact CD1-CD1 3.92Å; L381-A417 HydrophobicContact CD1-CB 4.16Å; L381-V419 HydrophobicContact CD1-CG2 4.19Å
382L83.7Confident77.4Confident39 Ų3978.8 Ų78.820%0.20439%0.387CS..EExtended strand (participates in β ladder)trans-83.9133.5168.2-55.9-173.4000108.3T380 E418 E420 I434T380-L382 PolarHBondContact O-N 3.3Å; L382-E418 CarbonylContact C-O 3.31Å; L382-E418 WeakPolarHBondContact CA-O 3.33Å; L382-E418 HydrophobicContact CB-CB 3.75Å; L382-E418 WeakPolarHBondContact CB-O 3.36Å; L382-E418 PolarHBondContact N-O 3.19Å; L382-E418 WeakPolarHBondContact O-CB 3.25Å; L382-E418 PolarHBondContact O-N 3.19Å; L382-E420 HydrophobicContact CD1-CB 3.59Å; L382-E420 HydrophobicContact CD2-CB 4.15Å; L382-E420 HydrophobicContact CG-CB 3.68Å; L382-I434 HydrophobicContact CD1-CD1 3.93Å; L382-I434 HydrophobicContact CD1-CG1 4.26Å
383G71.9Confident79Confident43 Ų4371.8 Ų71.844%0.44336%0.356SS..SBendtrans143.9161.7-179.300000113.8
384G73.6Confident80.6Confident52 Ų5272.8 Ų72.854%0.53636%0.359SS..  trans-71.3-176.1-18000000113.8Q386 A387 R388G384-Q386 PolarHBondContact O-N 2.81Å; G384-Q386 VanDerWaalsContact O-N 3.09Å; G384-A387 PolarHBondContact O-N 3.04Å; G384-R388 PolarHBondContact O-N 3.03Å
385R78.3Confident81.9Confident240 Ų24077.5 Ų77.591%0.90637%0.369SS*.Hα-helixtrans-54.2-31.3-179.3-69.5-177.2178.7-179.6-0.3113.2R389R385-R389 PolarHBondContact O-N 3.09Å; R385-R389 VanDerWaalsContact O-N 3.12Å
386Q78.9Confident82.9Confident127 Ų12775.1 Ų75.159%0.59336%0.36SS*.Hα-helixtrans-68.5-45.2-179.1-168.8171.7-5.400112.9G384 R388 R389 H390G384-Q386 PolarHBondContact O-N 2.81Å; G384-Q386 VanDerWaalsContact O-N 3.09Å; Q386-R388 VanDerWaalsContact C-N 3.35Å; Q386-R388 PolarHBondContact O-N 2.86Å; Q386-R389 WeakPolarHBondContact O-CB 3.47Å; Q386-R389 PolarHBondContact O-N 2.91Å; Q386-H390 PolarHBondContact O-CD2 3.41Å
387A81.8Confident83.2Confident9 Ų976 Ų767%0.07436%0.363CS..Hα-helixtrans-63.3-42.3175.900000111.3G384 R389 H390 F391G384-A387 PolarHBondContact O-N 3.04Å; A387-R389 PolarHBondContact O-N 2.89Å; A387-H390 PolarHBondContact O-N 3.34Å; A387-F391 WeakPolarHBondContact O-CB 3.07Å; A387-F391 WeakPolarHBondContact O-CD2 3.38Å; A387-F391 PolarHBondContact O-N 2.97Å
388R85.9Confident83.1Confident167 Ų16783.2 Ų83.263%0.6339%0.389SS*.Hα-helixtrans-70-16.5179.3-66.8179.2178.1-121.6-8114.3L381 G384 Q386L381-R388 HydrophobicContact CD2-CG 4.07Å; L381-R388 PolarHBondContact O-NH2 2.74Å; L381-R388 VanDerWaalsContact O-NH2 3.08Å; G384-R388 PolarHBondContact O-N 3.03Å; Q386-R388 VanDerWaalsContact C-N 3.35Å; Q386-R388 PolarHBondContact O-N 2.86Å
389R87.6Confident82.6Confident184 Ų18478.8 Ų78.869%0.69438%0.376SS*.Hα-helixtrans-74.4-36.4174.2-176.3-178.7-179-174.8-0111.8R385 Q386 A387 S407R385-R389 PolarHBondContact O-N 3.09Å; R385-R389 VanDerWaalsContact O-N 3.12Å; Q386-R389 WeakPolarHBondContact O-CB 3.47Å; Q386-R389 PolarHBondContact O-N 2.91Å; A387-R389 PolarHBondContact O-N 2.89Å; R389-S407 PolarHBondContact O-OG 2.86Å
390H88.7Confident82.3Confident21 Ų2179.2 Ų79.210%0.09738%0.381CS..Hα-helixtrans-105-26.1-172.7-64.9-67000113.1Q386 A387 L405 V406 S407 V409 L415Q386-H390 PolarHBondContact O-CD2 3.41Å; A387-H390 PolarHBondContact O-N 3.34Å; H390-L405 HydrophobicContact CB-CD1 4.24Å; H390-L405 CarbonylContact O-C 3.59Å; H390-L405 WeakPolarHBondContact O-CA 3.34Å; H390-L405 WeakPolarHBondContact O-CD1 3.48Å; H390-V406 WeakPolarHBondContact O-CG2 3.47Å; H390-V406 PolarHBondContact O-N 3.3Å; H390-S407 WeakPolarHBondContact CA-OG 3.28Å; H390-S407 PolarHBondContact ND1-OG 3.11Å; H390-V409 HydrophobicContact CB-CG2 4.41Å; H390-L415 HydrophobicContact CB-CD1 4.15Å
391F92.2Very high82Confident8 Ų877.3 Ų77.34%0.03537%0.369CS..EExtended strand (participates in β ladder)trans-123.3145.1-174.5-53.9-74.8000112.9L381 A387 L403 M404 L405 L415 A417 M439L381-F391 HydrophobicContact CD1-CB 4.41Å; L381-F391 HydrophobicContact CD2-CB 3.95Å; L381-F391 WeakPolarHBondContact CD2-O 3.4Å; A387-F391 WeakPolarHBondContact O-CB 3.07Å; A387-F391 WeakPolarHBondContact O-CD2 3.38Å; A387-F391 PolarHBondContact O-N 2.97Å; F391-L403 HydrophobicContact CB-CD1 3.81Å; F391-L403 HydrophobicContact CB-CG 4.49Å; F391-L403 HydrophobicContact CD1-CD1 4.42Å; F391-L403 HydrophobicContact CD1-CD2 4.24Å; F391-L403 HydrophobicContact CD1-CG 4.21Å; F391-L403 HydrophobicContact CG-CD1 4.35Å; F391-M404 CarbonylContact C-O 3.46Å; F391-M404 VanDerWaalsContact CA-O 3.29Å; F391-M404 WeakPolarHBondContact CA-O 3.16Å; F391-L405 HydrophobicContact CD1-CD1 4.08Å; F391-L405 HydrophobicContact CE1-CD1 3.67Å; F391-L405 HydrophobicContact CZ-CD1 4.25Å; F391-L415 HydrophobicContact CE2-CB 4.08Å; F391-L415 HydrophobicContact CE2-CD1 4.12Å; F391-L415 HydrophobicContact CZ-CB 4.21Å; F391-L415 HydrophobicContact CZ-CD1 4.09Å; F391-A417 HydrophobicContact CD2-CB 3.88Å; F391-A417 HydrophobicContact CE2-CB 4.12Å; F391-A417 HydrophobicContact CG-CB 4.29Å; F391-M439 HydrophobicContact CE1-CE 4.26Å; F391-M439 HydrophobicContact CZ-CE 3.77Å; F391-M439 HydrophobicContact CZ-SD 4.45Å
392T91.6Very high81.9Confident58 Ų5878 Ų7836%0.35637%0.372SS..EExtended strand (participates in β ladder)trans-129.6156.8162.4-1660000109.4M404 V406T392-M404 HydrophobicContact CG2-CB 4.02Å; T392-M404 HydrophobicContact CG2-CE 3.96Å; T392-M404 PolarHBondContact N-O 2.89Å; T392-M404 PolarHBondContact O-N 2.85Å; T392-V406 HydrophobicContact CG2-CG1 3.34Å
393V89.4Confident82.2Confident28 Ų2876.2 Ų76.217%0.1736%0.363CS..EExtended strand (participates in β ladder)trans-115.3123.8174.4-175.30000108.5F379 L381 Q402 L403 V419F379-V393 HydrophobicContact CB-CG1 3.42Å; F379-V393 VanDerWaalsContact CB-CG1 3.42Å; F379-V393 HydrophobicContact CG-CG1 4.2Å; L381-V393 HydrophobicContact CB-CG2 3.9Å; L381-V393 HydrophobicContact CD1-CG2 4.07Å; V393-Q402 CarbonylContact C-O 3.6Å; V393-Q402 WeakPolarHBondContact CA-O 3.25Å; V393-L403 HydrophobicContact CG2-CD1 3.52Å; V393-V419 HydrophobicContact CG1-CG1 4.38Å; V393-V419 HydrophobicContact CG2-CG1 4.19Å; V393-V419 HydrophobicContact CG2-CG2 4.07Å
394Q85.1Confident83.1Confident105 Ų10575.7 Ų75.749%0.49135%0.349SS..EExtended strand (participates in β ladder)trans-115.9140178.4-174.4173.11.300109.8G401 Q402 M404Q394-G401 CarbonylContact O-C 3.49Å; Q394-G401 WeakPolarHBondContact O-CA 3.34Å; Q394-Q402 PolarHBondContact N-O 3.03Å; Q394-Q402 PolarHBondContact O-N 3.5Å; Q394-M404 HydrophobicContact CB-CE 4.44Å
395R81.2Confident83.9Confident122 Ų12273.2 Ų73.246%0.4632%0.323SS..EExtended strand (participates in β ladder)trans-78.6126.7170.5-166-17985.51454.4109.6F379 D397F379-R395 HydrophobicContact CD2-CG 4.36Å; F379-R395 HydrophobicContact CE2-CG 4.36Å; R395-D397 VanDerWaalsContact CD-O 3.22Å; R395-D397 WeakPolarHBondContact CD-O 3.38Å; R395-D397 WeakPolarHBondContact CG-O 3.44Å; R395-D397 PolarHBondContact NE-O 3.14Å
396S79.2Confident84.5Confident54 Ų5464.8 Ų64.838%0.37830%0.299SS..  trans-93.2-44.7178.4-58.70000111.8T400 Q402S396-T400 WeakPolarHBondContact CB-OG1 3.47Å; S396-T400 PolarHBondContact N-O 3.25Å; S396-Q402 WeakPolarHBondContact OG-CG 3.08Å; S396-Q402 PolarHBondContact OG-NE2 3.43Å; S396-Q402 PolarHBondContact OG-OE1 3.07Å
397D75.9Confident85Confident76 Ų7660 Ų6041%0.40628%0.279SS..SBendtrans-144.8-163.9172.365.843.3000111.1R395 Q399 T400R395-D397 VanDerWaalsContact CD-O 3.22Å; R395-D397 WeakPolarHBondContact CD-O 3.38Å; R395-D397 WeakPolarHBondContact CG-O 3.44Å; R395-D397 PolarHBondContact NE-O 3.14Å; D397-Q399 VanDerWaalsContact C-N 3.25Å; D397-Q399 PolarHBondContact O-N 3.05Å; D397-Q399 WeakPolarHBondContact OD1-CA 3.29Å; D397-Q399 PolarHBondContact OD1-N 3.41Å; D397-T400 PolarHBondContact N-O 3.4Å; D397-T400 PolarHBondContact N-OG1 2.91Å; D397-T400 PolarHBondContact OD1-N 2.72Å; D397-T400 PolarHBondContact OD1-OG1 3.42Å; D397-T400 WeakPolarHBondContact OD2-CG2 3.39Å; D397-T400 PolarHBondContact OD2-OG1 3.27Å
398R72.4Confident85.3Confident162 Ų16263 Ų6361%0.61130%0.298SS*.SBendtrans-68.3-23.6-179.7-68-167.6179.1-174.80114L377L377-R398 PolarHBondContact N-O 2.9Å; L377-R398 VanDerWaalsContact N-O 3.16Å
399Q73.3Confident85.4Confident75 Ų7555.4 Ų55.435%0.3527%0.27SS..SBendtrans-121.8-4-171.8-65.1-178.5-4.500113.4S368 A369 L377 D397S368-Q399 WeakPolarHBondContact CA-O 3.43Å; A369-Q399 PolarHBondContact N-O 3.49Å; L377-Q399 VanDerWaalsContact CD1-C 3.43Å; L377-Q399 WeakPolarHBondContact CD1-O 3.42Å; D397-Q399 VanDerWaalsContact C-N 3.25Å; D397-Q399 PolarHBondContact O-N 3.05Å; D397-Q399 WeakPolarHBondContact OD1-CA 3.29Å; D397-Q399 PolarHBondContact OD1-N 3.41Å
400T78.6Confident85.4Confident35 Ų3553.9 Ų53.922%0.21527%0.271CS..EExtended strand (participates in β ladder)trans-129.7139.5-178.3710000112.7V367 S396 D397V367-T400 CarbonylContact O-C 3.56Å; V367-T400 VanDerWaalsContact O-CA 3.25Å; V367-T400 WeakPolarHBondContact O-CA 3.43Å; S396-T400 WeakPolarHBondContact CB-OG1 3.47Å; S396-T400 PolarHBondContact N-O 3.25Å; D397-T400 PolarHBondContact N-O 3.4Å; D397-T400 PolarHBondContact N-OG1 2.91Å; D397-T400 PolarHBondContact OD1-N 2.72Å; D397-T400 PolarHBondContact OD1-OG1 3.42Å; D397-T400 WeakPolarHBondContact OD2-CG2 3.39Å; D397-T400 PolarHBondContact OD2-OG1 3.27Å
401G82.5Confident85.4Confident1 Ų153.8 Ų53.81%0.0128%0.276CS..EExtended strand (participates in β ladder)trans-124.7154.3173.100000110.1R366 V367 F379 Q394R366-G401 CarbonylContact C-O 3.59Å; R366-G401 WeakPolarHBondContact CA-O 3.37Å; V367-G401 PolarHBondContact N-O 3.31Å; V367-G401 PolarHBondContact O-N 3.1Å; F379-G401 VanDerWaalsContact CE2-CA 3.43Å; Q394-G401 CarbonylContact O-C 3.49Å; Q394-G401 WeakPolarHBondContact O-CA 3.34Å
402Q88.8Confident85.4Confident32 Ų3258 Ų5815%0.1530%0.304CS..EExtended strand (participates in β ladder)trans-123.7125.9178.6-79.8174.316.300109.9V363 F365 R366 V393 Q394 S396 M404V363-Q402 HydrophobicContact CG1-CB 4.1Å; V363-Q402 HydrophobicContact CG1-CG 3.78Å; V363-Q402 VanDerWaalsContact CG2-OE1 3.27Å; F365-Q402 CarbonylContact O-C 3.48Å; F365-Q402 VanDerWaalsContact O-CA 3.23Å; F365-Q402 WeakPolarHBondContact O-CA 3.36Å; R366-Q402 HydrophobicContact CG-CG 3.71Å; V393-Q402 CarbonylContact C-O 3.6Å; V393-Q402 WeakPolarHBondContact CA-O 3.25Å; Q394-Q402 PolarHBondContact N-O 3.03Å; Q394-Q402 PolarHBondContact O-N 3.5Å; S396-Q402 WeakPolarHBondContact OG-CG 3.08Å; S396-Q402 PolarHBondContact OG-NE2 3.43Å; S396-Q402 PolarHBondContact OG-OE1 3.07Å; Q402-M404 HydrophobicContact CB-CG 4.39Å
403L89.5Confident85.4Confident2 Ų257.5 Ų57.51%0.0130%0.301CS..EExtended strand (participates in β ladder)trans-83.9118.3162.8-175.870.6000107.2M364 F365 L381 F391 V393 A417 V419 I437M364-L403 PolarHBondContact N-O 3.22Å; F365-L403 HydrophobicContact CB-CB 4.05Å; F365-L403 HydrophobicContact CD2-CD2 4.02Å; F365-L403 PolarHBondContact N-O 3.13Å; F365-L403 PolarHBondContact O-N 3.02Å; L381-L403 HydrophobicContact CD1-CD1 3.92Å; F391-L403 HydrophobicContact CB-CD1 3.81Å; F391-L403 HydrophobicContact CB-CG 4.49Å; F391-L403 HydrophobicContact CD1-CD1 4.42Å; F391-L403 HydrophobicContact CD1-CD2 4.24Å; F391-L403 HydrophobicContact CD1-CG 4.21Å; F391-L403 HydrophobicContact CG-CD1 4.35Å; V393-L403 HydrophobicContact CG2-CD1 3.52Å; L403-A417 HydrophobicContact CD2-CB 4.21Å; L403-V419 HydrophobicContact CD1-CG2 3.87Å; L403-V419 HydrophobicContact CD2-CG2 4.33Å; L403-I437 HydrophobicContact CD2-CD1 3.55Å
404M90.3Very high85.5Confident31 Ų3159.6 Ų59.615%0.15331%0.314CS..EExtended strand (participates in β ladder)trans-110136.6178.1-57.6-157.2-57.100110.8R362 V363 F391 T392 Q394 Q402R362-M404 CarbonylContact O-C 3.58Å; R362-M404 VanDerWaalsContact O-CA 3.29Å; R362-M404 WeakPolarHBondContact O-CA 3.06Å; V363-M404 HydrophobicContact CG2-CG 4.21Å; V363-M404 HydrophobicContact CG2-SD 4.17Å; F391-M404 CarbonylContact C-O 3.46Å; F391-M404 VanDerWaalsContact CA-O 3.29Å; F391-M404 WeakPolarHBondContact CA-O 3.16Å; T392-M404 HydrophobicContact CG2-CB 4.02Å; T392-M404 HydrophobicContact CG2-CE 3.96Å; T392-M404 PolarHBondContact N-O 2.89Å; T392-M404 PolarHBondContact O-N 2.85Å; Q394-M404 HydrophobicContact CB-CE 4.44Å; Q402-M404 HydrophobicContact CB-CG 4.39Å
405L90.7Very high85.8Confident0 Ų054.9 Ų54.90%029%0.292CS..EExtended strand (participates in β ladder)trans-75.2123.8163.1-171.275000108.1L358 A360 P361 R362 M364 H390 F391 S407 V409L358-L405 HydrophobicContact CB-CD2 4.16Å; L358-L405 HydrophobicContact CD2-CD2 4.08Å; A360-L405 HydrophobicContact CB-CD2 4.37Å; A360-L405 HydrophobicContact CB-CG 4.35Å; P361-L405 VanDerWaalsContact CA-O 3.24Å; P361-L405 WeakPolarHBondContact CA-O 3.38Å; R362-L405 PolarHBondContact N-O 2.99Å; R362-L405 PolarHBondContact O-N 3.47Å; M364-L405 HydrophobicContact CG-CB 3.72Å; M364-L405 HydrophobicContact SD-CB 3.99Å; H390-L405 HydrophobicContact CB-CD1 4.24Å; H390-L405 CarbonylContact O-C 3.59Å; H390-L405 WeakPolarHBondContact O-CA 3.34Å; H390-L405 WeakPolarHBondContact O-CD1 3.48Å; F391-L405 HydrophobicContact CD1-CD1 4.08Å; F391-L405 HydrophobicContact CE1-CD1 3.67Å; F391-L405 HydrophobicContact CZ-CD1 4.25Å; L405-S407 WeakPolarHBondContact CG-O 3.37Å; L405-V409 HydrophobicContact CD1-CG2 3.83Å
406V91.8Very high86.3Confident64 Ų6455.4 Ų55.439%0.38830%0.3SS..  trans-108.5-15.4-177.1-65.50000113.6H390 T392H390-V406 WeakPolarHBondContact O-CG2 3.47Å; H390-V406 PolarHBondContact O-N 3.3Å; T392-V406 HydrophobicContact CG2-CG1 3.34Å
407S89.1Confident86.9Confident27 Ų2752.9 Ų52.919%0.18928%0.282CS..SBendtrans-137.3144.4174.7580000110.4R389 H390 L405R389-S407 PolarHBondContact O-OG 2.86Å; H390-S407 WeakPolarHBondContact CA-OG 3.28Å; H390-S407 PolarHBondContact ND1-OG 3.11Å; L405-S407 WeakPolarHBondContact CG-O 3.37Å
408P87.8Confident87.6Confident72 Ų7252.1 Ų52.147%0.46828%0.276SS..  trans-62.1150.6177.927.3-34.4000110.2
409V87.6Confident88.5Confident7 Ų744.4 Ų44.44%0.04225%0.247CC..  trans-122.8121.8-179.2-172.90000108.2N357 H390 L405 T413 L415 M439 V441N357-V409 WeakPolarHBondContact CA-O 3.45Å; N357-V409 PolarHBondContact N-O 3.44Å; H390-V409 HydrophobicContact CB-CG2 4.41Å; L405-V409 HydrophobicContact CD1-CG2 3.83Å; V409-T413 HydrophobicContact CG1-CG2 3.58Å; V409-L415 HydrophobicContact CB-CD1 4.18Å; V409-L415 HydrophobicContact CG1-CD1 3.58Å; V409-L415 HydrophobicContact CG1-CG 4.25Å; V409-L415 HydrophobicContact CG2-CD1 3.54Å; V409-M439 HydrophobicContact CG2-CE 4.4Å; V409-V441 HydrophobicContact CB-CG2 4.48Å; V409-V441 HydrophobicContact CG1-CB 4.48Å; V409-V441 HydrophobicContact CG1-CG1 4.29Å; V409-V441 HydrophobicContact CG1-CG2 3.85Å
410Q88.9Confident89.3Confident151 Ų15142.1 Ų42.171%0.70624%0.236SC*.  trans-89.8130.3170.8-67.2-178.7-11.100108.6T413Q410-T413 WeakPolarHBondContact O-CG2 3.37Å
411G87.3Confident89.8Confident20 Ų2041.3 Ų41.321%0.20623%0.23CC..SBendtrans-92.5179.2170.600000112.8S356 S442S356-G411 PolarHBondContact OG-N 3.24Å; G411-S442 VanDerWaalsContact CA-O 3.23Å; G411-S442 WeakPolarHBondContact CA-O 3.23Å
412P92.5Very high90Very high96 Ų9641.5 Ų41.562%0.62323%0.231SC*.SBendcis-76.9124.20.830.2-32.2000111.3V441 Q443P412-V441 WeakPolarHBondContact CA-O 3.35Å; P412-Q443 HydrophobicContact CB-CB 4.19Å; P412-Q443 HydrophobicContact CG-CB 4.29Å
413T91.9Very high89.7Confident48 Ų4841.1 Ų41.129%0.29423%0.23SC..EExtended strand (participates in β ladder)trans-154.2154.6176.7-166.30000111.4V409 Q410 L415 V441V409-T413 HydrophobicContact CG1-CG2 3.58Å; Q410-T413 WeakPolarHBondContact O-CG2 3.37Å; T413-L415 HydrophobicContact CG2-CD2 4.5Å; T413-L415 HydrophobicContact CG2-CG 4.29Å; T413-V441 HydrophobicContact CG2-CB 3.96Å; T413-V441 HydrophobicContact CG2-CG2 3.94Å; T413-V441 PolarHBondContact N-O 2.96Å; T413-V441 WeakPolarHBondContact O-CB 3.39Å; T413-V441 PolarHBondContact O-N 2.84Å
414T92.2Very high89.2Confident72 Ų7242.9 Ų42.944%0.44224%0.239SC..EExtended strand (participates in β ladder)trans-110.3124171.8-58.40000108.6T438 M439 F440T414-T438 HydrophobicContact CG2-CG2 3.55Å; T414-M439 WeakPolarHBondContact CA-O 3.43Å; T414-F440 HydrophobicContact CG2-CD1 3.91Å; T414-F440 HydrophobicContact CG2-CE1 3.92Å
415L90.8Very high88.8Confident6 Ų645.3 Ų45.33%0.03125%0.25CC..EExtended strand (participates in β ladder)trans-110.4139.3176.6-66.8-174.2000110.6H390 F391 V409 T413 T438 M439H390-L415 HydrophobicContact CB-CD1 4.15Å; F391-L415 HydrophobicContact CE2-CB 4.08Å; F391-L415 HydrophobicContact CE2-CD1 4.12Å; F391-L415 HydrophobicContact CZ-CB 4.21Å; F391-L415 HydrophobicContact CZ-CD1 4.09Å; V409-L415 HydrophobicContact CB-CD1 4.18Å; V409-L415 HydrophobicContact CG1-CD1 3.58Å; V409-L415 HydrophobicContact CG1-CG 4.25Å; V409-L415 HydrophobicContact CG2-CD1 3.54Å; T413-L415 HydrophobicContact CG2-CD2 4.5Å; T413-L415 HydrophobicContact CG2-CG 4.29Å; L415-T438 CarbonylContact O-C 3.53Å; L415-T438 WeakPolarHBondContact O-CA 3.23Å; L415-M439 HydrophobicContact CB-CB 4.48Å; L415-M439 HydrophobicContact CB-CE 4.2Å; L415-M439 HydrophobicContact CD1-CE 3.69Å; L415-M439 HydrophobicContact CG-CE 4.35Å; L415-M439 PolarHBondContact N-O 3.46Å; L415-M439 PolarHBondContact O-N 2.81Å
416E91.5Very high88.2Confident132 Ų13255.6 Ų55.662%0.61729%0.289SS*.EExtended strand (participates in β ladder)trans-119.1137.1176.7-61.7-172.7157.200110.3I437 T438E416-I437 CarbonylContact C-O 3.57Å; E416-I437 WeakPolarHBondContact CA-O 2.93Å; E416-T438 HydrophobicContact CG-CG2 4.37Å
417A90.9Very high87.3Confident1 Ų164 Ų641%0.00831%0.313CS..EExtended strand (participates in β ladder)trans-133.1132.2173.800000109.2L381 F391 L403 I437L381-A417 HydrophobicContact CD1-CB 4.16Å; F391-A417 HydrophobicContact CD2-CB 3.88Å; F391-A417 HydrophobicContact CE2-CB 4.12Å; F391-A417 HydrophobicContact CG-CB 4.29Å; L403-A417 HydrophobicContact CD2-CB 4.21Å; A417-I437 HydrophobicContact CB-CB 4.44Å; A417-I437 PolarHBondContact N-O 2.75Å; A417-I437 PolarHBondContact O-N 3Å
418E92.1Very high86.9Confident60 Ų6067.1 Ų67.128%0.2833%0.331SS..EExtended strand (participates in β ladder)trans-109.1123171.8-62.4-169.6163.600108.7L382 T435 K436L382-E418 CarbonylContact C-O 3.31Å; L382-E418 WeakPolarHBondContact CA-O 3.33Å; L382-E418 HydrophobicContact CB-CB 3.75Å; L382-E418 WeakPolarHBondContact CB-O 3.36Å; L382-E418 PolarHBondContact N-O 3.19Å; L382-E418 WeakPolarHBondContact O-CB 3.25Å; L382-E418 PolarHBondContact O-N 3.19Å; E418-T435 CarbonylContact C-O 3.38Å; E418-T435 WeakPolarHBondContact CA-O 3.36Å; E418-K436 HydrophobicContact CG-CD 4.42Å; E418-K436 HydrophobicContact CG-CG 4.12Å; E418-K436 WeakPolarHBondContact OE1-CD 3.45Å; E418-K436 WeakPolarHBondContact OE1-CE 3.22Å; E418-K436 IonicContact OE1-NZ 3.64Å; E418-K436 PolarHBondContact OE1-NZ 2.73Å
419V90.7Very high86.5Confident1 Ų168.3 Ų68.31%0.00633%0.331CS..EExtended strand (participates in β ladder)trans-111120.7178.3-176.80000108.3L381 V393 L403 T435 I437L381-V419 HydrophobicContact CD1-CG2 4.19Å; V393-V419 HydrophobicContact CG1-CG1 4.38Å; V393-V419 HydrophobicContact CG2-CG1 4.19Å; V393-V419 HydrophobicContact CG2-CG2 4.07Å; L403-V419 HydrophobicContact CD1-CG2 3.87Å; L403-V419 HydrophobicContact CD2-CG2 4.33Å; V419-T435 PolarHBondContact N-O 3.02Å; V419-T435 PolarHBondContact O-N 3.39Å; V419-I437 HydrophobicContact CG2-CD1 4.23Å
420E90.9Very high86.1Confident26 Ų2672.1 Ų72.112%0.12135%0.35CS..EExtended strand (participates in β ladder)trans-92.2128.9169.1171.4-171.5133.200110.1F379 T380 L382 S422 R432 Y433F379-E420 CarbonylContact C-O 3.58Å; F379-E420 VanDerWaalsContact CA-O 3.31Å; F379-E420 WeakPolarHBondContact CA-O 3.42Å; T380-E420 PolarHBondContact N-O 3.3Å; T380-E420 PolarHBondContact O-N 2.82Å; T380-E420 WeakPolarHBondContact OG1-CB 3.46Å; L382-E420 HydrophobicContact CD1-CB 3.59Å; L382-E420 HydrophobicContact CD2-CB 4.15Å; L382-E420 HydrophobicContact CG-CB 3.68Å; E420-S422 PolarHBondContact OE1-OG 3.49Å; E420-R432 HydrophobicContact CG-CG 3.86Å; E420-R432 IonicContact OE1-NE 2.97Å; E420-R432 IonicContact OE2-CZ 3.72Å; E420-R432 IonicContact OE2-NE 2.92Å; E420-R432 PolarHBondContact OE2-NE 2.77Å; E420-R432 IonicContact OE2-NH2 3.85Å; E420-R432 PolarHBondContact OE2-NH2 3.34Å; E420-Y433 WeakPolarHBondContact CA-O 3.27Å
421M87.7Confident85.8Confident19 Ų1965.1 Ų65.19%0.09432%0.318CS..EExtended strand (participates in β ladder)trans-110.4118.8168.2-178.7-177.775.900108.7V367 L377 R378 F379 R432 Y433V367-M421 HydrophobicContact CG1-SD 3.97Å; L377-M421 HydrophobicContact CD1-CG 4.42Å; L377-M421 HydrophobicContact CD1-SD 3.89Å; L377-M421 HydrophobicContact CD2-CG 4.09Å; L377-M421 HydrophobicContact CD2-SD 4.15Å; R378-M421 WeakPolarHBondContact O-CA 3.34Å; F379-M421 HydrophobicContact CD1-CB 4.15Å; F379-M421 HydrophobicContact CD1-CG 4.15Å; F379-M421 HydrophobicContact CE1-CB 4.09Å; F379-M421 HydrophobicContact CE1-CG 3.69Å; F379-M421 HydrophobicContact CE1-SD 3.92Å; F379-M421 HydrophobicContact CZ-CG 4.31Å; F379-M421 HydrophobicContact CZ-SD 4.38Å; M421-R432 CarbonylContact O-C 3.57Å; M421-Y433 HydrophobicContact CE-CD2 3.35Å; M421-Y433 HydrophobicContact CE-CE2 3.96Å; M421-Y433 HydrophobicContact CE-CG 3.74Å; M421-Y433 PolarHBondContact N-O 3.5Å; M421-Y433 WeakPolarHBondContact O-CD2 3.29Å; M421-Y433 PolarHBondContact O-N 3.39Å
422S87Confident85.9Confident4 Ų467.2 Ų67.23%0.02832%0.32CS..EExtended strand (participates in β ladder)trans-108.7125.5176.8-72.10000109.5R378 E420 L424R378-S422 PolarHBondContact N-O 2.73Å; R378-S422 PolarHBondContact O-N 2.92Å; E420-S422 PolarHBondContact OE1-OG 3.49Å; S422-L424 WeakPolarHBondContact O-CD1 3.41Å
423E83.5Confident85.8Confident25 Ų2565.4 Ų65.412%0.11730%0.301CS..EExtended strand (participates in β ladder)trans-94.7122.5179.6-179.4179.5-17500109L377 Q429 L430 G431 Y433L377-E423 HydrophobicContact CD2-CB 4.23Å; L377-E423 HydrophobicContact CD2-CG 4.48Å; E423-Q429 CarbonylContact O-C 3.51Å; E423-Q429 WeakPolarHBondContact O-CA 3.12Å; E423-L430 HydrophobicContact CG-CB 4.29Å; E423-L430 HydrophobicContact CG-CD1 4.49Å; E423-L430 PolarHBondContact O-N 3.24Å; E423-G431 PolarHBondContact N-O 3.35Å; E423-Y433 HydrophobicContact CB-CE2 3.98Å; E423-Y433 WeakPolarHBondContact OE2-CE2 3.37Å; E423-Y433 PolarHBondContact OE2-OH 3.48Å
424L79Confident85.9Confident38 Ų3863.6 Ų63.620%0.19929%0.29CS..EExtended strand (participates in β ladder)trans-122134.9-178.5-59.3101.3000111.6G374 D375 T376 R378 S422 V428G374-L424 CarbonylContact C-O 3.36Å; G374-L424 WeakPolarHBondContact CA-O 3.38Å; D375-L424 PolarHBondContact N-O 2.03Å; T376-L424 PolarHBondContact O-N 3.31Å; R378-L424 HydrophobicContact CB-CD1 3.92Å; S422-L424 WeakPolarHBondContact O-CD1 3.41Å; L424-V428 CarbonylContact C-O 3.54Å; L424-V428 VanDerWaalsContact CA-O 3.3Å; L424-V428 WeakPolarHBondContact CA-O 3.16Å
425E79.9Confident85.8Confident83 Ų8360.8 Ų60.839%0.38827%0.273SS..EExtended strand (participates in β ladder)trans-121.6122.7169-178.3173.2-148.500108.8R427 V428 L430E425-R427 PolarHBondContact O-N 2.03Å; E425-R427 VanDerWaalsContact O-N 3.1Å; E425-V428 PolarHBondContact N-O 3.23Å; E425-V428 WeakPolarHBondContact O-CA 3.43Å; E425-V428 WeakPolarHBondContact O-CB 3.41Å; E425-V428 PolarHBondContact O-N 3.48Å; E425-L430 HydrophobicContact CB-CD1 3.51Å; E425-L430 HydrophobicContact CB-CD2 4.29Å; E425-L430 HydrophobicContact CB-CG 3.86Å
426R78.7Confident86Confident215 Ų21563.4 Ų63.481%0.81128%0.284SS*.THydrogen-bonded Turntrans48.838.7-176.8-59.1-179.2178.5-179.30114V428R426-V428 PolarHBondContact O-N 2.81Å
427R74Confident86Confident240 Ų24057.4 Ų57.491%0.90626%0.256SS*.THydrogen-bonded Turntrans68.27.1-174.9-51-173.2-179.5-159.81.3115.9E425E425-R427 PolarHBondContact O-N 2.03Å; E425-R427 VanDerWaalsContact O-N 3.1Å
428V79.6Confident86.1Confident94 Ų9458.2 Ų58.257%0.5726%0.261SS*.EExtended strand (participates in β ladder)trans-93.4129.1170.4-1770000108.7L424 E425 R426 L430L424-V428 CarbonylContact C-O 3.54Å; L424-V428 VanDerWaalsContact CA-O 3.3Å; L424-V428 WeakPolarHBondContact CA-O 3.16Å; E425-V428 PolarHBondContact N-O 3.23Å; E425-V428 WeakPolarHBondContact O-CA 3.43Å; E425-V428 WeakPolarHBondContact O-CB 3.41Å; E425-V428 PolarHBondContact O-N 3.48Å; R426-V428 PolarHBondContact O-N 2.81Å; V428-L430 PolarHBondContact O-N 2.83Å
429Q80.2Confident86.1Confident97 Ų9755.5 Ų55.545%0.45325%0.248SC..EExtended strand (participates in β ladder)trans-75.4116.4177.3-174.3178.4-6500109.8E423E423-Q429 CarbonylContact O-C 3.51Å; E423-Q429 WeakPolarHBondContact O-CA 3.12Å
430L79.3Confident86.3Confident86 Ų8656.8 Ų56.845%0.4525%0.254SS..EExtended strand (participates in β ladder)trans-87.2-33.7177.9-64.5-177.1000112.3E423 E425 V428E423-L430 HydrophobicContact CG-CB 4.29Å; E423-L430 HydrophobicContact CG-CD1 4.49Å; E423-L430 PolarHBondContact O-N 3.24Å; E425-L430 HydrophobicContact CB-CD1 3.51Å; E425-L430 HydrophobicContact CB-CD2 4.29Å; E425-L430 HydrophobicContact CB-CG 3.86Å; V428-L430 PolarHBondContact O-N 2.83Å
431G82.9Confident86.4Confident4 Ų456 Ų564%0.04125%0.25CS..EExtended strand (participates in β ladder)trans-161.3155.3-174.300000112.2E423E423-G431 PolarHBondContact N-O 3.35Å
432R89Confident86.7Confident65 Ų6555.5 Ų55.525%0.24525%0.249CC..EExtended strand (participates in β ladder)trans-136.2118.5178.8-179.3-178.4175.6-1500.5108.8P344 T345 E420 M421P344-R432 CarbonylContact C-O 3.59Å; P344-R432 WeakPolarHBondContact CA-O 3.35Å; P344-R432 WeakPolarHBondContact CB-O 3.45Å; T345-R432 PolarHBondContact N-O 2.95Å; T345-R432 PolarHBondContact OG1-O 3.38Å; E420-R432 HydrophobicContact CG-CG 3.86Å; E420-R432 IonicContact OE1-NE 2.97Å; E420-R432 IonicContact OE2-CZ 3.72Å; E420-R432 IonicContact OE2-NE 2.92Å; E420-R432 PolarHBondContact OE2-NE 2.77Å; E420-R432 IonicContact OE2-NH2 3.85Å; E420-R432 PolarHBondContact OE2-NH2 3.34Å; M421-R432 CarbonylContact O-C 3.57Å
433Y90.3Very high86.9Confident57 Ų5760.9 Ų60.922%0.22427%0.274CS..EExtended strand (participates in β ladder)trans-118.4130.5-173.1-48.9-92.5000108.7T345 S346 E420 M421 E423T345-Y433 WeakPolarHBondContact OG1-CD1 3.46Å; T345-Y433 WeakPolarHBondContact OG1-CE1 3.33Å; S346-Y433 WeakPolarHBondContact OG-CD1 3.31Å; E420-Y433 WeakPolarHBondContact CA-O 3.27Å; M421-Y433 HydrophobicContact CE-CD2 3.35Å; M421-Y433 HydrophobicContact CE-CE2 3.96Å; M421-Y433 HydrophobicContact CE-CG 3.74Å; M421-Y433 PolarHBondContact N-O 3.5Å; M421-Y433 WeakPolarHBondContact O-CD2 3.29Å; M421-Y433 PolarHBondContact O-N 3.39Å; E423-Y433 HydrophobicContact CB-CE2 3.98Å; E423-Y433 WeakPolarHBondContact OE2-CE2 3.37Å; E423-Y433 PolarHBondContact OE2-OH 3.48Å
434I92.9Very high87.3Confident10 Ų1062.3 Ų62.35%0.05128%0.278CS..EExtended strand (participates in β ladder)trans-109.1127.3179.3-64.3-175.8000109.1P344 S346 F347 S348 L382 K436P344-I434 HydrophobicContact CB-CD1 4.04Å; P344-I434 HydrophobicContact CB-CG1 4.07Å; P344-I434 HydrophobicContact CG-CD1 3.43Å; P344-I434 VanDerWaalsContact CG-CD1 3.43Å; P344-I434 HydrophobicContact CG-CG1 3.99Å; S346-I434 PolarHBondContact O-N 3.18Å; F347-I434 CarbonylContact C-O 3.6Å; F347-I434 VanDerWaalsContact CA-O 3.25Å; F347-I434 WeakPolarHBondContact CA-O 3.5Å; F347-I434 HydrophobicContact CD1-CB 3.69Å; F347-I434 HydrophobicContact CD1-CD1 4.42Å; F347-I434 HydrophobicContact CD1-CG2 3.78Å; F347-I434 HydrophobicContact CE1-CB 3.78Å; F347-I434 HydrophobicContact CE1-CD1 3.61Å; F347-I434 HydrophobicContact CE1-CG1 4.17Å; F347-I434 HydrophobicContact CE1-CG2 3.89Å; F347-I434 HydrophobicContact CG-CB 4.44Å; F347-I434 HydrophobicContact CZ-CD1 3.94Å; S348-I434 PolarHBondContact N-O 3.47Å; L382-I434 HydrophobicContact CD1-CD1 3.93Å; L382-I434 HydrophobicContact CD1-CG1 4.26Å; I434-K436 HydrophobicContact CG2-CG 4.29Å
435T91.7Very high87.7Confident14 Ų1466.3 Ų66.39%0.08630%0.296CS..EExtended strand (participates in β ladder)trans-110.6113.9174.5-54.20000108S348 H350 E418 V419 I437S348-T435 CarbonylContact O-C 3.59Å; S348-T435 WeakPolarHBondContact O-CA 3.23Å; S348-T435 PolarHBondContact OG-OG1 3.49Å; H350-T435 VanDerWaalsContact CD2-CG2 3.43Å; H350-T435 WeakPolarHBondContact CD2-CG2 3.5Å; E418-T435 CarbonylContact C-O 3.38Å; E418-T435 WeakPolarHBondContact CA-O 3.36Å; V419-T435 PolarHBondContact N-O 3.02Å; V419-T435 PolarHBondContact O-N 3.39Å; T435-I437 HydrophobicContact CG2-CD1 4.1Å; T435-I437 HydrophobicContact CG2-CG1 3.97Å
436K93.3Very high87.8Confident61 Ų6165.9 Ų65.927%0.26529%0.293SS..EExtended strand (participates in β ladder)trans-92.1125.4172.4-56.9-157.2-178.8-146.20109.1S348 Y349 H350 E418 I434S348-K436 PolarHBondContact O-N 2.92Å; Y349-K436 CarbonylContact C-O 3.57Å; Y349-K436 WeakPolarHBondContact CA-O 3.44Å; Y349-K436 HydrophobicContact CD1-CB 4.15Å; Y349-K436 HydrophobicContact CD1-CD 4.23Å; Y349-K436 HydrophobicContact CE1-CD 3.82Å; Y349-K436 HydrophobicContact CE1-CG 4.43Å; H350-K436 PolarHBondContact N-O 3.36Å; E418-K436 HydrophobicContact CG-CD 4.42Å; E418-K436 HydrophobicContact CG-CG 4.12Å; E418-K436 WeakPolarHBondContact OE1-CD 3.45Å; E418-K436 WeakPolarHBondContact OE1-CE 3.22Å; E418-K436 IonicContact OE1-NZ 3.64Å; E418-K436 PolarHBondContact OE1-NZ 2.73Å; I434-K436 HydrophobicContact CG2-CG 4.29Å
437I92.3Very high88.3Confident5 Ų558.4 Ų58.43%0.02627%0.267CS..EExtended strand (participates in β ladder)trans-120.4119.9-177.7-67.9159.6000107.3H350 F365 L403 E416 A417 V419 T435H350-I437 HydrophobicContact CB-CG1 4.22Å; H350-I437 CarbonylContact O-C 3.53Å; H350-I437 WeakPolarHBondContact O-CA 3.43Å; F365-I437 HydrophobicContact CB-CD1 4.5Å; F365-I437 HydrophobicContact CD1-CD1 4.29Å; F365-I437 HydrophobicContact CD2-CD1 3.7Å; F365-I437 HydrophobicContact CD2-CG1 4.33Å; F365-I437 HydrophobicContact CD2-CG2 4.12Å; F365-I437 HydrophobicContact CE1-CD1 4.41Å; F365-I437 HydrophobicContact CE1-CG1 4.32Å; F365-I437 HydrophobicContact CE2-CB 4.2Å; F365-I437 HydrophobicContact CE2-CD1 3.81Å; F365-I437 HydrophobicContact CE2-CG1 3.92Å; F365-I437 HydrophobicContact CE2-CG2 3.23Å; F365-I437 HydrophobicContact CG-CD1 3.92Å; F365-I437 HydrophobicContact CZ-CB 4.39Å; F365-I437 HydrophobicContact CZ-CD1 4.16Å; F365-I437 HydrophobicContact CZ-CG1 3.91Å; F365-I437 HydrophobicContact CZ-CG2 3.62Å; L403-I437 HydrophobicContact CD2-CD1 3.55Å; E416-I437 CarbonylContact C-O 3.57Å; E416-I437 WeakPolarHBondContact CA-O 2.93Å; A417-I437 HydrophobicContact CB-CB 4.44Å; A417-I437 PolarHBondContact N-O 2.75Å; A417-I437 PolarHBondContact O-N 3Å; V419-I437 HydrophobicContact CG2-CD1 4.23Å; T435-I437 HydrophobicContact CG2-CD1 4.1Å; T435-I437 HydrophobicContact CG2-CG1 3.97Å
438T93.2Very high89Confident18 Ų1848.8 Ų48.811%0.1123%0.234CC..EExtended strand (participates in β ladder)trans-110.6126.2173.6-56.90000108.3H350 Y351 L352 T414 L415 E416 F440H350-T438 PolarHBondContact O-N 2.88Å; Y351-T438 CarbonylContact C-O 3.52Å; Y351-T438 VanDerWaalsContact CA-O 3.27Å; Y351-T438 WeakPolarHBondContact CA-O 3.49Å; Y351-T438 HydrophobicContact CD1-CG2 4.18Å; L352-T438 PolarHBondContact N-O 3.1Å; T414-T438 HydrophobicContact CG2-CG2 3.55Å; L415-T438 CarbonylContact O-C 3.53Å; L415-T438 WeakPolarHBondContact O-CA 3.23Å; E416-T438 HydrophobicContact CG-CG2 4.37Å; T438-F440 HydrophobicContact CG2-CD1 4.49Å; T438-F440 HydrophobicContact CG2-CE1 3.84Å; T438-F440 HydrophobicContact CG2-CE2 4.41Å; T438-F440 HydrophobicContact CG2-CZ 3.81Å
439M91.8Very high89.5Confident4 Ų446.3 Ų46.32%0.0222%0.215CC..EExtended strand (participates in β ladder)trans-118.2118.5-178-175.1173.475.600109.5L352 V354 M364 F391 V409 T414 L415 V441L352-M439 HydrophobicContact CB-CG 4.44Å; L352-M439 CarbonylContact O-C 3.54Å; L352-M439 WeakPolarHBondContact O-CA 3.05Å; V354-M439 HydrophobicContact CG1-CG 4.12Å; V354-M439 HydrophobicContact CG1-SD 4Å; V354-M439 HydrophobicContact CG2-CE 4.24Å; V354-M439 HydrophobicContact CG2-CG 3.62Å; V354-M439 HydrophobicContact CG2-SD 3.68Å; M364-M439 HydrophobicContact CE-SD 3.49Å; M364-M439 WeakPolarHBondContact CE-SD 3.04Å; F391-M439 HydrophobicContact CE1-CE 4.26Å; F391-M439 HydrophobicContact CZ-CE 3.77Å; F391-M439 HydrophobicContact CZ-SD 4.45Å; V409-M439 HydrophobicContact CG2-CE 4.4Å; T414-M439 WeakPolarHBondContact CA-O 3.43Å; L415-M439 HydrophobicContact CB-CB 4.48Å; L415-M439 HydrophobicContact CB-CE 4.2Å; L415-M439 HydrophobicContact CD1-CE 3.69Å; L415-M439 HydrophobicContact CG-CE 4.35Å; L415-M439 PolarHBondContact N-O 3.46Å; L415-M439 PolarHBondContact O-N 2.81Å; M439-V441 HydrophobicContact CE-CG2 3.81Å; M439-V441 HydrophobicContact CG-CG2 4.3Å
440F94.4Very high90.1Very high27 Ų2743.4 Ų43.412%0.11820%0.201CC..EExtended strand (participates in β ladder)trans-91.1110.5174.3-54.1-66.8000108.6V299 T301 Q306 V308 Y351 L352 A353 V354 T414 T438V299-F440 HydrophobicContact CB-CE2 4.48Å; V299-F440 HydrophobicContact CG1-CD2 4.31Å; V299-F440 HydrophobicContact CG1-CE2 4.01Å; T301-F440 HydrophobicContact CG2-CB 3.77Å; T301-F440 HydrophobicContact CG2-CD2 3.58Å; T301-F440 HydrophobicContact CG2-CE2 4.33Å; T301-F440 HydrophobicContact CG2-CG 3.78Å; Q306-F440 HydrophobicContact CB-CE1 4.43Å; Q306-F440 HydrophobicContact CB-CE2 4.28Å; Q306-F440 HydrophobicContact CB-CZ 4.03Å; Q306-F440 HydrophobicContact CG-CD1 4.28Å; Q306-F440 HydrophobicContact CG-CE1 4.01Å; Q306-F440 HydrophobicContact CG-CE2 4.47Å; Q306-F440 HydrophobicContact CG-CZ 4.11Å; V308-F440 HydrophobicContact CG1-CZ 4.27Å; Y351-F440 AromaticContact CD1-CE2 3.93Å; Y351-F440 HydrophobicContact CD1-CE2 3.93Å; Y351-F440 AromaticContact CD1-CZ 4Å; Y351-F440 HydrophobicContact CD1-CZ 4Å; Y351-F440 HydrophobicContact CG-CE2 4.42Å; L352-F440 WeakPolarHBondContact O-CD2 3Å; L352-F440 PolarHBondContact O-N 3.38Å; A353-F440 WeakPolarHBondContact CA-O 3.09Å; V354-F440 PolarHBondContact N-O 3.29Å; T414-F440 HydrophobicContact CG2-CD1 3.91Å; T414-F440 HydrophobicContact CG2-CE1 3.92Å; T438-F440 HydrophobicContact CG2-CD1 4.49Å; T438-F440 HydrophobicContact CG2-CE1 3.84Å; T438-F440 HydrophobicContact CG2-CE2 4.41Å; T438-F440 HydrophobicContact CG2-CZ 3.81Å
441V93.4Very high90.8Very high9 Ų940.7 Ų40.76%0.05519%0.185CC..EExtended strand (participates in β ladder)trans-95.1121.1179.1-170.50000108.4V354 V409 P412 T413 M439V354-V441 HydrophobicContact CG2-CB 4.21Å; V354-V441 HydrophobicContact CG2-CG1 4.24Å; V354-V441 HydrophobicContact CG2-CG2 3.78Å; V354-V441 WeakPolarHBondContact O-CA 3.02Å; V409-V441 HydrophobicContact CB-CG2 4.48Å; V409-V441 HydrophobicContact CG1-CB 4.48Å; V409-V441 HydrophobicContact CG1-CG1 4.29Å; V409-V441 HydrophobicContact CG1-CG2 3.85Å; P412-V441 WeakPolarHBondContact CA-O 3.35Å; T413-V441 HydrophobicContact CG2-CB 3.96Å; T413-V441 HydrophobicContact CG2-CG2 3.94Å; T413-V441 PolarHBondContact N-O 2.96Å; T413-V441 WeakPolarHBondContact O-CB 3.39Å; T413-V441 PolarHBondContact O-N 2.84Å; M439-V441 HydrophobicContact CE-CG2 3.81Å; M439-V441 HydrophobicContact CG-CG2 4.3Å
442S93.8Very high91.3Very high10 Ų1043.1 Ų43.17%0.0720%0.195CC..  trans-61.6156.9177.7-165.40000111.9Y270 Y302 V354 S356 G411 Y444Y270-S442 PolarHBondContact OH-OG 2.79Å; Y302-S442 PolarHBondContact O-OG 3.11Å; Y302-S442 VanDerWaalsContact O-OG 3.14Å; V354-S442 PolarHBondContact O-N 3.36Å; S356-S442 VanDerWaalsContact CB-O 3.31Å; S356-S442 WeakPolarHBondContact CB-O 3.12Å; G411-S442 VanDerWaalsContact CA-O 3.23Å; G411-S442 WeakPolarHBondContact CA-O 3.23Å; S442-Y444 PolarHBondContact OG-N 2.95Å
443Q92.5Very high91.4Very high116 Ų11641.6 Ų41.654%0.54219%0.191SC..SBendtrans-67-28.6166179.4172.7-5.500112.3P412P412-Q443 HydrophobicContact CB-CB 4.19Å; P412-Q443 HydrophobicContact CG-CB 4.29Å
444Y90.4Very high91.5Very high55 Ų5540.4 Ų40.422%0.21619%0.189CC..SBendtrans-102.2152.8-173.5-54.8-65.6000112.1H253 P267 Y270 S356 S442 F446H253-Y444 AromaticContact CE1-CE1 3.95Å; P267-Y444 HydrophobicContact CB-CD2 4.48Å; P267-Y444 HydrophobicContact CB-CE2 3.53Å; P267-Y444 WeakPolarHBondContact CB-OH 3.26Å; P267-Y444 HydrophobicContact CG-CD2 4.17Å; P267-Y444 HydrophobicContact CG-CE1 3.94Å; P267-Y444 HydrophobicContact CG-CE2 3.55Å; P267-Y444 VanDerWaalsContact CG-CZ 3.42Å; Y270-Y444 AromaticContact CE2-CD2 3.9Å; Y270-Y444 HydrophobicContact CE2-CD2 3.9Å; Y270-Y444 HydrophobicContact CE2-CE2 4.14Å; S356-Y444 WeakPolarHBondContact CB-O 3.48Å; S356-Y444 PolarHBondContact N-O 2.93Å; S442-Y444 PolarHBondContact OG-N 2.95Å; Y444-F446 AromaticContact CD1-CE1 3.82Å; Y444-F446 HydrophobicContact CD1-CE1 3.82Å; Y444-F446 HydrophobicContact CD1-CZ 4.02Å; Y444-F446 HydrophobicContact CD2-CZ 4.16Å; Y444-F446 AromaticContact CG-CE1 3.76Å; Y444-F446 HydrophobicContact CG-CE1 3.76Å; Y444-F446 HydrophobicContact CG-CE2 4.44Å; Y444-F446 AromaticContact CG-CZ 3.69Å; Y444-F446 HydrophobicContact CG-CZ 3.69Å
445E88.3Confident91.4Very high123 Ų12342.9 Ų42.958%0.57520%0.2SC*.  trans-89.4-3.7179.2-61.6-175.1157.900113.3N357N357-E445 HydrophobicContact CB-CG 3.94Å; N357-E445 WeakPolarHBondContact CB-OE1 3.45Å; N357-E445 PolarHBondContact ND2-OE1 3.06Å
446F82.1Confident91.4Very high73 Ų7345.5 Ų45.532%0.3221%0.211SC..  trans-109.10-173.160.7-103.5000113.7L252 H253 P267 Y270 C279 Y444L252-F446 HydrophobicContact CD1-CB 3.97Å; L252-F446 HydrophobicContact CD1-CG 4.25Å; L252-F446 HydrophobicContact CD2-CB 3.95Å; L252-F446 HydrophobicContact CD2-CD1 4.46Å; L252-F446 HydrophobicContact CD2-CD2 3.59Å; L252-F446 HydrophobicContact CD2-CE2 4.2Å; L252-F446 HydrophobicContact CD2-CG 3.75Å; L252-F446 HydrophobicContact CG-CB 4.16Å; L252-F446 HydrophobicContact CG-CD1 4.18Å; L252-F446 HydrophobicContact CG-CD2 4.18Å; L252-F446 HydrophobicContact CG-CG 3.92Å; H253-F446 HydrophobicContact CB-CE1 4.37Å; H253-F446 HydrophobicContact CB-CZ 4.19Å; P267-F446 HydrophobicContact CG-CZ 4.02Å; Y270-F446 HydrophobicContact CD1-CE2 4.19Å; Y270-F446 HydrophobicContact CE1-CD2 4.47Å; Y270-F446 AromaticContact CE1-CE2 4Å; Y270-F446 HydrophobicContact CE1-CE2 4Å; C279-F446 HydrophobicContact CB-CD2 4.34Å; C279-F446 HydrophobicContact CB-CE2 3.83Å; Y444-F446 AromaticContact CD1-CE1 3.82Å; Y444-F446 HydrophobicContact CD1-CE1 3.82Å; Y444-F446 HydrophobicContact CD1-CZ 4.02Å; Y444-F446 HydrophobicContact CD2-CZ 4.16Å; Y444-F446 AromaticContact CG-CE1 3.76Å; Y444-F446 HydrophobicContact CG-CE1 3.76Å; Y444-F446 HydrophobicContact CG-CE2 4.44Å; Y444-F446 AromaticContact CG-CZ 3.69Å; Y444-F446 HydrophobicContact CG-CZ 3.69Å

Retrieved 446 of 446 residues in 146.5 ms (Link to these results)