A0A060W887_ONCMY Loading...

Neural EGFL like 2

AlphaFold DB , UniProt , Accession A0A060W887, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110508655, Length 812 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
1M40.6Very low30.8Very low255 Ų255159.6 Ų159.6100%1.25685%0.846SS**  086.90-80.3156.675.300107.3
2G31.9Very low30.6Very low75 Ų75163 Ų16377%0.77385%0.849SS**  trans-113137.2-168.700000112.3
3L26.7Very low30.3Very low176 Ų176159.2 Ų159.292%0.92184%0.842SS**  trans34108.7151.9-109.365.7000118.7L5L3-L5 PolarHBondContact O-N 3.03Å
4K30.2Very low30.3Very low206 Ų206157.1 Ų157.190%0.89684%0.839SS**PPolyproline II helixtrans-73.7117.6162.7-80-176.7173.7-178.50110
5L28.6Very low30.3Very low151 Ų151154.5 Ų154.579%0.79183%0.831SS**PPolyproline II helixtrans-85.8119169.8-153.780.4000108.3L3 I7L3-L5 PolarHBondContact O-N 3.03Å; L5-I7 HydrophobicContact CD2-CG1 4.45Å
6F31.7Very low30Very low187 Ų187151.5 Ų151.582%0.8283%0.826SS**PPolyproline II helixtrans-85.4117.5167.6-97.1-87.7000108.6
7I31.2Very low30.4Very low134 Ų134150.6 Ų150.669%0.68783%0.826SS**  trans-93.9110.7171.4-66.4170.9000107.1L5 L9L5-I7 HydrophobicContact CD2-CG1 4.45Å; I7-L9 HydrophobicContact CG2-CD1 4.2Å
8F30.6Very low30.5Very low198 Ų198152 Ų15287%0.86883%0.831SS**  trans-85.5113166.1-117.3-92.3000107.8G10F8-G10 PolarHBondContact O-N 3.41Å
9L30.3Very low30.5Very low144 Ų144147.5 Ų147.575%0.75482%0.824SS**  trans-75.4110166.9-115.587.6000108I7 L11I7-L9 HydrophobicContact CG2-CD1 4.2Å; L9-L11 PolarHBondContact O-N 3.22Å
10G27Very low31Very low67 Ų67151.8 Ų151.869%0.69183%0.833SS**  trans-76.7111.5166.400000110.1F8 F12F8-G10 PolarHBondContact O-N 3.41Å; G10-F12 PolarHBondContact O-N 3.08Å
11L30.6Very low31.6Very low163 Ų163147.7 Ų147.785%0.85383%0.826SS**  trans-74.5103.7160-104.286.3000107.8L9 C13L9-L11 PolarHBondContact O-N 3.22Å; L11-C13 PolarHBondContact O-N 2.87Å; L11-C13 VanDerWaalsContact O-N 3.13Å
12F28.1Very low32.5Very low200 Ų200138.4 Ų138.488%0.87778%0.784SS**  trans-68102161.2-95.9-91.8000108.1G10 V14G10-F12 PolarHBondContact O-N 3.08Å; F12-V14 PolarHBondContact O-N 3.26Å
13C26.8Very low34.3Very low113 Ų113139.3 Ų139.376%0.76477%0.771SS**  trans-79105.8163.9-149.60000107L11 T15L11-C13 PolarHBondContact O-N 2.87Å; L11-C13 VanDerWaalsContact O-N 3.13Å; C13-T15 PolarHBondContact O-N 3.01Å; C13-T15 VanDerWaalsContact O-N 3.13Å
14V30.6Very low36.1Very low131 Ų131136 Ų13679%0.79476%0.759SS**  trans-71.498.6170.4179.60000106.8F12 S16F12-V14 PolarHBondContact O-N 3.26Å; V14-S16 PolarHBondContact O-N 3.3Å
15T29.2Very low37.9Very low118 Ų118129 Ų12972%0.72474%0.74SS**  trans-79.3112.7165.740.90000108.4C13 V17C13-T15 PolarHBondContact O-N 3.01Å; C13-T15 VanDerWaalsContact O-N 3.13Å; T15-V17 PolarHBondContact O-N 2.97Å
16S26.5Very low40.2Very low106 Ų106124.8 Ų124.874%0.74172%0.718SS**  trans-61.7109.117046.90000110V14 L18V14-S16 PolarHBondContact O-N 3.3Å; S16-L18 PolarHBondContact O-N 3.13Å
17V37.1Very low42.8Very low136 Ų136117 Ų11782%0.82469%0.687SS**  trans-78.896.5165.8179.90000107.8T15T15-V17 PolarHBondContact O-N 2.97Å
18L32.4Very low45.5Very low176 Ų176110.7 Ų110.792%0.92165%0.654SS**  trans-144.3100.7162-89171.6000108.4S16S16-L18 PolarHBondContact O-N 3.13Å
19G29.4Very low48.3Very low67 Ų67103 Ų10369%0.69162%0.623SS**  trans165.1117.2172.300000109.7G21G19-G21 PolarHBondContact O-N 3.26Å
20F39.9Very low51.1Low233 Ų23396.2 Ų96.2100%1.02259%0.587SS**  trans-66.875.7164.4-86.1-94.8000108.1
21G44.7Very low54Low66 Ų6693.2 Ų93.268%0.6856%0.555SS**PPolyproline II helixtrans-95.4130.117400000109.8G19G19-G21 PolarHBondContact O-N 3.26Å
22V58.4Low56.5Low60 Ų6089.9 Ų89.936%0.36454%0.538SS..PPolyproline II helixtrans-61.5138.8165.7-178.20000108P24 C27 L209 M211V22-P24 WeakPolarHBondContact O-CD 2.84Å; V22-C27 HydrophobicContact CG1-CB 4.48Å; V22-L209 HydrophobicContact CG1-CD2 4.42Å; V22-M211 HydrophobicContact CG1-SD 4.14Å
23D70.6Confident59.1Low93 Ų9383 Ų8350%0.49751%0.508SS..PPolyproline II helixtrans-55.7122.5177.3-173.5-18.9000109.8A25 L26 C27D23-A25 PolarHBondContact O-N 2.04Å; D23-A25 WeakPolarHBondContact OD1-CB 3.36Å; D23-A25 PolarHBondContact OD1-N 2.93Å; D23-L26 HydrophobicContact CB-CD1 4.23Å; D23-L26 HydrophobicContact CB-CG 4.45Å; D23-L26 PolarHBondContact O-N 3.22Å; D23-C27 PolarHBondContact O-N 2.03Å
24P64.9Low61.7Low106 Ų10677.8 Ų77.869%0.68847%0.473SS*.THydrogen-bonded Turntrans-54.5-23.3178-25.733.7000114.2V22 L26 K78V22-P24 WeakPolarHBondContact O-CD 2.84Å; P24-L26 VanDerWaalsContact C-N 3.29Å; P24-L26 PolarHBondContact O-N 3.29Å; P24-K78 PolarHBondContact O-NZ 3.06Å
25A68.2Low63.8Low60 Ų6076.4 Ų76.450%0.49647%0.465SS..THydrogen-bonded Turntrans-69.6-24.4175.800000113.5D23D23-A25 PolarHBondContact O-N 2.04Å; D23-A25 WeakPolarHBondContact OD1-CB 3.36Å; D23-A25 PolarHBondContact OD1-N 2.93Å
26L76.7Confident65.6Low62 Ų6271 Ų7133%0.32543%0.431SS..THydrogen-bonded Turntrans-105-2-175.5-64.7172000113.5D23 P24 V210D23-L26 HydrophobicContact CB-CD1 4.23Å; D23-L26 HydrophobicContact CB-CG 4.45Å; D23-L26 PolarHBondContact O-N 3.22Å; P24-L26 VanDerWaalsContact C-N 3.29Å; P24-L26 PolarHBondContact O-N 3.29Å; L26-V210 HydrophobicContact CD2-CB 4.14Å; L26-V210 HydrophobicContact CD2-CG1 4.47Å; L26-V210 PolarHBondContact O-N 3.4Å
27C85.8Confident67.2Low24 Ų2468.4 Ų68.416%0.16242%0.422CS..EExtended strand (participates in β ladder)trans-107.3136.8177.5-177.30000110.6V22 D23 K78 L209V22-C27 HydrophobicContact CG1-CB 4.48Å; D23-C27 PolarHBondContact O-N 2.03Å; C27-K78 PolarHBondContact O-NZ 2.91Å; C27-L209 HydrophobicContact CB-CD2 3.85Å; C27-L209 VanDerWaalsContact SG-CD2 3.51Å
28I88.3Confident68Low1 Ų171.1 Ų71.11%0.00543%0.426CS..EExtended strand (participates in β ladder)trans-115.1101.1167.9-57.5167.4000106.6V30 M75 K78 L79 Q207 I208I28-V30 HydrophobicContact CG2-CG2 4.45Å; I28-V30 PolarHBondContact O-N 3.44Å; I28-M75 WeakPolarHBondContact CD1-O 3.41Å; I28-M75 HydrophobicContact CG2-CB 4.07Å; I28-M75 HydrophobicContact CG2-CE 3.49Å; I28-M75 VanDerWaalsContact CG2-CE 3.49Å; I28-M75 HydrophobicContact CG2-CG 3.81Å; I28-M75 HydrophobicContact CG2-SD 4.39Å; I28-K78 HydrophobicContact CD1-CB 3.98Å; I28-K78 HydrophobicContact CD1-CD 4.36Å; I28-K78 HydrophobicContact CG1-CB 4.21Å; I28-K78 HydrophobicContact CG1-CD 3.69Å; I28-L79 HydrophobicContact CD1-CD1 3.85Å; I28-L79 HydrophobicContact CD1-CD2 4.39Å; I28-L79 HydrophobicContact CD1-CG 3.75Å; I28-Q207 CarbonylContact O-C 3.07Å; I28-Q207 VanDerWaalsContact O-CA 3.25Å; I28-Q207 WeakPolarHBondContact O-CA 3.38Å; I28-I208 HydrophobicContact CB-CB 4.22Å; I28-I208 HydrophobicContact CD1-CB 4.28Å; I28-I208 PolarHBondContact N-O 2.83Å; I28-I208 PolarHBondContact O-N 3.21Å
29N88.7Confident69.2Low38 Ų3866.3 Ų66.320%0.20342%0.419CS..EExtended strand (participates in β ladder)trans-87.5106171.5-172.6-23.4000109.1F31 D32 E33 Q207N29-F31 VanDerWaalsContact C-N 3.32Å; N29-F31 PolarHBondContact O-N 3.16Å; N29-F31 PolarHBondContact OD1-N 2.96Å; N29-D32 HydrophobicContact CB-CB 4.21Å; N29-D32 VanDerWaalsContact CG-OD2 3.28Å; N29-D32 PolarHBondContact ND2-OD2 2.91Å; N29-D32 PolarHBondContact O-N 3.12Å; N29-E33 WeakPolarHBondContact O-CG 3.42Å; N29-E33 PolarHBondContact O-N 2.73Å; N29-E33 VanDerWaalsContact O-N 3.12Å; N29-Q207 HydrophobicContact CB-CG 4.46Å
30V88.9Confident71.1Confident0 Ų065.6 Ų65.60%040%0.397CS..Hα-helixtrans-65.8-35.9-168.3179.40000111.8I28 L34 M75 F187 L189 V206I28-V30 HydrophobicContact CG2-CG2 4.45Å; I28-V30 PolarHBondContact O-N 3.44Å; V30-L34 HydrophobicContact CG1-CD1 3.55Å; V30-L34 HydrophobicContact CG1-CG 4.28Å; V30-L34 VanDerWaalsContact O-CB 3.28Å; V30-L34 WeakPolarHBondContact O-CB 3.33Å; V30-L34 WeakPolarHBondContact O-CG 3.39Å; V30-L34 PolarHBondContact O-N 3.18Å; V30-M75 HydrophobicContact CB-CE 4.42Å; V30-M75 HydrophobicContact CG1-CE 4.24Å; V30-M75 HydrophobicContact CG2-CE 3.97Å; V30-F187 HydrophobicContact CG1-CE1 3.53Å; V30-F187 HydrophobicContact CG1-CZ 3.85Å; V30-F187 HydrophobicContact CG2-CE1 4.43Å; V30-F187 HydrophobicContact CG2-CZ 3.93Å; V30-L189 HydrophobicContact CG1-CD1 4.09Å; V30-L189 HydrophobicContact CG1-CD2 3.88Å; V30-L189 HydrophobicContact CG1-CG 4.43Å; V30-V206 HydrophobicContact CB-CB 4.19Å; V30-V206 HydrophobicContact CB-CG1 3.99Å; V30-V206 WeakPolarHBondContact CB-O 3.36Å; V30-V206 HydrophobicContact CG1-CG1 4.47Å; V30-V206 HydrophobicContact CG2-CB 4.5Å; V30-V206 HydrophobicContact CG2-CG1 3.88Å; V30-V206 PolarHBondContact N-O 3.46Å
31F87.5Confident72.6Confident5 Ų561.2 Ų61.22%0.02238%0.384CS..Hα-helixtrans-74.8-27.7180-68.8-30000114.4N29 T35 L36 R54 F56 F58 L189 M203 V206N29-F31 VanDerWaalsContact C-N 3.32Å; N29-F31 PolarHBondContact O-N 3.16Å; N29-F31 PolarHBondContact OD1-N 2.96Å; F31-T35 PolarHBondContact O-N 3.24Å; F31-L36 HydrophobicContact CD1-CD1 3.29Å; F31-L36 HydrophobicContact CD1-CG 4.32Å; F31-L36 HydrophobicContact CE1-CD1 3.43Å; F31-L36 VanDerWaalsContact CE1-CD1 3.43Å; F31-L36 HydrophobicContact CG-CD1 4.4Å; F31-R54 PolarHBondContact O-NH2 3.2Å; F31-F56 HydrophobicContact CB-CE2 4.14Å; F31-F56 AromaticContact CD1-CD2 3.94Å; F31-F56 HydrophobicContact CD1-CD2 3.94Å; F31-F56 HydrophobicContact CD1-CE2 4.16Å; F31-F56 AromaticContact CD2-CD2 3.94Å; F31-F56 HydrophobicContact CD2-CD2 3.94Å; F31-F56 HydrophobicContact CD2-CE2 4.06Å; F31-F56 AromaticContact CE1-CD2 3.81Å; F31-F56 HydrophobicContact CE1-CD2 3.81Å; F31-F56 HydrophobicContact CE1-CE2 4.49Å; F31-F56 AromaticContact CE2-CD2 3.88Å; F31-F56 HydrophobicContact CE2-CD2 3.88Å; F31-F56 HydrophobicContact CE2-CE2 4.45Å; F31-F56 AromaticContact CG-CD2 3.97Å; F31-F56 HydrophobicContact CG-CD2 3.97Å; F31-F56 AromaticContact CG-CE2 3.9Å; F31-F56 HydrophobicContact CG-CE2 3.9Å; F31-F56 HydrophobicContact CZ-CB 4.49Å; F31-F56 AromaticContact CZ-CD2 3.8Å; F31-F56 HydrophobicContact CZ-CD2 3.8Å; F31-F58 HydrophobicContact CE1-CZ 4.28Å; F31-L189 HydrophobicContact CD1-CD2 3.87Å; F31-L189 HydrophobicContact CE1-CD2 3.45Å; F31-L189 VanDerWaalsContact CE1-CD2 3.45Å; F31-M203 HydrophobicContact CZ-CB 3.95Å; F31-V206 HydrophobicContact CE1-CG2 4.13Å; F31-V206 HydrophobicContact CE2-CB 4.46Å; F31-V206 HydrophobicContact CE2-CG2 3.9Å; F31-V206 HydrophobicContact CZ-CB 4.41Å; F31-V206 HydrophobicContact CZ-CG2 3.62Å
32D84.7Confident74.2Confident93 Ų9359.2 Ų59.250%0.49736%0.363SS..Hα-helixtrans-78.6-35.6176.2-66.6-21.8000111N29 R54N29-D32 HydrophobicContact CB-CB 4.21Å; N29-D32 VanDerWaalsContact CG-OD2 3.28Å; N29-D32 PolarHBondContact ND2-OD2 2.91Å; N29-D32 PolarHBondContact O-N 3.12Å; D32-R54 IonicContact OD1-NH2 3.38Å; D32-R54 PolarHBondContact OD1-NH2 2.95Å
33E82.6Confident75.6Confident55 Ų5557.1 Ų57.126%0.25735%0.351SS..Hα-helixtrans-72.3-40.5175.7-67.2-72.7176.800112.7N29 V71 R74 M75N29-E33 WeakPolarHBondContact O-CG 3.42Å; N29-E33 PolarHBondContact O-N 2.73Å; N29-E33 VanDerWaalsContact O-N 3.12Å; E33-V71 HydrophobicContact CB-CG1 3.91Å; E33-R74 IonicContact OE2-NH2 3.18Å; E33-M75 HydrophobicContact CB-CG 4.25Å; E33-M75 HydrophobicContact CB-SD 3.88Å; E33-M75 HydrophobicContact CG-CG 4.09Å; E33-M75 HydrophobicContact CG-SD 4.32Å
34L80.8Confident76.4Confident3 Ų355.5 Ų55.52%0.01634%0.344CS..Hα-helixtrans-78.3-15.2-178.8-77.7172.7000114.5V30 L36 A67 L189V30-L34 HydrophobicContact CG1-CD1 3.55Å; V30-L34 HydrophobicContact CG1-CG 4.28Å; V30-L34 VanDerWaalsContact O-CB 3.28Å; V30-L34 WeakPolarHBondContact O-CB 3.33Å; V30-L34 WeakPolarHBondContact O-CG 3.39Å; V30-L34 PolarHBondContact O-N 3.18Å; L34-L36 VanDerWaalsContact C-N 3.31Å; L34-L36 HydrophobicContact CB-CD2 4.05Å; L34-L36 HydrophobicContact CB-CG 3.97Å; L34-L36 HydrophobicContact CD1-CD2 4.43Å; L34-L36 PolarHBondContact O-N 2.91Å; L34-A67 HydrophobicContact CD2-CB 3.48Å; L34-A67 VanDerWaalsContact CD2-CB 3.48Å; L34-L189 HydrophobicContact CD1-CB 4.04Å; L34-L189 HydrophobicContact CD1-CD2 3.83Å
35T74.1Confident77.6Confident103 Ų10356.1 Ų56.163%0.63234%0.338SS*.THydrogen-bonded Turntrans49.546.2-175.156.40000113.8F31 G37F31-T35 PolarHBondContact O-N 3.24Å; T35-G37 PolarHBondContact O-N 3.48Å
36L67.9Low78.6Confident3 Ų355.7 Ų55.72%0.01633%0.329CS..THydrogen-bonded Turntrans-61.1129.5-179.5-62179.1000111.3F31 L34 F40 F56 F58 V65 L189F31-L36 HydrophobicContact CD1-CD1 3.29Å; F31-L36 HydrophobicContact CD1-CG 4.32Å; F31-L36 HydrophobicContact CE1-CD1 3.43Å; F31-L36 VanDerWaalsContact CE1-CD1 3.43Å; F31-L36 HydrophobicContact CG-CD1 4.4Å; L34-L36 VanDerWaalsContact C-N 3.31Å; L34-L36 HydrophobicContact CB-CD2 4.05Å; L34-L36 HydrophobicContact CB-CG 3.97Å; L34-L36 HydrophobicContact CD1-CD2 4.43Å; L34-L36 PolarHBondContact O-N 2.91Å; L36-F40 HydrophobicContact CD2-CD2 3.64Å; L36-F40 HydrophobicContact CD2-CE2 3.74Å; L36-F40 HydrophobicContact CD2-CG 4.32Å; L36-F40 HydrophobicContact CD2-CZ 4.49Å; L36-F56 HydrophobicContact CB-CD1 4.1Å; L36-F56 HydrophobicContact CB-CD2 4.4Å; L36-F56 HydrophobicContact CB-CE1 3.73Å; L36-F56 HydrophobicContact CB-CE2 4.07Å; L36-F56 HydrophobicContact CB-CG 4.41Å; L36-F56 HydrophobicContact CB-CZ 3.72Å; L36-F56 HydrophobicContact CD1-CD2 4.15Å; L36-F56 HydrophobicContact CD1-CE2 4.42Å; L36-F56 HydrophobicContact CD1-CG 4.31Å; L36-F56 VanDerWaalsContact O-CE1 3.25Å; L36-F56 WeakPolarHBondContact O-CE1 3.22Å; L36-F56 VanDerWaalsContact O-CZ 3.23Å; L36-F56 WeakPolarHBondContact O-CZ 3.48Å; L36-F58 HydrophobicContact CD1-CZ 4.46Å; L36-V65 HydrophobicContact CD2-CG1 3.85Å; L36-L189 HydrophobicContact CD1-CD2 4.03Å
37G58.6Low79.2Confident53 Ų5361.2 Ų61.255%0.54635%0.353SS..THydrogen-bonded Turntrans143.7-29.1175.600000115.3T35T35-G37 PolarHBondContact O-N 3.48Å
38E55.1Low79.3Confident193 Ų19360.8 Ų60.890%0.90235%0.353SS*.SBendtrans-124.287.8176.8-67.4-173.8169.600109.6
39G57.6Low79.3Confident75 Ų7565.5 Ų65.577%0.77337%0.374SS*.SBendtrans132.3-3.816800000118
40F69.3Low79.3Confident51 Ų5166.5 Ų66.522%0.22438%0.377CS..  trans-105.2109.8177.4-64.1-78.6000111.4L36 V43 E64 V65L36-F40 HydrophobicContact CD2-CD2 3.64Å; L36-F40 HydrophobicContact CD2-CE2 3.74Å; L36-F40 HydrophobicContact CD2-CG 4.32Å; L36-F40 HydrophobicContact CD2-CZ 4.49Å; F40-V43 HydrophobicContact CB-CB 4.35Å; F40-V43 HydrophobicContact CB-CG2 4.31Å; F40-V43 PolarHBondContact O-N 3.09Å; F40-E64 VanDerWaalsContact CD1-O 3.22Å; F40-E64 WeakPolarHBondContact CD1-O 3.31Å; F40-E64 WeakPolarHBondContact CE1-O 3.03Å; F40-V65 HydrophobicContact CD1-CG2 4.41Å
41D71.1Confident79Confident142 Ų14272.1 Ų72.176%0.75942%0.416SS*.THydrogen-bonded Turntrans-62.4135.5172.8-75.5-32.6000110.6R63D41-R63 VanDerWaalsContact O-CB 3.28Å; D41-R63 WeakPolarHBondContact O-CB 3.47Å
42G77.8Confident78.8Confident24 Ų2480.3 Ų80.325%0.24745%0.454CS..THydrogen-bonded Turntrans85.13.3179.200000115.9Q59G42-Q59 WeakPolarHBondContact CA-O 3.14Å; G42-Q59 WeakPolarHBondContact O-CG 3.01Å; G42-Q59 PolarHBondContact O-N 3.2Å; G42-Q59 VanDerWaalsContact O-O 3.05Å
43V87.5Confident78.8Confident16 Ų1677.6 Ų77.610%0.09744%0.443CS..EExtended strand (participates in β ladder)trans-116.8121.8173.9-177.90000110F40 F56 H57 F58 V65F40-V43 HydrophobicContact CB-CB 4.35Å; F40-V43 HydrophobicContact CB-CG2 4.31Å; F40-V43 PolarHBondContact O-N 3.09Å; V43-F56 HydrophobicContact CG1-CB 3.91Å; V43-F56 HydrophobicContact CG1-CD1 3.98Å; V43-F56 HydrophobicContact CG1-CG 4.26Å; V43-H57 WeakPolarHBondContact CA-O 3.02Å; V43-F58 HydrophobicContact CG2-CD1 3.97Å; V43-F58 HydrophobicContact CG2-CE1 4.09Å; V43-V65 HydrophobicContact CG2-CG2 3.64Å
44T88.5Confident79.1Confident59 Ų5979.2 Ų79.236%0.36245%0.447SS..EExtended strand (participates in β ladder)trans-124.9139.4178.456.50000111.6F56 H57T44-F56 CarbonylContact O-C 3.53Å; T44-F56 WeakPolarHBondContact O-CA 2.99Å; T44-H57 PolarHBondContact N-O 2.78Å; T44-H57 PolarHBondContact O-N 2.84Å
45Q89.1Confident79.6Confident119 Ų11979.1 Ų79.156%0.55645%0.446SS*.EExtended strand (participates in β ladder)trans-74.3130.5175.7-169.7179.6-10.100110A55 F56Q45-A55 WeakPolarHBondContact CA-O 3.37Å; Q45-F56 HydrophobicContact CB-CD1 4.1Å; Q45-F56 HydrophobicContact CB-CE1 3.93Å; Q45-F56 HydrophobicContact CG-CD1 4.45Å; Q45-F56 HydrophobicContact CG-CE1 4.12Å
46V90Very high80.5Confident51 Ų5174.2 Ų74.231%0.30942%0.416SS..EExtended strand (participates in β ladder)trans-132.9170.8-178.2-640000111.1G48 A55 H57 V202V46-G48 PolarHBondContact O-N 2.94Å; V46-A55 HydrophobicContact CG2-CB 4.37Å; V46-A55 PolarHBondContact N-O 2.76Å; V46-H57 HydrophobicContact CG1-CB 3.71Å; V46-H57 HydrophobicContact CG2-CB 3.95Å; V46-V202 HydrophobicContact CG2-CG1 3.63Å; V46-V202 HydrophobicContact CG2-CG2 4.21Å
47Q88.9Confident81.6Confident178 Ų17876 Ų7683%0.83242%0.424SS*.  trans-73.3125.3169.7-173.6173.8-0.400109.8
48G88.8Confident83.2Confident15 Ų1573.5 Ų73.516%0.15540%0.398CS..  trans-88.8-165.6-178.100000114.7V46 H50 Q204V46-G48 PolarHBondContact O-N 2.94Å; G48-H50 VanDerWaalsContact C-N 3.27Å; G48-H50 PolarHBondContact O-N 2.04Å; G48-Q204 VanDerWaalsContact CA-OE1 3.28Å
49F88.1Confident84.6Confident100 Ų10068.3 Ų68.344%0.43937%0.374SS..SBendtrans-57.1-38.5170.5-175.6-103.2000112.2T90 W148F49-T90 HydrophobicContact CB-CG2 4.04Å; F49-T90 HydrophobicContact CD1-CG2 4.44Å; F49-T90 HydrophobicContact CG-CG2 4.2Å; F49-W148 HydrophobicContact CB-CD2 3.98Å; F49-W148 HydrophobicContact CB-CE3 3.94Å; F49-W148 HydrophobicContact CB-CH2 4.34Å; F49-W148 HydrophobicContact CB-CZ2 4.41Å; F49-W148 HydrophobicContact CB-CZ3 4.12Å; F49-W148 HydrophobicContact CD2-CB 3.66Å; F49-W148 HydrophobicContact CD2-CD2 4.03Å; F49-W148 HydrophobicContact CD2-CE3 4.47Å; F49-W148 AromaticContact CD2-CG 3.7Å; F49-W148 HydrophobicContact CD2-CG 3.7Å; F49-W148 HydrophobicContact CE2-CB 4.04Å; F49-W148 HydrophobicContact CE2-CG 4.48Å; F49-W148 HydrophobicContact CG-CD2 4.49Å
50H87.4Confident85.5Confident58 Ų5866.8 Ų66.827%0.26936%0.359SS..SBendtrans-137.7167172.261.269.4000112.7G48 E52 S53 Q204 D205G48-H50 VanDerWaalsContact C-N 3.27Å; G48-H50 PolarHBondContact O-N 2.04Å; H50-E52 PolarHBondContact ND1-N 2.77Å; H50-S53 PolarHBondContact CE1-OG 2.86Å; H50-Q204 PolarHBondContact ND1-NE2 2.8Å; H50-Q204 PolarHBondContact O-NE2 2.88Å; H50-D205 IonicContact CE1-OD1 3.51Å; H50-D205 IonicContact CE1-OD2 2.78Å; H50-D205 IonicContact NE2-OD1 3.88Å; H50-D205 IonicContact NE2-OD2 2.74Å; H50-D205 PolarHBondContact NE2-OD2 2.95Å
51S83.3Confident85.4Confident118 Ų11868.4 Ų68.483%0.82538%0.376SS*.SBendtrans-87.9-8-176.4560000115.1
52E83Confident85.5Confident177 Ų17766 Ų6683%0.82737%0.371SS*.SBendtrans-75.4-23.2-174.6-56.5-174.6165.700114.1H50H50-E52 PolarHBondContact ND1-N 2.77Å
53S86.1Confident85.8Confident37 Ų3765.3 Ų65.326%0.25936%0.36SS..SBendtrans-133.4163.6-178.8710000111.2H50 Q204 D205H50-S53 PolarHBondContact CE1-OG 2.86Å; S53-Q204 PolarHBondContact O-NE2 2.85Å; S53-Q204 VanDerWaalsContact OG-CG 3.24Å; S53-Q204 WeakPolarHBondContact OG-CG 3.28Å; S53-Q204 PolarHBondContact OG-NE2 3.44Å; S53-D205 WeakPolarHBondContact CB-OD1 3.3Å; S53-D205 PolarHBondContact OG-OD1 3.45Å
54R89.1Confident85.7Confident89 Ų8970 Ų7034%0.33638%0.381SS..  trans-81.3137.3-179.8-60.3-179.7-71.5152.12.1109.8F31 D32 F56F31-R54 PolarHBondContact O-NH2 3.2Å; D32-R54 IonicContact OD1-NH2 3.38Å; D32-R54 PolarHBondContact OD1-NH2 2.95Å; R54-F56 HydrophobicContact CB-CE2 3.92Å; R54-F56 HydrophobicContact CB-CZ 4.16Å
55A90.9Very high85.7Confident1 Ų167.1 Ų67.11%0.00836%0.364CS..EExtended strand (participates in β ladder)trans-114.9145.9171.700000110.4Q45 V46 V202 M203 Q204Q45-A55 WeakPolarHBondContact CA-O 3.37Å; V46-A55 HydrophobicContact CG2-CB 4.37Å; V46-A55 PolarHBondContact N-O 2.76Å; A55-V202 HydrophobicContact CB-CG1 3.95Å; A55-M203 WeakPolarHBondContact CA-O 2.99Å; A55-Q204 HydrophobicContact CB-CB 3.96Å; A55-Q204 HydrophobicContact CB-CG 4.03Å
56F92.1Very high85.6Confident0 Ų064.3 Ų64.30%035%0.35CS..EExtended strand (participates in β ladder)trans-125.4131.9-177.7-64.6-83.4000110.2F31 L36 V43 T44 Q45 R54 F58 V202 M203F31-F56 HydrophobicContact CB-CE2 4.14Å; F31-F56 AromaticContact CD1-CD2 3.94Å; F31-F56 HydrophobicContact CD1-CD2 3.94Å; F31-F56 HydrophobicContact CD1-CE2 4.16Å; F31-F56 AromaticContact CD2-CD2 3.94Å; F31-F56 HydrophobicContact CD2-CD2 3.94Å; F31-F56 HydrophobicContact CD2-CE2 4.06Å; F31-F56 AromaticContact CE1-CD2 3.81Å; F31-F56 HydrophobicContact CE1-CD2 3.81Å; F31-F56 HydrophobicContact CE1-CE2 4.49Å; F31-F56 AromaticContact CE2-CD2 3.88Å; F31-F56 HydrophobicContact CE2-CD2 3.88Å; F31-F56 HydrophobicContact CE2-CE2 4.45Å; F31-F56 AromaticContact CG-CD2 3.97Å; F31-F56 HydrophobicContact CG-CD2 3.97Å; F31-F56 AromaticContact CG-CE2 3.9Å; F31-F56 HydrophobicContact CG-CE2 3.9Å; F31-F56 HydrophobicContact CZ-CB 4.49Å; F31-F56 AromaticContact CZ-CD2 3.8Å; F31-F56 HydrophobicContact CZ-CD2 3.8Å; L36-F56 HydrophobicContact CB-CD1 4.1Å; L36-F56 HydrophobicContact CB-CD2 4.4Å; L36-F56 HydrophobicContact CB-CE1 3.73Å; L36-F56 HydrophobicContact CB-CE2 4.07Å; L36-F56 HydrophobicContact CB-CG 4.41Å; L36-F56 HydrophobicContact CB-CZ 3.72Å; L36-F56 HydrophobicContact CD1-CD2 4.15Å; L36-F56 HydrophobicContact CD1-CE2 4.42Å; L36-F56 HydrophobicContact CD1-CG 4.31Å; L36-F56 VanDerWaalsContact O-CE1 3.25Å; L36-F56 WeakPolarHBondContact O-CE1 3.22Å; L36-F56 VanDerWaalsContact O-CZ 3.23Å; L36-F56 WeakPolarHBondContact O-CZ 3.48Å; V43-F56 HydrophobicContact CG1-CB 3.91Å; V43-F56 HydrophobicContact CG1-CD1 3.98Å; V43-F56 HydrophobicContact CG1-CG 4.26Å; T44-F56 CarbonylContact O-C 3.53Å; T44-F56 WeakPolarHBondContact O-CA 2.99Å; Q45-F56 HydrophobicContact CB-CD1 4.1Å; Q45-F56 HydrophobicContact CB-CE1 3.93Å; Q45-F56 HydrophobicContact CG-CD1 4.45Å; Q45-F56 HydrophobicContact CG-CE1 4.12Å; R54-F56 HydrophobicContact CB-CE2 3.92Å; R54-F56 HydrophobicContact CB-CZ 4.16Å; F56-F58 HydrophobicContact CB-CE2 3.95Å; F56-F58 HydrophobicContact CB-CZ 4.48Å; F56-F58 WeakPolarHBondContact O-CD2 3.43Å; F56-V202 WeakPolarHBondContact O-CA 3.47Å; F56-M203 PolarHBondContact N-O 3.32Å; F56-M203 PolarHBondContact O-N 2.79Å
57H91.7Very high85.6Confident40 Ų4061.9 Ų61.919%0.18534%0.335CS..EExtended strand (participates in β ladder)trans-92.5121.6173.8-176-120.1000109.4V43 T44 V46 Q59 G201 V202V43-H57 WeakPolarHBondContact CA-O 3.02Å; T44-H57 PolarHBondContact N-O 2.78Å; T44-H57 PolarHBondContact O-N 2.84Å; V46-H57 HydrophobicContact CG1-CB 3.71Å; V46-H57 HydrophobicContact CG2-CB 3.95Å; H57-Q59 PolarHBondContact CE1-OE1 3.22Å; H57-Q59 VanDerWaalsContact CE1-OE1 3.27Å; H57-Q59 PolarHBondContact ND1-OE1 2.86Å; H57-Q59 VanDerWaalsContact ND1-OE1 3.13Å; H57-G201 CarbonylContact C-O 3.53Å; H57-G201 WeakPolarHBondContact CA-O 3.24Å; H57-G201 PolarHBondContact CD2-O 2.9Å; H57-V202 HydrophobicContact CB-CG2 4.35Å
58F91.1Very high85.5Confident0 Ų056.4 Ų56.40%032%0.315CS..EExtended strand (participates in β ladder)trans-98113.2178.5-67-101.9000108.4F31 L36 V43 F56 V65 L189 F199 K200 G201 M203F31-F58 HydrophobicContact CE1-CZ 4.28Å; L36-F58 HydrophobicContact CD1-CZ 4.46Å; V43-F58 HydrophobicContact CG2-CD1 3.97Å; V43-F58 HydrophobicContact CG2-CE1 4.09Å; F56-F58 HydrophobicContact CB-CE2 3.95Å; F56-F58 HydrophobicContact CB-CZ 4.48Å; F56-F58 WeakPolarHBondContact O-CD2 3.43Å; F58-V65 HydrophobicContact CE1-CG1 4.42Å; F58-V65 HydrophobicContact CE1-CG2 4.35Å; F58-L189 HydrophobicContact CZ-CD2 4.05Å; F58-L189 HydrophobicContact CZ-CG 4.32Å; F58-F199 HydrophobicContact CB-CD1 4.24Å; F58-F199 WeakPolarHBondContact CB-O 3.48Å; F58-F199 HydrophobicContact CD2-CD1 4.47Å; F58-F199 HydrophobicContact CG-CD1 4.45Å; F58-K200 WeakPolarHBondContact O-CA 3.18Å; F58-G201 PolarHBondContact N-O 3.45Å; F58-G201 PolarHBondContact O-N 3.14Å; F58-M203 HydrophobicContact CD2-CG 4.36Å; F58-M203 HydrophobicContact CE2-CB 4Å; F58-M203 HydrophobicContact CE2-CG 4.11Å; F58-M203 HydrophobicContact CE2-SD 4.31Å
59Q85.4Confident85.4Confident85 Ų8563 Ų6340%0.39734%0.341SS..  trans-134.6164.7-177.560.7-179.723.800111.6G42 H57G42-Q59 WeakPolarHBondContact CA-O 3.14Å; G42-Q59 WeakPolarHBondContact O-CG 3.01Å; G42-Q59 PolarHBondContact O-N 3.2Å; G42-Q59 VanDerWaalsContact O-O 3.05Å; H57-Q59 PolarHBondContact CE1-OE1 3.22Å; H57-Q59 VanDerWaalsContact CE1-OE1 3.27Å; H57-Q59 PolarHBondContact ND1-OE1 2.86Å; H57-Q59 VanDerWaalsContact ND1-OE1 3.13Å
60G75.7Confident85.3Confident43 Ų4362.8 Ų62.844%0.44335%0.345SS..SBendtrans88172.9179.400000114.6
61S68.6Low85.4Confident85 Ų8560.5 Ų60.559%0.59434%0.335SS*.SBendtrans-110.80.8-175.255.10000113.9F198S61-F198 WeakPolarHBondContact O-CE2 3.3Å
62S72.9Confident85.6Confident92 Ų9255 Ų5564%0.64330%0.297SS*.  trans-145.9122.3176.2175.40000108.4
63R84.4Confident85.9Confident8 Ų848.8 Ų48.83%0.0327%0.268CS..  trans-162.9158.4176.251.1168.5-170.5-961.4110D41 G190 Q191 F198 F199D41-R63 VanDerWaalsContact O-CB 3.28Å; D41-R63 WeakPolarHBondContact O-CB 3.47Å; R63-G190 PolarHBondContact NH2-O 2.9Å; R63-Q191 VanDerWaalsContact CG-OE1 3.26Å; R63-Q191 PolarHBondContact O-NE2 3.18Å; R63-Q191 PolarHBondContact O-OE1 2.83Å; R63-F198 HydrophobicContact CG-CD1 3.8Å; R63-F198 HydrophobicContact CG-CE1 3.76Å; R63-F198 VanDerWaalsContact NH2-C 3.3Å; R63-F199 PolarHBondContact NH1-O 2.89Å; R63-F199 PolarHBondContact NH2-O 2.99Å
64E84.3Confident86Confident114 Ų11452.3 Ų52.353%0.53328%0.275SS..  trans-13068-178.5-164176.4-173.900110.7F40 K66 W188F40-E64 VanDerWaalsContact CD1-O 3.22Å; F40-E64 WeakPolarHBondContact CD1-O 3.31Å; F40-E64 WeakPolarHBondContact CE1-O 3.03Å; E64-K66 HydrophobicContact CG-CB 4.37Å; E64-K66 PolarHBondContact O-N 3.24Å; E64-W188 HydrophobicContact CG-CH2 3.97Å; E64-W188 HydrophobicContact CG-CZ3 3.8Å
65V87.8Confident86Confident0 Ų048.1 Ų48.10%026%0.26CS..  trans-83.267.8177.9-167.80000109.9L36 F40 V43 F58 L189 Q191L36-V65 HydrophobicContact CD2-CG1 3.85Å; F40-V65 HydrophobicContact CD1-CG2 4.41Å; V43-V65 HydrophobicContact CG2-CG2 3.64Å; F58-V65 HydrophobicContact CE1-CG1 4.42Å; F58-V65 HydrophobicContact CE1-CG2 4.35Å; V65-L189 WeakPolarHBondContact CB-O 3.38Å; V65-L189 HydrophobicContact CG1-CB 4.04Å; V65-L189 PolarHBondContact O-N 3.33Å; V65-L189 VanDerWaalsContact O-N 3.12Å; V65-Q191 VanDerWaalsContact N-CD 3.31Å
66K88.6Confident85.9Confident59 Ų5948.1 Ų48.126%0.25726%0.259SS..BIsolated β-bridgetrans-103.3135.5177.2-172.2-172.2172.1-175.80109.8E64 W188E64-K66 HydrophobicContact CG-CB 4.37Å; E64-K66 PolarHBondContact O-N 3.24Å; K66-W188 HydrophobicContact CB-CD2 3.99Å; K66-W188 HydrophobicContact CB-CE3 3.72Å; K66-W188 HydrophobicContact CB-CH2 3.89Å; K66-W188 HydrophobicContact CB-CZ2 4.12Å; K66-W188 HydrophobicContact CB-CZ3 3.68Å; K66-W188 HydrophobicContact CD-CH2 3.98Å; K66-W188 HydrophobicContact CD-CZ2 3.65Å; K66-W188 HydrophobicContact CG-CD2 4.02Å; K66-W188 HydrophobicContact CG-CE3 4.27Å; K66-W188 HydrophobicContact CG-CH2 4.14Å; K66-W188 HydrophobicContact CG-CZ2 3.86Å; K66-W188 HydrophobicContact CG-CZ3 4.33Å
67A88.5Confident85.7Confident1 Ų154.3 Ų54.31%0.00829%0.288CS..PPolyproline II helixtrans-68.1135.6169.600000110.8L34 S72 F187L34-A67 HydrophobicContact CD2-CB 3.48Å; L34-A67 VanDerWaalsContact CD2-CB 3.48Å; A67-S72 WeakPolarHBondContact CB-OG 3.09Å; A67-S72 PolarHBondContact O-OG 3.12Å; A67-F187 HydrophobicContact CB-CB 3.98Å; A67-F187 HydrophobicContact CB-CD1 4.28Å; A67-F187 PolarHBondContact N-O 3.37Å
68P88.1Confident85.5Confident62 Ų6255.3 Ų55.340%0.40329%0.292SS..PPolyproline II helixtrans-52.1150.7167.2-26.235000111.4D70 V71 S72P68-D70 VanDerWaalsContact C-N 3.29Å; P68-D70 VanDerWaalsContact CB-OD1 3.24Å; P68-D70 WeakPolarHBondContact CB-OD1 3.2Å; P68-D70 PolarHBondContact O-N 2.85Å; P68-V71 HydrophobicContact CB-CB 4.35Å; P68-V71 HydrophobicContact CB-CG2 3.93Å; P68-V71 HydrophobicContact CG-CG2 3.99Å; P68-V71 PolarHBondContact O-N 2.81Å; P68-V71 VanDerWaalsContact O-N 3.12Å; P68-S72 WeakPolarHBondContact O-CB 3.09Å; P68-S72 PolarHBondContact O-N 2.96Å; P68-S72 PolarHBondContact O-OG 3.08Å
69E85.8Confident85.4Confident153 Ų15355.3 Ų55.372%0.71529%0.292SS*.Hα-helixtrans-59.3-39.8-175.3-69.4175.1179.700112.2V71 S72 E73E69-V71 VanDerWaalsContact C-N 3.35Å; E69-V71 PolarHBondContact O-N 3.26Å; E69-S72 PolarHBondContact O-N 3.47Å; E69-E73 PolarHBondContact O-N 3.34Å
70D86.6Confident85.5Confident96 Ų9654.2 Ų54.251%0.51328%0.284SS..Hα-helixtrans-67.4-34.117870.3-65000112.8P68 R74P68-D70 VanDerWaalsContact C-N 3.29Å; P68-D70 VanDerWaalsContact CB-OD1 3.24Å; P68-D70 WeakPolarHBondContact CB-OD1 3.2Å; P68-D70 PolarHBondContact O-N 2.85Å; D70-R74 WeakPolarHBondContact O-CG 3.42Å; D70-R74 PolarHBondContact O-N 3.17Å; D70-R74 PolarHBondContact O-NH1 3.38Å; D70-R74 VanDerWaalsContact O-NH1 3.07Å; D70-R74 IonicContact OD2-CZ 3.25Å; D70-R74 IonicContact OD2-NH1 2.92Å; D70-R74 PolarHBondContact OD2-NH1 3.03Å; D70-R74 IonicContact OD2-NH2 2.75Å
71V88.4Confident85.9Confident10 Ų1054.9 Ų54.96%0.06129%0.291CS..Hα-helixtrans-74-44.6175.9-179.10000109.7E33 P68 E69 E73 R74 M75E33-V71 HydrophobicContact CB-CG1 3.91Å; P68-V71 HydrophobicContact CB-CB 4.35Å; P68-V71 HydrophobicContact CB-CG2 3.93Å; P68-V71 HydrophobicContact CG-CG2 3.99Å; P68-V71 PolarHBondContact O-N 2.81Å; P68-V71 VanDerWaalsContact O-N 3.12Å; E69-V71 VanDerWaalsContact C-N 3.35Å; E69-V71 PolarHBondContact O-N 3.26Å; V71-E73 PolarHBondContact O-N 2.81Å; V71-R74 VanDerWaalsContact CG2-NH2 3.31Å; V71-R74 PolarHBondContact O-N 3.39Å; V71-M75 HydrophobicContact CG1-CG 4.41Å; V71-M75 HydrophobicContact CG1-SD 3.87Å; V71-M75 WeakPolarHBondContact O-CG 3.37Å; V71-M75 PolarHBondContact O-N 2.87Å
72S89Confident86.8Confident2 Ų257 Ų571%0.01429%0.286CS..Hα-helixtrans-56.8-49.6177.8-60.30000110.8A67 P68 E69 R74 M75 L76A67-S72 WeakPolarHBondContact CB-OG 3.09Å; A67-S72 PolarHBondContact O-OG 3.12Å; P68-S72 WeakPolarHBondContact O-CB 3.09Å; P68-S72 PolarHBondContact O-N 2.96Å; P68-S72 PolarHBondContact O-OG 3.08Å; E69-S72 PolarHBondContact O-N 3.47Å; S72-R74 VanDerWaalsContact C-N 3.35Å; S72-R74 PolarHBondContact O-N 3.45Å; S72-M75 PolarHBondContact O-N 3.15Å; S72-L76 VanDerWaalsContact O-CB 3.31Å; S72-L76 WeakPolarHBondContact O-CB 3.42Å; S72-L76 WeakPolarHBondContact O-CG 3.23Å; S72-L76 PolarHBondContact O-N 2.96Å
73E88.6Confident87.4Confident48 Ų4859.5 Ų59.522%0.22428%0.282CS..Hα-helixtrans-62.7-40.5179.8-177.757.8-161.800111.6E69 V71 M75 L76 Q77 R80E69-E73 PolarHBondContact O-N 3.34Å; V71-E73 PolarHBondContact O-N 2.81Å; E73-M75 PolarHBondContact O-N 2.96Å; E73-L76 PolarHBondContact O-N 2.03Å; E73-Q77 WeakPolarHBondContact O-CB 3.29Å; E73-Q77 PolarHBondContact O-N 3.15Å; E73-R80 IonicContact OE1-CZ 3.95Å; E73-R80 IonicContact OE1-NH1 3.32Å; E73-R80 PolarHBondContact OE1-NH1 2.9Å; E73-R80 IonicContact OE1-NH2 3.93Å; E73-R80 PolarHBondContact OE1-NH2 2.75Å; E73-R80 IonicContact OE2-CZ 2.96Å; E73-R80 IonicContact OE2-NH2 3.81Å; E73-R80 PolarHBondContact OE2-NH2 2.88Å
74R87.8Confident87.6Confident111 Ų11163.4 Ų63.442%0.41930%0.3SS..Hα-helixtrans-61.9-42.3175.3-73.3-170.2-50.4-94.39.9112.9E33 D70 V71 S72E33-R74 IonicContact OE2-NH2 3.18Å; D70-R74 WeakPolarHBondContact O-CG 3.42Å; D70-R74 PolarHBondContact O-N 3.17Å; D70-R74 PolarHBondContact O-NH1 3.38Å; D70-R74 VanDerWaalsContact O-NH1 3.07Å; D70-R74 IonicContact OD2-CZ 3.25Å; D70-R74 IonicContact OD2-NH1 2.92Å; D70-R74 PolarHBondContact OD2-NH1 3.03Å; D70-R74 IonicContact OD2-NH2 2.75Å; V71-R74 VanDerWaalsContact CG2-NH2 3.31Å; V71-R74 PolarHBondContact O-N 3.39Å; S72-R74 VanDerWaalsContact C-N 3.35Å; S72-R74 PolarHBondContact O-N 3.45Å
75M88.9Confident88Confident1 Ų158 Ų581%0.00528%0.275CS..Hα-helixtrans-67.5-47.5177.9-68171.966.600110.9I28 V30 E33 V71 S72 E73 K78 F187I28-M75 WeakPolarHBondContact CD1-O 3.41Å; I28-M75 HydrophobicContact CG2-CB 4.07Å; I28-M75 HydrophobicContact CG2-CE 3.49Å; I28-M75 VanDerWaalsContact CG2-CE 3.49Å; I28-M75 HydrophobicContact CG2-CG 3.81Å; I28-M75 HydrophobicContact CG2-SD 4.39Å; V30-M75 HydrophobicContact CB-CE 4.42Å; V30-M75 HydrophobicContact CG1-CE 4.24Å; V30-M75 HydrophobicContact CG2-CE 3.97Å; E33-M75 HydrophobicContact CB-CG 4.25Å; E33-M75 HydrophobicContact CB-SD 3.88Å; E33-M75 HydrophobicContact CG-CG 4.09Å; E33-M75 HydrophobicContact CG-SD 4.32Å; V71-M75 HydrophobicContact CG1-CG 4.41Å; V71-M75 HydrophobicContact CG1-SD 3.87Å; V71-M75 WeakPolarHBondContact O-CG 3.37Å; V71-M75 PolarHBondContact O-N 2.87Å; S72-M75 PolarHBondContact O-N 3.15Å; E73-M75 PolarHBondContact O-N 2.96Å; M75-K78 WeakPolarHBondContact O-CB 3.5Å; M75-K78 PolarHBondContact O-N 3.35Å; M75-F187 HydrophobicContact CE-CD1 4.02Å; M75-F187 HydrophobicContact CE-CD2 4.04Å; M75-F187 HydrophobicContact CE-CE1 3.93Å; M75-F187 HydrophobicContact CE-CE2 3.95Å; M75-F187 HydrophobicContact CE-CG 4.1Å; M75-F187 HydrophobicContact CE-CZ 3.9Å
76L89.3Confident88.3Confident0 Ų058 Ų580%028%0.275CS..Hα-helixtrans-75.7-27.5-173.5-62.5174.5000112.2S72 E73 K78 L79 R80 I104 I181 T185S72-L76 VanDerWaalsContact O-CB 3.31Å; S72-L76 WeakPolarHBondContact O-CB 3.42Å; S72-L76 WeakPolarHBondContact O-CG 3.23Å; S72-L76 PolarHBondContact O-N 2.96Å; E73-L76 PolarHBondContact O-N 2.03Å; L76-K78 PolarHBondContact O-N 3.14Å; L76-L79 HydrophobicContact CD2-CD1 4.32Å; L76-L79 CarbonylContact O-C 3.59Å; L76-L79 PolarHBondContact O-N 2.04Å; L76-R80 PolarHBondContact O-N 3.44Å; L76-I104 HydrophobicContact CD1-CG2 4.27Å; L76-I104 HydrophobicContact CD2-CD1 3.7Å; L76-I104 HydrophobicContact CD2-CG1 4.05Å; L76-I104 HydrophobicContact CD2-CG2 3.9Å; L76-I181 HydrophobicContact CB-CG2 4.36Å; L76-I181 HydrophobicContact CD1-CG2 4.17Å; L76-I181 HydrophobicContact CD2-CD1 4.14Å; L76-T185 WeakPolarHBondContact CD1-OG1 3Å
77Q88.4Confident88.6Confident130 Ų13055.3 Ų55.361%0.60726%0.264SS*.Hα-helixtrans-57.4-34.5170.1-173.4-179.525.600112.3E73 L79E73-Q77 WeakPolarHBondContact O-CB 3.29Å; E73-Q77 PolarHBondContact O-N 3.15Å; Q77-L79 VanDerWaalsContact C-N 3.3Å; Q77-L79 PolarHBondContact O-N 3.07Å
78K87.8Confident89Confident61 Ų6155.3 Ų55.327%0.26526%0.263SS..Hα-helixtrans-69.2-27.4175.6-70.7173.4167.8-177.90112.5P24 C27 I28 M75 L76 R82P24-K78 PolarHBondContact O-NZ 3.06Å; C27-K78 PolarHBondContact O-NZ 2.91Å; I28-K78 HydrophobicContact CD1-CB 3.98Å; I28-K78 HydrophobicContact CD1-CD 4.36Å; I28-K78 HydrophobicContact CG1-CB 4.21Å; I28-K78 HydrophobicContact CG1-CD 3.69Å; M75-K78 WeakPolarHBondContact O-CB 3.5Å; M75-K78 PolarHBondContact O-N 3.35Å; L76-K78 PolarHBondContact O-N 3.14Å; K78-R82 WeakPolarHBondContact O-CG 3.03Å
79L88.1Confident89.3Confident1 Ų152.4 Ų52.41%0.00525%0.245CC..Hα-helixtrans-93.4-24.5-179.5-71.1168.6000114I28 L76 Q77 G81 R82 F85 I104 M179 I181 I208 V210I28-L79 HydrophobicContact CD1-CD1 3.85Å; I28-L79 HydrophobicContact CD1-CD2 4.39Å; I28-L79 HydrophobicContact CD1-CG 3.75Å; L76-L79 HydrophobicContact CD2-CD1 4.32Å; L76-L79 CarbonylContact O-C 3.59Å; L76-L79 PolarHBondContact O-N 2.04Å; Q77-L79 VanDerWaalsContact C-N 3.3Å; Q77-L79 PolarHBondContact O-N 3.07Å; L79-G81 PolarHBondContact O-N 2.87Å; L79-R82 WeakPolarHBondContact O-CB 3.44Å; L79-R82 WeakPolarHBondContact O-CG 3.48Å; L79-R82 PolarHBondContact O-N 2.93Å; L79-F85 HydrophobicContact CD2-CB 4.13Å; L79-F85 HydrophobicContact CD2-CG 4.25Å; L79-I104 HydrophobicContact CD1-CD1 4.36Å; L79-M179 HydrophobicContact CB-CE 4.35Å; L79-I181 HydrophobicContact CB-CD1 4.35Å; L79-I208 HydrophobicContact CD1-CD1 4.06Å; L79-I208 HydrophobicContact CD1-CG2 4.19Å; L79-I208 HydrophobicContact CD2-CG2 3.71Å; L79-I208 HydrophobicContact CG-CG2 4.48Å; L79-V210 HydrophobicContact CD2-CG2 4.13Å
80R88.8Confident89.8Confident61 Ų6145.2 Ų45.223%0.2321%0.211CC..THydrogen-bonded Turntrans-56.8124.6-175.6-165.3178.7-76.9141.76.7111.2E73 L76 R82 M179 I181 P182E73-R80 IonicContact OE1-CZ 3.95Å; E73-R80 IonicContact OE1-NH1 3.32Å; E73-R80 PolarHBondContact OE1-NH1 2.9Å; E73-R80 IonicContact OE1-NH2 3.93Å; E73-R80 PolarHBondContact OE1-NH2 2.75Å; E73-R80 IonicContact OE2-CZ 2.96Å; E73-R80 IonicContact OE2-NH2 3.81Å; E73-R80 PolarHBondContact OE2-NH2 2.88Å; L76-R80 PolarHBondContact O-N 3.44Å; R80-R82 PolarHBondContact O-N 2.89Å; R80-M179 CarbonylContact C-O 3.55Å; R80-M179 WeakPolarHBondContact CA-O 3.44Å; R80-I181 PolarHBondContact NE-O 3.48Å; R80-I181 PolarHBondContact NH2-O 3.14Å; R80-P182 PolarHBondContact NH2-O 2.72Å
81G82.5Confident90.3Very high57 Ų5740.7 Ų40.759%0.58819%0.187SC*.THydrogen-bonded Turntrans74.51.8179.800000115.8L79 M179L79-G81 PolarHBondContact O-N 2.87Å; G81-M179 PolarHBondContact N-O 3.41Å
82R87.5Confident90.6Very high130 Ų13044 Ų4449%0.49120%0.2SC..  trans-83.6139178-57.8-66.2-175.3176.80110.5K78 L79 R80 M179 V210K78-R82 WeakPolarHBondContact O-CG 3.03Å; L79-R82 WeakPolarHBondContact O-CB 3.44Å; L79-R82 WeakPolarHBondContact O-CG 3.48Å; L79-R82 PolarHBondContact O-N 2.93Å; R80-R82 PolarHBondContact O-N 2.89Å; R82-M179 VanDerWaalsContact O-CB 3.27Å; R82-M179 WeakPolarHBondContact O-CB 3.11Å; R82-M179 VanDerWaalsContact O-CG 3.31Å; R82-M179 WeakPolarHBondContact O-CG 3.38Å; R82-V210 HydrophobicContact CB-CG1 4.03Å; R82-V210 HydrophobicContact CG-CG1 3.61Å
83R85.6Confident90.9Very high145 Ų14543.9 Ų43.955%0.54720%0.2SC..SBendtrans-106.3-5179.9-60.1-178.5-174.5173.44.4113.2A157 I176R83-A157 PolarHBondContact O-N 3.21Å; R83-I176 HydrophobicContact CG-CG2 4.39Å
84E90.1Very high91Very high89 Ų8945.6 Ų45.642%0.41621%0.207SC..EExtended strand (participates in β ladder)trans-136.4119.7-174.9-58.8178.6176.700108.7V155 P212E84-V155 VanDerWaalsContact CA-O 3.25Å; E84-V155 WeakPolarHBondContact CA-O 3.35Å; E84-P212 HydrophobicContact CB-CB 4.21Å; E84-P212 HydrophobicContact CB-CG 4.16Å; E84-P212 HydrophobicContact CG-CG 4.44Å; E84-P212 WeakPolarHBondContact OE2-CD 3.32Å; E84-P212 WeakPolarHBondContact OE2-CG 3.13Å
85F92.9Very high90.9Very high1 Ų146.1 Ų46.10%0.00422%0.215CC..EExtended strand (participates in β ladder)trans-160.2156.7177.362-89.1000109.6L79 V87 L112 V155 M179 I208 L209L79-F85 HydrophobicContact CD2-CB 4.13Å; L79-F85 HydrophobicContact CD2-CG 4.25Å; F85-V87 HydrophobicContact CD2-CG2 4.31Å; F85-V87 HydrophobicContact CE2-CG2 4.24Å; F85-L112 HydrophobicContact CE2-CD1 4.28Å; F85-L112 HydrophobicContact CE2-CD2 3.56Å; F85-L112 HydrophobicContact CZ-CD1 4.03Å; F85-L112 HydrophobicContact CZ-CD2 3.77Å; F85-V155 HydrophobicContact CD1-CB 4.36Å; F85-V155 HydrophobicContact CD2-CG2 4.4Å; F85-V155 HydrophobicContact CE1-CB 4.05Å; F85-V155 HydrophobicContact CE1-CG1 4.08Å; F85-V155 HydrophobicContact CE1-CG2 4.34Å; F85-V155 HydrophobicContact CE2-CB 4.21Å; F85-V155 HydrophobicContact CE2-CG2 3.78Å; F85-V155 HydrophobicContact CZ-CB 3.98Å; F85-V155 HydrophobicContact CZ-CG1 4.24Å; F85-V155 HydrophobicContact CZ-CG2 3.74Å; F85-V155 PolarHBondContact N-O 3.18Å; F85-V155 PolarHBondContact O-N 3.1Å; F85-M179 HydrophobicContact CD1-CE 4.38Å; F85-M179 HydrophobicContact CE1-CE 3.76Å; F85-M179 HydrophobicContact CE1-CG 3.89Å; F85-M179 HydrophobicContact CE1-SD 3.87Å; F85-M179 HydrophobicContact CZ-CE 3.94Å; F85-M179 HydrophobicContact CZ-SD 4.1Å; F85-I208 HydrophobicContact CD2-CG2 4.29Å; F85-L209 CarbonylContact C-O 3.51Å; F85-L209 WeakPolarHBondContact CA-O 3.44Å; F85-L209 WeakPolarHBondContact CB-O 3.43Å
86T93.8Very high90.5Very high0 Ų052.8 Ų52.80%024%0.244CC..EExtended strand (participates in β ladder)trans-125.5126.1176-560000109.1V88 V153 A154 L209 M211 P212 G214T86-V88 HydrophobicContact CG2-CG2 3.79Å; T86-V153 CarbonylContact C-O 3.39Å; T86-V153 VanDerWaalsContact CA-O 3.31Å; T86-V153 WeakPolarHBondContact CA-O 2.99Å; T86-A154 HydrophobicContact CG2-CB 4.03Å; T86-L209 PolarHBondContact N-O 3.27Å; T86-L209 PolarHBondContact O-N 2.82Å; T86-M211 PolarHBondContact N-O 2.03Å; T86-M211 PolarHBondContact OG1-O 2.97Å; T86-P212 PolarHBondContact OG1-O 2.92Å; T86-P212 VanDerWaalsContact OG1-O 3.1Å; T86-G214 PolarHBondContact OG1-N 3.11Å
87V95.3Very high90.5Very high3 Ų352.9 Ų52.92%0.01824%0.244CC..EExtended strand (participates in β ladder)trans-86.9130.9168.2178.80000108F85 L102 L114 S152 V153 I208F85-V87 HydrophobicContact CD2-CG2 4.31Å; F85-V87 HydrophobicContact CE2-CG2 4.24Å; V87-L102 HydrophobicContact CG1-CD2 3.52Å; V87-L102 HydrophobicContact CG2-CD2 4.46Å; V87-L114 HydrophobicContact CG1-CD2 4.01Å; V87-S152 CarbonylContact O-C 3.54Å; V87-S152 WeakPolarHBondContact O-CA 3.33Å; V87-V153 HydrophobicContact CB-CB 4.46Å; V87-V153 PolarHBondContact N-O 3.41Å; V87-V153 PolarHBondContact O-N 2.8Å; V87-I208 HydrophobicContact CG2-CG1 4.45Å; V87-I208 HydrophobicContact CG2-CG2 4.49Å
88V95.1Very high90.6Very high1 Ų146.9 Ų46.91%0.00622%0.217CC..EExtended strand (participates in β ladder)trans-129.5128-174.3179.40000107.9T86 V206 Q207 L209 Q218T86-V88 HydrophobicContact CG2-CG2 3.79Å; V88-V206 WeakPolarHBondContact O-CA 3.46Å; V88-Q207 HydrophobicContact CB-CB 4.42Å; V88-Q207 PolarHBondContact N-O 3.34Å; V88-Q207 PolarHBondContact O-N 3.32Å; V88-L209 HydrophobicContact CG2-CD1 3.94Å; V88-L209 HydrophobicContact CG2-CG 4.41Å; V88-Q218 HydrophobicContact CG1-CB 4.34Å; V88-Q218 HydrophobicContact CG1-CG 3.35Å
89V95.8Very high90.7Very high1 Ų144 Ų441%0.00621%0.205CC..EExtended strand (participates in β ladder)trans-149.4139.417958.80000110.8L91 I101 V151 M203 V206 Q218V89-L91 HydrophobicContact CG1-CD2 3.98Å; V89-L91 HydrophobicContact CG2-CB 4.13Å; V89-L91 HydrophobicContact CG2-CD2 4.07Å; V89-L91 HydrophobicContact CG2-CG 4.48Å; V89-I101 HydrophobicContact CB-CG2 4.46Å; V89-I101 HydrophobicContact CG1-CG2 4.23Å; V89-I101 HydrophobicContact CG2-CG2 4.19Å; V89-V151 HydrophobicContact CG1-CB 3.83Å; V89-V151 HydrophobicContact CG1-CG1 4.49Å; V89-V151 PolarHBondContact N-O 2.95Å; V89-V151 PolarHBondContact O-N 2.98Å; V89-V151 VanDerWaalsContact O-O 3.07Å; V89-M203 HydrophobicContact CG2-SD 4.45Å; V89-V206 HydrophobicContact CG2-CG2 3.87Å; V89-Q218 PolarHBondContact O-NE2 2.77Å
90T95.7Very high90.9Very high2 Ų244 Ų441%0.01221%0.205CC..EExtended strand (participates in β ladder)trans-106.8118.8167.3-52.90000107.1F49 W148 H149 K150 M203 Q204 D205 Q218F49-T90 HydrophobicContact CB-CG2 4.04Å; F49-T90 HydrophobicContact CD1-CG2 4.44Å; F49-T90 HydrophobicContact CG-CG2 4.2Å; T90-W148 HydrophobicContact CG2-CE3 4.04Å; T90-W148 HydrophobicContact CG2-CZ3 4.26Å; T90-H149 CarbonylContact C-O 3.49Å; T90-H149 WeakPolarHBondContact CA-O 3.27Å; T90-K150 HydrophobicContact CG2-CG 4.3Å; T90-M203 CarbonylContact O-C 3.5Å; T90-M203 WeakPolarHBondContact O-CA 3.32Å; T90-Q204 WeakPolarHBondContact CA-O 3.08Å; T90-Q204 WeakPolarHBondContact CB-O 2.98Å; T90-Q204 PolarHBondContact N-O 3.46Å; T90-Q204 PolarHBondContact O-N 2.89Å; T90-D205 PolarHBondContact OG1-OD2 3.4Å; T90-Q218 PolarHBondContact OG1-NE2 3.29Å
91L96.3Very high91.2Very high0 Ų041.1 Ų41.10%019%0.194CC..EExtended strand (participates in β ladder)trans-136.8157.4-173.962.481.3000112.8V89 Q93 I101 L143 W148 H149 V151 F199 V202 M203V89-L91 HydrophobicContact CG1-CD2 3.98Å; V89-L91 HydrophobicContact CG2-CB 4.13Å; V89-L91 HydrophobicContact CG2-CD2 4.07Å; V89-L91 HydrophobicContact CG2-CG 4.48Å; L91-Q93 HydrophobicContact CD1-CB 4.25Å; L91-I101 HydrophobicContact CD2-CD1 3.4Å; L91-I101 HydrophobicContact CD2-CG1 3.99Å; L91-L143 HydrophobicContact CD1-CB 4.3Å; L91-W148 WeakPolarHBondContact O-CA 3.22Å; L91-H149 PolarHBondContact N-O 3.28Å; L91-H149 PolarHBondContact O-N 2.96Å; L91-V151 HydrophobicContact CD2-CG2 4.44Å; L91-V151 HydrophobicContact CG-CG2 4.45Å; L91-F199 HydrophobicContact CB-CZ 4.12Å; L91-F199 HydrophobicContact CD2-CE2 4.36Å; L91-V202 CarbonylContact C-O 3.59Å; L91-V202 VanDerWaalsContact CA-O 3.3Å; L91-V202 WeakPolarHBondContact CA-O 3.2Å; L91-M203 HydrophobicContact CB-CG 4.21Å
92K96.2Very high91.8Very high79 Ų7938.5 Ų38.534%0.34317%0.166SC..EExtended strand (participates in β ladder)trans-133.5103.3169.4177.5-178-168.6-174.60107.8G146 Q147 W148 G201 V202K92-G146 WeakPolarHBondContact CE-O 3Å; K92-Q147 VanDerWaalsContact CA-O 3.32Å; K92-Q147 WeakPolarHBondContact CA-O 3.48Å; K92-Q147 WeakPolarHBondContact CG-O 3.39Å; K92-W148 HydrophobicContact CB-CD2 3.69Å; K92-W148 HydrophobicContact CB-CE3 3.71Å; K92-W148 HydrophobicContact CB-CG 4.19Å; K92-W148 HydrophobicContact CB-CH2 4.4Å; K92-W148 HydrophobicContact CB-CZ2 4.36Å; K92-W148 HydrophobicContact CB-CZ3 4.08Å; K92-W148 HydrophobicContact CD-CD2 4.29Å; K92-W148 HydrophobicContact CD-CG 4.4Å; K92-W148 HydrophobicContact CD-CZ2 4.45Å; K92-W148 HydrophobicContact CG-CD2 4.47Å; K92-G201 CarbonylContact O-C 3.53Å; K92-G201 WeakPolarHBondContact O-CA 3.22Å; K92-V202 HydrophobicContact CB-CB 4.41Å; K92-V202 PolarHBondContact N-O 3.29Å; K92-V202 PolarHBondContact O-N 2.78Å
93Q95.1Very high92.1Very high1 Ų132.3 Ų32.31%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-94.6143.3-174.5-172171.816.500111.3L91 N97 S116 A144 G146 F199L91-Q93 HydrophobicContact CD1-CB 4.25Å; Q93-N97 HydrophobicContact CG-CB 4.19Å; Q93-N97 PolarHBondContact NE2-O 3.39Å; Q93-N97 PolarHBondContact NE2-OD1 2.97Å; Q93-N97 VanDerWaalsContact NE2-OD1 3.14Å; Q93-S116 VanDerWaalsContact OE1-CB 3.24Å; Q93-S116 PolarHBondContact OE1-OG 2.88Å; Q93-A144 HydrophobicContact CB-CB 4.47Å; Q93-A144 HydrophobicContact CG-CB 4.06Å; Q93-G146 VanDerWaalsContact O-CA 3.26Å; Q93-G146 WeakPolarHBondContact O-CA 2.99Å; Q93-G146 PolarHBondContact O-N 2.95Å; Q93-G146 VanDerWaalsContact O-N 3.13Å; Q93-F199 HydrophobicContact CB-CE2 3.78Å; Q93-F199 HydrophobicContact CB-CZ 3.92Å; Q93-F199 HydrophobicContact CG-CD2 4.25Å; Q93-F199 HydrophobicContact CG-CE2 3.67Å; Q93-F199 HydrophobicContact CG-CZ 4.14Å
94E90.7Very high92.4Very high83 Ų8325.4 Ų25.439%0.38812%0.117SC..PPolyproline II helixtrans-62.5149.7173.8-71.5-175.7176.100111.5F96 N97 A144 K200E94-F96 PolarHBondContact O-N 3.46Å; E94-N97 HydrophobicContact CB-CB 4.15Å; E94-N97 WeakPolarHBondContact O-CB 3.01Å; E94-N97 PolarHBondContact O-N 2.02Å; E94-A144 WeakPolarHBondContact O-CB 3.15Å; E94-K200 HydrophobicContact CB-CB 4.27Å; E94-K200 HydrophobicContact CG-CB 4.07Å; E94-K200 PolarHBondContact N-O 2.8Å; E94-K200 WeakPolarHBondContact OE2-CB 3.47Å
95H86.2Confident92.2Very high123 Ų12322.6 Ų22.657%0.56910%0.103SC*.THydrogen-bonded Turntrans-58.7134.4-177.7-71.871000111.6N97 A144 D145H95-N97 PolarHBondContact O-N 2.85Å; H95-A144 VanDerWaalsContact CA-O 3.32Å; H95-A144 WeakPolarHBondContact CA-O 3.48Å; H95-D145 VanDerWaalsContact CE1-C 3.43Å; H95-D145 PolarHBondContact CE1-O 2.86Å; H95-D145 PolarHBondContact NE2-O 3.05Å
96F80.5Confident91.8Very high141 Ų14125.3 Ų25.362%0.61812%0.116SC*.THydrogen-bonded Turntrans5910.3179.7-52.2-71.8000115.4E94 S98 A144E94-F96 PolarHBondContact O-N 3.46Å; F96-S98 PolarHBondContact O-N 3.45Å; F96-A144 PolarHBondContact N-O 3.35Å
97N88.7Confident91.1Very high1 Ų129.6 Ų29.61%0.00515%0.146CC..  trans-73.6129.4176.5171.9-115.6000110.6Q93 E94 H95 G118 F198 K200 Q727Q93-N97 HydrophobicContact CG-CB 4.19Å; Q93-N97 PolarHBondContact NE2-O 3.39Å; Q93-N97 PolarHBondContact NE2-OD1 2.97Å; Q93-N97 VanDerWaalsContact NE2-OD1 3.14Å; E94-N97 HydrophobicContact CB-CB 4.15Å; E94-N97 WeakPolarHBondContact O-CB 3.01Å; E94-N97 PolarHBondContact O-N 2.02Å; H95-N97 PolarHBondContact O-N 2.85Å; N97-G118 WeakPolarHBondContact O-CA 3.07Å; N97-G118 PolarHBondContact O-N 3.45Å; N97-F198 PolarHBondContact ND2-O 2.83Å; N97-K200 HydrophobicContact CB-CB 4.45Å; N97-K200 PolarHBondContact OD1-N 2.77Å; N97-Q727 VanDerWaalsContact CA-OE1 3.27Å; N97-Q727 PolarHBondContact ND2-OE1 2.98Å
98S89.9Confident90Very high5 Ų536.7 Ų36.74%0.03518%0.179CC..EExtended strand (participates in β ladder)trans-102123.9167.7-62.40000109F96 S116 S117 G118 Q119 D729F96-S98 PolarHBondContact O-N 3.45Å; S98-S116 CarbonylContact C-O 3.5Å; S98-S116 WeakPolarHBondContact CA-O 3.07Å; S98-S117 WeakPolarHBondContact OG-CA 3.27Å; S98-S117 PolarHBondContact OG-OG 2.05Å; S98-G118 PolarHBondContact OG-N 3.2Å; S98-Q119 PolarHBondContact OG-N 2.96Å; S98-D729 WeakPolarHBondContact CB-OD2 3.42Å; S98-D729 PolarHBondContact OG-OD2 3.18Å
99G90.3Very high89.2Confident1 Ų140.8 Ų40.81%0.0120%0.198CC..EExtended strand (participates in β ladder)trans-161.2150.7-170.400000114S116G99-S116 PolarHBondContact N-O 2.88Å; G99-S116 PolarHBondContact O-N 3.32Å
100V92.8Very high88.7Confident1 Ų143.2 Ų43.21%0.00621%0.207CC..EExtended strand (participates in β ladder)trans-88.3127.3-179.7175.30000109.5L102 E113 E115 G190 Q191 R192 G197 F199V100-L102 WeakPolarHBondContact CG1-O 3.46Å; V100-E113 HydrophobicContact CG1-CG 3.85Å; V100-E113 HydrophobicContact CG2-CG 4.45Å; V100-E115 HydrophobicContact CG2-CB 4.28Å; V100-E115 HydrophobicContact CG2-CG 4.09Å; V100-G190 CarbonylContact O-C 3.45Å; V100-G190 WeakPolarHBondContact O-CA 3.4Å; V100-Q191 PolarHBondContact O-N 3.37Å; V100-R192 HydrophobicContact CG2-CB 4.11Å; V100-G197 PolarHBondContact N-O 2.87Å; V100-F199 WeakPolarHBondContact O-CB 3.16Å
101I95.1Very high88.3Confident0 Ų043.4 Ų43.40%021%0.208CC..EExtended strand (participates in β ladder)trans-76.5-52.2177.8-63170000109.2V89 L91 L114 L189 G190 F199 M203V89-I101 HydrophobicContact CB-CG2 4.46Å; V89-I101 HydrophobicContact CG1-CG2 4.23Å; V89-I101 HydrophobicContact CG2-CG2 4.19Å; L91-I101 HydrophobicContact CD2-CD1 3.4Å; L91-I101 HydrophobicContact CD2-CG1 3.99Å; I101-L114 HydrophobicContact CB-CD2 4.41Å; I101-L114 HydrophobicContact CB-CG 4.42Å; I101-L114 HydrophobicContact CD1-CD2 4.03Å; I101-L114 HydrophobicContact CD1-CG 4.11Å; I101-L114 HydrophobicContact CG2-CD2 4.47Å; I101-L114 PolarHBondContact N-O 3.45Å; I101-L189 WeakPolarHBondContact O-CD1 3.42Å; I101-G190 PolarHBondContact O-N 3Å; I101-F199 HydrophobicContact CG1-CD2 4.39Å; I101-M203 HydrophobicContact CB-CE 4.42Å; I101-M203 HydrophobicContact CG2-CE 4.2Å; I101-M203 HydrophobicContact CG2-SD 4.13Å
102L94.9Very high88.1Confident1 Ų143.5 Ų43.51%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-147.3150.2172.668.486.1000110.5V87 V100 E113 L114 F187 W188 L189 I208V87-L102 HydrophobicContact CG1-CD2 3.52Å; V87-L102 HydrophobicContact CG2-CD2 4.46Å; V100-L102 WeakPolarHBondContact CG1-O 3.46Å; L102-E113 WeakPolarHBondContact O-CA 3.33Å; L102-L114 HydrophobicContact CG-CB 4.33Å; L102-L114 PolarHBondContact N-O 3.09Å; L102-L114 PolarHBondContact O-N 2.85Å; L102-F187 HydrophobicContact CB-CZ 4.23Å; L102-W188 WeakPolarHBondContact CA-O 3.38Å; L102-L189 HydrophobicContact CB-CD1 4.39Å; L102-I208 HydrophobicContact CD2-CD1 4.38Å
103S93.3Very high88Confident0 Ų039.8 Ų39.80%019%0.192CC..EExtended strand (participates in β ladder)trans-140.2134.4176.4-164.40000111E113 W188S103-E113 WeakPolarHBondContact CB-OE2 3.4Å; S103-E113 PolarHBondContact OG-OE2 3.38Å; S103-W188 PolarHBondContact N-O 3.06Å; S103-W188 PolarHBondContact O-N 3.09Å
104I91.8Very high88Confident0 Ų039.8 Ų39.80%019%0.192CC..EExtended strand (participates in β ladder)trans-117.7111.4171.1-61.6165.2000106.9L76 L79 F111 L112 I181 F187L76-I104 HydrophobicContact CD1-CG2 4.27Å; L76-I104 HydrophobicContact CD2-CD1 3.7Å; L76-I104 HydrophobicContact CD2-CG1 4.05Å; L76-I104 HydrophobicContact CD2-CG2 3.9Å; L79-I104 HydrophobicContact CD1-CD1 4.36Å; I104-F111 HydrophobicContact CG2-CB 4.36Å; I104-F111 PolarHBondContact O-N 2.85Å; I104-L112 HydrophobicContact CB-CB 4.46Å; I104-L112 HydrophobicContact CD1-CB 4.29Å; I104-L112 HydrophobicContact CD1-CD2 4.23Å; I104-L112 PolarHBondContact N-O 2.88Å; I104-L112 PolarHBondContact O-N 3.27Å; I104-I181 HydrophobicContact CG2-CD1 4.5Å; I104-I181 HydrophobicContact CG2-CG2 4.47Å; I104-F187 HydrophobicContact CD1-CD2 4.14Å; I104-F187 HydrophobicContact CD1-CE2 4.3Å; I104-F187 HydrophobicContact CG1-CD2 3.67Å; I104-F187 HydrophobicContact CG1-CE2 4.11Å
105H86.7Confident88.2Confident30 Ų3036.2 Ų36.214%0.13918%0.176CC..EExtended strand (participates in β ladder)trans-141.1154.1179.975.495.3000112.1S107 Q109 R110 T186 W188 R192H105-S107 PolarHBondContact ND1-O 3.29Å; H105-Q109 WeakPolarHBondContact CA-O 3.42Å; H105-Q109 VanDerWaalsContact CB-O 3.3Å; H105-Q109 WeakPolarHBondContact CB-O 3.38Å; H105-R110 HydrophobicContact CB-CG 4.33Å; H105-T186 PolarHBondContact N-O 2.87Å; H105-T186 PolarHBondContact O-N 3.31Å; H105-T186 PolarHBondContact O-OG1 3.22Å; H105-W188 AromaticContact CD2-CD1 3.47Å; H105-W188 VanDerWaalsContact CD2-CD1 3.47Å; H105-W188 AromaticContact CD2-NE1 3.66Å; H105-W188 AromaticContact CE1-NE1 3.75Å; H105-W188 AromaticContact NE2-CD1 3.17Å; H105-W188 AromaticContact NE2-CE2 3.76Å; H105-W188 AromaticContact NE2-NE1 2.87Å; H105-W188 PolarHBondContact NE2-NE1 3.24Å; H105-R192 PolarHBondContact NE2-O 2.93Å
106H84.5Confident88.6Confident59 Ų5930.4 Ų30.427%0.27315%0.148SC..EExtended strand (participates in β ladder)trans-125.3116.9173.7178.3-124.5000108.1E108 Q109 F111 D184 T185H106-E108 PolarHBondContact O-N 2.02Å; H106-Q109 PolarHBondContact N-O 2.02Å; H106-Q109 PolarHBondContact O-N 3.2Å; H106-F111 HydrophobicContact CB-CD2 4.46Å; H106-F111 HydrophobicContact CB-CE2 3.84Å; H106-D184 PolarHBondContact CD2-O 3.43Å; H106-T185 HydrophobicContact CB-CG2 3.66Å
107S77.8Confident89.1Confident89 Ų8923.7 Ų23.762%0.62212%0.119SC*.THydrogen-bonded Turntrans50.7-127.1-169.4-175.70000109.4H105 Q109H105-S107 PolarHBondContact ND1-O 3.29Å; S107-Q109 VanDerWaalsContact C-N 3.33Å
108E72.1Confident89Confident152 Ų15223.7 Ų23.771%0.7112%0.119SC*.THydrogen-bonded Turntrans-82.9-3.4179.4-58.3-55.7134.900114.2H106H106-E108 PolarHBondContact O-N 2.02Å
109Q78.4Confident88.6Confident88 Ų8826 Ų2641%0.41113%0.129SC..EExtended strand (participates in β ladder)trans-96.9114.6-173.8-63.9-174-11.100112.3H105 H106 S107 F111H105-Q109 WeakPolarHBondContact CA-O 3.42Å; H105-Q109 VanDerWaalsContact CB-O 3.3Å; H105-Q109 WeakPolarHBondContact CB-O 3.38Å; H106-Q109 PolarHBondContact N-O 2.02Å; H106-Q109 PolarHBondContact O-N 3.2Å; S107-Q109 VanDerWaalsContact C-N 3.33Å; Q109-F111 HydrophobicContact CB-CE2 4.32Å
110R85.3Confident88.3Confident52 Ų5230.6 Ų30.620%0.19615%0.146CC..EExtended strand (participates in β ladder)trans-83.4117.5174.2-62.8179.1-75173.1-8.2110.7H105 E113 R128H105-R110 HydrophobicContact CB-CG 4.33Å; R110-E113 WeakPolarHBondContact CD-OE1 3.49Å; R110-E113 IonicContact CZ-OE1 3.1Å; R110-E113 IonicContact NH1-OE1 3.8Å; R110-E113 PolarHBondContact NH1-OE1 2.82Å; R110-R128 WeakPolarHBondContact O-CD 2.91Å; R110-R128 VanDerWaalsContact O-CG 3.22Å; R110-R128 WeakPolarHBondContact O-CG 3.19Å
111F88.6Confident88Confident6 Ų634.2 Ų34.23%0.02617%0.166CC..EExtended strand (participates in β ladder)trans-89.2-43.8178.7-78.5-92000112.3I104 H106 Q109 Y127 P182I104-F111 HydrophobicContact CG2-CB 4.36Å; I104-F111 PolarHBondContact O-N 2.85Å; H106-F111 HydrophobicContact CB-CD2 4.46Å; H106-F111 HydrophobicContact CB-CE2 3.84Å; Q109-F111 HydrophobicContact CB-CE2 4.32Å; F111-Y127 WeakPolarHBondContact O-CA 3.44Å; F111-P182 HydrophobicContact CE2-CG 4.3Å; F111-P182 VanDerWaalsContact CZ-CD 3.41Å; F111-P182 HydrophobicContact CZ-CG 3.84Å
112L91.8Very high87.8Confident2 Ų236.1 Ų36.11%0.0118%0.175CC..EExtended strand (participates in β ladder)trans-149.9124.4176.9-176.369.7000108.3F85 I104 L125 H126 M179F85-L112 HydrophobicContact CE2-CD1 4.28Å; F85-L112 HydrophobicContact CE2-CD2 3.56Å; F85-L112 HydrophobicContact CZ-CD1 4.03Å; F85-L112 HydrophobicContact CZ-CD2 3.77Å; I104-L112 HydrophobicContact CB-CB 4.46Å; I104-L112 HydrophobicContact CD1-CB 4.29Å; I104-L112 HydrophobicContact CD1-CD2 4.23Å; I104-L112 PolarHBondContact N-O 2.88Å; I104-L112 PolarHBondContact O-N 3.27Å; L112-L125 HydrophobicContact CD1-CD1 3.94Å; L112-H126 WeakPolarHBondContact CA-O 3.47Å; L112-M179 HydrophobicContact CD2-CE 4.24Å
113E93.4Very high87.7Confident0 Ų036.1 Ų36.10%018%0.175CC..EExtended strand (participates in β ladder)trans-143.5131.1176.8174.6177.185.100109.6V100 L102 S103 R110 H126 R192V100-E113 HydrophobicContact CG1-CG 3.85Å; V100-E113 HydrophobicContact CG2-CG 4.45Å; L102-E113 WeakPolarHBondContact O-CA 3.33Å; S103-E113 WeakPolarHBondContact CB-OE2 3.4Å; S103-E113 PolarHBondContact OG-OE2 3.38Å; R110-E113 WeakPolarHBondContact CD-OE1 3.49Å; R110-E113 IonicContact CZ-OE1 3.1Å; R110-E113 IonicContact NH1-OE1 3.8Å; R110-E113 PolarHBondContact NH1-OE1 2.82Å; E113-H126 HydrophobicContact CB-CB 4.06Å; E113-H126 PolarHBondContact N-O 2.9Å; E113-H126 PolarHBondContact O-N 2.98Å; E113-H126 IonicContact OE1-CD2 3.64Å; E113-H126 PolarHBondContact OE1-CD2 2.82Å; E113-H126 IonicContact OE1-NE2 2.76Å; E113-R192 IonicContact OE1-CZ 3.9Å; E113-R192 IonicContact OE1-NE 3.43Å; E113-R192 PolarHBondContact OE1-NE 2.75Å; E113-R192 IonicContact OE1-NH2 2.68Å; E113-R192 PolarHBondContact OE1-NH2 2.91Å; E113-R192 WeakPolarHBondContact OE2-CG 3.47Å; E113-R192 IonicContact OE2-CZ 2.73Å; E113-R192 IonicContact OE2-NE 3.98Å; E113-R192 PolarHBondContact OE2-NE 3.15Å; E113-R192 IonicContact OE2-NH2 3.27Å
114L95.4Very high87.7Confident2 Ų236.1 Ų36.11%0.0118%0.175CC..EExtended strand (participates in β ladder)trans-111117.7175-178.365000108.4V87 I101 L102 V123 L125 V153V87-L114 HydrophobicContact CG1-CD2 4.01Å; I101-L114 HydrophobicContact CB-CD2 4.41Å; I101-L114 HydrophobicContact CB-CG 4.42Å; I101-L114 HydrophobicContact CD1-CD2 4.03Å; I101-L114 HydrophobicContact CD1-CG 4.11Å; I101-L114 HydrophobicContact CG2-CD2 4.47Å; I101-L114 PolarHBondContact N-O 3.45Å; L102-L114 HydrophobicContact CG-CB 4.33Å; L102-L114 PolarHBondContact N-O 3.09Å; L102-L114 PolarHBondContact O-N 2.85Å; L114-V123 HydrophobicContact CD1-CG1 3.91Å; L114-L125 HydrophobicContact CB-CD1 4.45Å; L114-L125 HydrophobicContact CD1-CD1 4.17Å; L114-V153 HydrophobicContact CD1-CG2 3.91Å; L114-V153 HydrophobicContact CD2-CG2 4.08Å
115E94.6Very high87.8Confident8 Ų836.2 Ų36.24%0.03718%0.175CC..EExtended strand (participates in β ladder)trans-121.4145.1-176.2-177.3-174.2132.900110.2V100 R124 H126 R192V100-E115 HydrophobicContact CG2-CB 4.28Å; V100-E115 HydrophobicContact CG2-CG 4.09Å; E115-R124 HydrophobicContact CB-CB 4.31Å; E115-R124 PolarHBondContact N-O 3.25Å; E115-R124 PolarHBondContact O-N 2.82Å; E115-R124 IonicContact OE1-NH1 3.72Å; E115-R124 PolarHBondContact OE1-NH1 3.01Å; E115-R124 VanDerWaalsContact OE1-NH1 3.1Å; E115-H126 IonicContact OE2-NE2 3.64Å; E115-R192 IonicContact OE2-CZ 2.72Å; E115-R192 IonicContact OE2-NH2 3.05Å; E115-R192 PolarHBondContact OE2-NH2 2.89Å
116S94.7Very high88Confident0 Ų035.1 Ų35.10%017%0.17CC..EExtended strand (participates in β ladder)trans-118.2119.2170178.60000109.2Q93 S98 G99Q93-S116 VanDerWaalsContact OE1-CB 3.24Å; Q93-S116 PolarHBondContact OE1-OG 2.88Å; S98-S116 CarbonylContact C-O 3.5Å; S98-S116 WeakPolarHBondContact CA-O 3.07Å; G99-S116 PolarHBondContact N-O 2.88Å; G99-S116 PolarHBondContact O-N 3.32Å
117S92.2Very high88.3Confident1 Ų132.6 Ų32.61%0.00716%0.158CC..EExtended strand (participates in β ladder)trans-100.4104.7176.31700000109.6S98 Q119 R120 N121 E122 D729S98-S117 WeakPolarHBondContact OG-CA 3.27Å; S98-S117 PolarHBondContact OG-OG 2.05Å; S117-Q119 VanDerWaalsContact C-N 3.32Å; S117-R120 WeakPolarHBondContact OG-CB 3.34Å; S117-R120 PolarHBondContact OG-N 3.11Å; S117-N121 WeakPolarHBondContact O-CA 3.48Å; S117-N121 PolarHBondContact O-N 2.81Å; S117-E122 PolarHBondContact N-O 3.33Å; S117-E122 PolarHBondContact O-N 3.03Å; S117-D729 WeakPolarHBondContact CB-OD2 3.36Å; S117-D729 PolarHBondContact OG-OD2 3.06Å
118G85.7Confident88.8Confident0 Ų029.6 Ų29.60%013%0.133CC..THydrogen-bonded Turntrans-75.4-20.3174.600000113.9N97 S98 N121N97-G118 WeakPolarHBondContact O-CA 3.07Å; N97-G118 PolarHBondContact O-N 3.45Å; S98-G118 PolarHBondContact OG-N 3.2Å; G118-N121 PolarHBondContact O-OD1 3Å
119Q81.8Confident89.5Confident53 Ų5322.6 Ų22.625%0.24810%0.101CC..THydrogen-bonded Turntrans-77.1-33.2177.5-64.8-179.88.300112.4S98 S117S98-Q119 PolarHBondContact OG-N 2.96Å; S117-Q119 VanDerWaalsContact C-N 3.32Å
120R83.2Confident89.3Confident98 Ų9826 Ų2637%0.3711%0.114SC..THydrogen-bonded Turntrans-104.9-1.7-179.5-67.5173.6161.5-88.2-9.8113.7S117 E122 W731S117-R120 WeakPolarHBondContact OG-CB 3.34Å; S117-R120 PolarHBondContact OG-N 3.11Å; R120-E122 HydrophobicContact CB-CG 4.26Å; R120-W731 VanDerWaalsContact CZ-CE2 3.42Å; R120-W731 VanDerWaalsContact NH2-CD2 3.3Å
121N86.4Confident88.6Confident78 Ų7826.8 Ų26.842%0.41714%0.138SC..THydrogen-bonded Turntrans55.950.4-176.5-60-34.6000111.7S117 G118 P140 Y141 S142S117-N121 WeakPolarHBondContact O-CA 3.48Å; S117-N121 PolarHBondContact O-N 2.81Å; G118-N121 PolarHBondContact O-OD1 3Å; N121-P140 CarbonylContact O-C 3.55Å; N121-Y141 CarbonylContact C-O 3.53Å; N121-Y141 CarbonylContact O-C 3.56Å; N121-Y141 PolarHBondContact O-N 3.5Å; N121-S142 PolarHBondContact OD1-OG 3.46Å
122E91.7Very high87.6Confident40 Ų4030.3 Ų30.319%0.18716%0.155CC..EExtended strand (participates in β ladder)trans-136.4145.6-174.3-73.3167.6-177.900112.2S117 R120 R124 V138 F139 Y141S117-E122 PolarHBondContact N-O 3.33Å; S117-E122 PolarHBondContact O-N 3.03Å; R120-E122 HydrophobicContact CB-CG 4.26Å; E122-R124 IonicContact OE2-CZ 3.96Å; E122-R124 IonicContact OE2-NE 2.86Å; E122-R124 PolarHBondContact OE2-NE 2.63Å; E122-R124 IonicContact OE2-NH2 3.05Å; E122-R124 PolarHBondContact OE2-NH2 2.77Å; E122-V138 HydrophobicContact CB-CG1 4.03Å; E122-V138 VanDerWaalsContact CD-CG1 3.4Å; E122-V138 HydrophobicContact CG-CG1 3.75Å; E122-V138 WeakPolarHBondContact OE2-CG1 3.41Å; E122-F139 CarbonylContact C-O 3.58Å; E122-F139 WeakPolarHBondContact CA-O 3.34Å; E122-Y141 CarbonylContact C-O 3.55Å; E122-Y141 WeakPolarHBondContact CA-O 3.41Å; E122-Y141 PolarHBondContact N-O 2.85Å
123V93.3Very high86.7Confident0 Ų036.7 Ų36.70%018%0.182CC..EExtended strand (participates in β ladder)trans-104.9133.8165.9-176.90000108.4L114 F139 L143 L162L114-V123 HydrophobicContact CD1-CG1 3.91Å; V123-F139 HydrophobicContact CB-CB 4.3Å; V123-F139 PolarHBondContact N-O 3.05Å; V123-F139 WeakPolarHBondContact O-CD2 3.4Å; V123-F139 PolarHBondContact O-N 2.68Å; V123-L143 HydrophobicContact CG2-CD1 3.49Å; V123-L143 VanDerWaalsContact CG2-CD1 3.49Å; V123-L143 HydrophobicContact CG2-CG 3.79Å; V123-L162 HydrophobicContact CB-CD2 4.35Å
124R92.4Very high86Confident0 Ų039.9 Ų39.90%021%0.209CC..EExtended strand (participates in β ladder)trans-122.8131.9-176.4-57.9-179.9-176.3139.95.9111E115 E122 T136 E137 V138 D729 C730E115-R124 HydrophobicContact CB-CB 4.31Å; E115-R124 PolarHBondContact N-O 3.25Å; E115-R124 PolarHBondContact O-N 2.82Å; E115-R124 IonicContact OE1-NH1 3.72Å; E115-R124 PolarHBondContact OE1-NH1 3.01Å; E115-R124 VanDerWaalsContact OE1-NH1 3.1Å; E122-R124 IonicContact OE2-CZ 3.96Å; E122-R124 IonicContact OE2-NE 2.86Å; E122-R124 PolarHBondContact OE2-NE 2.63Å; E122-R124 IonicContact OE2-NH2 3.05Å; E122-R124 PolarHBondContact OE2-NH2 2.77Å; R124-T136 HydrophobicContact CB-CG2 4.3Å; R124-E137 CarbonylContact C-O 3.56Å; R124-E137 VanDerWaalsContact CA-O 3.29Å; R124-E137 WeakPolarHBondContact CA-O 3.42Å; R124-V138 HydrophobicContact CG-CG1 4.47Å; R124-V138 HydrophobicContact CG-CG2 4.3Å; R124-D729 IonicContact CZ-OD1 3.93Å; R124-D729 IonicContact NH1-OD1 2.7Å; R124-D729 PolarHBondContact NH1-OD1 2.9Å; R124-D729 IonicContact NH2-OD1 3.69Å; R124-C730 PolarHBondContact NH1-O 3.28Å
125L93.7Very high85.5Confident3 Ų341.7 Ų41.72%0.01622%0.217CC..EExtended strand (participates in β ladder)trans-114.8113.8171.7-175.373.4000109.4L112 L114 Y127 T136 E137 F139 V153 V155 I160L112-L125 HydrophobicContact CD1-CD1 3.94Å; L114-L125 HydrophobicContact CB-CD1 4.45Å; L114-L125 HydrophobicContact CD1-CD1 4.17Å; L125-Y127 HydrophobicContact CD2-CD1 4.42Å; L125-T136 WeakPolarHBondContact O-CA 3.06Å; L125-E137 PolarHBondContact N-O 3.42Å; L125-E137 PolarHBondContact O-N 2.97Å; L125-F139 HydrophobicContact CB-CE2 4.23Å; L125-V153 HydrophobicContact CD1-CG1 4.32Å; L125-V153 HydrophobicContact CD2-CG1 3.9Å; L125-V155 HydrophobicContact CD2-CG2 4.4Å; L125-I160 HydrophobicContact CD2-CD1 3.55Å; L125-I160 HydrophobicContact CD2-CG1 4.23Å; L125-I160 HydrophobicContact CD2-CG2 3.91Å
126H91.4Very high85.2Confident7 Ų743.3 Ų43.33%0.03223%0.228CC..EExtended strand (participates in β ladder)trans-93.5132.6172.8-62-82.4000110.1L112 E113 E115 H135 T136L112-H126 WeakPolarHBondContact CA-O 3.47Å; E113-H126 HydrophobicContact CB-CB 4.06Å; E113-H126 PolarHBondContact N-O 2.9Å; E113-H126 PolarHBondContact O-N 2.98Å; E113-H126 IonicContact OE1-CD2 3.64Å; E113-H126 PolarHBondContact OE1-CD2 2.82Å; E113-H126 IonicContact OE1-NE2 2.76Å; E115-H126 IonicContact OE2-NE2 3.64Å; H126-H135 WeakPolarHBondContact CA-O 2.96Å; H126-T136 WeakPolarHBondContact CE1-CG2 3.24Å; H126-T136 PolarHBondContact CE1-OG1 3.37Å; H126-T136 WeakPolarHBondContact ND1-CG2 3.34Å; H126-T136 PolarHBondContact ND1-OG1 3.26Å
127Y91.3Very high85Confident6 Ų645 Ų452%0.02424%0.236CC..EExtended strand (participates in β ladder)trans-147.5166.217264.4-91.6000111.7F111 L125 T129 H135 E137 I160 V174 P177F111-Y127 WeakPolarHBondContact O-CA 3.44Å; L125-Y127 HydrophobicContact CD2-CD1 4.42Å; Y127-T129 HydrophobicContact CD2-CG2 4.27Å; Y127-T129 HydrophobicContact CE2-CG2 3.88Å; Y127-H135 HydrophobicContact CD2-CB 4.21Å; Y127-H135 HydrophobicContact CE1-CB 4.13Å; Y127-H135 HydrophobicContact CE2-CB 3.69Å; Y127-H135 PolarHBondContact N-O 2.86Å; Y127-H135 PolarHBondContact O-N 3Å; Y127-E137 HydrophobicContact CE1-CG 3.58Å; Y127-E137 PolarHBondContact OH-OE1 3.24Å; Y127-I160 HydrophobicContact CD1-CD1 4.01Å; Y127-I160 HydrophobicContact CE1-CD1 3.59Å; Y127-V174 WeakPolarHBondContact OH-CB 3.32Å; Y127-V174 WeakPolarHBondContact OH-CG1 3.09Å; Y127-P177 HydrophobicContact CD2-CB 4.02Å; Y127-P177 HydrophobicContact CD2-CG 3.85Å; Y127-P177 HydrophobicContact CE2-CG 4.29Å; Y127-P177 HydrophobicContact CG-CB 4.31Å; Y127-P177 HydrophobicContact CG-CG 4.13Å
128R87.1Confident84.8Confident26 Ų2647.1 Ų47.110%0.09825%0.248CC..EExtended strand (participates in β ladder)trans-112151.8175.1-63.2177.87683.4-5.2111.4R110 Q132 K133 P177 F178R110-R128 WeakPolarHBondContact O-CD 2.91Å; R110-R128 VanDerWaalsContact O-CG 3.22Å; R110-R128 WeakPolarHBondContact O-CG 3.19Å; R128-Q132 VanDerWaalsContact CZ-OE1 3.31Å; R128-Q132 PolarHBondContact NH2-O 2.64Å; R128-K133 WeakPolarHBondContact CA-O 3.4Å; R128-P177 CarbonylContact O-C 3.55Å; R128-P177 WeakPolarHBondContact O-CA 3.48Å; R128-F178 PolarHBondContact O-N 2.88Å
129T86.4Confident85Confident4 Ų447.2 Ų47.23%0.02525%0.249CC..  trans-108.6174174.467.80000111.2Y127 G131 Q132 K133 E175Y127-T129 HydrophobicContact CD2-CG2 4.27Å; Y127-T129 HydrophobicContact CE2-CG2 3.88Å; T129-G131 PolarHBondContact O-N 2.72Å; T129-Q132 PolarHBondContact O-N 2.95Å; T129-K133 PolarHBondContact N-O 3.32Å; T129-K133 VanDerWaalsContact N-O 3.14Å; T129-E175 HydrophobicContact CG2-CB 3.57Å; T129-E175 WeakPolarHBondContact CG2-OE2 3.31Å; T129-E175 PolarHBondContact OG1-OE2 2.96Å
130K75.6Confident85.3Confident161 Ų16148 Ų4870%0.726%0.259SS*.THydrogen-bonded Turntrans-56-26.5-177.3-78.4-173.8176.5-175.60114Q132 F178K130-Q132 PolarHBondContact O-N 2.87Å; K130-F178 HydrophobicContact CG-CD2 3.73Å; K130-F178 HydrophobicContact CG-CE2 4.33Å; K130-F178 HydrophobicContact CG-CG 4.44Å
131G69.9Low85.6Confident67 Ų6746.2 Ų46.269%0.69125%0.252SS*.THydrogen-bonded Turntrans-79.38.2175.700000114.4T129 K133T129-G131 PolarHBondContact O-N 2.72Å; G131-K133 PolarHBondContact O-N 3.27Å; G131-K133 VanDerWaalsContact O-N 3.12Å
132Q67.1Low85.8Confident81 Ų8144.3 Ų44.338%0.37925%0.245SC..  trans59.119.3-173.2-65.4-67.6-23.600113.4R128 T129 K130R128-Q132 VanDerWaalsContact CZ-OE1 3.31Å; R128-Q132 PolarHBondContact NH2-O 2.64Å; T129-Q132 PolarHBondContact O-N 2.95Å; K130-Q132 PolarHBondContact O-N 2.87Å
133K73Confident85.8Confident135 Ų13542.4 Ų42.459%0.58724%0.236SC*.  trans-80.1131.4173.4-166.1173.6179.1-178.10109R128 T129 G131 H135R128-K133 WeakPolarHBondContact CA-O 3.4Å; T129-K133 PolarHBondContact N-O 3.32Å; T129-K133 VanDerWaalsContact N-O 3.14Å; G131-K133 PolarHBondContact O-N 3.27Å; G131-K133 VanDerWaalsContact O-N 3.12Å; K133-H135 PolarHBondContact O-CD2 2.04Å
134A78.3Confident85.7Confident68 Ų6842.7 Ų42.756%0.56224%0.238SC*.EExtended strand (participates in β ladder)trans-82.8133.8174.500000109.7
135H85.1Confident85.6Confident39 Ų3944.7 Ų44.718%0.18125%0.249CC..EExtended strand (participates in β ladder)trans-123.2146.7176.6-72.7-97.9000109.5H126 Y127 K133H126-H135 WeakPolarHBondContact CA-O 2.96Å; Y127-H135 HydrophobicContact CD2-CB 4.21Å; Y127-H135 HydrophobicContact CE1-CB 4.13Å; Y127-H135 HydrophobicContact CE2-CB 3.69Å; Y127-H135 PolarHBondContact N-O 2.86Å; Y127-H135 PolarHBondContact O-N 3Å; K133-H135 PolarHBondContact O-CD2 2.04Å
136T88.3Confident85.3Confident42 Ų4245.5 Ų45.526%0.25826%0.258SS..EExtended strand (participates in β ladder)trans-132.9114177.5-52.30000108.1R124 L125 H126 V138 P732R124-T136 HydrophobicContact CB-CG2 4.3Å; L125-T136 WeakPolarHBondContact O-CA 3.06Å; H126-T136 WeakPolarHBondContact CE1-CG2 3.24Å; H126-T136 PolarHBondContact CE1-OG1 3.37Å; H126-T136 WeakPolarHBondContact ND1-CG2 3.34Å; H126-T136 PolarHBondContact ND1-OG1 3.26Å; T136-V138 HydrophobicContact CG2-CG2 4.2Å; T136-P732 HydrophobicContact CG2-CG 4.22Å
137E90.5Very high85.3Confident37 Ų3751.2 Ų51.217%0.17329%0.285CS..EExtended strand (participates in β ladder)trans-91127.2172.4-58.8-64.6153.400108.5R124 L125 Y127 F139 I160 V174R124-E137 CarbonylContact C-O 3.56Å; R124-E137 VanDerWaalsContact CA-O 3.29Å; R124-E137 WeakPolarHBondContact CA-O 3.42Å; L125-E137 PolarHBondContact N-O 3.42Å; L125-E137 PolarHBondContact O-N 2.97Å; Y127-E137 HydrophobicContact CE1-CG 3.58Å; Y127-E137 PolarHBondContact OH-OE1 3.24Å; E137-F139 HydrophobicContact CB-CE2 3.79Å; E137-F139 HydrophobicContact CB-CZ 3.87Å; E137-I160 HydrophobicContact CG-CD1 4.11Å; E137-V174 HydrophobicContact CG-CG1 4.08Å; E137-V174 VanDerWaalsContact OE1-CG1 3.3Å; E137-V174 WeakPolarHBondContact OE1-CG1 3.33Å
138V89.5Confident85.5Confident45 Ų4554 Ų5427%0.27330%0.296SS..EExtended strand (participates in β ladder)trans-109.5124.9-179.7-175.40000108.7E122 R124 T136E122-V138 HydrophobicContact CB-CG1 4.03Å; E122-V138 VanDerWaalsContact CD-CG1 3.4Å; E122-V138 HydrophobicContact CG-CG1 3.75Å; E122-V138 WeakPolarHBondContact OE2-CG1 3.41Å; R124-V138 HydrophobicContact CG-CG1 4.47Å; R124-V138 HydrophobicContact CG-CG2 4.3Å; T136-V138 HydrophobicContact CG2-CG2 4.2Å
139F90.1Very high85.8Confident1 Ų153.2 Ų53.20%0.00429%0.293CS..EExtended strand (participates in β ladder)trans-115.2111178.9-57.7-77.4000108.6E122 V123 L125 E137 Y141 I160 L162 Y170 R172E122-F139 CarbonylContact C-O 3.58Å; E122-F139 WeakPolarHBondContact CA-O 3.34Å; V123-F139 HydrophobicContact CB-CB 4.3Å; V123-F139 PolarHBondContact N-O 3.05Å; V123-F139 WeakPolarHBondContact O-CD2 3.4Å; V123-F139 PolarHBondContact O-N 2.68Å; L125-F139 HydrophobicContact CB-CE2 4.23Å; E137-F139 HydrophobicContact CB-CE2 3.79Å; E137-F139 HydrophobicContact CB-CZ 3.87Å; F139-Y141 PolarHBondContact O-N 3.36Å; F139-I160 HydrophobicContact CE2-CG2 4.4Å; F139-I160 HydrophobicContact CZ-CG2 3.77Å; F139-L162 HydrophobicContact CB-CD2 3.68Å; F139-L162 HydrophobicContact CD1-CB 4.43Å; F139-L162 HydrophobicContact CD1-CD2 4.39Å; F139-L162 HydrophobicContact CD2-CD2 4.26Å; F139-L162 HydrophobicContact CG-CD2 3.87Å; F139-Y170 HydrophobicContact CB-CD2 3.76Å; F139-Y170 HydrophobicContact CB-CE2 4.06Å; F139-Y170 AromaticContact CD1-CD2 3.74Å; F139-Y170 HydrophobicContact CD1-CD2 3.74Å; F139-Y170 AromaticContact CD1-CG 3.76Å; F139-Y170 HydrophobicContact CD1-CG 3.76Å; F139-Y170 HydrophobicContact CG-CD2 4.19Å; F139-R172 HydrophobicContact CE1-CB 4.49Å; F139-R172 HydrophobicContact CE1-CG 3.59Å; F139-R172 HydrophobicContact CZ-CG 4.19Å
140P87.4Confident86.2Confident70 Ų7055.6 Ų55.646%0.45530%0.303SS..EExtended strand (participates in β ladder)trans-68.8102.817814.5-13.7000109.8N121 Y170N121-P140 CarbonylContact O-C 3.55Å; P140-Y170 WeakPolarHBondContact CG-OH 3.25Å; P140-Y170 VanDerWaalsContact O-CE2 3.29Å; P140-Y170 WeakPolarHBondContact O-CE2 3.17Å; P140-Y170 PolarHBondContact O-OH 2.78Å
141Y88.5Confident87.1Confident60 Ų6048 Ų4824%0.23527%0.27CS..  trans-163.3131.3178.1-165.9-85.8000110N121 E122 F139 L143 V164 I169N121-Y141 CarbonylContact C-O 3.53Å; N121-Y141 CarbonylContact O-C 3.56Å; N121-Y141 PolarHBondContact O-N 3.5Å; E122-Y141 CarbonylContact C-O 3.55Å; E122-Y141 WeakPolarHBondContact CA-O 3.41Å; E122-Y141 PolarHBondContact N-O 2.85Å; F139-Y141 PolarHBondContact O-N 3.36Å; Y141-L143 HydrophobicContact CD1-CD2 3.8Å; Y141-L143 HydrophobicContact CD1-CG 4.14Å; Y141-L143 HydrophobicContact CE1-CD2 3.74Å; Y141-V164 HydrophobicContact CD1-CG1 4.5Å; Y141-V164 HydrophobicContact CD1-CG2 4.16Å; Y141-V164 HydrophobicContact CE1-CB 4.16Å; Y141-V164 HydrophobicContact CE1-CG1 3.63Å; Y141-V164 HydrophobicContact CE1-CG2 4.06Å; Y141-V164 HydrophobicContact CE2-CB 4.44Å; Y141-V164 HydrophobicContact CG-CG2 4.47Å; Y141-V164 WeakPolarHBondContact OH-CG1 3.35Å; Y141-I169 HydrophobicContact CD2-CG2 4Å; Y141-I169 HydrophobicContact CE2-CD1 4.36Å; Y141-I169 HydrophobicContact CE2-CG1 4.4Å; Y141-I169 HydrophobicContact CE2-CG2 4.5Å
142S90.6Very high88.3Confident38 Ų3845 Ų4527%0.26624%0.238SC..  trans-89.4112.9177.9177.80000111.2N121N121-S142 PolarHBondContact OD1-OG 3.46Å
143L92.3Very high89.6Confident0 Ų041.2 Ų41.20%022%0.221CC..  trans-95.8-13.9168.1-63.6175.8000113.2L91 V123 Y141 D145 H149 V151 V164L91-L143 HydrophobicContact CD1-CB 4.3Å; V123-L143 HydrophobicContact CG2-CD1 3.49Å; V123-L143 VanDerWaalsContact CG2-CD1 3.49Å; V123-L143 HydrophobicContact CG2-CG 3.79Å; Y141-L143 HydrophobicContact CD1-CD2 3.8Å; Y141-L143 HydrophobicContact CD1-CG 4.14Å; Y141-L143 HydrophobicContact CE1-CD2 3.74Å; L143-D145 VanDerWaalsContact C-N 3.32Å; L143-D145 PolarHBondContact O-N 2.96Å; L143-H149 HydrophobicContact CD2-CB 4.02Å; L143-V151 HydrophobicContact CD1-CG2 3.92Å; L143-V151 HydrophobicContact CD2-CG2 3.63Å; L143-V151 HydrophobicContact CG-CG2 4.47Å; L143-V164 HydrophobicContact CD2-CG1 4.14Å
144A91.3Very high90.6Very high6 Ų634.9 Ų34.95%0.0519%0.193CC..  trans-93.855.9-174.600000111.4Q93 E94 H95 F96Q93-A144 HydrophobicContact CB-CB 4.47Å; Q93-A144 HydrophobicContact CG-CB 4.06Å; E94-A144 WeakPolarHBondContact O-CB 3.15Å; H95-A144 VanDerWaalsContact CA-O 3.32Å; H95-A144 WeakPolarHBondContact CA-O 3.48Å; F96-A144 PolarHBondContact N-O 3.35Å
145D89.4Confident91.3Very high43 Ų4331.7 Ų31.723%0.2317%0.167CC..SBendtrans-1125.9-178.273-13.7000112.8H95 L143 Q147 H149H95-D145 VanDerWaalsContact CE1-C 3.43Å; H95-D145 PolarHBondContact CE1-O 2.86Å; H95-D145 PolarHBondContact NE2-O 3.05Å; L143-D145 VanDerWaalsContact C-N 3.32Å; L143-D145 PolarHBondContact O-N 2.96Å; D145-Q147 PolarHBondContact O-N 3.22Å; D145-Q147 WeakPolarHBondContact OD1-CA 2.94Å; D145-Q147 WeakPolarHBondContact OD1-CB 3.26Å; D145-Q147 PolarHBondContact OD1-N 3Å; D145-H149 VanDerWaalsContact CG-NE2 3.34Å; D145-H149 IonicContact OD1-CD2 3.57Å; D145-H149 IonicContact OD1-NE2 3.7Å; D145-H149 PolarHBondContact OD1-NE2 2.87Å; D145-H149 IonicContact OD2-CE1 2.81Å; D145-H149 IonicContact OD2-NE2 2.73Å; D145-H149 PolarHBondContact OD2-NE2 3.22Å
146G88.6Confident91.4Very high20 Ų2031.7 Ų31.721%0.20617%0.172CC..SBendtrans68.614.7-175.900000115K92 Q93K92-G146 WeakPolarHBondContact CE-O 3Å; Q93-G146 VanDerWaalsContact O-CA 3.26Å; Q93-G146 WeakPolarHBondContact O-CA 2.99Å; Q93-G146 PolarHBondContact O-N 2.95Å; Q93-G146 VanDerWaalsContact O-N 3.13Å
147Q92.2Very high91.2Very high127 Ų12730.9 Ų30.959%0.59317%0.169SC*.SBendtrans-105.3167.5172.9-55.2-164.716.600111.7K92 D145K92-Q147 VanDerWaalsContact CA-O 3.32Å; K92-Q147 WeakPolarHBondContact CA-O 3.48Å; K92-Q147 WeakPolarHBondContact CG-O 3.39Å; D145-Q147 PolarHBondContact O-N 3.22Å; D145-Q147 WeakPolarHBondContact OD1-CA 2.94Å; D145-Q147 WeakPolarHBondContact OD1-CB 3.26Å; D145-Q147 PolarHBondContact OD1-N 3Å
148W93.5Very high91Very high65 Ų6531.3 Ų31.325%0.24618%0.176CC..  trans-85.4129.6176.7-78.6106.7000109.9F49 T90 L91 K92 V202 Q204F49-W148 HydrophobicContact CB-CD2 3.98Å; F49-W148 HydrophobicContact CB-CE3 3.94Å; F49-W148 HydrophobicContact CB-CH2 4.34Å; F49-W148 HydrophobicContact CB-CZ2 4.41Å; F49-W148 HydrophobicContact CB-CZ3 4.12Å; F49-W148 HydrophobicContact CD2-CB 3.66Å; F49-W148 HydrophobicContact CD2-CD2 4.03Å; F49-W148 HydrophobicContact CD2-CE3 4.47Å; F49-W148 AromaticContact CD2-CG 3.7Å; F49-W148 HydrophobicContact CD2-CG 3.7Å; F49-W148 HydrophobicContact CE2-CB 4.04Å; F49-W148 HydrophobicContact CE2-CG 4.48Å; F49-W148 HydrophobicContact CG-CD2 4.49Å; T90-W148 HydrophobicContact CG2-CE3 4.04Å; T90-W148 HydrophobicContact CG2-CZ3 4.26Å; L91-W148 WeakPolarHBondContact O-CA 3.22Å; K92-W148 HydrophobicContact CB-CD2 3.69Å; K92-W148 HydrophobicContact CB-CE3 3.71Å; K92-W148 HydrophobicContact CB-CG 4.19Å; K92-W148 HydrophobicContact CB-CH2 4.4Å; K92-W148 HydrophobicContact CB-CZ2 4.36Å; K92-W148 HydrophobicContact CB-CZ3 4.08Å; K92-W148 HydrophobicContact CD-CD2 4.29Å; K92-W148 HydrophobicContact CD-CG 4.4Å; K92-W148 HydrophobicContact CD-CZ2 4.45Å; K92-W148 HydrophobicContact CG-CD2 4.47Å; W148-V202 HydrophobicContact CH2-CB 3.78Å; W148-V202 HydrophobicContact CH2-CG1 3.48Å; W148-V202 VanDerWaalsContact CH2-CG1 3.48Å; W148-V202 HydrophobicContact CZ2-CB 4.3Å; W148-V202 HydrophobicContact CZ2-CG1 4.16Å; W148-V202 HydrophobicContact CZ3-CB 4.39Å; W148-V202 HydrophobicContact CZ3-CG1 4.31Å; W148-Q204 HydrophobicContact CZ3-CB 4.44Å
149H94.5Very high90.9Very high8 Ų832.1 Ų32.14%0.03718%0.177CC..EExtended strand (participates in β ladder)trans-125.6140.1175.5-64.4-65.7000111.8T90 L91 L143 D145 V151 V164 D165T90-H149 CarbonylContact C-O 3.49Å; T90-H149 WeakPolarHBondContact CA-O 3.27Å; L91-H149 PolarHBondContact N-O 3.28Å; L91-H149 PolarHBondContact O-N 2.96Å; L143-H149 HydrophobicContact CD2-CB 4.02Å; D145-H149 VanDerWaalsContact CG-NE2 3.34Å; D145-H149 IonicContact OD1-CD2 3.57Å; D145-H149 IonicContact OD1-NE2 3.7Å; D145-H149 PolarHBondContact OD1-NE2 2.87Å; D145-H149 IonicContact OD2-CE1 2.81Å; D145-H149 IonicContact OD2-NE2 2.73Å; D145-H149 PolarHBondContact OD2-NE2 3.22Å; H149-V151 HydrophobicContact CB-CG2 4.2Å; H149-V164 HydrophobicContact CB-CG1 4.28Å; H149-D165 VanDerWaalsContact CA-OD1 3.29Å; H149-D165 WeakPolarHBondContact CA-OD1 3.32Å; H149-D165 IonicContact CE1-OD2 3.34Å; H149-D165 IonicContact CG-OD2 2.86Å; H149-D165 IonicContact ND1-OD1 3.58Å; H149-D165 IonicContact ND1-OD2 2.75Å; H149-D165 PolarHBondContact ND1-OD2 3.14Å
150K93.9Very high91Very high55 Ų5532 Ų3224%0.23918%0.176CC..EExtended strand (participates in β ladder)trans-95.3112.1165.1-67.7-178.3177.4-174.50109T90 V164 D165 Q218T90-K150 HydrophobicContact CG2-CG 4.3Å; K150-V164 CarbonylContact O-C 3.52Å; K150-V164 VanDerWaalsContact O-CA 3.31Å; K150-V164 WeakPolarHBondContact O-CA 3.3Å; K150-D165 PolarHBondContact N-OD1 3.05Å; K150-D165 PolarHBondContact O-N 3.08Å; K150-Q218 PolarHBondContact NZ-O 2.92Å
151V95.3Very high91.2Very high1 Ų130.3 Ų30.31%0.00616%0.163CC..EExtended strand (participates in β ladder)trans-111.2130.7-178.7-1740000109.5V89 L91 L143 H149 V153 L162 H163 Q218V89-V151 HydrophobicContact CG1-CB 3.83Å; V89-V151 HydrophobicContact CG1-CG1 4.49Å; V89-V151 PolarHBondContact N-O 2.95Å; V89-V151 PolarHBondContact O-N 2.98Å; V89-V151 VanDerWaalsContact O-O 3.07Å; L91-V151 HydrophobicContact CD2-CG2 4.44Å; L91-V151 HydrophobicContact CG-CG2 4.45Å; L143-V151 HydrophobicContact CD1-CG2 3.92Å; L143-V151 HydrophobicContact CD2-CG2 3.63Å; L143-V151 HydrophobicContact CG-CG2 4.47Å; H149-V151 HydrophobicContact CB-CG2 4.2Å; V151-V153 HydrophobicContact CG1-CG2 4.43Å; V151-L162 HydrophobicContact CG1-CD1 3.82Å; V151-H163 WeakPolarHBondContact CA-O 3.47Å; V151-Q218 PolarHBondContact O-OE1 3.1Å
152S94.6Very high91.4Very high3 Ų327.4 Ų27.42%0.02115%0.152CC..EExtended strand (participates in β ladder)trans-134132.7168.166.80000112V87 H163 F215V87-S152 CarbonylContact O-C 3.54Å; V87-S152 WeakPolarHBondContact O-CA 3.33Å; S152-H163 PolarHBondContact N-O 2.92Å; S152-H163 PolarHBondContact O-N 2.87Å; S152-H163 WeakPolarHBondContact OG-CB 2.94Å; S152-F215 VanDerWaalsContact OG-CB 3.26Å; S152-F215 WeakPolarHBondContact OG-CB 3.1Å
153V95.1Very high91.4Very high2 Ų226.1 Ų26.11%0.01214%0.141CC..EExtended strand (participates in β ladder)trans-117103.1179.5-173.90000107.5T86 V87 L114 L125 V151 I160 L162T86-V153 CarbonylContact C-O 3.39Å; T86-V153 VanDerWaalsContact CA-O 3.31Å; T86-V153 WeakPolarHBondContact CA-O 2.99Å; V87-V153 HydrophobicContact CB-CB 4.46Å; V87-V153 PolarHBondContact N-O 3.41Å; V87-V153 PolarHBondContact O-N 2.8Å; L114-V153 HydrophobicContact CD1-CG2 3.91Å; L114-V153 HydrophobicContact CD2-CG2 4.08Å; L125-V153 HydrophobicContact CD1-CG1 4.32Å; L125-V153 HydrophobicContact CD2-CG1 3.9Å; V151-V153 HydrophobicContact CG1-CG2 4.43Å; V153-I160 HydrophobicContact CG1-CG2 4.04Å; V153-L162 HydrophobicContact CG2-CD1 3.71Å
154A93.3Very high91.4Very high2 Ų226.1 Ų26.12%0.01714%0.142CC..EExtended strand (participates in β ladder)trans-93.9122.2179.600000110.1T86 I160 I161 P212 F215T86-A154 HydrophobicContact CG2-CB 4.03Å; A154-I160 CarbonylContact O-C 3.44Å; A154-I160 WeakPolarHBondContact O-CA 2.92Å; A154-I161 HydrophobicContact CB-CB 4.42Å; A154-I161 PolarHBondContact N-O 3.27Å; A154-I161 PolarHBondContact O-N 3.15Å; A154-P212 WeakPolarHBondContact CB-O 3.39Å; A154-F215 HydrophobicContact CB-CD1 4.32Å
155V92.4Very high91.4Very high2 Ų228.7 Ų28.71%0.01215%0.154CC..EExtended strand (participates in β ladder)trans-105.5119.2173.8-176.30000107.4E84 F85 L125 I160 P177E84-V155 VanDerWaalsContact CA-O 3.25Å; E84-V155 WeakPolarHBondContact CA-O 3.35Å; F85-V155 HydrophobicContact CD1-CB 4.36Å; F85-V155 HydrophobicContact CD2-CG2 4.4Å; F85-V155 HydrophobicContact CE1-CB 4.05Å; F85-V155 HydrophobicContact CE1-CG1 4.08Å; F85-V155 HydrophobicContact CE1-CG2 4.34Å; F85-V155 HydrophobicContact CE2-CB 4.21Å; F85-V155 HydrophobicContact CE2-CG2 3.78Å; F85-V155 HydrophobicContact CZ-CB 3.98Å; F85-V155 HydrophobicContact CZ-CG1 4.24Å; F85-V155 HydrophobicContact CZ-CG2 3.74Å; F85-V155 PolarHBondContact N-O 3.18Å; F85-V155 PolarHBondContact O-N 3.1Å; L125-V155 HydrophobicContact CD2-CG2 4.4Å; V155-I160 HydrophobicContact CG1-CG1 4.47Å; V155-I160 HydrophobicContact CG2-CG1 4.29Å; V155-P177 HydrophobicContact CG1-CG 3.8Å
156S88.8Confident91.2Very high39 Ų3928.4 Ų28.427%0.27316%0.155SC..EExtended strand (participates in β ladder)trans-128.985.8-179.8-174.40000109.8S158 H159S156-S158 PolarHBondContact O-N 2.62Å; S156-H159 PolarHBondContact N-O 3.43Å; S156-H159 PolarHBondContact O-N 2.95Å
157A84Confident90.8Very high25 Ų2532.2 Ų32.221%0.20717%0.171CC..THydrogen-bonded Turntrans50.6-92.4-175.900000113.7R83 I176 P177R83-A157 PolarHBondContact O-N 3.21Å; A157-I176 WeakPolarHBondContact O-CA 3.46Å; A157-P177 VanDerWaalsContact O-CD 3.25Å; A157-P177 WeakPolarHBondContact O-CD 3.42Å
158S85.9Confident90.4Very high45 Ų4533.8 Ų33.832%0.31517%0.171SC..THydrogen-bonded Turntrans-9910.3179.861.60000114.3S156 V173 V174S156-S158 PolarHBondContact O-N 2.62Å; S158-V173 CarbonylContact O-C 3.58Å; S158-V173 VanDerWaalsContact O-CA 3.3Å; S158-V173 WeakPolarHBondContact O-CA 3.36Å; S158-V174 VanDerWaalsContact CA-O 3.29Å; S158-V174 WeakPolarHBondContact CA-O 3.36Å; S158-V174 WeakPolarHBondContact CB-O 3.38Å; S158-V174 PolarHBondContact O-N 2.65Å
159H88.1Confident90Very high62 Ų6233.3 Ų33.329%0.28717%0.173SC..EExtended strand (participates in β ladder)trans-124.1136.9178.6-68.3-106.4000110.9S156 E171 R172S156-H159 PolarHBondContact N-O 3.43Å; S156-H159 PolarHBondContact O-N 2.95Å; H159-E171 IonicContact CE1-OE1 3.93Å; H159-E171 IonicContact ND1-OE1 3.59Å; H159-E171 PolarHBondContact ND1-OE1 3.16Å; H159-R172 CarbonylContact C-O 3.46Å; H159-R172 WeakPolarHBondContact CA-O 3.48Å
160I92.3Very high89.6Confident0 Ų035.8 Ų35.80%018%0.183CC..EExtended strand (participates in β ladder)trans-117.5128.9166.2-66.2169.3000108.2L125 Y127 E137 F139 V153 A154 V155 E171 R172 V174L125-I160 HydrophobicContact CD2-CD1 3.55Å; L125-I160 HydrophobicContact CD2-CG1 4.23Å; L125-I160 HydrophobicContact CD2-CG2 3.91Å; Y127-I160 HydrophobicContact CD1-CD1 4.01Å; Y127-I160 HydrophobicContact CE1-CD1 3.59Å; E137-I160 HydrophobicContact CG-CD1 4.11Å; F139-I160 HydrophobicContact CE2-CG2 4.4Å; F139-I160 HydrophobicContact CZ-CG2 3.77Å; V153-I160 HydrophobicContact CG1-CG2 4.04Å; A154-I160 CarbonylContact O-C 3.44Å; A154-I160 WeakPolarHBondContact O-CA 2.92Å; V155-I160 HydrophobicContact CG1-CG1 4.47Å; V155-I160 HydrophobicContact CG2-CG1 4.29Å; I160-E171 WeakPolarHBondContact O-CA 3.21Å; I160-R172 PolarHBondContact N-O 3.1Å; I160-R172 PolarHBondContact O-N 2.76Å; I160-V174 HydrophobicContact CD1-CB 4.24Å; I160-V174 HydrophobicContact CD1-CG1 3.85Å; I160-V174 HydrophobicContact CD1-CG2 3.7Å; I160-V174 HydrophobicContact CG1-CG1 4.33Å; I160-V174 HydrophobicContact CG1-CG2 3.71Å
161I91.3Very high89.3Confident33 Ų3337 Ų3717%0.16919%0.189CC..EExtended strand (participates in β ladder)trans-124.8120.7-179.9-49.6177000108.9A154 H163 R168 Y170 E171A154-I161 HydrophobicContact CB-CB 4.42Å; A154-I161 PolarHBondContact N-O 3.27Å; A154-I161 PolarHBondContact O-N 3.15Å; I161-H163 WeakPolarHBondContact CG2-CE1 3.12Å; I161-R168 HydrophobicContact CG2-CG 3.65Å; I161-Y170 WeakPolarHBondContact CA-O 3.29Å; I161-E171 HydrophobicContact CG1-CG 4.18Å
162L92.8Very high88.7Confident0 Ų041.4 Ų41.40%021%0.206CC..EExtended strand (participates in β ladder)trans-97122.8173.217766.3000109.4V123 F139 V151 V153 V164 I169 Y170V123-L162 HydrophobicContact CB-CD2 4.35Å; F139-L162 HydrophobicContact CB-CD2 3.68Å; F139-L162 HydrophobicContact CD1-CB 4.43Å; F139-L162 HydrophobicContact CD1-CD2 4.39Å; F139-L162 HydrophobicContact CD2-CD2 4.26Å; F139-L162 HydrophobicContact CG-CD2 3.87Å; V151-L162 HydrophobicContact CG1-CD1 3.82Å; V153-L162 HydrophobicContact CG2-CD1 3.71Å; L162-V164 HydrophobicContact CD1-CG2 4.34Å; L162-V164 HydrophobicContact CD2-CG2 4.41Å; L162-V164 HydrophobicContact CG-CG2 4.21Å; L162-I169 PolarHBondContact O-N 3.4Å; L162-Y170 HydrophobicContact CD2-CD2 4.19Å; L162-Y170 PolarHBondContact N-O 3.47Å; L162-Y170 PolarHBondContact O-N 3.34Å
163H90.6Very high88.3Confident10 Ų1046.3 Ų46.35%0.04624%0.235CC..EExtended strand (participates in β ladder)trans-110.7138.9166.6-54.475.1000110.5V151 S152 I161 N167 F215V151-H163 WeakPolarHBondContact CA-O 3.47Å; S152-H163 PolarHBondContact N-O 2.92Å; S152-H163 PolarHBondContact O-N 2.87Å; S152-H163 WeakPolarHBondContact OG-CB 2.94Å; I161-H163 WeakPolarHBondContact CG2-CE1 3.12Å; H163-N167 CarbonylContact C-O 3.55Å; H163-N167 WeakPolarHBondContact CA-O 3.41Å; H163-N167 WeakPolarHBondContact CB-O 3.03Å; H163-F215 AromaticContact CE1-CD1 3.84Å
164V92.1Very high87.9Confident1 Ų146.9 Ų46.91%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-129.5130.4170.5-172.50000108.4Y141 L143 H149 K150 L162 C166 N167 I169Y141-V164 HydrophobicContact CD1-CG1 4.5Å; Y141-V164 HydrophobicContact CD1-CG2 4.16Å; Y141-V164 HydrophobicContact CE1-CB 4.16Å; Y141-V164 HydrophobicContact CE1-CG1 3.63Å; Y141-V164 HydrophobicContact CE1-CG2 4.06Å; Y141-V164 HydrophobicContact CE2-CB 4.44Å; Y141-V164 HydrophobicContact CG-CG2 4.47Å; Y141-V164 WeakPolarHBondContact OH-CG1 3.35Å; L143-V164 HydrophobicContact CD2-CG1 4.14Å; H149-V164 HydrophobicContact CB-CG1 4.28Å; K150-V164 CarbonylContact O-C 3.52Å; K150-V164 VanDerWaalsContact O-CA 3.31Å; K150-V164 WeakPolarHBondContact O-CA 3.3Å; L162-V164 HydrophobicContact CD1-CG2 4.34Å; L162-V164 HydrophobicContact CD2-CG2 4.41Å; L162-V164 HydrophobicContact CG-CG2 4.21Å; V164-C166 VanDerWaalsContact C-N 3.26Å; V164-C166 PolarHBondContact O-N 2.97Å; V164-N167 PolarHBondContact N-O 2.05Å; V164-N167 WeakPolarHBondContact O-CB 3.47Å; V164-N167 PolarHBondContact O-N 3.02Å; V164-I169 HydrophobicContact CB-CD1 4.42Å; V164-I169 HydrophobicContact CB-CG1 3.88Å; V164-I169 HydrophobicContact CG2-CG1 3.93Å
165D89.8Confident87.4Confident59 Ų5952.3 Ų52.332%0.31626%0.264SS..THydrogen-bonded Turntrans51.743.9179.4-60.8-37000113.4H149 K150 N167H149-D165 VanDerWaalsContact CA-OD1 3.29Å; H149-D165 WeakPolarHBondContact CA-OD1 3.32Å; H149-D165 IonicContact CE1-OD2 3.34Å; H149-D165 IonicContact CG-OD2 2.86Å; H149-D165 IonicContact ND1-OD1 3.58Å; H149-D165 IonicContact ND1-OD2 2.75Å; H149-D165 PolarHBondContact ND1-OD2 3.14Å; K150-D165 PolarHBondContact N-OD1 3.05Å; K150-D165 PolarHBondContact O-N 3.08Å; D165-N167 PolarHBondContact O-N 3.21Å; D165-N167 PolarHBondContact O-ND2 3.38Å
166C85.2Confident87.1Confident38 Ų3855.7 Ų55.726%0.25728%0.281SS..THydrogen-bonded Turntrans6417.6-177.3-52.60000115.1V164 C219 L222V164-C166 VanDerWaalsContact C-N 3.26Å; V164-C166 PolarHBondContact O-N 2.97Å; C166-C219 WeakPolarHBondContact CA-SG 3.39Å; C166-C219 HydrophobicContact CB-CB 3.69Å; C166-C219 WeakPolarHBondContact CB-SG 3.4Å; C166-C219 WeakPolarHBondContact SG-CB 3.02Å; C166-C219 CovalentContact SG-SG 2.03Å; C166-C219 PolarHBondContact SG-SG 2.98Å; C166-L222 WeakPolarHBondContact O-CD1 3.5Å
167N81.1Confident86.9Confident100 Ų10054.1 Ų54.154%0.53527%0.27SS..EExtended strand (participates in β ladder)trans-110.5136.5172.4-61.3-57.9000110.3H163 V164 D165 I169H163-N167 CarbonylContact C-O 3.55Å; H163-N167 WeakPolarHBondContact CA-O 3.41Å; H163-N167 WeakPolarHBondContact CB-O 3.03Å; V164-N167 PolarHBondContact N-O 2.05Å; V164-N167 WeakPolarHBondContact O-CB 3.47Å; V164-N167 PolarHBondContact O-N 3.02Å; D165-N167 PolarHBondContact O-N 3.21Å; D165-N167 PolarHBondContact O-ND2 3.38Å; N167-I169 HydrophobicContact CB-CD1 3.89Å; N167-I169 PolarHBondContact O-N 3.06Å
168R84.6Confident87Confident159 Ų15955.3 Ų55.360%0.627%0.271SS*.EExtended strand (participates in β ladder)trans-74.3108.3171-177175.566.4168.3-7.1108.5I161 E171I161-R168 HydrophobicContact CG2-CG 3.65Å; R168-E171 IonicContact CZ-OE2 3.13Å; R168-E171 IonicContact NH1-OE2 2.73Å; R168-E171 PolarHBondContact NH1-OE2 3.06Å
169I85.3Confident86.9Confident56 Ų5653.5 Ų53.529%0.28726%0.257SS..EExtended strand (participates in β ladder)trans-89.2-49.2-176.8-50.4-56.5000110.4Y141 L162 V164 N167Y141-I169 HydrophobicContact CD2-CG2 4Å; Y141-I169 HydrophobicContact CE2-CD1 4.36Å; Y141-I169 HydrophobicContact CE2-CG1 4.4Å; Y141-I169 HydrophobicContact CE2-CG2 4.5Å; L162-I169 PolarHBondContact O-N 3.4Å; V164-I169 HydrophobicContact CB-CD1 4.42Å; V164-I169 HydrophobicContact CB-CG1 3.88Å; V164-I169 HydrophobicContact CG2-CG1 3.93Å; N167-I169 HydrophobicContact CB-CD1 3.89Å; N167-I169 PolarHBondContact O-N 3.06Å
170Y85.4Confident86.7Confident59 Ų5955 Ų5523%0.23127%0.267CS..EExtended strand (participates in β ladder)trans-136.3147.4-177.9-65.3-70.6000112.3F139 P140 I161 L162F139-Y170 HydrophobicContact CB-CD2 3.76Å; F139-Y170 HydrophobicContact CB-CE2 4.06Å; F139-Y170 AromaticContact CD1-CD2 3.74Å; F139-Y170 HydrophobicContact CD1-CD2 3.74Å; F139-Y170 AromaticContact CD1-CG 3.76Å; F139-Y170 HydrophobicContact CD1-CG 3.76Å; F139-Y170 HydrophobicContact CG-CD2 4.19Å; P140-Y170 WeakPolarHBondContact CG-OH 3.25Å; P140-Y170 VanDerWaalsContact O-CE2 3.29Å; P140-Y170 WeakPolarHBondContact O-CE2 3.17Å; P140-Y170 PolarHBondContact O-OH 2.78Å; I161-Y170 WeakPolarHBondContact CA-O 3.29Å; L162-Y170 HydrophobicContact CD2-CD2 4.19Å; L162-Y170 PolarHBondContact N-O 3.47Å; L162-Y170 PolarHBondContact O-N 3.34Å
171E86.8Confident86.3Confident80 Ų8055 Ų5537%0.37427%0.268SS..EExtended strand (participates in β ladder)trans-129.9129.5168.5179.7168.1-179.300108.7H159 I160 I161 R168H159-E171 IonicContact CE1-OE1 3.93Å; H159-E171 IonicContact ND1-OE1 3.59Å; H159-E171 PolarHBondContact ND1-OE1 3.16Å; I160-E171 WeakPolarHBondContact O-CA 3.21Å; I161-E171 HydrophobicContact CG1-CG 4.18Å; R168-E171 IonicContact CZ-OE2 3.13Å; R168-E171 IonicContact NH1-OE2 2.73Å; R168-E171 PolarHBondContact NH1-OE2 3.06Å
172R83.5Confident86Confident95 Ų9555.7 Ų55.736%0.35827%0.274SS..EExtended strand (participates in β ladder)trans-127.9136.1-178.8-69.1-70.5-178-109.45.4109.9F139 H159 I160 V174F139-R172 HydrophobicContact CE1-CB 4.49Å; F139-R172 HydrophobicContact CE1-CG 3.59Å; F139-R172 HydrophobicContact CZ-CG 4.19Å; H159-R172 CarbonylContact C-O 3.46Å; H159-R172 WeakPolarHBondContact CA-O 3.48Å; I160-R172 PolarHBondContact N-O 3.1Å; I160-R172 PolarHBondContact O-N 2.76Å; R172-V174 HydrophobicContact CB-CG1 4.14Å
173V86.3Confident85.3Confident106 Ų10662.7 Ų62.764%0.64231%0.307SS*.EExtended strand (participates in β ladder)trans-92.6119.2170.7-177.80000107.9S158S158-V173 CarbonylContact O-C 3.58Å; S158-V173 VanDerWaalsContact O-CA 3.3Å; S158-V173 WeakPolarHBondContact O-CA 3.36Å
174V86.6Confident84.9Confident14 Ų1468.5 Ų68.59%0.08534%0.338CS..  trans-127161.7-171.2-64.20000112.3Y127 E137 S158 I160 R172Y127-V174 WeakPolarHBondContact OH-CB 3.32Å; Y127-V174 WeakPolarHBondContact OH-CG1 3.09Å; E137-V174 HydrophobicContact CG-CG1 4.08Å; E137-V174 VanDerWaalsContact OE1-CG1 3.3Å; E137-V174 WeakPolarHBondContact OE1-CG1 3.33Å; S158-V174 VanDerWaalsContact CA-O 3.29Å; S158-V174 WeakPolarHBondContact CA-O 3.36Å; S158-V174 WeakPolarHBondContact CB-O 3.38Å; S158-V174 PolarHBondContact O-N 2.65Å; I160-V174 HydrophobicContact CD1-CB 4.24Å; I160-V174 HydrophobicContact CD1-CG1 3.85Å; I160-V174 HydrophobicContact CD1-CG2 3.7Å; I160-V174 HydrophobicContact CG1-CG1 4.33Å; I160-V174 HydrophobicContact CG1-CG2 3.71Å; R172-V174 HydrophobicContact CB-CG1 4.14Å
175E82.7Confident84.7Confident115 Ų11568.7 Ų68.754%0.53734%0.339SS..PPolyproline II helixtrans-65.4145164.6-75.4-173.1-163.300110.3T129 P177T129-E175 HydrophobicContact CG2-CB 3.57Å; T129-E175 WeakPolarHBondContact CG2-OE2 3.31Å; T129-E175 PolarHBondContact OG1-OE2 2.96Å; E175-P177 WeakPolarHBondContact O-CD 3.34Å
176I85.5Confident84.6Confident73 Ų7366.9 Ų66.937%0.37433%0.33SS..PPolyproline II helixtrans-62.2119.9-173.6-58.8168.9000110R83 A157 F178R83-I176 HydrophobicContact CG-CG2 4.39Å; A157-I176 WeakPolarHBondContact O-CA 3.46Å; I176-F178 PolarHBondContact O-N 3.12Å
177P85.9Confident85Confident7 Ų765.1 Ų65.15%0.04532%0.318CS..PPolyproline II helixtrans-59.1131.6176.4-27.238.1000111.3Y127 R128 V155 A157 E175 M179Y127-P177 HydrophobicContact CD2-CB 4.02Å; Y127-P177 HydrophobicContact CD2-CG 3.85Å; Y127-P177 HydrophobicContact CE2-CG 4.29Å; Y127-P177 HydrophobicContact CG-CB 4.31Å; Y127-P177 HydrophobicContact CG-CG 4.13Å; R128-P177 CarbonylContact O-C 3.55Å; R128-P177 WeakPolarHBondContact O-CA 3.48Å; V155-P177 HydrophobicContact CG1-CG 3.8Å; A157-P177 VanDerWaalsContact O-CD 3.25Å; A157-P177 WeakPolarHBondContact O-CD 3.42Å; E175-P177 WeakPolarHBondContact O-CD 3.34Å; P177-M179 PolarHBondContact O-N 2.54Å
178F85.1Confident85.5Confident50 Ų5061.1 Ų61.122%0.21930%0.296CS..  trans-88.5102178.6-177.7-110.2000109.7R128 K130 I176 D180R128-F178 PolarHBondContact O-N 2.88Å; K130-F178 HydrophobicContact CG-CD2 3.73Å; K130-F178 HydrophobicContact CG-CE2 4.33Å; K130-F178 HydrophobicContact CG-CG 4.44Å; I176-F178 PolarHBondContact O-N 3.12Å; F178-D180 HydrophobicContact CD1-CB 4.29Å; F178-D180 HydrophobicContact CD2-CB 4.4Å; F178-D180 HydrophobicContact CE1-CB 3.54Å; F178-D180 HydrophobicContact CE2-CB 3.67Å; F178-D180 HydrophobicContact CZ-CB 3.2Å
179M84.4Confident85.9Confident6 Ų653.5 Ų53.53%0.0327%0.267CS..  trans-100.736.5-177.7-61.7-62-74.100112.7L79 R80 G81 R82 F85 L112 P177 I181L79-M179 HydrophobicContact CB-CE 4.35Å; R80-M179 CarbonylContact C-O 3.55Å; R80-M179 WeakPolarHBondContact CA-O 3.44Å; G81-M179 PolarHBondContact N-O 3.41Å; R82-M179 VanDerWaalsContact O-CB 3.27Å; R82-M179 WeakPolarHBondContact O-CB 3.11Å; R82-M179 VanDerWaalsContact O-CG 3.31Å; R82-M179 WeakPolarHBondContact O-CG 3.38Å; F85-M179 HydrophobicContact CD1-CE 4.38Å; F85-M179 HydrophobicContact CE1-CE 3.76Å; F85-M179 HydrophobicContact CE1-CG 3.89Å; F85-M179 HydrophobicContact CE1-SD 3.87Å; F85-M179 HydrophobicContact CZ-CE 3.94Å; F85-M179 HydrophobicContact CZ-SD 4.1Å; L112-M179 HydrophobicContact CD2-CE 4.24Å; P177-M179 PolarHBondContact O-N 2.54Å; M179-I181 HydrophobicContact CE-CD1 3.93Å; M179-I181 PolarHBondContact O-N 2.84Å
180D83.9Confident86.2Confident93 Ų9350.9 Ų50.950%0.49725%0.253SS..  trans-90.585.5169.5-157.912.7000108.7F178F178-D180 HydrophobicContact CD1-CB 4.29Å; F178-D180 HydrophobicContact CD2-CB 4.4Å; F178-D180 HydrophobicContact CE1-CB 3.54Å; F178-D180 HydrophobicContact CE2-CB 3.67Å; F178-D180 HydrophobicContact CZ-CB 3.2Å
181I84.4Confident86.4Confident2 Ų248 Ų481%0.0124%0.242CC..  trans-86.7123.2-170.1-61.3174.6000108.7L76 L79 R80 I104 M179 T185L76-I181 HydrophobicContact CB-CG2 4.36Å; L76-I181 HydrophobicContact CD1-CG2 4.17Å; L76-I181 HydrophobicContact CD2-CD1 4.14Å; L79-I181 HydrophobicContact CB-CD1 4.35Å; R80-I181 PolarHBondContact NE-O 3.48Å; R80-I181 PolarHBondContact NH2-O 3.14Å; I104-I181 HydrophobicContact CG2-CD1 4.5Å; I104-I181 HydrophobicContact CG2-CG2 4.47Å; M179-I181 HydrophobicContact CE-CD1 3.93Å; M179-I181 PolarHBondContact O-N 2.84Å; I181-T185 HydrophobicContact CG2-CG2 3.41Å; I181-T185 VanDerWaalsContact CG2-CG2 3.41Å; I181-T185 WeakPolarHBondContact CG2-OG1 3.08Å
182P84.1Confident86.3Confident47 Ų4744.9 Ų44.931%0.30523%0.227SC..  trans-55.8160.9176-24.831.8000114.4R80 F111 T185R80-P182 PolarHBondContact NH2-O 2.72Å; F111-P182 HydrophobicContact CE2-CG 4.3Å; F111-P182 VanDerWaalsContact CZ-CD 3.41Å; F111-P182 HydrophobicContact CZ-CG 3.84Å; P182-T185 HydrophobicContact CB-CG2 3.87Å; P182-T185 HydrophobicContact CG-CG2 4.1Å; P182-T185 WeakPolarHBondContact O-CB 3.05Å; P182-T185 WeakPolarHBondContact O-CG2 3.05Å; P182-T185 PolarHBondContact O-OG1 2.73Å
183E77.3Confident86.2Confident147 Ų14741.5 Ų41.569%0.68722%0.218SC*.THydrogen-bonded Turntrans-70-32.2179.8-65.3-175.5170.300112.6T185E183-T185 PolarHBondContact O-N 2.96Å; E183-T185 VanDerWaalsContact O-N 3.1Å
184D82.3Confident85.9Confident132 Ų13239.8 Ų39.871%0.70621%0.211SC*.THydrogen-bonded Turntrans-84.526.4-179.2-64-33.8000114H106H106-D184 PolarHBondContact CD2-O 3.43Å
185T87.8Confident85.2Confident4 Ų440 Ų403%0.02521%0.214CC..  trans-85.3144.2-173.348.20000112.9L76 H106 I181 P182 E183L76-T185 WeakPolarHBondContact CD1-OG1 3Å; H106-T185 HydrophobicContact CB-CG2 3.66Å; I181-T185 HydrophobicContact CG2-CG2 3.41Å; I181-T185 VanDerWaalsContact CG2-CG2 3.41Å; I181-T185 WeakPolarHBondContact CG2-OG1 3.08Å; P182-T185 HydrophobicContact CB-CG2 3.87Å; P182-T185 HydrophobicContact CG-CG2 4.1Å; P182-T185 WeakPolarHBondContact O-CB 3.05Å; P182-T185 WeakPolarHBondContact O-CG2 3.05Å; P182-T185 PolarHBondContact O-OG1 2.73Å; E183-T185 PolarHBondContact O-N 2.96Å; E183-T185 VanDerWaalsContact O-N 3.1Å
186T89.2Confident84.9Confident21 Ų2134.9 Ų34.913%0.12919%0.19CC..EExtended strand (participates in β ladder)trans-110136.6-177620000111.2H105 W188H105-T186 PolarHBondContact N-O 2.87Å; H105-T186 PolarHBondContact O-N 3.31Å; H105-T186 PolarHBondContact O-OG1 3.22Å; T186-W188 PolarHBondContact OG1-NE1 3.06Å; T186-W188 VanDerWaalsContact OG1-NE1 3.1Å
187F92.3Very high84.8Confident1 Ų131.8 Ų31.80%0.00418%0.176CC..EExtended strand (participates in β ladder)trans-104.9126.1174.2-176.8-79.7000110.1V30 A67 M75 L102 I104 L189 I208V30-F187 HydrophobicContact CG1-CE1 3.53Å; V30-F187 HydrophobicContact CG1-CZ 3.85Å; V30-F187 HydrophobicContact CG2-CE1 4.43Å; V30-F187 HydrophobicContact CG2-CZ 3.93Å; A67-F187 HydrophobicContact CB-CB 3.98Å; A67-F187 HydrophobicContact CB-CD1 4.28Å; A67-F187 PolarHBondContact N-O 3.37Å; M75-F187 HydrophobicContact CE-CD1 4.02Å; M75-F187 HydrophobicContact CE-CD2 4.04Å; M75-F187 HydrophobicContact CE-CE1 3.93Å; M75-F187 HydrophobicContact CE-CE2 3.95Å; M75-F187 HydrophobicContact CE-CG 4.1Å; M75-F187 HydrophobicContact CE-CZ 3.9Å; L102-F187 HydrophobicContact CB-CZ 4.23Å; I104-F187 HydrophobicContact CD1-CD2 4.14Å; I104-F187 HydrophobicContact CD1-CE2 4.3Å; I104-F187 HydrophobicContact CG1-CD2 3.67Å; I104-F187 HydrophobicContact CG1-CE2 4.11Å; F187-L189 HydrophobicContact CE1-CB 4.25Å; F187-I208 HydrophobicContact CE2-CD1 4.03Å
188W92.1Very high84.9Confident16 Ų1632.6 Ų32.66%0.06118%0.179CC..EExtended strand (participates in β ladder)trans-120.8142.4178.1-63.680.8000110.9E64 K66 L102 S103 H105 T186 Q191E64-W188 HydrophobicContact CG-CH2 3.97Å; E64-W188 HydrophobicContact CG-CZ3 3.8Å; K66-W188 HydrophobicContact CB-CD2 3.99Å; K66-W188 HydrophobicContact CB-CE3 3.72Å; K66-W188 HydrophobicContact CB-CH2 3.89Å; K66-W188 HydrophobicContact CB-CZ2 4.12Å; K66-W188 HydrophobicContact CB-CZ3 3.68Å; K66-W188 HydrophobicContact CD-CH2 3.98Å; K66-W188 HydrophobicContact CD-CZ2 3.65Å; K66-W188 HydrophobicContact CG-CD2 4.02Å; K66-W188 HydrophobicContact CG-CE3 4.27Å; K66-W188 HydrophobicContact CG-CH2 4.14Å; K66-W188 HydrophobicContact CG-CZ2 3.86Å; K66-W188 HydrophobicContact CG-CZ3 4.33Å; L102-W188 WeakPolarHBondContact CA-O 3.38Å; S103-W188 PolarHBondContact N-O 3.06Å; S103-W188 PolarHBondContact O-N 3.09Å; H105-W188 AromaticContact CD2-CD1 3.47Å; H105-W188 VanDerWaalsContact CD2-CD1 3.47Å; H105-W188 AromaticContact CD2-NE1 3.66Å; H105-W188 AromaticContact CE1-NE1 3.75Å; H105-W188 AromaticContact NE2-CD1 3.17Å; H105-W188 AromaticContact NE2-CE2 3.76Å; H105-W188 AromaticContact NE2-NE1 2.87Å; H105-W188 PolarHBondContact NE2-NE1 3.24Å; T186-W188 PolarHBondContact OG1-NE1 3.06Å; T186-W188 VanDerWaalsContact OG1-NE1 3.1Å; W188-Q191 HydrophobicContact CB-CG 4.46Å; W188-Q191 VanDerWaalsContact CB-O 3.25Å; W188-Q191 WeakPolarHBondContact CB-O 3.42Å; W188-Q191 HydrophobicContact CE3-CG 3.74Å; W188-Q191 HydrophobicContact CZ3-CG 4.43Å
189L93.1Very high85.3Confident0 Ų030.2 Ų30.20%017%0.169CC..EExtended strand (participates in β ladder)trans-122.4131.6179.5-175.571.1000111.2V30 F31 L34 L36 F58 V65 I101 L102 F187 Q191 V206V30-L189 HydrophobicContact CG1-CD1 4.09Å; V30-L189 HydrophobicContact CG1-CD2 3.88Å; V30-L189 HydrophobicContact CG1-CG 4.43Å; F31-L189 HydrophobicContact CD1-CD2 3.87Å; F31-L189 HydrophobicContact CE1-CD2 3.45Å; F31-L189 VanDerWaalsContact CE1-CD2 3.45Å; L34-L189 HydrophobicContact CD1-CB 4.04Å; L34-L189 HydrophobicContact CD1-CD2 3.83Å; L36-L189 HydrophobicContact CD1-CD2 4.03Å; F58-L189 HydrophobicContact CZ-CD2 4.05Å; F58-L189 HydrophobicContact CZ-CG 4.32Å; V65-L189 WeakPolarHBondContact CB-O 3.38Å; V65-L189 HydrophobicContact CG1-CB 4.04Å; V65-L189 PolarHBondContact O-N 3.33Å; V65-L189 VanDerWaalsContact O-N 3.12Å; I101-L189 WeakPolarHBondContact O-CD1 3.42Å; L102-L189 HydrophobicContact CB-CD1 4.39Å; F187-L189 HydrophobicContact CE1-CB 4.25Å; L189-Q191 PolarHBondContact O-N 2.92Å; L189-Q191 VanDerWaalsContact O-N 3.14Å; L189-V206 HydrophobicContact CD1-CG1 3.85Å; L189-V206 HydrophobicContact CD1-CG2 4.41Å
190G90.7Very high85.6Confident0 Ų032 Ų320%018%0.177CC..SBendtrans67.48.7179.200000113.8R63 V100 I101 F199R63-G190 PolarHBondContact NH2-O 2.9Å; V100-G190 CarbonylContact O-C 3.45Å; V100-G190 WeakPolarHBondContact O-CA 3.4Å; I101-G190 PolarHBondContact O-N 3Å; G190-F199 WeakPolarHBondContact O-CB 3.35Å; G190-F199 PolarHBondContact O-N 2.95Å
191Q89.6Confident86Confident0 Ų027.8 Ų27.80%015%0.154CC..  trans-160.5156.418060.8-168.678.700110.8R63 V65 V100 W188 L189 S193 G197 F198R63-Q191 VanDerWaalsContact CG-OE1 3.26Å; R63-Q191 PolarHBondContact O-NE2 3.18Å; R63-Q191 PolarHBondContact O-OE1 2.83Å; V65-Q191 VanDerWaalsContact N-CD 3.31Å; V100-Q191 PolarHBondContact O-N 3.37Å; W188-Q191 HydrophobicContact CB-CG 4.46Å; W188-Q191 VanDerWaalsContact CB-O 3.25Å; W188-Q191 WeakPolarHBondContact CB-O 3.42Å; W188-Q191 HydrophobicContact CE3-CG 3.74Å; W188-Q191 HydrophobicContact CZ3-CG 4.43Å; L189-Q191 PolarHBondContact O-N 2.92Å; L189-Q191 VanDerWaalsContact O-N 3.14Å; Q191-S193 PolarHBondContact NE2-O 2.66Å; Q191-G197 WeakPolarHBondContact CA-O 3.22Å; Q191-F198 HydrophobicContact CB-CD1 4.12Å; Q191-F198 HydrophobicContact CB-CE1 4.45Å
192R85.8Confident86.5Confident13 Ų1328.6 Ų28.65%0.04916%0.159CC..SBendtrans-86.1-43173.4-179176.3-71.1152.55.7111.2V100 H105 E113 E115 H196V100-R192 HydrophobicContact CG2-CB 4.11Å; H105-R192 PolarHBondContact NE2-O 2.93Å; E113-R192 IonicContact OE1-CZ 3.9Å; E113-R192 IonicContact OE1-NE 3.43Å; E113-R192 PolarHBondContact OE1-NE 2.75Å; E113-R192 IonicContact OE1-NH2 2.68Å; E113-R192 PolarHBondContact OE1-NH2 2.91Å; E113-R192 WeakPolarHBondContact OE2-CG 3.47Å; E113-R192 IonicContact OE2-CZ 2.73Å; E113-R192 IonicContact OE2-NE 3.98Å; E113-R192 PolarHBondContact OE2-NE 3.15Å; E113-R192 IonicContact OE2-NH2 3.27Å; E115-R192 IonicContact OE2-CZ 2.72Å; E115-R192 IonicContact OE2-NH2 3.05Å; E115-R192 PolarHBondContact OE2-NH2 2.89Å; R192-H196 WeakPolarHBondContact CB-O 3.49Å; R192-H196 PolarHBondContact N-O 3.17Å; R192-H196 PolarHBondContact NH1-CE1 2.8Å
193S82.3Confident87Confident25 Ų2526.3 Ų26.318%0.17515%0.145CC..SBendtrans-148.6-174.3-178.969.40000109.8Q191 A195 H196Q191-S193 PolarHBondContact NE2-O 2.66Å; S193-A195 PolarHBondContact O-N 3.39Å; S193-A195 PolarHBondContact OG-N 2.88Å; S193-H196 PolarHBondContact N-O 2.71Å; S193-H196 PolarHBondContact OG-N 3.5Å
194S78.1Confident87.8Confident69 Ų6919.3 Ų19.348%0.48311%0.112SC..SBendtrans-67.2-14.9171.653.40000113.5F198S194-F198 WeakPolarHBondContact O-CZ 3.28Å
195A72.1Confident88.3Confident20 Ų2014.2 Ų14.217%0.1659%0.085CC..SBendtrans-113.1-20.6-174.300000114.3S193 F198 L700S193-A195 PolarHBondContact O-N 3.39Å; S193-A195 PolarHBondContact OG-N 2.88Å; A195-F198 WeakPolarHBondContact O-CE2 3.38Å; A195-L700 HydrophobicContact CB-CD2 3.9Å
196H77.8Confident88.6Confident6 Ų614 Ų143%0.0288%0.084CC..SBendtrans-144.7155.8-162.9-167-73.6000113.7R192 S193 V728R192-H196 WeakPolarHBondContact CB-O 3.49Å; R192-H196 PolarHBondContact N-O 3.17Å; R192-H196 PolarHBondContact NH1-CE1 2.8Å; S193-H196 PolarHBondContact N-O 2.71Å; S193-H196 PolarHBondContact OG-N 3.5Å; H196-V728 WeakPolarHBondContact NE2-CB 3.07Å; H196-V728 WeakPolarHBondContact NE2-CG1 3.42Å
197G82.5Confident88.8Confident8 Ų814.9 Ų14.98%0.0829%0.086CC..  trans82.326.2168.500000114.5V100 Q191 F199V100-G197 PolarHBondContact N-O 2.87Å; Q191-G197 WeakPolarHBondContact CA-O 3.22Å; G197-F199 PolarHBondContact O-N 3.12Å; G197-F199 VanDerWaalsContact O-N 3.15Å
198F88.4Confident88.8Confident24 Ų2414.9 Ų14.911%0.1059%0.086CC..  trans-67.5109.2-173.1-60.1-69.4000113.3S61 R63 N97 Q191 S194 A195S61-F198 WeakPolarHBondContact O-CE2 3.3Å; R63-F198 HydrophobicContact CG-CD1 3.8Å; R63-F198 HydrophobicContact CG-CE1 3.76Å; R63-F198 VanDerWaalsContact NH2-C 3.3Å; N97-F198 PolarHBondContact ND2-O 2.83Å; Q191-F198 HydrophobicContact CB-CD1 4.12Å; Q191-F198 HydrophobicContact CB-CE1 4.45Å; S194-F198 WeakPolarHBondContact O-CZ 3.28Å; A195-F198 WeakPolarHBondContact O-CE2 3.38Å
199F92.6Very high88.8Confident0 Ų014.2 Ų14.20%08%0.084CC..  trans-66.5129.6164.7179.7-88.8000111.9F58 R63 L91 Q93 V100 I101 G190 G197 M203F58-F199 HydrophobicContact CB-CD1 4.24Å; F58-F199 WeakPolarHBondContact CB-O 3.48Å; F58-F199 HydrophobicContact CD2-CD1 4.47Å; F58-F199 HydrophobicContact CG-CD1 4.45Å; R63-F199 PolarHBondContact NH1-O 2.89Å; R63-F199 PolarHBondContact NH2-O 2.99Å; L91-F199 HydrophobicContact CB-CZ 4.12Å; L91-F199 HydrophobicContact CD2-CE2 4.36Å; Q93-F199 HydrophobicContact CB-CE2 3.78Å; Q93-F199 HydrophobicContact CB-CZ 3.92Å; Q93-F199 HydrophobicContact CG-CD2 4.25Å; Q93-F199 HydrophobicContact CG-CE2 3.67Å; Q93-F199 HydrophobicContact CG-CZ 4.14Å; V100-F199 WeakPolarHBondContact O-CB 3.16Å; I101-F199 HydrophobicContact CG1-CD2 4.39Å; G190-F199 WeakPolarHBondContact O-CB 3.35Å; G190-F199 PolarHBondContact O-N 2.95Å; G197-F199 PolarHBondContact O-N 3.12Å; G197-F199 VanDerWaalsContact O-N 3.15Å; F199-M203 HydrophobicContact CB-CE 3.78Å; F199-M203 HydrophobicContact CD1-CE 3.15Å; F199-M203 HydrophobicContact CD1-CG 4.2Å; F199-M203 HydrophobicContact CD2-CE 3.68Å; F199-M203 HydrophobicContact CE1-CE 3.51Å; F199-M203 HydrophobicContact CE1-CG 3.64Å; F199-M203 HydrophobicContact CE1-SD 4.44Å; F199-M203 HydrophobicContact CE2-CE 4Å; F199-M203 HydrophobicContact CG-CE 3.23Å; F199-M203 HydrophobicContact CZ-CE 3.92Å; F199-M203 HydrophobicContact CZ-CG 4.01Å
200K91.2Very high88.7Confident45 Ų4515 Ų1520%0.1969%0.088CC..  trans-116.1127.3174.3-61.7178.7-176.1169.80109.9F58 E94 N97F58-K200 WeakPolarHBondContact O-CA 3.18Å; E94-K200 HydrophobicContact CB-CB 4.27Å; E94-K200 HydrophobicContact CG-CB 4.07Å; E94-K200 PolarHBondContact N-O 2.8Å; E94-K200 WeakPolarHBondContact OE2-CB 3.47Å; N97-K200 HydrophobicContact CB-CB 4.45Å; N97-K200 PolarHBondContact OD1-N 2.77Å
201G92.9Very high88.3Confident3 Ų317.2 Ų17.23%0.03110%0.099CC..EExtended strand (participates in β ladder)trans139-160.8-176.200000112.5H57 F58 K92H57-G201 CarbonylContact C-O 3.53Å; H57-G201 WeakPolarHBondContact CA-O 3.24Å; H57-G201 PolarHBondContact CD2-O 2.9Å; F58-G201 PolarHBondContact N-O 3.45Å; F58-G201 PolarHBondContact O-N 3.14Å; K92-G201 CarbonylContact O-C 3.53Å; K92-G201 WeakPolarHBondContact O-CA 3.22Å
202V94.7Very high87.6Confident19 Ų1918.4 Ų18.412%0.11511%0.107CC..EExtended strand (participates in β ladder)trans-111135.7-177.7-168.80000109.7V46 A55 F56 H57 L91 K92 W148V46-V202 HydrophobicContact CG2-CG1 3.63Å; V46-V202 HydrophobicContact CG2-CG2 4.21Å; A55-V202 HydrophobicContact CB-CG1 3.95Å; F56-V202 WeakPolarHBondContact O-CA 3.47Å; H57-V202 HydrophobicContact CB-CG2 4.35Å; L91-V202 CarbonylContact C-O 3.59Å; L91-V202 VanDerWaalsContact CA-O 3.3Å; L91-V202 WeakPolarHBondContact CA-O 3.2Å; K92-V202 HydrophobicContact CB-CB 4.41Å; K92-V202 PolarHBondContact N-O 3.29Å; K92-V202 PolarHBondContact O-N 2.78Å; W148-V202 HydrophobicContact CH2-CB 3.78Å; W148-V202 HydrophobicContact CH2-CG1 3.48Å; W148-V202 VanDerWaalsContact CH2-CG1 3.48Å; W148-V202 HydrophobicContact CZ2-CB 4.3Å; W148-V202 HydrophobicContact CZ2-CG1 4.16Å; W148-V202 HydrophobicContact CZ3-CB 4.39Å; W148-V202 HydrophobicContact CZ3-CG1 4.31Å
203M95.2Very high87.4Confident0 Ų022 Ų220%013%0.125CC..EExtended strand (participates in β ladder)trans-120146.1167.7-61.5-172-158.600110.9F31 A55 F56 F58 V89 T90 L91 I101 F199 V206F31-M203 HydrophobicContact CZ-CB 3.95Å; A55-M203 WeakPolarHBondContact CA-O 2.99Å; F56-M203 PolarHBondContact N-O 3.32Å; F56-M203 PolarHBondContact O-N 2.79Å; F58-M203 HydrophobicContact CD2-CG 4.36Å; F58-M203 HydrophobicContact CE2-CB 4Å; F58-M203 HydrophobicContact CE2-CG 4.11Å; F58-M203 HydrophobicContact CE2-SD 4.31Å; V89-M203 HydrophobicContact CG2-SD 4.45Å; T90-M203 CarbonylContact O-C 3.5Å; T90-M203 WeakPolarHBondContact O-CA 3.32Å; L91-M203 HydrophobicContact CB-CG 4.21Å; I101-M203 HydrophobicContact CB-CE 4.42Å; I101-M203 HydrophobicContact CG2-CE 4.2Å; I101-M203 HydrophobicContact CG2-SD 4.13Å; F199-M203 HydrophobicContact CB-CE 3.78Å; F199-M203 HydrophobicContact CD1-CE 3.15Å; F199-M203 HydrophobicContact CD1-CG 4.2Å; F199-M203 HydrophobicContact CD2-CE 3.68Å; F199-M203 HydrophobicContact CE1-CE 3.51Å; F199-M203 HydrophobicContact CE1-CG 3.64Å; F199-M203 HydrophobicContact CE1-SD 4.44Å; F199-M203 HydrophobicContact CE2-CE 4Å; F199-M203 HydrophobicContact CG-CE 3.23Å; F199-M203 HydrophobicContact CZ-CE 3.92Å; F199-M203 HydrophobicContact CZ-CG 4.01Å; M203-V206 HydrophobicContact CB-CG2 4.06Å; M203-V206 HydrophobicContact SD-CG2 4.07Å
204Q93.7Very high87.2Confident0 Ų020.9 Ų20.90%012%0.117CC..EExtended strand (participates in β ladder)trans-140.7150.5176.6-166.1170.51300108.7G48 H50 S53 A55 T90 W148 V206G48-Q204 VanDerWaalsContact CA-OE1 3.28Å; H50-Q204 PolarHBondContact ND1-NE2 2.8Å; H50-Q204 PolarHBondContact O-NE2 2.88Å; S53-Q204 PolarHBondContact O-NE2 2.85Å; S53-Q204 VanDerWaalsContact OG-CG 3.24Å; S53-Q204 WeakPolarHBondContact OG-CG 3.28Å; S53-Q204 PolarHBondContact OG-NE2 3.44Å; A55-Q204 HydrophobicContact CB-CB 3.96Å; A55-Q204 HydrophobicContact CB-CG 4.03Å; T90-Q204 WeakPolarHBondContact CA-O 3.08Å; T90-Q204 WeakPolarHBondContact CB-O 2.98Å; T90-Q204 PolarHBondContact N-O 3.46Å; T90-Q204 PolarHBondContact O-N 2.89Å; W148-Q204 HydrophobicContact CZ3-CB 4.44Å; Q204-V206 PolarHBondContact O-N 3.04Å
205D91.8Very high87.4Confident25 Ų2519.4 Ų19.413%0.13410%0.102CC..EExtended strand (participates in β ladder)trans53.542.2174.5-46.7-48000115.7H50 S53 T90 Q207H50-D205 IonicContact CE1-OD1 3.51Å; H50-D205 IonicContact CE1-OD2 2.78Å; H50-D205 IonicContact NE2-OD1 3.88Å; H50-D205 IonicContact NE2-OD2 2.74Å; H50-D205 PolarHBondContact NE2-OD2 2.95Å; S53-D205 WeakPolarHBondContact CB-OD1 3.3Å; S53-D205 PolarHBondContact OG-OD1 3.45Å; T90-D205 PolarHBondContact OG1-OD2 3.4Å; D205-Q207 PolarHBondContact O-N 2.94Å; D205-Q207 VanDerWaalsContact O-N 3.17Å
206V93.9Very high87.8Confident0 Ų020.6 Ų20.60%011%0.105CC..EExtended strand (participates in β ladder)trans-72.9109.4175.4-172.50000109.6V30 F31 V88 V89 L189 M203 Q204V30-V206 HydrophobicContact CB-CB 4.19Å; V30-V206 HydrophobicContact CB-CG1 3.99Å; V30-V206 WeakPolarHBondContact CB-O 3.36Å; V30-V206 HydrophobicContact CG1-CG1 4.47Å; V30-V206 HydrophobicContact CG2-CB 4.5Å; V30-V206 HydrophobicContact CG2-CG1 3.88Å; V30-V206 PolarHBondContact N-O 3.46Å; F31-V206 HydrophobicContact CE1-CG2 4.13Å; F31-V206 HydrophobicContact CE2-CB 4.46Å; F31-V206 HydrophobicContact CE2-CG2 3.9Å; F31-V206 HydrophobicContact CZ-CB 4.41Å; F31-V206 HydrophobicContact CZ-CG2 3.62Å; V88-V206 WeakPolarHBondContact O-CA 3.46Å; V89-V206 HydrophobicContact CG2-CG2 3.87Å; L189-V206 HydrophobicContact CD1-CG1 3.85Å; L189-V206 HydrophobicContact CD1-CG2 4.41Å; M203-V206 HydrophobicContact CB-CG2 4.06Å; M203-V206 HydrophobicContact SD-CG2 4.07Å; Q204-V206 PolarHBondContact O-N 3.04Å
207Q93.5Very high88Confident39 Ų3922.9 Ų22.918%0.18212%0.121CC..EExtended strand (participates in β ladder)trans-136.2146.6-176.3-61.4179.2400111.9I28 N29 V88 D205 L209I28-Q207 CarbonylContact O-C 3.07Å; I28-Q207 VanDerWaalsContact O-CA 3.25Å; I28-Q207 WeakPolarHBondContact O-CA 3.38Å; N29-Q207 HydrophobicContact CB-CG 4.46Å; V88-Q207 HydrophobicContact CB-CB 4.42Å; V88-Q207 PolarHBondContact N-O 3.34Å; V88-Q207 PolarHBondContact O-N 3.32Å; D205-Q207 PolarHBondContact O-N 2.94Å; D205-Q207 VanDerWaalsContact O-N 3.17Å; Q207-L209 HydrophobicContact CB-CD2 4.5Å
208I93.2Very high88Confident0 Ų023.4 Ų23.40%012%0.122CC..EExtended strand (participates in β ladder)trans-116.9118.8166.8-49.7176000108I28 L79 F85 V87 L102 F187I28-I208 HydrophobicContact CB-CB 4.22Å; I28-I208 HydrophobicContact CD1-CB 4.28Å; I28-I208 PolarHBondContact N-O 2.83Å; I28-I208 PolarHBondContact O-N 3.21Å; L79-I208 HydrophobicContact CD1-CD1 4.06Å; L79-I208 HydrophobicContact CD1-CG2 4.19Å; L79-I208 HydrophobicContact CD2-CG2 3.71Å; L79-I208 HydrophobicContact CG-CG2 4.48Å; F85-I208 HydrophobicContact CD2-CG2 4.29Å; V87-I208 HydrophobicContact CG2-CG1 4.45Å; V87-I208 HydrophobicContact CG2-CG2 4.49Å; L102-I208 HydrophobicContact CD2-CD1 4.38Å; F187-I208 HydrophobicContact CE2-CD1 4.03Å
209L92.7Very high87.7Confident2 Ų222.6 Ų22.61%0.0112%0.119CC..EExtended strand (participates in β ladder)trans-107.2123.1-176.7-57.5177.1000108.9V22 C27 F85 T86 V88 Q207 M211 G214 S217V22-L209 HydrophobicContact CG1-CD2 4.42Å; C27-L209 HydrophobicContact CB-CD2 3.85Å; C27-L209 VanDerWaalsContact SG-CD2 3.51Å; F85-L209 CarbonylContact C-O 3.51Å; F85-L209 WeakPolarHBondContact CA-O 3.44Å; F85-L209 WeakPolarHBondContact CB-O 3.43Å; T86-L209 PolarHBondContact N-O 3.27Å; T86-L209 PolarHBondContact O-N 2.82Å; V88-L209 HydrophobicContact CG2-CD1 3.94Å; V88-L209 HydrophobicContact CG2-CG 4.41Å; Q207-L209 HydrophobicContact CB-CD2 4.5Å; L209-M211 HydrophobicContact CB-CG 3.98Å; L209-M211 PolarHBondContact O-N 3.38Å; L209-G214 VanDerWaalsContact CD1-O 3.31Å; L209-G214 WeakPolarHBondContact CD1-O 3.42Å; L209-S217 WeakPolarHBondContact CD1-OG 3.49Å
210V89.6Confident86.8Confident16 Ų1626.5 Ų26.510%0.09715%0.145CC..SBendtrans-81.862.5-179.5-170.30000110.2L26 L79 R82L26-V210 HydrophobicContact CD2-CB 4.14Å; L26-V210 HydrophobicContact CD2-CG1 4.47Å; L26-V210 PolarHBondContact O-N 3.4Å; L79-V210 HydrophobicContact CD2-CG2 4.13Å; R82-V210 HydrophobicContact CB-CG1 4.03Å; R82-V210 HydrophobicContact CG-CG1 3.61Å
211M83.6Confident85.7Confident47 Ų4729.4 Ų29.423%0.23216%0.162CC..SBendtrans-161.2142.7178.154.2-171-69.700109.3V22 T86 L209 Q213 G214V22-M211 HydrophobicContact CG1-SD 4.14Å; T86-M211 PolarHBondContact N-O 2.03Å; T86-M211 PolarHBondContact OG1-O 2.97Å; L209-M211 HydrophobicContact CB-CG 3.98Å; L209-M211 PolarHBondContact O-N 3.38Å; M211-Q213 VanDerWaalsContact C-N 3.34Å; M211-Q213 HydrophobicContact CE-CG 3.7Å; M211-Q213 PolarHBondContact O-N 2.82Å; M211-G214 PolarHBondContact O-N 3.31Å
212P73.8Confident84.2Confident26 Ų2631.3 Ų31.317%0.16917%0.172CC..THydrogen-bonded Turntrans-73-26.5-176.124.8-28000113.1E84 T86 A154 G214E84-P212 HydrophobicContact CB-CB 4.21Å; E84-P212 HydrophobicContact CB-CG 4.16Å; E84-P212 HydrophobicContact CG-CG 4.44Å; E84-P212 WeakPolarHBondContact OE2-CD 3.32Å; E84-P212 WeakPolarHBondContact OE2-CG 3.13Å; T86-P212 PolarHBondContact OG1-O 2.92Å; T86-P212 VanDerWaalsContact OG1-O 3.1Å; A154-P212 WeakPolarHBondContact CB-O 3.39Å; P212-G214 VanDerWaalsContact C-N 3.3Å; P212-G214 PolarHBondContact O-N 3.39Å
213Q81.4Confident82.2Confident89 Ų8936 Ų3642%0.41620%0.196SC..THydrogen-bonded Turntrans-91.928.1175.368.2-81.715.800113.8M211 F215 I216M211-Q213 VanDerWaalsContact C-N 3.34Å; M211-Q213 HydrophobicContact CE-CG 3.7Å; M211-Q213 PolarHBondContact O-N 2.82Å; Q213-F215 HydrophobicContact CB-CE1 4.09Å; Q213-F215 HydrophobicContact CB-CZ 4.17Å; Q213-F215 PolarHBondContact O-N 3.46Å; Q213-I216 HydrophobicContact CB-CD1 3.8Å; Q213-I216 HydrophobicContact CB-CG1 4.38Å; Q213-I216 HydrophobicContact CG-CD1 3.9Å; Q213-I216 WeakPolarHBondContact O-CB 3.38Å; Q213-I216 WeakPolarHBondContact O-CG1 3.46Å; Q213-I216 PolarHBondContact O-N 3.12Å
214G79Confident79.9Confident1 Ų146.1 Ų46.11%0.0123%0.234CC..G310 helixtrans-62-21.8179.300000114T86 L209 M211 P212 I216 S217T86-G214 PolarHBondContact OG1-N 3.11Å; L209-G214 VanDerWaalsContact CD1-O 3.31Å; L209-G214 WeakPolarHBondContact CD1-O 3.42Å; M211-G214 PolarHBondContact O-N 3.31Å; P212-G214 VanDerWaalsContact C-N 3.3Å; P212-G214 PolarHBondContact O-N 3.39Å; G214-I216 PolarHBondContact O-N 3.07Å; G214-S217 WeakPolarHBondContact O-CB 3.16Å; G214-S217 PolarHBondContact O-N 2.77Å; G214-S217 PolarHBondContact O-OG 3.4Å
215F81Confident77.6Confident37 Ų3749.6 Ų49.616%0.16226%0.255CS..G310 helixtrans-59.3-21.9177.159.9-101.3000113.3S152 A154 H163 Q213 S217 Q218 C219 L222S152-F215 VanDerWaalsContact OG-CB 3.26Å; S152-F215 WeakPolarHBondContact OG-CB 3.1Å; A154-F215 HydrophobicContact CB-CD1 4.32Å; H163-F215 AromaticContact CE1-CD1 3.84Å; Q213-F215 HydrophobicContact CB-CE1 4.09Å; Q213-F215 HydrophobicContact CB-CZ 4.17Å; Q213-F215 PolarHBondContact O-N 3.46Å; F215-S217 PolarHBondContact O-N 2.76Å; F215-Q218 PolarHBondContact O-N 3.37Å; F215-C219 PolarHBondContact O-N 3.3Å; F215-C219 VanDerWaalsContact O-N 3.13Å; F215-L222 HydrophobicContact CD2-CB 4.38Å; F215-L222 HydrophobicContact CD2-CD2 3.38Å; F215-L222 HydrophobicContact CD2-CG 4.46Å; F215-L222 HydrophobicContact CE2-CB 4.24Å; F215-L222 HydrophobicContact CE2-CD2 3.34Å; F215-L222 HydrophobicContact CE2-CG 4.26Å; F215-L222 HydrophobicContact CG-CD2 4.37Å; F215-L222 HydrophobicContact CZ-CD2 4.28Å
216I80.9Confident75.2Confident45 Ų4552.1 Ų52.123%0.23127%0.274CS..G310 helixtrans-62.4-26.5177.1-61.8175.1000111.1Q213 G214 Q218 C219 P220 N223Q213-I216 HydrophobicContact CB-CD1 3.8Å; Q213-I216 HydrophobicContact CB-CG1 4.38Å; Q213-I216 HydrophobicContact CG-CD1 3.9Å; Q213-I216 WeakPolarHBondContact O-CB 3.38Å; Q213-I216 WeakPolarHBondContact O-CG1 3.46Å; Q213-I216 PolarHBondContact O-N 3.12Å; G214-I216 PolarHBondContact O-N 3.07Å; I216-Q218 VanDerWaalsContact C-N 3.33Å; I216-Q218 PolarHBondContact O-N 2.79Å; I216-C219 CarbonylContact O-C 3.2Å; I216-C219 VanDerWaalsContact O-C 3.27Å; I216-C219 PolarHBondContact O-N 3.45Å; I216-P220 WeakPolarHBondContact O-CA 3.22Å; I216-P220 VanDerWaalsContact O-N 3.15Å; I216-N223 HydrophobicContact CD1-CB 4.21Å
217S82.9Confident72.7Confident54 Ų5458.5 Ų58.538%0.37832%0.315SS..G310 helixtrans-63.6-37.317869.50000112.6L209 G214 F215L209-S217 WeakPolarHBondContact CD1-OG 3.49Å; G214-S217 WeakPolarHBondContact O-CB 3.16Å; G214-S217 PolarHBondContact O-N 2.77Å; G214-S217 PolarHBondContact O-OG 3.4Å; F215-S217 PolarHBondContact O-N 2.76Å
218Q82.3Confident70.2Confident19 Ų1959.5 Ų59.59%0.08933%0.325CS..THydrogen-bonded Turntrans-83.4-29175.4-91.5-177.5-14.200113.1V88 V89 T90 K150 V151 F215 I216V88-Q218 HydrophobicContact CG1-CB 4.34Å; V88-Q218 HydrophobicContact CG1-CG 3.35Å; V89-Q218 PolarHBondContact O-NE2 2.77Å; T90-Q218 PolarHBondContact OG1-NE2 3.29Å; K150-Q218 PolarHBondContact NZ-O 2.92Å; V151-Q218 PolarHBondContact O-OE1 3.1Å; F215-Q218 PolarHBondContact O-N 3.37Å; I216-Q218 VanDerWaalsContact C-N 3.33Å; I216-Q218 PolarHBondContact O-N 2.79Å
219C82Confident68.2Low8 Ų861.7 Ų61.75%0.05434%0.339CS..  trans-137.273.8-169.2-57.30000110.8C166 F215 I216 D221 L222C166-C219 WeakPolarHBondContact CA-SG 3.39Å; C166-C219 HydrophobicContact CB-CB 3.69Å; C166-C219 WeakPolarHBondContact CB-SG 3.4Å; C166-C219 WeakPolarHBondContact SG-CB 3.02Å; C166-C219 CovalentContact SG-SG 2.03Å; C166-C219 PolarHBondContact SG-SG 2.98Å; F215-C219 PolarHBondContact O-N 3.3Å; F215-C219 VanDerWaalsContact O-N 3.13Å; I216-C219 CarbonylContact O-C 3.2Å; I216-C219 VanDerWaalsContact O-C 3.27Å; I216-C219 PolarHBondContact O-N 3.45Å; C219-D221 PolarHBondContact O-N 2.86Å; C219-L222 HydrophobicContact CB-CB 4.32Å; C219-L222 WeakPolarHBondContact O-CB 3.49Å; C219-L222 PolarHBondContact O-N 2.79Å; C219-L222 VanDerWaalsContact O-N 3.09Å
220P74.4Confident65.8Low82 Ų8269.2 Ų69.253%0.53238%0.38SS..G310 helixtrans-63.5-25.9-176.123-33000113.3I216 L222 N223I216-P220 WeakPolarHBondContact O-CA 3.22Å; I216-P220 VanDerWaalsContact O-N 3.15Å; P220-L222 VanDerWaalsContact C-N 3.29Å; P220-L222 PolarHBondContact O-N 3.24Å; P220-N223 PolarHBondContact O-N 3.09Å
221D66.8Low63.8Low105 Ų10574.4 Ų74.456%0.56141%0.407SS*.G310 helixtrans-76.1-11.8177.9-66.5-50.9000113.8C219 N223 R224 T225C219-D221 PolarHBondContact O-N 2.86Å; D221-N223 PolarHBondContact O-N 2.8Å; D221-R224 WeakPolarHBondContact O-CB 3.37Å; D221-R224 PolarHBondContact O-N 2.82Å; D221-T225 PolarHBondContact O-N 2.6Å; D221-T225 PolarHBondContact O-OG1 3.11Å
222L62.7Low61.9Low44 Ų4477 Ų7723%0.2342%0.417CS..G310 helixtrans-64.8-23.9173.4-14577.1000111.7C166 F215 C219 P220 T225C166-L222 WeakPolarHBondContact O-CD1 3.5Å; F215-L222 HydrophobicContact CD2-CB 4.38Å; F215-L222 HydrophobicContact CD2-CD2 3.38Å; F215-L222 HydrophobicContact CD2-CG 4.46Å; F215-L222 HydrophobicContact CE2-CB 4.24Å; F215-L222 HydrophobicContact CE2-CD2 3.34Å; F215-L222 HydrophobicContact CE2-CG 4.26Å; F215-L222 HydrophobicContact CG-CD2 4.37Å; F215-L222 HydrophobicContact CZ-CD2 4.28Å; C219-L222 HydrophobicContact CB-CB 4.32Å; C219-L222 WeakPolarHBondContact O-CB 3.49Å; C219-L222 PolarHBondContact O-N 2.79Å; C219-L222 VanDerWaalsContact O-N 3.09Å; P220-L222 VanDerWaalsContact C-N 3.29Å; P220-L222 PolarHBondContact O-N 3.24Å; L222-T225 PolarHBondContact O-OG1 3.34Å
223N51.6Low60.7Low117 Ų11782.8 Ų82.863%0.62644%0.441SS*.G310 helixtrans-85.7-13.6174.5-156.321.2000112.9I216 P220 D221 T225I216-N223 HydrophobicContact CD1-CB 4.21Å; P220-N223 PolarHBondContact O-N 3.09Å; D221-N223 PolarHBondContact O-N 2.8Å; N223-T225 VanDerWaalsContact C-N 3.28Å
224R46.8Very low59.2Low212 Ų21280.2 Ų80.280%0.844%0.439SS*.THydrogen-bonded Turntrans-81.3-12.4170.1-82.2-178.3159.9-176.6-4.7112.7D221D221-R224 WeakPolarHBondContact O-CB 3.37Å; D221-R224 PolarHBondContact O-N 2.82Å
225T45.8Very low57.8Low73 Ų7384.5 Ų84.545%0.44846%0.461SS..SBendtrans-102.294.6165.132.80000107.5D221 L222 N223 C229D221-T225 PolarHBondContact O-N 2.6Å; D221-T225 PolarHBondContact O-OG1 3.11Å; L222-T225 PolarHBondContact O-OG1 3.34Å; N223-T225 VanDerWaalsContact C-N 3.28Å; T225-C229 HydrophobicContact CG2-CB 3.86Å
226C41.6Very low56.8Low79 Ų7985 Ų8553%0.53447%0.467SS..  trans-41.8147.2166.3-1300000109.4T228 C229C226-T228 CarbonylContact O-C 3.43Å; C226-T228 PolarHBondContact O-N 2.86Å; C226-C229 PolarHBondContact O-N 3.23Å
227P40.2Very low55.7Low133 Ų13388.7 Ų88.786%0.86448%0.483SS*.THydrogen-bonded Turntrans-60-2.4179.624.5-34.2000113.9
228T42.9Very low54.6Low61 Ų6192 Ų9237%0.37449%0.491SS..THydrogen-bonded Turntrans-88-8166.853.80000114.3C226 N230 D231 F232C226-T228 CarbonylContact O-C 3.43Å; C226-T228 PolarHBondContact O-N 2.86Å; T228-N230 PolarHBondContact O-N 2.86Å; T228-N230 VanDerWaalsContact O-N 3.16Å; T228-D231 CarbonylContact O-C 3.56Å; T228-D231 WeakPolarHBondContact O-CA 3.42Å; T228-D231 WeakPolarHBondContact O-CB 3.41Å; T228-D231 PolarHBondContact O-N 3.48Å; T228-F232 VanDerWaalsContact O-CA 3.31Å; T228-F232 WeakPolarHBondContact O-CA 3.19Å; T228-F232 WeakPolarHBondContact O-CB 3.25Å; T228-F232 PolarHBondContact O-N 3.43Å
229C49.8Very low54.1Low46 Ų4694.4 Ų94.431%0.31150%0.504SS..Hα-helixtrans-64.3-30.1-162.5-87.10000117.3T225 C226 F232 H233T225-C229 HydrophobicContact CG2-CB 3.86Å; C226-C229 PolarHBondContact O-N 3.23Å; C229-F232 PolarHBondContact O-N 3.3Å; C229-H233 PolarHBondContact O-N 3.02Å; C229-H233 VanDerWaalsContact O-N 3.12Å
230N43Very low53.4Low160 Ų16099.8 Ų99.886%0.85653%0.529SS*.Hα-helixtrans-75.9-32.7169.2-132.315.4000111.4T228 F232T228-N230 PolarHBondContact O-N 2.86Å; T228-N230 VanDerWaalsContact O-N 3.16Å; N230-F232 VanDerWaalsContact C-N 3.33Å
231D47.1Very low53.2Low125 Ų12599.8 Ų99.867%0.66852%0.522SS*.Hα-helixtrans-77.6-7.8167.4-82.6-25000114T228 L235T228-D231 CarbonylContact O-C 3.56Å; T228-D231 WeakPolarHBondContact O-CA 3.42Å; T228-D231 WeakPolarHBondContact O-CB 3.41Å; T228-D231 PolarHBondContact O-N 3.48Å; D231-L235 WeakPolarHBondContact O-CA 3.38Å; D231-L235 WeakPolarHBondContact O-CB 3.46Å; D231-L235 PolarHBondContact O-N 2.81Å
232F45Very low53.3Low101 Ų10199.8 Ų99.844%0.44352%0.522SS..Hα-helixtrans-103.7-30-172.1-168-98.6000107.9T228 C229 N230 G234 L235 V236T228-F232 VanDerWaalsContact O-CA 3.31Å; T228-F232 WeakPolarHBondContact O-CA 3.19Å; T228-F232 WeakPolarHBondContact O-CB 3.25Å; T228-F232 PolarHBondContact O-N 3.43Å; C229-F232 PolarHBondContact O-N 3.3Å; N230-F232 VanDerWaalsContact C-N 3.33Å; F232-G234 VanDerWaalsContact C-N 3.29Å; F232-L235 HydrophobicContact CD2-CD2 4.5Å; F232-V236 HydrophobicContact CD1-CG2 3.45Å; F232-V236 VanDerWaalsContact CD1-CG2 3.45Å; F232-V236 HydrophobicContact CD2-CG2 4.37Å; F232-V236 HydrophobicContact CE1-CG2 3.3Å; F232-V236 HydrophobicContact CE2-CG2 4.25Å; F232-V236 HydrophobicContact CG-CG2 4Å; F232-V236 HydrophobicContact CZ-CG2 3.73Å; F232-V236 WeakPolarHBondContact O-CA 3.05Å; F232-V236 WeakPolarHBondContact O-CB 3.18Å; F232-V236 WeakPolarHBondContact O-CG2 3.31Å; F232-V236 PolarHBondContact O-N 3.03Å
233H46.7Very low53.8Low147 Ų147103.4 Ų103.468%0.68154%0.537SS*.Hα-helixtrans-63.4-41.7158.3-112-71.6000110.4C229 Q237C229-H233 PolarHBondContact O-N 3.02Å; C229-H233 VanDerWaalsContact O-N 3.12Å; H233-Q237 WeakPolarHBondContact O-CB 3.35Å; H233-Q237 PolarHBondContact O-N 3.19Å
234G50.7Low54.9Low35 Ų35101.6 Ų101.636%0.36153%0.528SS..Hα-helixtrans-62.9-47.5171.700000113.3F232 Q237 K238F232-G234 VanDerWaalsContact C-N 3.29Å; G234-Q237 PolarHBondContact O-N 3.06Å; G234-K238 VanDerWaalsContact O-CB 3.28Å; G234-K238 WeakPolarHBondContact O-CB 3.33Å; G234-K238 WeakPolarHBondContact O-CG 3.22Å; G234-K238 PolarHBondContact O-N 3.4Å
235L50.8Low56.1Low91 Ų9196 Ų9648%0.47651%0.513SS..Hα-helixtrans-73.9-35.6-179.2-166.589.4000111.6D231 F232 K238 I239D231-L235 WeakPolarHBondContact O-CA 3.38Å; D231-L235 WeakPolarHBondContact O-CB 3.46Å; D231-L235 PolarHBondContact O-N 2.81Å; F232-L235 HydrophobicContact CD2-CD2 4.5Å; L235-K238 CarbonylContact O-C 3.31Å; L235-K238 PolarHBondContact O-N 2.98Å; L235-I239 HydrophobicContact CD2-CD1 3.66Å; L235-I239 HydrophobicContact CG-CD1 3.67Å; L235-I239 HydrophobicContact CG-CG1 4.16Å; L235-I239 WeakPolarHBondContact O-CA 3.14Å; L235-I239 WeakPolarHBondContact O-CB 3.2Å; L235-I239 WeakPolarHBondContact O-CD1 3.34Å; L235-I239 WeakPolarHBondContact O-CG1 3.46Å; L235-I239 PolarHBondContact O-N 3.49Å
236V58.2Low57.5Low47 Ų4797.2 Ų97.229%0.28552%0.516SS..Hα-helixtrans-68.7-40.6172.9170.20000109.5F232 K238 I239 M240F232-V236 HydrophobicContact CD1-CG2 3.45Å; F232-V236 VanDerWaalsContact CD1-CG2 3.45Å; F232-V236 HydrophobicContact CD2-CG2 4.37Å; F232-V236 HydrophobicContact CE1-CG2 3.3Å; F232-V236 HydrophobicContact CE2-CG2 4.25Å; F232-V236 HydrophobicContact CG-CG2 4Å; F232-V236 HydrophobicContact CZ-CG2 3.73Å; F232-V236 WeakPolarHBondContact O-CA 3.05Å; F232-V236 WeakPolarHBondContact O-CB 3.18Å; F232-V236 WeakPolarHBondContact O-CG2 3.31Å; F232-V236 PolarHBondContact O-N 3.03Å; V236-K238 VanDerWaalsContact C-N 3.32Å; V236-K238 PolarHBondContact O-N 2.83Å; V236-I239 PolarHBondContact O-N 2.91Å; V236-M240 HydrophobicContact CG1-CG 4.22Å; V236-M240 HydrophobicContact CG1-SD 4.07Å; V236-M240 VanDerWaalsContact O-CB 3.25Å; V236-M240 WeakPolarHBondContact O-CB 2.97Å; V236-M240 WeakPolarHBondContact O-CG 3.46Å; V236-M240 PolarHBondContact O-N 2.82Å
237Q57.7Low59.1Low123 Ų12396.2 Ų96.258%0.57551%0.513SS*.Hα-helixtrans-64.7-39.6172.9-169.5162.6-1400111.1H233 G234 M240 E241H233-Q237 WeakPolarHBondContact O-CB 3.35Å; H233-Q237 PolarHBondContact O-N 3.19Å; G234-Q237 PolarHBondContact O-N 3.06Å; Q237-M240 PolarHBondContact O-N 3.38Å; Q237-E241 WeakPolarHBondContact O-CB 3.39Å; Q237-E241 VanDerWaalsContact O-CG 3.32Å; Q237-E241 WeakPolarHBondContact O-CG 3.48Å; Q237-E241 PolarHBondContact O-N 2.86Å
238K59.8Low60.8Low124 Ų12495.5 Ų95.554%0.53950%0.497SS..Hα-helixtrans-70.1-34173.6-72.4-76.1164.2-148.90113.3G234 L235 V236 E241 L242G234-K238 VanDerWaalsContact O-CB 3.28Å; G234-K238 WeakPolarHBondContact O-CB 3.33Å; G234-K238 WeakPolarHBondContact O-CG 3.22Å; G234-K238 PolarHBondContact O-N 3.4Å; L235-K238 CarbonylContact O-C 3.31Å; L235-K238 PolarHBondContact O-N 2.98Å; V236-K238 VanDerWaalsContact C-N 3.32Å; V236-K238 PolarHBondContact O-N 2.83Å; K238-E241 IonicContact NZ-OE2 3.23Å; K238-E241 PolarHBondContact NZ-OE2 2.89Å; K238-E241 CarbonylContact O-C 3.58Å; K238-L242 VanDerWaalsContact O-CB 3.26Å; K238-L242 WeakPolarHBondContact O-CB 3.47Å; K238-L242 PolarHBondContact O-N 2.85Å
239I72Confident62.2Low70 Ų7095.9 Ų95.936%0.35950%0.499SS..Hα-helixtrans-74.8-36.8176-76165.2000109.3L235 V236 L242 Q243L235-I239 HydrophobicContact CD2-CD1 3.66Å; L235-I239 HydrophobicContact CG-CD1 3.67Å; L235-I239 HydrophobicContact CG-CG1 4.16Å; L235-I239 WeakPolarHBondContact O-CA 3.14Å; L235-I239 WeakPolarHBondContact O-CB 3.2Å; L235-I239 WeakPolarHBondContact O-CD1 3.34Å; L235-I239 WeakPolarHBondContact O-CG1 3.46Å; L235-I239 PolarHBondContact O-N 3.49Å; V236-I239 PolarHBondContact O-N 2.91Å; I239-L242 CarbonylContact O-C 3.59Å; I239-L242 PolarHBondContact O-N 3.14Å; I239-Q243 HydrophobicContact CG2-CG 4.17Å; I239-Q243 WeakPolarHBondContact O-CA 3.32Å; I239-Q243 WeakPolarHBondContact O-CB 3.13Å; I239-Q243 WeakPolarHBondContact O-CG 3.36Å; I239-Q243 PolarHBondContact O-N 2.86Å
240M67.5Low63.6Low120 Ų12097.1 Ų97.159%0.59151%0.508SS*.Hα-helixtrans-68.1-39.2171.7-73.5-175.775.900110.6V236 Q237 Q243 D244V236-M240 HydrophobicContact CG1-CG 4.22Å; V236-M240 HydrophobicContact CG1-SD 4.07Å; V236-M240 VanDerWaalsContact O-CB 3.25Å; V236-M240 WeakPolarHBondContact O-CB 2.97Å; V236-M240 WeakPolarHBondContact O-CG 3.46Å; V236-M240 PolarHBondContact O-N 2.82Å; Q237-M240 PolarHBondContact O-N 3.38Å; M240-Q243 PolarHBondContact O-N 3.37Å; M240-D244 VanDerWaalsContact O-CB 3.28Å; M240-D244 WeakPolarHBondContact O-CB 3.45Å; M240-D244 PolarHBondContact O-N 2.76Å
241E70.1Confident65.3Low83 Ų8392.5 Ų92.539%0.38849%0.489SS..Hα-helixtrans-63.3-43.1168.7-79175.6-179.500111.4Q237 K238 D244 I245Q237-E241 WeakPolarHBondContact O-CB 3.39Å; Q237-E241 VanDerWaalsContact O-CG 3.32Å; Q237-E241 WeakPolarHBondContact O-CG 3.48Å; Q237-E241 PolarHBondContact O-N 2.86Å; K238-E241 IonicContact NZ-OE2 3.23Å; K238-E241 PolarHBondContact NZ-OE2 2.89Å; K238-E241 CarbonylContact O-C 3.58Å; E241-D244 PolarHBondContact O-N 3.03Å; E241-I245 WeakPolarHBondContact O-CB 3.17Å; E241-I245 WeakPolarHBondContact O-CD1 3.35Å; E241-I245 WeakPolarHBondContact O-CG1 3.49Å; E241-I245 PolarHBondContact O-N 2.82Å
242L69.2Low66.7Low104 Ų10493.8 Ų93.855%0.54549%0.488SS..Hα-helixtrans-71.1-32.2178.7-135.5109.8000111.7K238 I239 L246K238-L242 VanDerWaalsContact O-CB 3.26Å; K238-L242 WeakPolarHBondContact O-CB 3.47Å; K238-L242 PolarHBondContact O-N 2.85Å; I239-L242 CarbonylContact O-C 3.59Å; I239-L242 PolarHBondContact O-N 3.14Å; L242-L246 HydrophobicContact CD2-CD1 4.03Å; L242-L246 WeakPolarHBondContact O-CA 3.32Å; L242-L246 WeakPolarHBondContact O-CB 3.47Å; L242-L246 WeakPolarHBondContact O-CD1 3.36Å; L242-L246 VanDerWaalsContact O-CG 3.23Å; L242-L246 WeakPolarHBondContact O-CG 3.44Å; L242-L246 PolarHBondContact O-N 3.46Å
243Q72.9Confident68Low120 Ų12093.8 Ų93.856%0.56149%0.492SS*.Hα-helixtrans-73.6-36.1173.7-81.5179.9-15.900110.6I239 M240 L246 A247I239-Q243 HydrophobicContact CG2-CG 4.17Å; I239-Q243 WeakPolarHBondContact O-CA 3.32Å; I239-Q243 WeakPolarHBondContact O-CB 3.13Å; I239-Q243 WeakPolarHBondContact O-CG 3.36Å; I239-Q243 PolarHBondContact O-N 2.86Å; M240-Q243 PolarHBondContact O-N 3.37Å; Q243-L246 PolarHBondContact O-N 3.38Å; Q243-A247 WeakPolarHBondContact O-CA 3.35Å; Q243-A247 WeakPolarHBondContact O-CB 3.38Å; Q243-A247 PolarHBondContact O-N 2.8Å
244D74.4Confident69.5Low79 Ų7989.4 Ų89.442%0.42248%0.478SS..Hα-helixtrans-67.9-41.3170.8-17861.3000110.7M240 E241 A247 K248M240-D244 VanDerWaalsContact O-CB 3.28Å; M240-D244 WeakPolarHBondContact O-CB 3.45Å; M240-D244 PolarHBondContact O-N 2.76Å; E241-D244 PolarHBondContact O-N 3.03Å; D244-A247 PolarHBondContact O-N 3.35Å; D244-K248 VanDerWaalsContact O-CB 3.24Å; D244-K248 WeakPolarHBondContact O-CB 3.4Å; D244-K248 WeakPolarHBondContact O-CG 3.38Å; D244-K248 PolarHBondContact O-N 3.27Å; D244-K248 IonicContact OD1-NZ 3.85Å; D244-K248 WeakPolarHBondContact OD2-CE 3.39Å; D244-K248 IonicContact OD2-NZ 3.91Å; D244-K248 PolarHBondContact OD2-NZ 2.98Å
245I74Confident70.7Confident95 Ų9596.2 Ų96.249%0.48749%0.493SS..Hα-helixtrans-65.5-46.1172.9-69.1165.1000109.9E241 A247 K248 T249E241-I245 WeakPolarHBondContact O-CB 3.17Å; E241-I245 WeakPolarHBondContact O-CD1 3.35Å; E241-I245 WeakPolarHBondContact O-CG1 3.49Å; E241-I245 PolarHBondContact O-N 2.82Å; I245-A247 PolarHBondContact O-N 3.2Å; I245-K248 CarbonylContact O-C 3.49Å; I245-K248 PolarHBondContact O-N 3.43Å; I245-T249 HydrophobicContact CG2-CG2 4.4Å; I245-T249 WeakPolarHBondContact O-CB 3.32Å; I245-T249 PolarHBondContact O-N 3.13Å; I245-T249 PolarHBondContact O-OG1 3.02Å
246L74.1Confident71.5Confident99 Ų9993.9 Ų93.952%0.51849%0.487SS..Hα-helixtrans-64.1-38.1177.1-87.2163.9000111.6L242 Q243 T249 S250L242-L246 HydrophobicContact CD2-CD1 4.03Å; L242-L246 WeakPolarHBondContact O-CA 3.32Å; L242-L246 WeakPolarHBondContact O-CB 3.47Å; L242-L246 WeakPolarHBondContact O-CD1 3.36Å; L242-L246 VanDerWaalsContact O-CG 3.23Å; L242-L246 WeakPolarHBondContact O-CG 3.44Å; L242-L246 PolarHBondContact O-N 3.46Å; Q243-L246 PolarHBondContact O-N 3.38Å; L246-T249 VanDerWaalsContact CA-OG1 3.25Å; L246-T249 WeakPolarHBondContact CA-OG1 3.45Å; L246-T249 PolarHBondContact O-OG1 2.83Å; L246-S250 WeakPolarHBondContact O-CA 3.49Å; L246-S250 WeakPolarHBondContact O-CB 3.34Å; L246-S250 PolarHBondContact O-N 3.28Å
247A76Confident72.1Confident58 Ų5896.6 Ų96.648%0.47950%0.496SS..Hα-helixtrans-70-38.7174.700000110.8Q243 D244 I245 S251Q243-A247 WeakPolarHBondContact O-CA 3.35Å; Q243-A247 WeakPolarHBondContact O-CB 3.38Å; Q243-A247 PolarHBondContact O-N 2.8Å; D244-A247 PolarHBondContact O-N 3.35Å; I245-A247 PolarHBondContact O-N 3.2Å; A247-S251 WeakPolarHBondContact O-CB 3.08Å; A247-S251 PolarHBondContact O-N 2.86Å
248K75.9Confident72.8Confident118 Ų11897 Ų9751%0.51350%0.498SS..Hα-helixtrans-69.2-39.7173-81.8170.8179.4155.60112.4D244 I245 K252D244-K248 VanDerWaalsContact O-CB 3.24Å; D244-K248 WeakPolarHBondContact O-CB 3.4Å; D244-K248 WeakPolarHBondContact O-CG 3.38Å; D244-K248 PolarHBondContact O-N 3.27Å; D244-K248 IonicContact OD1-NZ 3.85Å; D244-K248 WeakPolarHBondContact OD2-CE 3.39Å; D244-K248 IonicContact OD2-NZ 3.91Å; D244-K248 PolarHBondContact OD2-NZ 2.98Å; I245-K248 CarbonylContact O-C 3.49Å; I245-K248 PolarHBondContact O-N 3.43Å; K248-K252 WeakPolarHBondContact O-CB 3.38Å; K248-K252 VanDerWaalsContact O-CG 3.23Å; K248-K252 WeakPolarHBondContact O-CG 3.47Å; K248-K252 PolarHBondContact O-N 2.85Å
249T71.3Confident72.9Confident69 Ų6997.8 Ų97.842%0.42351%0.505SS..Hα-helixtrans-74.6-35.8175.446.30000111I245 L246 K252 L253I245-T249 HydrophobicContact CG2-CG2 4.4Å; I245-T249 WeakPolarHBondContact O-CB 3.32Å; I245-T249 PolarHBondContact O-N 3.13Å; I245-T249 PolarHBondContact O-OG1 3.02Å; L246-T249 VanDerWaalsContact CA-OG1 3.25Å; L246-T249 WeakPolarHBondContact CA-OG1 3.45Å; L246-T249 PolarHBondContact O-OG1 2.83Å; T249-K252 CarbonylContact O-C 3.54Å; T249-K252 PolarHBondContact O-N 3.47Å; T249-L253 WeakPolarHBondContact O-CA 3.41Å; T249-L253 WeakPolarHBondContact O-CB 3.31Å; T249-L253 PolarHBondContact O-N 3.26Å
250S80.1Confident72.2Confident72 Ų7299.9 Ų99.950%0.50352%0.515SS..Hα-helixtrans-67.8-37.9172.6178.10000110.9L246 L253 S254L246-S250 WeakPolarHBondContact O-CA 3.49Å; L246-S250 WeakPolarHBondContact O-CB 3.34Å; L246-S250 PolarHBondContact O-N 3.28Å; S250-L253 PolarHBondContact O-N 2.98Å; S250-S254 WeakPolarHBondContact O-CB 3.47Å; S250-S254 PolarHBondContact O-N 2.99Å
251S77.8Confident71.8Confident63 Ų6399.6 Ų99.644%0.44152%0.516SS..Hα-helixtrans-66.3-40.3170.6172.90000112.1A247 R255A247-S251 WeakPolarHBondContact O-CB 3.08Å; A247-S251 PolarHBondContact O-N 2.86Å; S251-R255 WeakPolarHBondContact O-CB 3.45Å; S251-R255 PolarHBondContact O-N 3.06Å
252K76.4Confident71.2Confident152 Ų152100.6 Ų100.666%0.66153%0.532SS*.Hα-helixtrans-68-36.5173.1-77.4176.6178.3-1770112.1K248 T249 A256K248-K252 WeakPolarHBondContact O-CB 3.38Å; K248-K252 VanDerWaalsContact O-CG 3.23Å; K248-K252 WeakPolarHBondContact O-CG 3.47Å; K248-K252 PolarHBondContact O-N 2.85Å; T249-K252 CarbonylContact O-C 3.54Å; T249-K252 PolarHBondContact O-N 3.47Å; K252-A256 VanDerWaalsContact O-CB 3.28Å; K252-A256 WeakPolarHBondContact O-CB 3.47Å; K252-A256 PolarHBondContact O-N 3.27Å
253L73.6Confident70.5Confident101 Ų101101.9 Ų101.953%0.52954%0.539SS..Hα-helixtrans-72.3-43.2178.3-162.985000109.6T249 S250 R255 A256 E257T249-L253 WeakPolarHBondContact O-CA 3.41Å; T249-L253 WeakPolarHBondContact O-CB 3.31Å; T249-L253 PolarHBondContact O-N 3.26Å; S250-L253 PolarHBondContact O-N 2.98Å; L253-R255 VanDerWaalsContact C-N 3.34Å; L253-R255 PolarHBondContact O-N 3.24Å; L253-A256 CarbonylContact O-C 3.58Å; L253-A256 WeakPolarHBondContact O-CA 3.42Å; L253-A256 WeakPolarHBondContact O-CB 3.42Å; L253-A256 PolarHBondContact O-N 3.29Å; L253-A256 VanDerWaalsContact O-N 3.07Å; L253-E257 VanDerWaalsContact O-CB 3.28Å; L253-E257 WeakPolarHBondContact O-CB 3.43Å; L253-E257 VanDerWaalsContact O-CG 3.31Å; L253-E257 WeakPolarHBondContact O-CG 3.49Å; L253-E257 PolarHBondContact O-N 3.31Å
254S77.7Confident69.3Low54 Ų54101.6 Ų101.638%0.37854%0.541SS..Hα-helixtrans-62.4-39.3172.71710000111.5S250 E257 E258S250-S254 WeakPolarHBondContact O-CB 3.47Å; S250-S254 PolarHBondContact O-N 2.99Å; S254-E257 PolarHBondContact O-N 2.96Å; S254-E258 WeakPolarHBondContact O-CB 3.33Å; S254-E258 WeakPolarHBondContact O-CG 3.27Å; S254-E258 PolarHBondContact O-N 2.8Å
255R75.4Confident68.1Low178 Ų178101.3 Ų101.367%0.67256%0.557SS**Hα-helixtrans-66.6-36.5169.8-95.7178165.2156.4-3.9113S251 L253 M259S251-R255 WeakPolarHBondContact O-CB 3.45Å; S251-R255 PolarHBondContact O-N 3.06Å; L253-R255 VanDerWaalsContact C-N 3.34Å; L253-R255 PolarHBondContact O-N 3.24Å; R255-M259 WeakPolarHBondContact O-CB 3.35Å; R255-M259 PolarHBondContact O-N 3Å
256A66.7Low67.1Low43 Ų43101.3 Ų101.336%0.35556%0.564SS.*Hα-helixtrans-71.5-34.4174.700000111.7K252 L253 M259 M260K252-A256 VanDerWaalsContact O-CB 3.28Å; K252-A256 WeakPolarHBondContact O-CB 3.47Å; K252-A256 PolarHBondContact O-N 3.27Å; L253-A256 CarbonylContact O-C 3.58Å; L253-A256 WeakPolarHBondContact O-CA 3.42Å; L253-A256 WeakPolarHBondContact O-CB 3.42Å; L253-A256 PolarHBondContact O-N 3.29Å; L253-A256 VanDerWaalsContact O-N 3.07Å; A256-M259 CarbonylContact O-C 3.47Å; A256-M259 PolarHBondContact O-N 3.39Å; A256-M260 VanDerWaalsContact O-CB 3.23Å; A256-M260 WeakPolarHBondContact O-CB 3.21Å; A256-M260 VanDerWaalsContact O-CG 3.31Å; A256-M260 WeakPolarHBondContact O-CG 3.36Å; A256-M260 PolarHBondContact O-N 3.35Å
257E72.8Confident65.9Low103 Ų103106.6 Ų106.648%0.48158%0.579SS.*Hα-helixtrans-72.7-34.5174.3-79.6175.7170.100111.1L253 S254 M260 N261L253-E257 VanDerWaalsContact O-CB 3.28Å; L253-E257 WeakPolarHBondContact O-CB 3.43Å; L253-E257 VanDerWaalsContact O-CG 3.31Å; L253-E257 WeakPolarHBondContact O-CG 3.49Å; L253-E257 PolarHBondContact O-N 3.31Å; S254-E257 PolarHBondContact O-N 2.96Å; E257-M260 CarbonylContact O-C 3.46Å; E257-M260 PolarHBondContact O-N 2.85Å; E257-N261 WeakPolarHBondContact O-CB 3.28Å; E257-N261 PolarHBondContact O-N 3.26Å
258E70.9Confident64.7Low132 Ų132109.2 Ų109.262%0.61759%0.593SS**Hα-helixtrans-69.1-41.4169.1-82.8-178.216000111.2S254 M260 N261 S262S254-E258 WeakPolarHBondContact O-CB 3.33Å; S254-E258 WeakPolarHBondContact O-CG 3.27Å; S254-E258 PolarHBondContact O-N 2.8Å; E258-M260 VanDerWaalsContact C-N 3.31Å; E258-N261 PolarHBondContact O-N 3.02Å; E258-S262 WeakPolarHBondContact O-CB 3.42Å; E258-S262 PolarHBondContact O-N 3.23Å
259M61.3Low63.5Low140 Ų140107.9 Ų107.969%0.6959%0.588SS**Hα-helixtrans-64.6-34.4170.8-93.1-172.167.500112.4R255 A256 S262R255-M259 WeakPolarHBondContact O-CB 3.35Å; R255-M259 PolarHBondContact O-N 3Å; A256-M259 CarbonylContact O-C 3.47Å; A256-M259 PolarHBondContact O-N 3.39Å; M259-S262 WeakPolarHBondContact O-CB 3.45Å
260M59Low62.8Low114 Ų114111.9 Ų111.956%0.56260%0.595SS**Hα-helixtrans-78.5-35.6175.7-84.2178.744.600112.2A256 E257 E258 S262 L263 D264A256-M260 VanDerWaalsContact O-CB 3.23Å; A256-M260 WeakPolarHBondContact O-CB 3.21Å; A256-M260 VanDerWaalsContact O-CG 3.31Å; A256-M260 WeakPolarHBondContact O-CG 3.36Å; A256-M260 PolarHBondContact O-N 3.35Å; E257-M260 CarbonylContact O-C 3.46Å; E257-M260 PolarHBondContact O-N 2.85Å; E258-M260 VanDerWaalsContact C-N 3.31Å; M260-S262 PolarHBondContact O-N 3.34Å; M260-L263 CarbonylContact O-C 3.58Å; M260-L263 VanDerWaalsContact O-C 3.31Å; M260-L263 WeakPolarHBondContact O-CA 3.25Å; M260-L263 VanDerWaalsContact O-CB 3.24Å; M260-L263 WeakPolarHBondContact O-CB 3.23Å; M260-L263 PolarHBondContact O-N 3.23Å; M260-D264 WeakPolarHBondContact O-CB 3.34Å; M260-D264 PolarHBondContact O-N 3.17Å
261N58.8Low61.8Low115 Ų115111.3 Ų111.362%0.61559%0.589SS**Hα-helixtrans-66.1-29.2171.9-99.9-27.2000111.4E257 E258 L263 D264E257-N261 WeakPolarHBondContact O-CB 3.28Å; E257-N261 PolarHBondContact O-N 3.26Å; E258-N261 PolarHBondContact O-N 3.02Å; N261-L263 PolarHBondContact O-N 3.41Å; N261-D264 PolarHBondContact O-N 2.85Å
262S58.1Low61.2Low103 Ų103108.5 Ų108.572%0.7257%0.569SS**THydrogen-bonded Turntrans-63.8-19.5165.6167.60000112.9E258 M259 M260E258-S262 WeakPolarHBondContact O-CB 3.42Å; E258-S262 PolarHBondContact O-N 3.23Å; M259-S262 WeakPolarHBondContact O-CB 3.45Å; M260-S262 PolarHBondContact O-N 3.34Å
263L54.5Low60.3Low132 Ų132105.7 Ų105.769%0.69157%0.568SS**THydrogen-bonded Turntrans-100.9-23.5173.9-74.1154.9000112.8M260 N261 G265M260-L263 CarbonylContact O-C 3.58Å; M260-L263 VanDerWaalsContact O-C 3.31Å; M260-L263 WeakPolarHBondContact O-CA 3.25Å; M260-L263 VanDerWaalsContact O-CB 3.24Å; M260-L263 WeakPolarHBondContact O-CB 3.23Å; M260-L263 PolarHBondContact O-N 3.23Å; N261-L263 PolarHBondContact O-N 3.41Å; L263-G265 PolarHBondContact O-N 3.05Å; L263-G265 VanDerWaalsContact O-N 3.16Å
264D46.8Very low59.7Low113 Ų113102.5 Ų102.560%0.60455%0.553SS**  trans-82.115.9-174.7-127.811.3000113.6M260 N261 C266M260-D264 WeakPolarHBondContact O-CB 3.34Å; M260-D264 PolarHBondContact O-N 3.17Å; N261-D264 PolarHBondContact O-N 2.85Å; D264-C266 PolarHBondContact O-N 3.34Å; D264-C266 VanDerWaalsContact O-N 3.15Å
265G48.4Very low58.7Low73 Ų73106.9 Ų106.975%0.75357%0.566SS**  trans-72.518.5159.900000113.5L263L263-G265 PolarHBondContact O-N 3.05Å; L263-G265 VanDerWaalsContact O-N 3.16Å
266C53.7Low57.8Low95 Ų95101.9 Ų101.964%0.64257%0.569SS**  trans-116.380.9174.3-82.40000110D264 C268D264-C266 PolarHBondContact O-N 3.34Å; D264-C266 VanDerWaalsContact O-N 3.15Å; C266-C268 PolarHBondContact O-N 3.2Å
267Y49.7Very low57.6Low210 Ų210103.5 Ų103.582%0.82457%0.574SS**  trans-57.8102.2166.4-165.2-96.2000109E269Y267-E269 HydrophobicContact CD1-CG 3.89Å; Y267-E269 HydrophobicContact CE1-CG 4.05Å; Y267-E269 PolarHBondContact O-N 2.03Å
268C49.3Very low57Low114 Ų114102.9 Ų102.977%0.7758%0.578SS**  trans-76.792.1173.6-74.50000108.7C266 R270C266-C268 PolarHBondContact O-N 3.2Å; C268-R270 PolarHBondContact O-N 2.79Å; C268-R270 VanDerWaalsContact O-N 3.13Å
269E51.3Low56.7Low89 Ų8999.3 Ų99.342%0.41656%0.559SS.*  trans-53.5118.9163.4-71.8-173.5165.700108Y267 T271 R280Y267-E269 HydrophobicContact CD1-CG 3.89Å; Y267-E269 HydrophobicContact CE1-CG 4.05Å; Y267-E269 PolarHBondContact O-N 2.03Å; E269-T271 HydrophobicContact CB-CG2 4.05Å; E269-T271 PolarHBondContact O-N 3.2Å; E269-T271 VanDerWaalsContact O-N 3.16Å; E269-R280 IonicContact OE1-CZ 2.91Å; E269-R280 VanDerWaalsContact OE1-CZ 3.26Å; E269-R280 IonicContact OE1-NE 3.51Å; E269-R280 PolarHBondContact OE1-NE 3.15Å; E269-R280 IonicContact OE1-NH2 3.26Å; E269-R280 PolarHBondContact OE1-NH2 3.35Å; E269-R280 IonicContact OE2-CZ 3.49Å; E269-R280 VanDerWaalsContact OE2-CZ 3.23Å; E269-R280 IonicContact OE2-NE 2.87Å; E269-R280 PolarHBondContact OE2-NE 3.45Å; E269-R280 IonicContact OE2-NH2 2.99Å; E269-R280 PolarHBondContact OE2-NH2 3.44Å
270R57.1Low56.8Low154 Ų15499.2 Ų99.258%0.58155%0.551SS**  trans-67.5115.7173.1-68.4-179.4179.9179.4-1.5107.2C268 N296C268-R270 PolarHBondContact O-N 2.79Å; C268-R270 VanDerWaalsContact O-N 3.13Å; R270-N296 PolarHBondContact NH1-OD1 2.98Å
271T59.3Low56.7Low59 Ų5997.9 Ų97.936%0.36254%0.543SS..EExtended strand (participates in β ladder)trans-130.6139.5-173.850.30000110.6E269 V278 Y279 R280E269-T271 HydrophobicContact CB-CG2 4.05Å; E269-T271 PolarHBondContact O-N 3.2Å; E269-T271 VanDerWaalsContact O-N 3.16Å; T271-V278 HydrophobicContact CG2-CG1 3.64Å; T271-V278 VanDerWaalsContact OG1-CG1 3.31Å; T271-V278 WeakPolarHBondContact OG1-CG1 3.42Å; T271-Y279 CarbonylContact C-O 3.51Å; T271-Y279 WeakPolarHBondContact CA-O 3.22Å; T271-Y279 VanDerWaalsContact CB-O 3.23Å; T271-Y279 WeakPolarHBondContact CB-O 3.42Å; T271-Y279 WeakPolarHBondContact CG2-O 3.06Å; T271-R280 HydrophobicContact CG2-CG 4.4Å
272C63.5Low56.6Low5 Ų599 Ų993%0.03455%0.549CS..EExtended strand (participates in β ladder)trans-97.6132.7173.1-65.10000109Y279 C294 V299C272-Y279 PolarHBondContact N-O 2.92Å; C272-Y279 PolarHBondContact O-N 3.43Å; C272-C294 HydrophobicContact CB-CB 3.72Å; C272-C294 WeakPolarHBondContact CB-SG 3.36Å; C272-C294 WeakPolarHBondContact SG-CB 3.27Å; C272-C294 CovalentContact SG-SG 2.03Å; C272-C294 PolarHBondContact SG-SG 2.87Å; C272-V299 HydrophobicContact CB-CG2 3.75Å
273S58.6Low56.8Low92 Ų9298.9 Ų98.964%0.64354%0.537SS*.EExtended strand (participates in β ladder)trans-100.5115.6175.467.20000111.1V277S273-V277 WeakPolarHBondContact CA-O 3.21Å
274V59.8Low57Low35 Ų3596.7 Ų96.721%0.21253%0.533CS..EExtended strand (participates in β ladder)trans-121.7124.6173.7-177.30000108.3G276 V277 Y279 V299V274-G276 PolarHBondContact O-N 3.28Å; V274-G276 VanDerWaalsContact O-N 3.07Å; V274-V277 PolarHBondContact N-O 2.03Å; V274-V277 PolarHBondContact O-N 3.37Å; V274-V277 VanDerWaalsContact O-N 3.08Å; V274-Y279 HydrophobicContact CB-CE2 4.23Å; V274-V299 HydrophobicContact CG2-CG1 4.25Å; V274-V299 HydrophobicContact CG2-CG2 3.73Å
275K57.9Low57.9Low146 Ų14693.7 Ų93.764%0.63552%0.517SS*.THydrogen-bonded Turntrans49.534.5-178.9-66.8175.4175.7164.70114.4D287K275-D287 WeakPolarHBondContact CE-OD2 3.4Å; K275-D287 IonicContact NZ-OD1 2.82Å; K275-D287 PolarHBondContact NZ-OD1 2.83Å; K275-D287 IonicContact NZ-OD2 3.65Å; K275-D287 PolarHBondContact NZ-OD2 3.15Å
276G57.2Low58.4Low73 Ų7394.8 Ų94.875%0.75351%0.509SS*.THydrogen-bonded Turntrans85.31.6176.300000115.8V274V274-G276 PolarHBondContact O-N 3.28Å; V274-G276 VanDerWaalsContact O-N 3.07Å
277V61.1Low58.8Low76 Ų7693.1 Ų93.146%0.46149%0.494SS..EExtended strand (participates in β ladder)trans-104.4137.5173.6-174.20000109.2S273 V274 Y279S273-V277 WeakPolarHBondContact CA-O 3.21Å; V274-V277 PolarHBondContact N-O 2.03Å; V274-V277 PolarHBondContact O-N 3.37Å; V274-V277 VanDerWaalsContact O-N 3.08Å; V277-Y279 HydrophobicContact CB-CE2 3.71Å; V277-Y279 HydrophobicContact CG1-CE1 3.98Å; V277-Y279 HydrophobicContact CG1-CE2 3.82Å; V277-Y279 WeakPolarHBondContact O-CD2 3.16Å; V277-Y279 WeakPolarHBondContact O-CE2 3.25Å
278V60.6Low59.6Low90 Ų9084.3 Ų84.355%0.54547%0.467SS..EExtended strand (participates in β ladder)trans-103.7117.2-172.31800000108.6T271T271-V278 HydrophobicContact CG2-CG1 3.64Å; T271-V278 VanDerWaalsContact OG1-CG1 3.31Å; T271-V278 WeakPolarHBondContact OG1-CG1 3.42Å
279Y64.6Low60.4Low58 Ų5879 Ų7923%0.22743%0.432CS..EExtended strand (participates in β ladder)trans-111.1150.4-174.3-61.8-83.3000111.8T271 C272 V274 V277 L285T271-Y279 CarbonylContact C-O 3.51Å; T271-Y279 WeakPolarHBondContact CA-O 3.22Å; T271-Y279 VanDerWaalsContact CB-O 3.23Å; T271-Y279 WeakPolarHBondContact CB-O 3.42Å; T271-Y279 WeakPolarHBondContact CG2-O 3.06Å; C272-Y279 PolarHBondContact N-O 2.92Å; C272-Y279 PolarHBondContact O-N 3.43Å; V274-Y279 HydrophobicContact CB-CE2 4.23Å; V277-Y279 HydrophobicContact CB-CE2 3.71Å; V277-Y279 HydrophobicContact CG1-CE1 3.98Å; V277-Y279 HydrophobicContact CG1-CE2 3.82Å; V277-Y279 WeakPolarHBondContact O-CD2 3.16Å; V277-Y279 WeakPolarHBondContact O-CE2 3.25Å; Y279-L285 HydrophobicContact CE2-CD2 4.2Å
280R63Low61Low138 Ų13879.6 Ų79.652%0.52143%0.43SS..EExtended strand (participates in β ladder)trans-89.1158179.7-69.4176.6171.1175.8-4.4111.4E269 T271 E283E269-R280 IonicContact OE1-CZ 2.91Å; E269-R280 VanDerWaalsContact OE1-CZ 3.26Å; E269-R280 IonicContact OE1-NE 3.51Å; E269-R280 PolarHBondContact OE1-NE 3.15Å; E269-R280 IonicContact OE1-NH2 3.26Å; E269-R280 PolarHBondContact OE1-NH2 3.35Å; E269-R280 IonicContact OE2-CZ 3.49Å; E269-R280 VanDerWaalsContact OE2-CZ 3.23Å; E269-R280 IonicContact OE2-NE 2.87Å; E269-R280 PolarHBondContact OE2-NE 3.45Å; E269-R280 IonicContact OE2-NH2 2.99Å; E269-R280 PolarHBondContact OE2-NH2 3.44Å; T271-R280 HydrophobicContact CG2-CG 4.4Å; R280-E283 PolarHBondContact N-OE2 3.01Å; R280-E283 PolarHBondContact O-N 2.72Å
281E56.3Low61.6Low85 Ų8575.4 Ų75.440%0.39742%0.419SS..THydrogen-bonded Turntrans-54.9135178.4-153.7162-154.200110.7E283 N296E281-E283 PolarHBondContact O-N 2.73Å; E281-N296 PolarHBondContact OE1-N 2.9Å
282D58.1Low62.1Low139 Ų13973 Ų7374%0.74341%0.405SS*.THydrogen-bonded Turntrans72.76.2-175.5-55.7-40.4000118C294D282-C294 PolarHBondContact N-O 3.05Å
283E61.8Low62.4Low100 Ų10075.1 Ų75.147%0.46742%0.417SS..  trans-77.1132.6167.4-72.3-176.4153.700111.3R280 E281R280-E283 PolarHBondContact N-OE2 3.01Å; R280-E283 PolarHBondContact O-N 2.72Å; E281-E283 PolarHBondContact O-N 2.73Å
284S59.7Low62.8Low87 Ų8771 Ų7161%0.60839%0.388SS*.EExtended strand (participates in β ladder)trans-101.5132.9176.448.20000110.8C292S284-C292 WeakPolarHBondContact CA-O 3.11Å
285L65Low62.9Low49 Ų4971.4 Ų71.426%0.25739%0.391SS..EExtended strand (participates in β ladder)trans-124.8132.4-177.9177.369.7000110.5Y279 D287 N291 C292Y279-L285 HydrophobicContact CE2-CD2 4.2Å; L285-D287 HydrophobicContact CD2-CB 4.48Å; L285-N291 CarbonylContact O-C 3.56Å; L285-N291 WeakPolarHBondContact O-CA 3Å; L285-N291 PolarHBondContact O-OD1 3.13Å; L285-C292 PolarHBondContact N-O 3.37Å; L285-C292 PolarHBondContact O-N 3.37Å
286T59.5Low63.2Low97 Ų9770 Ų7060%0.59539%0.39SS*.EExtended strand (participates in β ladder)trans-89.7108.116438.70000110.4R290 I304T286-R290 CarbonylContact C-O 3.56Å; T286-R290 WeakPolarHBondContact CA-O 3.33Å; T286-I304 HydrophobicContact CG2-CD1 4.11Å
287D60.7Low63.2Low59 Ų5968.8 Ų68.832%0.31638%0.378SS..EExtended strand (participates in β ladder)trans-106.298.4171.9-171.420.8000109.5K275 L285 C289 R290K275-D287 WeakPolarHBondContact CE-OD2 3.4Å; K275-D287 IonicContact NZ-OD1 2.82Å; K275-D287 PolarHBondContact NZ-OD1 2.83Å; K275-D287 IonicContact NZ-OD2 3.65Å; K275-D287 PolarHBondContact NZ-OD2 3.15Å; L285-D287 HydrophobicContact CD2-CB 4.48Å; D287-C289 PolarHBondContact O-N 3.49Å; D287-C289 VanDerWaalsContact O-N 3.17Å; D287-R290 PolarHBondContact N-O 3.48Å; D287-R290 PolarHBondContact O-N 3.02Å
288G67.3Low63Low26 Ų2669.1 Ų69.127%0.26838%0.38SS..THydrogen-bonded Turntrans63-113.6-172.400000111.9
289C66Low63.1Low3 Ų367.8 Ų67.82%0.0237%0.372CS..THydrogen-bonded Turntrans-101.317.1179.7-84.40000114.9D287 I304 C324 L430 Y436D287-C289 PolarHBondContact O-N 3.49Å; D287-C289 VanDerWaalsContact O-N 3.17Å; C289-I304 PolarHBondContact O-N 2.83Å; C289-C324 WeakPolarHBondContact CA-SG 3.34Å; C289-C324 HydrophobicContact CB-CB 3.96Å; C289-C324 WeakPolarHBondContact CB-SG 3.49Å; C289-C324 WeakPolarHBondContact SG-CA 3.43Å; C289-C324 WeakPolarHBondContact SG-CB 3.43Å; C289-C324 CovalentContact SG-SG 2.03Å; C289-C324 PolarHBondContact SG-SG 2.99Å; C289-L430 HydrophobicContact CB-CD2 3.78Å; C289-Y436 HydrophobicContact CB-CD1 4.49Å
290R64.6Low62.9Low100 Ų10070.5 Ų70.538%0.37739%0.387SS..EExtended strand (participates in β ladder)trans-122135.7179.6-64-179.7179.9177.5-0.8110.9T286 D287 C301 E302T286-R290 CarbonylContact C-O 3.56Å; T286-R290 WeakPolarHBondContact CA-O 3.33Å; D287-R290 PolarHBondContact N-O 3.48Å; D287-R290 PolarHBondContact O-N 3.02Å; R290-C301 HydrophobicContact CB-CB 4.2Å; R290-E302 CarbonylContact C-O 3.54Å; R290-E302 VanDerWaalsContact CA-O 3.3Å; R290-E302 WeakPolarHBondContact CA-O 3.21Å
291N69.3Low62.9Low67 Ų6766.9 Ų66.936%0.35838%0.382SS..EExtended strand (participates in β ladder)trans-96.9113.4169-173.318000108.7L285 C301 E302 I304L285-N291 CarbonylContact O-C 3.56Å; L285-N291 WeakPolarHBondContact O-CA 3Å; L285-N291 PolarHBondContact O-OD1 3.13Å; N291-C301 CarbonylContact O-C 3.53Å; N291-C301 WeakPolarHBondContact O-CA 3.06Å; N291-E302 PolarHBondContact N-O 3.13Å; N291-E302 PolarHBondContact O-N 2.95Å; N291-I304 HydrophobicContact CB-CG1 4.45Å
292C69.3Low63.2Low9 Ų970 Ų706%0.06140%0.397CS..EExtended strand (participates in β ladder)trans-109.9130.3-173.3-600000110.8S284 L285 V299 Q300 C301S284-C292 WeakPolarHBondContact CA-O 3.11Å; L285-C292 PolarHBondContact N-O 3.37Å; L285-C292 PolarHBondContact O-N 3.37Å; C292-V299 HydrophobicContact CB-CG1 3.81Å; C292-Q300 CarbonylContact C-O 3.58Å; C292-Q300 VanDerWaalsContact CA-O 3.24Å; C292-Q300 WeakPolarHBondContact CA-O 3.07Å; C292-C301 HydrophobicContact CB-CB 4.1Å; C292-C301 WeakPolarHBondContact CB-SG 3.44Å; C292-C301 WeakPolarHBondContact SG-CB 3.22Å; C292-C301 CovalentContact SG-SG 2.03Å; C292-C301 PolarHBondContact SG-SG 2.63Å
293T69.9Low63.3Low48 Ų4867 Ų6729%0.29438%0.383SS..EExtended strand (participates in β ladder)trans-116.7138.117552.10000110.3Q300T293-Q300 PolarHBondContact N-O 3.06Å; T293-Q300 PolarHBondContact O-N 3.04Å
294C66.4Low63.6Low6 Ų665 Ų654%0.04138%0.375CS..EExtended strand (participates in β ladder)trans-88.3106.8174.6176.50000109.2C272 D282C272-C294 HydrophobicContact CB-CB 3.72Å; C272-C294 WeakPolarHBondContact CB-SG 3.36Å; C272-C294 WeakPolarHBondContact SG-CB 3.27Å; C272-C294 CovalentContact SG-SG 2.03Å; C272-C294 PolarHBondContact SG-SG 2.87Å; D282-C294 PolarHBondContact N-O 3.05Å
295T63.5Low63.7Low43 Ų4366.1 Ų66.126%0.26438%0.383SS..EExtended strand (participates in β ladder)trans-120119.6176.552.30000109.6G297 T298 Q300T295-G297 VanDerWaalsContact C-N 3.3Å; T295-G297 PolarHBondContact O-N 2.83Å; T295-T298 PolarHBondContact N-O 3.3Å; T295-T298 PolarHBondContact O-N 2.82Å; T295-T298 VanDerWaalsContact O-O 3.05Å; T295-T298 PolarHBondContact O-OG1 3.26Å; T295-Q300 PolarHBondContact OG1-OE1 2.82Å
296N62.5Low63.6Low117 Ų11766.8 Ų66.863%0.62639%0.391SS*.THydrogen-bonded Turntrans53.739.3175.5-156.724.8000114.8R270 E281 T298R270-N296 PolarHBondContact NH1-OD1 2.98Å; E281-N296 PolarHBondContact OE1-N 2.9Å; N296-T298 VanDerWaalsContact C-N 3.27Å; N296-T298 PolarHBondContact O-N 2.81Å
297G58.6Low63.9Low47 Ų4767 Ų6749%0.48539%0.394SS..THydrogen-bonded Turntrans78.53.2-179.600000115.2T295T295-G297 VanDerWaalsContact C-N 3.3Å; T295-G297 PolarHBondContact O-N 2.83Å
298T56.3Low64.2Low84 Ų8469.6 Ų69.652%0.51541%0.414SS..EExtended strand (participates in β ladder)trans-114.6140.5174.344.50000111.1T295 N296T295-T298 PolarHBondContact N-O 3.3Å; T295-T298 PolarHBondContact O-N 2.82Å; T295-T298 VanDerWaalsContact O-O 3.05Å; T295-T298 PolarHBondContact O-OG1 3.26Å; N296-T298 VanDerWaalsContact C-N 3.27Å; N296-T298 PolarHBondContact O-N 2.81Å
299V62.6Low64Low61 Ų6170.9 Ų70.937%0.3742%0.418SS..EExtended strand (participates in β ladder)trans-93.2119.1179.5-177.90000108.8C272 V274 C292C272-V299 HydrophobicContact CB-CG2 3.75Å; V274-V299 HydrophobicContact CG2-CG1 4.25Å; V274-V299 HydrophobicContact CG2-CG2 3.73Å; C292-V299 HydrophobicContact CB-CG1 3.81Å
300Q61.3Low64.2Low116 Ų11679.7 Ų79.754%0.54246%0.458SS..EExtended strand (participates in β ladder)trans-106.4117.6175.6-68.3-174.5-3300109.4C292 T293 T295C292-Q300 CarbonylContact C-O 3.58Å; C292-Q300 VanDerWaalsContact CA-O 3.24Å; C292-Q300 WeakPolarHBondContact CA-O 3.07Å; T293-Q300 PolarHBondContact N-O 3.06Å; T293-Q300 PolarHBondContact O-N 3.04Å; T295-Q300 PolarHBondContact OG1-OE1 2.82Å
301C62.6Low64.6Low61 Ų6176.6 Ų76.641%0.41245%0.452SS..EExtended strand (participates in β ladder)trans-114.3124.5-175.9-64.50000111.6R290 N291 C292R290-C301 HydrophobicContact CB-CB 4.2Å; N291-C301 CarbonylContact O-C 3.53Å; N291-C301 WeakPolarHBondContact O-CA 3.06Å; C292-C301 HydrophobicContact CB-CB 4.1Å; C292-C301 WeakPolarHBondContact CB-SG 3.44Å; C292-C301 WeakPolarHBondContact SG-CB 3.22Å; C292-C301 CovalentContact SG-SG 2.03Å; C292-C301 PolarHBondContact SG-SG 2.63Å
302E63.3Low64.7Low152 Ų15277.6 Ų77.671%0.7146%0.462SS*.EExtended strand (participates in β ladder)trans-107.4144.3175.3-65.5-175.617100111.3R290 N291R290-E302 CarbonylContact C-O 3.54Å; R290-E302 VanDerWaalsContact CA-O 3.3Å; R290-E302 WeakPolarHBondContact CA-O 3.21Å; N291-E302 PolarHBondContact N-O 3.13Å; N291-E302 PolarHBondContact O-N 2.95Å
303T58.4Low64.4Low76 Ų7681.4 Ų81.447%0.46649%0.494SS..EExtended strand (participates in β ladder)trans-74.4134.2179.152.40000111.7S305 L430T303-S305 PolarHBondContact O-N 2.8Å; T303-L430 HydrophobicContact CG2-CD1 4.36Å
304I68.2Low64.2Low57 Ų5784.2 Ų84.229%0.29251%0.508SS..  trans-80.5115.8176.7-59.2171.4000109.4T286 C289 N291 C324T286-I304 HydrophobicContact CG2-CD1 4.11Å; C289-I304 PolarHBondContact O-N 2.83Å; N291-I304 HydrophobicContact CB-CG1 4.45Å; I304-C324 HydrophobicContact CD1-CB 4.44Å
305S61.5Low64.6Low111 Ų11185.1 Ų85.178%0.77651%0.513SS*.  trans-81.8115.3173.568.60000110.9T303 P307T303-S305 PolarHBondContact O-N 2.8Å; S305-P307 WeakPolarHBondContact O-CD 3.27Å
306C63.8Low65Low63 Ų6385 Ų8543%0.42651%0.512SS..PPolyproline II helixtrans-87.7120.6179.4-60.90000111.7C325C306-C325 VanDerWaalsContact CA-SG 3.57Å; C306-C325 HydrophobicContact CB-CB 3.75Å; C306-C325 WeakPolarHBondContact CB-SG 3.46Å; C306-C325 WeakPolarHBondContact SG-CA 3.23Å; C306-C325 WeakPolarHBondContact SG-CB 3.45Å; C306-C325 CovalentContact SG-SG 2.04Å; C306-C325 PolarHBondContact SG-SG 2.97Å
307P66.7Low65.6Low101 Ų10182.3 Ų82.366%0.65650%0.501SS*.PPolyproline II helixtrans-70.4153.7171.127.5-31.6000111.4S305S305-P307 WeakPolarHBondContact O-CD 3.27Å
308P66.3Low66.2Low113 Ų11380.9 Ų80.973%0.73449%0.485SS*.PPolyproline II helixtrans-63.4123.3179.324.5-32.5000110.8Q310P308-Q310 PolarHBondContact O-N 2.96Å
309P63.4Low66.9Low53 Ų5380.7 Ų80.734%0.34448%0.475SS..PPolyproline II helixtrans-72.3126.8-174.427.7-34.3000111.4P317 M326P309-P317 HydrophobicContact CB-CB 4.24Å; P309-P317 HydrophobicContact CB-CG 4.31Å; P309-P317 HydrophobicContact CG-CB 3.6Å; P309-P317 HydrophobicContact CG-CG 3.79Å; P309-M326 HydrophobicContact CG-CB 4.06Å; P309-M326 HydrophobicContact CG-SD 4.39Å
310Q70.1Confident67.2Low188 Ų18880.1 Ų80.188%0.87947%0.472SS*.  trans-101.396.9171.4-66.9-179.119.500109P308P308-Q310 PolarHBondContact O-N 2.96Å
311C71.5Confident67.2Low35 Ų3584.8 Ų84.824%0.23649%0.49CS..PPolyproline II helixtrans-90.5138.3-176.2-62.90000112.6T315 C328C311-T315 WeakPolarHBondContact CB-OG1 3.44Å; C311-C328 WeakPolarHBondContact CA-SG 3.32Å; C311-C328 HydrophobicContact CB-CB 3.79Å; C311-C328 WeakPolarHBondContact CB-SG 3.45Å; C311-C328 WeakPolarHBondContact SG-CA 3.5Å; C311-C328 WeakPolarHBondContact SG-CB 3.27Å; C311-C328 CovalentContact SG-SG 2.04Å; C311-C328 PolarHBondContact SG-SG 2.78Å
312P73.4Confident67Low88 Ų8885.9 Ų85.957%0.57151%0.511SS*.PPolyproline II helixtrans-63.1160.4172.711-13.4000112.4D314 T315P312-D314 PolarHBondContact O-N 3.29Å; P312-T315 VanDerWaalsContact CD-OG1 3.3Å; P312-T315 WeakPolarHBondContact CD-OG1 3.3Å; P312-T315 PolarHBondContact O-N 2.94Å; P312-T315 VanDerWaalsContact O-N 3.13Å; P312-T315 PolarHBondContact O-OG1 3.48Å
313A63Low67.1Low90 Ų9079.6 Ų79.674%0.74449%0.486SS*.THydrogen-bonded Turntrans-52.8138.4174.500000110.8
314D65.3Low67.6Low107 Ų10776.7 Ų76.757%0.57247%0.468SS*.THydrogen-bonded Turntrans76.311.6-174.9-41.9-34.8000115.8P312 V331P312-D314 PolarHBondContact O-N 3.29Å; D314-V331 PolarHBondContact O-N 3.33Å
315T75Confident67.7Low25 Ų2575.8 Ų75.815%0.15347%0.466CS..EExtended strand (participates in β ladder)trans-130.3143.6170.258.60000111.4C311 P312 Q329C311-T315 WeakPolarHBondContact CB-OG1 3.44Å; P312-T315 VanDerWaalsContact CD-OG1 3.3Å; P312-T315 WeakPolarHBondContact CD-OG1 3.3Å; P312-T315 PolarHBondContact O-N 2.94Å; P312-T315 VanDerWaalsContact O-N 3.13Å; P312-T315 PolarHBondContact O-OG1 3.48Å; T315-Q329 CarbonylContact C-O 3.58Å; T315-Q329 WeakPolarHBondContact CA-O 3.22Å; T315-Q329 VanDerWaalsContact CB-O 3.28Å; T315-Q329 WeakPolarHBondContact CB-O 3.39Å
316T71.6Confident68Low40 Ų4073.4 Ų73.425%0.24544%0.444CS..EExtended strand (participates in β ladder)trans-122.8144.4177.451.60000110.7A318 Q329 V331 V340T316-A318 PolarHBondContact O-N 2.93Å; T316-Q329 PolarHBondContact N-O 2.74Å; T316-Q329 PolarHBondContact O-N 3.03Å; T316-V331 HydrophobicContact CG2-CG2 3.62Å; T316-V331 WeakPolarHBondContact OG1-CG2 3.29Å; T316-V340 VanDerWaalsContact OG1-CG1 3.31Å; T316-V340 WeakPolarHBondContact OG1-CG1 3.25Å
317P73.9Confident68.5Low60 Ų6075 Ų7539%0.3945%0.445SS..EExtended strand (participates in β ladder)trans-61.2122.6173.2-15.426.6000110.3P309 M326P309-P317 HydrophobicContact CB-CB 4.24Å; P309-P317 HydrophobicContact CB-CG 4.31Å; P309-P317 HydrophobicContact CG-CB 3.6Å; P309-P317 HydrophobicContact CG-CG 3.79Å; P317-M326 HydrophobicContact CB-CB 4.05Å; P317-M326 HydrophobicContact CB-SD 3.84Å
318A72.5Confident69Low18 Ų1872.7 Ų72.715%0.14943%0.431CS..EExtended strand (participates in β ladder)trans-139.7153.6175.600000110.8T316 V320 E327 Q329 V340T316-A318 PolarHBondContact O-N 2.93Å; A318-V320 PolarHBondContact O-N 3.34Å; A318-E327 PolarHBondContact N-O 3.44Å; A318-E327 PolarHBondContact O-N 3.12Å; A318-Q329 HydrophobicContact CB-CB 4.15Å; A318-Q329 HydrophobicContact CB-CG 4.06Å; A318-V340 HydrophobicContact CB-CB 4.41Å; A318-V340 HydrophobicContact CB-CG1 4.09Å; A318-V340 HydrophobicContact CB-CG2 4.22Å
319Y70.8Confident69.3Low80 Ų8069.2 Ų69.231%0.31441%0.405SS..  trans-80.2115.2175.5-71.6-67.3000110.3M326 R431Y319-M326 HydrophobicContact CD1-CG 3.92Å; Y319-M326 HydrophobicContact CD2-CE 4.29Å; Y319-M326 HydrophobicContact CD2-CG 4.48Å; Y319-M326 HydrophobicContact CE1-CE 4.28Å; Y319-M326 HydrophobicContact CE1-CG 3.62Å; Y319-M326 HydrophobicContact CE2-CE 3.45Å; Y319-M326 VanDerWaalsContact CE2-CE 3.45Å; Y319-M326 HydrophobicContact CE2-CG 4.22Å; Y319-M326 HydrophobicContact CG-CG 4.36Å; Y319-M326 VanDerWaalsContact CZ-CE 3.45Å; Y319-M326 WeakPolarHBondContact OH-CE 3.29Å; Y319-R431 VanDerWaalsContact CD1-CZ 3.44Å; Y319-R431 VanDerWaalsContact CE1-CZ 3.49Å; Y319-R431 VanDerWaalsContact CG-NH2 3.28Å
320V67.8Low70Confident49 Ų4968 Ų6830%0.29740%0.397SS..  trans-86.2139.1175.2-174.10000109.3A318 G322 A323 E327 Q329A318-V320 PolarHBondContact O-N 3.34Å; V320-G322 PolarHBondContact O-N 3.29Å; V320-A323 HydrophobicContact CB-CB 4.19Å; V320-A323 PolarHBondContact O-N 3.35Å; V320-E327 HydrophobicContact CG2-CB 4.01Å; V320-E327 HydrophobicContact CG2-CG 4.49Å; V320-Q329 HydrophobicContact CG2-CG 3.88Å
321K61.1Low70.3Confident214 Ų21459.5 Ų59.593%0.9336%0.357SS*.THydrogen-bonded Turntrans-59.9112.2179.9-165.9175.8-175.41750110.2
322G59.9Low70.7Confident83 Ų8357.9 Ų57.986%0.85635%0.347SS*.THydrogen-bonded Turntrans100.6-7-17900000115.4V320V320-G322 PolarHBondContact O-N 3.29Å
323A65.5Low70.8Confident20 Ų2059 Ų5917%0.16534%0.344CS..  trans-97.7138.9173.800000111.4V320 R431V320-A323 HydrophobicContact CB-CB 4.19Å; V320-A323 PolarHBondContact O-N 3.35Å; A323-R431 PolarHBondContact O-NH1 2.89Å
324C67.4Low71.1Confident15 Ų1557.9 Ų57.910%0.10132%0.323CS..SBendtrans-75.2-44.6177.1176.10000112.5C289 I304 R431C289-C324 WeakPolarHBondContact CA-SG 3.34Å; C289-C324 HydrophobicContact CB-CB 3.96Å; C289-C324 WeakPolarHBondContact CB-SG 3.49Å; C289-C324 WeakPolarHBondContact SG-CA 3.43Å; C289-C324 WeakPolarHBondContact SG-CB 3.43Å; C289-C324 CovalentContact SG-SG 2.03Å; C289-C324 PolarHBondContact SG-SG 2.99Å; I304-C324 HydrophobicContact CD1-CB 4.44Å; C324-R431 PolarHBondContact O-NH1 3.26Å
325C70.6Confident71.5Confident38 Ų3856.5 Ų56.526%0.25733%0.334SS..SBendtrans-93.8155-177.8-57.20000111.7C306 E327C306-C325 VanDerWaalsContact CA-SG 3.57Å; C306-C325 HydrophobicContact CB-CB 3.75Å; C306-C325 WeakPolarHBondContact CB-SG 3.46Å; C306-C325 WeakPolarHBondContact SG-CA 3.23Å; C306-C325 WeakPolarHBondContact SG-CB 3.45Å; C306-C325 CovalentContact SG-SG 2.04Å; C306-C325 PolarHBondContact SG-SG 2.97Å; C325-E327 PolarHBondContact O-N 3.26Å
326M67.6Low71.2Confident62 Ų6265 Ų6531%0.30537%0.372SS..  trans-64.6131.1172.3-67.7-178.5-178.800109.9P309 P317 Y319P309-M326 HydrophobicContact CG-CB 4.06Å; P309-M326 HydrophobicContact CG-SD 4.39Å; P317-M326 HydrophobicContact CB-CB 4.05Å; P317-M326 HydrophobicContact CB-SD 3.84Å; Y319-M326 HydrophobicContact CD1-CG 3.92Å; Y319-M326 HydrophobicContact CD2-CE 4.29Å; Y319-M326 HydrophobicContact CD2-CG 4.48Å; Y319-M326 HydrophobicContact CE1-CE 4.28Å; Y319-M326 HydrophobicContact CE1-CG 3.62Å; Y319-M326 HydrophobicContact CE2-CE 3.45Å; Y319-M326 VanDerWaalsContact CE2-CE 3.45Å; Y319-M326 HydrophobicContact CE2-CG 4.22Å; Y319-M326 HydrophobicContact CG-CG 4.36Å; Y319-M326 VanDerWaalsContact CZ-CE 3.45Å; Y319-M326 WeakPolarHBondContact OH-CE 3.29Å
327E74.6Confident71Confident97 Ų9768 Ų6845%0.45338%0.383SS..EExtended strand (participates in β ladder)trans-109.9150.5174.2-64.1-178.4-177.800109.2A318 V320 C325 Q329A318-E327 PolarHBondContact N-O 3.44Å; A318-E327 PolarHBondContact O-N 3.12Å; V320-E327 HydrophobicContact CG2-CB 4.01Å; V320-E327 HydrophobicContact CG2-CG 4.49Å; C325-E327 PolarHBondContact O-N 3.26Å; E327-Q329 PolarHBondContact O-N 3.18Å; E327-Q329 VanDerWaalsContact O-N 3.12Å
328C77.6Confident71Confident51 Ų5171 Ų7135%0.34539%0.392SS..EExtended strand (participates in β ladder)trans-74.4104.8178.3-60.50000109.6C311C311-C328 WeakPolarHBondContact CA-SG 3.32Å; C311-C328 HydrophobicContact CB-CB 3.79Å; C311-C328 WeakPolarHBondContact CB-SG 3.45Å; C311-C328 WeakPolarHBondContact SG-CA 3.5Å; C311-C328 WeakPolarHBondContact SG-CB 3.27Å; C311-C328 CovalentContact SG-SG 2.04Å; C311-C328 PolarHBondContact SG-SG 2.78Å
329Q73.4Confident71.1Confident41 Ų4170.8 Ų70.819%0.19239%0.388CS..EExtended strand (participates in β ladder)trans-94145.7178.5-72.5-62.4-47.500111.2T315 T316 A318 V320 E327 V340T315-Q329 CarbonylContact C-O 3.58Å; T315-Q329 WeakPolarHBondContact CA-O 3.22Å; T315-Q329 VanDerWaalsContact CB-O 3.28Å; T315-Q329 WeakPolarHBondContact CB-O 3.39Å; T316-Q329 PolarHBondContact N-O 2.74Å; T316-Q329 PolarHBondContact O-N 3.03Å; A318-Q329 HydrophobicContact CB-CB 4.15Å; A318-Q329 HydrophobicContact CB-CG 4.06Å; V320-Q329 HydrophobicContact CG2-CG 3.88Å; E327-Q329 PolarHBondContact O-N 3.18Å; E327-Q329 VanDerWaalsContact O-N 3.12Å; Q329-V340 HydrophobicContact CB-CB 4.33Å
330P76.9Confident71.5Confident28 Ų2868.3 Ų68.318%0.18238%0.381CS..EExtended strand (participates in β ladder)trans-62.6141.1172.7-12.926.9000111.1E341 R362P330-E341 WeakPolarHBondContact CG-OE2 3.3Å; P330-E341 PolarHBondContact O-N 3.4Å; P330-R362 HydrophobicContact CB-CG 3.72Å
331V76.9Confident71.8Confident8 Ų869.1 Ų69.15%0.04838%0.382CS..EExtended strand (participates in β ladder)trans-101.2134.9177.1-178.70000110.3D314 T316 E338 L339D314-V331 PolarHBondContact O-N 3.33Å; T316-V331 HydrophobicContact CG2-CG2 3.62Å; T316-V331 WeakPolarHBondContact OG1-CG2 3.29Å; V331-E338 HydrophobicContact CG1-CB 3.6Å; V331-E338 HydrophobicContact CG1-CG 3.97Å; V331-L339 CarbonylContact C-O 3.59Å; V331-L339 WeakPolarHBondContact CA-O 3.44Å
332C80.1Confident72.2Confident1 Ų161 Ų611%0.00736%0.358CS..EExtended strand (participates in β ladder)trans-98.8128.8161.9-58.20000109.4L339 C359 R362 T363 M364C332-L339 PolarHBondContact N-O 1.97Å; C332-L339 PolarHBondContact O-N 2.87Å; C332-C359 HydrophobicContact CB-CB 3.64Å; C332-C359 WeakPolarHBondContact CB-SG 2.82Å; C332-C359 WeakPolarHBondContact SG-CA 3.48Å; C332-C359 WeakPolarHBondContact SG-CB 3.39Å; C332-C359 CovalentContact SG-SG 2.02Å; C332-C359 PolarHBondContact SG-SG 2.8Å; C332-R362 VanDerWaalsContact SG-CA 3.58Å; C332-T363 PolarHBondContact SG-N 2.97Å; C332-T363 VanDerWaalsContact SG-N 3.4Å; C332-M364 HydrophobicContact CB-CG 4.14Å; C332-M364 HydrophobicContact CB-SD 3.9Å
333H75.1Confident73Confident113 Ų11360 Ų6052%0.52333%0.333SS..EExtended strand (participates in β ladder)trans-88.1122173.5-62.3-79.7000110.2E338H333-E338 IonicContact CE1-OE1 3.46Å; H333-E338 PolarHBondContact CE1-OE1 3.42Å; H333-E338 IonicContact ND1-OE1 3.92Å
334F69.6Low73.6Confident66 Ų6662.1 Ų62.129%0.28934%0.34SS..EExtended strand (participates in β ladder)trans-128.691.4176.2-170.2-96.2000110.8E337 L339 K345 V347 M364F334-E337 PolarHBondContact N-O 2.73Å; F334-E337 PolarHBondContact O-N 3.37Å; F334-L339 HydrophobicContact CB-CD1 3.91Å; F334-K345 HydrophobicContact CD1-CD 3.71Å; F334-K345 HydrophobicContact CE1-CD 4.11Å; F334-V347 HydrophobicContact CE1-CG2 3.82Å; F334-V347 HydrophobicContact CZ-CG2 3.54Å; F334-M364 HydrophobicContact CB-CE 4.4Å; F334-M364 HydrophobicContact CB-CG 4.09Å; F334-M364 HydrophobicContact CB-SD 4.41Å; F334-M364 HydrophobicContact CD2-CB 4.24Å; F334-M364 HydrophobicContact CD2-CE 4.15Å; F334-M364 HydrophobicContact CD2-CG 3.77Å; F334-M364 HydrophobicContact CG-CE 4.24Å; F334-M364 HydrophobicContact CG-CG 4.29Å
335G73.9Confident74.1Confident78 Ų7863 Ų6380%0.80434%0.342SS*.THydrogen-bonded Turntrans75.6-125.9-171.600000110.9
336E67.5Low74.3Confident204 Ų20461.7 Ų61.795%0.95333%0.334SS*.THydrogen-bonded Turntrans-93.4-0.2174.4-66-174.3164.300113.2
337E68.2Low74.6Confident103 Ų10360.4 Ų60.448%0.48133%0.33SS..EExtended strand (participates in β ladder)trans-103.6138.5-178.7-75.3172.8-131.200111.8F334 K345F334-E337 PolarHBondContact N-O 2.73Å; F334-E337 PolarHBondContact O-N 3.37Å; E337-K345 IonicContact OE1-NZ 2.82Å; E337-K345 PolarHBondContact OE1-NZ 2.87Å; E337-K345 WeakPolarHBondContact OE2-CE 3.26Å; E337-K345 IonicContact OE2-NZ 2.63Å; E337-K345 PolarHBondContact OE2-NZ 3.26Å
338E75Confident74.5Confident122 Ų12260.2 Ų60.257%0.5733%0.329SS*.EExtended strand (participates in β ladder)trans-95.3118.6173.1-68.1-174.4171.900108.5V331 H333V331-E338 HydrophobicContact CG1-CB 3.6Å; V331-E338 HydrophobicContact CG1-CG 3.97Å; H333-E338 IonicContact CE1-OE1 3.46Å; H333-E338 PolarHBondContact CE1-OE1 3.42Å; H333-E338 IonicContact ND1-OE1 3.92Å
339L74.5Confident74.4Confident13 Ų1362.9 Ų62.97%0.06833%0.332CS..EExtended strand (participates in β ladder)trans-111.9138.1179.2-65.7169.5000108.9V331 C332 F334 D343 K345 C359 M364V331-L339 CarbonylContact C-O 3.59Å; V331-L339 WeakPolarHBondContact CA-O 3.44Å; C332-L339 PolarHBondContact N-O 1.97Å; C332-L339 PolarHBondContact O-N 2.87Å; F334-L339 HydrophobicContact CB-CD1 3.91Å; L339-D343 HydrophobicContact CB-CB 4.05Å; L339-D343 HydrophobicContact CD2-CB 4.07Å; L339-K345 HydrophobicContact CD1-CB 3.94Å; L339-K345 HydrophobicContact CD1-CD 4.07Å; L339-C359 HydrophobicContact CB-CB 4.35Å; L339-M364 HydrophobicContact CD1-CE 3.66Å; L339-M364 HydrophobicContact CD1-SD 3.85Å
340V78.7Confident73.9Confident29 Ų2969.5 Ų69.518%0.17637%0.369CS..EExtended strand (participates in β ladder)trans-90161.2177.3-65.30000111.5T316 A318 Q329 G342 D343 C359T316-V340 VanDerWaalsContact OG1-CG1 3.31Å; T316-V340 WeakPolarHBondContact OG1-CG1 3.25Å; A318-V340 HydrophobicContact CB-CB 4.41Å; A318-V340 HydrophobicContact CB-CG1 4.09Å; A318-V340 HydrophobicContact CB-CG2 4.22Å; Q329-V340 HydrophobicContact CB-CB 4.33Å; V340-G342 PolarHBondContact O-N 3.02Å; V340-D343 WeakPolarHBondContact CG2-OD2 3.38Å; V340-D343 PolarHBondContact N-OD2 3.09Å; V340-D343 VanDerWaalsContact O-CB 3.27Å; V340-D343 WeakPolarHBondContact O-CB 3.2Å; V340-D343 PolarHBondContact O-N 2.84Å; V340-C359 WeakPolarHBondContact O-CB 3.48Å
341E73.5Confident73.2Confident66 Ų6673 Ų7331%0.30839%0.394SS..THydrogen-bonded Turntrans-47.5120.8177.5-164.8100.2-160.500111.8P330 E361P330-E341 WeakPolarHBondContact CG-OE2 3.3Å; P330-E341 PolarHBondContact O-N 3.4Å; E341-E361 PolarHBondContact OE1-N 3.26Å
342G70.7Confident72.5Confident43 Ų4376.1 Ų76.144%0.44343%0.428SS..THydrogen-bonded Turntrans93.4-11.5-176.600000115.7V340 C359V340-G342 PolarHBondContact O-N 3.02Å; G342-C359 PolarHBondContact N-O 2.64Å
343D75.8Confident72Confident61 Ų6183.5 Ų83.533%0.32646%0.456SS..  trans-67.4138.8173.9-77.6-17.9000111.1L339 V340 E358 C359L339-D343 HydrophobicContact CB-CB 4.05Å; L339-D343 HydrophobicContact CD2-CB 4.07Å; V340-D343 WeakPolarHBondContact CG2-OD2 3.38Å; V340-D343 PolarHBondContact N-OD2 3.09Å; V340-D343 VanDerWaalsContact O-CB 3.27Å; V340-D343 WeakPolarHBondContact O-CB 3.2Å; V340-D343 PolarHBondContact O-N 2.84Å; D343-E358 WeakPolarHBondContact O-CA 3.48Å; D343-C359 PolarHBondContact O-N 2.88Å
344Q78.9Confident72Confident66 Ų6679.5 Ų79.531%0.30844%0.44SS..EExtended strand (participates in β ladder)trans-115134.3179.9-60.7-175.7-10.200110.4L356 S357 E358 N388Q344-L356 HydrophobicContact CB-CD1 4.07Å; Q344-L356 HydrophobicContact CB-CG 4.35Å; Q344-S357 WeakPolarHBondContact CA-O 3.47Å; Q344-E358 HydrophobicContact CG-CB 4.03Å; Q344-E358 HydrophobicContact CG-CG 4.03Å; Q344-E358 PolarHBondContact NE2-OE1 3.4Å; Q344-N388 WeakPolarHBondContact O-CA 3.29Å; Q344-N388 WeakPolarHBondContact O-CB 3.48Å
345K77.3Confident72.4Confident32 Ų3278 Ų7814%0.13943%0.434CS..EExtended strand (participates in β ladder)trans-125.7130.5176.2-171.2164.8178.2173.40110.8F334 E337 L339 S357 M364F334-K345 HydrophobicContact CD1-CD 3.71Å; F334-K345 HydrophobicContact CE1-CD 4.11Å; E337-K345 IonicContact OE1-NZ 2.82Å; E337-K345 PolarHBondContact OE1-NZ 2.87Å; E337-K345 WeakPolarHBondContact OE2-CE 3.26Å; E337-K345 IonicContact OE2-NZ 2.63Å; E337-K345 PolarHBondContact OE2-NZ 3.26Å; L339-K345 HydrophobicContact CD1-CB 3.94Å; L339-K345 HydrophobicContact CD1-CD 4.07Å; K345-S357 PolarHBondContact N-O 2.94Å; K345-S357 PolarHBondContact O-N 2.76Å; K345-M364 HydrophobicContact CB-CE 4.47Å
346A73.9Confident72.7Confident11 Ų1175.1 Ų75.19%0.09140%0.4CS..EExtended strand (participates in β ladder)trans-92.4123.4178.600000110.3L356 T387A346-L356 HydrophobicContact CB-CD1 4.1Å; A346-T387 PolarHBondContact N-O 3.11Å
347V75.4Confident73.3Confident36 Ų3665.9 Ų65.922%0.21836%0.358CS..EExtended strand (participates in β ladder)trans-104.2114.7174.6-174.30000108.3F334 Y349 C354 Q355F334-V347 HydrophobicContact CE1-CG2 3.82Å; F334-V347 HydrophobicContact CZ-CG2 3.54Å; V347-Y349 HydrophobicContact CG1-CE1 4.35Å; V347-Y349 HydrophobicContact CG1-CE2 4.43Å; V347-C354 WeakPolarHBondContact O-CA 3.48Å; V347-Q355 PolarHBondContact N-O 2.91Å; V347-Q355 PolarHBondContact O-N 3.49Å
348H71.6Confident74Confident93 Ų9363.6 Ų63.643%0.43135%0.347SS..EExtended strand (participates in β ladder)trans-96118.7179.7-63.6-92.7000110C354H348-C354 PolarHBondContact CE1-SG 3.36Å
349Y75.3Confident74.3Confident107 Ų10757.8 Ų57.842%0.4232%0.32SS..  trans-90.8149.4175.1-60.4-81.5000110.8V347 S351 G352 R353 Q355V347-Y349 HydrophobicContact CG1-CE1 4.35Å; V347-Y349 HydrophobicContact CG1-CE2 4.43Å; Y349-S351 PolarHBondContact O-N 3.11Å; Y349-G352 PolarHBondContact O-N 2.03Å; Y349-R353 WeakPolarHBondContact CD2-O 3.37Å; Y349-R353 PolarHBondContact N-O 2.73Å; Y349-Q355 HydrophobicContact CE2-CB 3.72Å; Y349-Q355 PolarHBondContact OH-OE1 2.03Å
350N63.7Low74.4Confident180 Ų18063.7 Ų63.796%0.96334%0.342SS*.THydrogen-bonded Turntrans-58-13.4179-71.40.4000114.6G352N350-G352 VanDerWaalsContact C-N 3.27Å; N350-G352 PolarHBondContact O-N 3.21Å
351S61.7Low74.1Confident100 Ų10068.4 Ų68.470%0.69936%0.362SS*.THydrogen-bonded Turntrans-82.44.5174.655.50000114.3Y349 R353Y349-S351 PolarHBondContact O-N 3.11Å; S351-R353 PolarHBondContact O-N 3.44Å
352G62.3Low74Confident75 Ų7572.7 Ų72.777%0.77338%0.375SS*.SBendtrans79.20.2-177.300000114Y349 N350Y349-G352 PolarHBondContact O-N 2.03Å; N350-G352 VanDerWaalsContact C-N 3.27Å; N350-G352 PolarHBondContact O-N 3.21Å
353R69.4Low74.2Confident156 Ų15674.3 Ų74.359%0.58938%0.377SS*.  trans-82128.4173.8-166.7175.9-175175.72.6109.2Y349 S351Y349-R353 WeakPolarHBondContact CD2-O 3.37Å; Y349-R353 PolarHBondContact N-O 2.73Å; S351-R353 PolarHBondContact O-N 3.44Å
354C75.1Confident74.2Confident29 Ų2973.6 Ų73.620%0.19637%0.372CS..EExtended strand (participates in β ladder)trans-103.8139.2169.1-174.60000110.6V347 H348 C390V347-C354 WeakPolarHBondContact O-CA 3.48Å; H348-C354 PolarHBondContact CE1-SG 3.36Å; C354-C390 VanDerWaalsContact C-SG 3.55Å; C354-C390 HydrophobicContact CB-CB 3.47Å; C354-C390 VanDerWaalsContact CB-CB 3.47Å; C354-C390 WeakPolarHBondContact CB-SG 3.32Å; C354-C390 WeakPolarHBondContact SG-CA 3.43Å; C354-C390 WeakPolarHBondContact SG-CB 3.06Å; C354-C390 CovalentContact SG-SG 2.03Å; C354-C390 PolarHBondContact SG-SG 2.03Å
355Q78.7Confident74.1Confident35 Ų3574.4 Ų74.416%0.16438%0.375CS..EExtended strand (participates in β ladder)trans-122.1119174.6177.4174.6-17.500109.4V347 Y349 R366V347-Q355 PolarHBondContact N-O 2.91Å; V347-Q355 PolarHBondContact O-N 3.49Å; Y349-Q355 HydrophobicContact CE2-CB 3.72Å; Y349-Q355 PolarHBondContact OH-OE1 2.03Å; Q355-R366 HydrophobicContact CG-CG 4.01Å; Q355-R366 VanDerWaalsContact NE2-CD 3.34Å
356L80Confident74.1Confident17 Ų1779 Ų799%0.08939%0.392CS..EExtended strand (participates in β ladder)trans-86.7130.7173.2-164.767.3000109.2Q344 A346 V367 N388Q344-L356 HydrophobicContact CB-CD1 4.07Å; Q344-L356 HydrophobicContact CB-CG 4.35Å; A346-L356 HydrophobicContact CB-CD1 4.1Å; L356-V367 HydrophobicContact CB-CB 4.29Å; L356-V367 HydrophobicContact CD2-CB 4.29Å; L356-V367 HydrophobicContact CD2-CG1 4.35Å; L356-V367 HydrophobicContact CG-CB 4.41Å; L356-V367 PolarHBondContact O-N 2.85Å; L356-N388 WeakPolarHBondContact CD1-O 3.47Å
357S79Confident74.2Confident9 Ų980.5 Ų80.56%0.06340%0.4CS..EExtended strand (participates in β ladder)trans-124.1135.8174.3-53.40000108.7Q344 K345 M364 H365Q344-S357 WeakPolarHBondContact CA-O 3.47Å; K345-S357 PolarHBondContact N-O 2.94Å; K345-S357 PolarHBondContact O-N 2.76Å; S357-M364 WeakPolarHBondContact O-CE 3.46Å; S357-H365 CarbonylContact C-O 3.48Å; S357-H365 VanDerWaalsContact CA-O 3.25Å; S357-H365 WeakPolarHBondContact CA-O 3.25Å
358E82.8Confident74Confident55 Ų5584.2 Ų84.226%0.25742%0.422SS..EExtended strand (participates in β ladder)trans-114.8137.8-178.1178.4174.6-114.700109.6D343 Q344 R360 H365 V367D343-E358 WeakPolarHBondContact O-CA 3.48Å; Q344-E358 HydrophobicContact CG-CB 4.03Å; Q344-E358 HydrophobicContact CG-CG 4.03Å; Q344-E358 PolarHBondContact NE2-OE1 3.4Å; E358-R360 PolarHBondContact O-N 2.75Å; E358-H365 PolarHBondContact N-O 2.99Å; E358-H365 PolarHBondContact O-N 2.96Å; E358-V367 HydrophobicContact CB-CG2 3.5Å; E358-V367 VanDerWaalsContact CB-CG2 3.5Å
359C81.1Confident73.5Confident1 Ų183.7 Ų83.71%0.00742%0.421CS..EExtended strand (participates in β ladder)trans-74.1115.1172.4175.10000109.8C332 L339 V340 G342 D343 M364C332-C359 HydrophobicContact CB-CB 3.64Å; C332-C359 WeakPolarHBondContact CB-SG 2.82Å; C332-C359 WeakPolarHBondContact SG-CA 3.48Å; C332-C359 WeakPolarHBondContact SG-CB 3.39Å; C332-C359 CovalentContact SG-SG 2.02Å; C332-C359 PolarHBondContact SG-SG 2.8Å; L339-C359 HydrophobicContact CB-CB 4.35Å; V340-C359 WeakPolarHBondContact O-CB 3.48Å; G342-C359 PolarHBondContact N-O 2.64Å; D343-C359 PolarHBondContact O-N 2.88Å; C359-M364 HydrophobicContact CB-SD 3.83Å
360R77.3Confident72.7Confident136 Ų13685.4 Ų85.451%0.51344%0.443SS..EExtended strand (participates in β ladder)trans-140.4132.6174.9178.5176.7176.4167.43.6110E358 R362 T363 H365E358-R360 PolarHBondContact O-N 2.75Å; R360-R362 VanDerWaalsContact C-N 3.27Å; R360-R362 PolarHBondContact O-N 3.43Å; R360-T363 PolarHBondContact N-O 3.02Å; R360-T363 PolarHBondContact O-N 3.44Å; R360-H365 PolarHBondContact O-CD2 3.07Å; R360-H365 VanDerWaalsContact O-CD2 3.27Å
361E72.8Confident72.5Confident129 Ų12980.6 Ų80.660%0.60342%0.423SS*.THydrogen-bonded Turntrans50.446.7179.2-64.4171.5-15200112.1E341 T363E341-E361 PolarHBondContact OE1-N 3.26Å; E361-T363 PolarHBondContact O-N 2.82Å; E361-T363 VanDerWaalsContact O-N 3.12Å
362R71.9Confident72.9Confident156 Ų15681.7 Ų81.759%0.58943%0.428SS*.THydrogen-bonded Turntrans64.95.8179.9-52.6172.5-177.8-151.8-3.9116P330 C332 R360P330-R362 HydrophobicContact CB-CG 3.72Å; C332-R362 VanDerWaalsContact SG-CA 3.58Å; R360-R362 VanDerWaalsContact C-N 3.27Å; R360-R362 PolarHBondContact O-N 3.43Å
363T73.3Confident73.1Confident77 Ų7781.2 Ų81.247%0.47241%0.412SS..EExtended strand (participates in β ladder)trans-127.8151.1176.263.50000111.7C332 R360 E361 H365C332-T363 PolarHBondContact SG-N 2.97Å; C332-T363 VanDerWaalsContact SG-N 3.4Å; R360-T363 PolarHBondContact N-O 3.02Å; R360-T363 PolarHBondContact O-N 3.44Å; E361-T363 PolarHBondContact O-N 2.82Å; E361-T363 VanDerWaalsContact O-N 3.12Å; T363-H365 PolarHBondContact O-CD2 3.32Å; T363-H365 PolarHBondContact O-N 2.04Å; T363-H365 PolarHBondContact OG1-NE2 2.04Å; T363-H365 VanDerWaalsContact OG1-NE2 3.13Å
364M76.8Confident73.2Confident45 Ų4578.4 Ų78.422%0.22241%0.414CS..EExtended strand (participates in β ladder)trans-81.5110.5179.6-70.4-66.4-68.300110C332 F334 L339 K345 S357 C359C332-M364 HydrophobicContact CB-CG 4.14Å; C332-M364 HydrophobicContact CB-SD 3.9Å; F334-M364 HydrophobicContact CB-CE 4.4Å; F334-M364 HydrophobicContact CB-CG 4.09Å; F334-M364 HydrophobicContact CB-SD 4.41Å; F334-M364 HydrophobicContact CD2-CB 4.24Å; F334-M364 HydrophobicContact CD2-CE 4.15Å; F334-M364 HydrophobicContact CD2-CG 3.77Å; F334-M364 HydrophobicContact CG-CE 4.24Å; F334-M364 HydrophobicContact CG-CG 4.29Å; L339-M364 HydrophobicContact CD1-CE 3.66Å; L339-M364 HydrophobicContact CD1-SD 3.85Å; K345-M364 HydrophobicContact CB-CE 4.47Å; S357-M364 WeakPolarHBondContact O-CE 3.46Å; C359-M364 HydrophobicContact CB-SD 3.83Å
365H77.9Confident73Confident84 Ų8485.9 Ų85.939%0.38945%0.446SS..EExtended strand (participates in β ladder)trans-93.4137.9176.6-75.6-90.7000111S357 E358 R360 T363 V367S357-H365 CarbonylContact C-O 3.48Å; S357-H365 VanDerWaalsContact CA-O 3.25Å; S357-H365 WeakPolarHBondContact CA-O 3.25Å; E358-H365 PolarHBondContact N-O 2.99Å; E358-H365 PolarHBondContact O-N 2.96Å; R360-H365 PolarHBondContact O-CD2 3.07Å; R360-H365 VanDerWaalsContact O-CD2 3.27Å; T363-H365 PolarHBondContact O-CD2 3.32Å; T363-H365 PolarHBondContact O-N 2.04Å; T363-H365 PolarHBondContact OG1-NE2 2.04Å; T363-H365 VanDerWaalsContact OG1-NE2 3.13Å; H365-V367 PolarHBondContact O-N 2.97Å
366R76.4Confident72.8Confident129 Ų12987.1 Ų87.149%0.48745%0.454SS..EExtended strand (participates in β ladder)trans-74.9124.7175.9-177.8-178.2-173164.19.6110.3Q355Q355-R366 HydrophobicContact CG-CG 4.01Å; Q355-R366 VanDerWaalsContact NE2-CD 3.34Å
367V76.1Confident72.5Confident42 Ų4294.5 Ų94.526%0.25549%0.493SS..EExtended strand (participates in β ladder)trans-88.7123.7172-174.60000108.9L356 E358 H365L356-V367 HydrophobicContact CB-CB 4.29Å; L356-V367 HydrophobicContact CD2-CB 4.29Å; L356-V367 HydrophobicContact CD2-CG1 4.35Å; L356-V367 HydrophobicContact CG-CB 4.41Å; L356-V367 PolarHBondContact O-N 2.85Å; E358-V367 HydrophobicContact CB-CG2 3.5Å; E358-V367 VanDerWaalsContact CB-CG2 3.5Å; H365-V367 PolarHBondContact O-N 2.97Å
368V70Confident72.4Confident113 Ų11394.9 Ų94.969%0.68550%0.495SS*.  trans-86.1112.6175.4-177.40000108.2T370V368-T370 PolarHBondContact O-N 2.78Å
369M61.9Low72.2Confident83 Ų8395.6 Ų95.641%0.40951%0.505SS..  trans-67.8118.4174.6-66.5179.570.200109.8C390M369-C390 HydrophobicContact CE-CB 4.11Å; M369-C390 HydrophobicContact SD-CB 3.59Å; M369-C390 VanDerWaalsContact SD-CB 3.59Å
370T58.3Low71.9Confident142 Ų142103.2 Ų103.287%0.87154%0.54SS*.  trans-86.8-15.2-177.645.40000113.5V368V368-T370 PolarHBondContact O-N 2.78Å
371S60.7Low71.7Confident80 Ų80102 Ų10256%0.55955%0.553SS**SBendtrans-123.9145.1177.8540000112.4
372P68.6Low71.9Confident123 Ų123100.3 Ų100.380%0.79955%0.545SS*.PPolyproline II helixtrans-67.2150.9167.727.5-30.9000110.7
373C68.1Low72.3Confident64 Ų6495 Ų9543%0.43253%0.527SS..PPolyproline II helixtrans-59.3141.5178.4-68.70000111.2C391C373-C391 VanDerWaalsContact CA-SG 3.51Å; C373-C391 HydrophobicContact CB-CB 3.83Å; C373-C391 WeakPolarHBondContact CB-SG 3.1Å; C373-C391 WeakPolarHBondContact SG-CA 3.13Å; C373-C391 WeakPolarHBondContact SG-CB 3.28Å; C373-C391 CovalentContact SG-SG 2.05Å; C373-C391 PolarHBondContact SG-SG 3.19Å
374P70.5Confident72.4Confident98 Ų9893.5 Ų93.564%0.63652%0.517SS*.PPolyproline II helixtrans-63146.2177.325.8-32.5000111L376P374-L376 PolarHBondContact O-N 3.13Å
375E71.2Confident72.3Confident186 Ų18695.4 Ų95.487%0.86953%0.531SS*.PPolyproline II helixtrans-65.3127.1173.8-69.2-167.2168.400109.9
376L73.3Confident72Confident61 Ų6192.5 Ų92.532%0.31952%0.519SS..PPolyproline II helixtrans-92.7130.6-178.8-63.9171.1000109.9P374 C378 Q383 K392P374-L376 PolarHBondContact O-N 3.13Å; L376-C378 PolarHBondContact O-N 2.7Å; L376-Q383 HydrophobicContact CD1-CG 4.1Å; L376-K392 HydrophobicContact CD1-CB 3.88Å; L376-K392 VanDerWaalsContact CD1-O 3.3Å; L376-K392 WeakPolarHBondContact CD1-O 3.18Å
377N73.8Confident71.7Confident171 Ų17191.4 Ų91.491%0.91453%0.527SS*.SBendtrans-82.316.3-180-67.3-35.6000113.7
378C77.3Confident71.4Confident17 Ų1793.2 Ų93.212%0.11554%0.535CS..SBendtrans-121.6149.5-176.660.40000112.8L376 E382 Q383 C394L376-C378 PolarHBondContact O-N 2.7Å; C378-E382 HydrophobicContact CB-CB 4.4Å; C378-Q383 PolarHBondContact O-NE2 2.94Å; C378-C394 HydrophobicContact CB-CB 3.69Å; C378-C394 WeakPolarHBondContact CB-SG 2.88Å; C378-C394 WeakPolarHBondContact SG-CA 3.05Å; C378-C394 WeakPolarHBondContact SG-CB 3.07Å; C378-C394 CovalentContact SG-SG 2.03Å; C378-C394 PolarHBondContact SG-SG 2.77Å
379P79.4Confident71.5Confident71 Ų7193.1 Ų93.146%0.46152%0.522SS..  trans-64.5153.8177.326.8-33.6000111.8S381 E382P379-S381 PolarHBondContact O-N 2.88Å; P379-E382 HydrophobicContact CG-CB 4.41Å; P379-E382 HydrophobicContact CG-CG 4.14Å; P379-E382 PolarHBondContact O-N 3.11Å
380E74.5Confident72.1Confident160 Ų16090 Ų9075%0.74851%0.508SS*.G310 helixtrans-56.6-25.5-176.6-68-169154.400114.1E382 Q383E380-E382 PolarHBondContact O-N 2.9Å; E380-Q383 PolarHBondContact O-N 3.3Å
381S73.6Confident73Confident110 Ų11084.7 Ų84.777%0.76948%0.477SS*.G310 helixtrans-68.2-19.117653.60000114.4P379P379-S381 PolarHBondContact O-N 2.88Å
382E76Confident73.8Confident94 Ų9485 Ų8544%0.43947%0.468SS..G310 helixtrans-109.32.6-179.1-65.9179.818000112.2C378 P379 E380 V384 C394 R395C378-E382 HydrophobicContact CB-CB 4.4Å; P379-E382 HydrophobicContact CG-CB 4.41Å; P379-E382 HydrophobicContact CG-CG 4.14Å; P379-E382 PolarHBondContact O-N 3.11Å; E380-E382 PolarHBondContact O-N 2.9Å; E382-V384 PolarHBondContact O-N 3.36Å; E382-C394 CarbonylContact O-C 3.2Å; E382-R395 HydrophobicContact CB-CB 4.4Å; E382-R395 PolarHBondContact O-N 2.99Å
383Q79.6Confident74.3Confident46 Ų4679.8 Ų79.822%0.21543%0.434CS..EExtended strand (participates in β ladder)trans-83.7114.9177.7-66.2176.310.800110.2L376 C378 E380 K392 V393L376-Q383 HydrophobicContact CD1-CG 4.1Å; C378-Q383 PolarHBondContact O-NE2 2.94Å; E380-Q383 PolarHBondContact O-N 3.3Å; Q383-K392 HydrophobicContact CB-CB 4.17Å; Q383-K392 HydrophobicContact CB-CD 3.82Å; Q383-V393 CarbonylContact C-O 3.52Å; Q383-V393 WeakPolarHBondContact CA-O 3.06Å
384V75.9Confident74.9Confident44 Ų4478.2 Ų78.227%0.26742%0.423SS..EExtended strand (participates in β ladder)trans-93.3130.3177.6-174.40000109.4E382 K392 V393 R395E382-V384 PolarHBondContact O-N 3.36Å; V384-K392 WeakPolarHBondContact O-CA 3.22Å; V384-V393 HydrophobicContact CB-CG2 4.33Å; V384-V393 PolarHBondContact N-O 3.35Å; V384-V393 PolarHBondContact O-N 2.74Å; V384-R395 HydrophobicContact CG2-CB 4.39Å
385T74.8Confident75.2Confident85 Ų8581.4 Ų81.452%0.52142%0.422SS..PPolyproline II helixtrans-89.4124170.548.40000109.5K392T385-K392 HydrophobicContact CG2-CD 4.09Å; T385-K392 HydrophobicContact CG2-CG 3.84Å
386L73Confident75.1Confident24 Ų2475.8 Ų75.813%0.12642%0.415CS..PPolyproline II helixtrans-95.3144.9176.1-64.4163.8000109.8N388 R389 V393 F399L386-N388 PolarHBondContact O-N 2.98Å; L386-R389 VanDerWaalsContact O-O 3.11Å; L386-V393 HydrophobicContact CD1-CG1 4.13Å; L386-V393 HydrophobicContact CD1-CG2 3.77Å; L386-V393 HydrophobicContact CG-CG2 4.18Å; L386-F399 HydrophobicContact CD1-CE1 3.85Å; L386-F399 HydrophobicContact CD1-CZ 4.28Å; L386-F399 HydrophobicContact CD2-CE1 4.41Å; L386-F399 HydrophobicContact CD2-CZ 4.21Å
387T69.9Low75.4Confident106 Ų10675.7 Ų75.765%0.6541%0.413SS*.THydrogen-bonded Turntrans-66.3-24.9-178.947.20000113.6A346A346-T387 PolarHBondContact N-O 3.11Å
388N69.8Low75.5Confident79 Ų7971.4 Ų71.442%0.42239%0.389SS..THydrogen-bonded Turntrans-108.14.6-170.8-61.213.3000112.8Q344 L356 L386Q344-N388 WeakPolarHBondContact O-CA 3.29Å; Q344-N388 WeakPolarHBondContact O-CB 3.48Å; L356-N388 WeakPolarHBondContact CD1-O 3.47Å; L386-N388 PolarHBondContact O-N 2.98Å
389R72.1Confident75.6Confident111 Ų11171.4 Ų71.442%0.41939%0.388SS..  trans-143.7142-178.4-63-172.5-175.8175.96.8112L386 E402L386-R389 VanDerWaalsContact O-O 3.11Å; R389-E402 IonicContact CZ-OE2 3.18Å; R389-E402 VanDerWaalsContact NH1-CD 3.26Å; R389-E402 IonicContact NH1-OE1 2.96Å; R389-E402 PolarHBondContact NH1-OE1 2.86Å; R389-E402 IonicContact NH1-OE2 2.76Å; R389-E402 PolarHBondContact NH1-OE2 3.26Å; R389-E402 IonicContact NH2-OE2 2.73Å; R389-E402 PolarHBondContact NH2-OE2 3.31Å
390C74.8Confident75.4Confident17 Ų1769.5 Ų69.512%0.11538%0.375CS..SBendtrans-79.7-24.2-179.6-81.20000114.9C354 M369C354-C390 VanDerWaalsContact C-SG 3.55Å; C354-C390 HydrophobicContact CB-CB 3.47Å; C354-C390 VanDerWaalsContact CB-CB 3.47Å; C354-C390 WeakPolarHBondContact CB-SG 3.32Å; C354-C390 WeakPolarHBondContact SG-CA 3.43Å; C354-C390 WeakPolarHBondContact SG-CB 3.06Å; C354-C390 CovalentContact SG-SG 2.03Å; C354-C390 PolarHBondContact SG-SG 2.03Å; M369-C390 HydrophobicContact CE-CB 4.11Å; M369-C390 HydrophobicContact SD-CB 3.59Å; M369-C390 VanDerWaalsContact SD-CB 3.59Å
391C76.9Confident75.4Confident31 Ų3165.6 Ų65.621%0.20937%0.371CS..SBendtrans-87.9135.5177.3-57.20000110C373C373-C391 VanDerWaalsContact CA-SG 3.51Å; C373-C391 HydrophobicContact CB-CB 3.83Å; C373-C391 WeakPolarHBondContact CB-SG 3.1Å; C373-C391 WeakPolarHBondContact SG-CA 3.13Å; C373-C391 WeakPolarHBondContact SG-CB 3.28Å; C373-C391 CovalentContact SG-SG 2.05Å; C373-C391 PolarHBondContact SG-SG 3.19Å
392K77.2Confident75.2Confident87 Ų8764.5 Ų64.538%0.37835%0.353SS..  trans-71.5155.5173.3-60.2-176.5-174.11770110.1L376 Q383 V384 T385L376-K392 HydrophobicContact CD1-CB 3.88Å; L376-K392 VanDerWaalsContact CD1-O 3.3Å; L376-K392 WeakPolarHBondContact CD1-O 3.18Å; Q383-K392 HydrophobicContact CB-CB 4.17Å; Q383-K392 HydrophobicContact CB-CD 3.82Å; V384-K392 WeakPolarHBondContact O-CA 3.22Å; T385-K392 HydrophobicContact CG2-CD 4.09Å; T385-K392 HydrophobicContact CG2-CG 3.84Å
393V78.9Confident74.6Confident13 Ų1363.1 Ų63.18%0.07936%0.364CS..EExtended strand (participates in β ladder)trans-123156.3172.8-63.90000109.8Q383 V384 L386 H397 F399Q383-V393 CarbonylContact C-O 3.52Å; Q383-V393 WeakPolarHBondContact CA-O 3.06Å; V384-V393 HydrophobicContact CB-CG2 4.33Å; V384-V393 PolarHBondContact N-O 3.35Å; V384-V393 PolarHBondContact O-N 2.74Å; L386-V393 HydrophobicContact CD1-CG1 4.13Å; L386-V393 HydrophobicContact CD1-CG2 3.77Å; L386-V393 HydrophobicContact CG-CG2 4.18Å; V393-H397 HydrophobicContact CB-CB 4.14Å; V393-H397 HydrophobicContact CG2-CB 4.35Å; V393-F399 HydrophobicContact CG2-CE1 4.3Å; V393-F399 HydrophobicContact CG2-CZ 4Å
394C79.9Confident73.9Confident31 Ų3165 Ų6521%0.20937%0.373CS..EExtended strand (participates in β ladder)trans-76.8149.6175.7-59.10000111C378 E382 G396 H397C378-C394 HydrophobicContact CB-CB 3.69Å; C378-C394 WeakPolarHBondContact CB-SG 2.88Å; C378-C394 WeakPolarHBondContact SG-CA 3.05Å; C378-C394 WeakPolarHBondContact SG-CB 3.07Å; C378-C394 CovalentContact SG-SG 2.03Å; C378-C394 PolarHBondContact SG-SG 2.77Å; E382-C394 CarbonylContact O-C 3.2Å; C394-G396 PolarHBondContact O-N 2.78Å; C394-H397 WeakPolarHBondContact O-CB 3.35Å; C394-H397 PolarHBondContact O-N 2.92Å
395R76.8Confident73.4Confident165 Ų16565.7 Ų65.762%0.62339%0.389SS*.THydrogen-bonded Turntrans-60.4134.7172.2-167.1178.4-175-178.62.7110.1E382 V384 H397 E416E382-R395 HydrophobicContact CB-CB 4.4Å; E382-R395 PolarHBondContact O-N 2.99Å; V384-R395 HydrophobicContact CG2-CB 4.39Å; R395-H397 VanDerWaalsContact C-N 3.33Å; R395-E416 IonicContact CZ-OE1 3.23Å; R395-E416 IonicContact NE-OE1 2.86Å; R395-E416 IonicContact NH2-OE1 3.26Å; R395-E416 PolarHBondContact NH2-OE1 2.8Å
396G70.7Confident73.4Confident69 Ų6963.1 Ų63.171%0.71138%0.375SS*.THydrogen-bonded Turntrans82.111.6-172.600000114C394 D398C394-G396 PolarHBondContact O-N 2.78Å; G396-D398 PolarHBondContact O-N 2.06Å
397H79.4Confident73.4Confident59 Ų5964.3 Ų64.327%0.27338%0.383SS..  trans-54.1131.8167.8-172.5-85.3000110.3V393 C394 R395 F399 E402 N414V393-H397 HydrophobicContact CB-CB 4.14Å; V393-H397 HydrophobicContact CG2-CB 4.35Å; C394-H397 WeakPolarHBondContact O-CB 3.35Å; C394-H397 PolarHBondContact O-N 2.92Å; R395-H397 VanDerWaalsContact C-N 3.33Å; H397-F399 HydrophobicContact CB-CE2 4.47Å; H397-F399 HydrophobicContact CB-CZ 4.27Å; H397-F399 AromaticContact ND1-CD1 3.76Å; H397-F399 AromaticContact ND1-CE1 3.8Å; H397-F399 WeakPolarHBondContact O-CD2 3.16Å; H397-F399 PolarHBondContact O-N 3.44Å; H397-E402 IonicContact CE1-OE1 3.04Å; H397-E402 PolarHBondContact CE1-OE1 3.39Å; H397-E402 IonicContact ND1-OE1 3.75Å; H397-E402 IonicContact NE2-OE1 3.68Å; H397-N414 PolarHBondContact O-ND2 2.83Å; H397-N414 PolarHBondContact O-OD1 2.92Å
398D76.1Confident73.3Confident80 Ų8065.9 Ų65.943%0.42838%0.383SS..  trans-81.796.1179.9-170.7-12.7000109.8G396 C400 A401G396-D398 PolarHBondContact O-N 2.06Å; D398-C400 VanDerWaalsContact C-N 3.25Å; D398-C400 WeakPolarHBondContact OD1-CA 3.23Å; D398-C400 VanDerWaalsContact OD1-CB 3.28Å; D398-C400 WeakPolarHBondContact OD1-CB 3.39Å; D398-C400 PolarHBondContact OD1-N 3.17Å; D398-A401 HydrophobicContact CB-CB 4.02Å; D398-A401 PolarHBondContact OD1-N 2.75Å
399F77.4Confident73.6Confident18 Ų1865 Ų658%0.07938%0.376CS..SBendtrans-73.3-18.9176.3-61.6-72000112.4L386 V393 H397 N414 L415 G418 A419L386-F399 HydrophobicContact CD1-CE1 3.85Å; L386-F399 HydrophobicContact CD1-CZ 4.28Å; L386-F399 HydrophobicContact CD2-CE1 4.41Å; L386-F399 HydrophobicContact CD2-CZ 4.21Å; V393-F399 HydrophobicContact CG2-CE1 4.3Å; V393-F399 HydrophobicContact CG2-CZ 4Å; H397-F399 HydrophobicContact CB-CE2 4.47Å; H397-F399 HydrophobicContact CB-CZ 4.27Å; H397-F399 AromaticContact ND1-CD1 3.76Å; H397-F399 AromaticContact ND1-CE1 3.8Å; H397-F399 WeakPolarHBondContact O-CD2 3.16Å; H397-F399 PolarHBondContact O-N 3.44Å; F399-N414 WeakPolarHBondContact CB-OD1 3.42Å; F399-N414 VanDerWaalsContact CD2-OD1 3.25Å; F399-N414 WeakPolarHBondContact CD2-OD1 3.22Å; F399-N414 PolarHBondContact N-OD1 3.42Å; F399-L415 WeakPolarHBondContact CD2-O 3.29Å; F399-L415 WeakPolarHBondContact CE2-O 3.33Å; F399-G418 VanDerWaalsContact CD2-O 3.29Å; F399-G418 WeakPolarHBondContact CD2-O 3.31Å; F399-A419 HydrophobicContact CB-CB 3.9Å
400C76.4Confident74.1Confident30 Ų3060.3 Ų60.320%0.20336%0.36CS..SBendtrans-73.6-35.9175.5-67.60000111.3D398 E402 G403 C412D398-C400 VanDerWaalsContact C-N 3.25Å; D398-C400 WeakPolarHBondContact OD1-CA 3.23Å; D398-C400 VanDerWaalsContact OD1-CB 3.28Å; D398-C400 WeakPolarHBondContact OD1-CB 3.39Å; D398-C400 PolarHBondContact OD1-N 3.17Å; C400-E402 PolarHBondContact O-N 2.84Å; C400-G403 PolarHBondContact O-N 2.69Å; C400-C412 VanDerWaalsContact CA-SG 3.58Å; C400-C412 HydrophobicContact CB-CB 3.79Å; C400-C412 WeakPolarHBondContact CB-SG 3.46Å; C400-C412 VanDerWaalsContact SG-C 3.55Å; C400-C412 WeakPolarHBondContact SG-CB 3.25Å; C400-C412 CovalentContact SG-SG 2.04Å; C400-C412 PolarHBondContact SG-SG 2.81Å
401A74.6Confident74.5Confident79 Ų7963.4 Ų63.465%0.65338%0.376SS*.THydrogen-bonded Turntrans-66.1-19.4176.500000114.1D398 G403D398-A401 HydrophobicContact CB-CB 4.02Å; D398-A401 PolarHBondContact OD1-N 2.75Å; A401-G403 PolarHBondContact O-N 2.87Å
402E69.9Low74.8Confident86 Ų8664.2 Ų64.240%0.40238%0.381SS..THydrogen-bonded Turntrans-77.21.7175.7-63.9-168160.700113.8R389 H397 C400R389-E402 IonicContact CZ-OE2 3.18Å; R389-E402 VanDerWaalsContact NH1-CD 3.26Å; R389-E402 IonicContact NH1-OE1 2.96Å; R389-E402 PolarHBondContact NH1-OE1 2.86Å; R389-E402 IonicContact NH1-OE2 2.76Å; R389-E402 PolarHBondContact NH1-OE2 3.26Å; R389-E402 IonicContact NH2-OE2 2.73Å; R389-E402 PolarHBondContact NH2-OE2 3.31Å; H397-E402 IonicContact CE1-OE1 3.04Å; H397-E402 PolarHBondContact CE1-OE1 3.39Å; H397-E402 IonicContact ND1-OE1 3.75Å; H397-E402 IonicContact NE2-OE1 3.68Å; C400-E402 PolarHBondContact O-N 2.84Å
403G61.6Low75Confident65 Ų6564 Ų6467%0.6738%0.383SS*.THydrogen-bonded Turntrans88.548.6177.500000113.2C400 A401 G405C400-G403 PolarHBondContact O-N 2.69Å; A401-G403 PolarHBondContact O-N 2.87Å; G403-G405 PolarHBondContact O-N 2.86Å
404H65.3Low75Confident86 Ų8666.3 Ų66.340%0.39840%0.395SS..  trans-64130.6170.3-150-90.3000109.6C406 A419H404-C406 PolarHBondContact O-N 2.98Å; H404-A419 HydrophobicContact CB-CB 4.28Å; H404-A419 PolarHBondContact CE1-O 2.88Å; H404-A419 VanDerWaalsContact CE1-O 3.24Å; H404-A419 PolarHBondContact NE2-O 2.8Å; H404-A419 VanDerWaalsContact NE2-O 3.15Å
405G65.2Low74.9Confident59 Ų5969.2 Ų69.261%0.60841%0.408SS*.  trans-70.633.5-16800000116.9G403 V407G403-G405 PolarHBondContact O-N 2.86Å; G405-V407 WeakPolarHBondContact O-CG2 3.27Å
406C75.4Confident74.6Confident31 Ų3168.1 Ų68.121%0.20941%0.41CS..  trans-69.1130.9172.2-53.10000109.5H404 S410 C412 C421H404-C406 PolarHBondContact O-N 2.98Å; C406-S410 WeakPolarHBondContact CB-OG 3.5Å; C406-C412 HydrophobicContact CB-CB 4.47Å; C406-C421 WeakPolarHBondContact CA-SG 3.01Å; C406-C421 HydrophobicContact CB-CB 3.93Å; C406-C421 WeakPolarHBondContact CB-SG 3.31Å; C406-C421 WeakPolarHBondContact SG-CB 2.96Å; C406-C421 CovalentContact SG-SG 2.04Å; C406-C421 PolarHBondContact SG-SG 3.04Å
407V72.9Confident74.4Confident49 Ų4968.5 Ų68.530%0.29741%0.407SS..  trans-106.7170.8-173.8-170.60000110G405 H409 S410 A435 Y436G405-V407 WeakPolarHBondContact O-CG2 3.27Å; V407-H409 PolarHBondContact O-N 2.8Å; V407-S410 PolarHBondContact N-OG 2.99Å; V407-S410 PolarHBondContact O-N 2.79Å; V407-S410 PolarHBondContact O-OG 2.9Å; V407-A435 PolarHBondContact N-O 2.83Å; V407-A435 VanDerWaalsContact N-O 3.08Å; V407-Y436 HydrophobicContact CB-CD1 4.25Å; V407-Y436 HydrophobicContact CB-CE1 3.97Å; V407-Y436 HydrophobicContact CG1-CD1 4.34Å; V407-Y436 HydrophobicContact CG1-CE1 3.84Å; V407-Y436 HydrophobicContact CG2-CD2 4.42Å; V407-Y436 HydrophobicContact CG2-CE1 3.91Å; V407-Y436 HydrophobicContact CG2-CE2 3.81Å
408E68.8Low74.1Confident139 Ų13966.8 Ų66.865%0.6541%0.405SS*.THydrogen-bonded Turntrans-42.1134.7-178-154.5172.6-170.600113S410E408-S410 VanDerWaalsContact C-N 3.33Å
409H76.4Confident74.2Confident59 Ų5963.8 Ų63.827%0.27339%0.391SS..THydrogen-bonded Turntrans71.210.2-173.1-42.6118000117.2V407 K424 F427 C437V407-H409 PolarHBondContact O-N 2.8Å; H409-K424 PolarHBondContact O-N 3.21Å; H409-K424 VanDerWaalsContact O-N 3.14Å; H409-F427 HydrophobicContact CB-CD1 3.62Å; H409-F427 HydrophobicContact CB-CD2 4.42Å; H409-F427 HydrophobicContact CB-CE1 3.63Å; H409-F427 HydrophobicContact CB-CE2 4.41Å; H409-F427 HydrophobicContact CB-CG 4.06Å; H409-F427 HydrophobicContact CB-CZ 4.05Å; H409-F427 AromaticContact CD2-CE1 3.69Å; H409-F427 AromaticContact CD2-CZ 3.56Å; H409-F427 AromaticContact CG-CD1 3.91Å; H409-F427 AromaticContact CG-CE1 3.38Å; H409-F427 AromaticContact CG-CZ 3.73Å; H409-F427 AromaticContact ND1-CE1 3.7Å; H409-C437 HydrophobicContact CB-CB 4.48Å
410S82.1Confident74.4Confident14 Ų1465.7 Ų65.710%0.09841%0.406CS..EExtended strand (participates in β ladder)trans-115.2145.816569.90000111.7C406 V407 E408 S422 A435C406-S410 WeakPolarHBondContact CB-OG 3.5Å; V407-S410 PolarHBondContact N-OG 2.99Å; V407-S410 PolarHBondContact O-N 2.79Å; V407-S410 PolarHBondContact O-OG 2.9Å; E408-S410 VanDerWaalsContact C-N 3.33Å; S410-S422 CarbonylContact C-O 3.6Å; S410-S422 VanDerWaalsContact CA-O 3.31Å; S410-S422 WeakPolarHBondContact CA-O 3.38Å; S410-A435 PolarHBondContact OG-O 3.01Å
411D82.1Confident74.7Confident82 Ų8264.6 Ų64.644%0.43940%0.398SS..EExtended strand (participates in β ladder)trans-104.6135.5174.8-72.1-35.3000110.5C421 S422 K424D411-C421 CarbonylContact O-C 3.43Å; D411-C421 WeakPolarHBondContact O-CA 2.97Å; D411-S422 PolarHBondContact N-O 2.81Å; D411-S422 PolarHBondContact O-N 2.87Å; D411-K424 WeakPolarHBondContact OD1-CE 3.39Å; D411-K424 IonicContact OD1-NZ 3.18Å; D411-K424 WeakPolarHBondContact OD2-CE 3.47Å; D411-K424 WeakPolarHBondContact OD2-CG 3.36Å
412C83.1Confident75.1Confident47 Ų4763 Ų6332%0.31838%0.382SS..EExtended strand (participates in β ladder)trans-83.3121.7176.5-172.70000110.3C400 C406C400-C412 VanDerWaalsContact CA-SG 3.58Å; C400-C412 HydrophobicContact CB-CB 3.79Å; C400-C412 WeakPolarHBondContact CB-SG 3.46Å; C400-C412 VanDerWaalsContact SG-C 3.55Å; C400-C412 WeakPolarHBondContact SG-CB 3.25Å; C400-C412 CovalentContact SG-SG 2.04Å; C400-C412 PolarHBondContact SG-SG 2.81Å; C406-C412 HydrophobicContact CB-CB 4.47Å
413I82.3Confident75.8Confident82 Ų8259.9 Ų59.942%0.42137%0.37SS..EExtended strand (participates in β ladder)trans-101.4117.4176.5-55.4179000108.2L415 A419 C420I413-L415 HydrophobicContact CG2-CD2 4.28Å; I413-A419 WeakPolarHBondContact O-CA 3.43Å; I413-C420 PolarHBondContact N-O 3.02Å; I413-C420 PolarHBondContact O-N 2.88Å
414N79.2Confident76.8Confident63 Ų6361 Ų6134%0.33736%0.357SS..EExtended strand (participates in β ladder)trans-77.6123.6178.3-164.135.3000110.6H397 F399H397-N414 PolarHBondContact O-ND2 2.83Å; H397-N414 PolarHBondContact O-OD1 2.92Å; F399-N414 WeakPolarHBondContact CB-OD1 3.42Å; F399-N414 VanDerWaalsContact CD2-OD1 3.25Å; F399-N414 WeakPolarHBondContact CD2-OD1 3.22Å; F399-N414 PolarHBondContact N-OD1 3.42Å
415L77.3Confident77.6Confident91 Ų9164.6 Ų64.648%0.47638%0.379SS..EExtended strand (participates in β ladder)trans-108.9164.7-179.7-58.1174.8000110.7F399 I413 A417 G418 C420F399-L415 WeakPolarHBondContact CD2-O 3.29Å; F399-L415 WeakPolarHBondContact CE2-O 3.33Å; I413-L415 HydrophobicContact CG2-CD2 4.28Å; L415-A417 PolarHBondContact O-N 3.01Å; L415-G418 CarbonylContact C-O 3.55Å; L415-G418 VanDerWaalsContact CA-O 3.32Å; L415-G418 WeakPolarHBondContact CA-O 3.1Å; L415-G418 WeakPolarHBondContact CB-O 3.49Å; L415-G418 PolarHBondContact N-O 2.89Å; L415-C420 HydrophobicContact CD1-CB 3.87Å
416E70.2Confident78.3Confident142 Ų14262.8 Ų62.866%0.66436%0.36SS*.THydrogen-bonded Turntrans-64-23.2-176.7-65.3-166.114000114R395R395-E416 IonicContact CZ-OE1 3.23Å; R395-E416 IonicContact NE-OE1 2.86Å; R395-E416 IonicContact NH2-OE1 3.26Å; R395-E416 PolarHBondContact NH2-OE1 2.8Å
417A66.4Low78.6Confident78 Ų7862.5 Ų62.565%0.64536%0.355SS*.THydrogen-bonded Turntrans-136.732.5-178.900000112.8L415L415-A417 PolarHBondContact O-N 3.01Å
418G74.3Confident79Confident23 Ų2365.2 Ų65.224%0.23736%0.36CS..EExtended strand (participates in β ladder)trans159.3-164.4178.400000113.1F399 L415F399-G418 VanDerWaalsContact CD2-O 3.29Å; F399-G418 WeakPolarHBondContact CD2-O 3.31Å; L415-G418 CarbonylContact C-O 3.55Å; L415-G418 VanDerWaalsContact CA-O 3.32Å; L415-G418 WeakPolarHBondContact CA-O 3.1Å; L415-G418 WeakPolarHBondContact CB-O 3.49Å; L415-G418 PolarHBondContact N-O 2.89Å
419A77.1Confident79.5Confident16 Ų1661.9 Ų61.913%0.13235%0.351CS..EExtended strand (participates in β ladder)trans-134.5155.5170.500000110.3F399 H404 I413F399-A419 HydrophobicContact CB-CB 3.9Å; H404-A419 HydrophobicContact CB-CB 4.28Å; H404-A419 PolarHBondContact CE1-O 2.88Å; H404-A419 VanDerWaalsContact CE1-O 3.24Å; H404-A419 PolarHBondContact NE2-O 2.8Å; H404-A419 VanDerWaalsContact NE2-O 3.15Å; I413-A419 WeakPolarHBondContact O-CA 3.43Å
420C81.3Confident79.3Confident59 Ų5962 Ų6240%0.39935%0.353SS..EExtended strand (participates in β ladder)trans-137.3149.9177.4-175.60000109.3I413 L415I413-C420 PolarHBondContact N-O 3.02Å; I413-C420 PolarHBondContact O-N 2.88Å; L415-C420 HydrophobicContact CD1-CB 3.87Å
421C83.1Confident78.8Confident6 Ų662.8 Ų62.84%0.04135%0.354CS..EExtended strand (participates in β ladder)trans-93.1148.1176.6-49.30000110C406 D411 N434 A435C406-C421 WeakPolarHBondContact CA-SG 3.01Å; C406-C421 HydrophobicContact CB-CB 3.93Å; C406-C421 WeakPolarHBondContact CB-SG 3.31Å; C406-C421 WeakPolarHBondContact SG-CB 2.96Å; C406-C421 CovalentContact SG-SG 2.04Å; C406-C421 PolarHBondContact SG-SG 3.04Å; D411-C421 CarbonylContact O-C 3.43Å; D411-C421 WeakPolarHBondContact O-CA 2.97Å; C421-N434 WeakPolarHBondContact CB-O 3.34Å; C421-N434 VanDerWaalsContact O-CB 3.24Å; C421-N434 WeakPolarHBondContact O-CB 3.06Å; C421-A435 HydrophobicContact CB-CB 4.3Å
422S84Confident78.2Confident45 Ų4565.6 Ų65.632%0.31537%0.369SS..EExtended strand (participates in β ladder)trans-136.5141.3171.1-166.80000110.1S410 D411S410-S422 CarbonylContact C-O 3.6Å; S410-S422 VanDerWaalsContact CA-O 3.31Å; S410-S422 WeakPolarHBondContact CA-O 3.38Å; D411-S422 PolarHBondContact N-O 2.81Å; D411-S422 PolarHBondContact O-N 2.87Å
423C84.1Confident77.6Confident22 Ų2266 Ų6615%0.14937%0.367CS..EExtended strand (participates in β ladder)trans-71.5144.5179.1-63.40000111.5F427 P429 C437C423-F427 HydrophobicContact CB-CB 4.35Å; C423-P429 VanDerWaalsContact SG-CA 3.52Å; C423-C437 WeakPolarHBondContact CA-SG 3.42Å; C423-C437 HydrophobicContact CB-CB 3.71Å; C423-C437 WeakPolarHBondContact CB-SG 3.45Å; C423-C437 WeakPolarHBondContact SG-CB 3.41Å; C423-C437 CovalentContact SG-SG 2.03Å; C423-C437 PolarHBondContact SG-SG 2.89Å
424K82.4Confident77.3Confident89 Ų8964.5 Ų64.539%0.38736%0.36SS..PPolyproline II helixtrans-65.8155.1171.9-70.4-177.9178.5-177.50111H409 D411 G426 F427H409-K424 PolarHBondContact O-N 3.21Å; H409-K424 VanDerWaalsContact O-N 3.14Å; D411-K424 WeakPolarHBondContact OD1-CE 3.39Å; D411-K424 IonicContact OD1-NZ 3.18Å; D411-K424 WeakPolarHBondContact OD2-CE 3.47Å; D411-K424 WeakPolarHBondContact OD2-CG 3.36Å; K424-G426 PolarHBondContact O-N 3.1Å; K424-F427 HydrophobicContact CB-CD2 3.95Å; K424-F427 HydrophobicContact CB-CE2 4.48Å; K424-F427 WeakPolarHBondContact O-CB 3.21Å; K424-F427 PolarHBondContact O-N 3.46Å
425D82.5Confident77.1Confident161 Ų16161.7 Ų61.786%0.86135%0.346SS*.THydrogen-bonded Turntrans-55.3137.2172.9-67.1-34.8000110.5F427D425-F427 VanDerWaalsContact C-N 3.31Å; D425-F427 WeakPolarHBondContact O-CD2 3.49Å
426G78.8Confident77.1Confident21 Ų2160.3 Ų60.322%0.21634%0.335CS..THydrogen-bonded Turntrans85.3-2.9-17300000114.5K424 I440K424-G426 PolarHBondContact O-N 3.1Å; G426-I440 WeakPolarHBondContact O-CB 3.39Å; G426-I440 WeakPolarHBondContact O-CG1 3.49Å; G426-I440 PolarHBondContact O-N 2.9Å
427F81.7Confident77.6Confident25 Ų2554 Ų5411%0.1131%0.306CS..EExtended strand (participates in β ladder)trans-119.4146.7176.7-61.9-102.4000111.5H409 C423 K424 D425 C437 E438 D439 P460H409-F427 HydrophobicContact CB-CD1 3.62Å; H409-F427 HydrophobicContact CB-CD2 4.42Å; H409-F427 HydrophobicContact CB-CE1 3.63Å; H409-F427 HydrophobicContact CB-CE2 4.41Å; H409-F427 HydrophobicContact CB-CG 4.06Å; H409-F427 HydrophobicContact CB-CZ 4.05Å; H409-F427 AromaticContact CD2-CE1 3.69Å; H409-F427 AromaticContact CD2-CZ 3.56Å; H409-F427 AromaticContact CG-CD1 3.91Å; H409-F427 AromaticContact CG-CE1 3.38Å; H409-F427 AromaticContact CG-CZ 3.73Å; H409-F427 AromaticContact ND1-CE1 3.7Å; C423-F427 HydrophobicContact CB-CB 4.35Å; K424-F427 HydrophobicContact CB-CD2 3.95Å; K424-F427 HydrophobicContact CB-CE2 4.48Å; K424-F427 WeakPolarHBondContact O-CB 3.21Å; K424-F427 PolarHBondContact O-N 3.46Å; D425-F427 VanDerWaalsContact C-N 3.31Å; D425-F427 WeakPolarHBondContact O-CD2 3.49Å; F427-C437 HydrophobicContact CB-CB 3.88Å; F427-E438 CarbonylContact C-O 3.49Å; F427-E438 WeakPolarHBondContact CA-O 3.16Å; F427-E438 WeakPolarHBondContact CB-O 3.36Å; F427-D439 HydrophobicContact CD1-CB 4.08Å; F427-D439 HydrophobicContact CE1-CB 3.83Å; F427-P460 HydrophobicContact CZ-CB 4.25Å
428R82.3Confident78.2Confident106 Ų10651.8 Ų51.840%0.428%0.283SS..EExtended strand (participates in β ladder)trans-113.9147.2175.269.3178.9-176.1-150.1-6.3112C437 E438 I440 E445R428-C437 CarbonylContact O-C 3.53Å; R428-C437 VanDerWaalsContact O-CA 3.29Å; R428-C437 WeakPolarHBondContact O-CA 3.29Å; R428-E438 HydrophobicContact CG-CG 3.66Å; R428-E438 IonicContact CZ-OE1 2.84Å; R428-E438 PolarHBondContact N-O 2.78Å; R428-E438 IonicContact NE-OE1 2.74Å; R428-E438 PolarHBondContact NE-OE1 2.86Å; R428-E438 IonicContact NH2-OE1 3.49Å; R428-E438 PolarHBondContact NH2-OE1 3.06Å; R428-E438 PolarHBondContact O-N 2.84Å; R428-I440 HydrophobicContact CB-CD1 4.3Å; R428-I440 HydrophobicContact CB-CG1 4.13Å; R428-I440 HydrophobicContact CG-CG1 4.23Å; R428-E445 IonicContact CZ-OE1 3.09Å; R428-E445 IonicContact NH1-OE1 3.41Å; R428-E445 PolarHBondContact NH1-OE1 2.85Å
429P79.1Confident78.6Confident69 Ų6952.6 Ų52.645%0.44828%0.282SS..EExtended strand (participates in β ladder)trans-70.8133.2-178.927.7-33.5000111.6C423 N434C423-P429 VanDerWaalsContact SG-CA 3.52Å; P429-N434 HydrophobicContact CB-CB 4.42Å; P429-N434 VanDerWaalsContact CB-OD1 3.24Å; P429-N434 WeakPolarHBondContact CB-OD1 3.37Å
430L73.3Confident79Confident61 Ų6153.9 Ų53.932%0.31929%0.286SS..SBendtrans-89.9-19173.5-152.185.5000112.1C289 T303 Y436 E438C289-L430 HydrophobicContact CB-CD2 3.78Å; T303-L430 HydrophobicContact CG2-CD1 4.36Å; L430-Y436 PolarHBondContact N-O 3.47Å; L430-E438 HydrophobicContact CD1-CB 4.27Å; L430-E438 VanDerWaalsContact CD1-CD 3.49Å; L430-E438 HydrophobicContact CD1-CG 3.96Å; L430-E438 VanDerWaalsContact CD1-OE2 3.28Å; L430-E438 WeakPolarHBondContact CD1-OE2 3.32Å
431R70.8Confident79Confident30 Ų3054 Ų5411%0.11328%0.282CS..SBendtrans-132.9154.6-178.6-73.5167.453137-4.5110.1Y319 A323 C324 D433 N434Y319-R431 VanDerWaalsContact CD1-CZ 3.44Å; Y319-R431 VanDerWaalsContact CE1-CZ 3.49Å; Y319-R431 VanDerWaalsContact CG-NH2 3.28Å; A323-R431 PolarHBondContact O-NH1 2.89Å; C324-R431 PolarHBondContact O-NH1 3.26Å; R431-D433 WeakPolarHBondContact CB-OD1 3.3Å; R431-D433 IonicContact CZ-OD1 3.46Å; R431-D433 IonicContact CZ-OD2 3.71Å; R431-D433 IonicContact NE-OD1 3.37Å; R431-D433 PolarHBondContact NE-OD1 3.32Å; R431-D433 VanDerWaalsContact NE-OD1 3.09Å; R431-D433 IonicContact NE-OD2 3.94Å; R431-D433 PolarHBondContact NE-OD2 2.88Å; R431-D433 IonicContact NH2-OD1 2.73Å; R431-D433 IonicContact NH2-OD2 3.01Å; R431-D433 PolarHBondContact NH2-OD2 2.9Å; R431-D433 PolarHBondContact O-N 2.74Å; R431-N434 PolarHBondContact O-N 2.88Å; R431-N434 VanDerWaalsContact O-N 3.07Å; R431-N434 PolarHBondContact O-OD1 3.17Å
432D69.1Low79.2Confident142 Ų14254.8 Ų54.876%0.75929%0.286SS*.THydrogen-bonded Turntrans-66.8-19.1-178.9-65.1-33.4000113.6N434D432-N434 VanDerWaalsContact C-N 3.29Å
433D69.8Low79.2Confident54 Ų5454.2 Ų54.229%0.28928%0.281SS..THydrogen-bonded Turntrans-84.6-0.1175.462.6-5.2000113.6R431 A435R431-D433 WeakPolarHBondContact CB-OD1 3.3Å; R431-D433 IonicContact CZ-OD1 3.46Å; R431-D433 IonicContact CZ-OD2 3.71Å; R431-D433 IonicContact NE-OD1 3.37Å; R431-D433 PolarHBondContact NE-OD1 3.32Å; R431-D433 VanDerWaalsContact NE-OD1 3.09Å; R431-D433 IonicContact NE-OD2 3.94Å; R431-D433 PolarHBondContact NE-OD2 2.88Å; R431-D433 IonicContact NH2-OD1 2.73Å; R431-D433 IonicContact NH2-OD2 3.01Å; R431-D433 PolarHBondContact NH2-OD2 2.9Å; R431-D433 PolarHBondContact O-N 2.74Å; D433-A435 PolarHBondContact O-N 3.45Å; D433-A435 PolarHBondContact OD1-N 2.54Å
434N76.3Confident79.1Confident51 Ų5157 Ų5727%0.27331%0.306SS..SBendtrans5219.3-178.3-65.71.7000114.2C421 P429 R431 D432 Y436C421-N434 WeakPolarHBondContact CB-O 3.34Å; C421-N434 VanDerWaalsContact O-CB 3.24Å; C421-N434 WeakPolarHBondContact O-CB 3.06Å; P429-N434 HydrophobicContact CB-CB 4.42Å; P429-N434 VanDerWaalsContact CB-OD1 3.24Å; P429-N434 WeakPolarHBondContact CB-OD1 3.37Å; R431-N434 PolarHBondContact O-N 2.88Å; R431-N434 VanDerWaalsContact O-N 3.07Å; R431-N434 PolarHBondContact O-OD1 3.17Å; D432-N434 VanDerWaalsContact C-N 3.29Å; N434-Y436 VanDerWaalsContact C-N 3.33Å
435A75.2Confident79Confident5 Ų556.3 Ų56.34%0.04130%0.304CS..  trans-79.5-21-178.500000112.3V407 S410 C421 D433V407-A435 PolarHBondContact N-O 2.83Å; V407-A435 VanDerWaalsContact N-O 3.08Å; S410-A435 PolarHBondContact OG-O 3.01Å; C421-A435 HydrophobicContact CB-CB 4.3Å; D433-A435 PolarHBondContact O-N 3.45Å; D433-A435 PolarHBondContact OD1-N 2.54Å
436Y77Confident78.6Confident61 Ų6151.1 Ų51.124%0.23929%0.288CS..SBendtrans-124.2124.2176.7-74.3-95.4000109.8C289 V407 L430 N434C289-Y436 HydrophobicContact CB-CD1 4.49Å; V407-Y436 HydrophobicContact CB-CD1 4.25Å; V407-Y436 HydrophobicContact CB-CE1 3.97Å; V407-Y436 HydrophobicContact CG1-CD1 4.34Å; V407-Y436 HydrophobicContact CG1-CE1 3.84Å; V407-Y436 HydrophobicContact CG2-CD2 4.42Å; V407-Y436 HydrophobicContact CG2-CE1 3.91Å; V407-Y436 HydrophobicContact CG2-CE2 3.81Å; L430-Y436 PolarHBondContact N-O 3.47Å; N434-Y436 VanDerWaalsContact C-N 3.33Å
437C80.9Confident78.6Confident9 Ų956.5 Ų56.56%0.06131%0.306CS..EExtended strand (participates in β ladder)trans-124.2140.1-176.8-510000109.7H409 C423 F427 R428H409-C437 HydrophobicContact CB-CB 4.48Å; C423-C437 WeakPolarHBondContact CA-SG 3.42Å; C423-C437 HydrophobicContact CB-CB 3.71Å; C423-C437 WeakPolarHBondContact CB-SG 3.45Å; C423-C437 WeakPolarHBondContact SG-CB 3.41Å; C423-C437 CovalentContact SG-SG 2.03Å; C423-C437 PolarHBondContact SG-SG 2.89Å; F427-C437 HydrophobicContact CB-CB 3.88Å; R428-C437 CarbonylContact O-C 3.53Å; R428-C437 VanDerWaalsContact O-CA 3.29Å; R428-C437 WeakPolarHBondContact O-CA 3.29Å
438E80.3Confident78.4Confident33 Ų3358.4 Ų58.415%0.15432%0.315CS..EExtended strand (participates in β ladder)trans-109.5149.1172.168.7175.3-174.100111.1F427 R428 L430F427-E438 CarbonylContact C-O 3.49Å; F427-E438 WeakPolarHBondContact CA-O 3.16Å; F427-E438 WeakPolarHBondContact CB-O 3.36Å; R428-E438 HydrophobicContact CG-CG 3.66Å; R428-E438 IonicContact CZ-OE1 2.84Å; R428-E438 PolarHBondContact N-O 2.78Å; R428-E438 IonicContact NE-OE1 2.74Å; R428-E438 PolarHBondContact NE-OE1 2.86Å; R428-E438 IonicContact NH2-OE1 3.49Å; R428-E438 PolarHBondContact NH2-OE1 3.06Å; R428-E438 PolarHBondContact O-N 2.84Å; L430-E438 HydrophobicContact CD1-CB 4.27Å; L430-E438 VanDerWaalsContact CD1-CD 3.49Å; L430-E438 HydrophobicContact CD1-CG 3.96Å; L430-E438 VanDerWaalsContact CD1-OE2 3.28Å; L430-E438 WeakPolarHBondContact CD1-OE2 3.32Å
439D82.1Confident78.4Confident39 Ų3961.6 Ų61.621%0.20933%0.328CS..EExtended strand (participates in β ladder)trans-65.4140.2176.9-178.154.6000110.5F427 N458 G461F427-D439 HydrophobicContact CD1-CB 4.08Å; F427-D439 HydrophobicContact CE1-CB 3.83Å; D439-N458 PolarHBondContact OD2-ND2 3.11Å; D439-G461 PolarHBondContact OD1-N 2.9Å
440I84.7Confident78.5Confident44 Ų4459.2 Ų59.223%0.22631%0.313CS..  trans-87.2113175.6-62171.3000107.7G426 R428 E442G426-I440 WeakPolarHBondContact O-CB 3.39Å; G426-I440 WeakPolarHBondContact O-CG1 3.49Å; G426-I440 PolarHBondContact O-N 2.9Å; R428-I440 HydrophobicContact CB-CD1 4.3Å; R428-I440 HydrophobicContact CB-CG1 4.13Å; R428-I440 HydrophobicContact CG-CG1 4.23Å; I440-E442 HydrophobicContact CG2-CG 4.37Å; I440-E442 PolarHBondContact O-N 2.91Å
441D81.9Confident78.8Confident60 Ų6064.5 Ų64.532%0.32133%0.329SS..  trans-7792.3175.2-171.4-21.3000111C443 A444 E445 N458D441-C443 PolarHBondContact O-N 2.91Å; D441-C443 WeakPolarHBondContact OD1-CA 2.81Å; D441-C443 WeakPolarHBondContact OD1-CB 3.31Å; D441-C443 PolarHBondContact OD1-N 3.46Å; D441-A444 HydrophobicContact CB-CB 4.03Å; D441-A444 VanDerWaalsContact CG-CB 3.48Å; D441-A444 PolarHBondContact O-N 3.49Å; D441-A444 PolarHBondContact OD1-N 3.03Å; D441-A444 WeakPolarHBondContact OD2-CB 3.22Å; D441-E445 PolarHBondContact O-N 2.97Å; D441-N458 WeakPolarHBondContact OD1-CB 3.45Å
442E87.1Confident78.7Confident23 Ų2371.3 Ų71.311%0.10736%0.362CS..THydrogen-bonded Turntrans-67.1-21.3-179.6-55.694.915700112.7I440 G446 K447 H448 N458 F463I440-E442 HydrophobicContact CG2-CG 4.37Å; I440-E442 PolarHBondContact O-N 2.91Å; E442-G446 PolarHBondContact O-N 2.7Å; E442-G446 VanDerWaalsContact O-N 3.16Å; E442-K447 PolarHBondContact O-N 2.78Å; E442-H448 HydrophobicContact CB-CB 4.43Å; E442-H448 PolarHBondContact O-CD2 2.74Å; E442-N458 PolarHBondContact OE2-OD1 3.47Å; E442-F463 HydrophobicContact CB-CB 4.27Å; E442-F463 HydrophobicContact CB-CD1 3.75Å; E442-F463 HydrophobicContact CB-CE1 4.47Å; E442-F463 HydrophobicContact CB-CG 4.16Å; E442-F463 HydrophobicContact CG-CD1 3.85Å
443C84.6Confident78.9Confident33 Ų3367.7 Ų67.722%0.22334%0.343CS..THydrogen-bonded Turntrans-75.5-42.8177-58.20000111.8D441 C456 V457 N458D441-C443 PolarHBondContact O-N 2.91Å; D441-C443 WeakPolarHBondContact OD1-CA 2.81Å; D441-C443 WeakPolarHBondContact OD1-CB 3.31Å; D441-C443 PolarHBondContact OD1-N 3.46Å; C443-C456 WeakPolarHBondContact CA-SG 3.47Å; C443-C456 HydrophobicContact CB-CB 3.84Å; C443-C456 WeakPolarHBondContact CB-SG 3.39Å; C443-C456 WeakPolarHBondContact SG-CB 3.18Å; C443-C456 CovalentContact SG-SG 2.05Å; C443-C456 PolarHBondContact SG-SG 2.91Å; C443-V457 PolarHBondContact SG-N 2.72Å; C443-V457 VanDerWaalsContact SG-N 3.39Å; C443-N458 PolarHBondContact SG-N 2.84Å
444A81.2Confident79.4Confident81 Ų8166 Ų6667%0.66933%0.334SS*.THydrogen-bonded Turntrans-73-36.2177.100000112.5D441 G446D441-A444 HydrophobicContact CB-CB 4.03Å; D441-A444 VanDerWaalsContact CG-CB 3.48Å; D441-A444 PolarHBondContact O-N 3.49Å; D441-A444 PolarHBondContact OD1-N 3.03Å; D441-A444 WeakPolarHBondContact OD2-CB 3.22Å; A444-G446 VanDerWaalsContact C-N 3.29Å
445E81.1Confident79.7Confident75 Ų7568.2 Ų68.235%0.3534%0.344SS..THydrogen-bonded Turntrans-81.8-6.5178.2-65.5-166.8-172.200113.5R428 D441 K447R428-E445 IonicContact CZ-OE1 3.09Å; R428-E445 IonicContact NH1-OE1 3.41Å; R428-E445 PolarHBondContact NH1-OE1 2.85Å; D441-E445 PolarHBondContact O-N 2.97Å; E445-K447 HydrophobicContact CB-CD 4.25Å; E445-K447 HydrophobicContact CB-CG 4.25Å; E445-K447 PolarHBondContact O-N 3.49Å; E445-K447 WeakPolarHBondContact OE2-CE 3.47Å; E445-K447 IonicContact OE2-NZ 2.99Å; E445-K447 PolarHBondContact OE2-NZ 2.72Å
446G74.2Confident80.2Confident51 Ų5169.6 Ų69.653%0.52635%0.353SS..THydrogen-bonded Turntrans67.221.9-178.700000113.7E442 A444 H448E442-G446 PolarHBondContact O-N 2.7Å; E442-G446 VanDerWaalsContact O-N 3.16Å; A444-G446 VanDerWaalsContact C-N 3.29Å; G446-H448 VanDerWaalsContact C-N 3.33Å
447K77.5Confident80.7Confident135 Ų13569.3 Ų69.359%0.58736%0.358SS*.  trans-9833.2-178.4-68178.1-176.5159.20112.2E442 E445E442-K447 PolarHBondContact O-N 2.78Å; E445-K447 HydrophobicContact CB-CD 4.25Å; E445-K447 HydrophobicContact CB-CG 4.25Å; E445-K447 PolarHBondContact O-N 3.49Å; E445-K447 WeakPolarHBondContact OE2-CE 3.47Å; E445-K447 IonicContact OE2-NZ 2.99Å; E445-K447 PolarHBondContact OE2-NZ 2.72Å
448H79Confident80.8Confident65 Ų6571.1 Ų71.130%0.30137%0.366SS..  trans-104.9152.5-179.861.975.8000111.7E442 G446 C450 C456 F463E442-H448 HydrophobicContact CB-CB 4.43Å; E442-H448 PolarHBondContact O-CD2 2.74Å; G446-H448 VanDerWaalsContact C-N 3.33Å; H448-C450 WeakPolarHBondContact ND1-CB 3.38Å; H448-C450 PolarHBondContact ND1-N 3.45Å; H448-C456 VanDerWaalsContact CG-SG 3.6Å; H448-F463 HydrophobicContact CB-CD1 4.44Å; H448-F463 HydrophobicContact CB-CD2 3.68Å; H448-F463 HydrophobicContact CB-CE1 4.39Å; H448-F463 HydrophobicContact CB-CE2 3.62Å; H448-F463 HydrophobicContact CB-CG 4.12Å; H448-F463 HydrophobicContact CB-CZ 4Å
449Y81.3Confident80.9Confident172 Ų17271.6 Ų71.668%0.67537%0.372SS*.  trans-91.56.9178.4-62.3-70.4000113.8R451 F463Y449-R451 PolarHBondContact O-N 2.81Å; Y449-F463 HydrophobicContact CD2-CE1 4.34Å; Y449-F463 AromaticContact CD2-CZ 3.84Å; Y449-F463 HydrophobicContact CD2-CZ 3.84Å; Y449-F463 HydrophobicContact CG-CZ 4.41Å; Y449-F463 VanDerWaalsContact N-CZ 3.26Å
450C81.5Confident80.7Confident19 Ų1974.8 Ų74.813%0.12839%0.394CS..  trans-59.1124.1178.2-54.30000112H448 T454 C465H448-C450 WeakPolarHBondContact ND1-CB 3.38Å; H448-C450 PolarHBondContact ND1-N 3.45Å; C450-T454 WeakPolarHBondContact CB-OG1 3.47Å; C450-C465 WeakPolarHBondContact CA-SG 3.32Å; C450-C465 HydrophobicContact CB-CB 3.77Å; C450-C465 WeakPolarHBondContact CB-SG 3.44Å; C450-C465 WeakPolarHBondContact SG-CB 3.41Å; C450-C465 CovalentContact SG-SG 2.03Å; C450-C465 PolarHBondContact SG-SG 3.46Å
451R78.8Confident80.5Confident173 Ų17373.8 Ų73.865%0.65340%0.395SS*.  trans-90.4-179.3-179.7-59.3-153.7-173.2179.2-1.9112.6Y449 T454 Y477 C478Y449-R451 PolarHBondContact O-N 2.81Å; R451-T454 PolarHBondContact N-OG1 2.9Å; R451-T454 PolarHBondContact O-N 3.08Å; R451-T454 PolarHBondContact O-OG1 2.87Å; R451-Y477 WeakPolarHBondContact CB-O 3.41Å; R451-Y477 PolarHBondContact N-O 3.36Å; R451-C478 WeakPolarHBondContact CD-SG 3.47Å
452E70.2Confident80.6Confident172 Ų17273.7 Ų73.780%0.80440%0.399SS*.THydrogen-bonded Turntrans-51.9146.9174.7-67-180175.200111.9T454E452-T454 VanDerWaalsContact C-N 3.3Å; E452-T454 PolarHBondContact O-N 3.09Å
453N72.6Confident80.6Confident67 Ų6774 Ų7436%0.35840%0.4SS..THydrogen-bonded Turntrans67.517-174.1-50.3-39.3000115.9H468 Y471N453-H468 PolarHBondContact O-N 3.35Å; N453-H468 PolarHBondContact O-ND1 3.46Å; N453-Y471 HydrophobicContact CB-CD1 3.83Å; N453-Y471 HydrophobicContact CB-CE1 3.99Å; N453-Y471 HydrophobicContact CB-CG 4.17Å; N453-Y471 WeakPolarHBondContact ND2-CE1 3.25Å
454T80.6Confident80.5Confident18 Ų1876.7 Ų76.711%0.1141%0.41CS..EExtended strand (participates in β ladder)trans-124152.9172.8700000113C450 R451 E452 V466 H468 C479C450-T454 WeakPolarHBondContact CB-OG1 3.47Å; R451-T454 PolarHBondContact N-OG1 2.9Å; R451-T454 PolarHBondContact O-N 3.08Å; R451-T454 PolarHBondContact O-OG1 2.87Å; E452-T454 VanDerWaalsContact C-N 3.3Å; E452-T454 PolarHBondContact O-N 3.09Å; T454-V466 CarbonylContact C-O 3.58Å; T454-V466 VanDerWaalsContact CA-O 3.24Å; T454-V466 WeakPolarHBondContact CA-O 3.49Å; T454-H468 PolarHBondContact N-ND1 3.26Å; T454-H468 PolarHBondContact O-CE1 3.47Å; T454-C479 HydrophobicContact CG2-CB 4.42Å; T454-C479 WeakPolarHBondContact CG2-SG 3.44Å
455M82.8Confident80.7Confident98 Ų9873 Ų7348%0.48338%0.38SS..EExtended strand (participates in β ladder)trans-111.5131.8172.964.2-178.7-70.500109.8V457 C465 V466M455-V457 HydrophobicContact CE-CG2 4.33Å; M455-C465 CarbonylContact O-C 3.57Å; M455-C465 WeakPolarHBondContact O-CA 3.24Å; M455-V466 HydrophobicContact CG-CB 3.72Å; M455-V466 HydrophobicContact CG-CG1 4.41Å; M455-V466 WeakPolarHBondContact CG-O 3.39Å; M455-V466 PolarHBondContact N-O 2.96Å; M455-V466 PolarHBondContact O-N 2.04Å; M455-V466 HydrophobicContact SD-CB 4.34Å; M455-V466 HydrophobicContact SD-CG1 4.5Å
456C85.8Confident80.8Confident34 Ų3471.9 Ų71.923%0.2338%0.378CS..EExtended strand (participates in β ladder)trans-81.1133.9178.3-171.80000110.4C443 H448C443-C456 WeakPolarHBondContact CA-SG 3.47Å; C443-C456 HydrophobicContact CB-CB 3.84Å; C443-C456 WeakPolarHBondContact CB-SG 3.39Å; C443-C456 WeakPolarHBondContact SG-CB 3.18Å; C443-C456 CovalentContact SG-SG 2.05Å; C443-C456 PolarHBondContact SG-SG 2.91Å; H448-C456 VanDerWaalsContact CG-SG 3.6Å
457V86.6Confident81.1Confident55 Ų5570.7 Ų70.733%0.33336%0.361SS..EExtended strand (participates in β ladder)trans-127.3119.4172.9-178.20000108.3C443 M455 M464 V466C443-V457 PolarHBondContact SG-N 2.72Å; C443-V457 VanDerWaalsContact SG-N 3.39Å; M455-V457 HydrophobicContact CE-CG2 4.33Å; V457-M464 HydrophobicContact CB-CG 4Å; V457-M464 PolarHBondContact N-O 3.24Å; V457-M464 PolarHBondContact O-N 3.43Å; V457-V466 HydrophobicContact CG2-CG2 4.07Å
458N82.8Confident80.9Confident46 Ų4668.6 Ų68.625%0.24635%0.354CS..EExtended strand (participates in β ladder)trans-73.8141.5178.3-174.336.1000110.8D439 D441 E442 C443 S462D439-N458 PolarHBondContact OD2-ND2 3.11Å; D441-N458 WeakPolarHBondContact OD1-CB 3.45Å; E442-N458 PolarHBondContact OE2-OD1 3.47Å; C443-N458 PolarHBondContact SG-N 2.84Å; N458-S462 PolarHBondContact OD1-O 2.75Å
459T82Confident80.4Confident43 Ų4372 Ų7226%0.26438%0.379SS..EExtended strand (participates in β ladder)trans-134.9151.3179.557.90000109.7G461 S462 M464T459-G461 PolarHBondContact O-N 3.39Å; T459-S462 CarbonylContact C-O 3.52Å; T459-S462 VanDerWaalsContact C-O 3.3Å; T459-S462 VanDerWaalsContact CA-O 3.32Å; T459-S462 WeakPolarHBondContact CA-O 3.16Å; T459-S462 PolarHBondContact N-O 3.16Å; T459-S462 CarbonylContact O-C 3.48Å; T459-S462 PolarHBondContact O-N 3.4Å; T459-S462 PolarHBondContact OG1-O 3.07Å; T459-M464 HydrophobicContact CG2-CG 4.16Å; T459-M464 HydrophobicContact CG2-SD 4.27Å
460P78.7Confident79.5Confident106 Ų10665 Ų6569%0.68836%0.359SS*.THydrogen-bonded Turntrans-61110.7-178.322.5-31.9000111.7F427F427-P460 HydrophobicContact CZ-CB 4.25Å
461G80.6Confident78.9Confident23 Ų2366.2 Ų66.224%0.23736%0.361CS..THydrogen-bonded Turntrans91.7-0.1-178.800000115.8D439 T459D439-G461 PolarHBondContact OD1-N 2.9Å; T459-G461 PolarHBondContact O-N 3.39Å
462S84.5Confident78.3Confident59 Ų5961.9 Ų61.941%0.41335%0.35SS..EExtended strand (participates in β ladder)trans-169.5-174.6-179.5-154.20000113.2N458 T459N458-S462 PolarHBondContact OD1-O 2.75Å; T459-S462 CarbonylContact C-O 3.52Å; T459-S462 VanDerWaalsContact C-O 3.3Å; T459-S462 VanDerWaalsContact CA-O 3.32Å; T459-S462 WeakPolarHBondContact CA-O 3.16Å; T459-S462 PolarHBondContact N-O 3.16Å; T459-S462 CarbonylContact O-C 3.48Å; T459-S462 PolarHBondContact O-N 3.4Å; T459-S462 PolarHBondContact OG1-O 3.07Å
463F85.6Confident78.3Confident30 Ų3059 Ų5913%0.13233%0.332CS..EExtended strand (participates in β ladder)trans-129.815817168.4-80.5000111.3E442 H448 Y449 Y477E442-F463 HydrophobicContact CB-CB 4.27Å; E442-F463 HydrophobicContact CB-CD1 3.75Å; E442-F463 HydrophobicContact CB-CE1 4.47Å; E442-F463 HydrophobicContact CB-CG 4.16Å; E442-F463 HydrophobicContact CG-CD1 3.85Å; H448-F463 HydrophobicContact CB-CD1 4.44Å; H448-F463 HydrophobicContact CB-CD2 3.68Å; H448-F463 HydrophobicContact CB-CE1 4.39Å; H448-F463 HydrophobicContact CB-CE2 3.62Å; H448-F463 HydrophobicContact CB-CG 4.12Å; H448-F463 HydrophobicContact CB-CZ 4Å; Y449-F463 HydrophobicContact CD2-CE1 4.34Å; Y449-F463 AromaticContact CD2-CZ 3.84Å; Y449-F463 HydrophobicContact CD2-CZ 3.84Å; Y449-F463 HydrophobicContact CG-CZ 4.41Å; Y449-F463 VanDerWaalsContact N-CZ 3.26Å; F463-Y477 HydrophobicContact CE2-CD1 4.43Å; F463-Y477 HydrophobicContact CE2-CE1 4.07Å; F463-Y477 HydrophobicContact CZ-CE1 4.07Å
464M84.1Confident78.3Confident88 Ų8860.9 Ų60.943%0.43334%0.341SS..EExtended strand (participates in β ladder)trans-126.9143171.167179.6-6300111.8V457 T459 V466V457-M464 HydrophobicContact CB-CG 4Å; V457-M464 PolarHBondContact N-O 3.24Å; V457-M464 PolarHBondContact O-N 3.43Å; T459-M464 HydrophobicContact CG2-CG 4.16Å; T459-M464 HydrophobicContact CG2-SD 4.27Å; M464-V466 HydrophobicContact CE-CG2 4.04Å
465C84.9Confident77.9Confident4 Ų463.5 Ų63.53%0.02735%0.354CS..EExtended strand (participates in β ladder)trans-98.7126.8175.2-460000109.4C450 M455 R473C450-C465 WeakPolarHBondContact CA-SG 3.32Å; C450-C465 HydrophobicContact CB-CB 3.77Å; C450-C465 WeakPolarHBondContact CB-SG 3.44Å; C450-C465 WeakPolarHBondContact SG-CB 3.41Å; C450-C465 CovalentContact SG-SG 2.03Å; C450-C465 PolarHBondContact SG-SG 3.46Å; M455-C465 CarbonylContact O-C 3.57Å; M455-C465 WeakPolarHBondContact O-CA 3.24Å; C465-R473 PolarHBondContact O-NH2 2.97Å
466V82.9Confident77.5Confident52 Ų5263.6 Ų63.632%0.31536%0.357SS..EExtended strand (participates in β ladder)trans-108.3139177.4-177.30000108.9T454 M455 V457 M464T454-V466 CarbonylContact C-O 3.58Å; T454-V466 VanDerWaalsContact CA-O 3.24Å; T454-V466 WeakPolarHBondContact CA-O 3.49Å; M455-V466 HydrophobicContact CG-CB 3.72Å; M455-V466 HydrophobicContact CG-CG1 4.41Å; M455-V466 WeakPolarHBondContact CG-O 3.39Å; M455-V466 PolarHBondContact N-O 2.96Å; M455-V466 PolarHBondContact O-N 2.04Å; M455-V466 HydrophobicContact SD-CB 4.34Å; M455-V466 HydrophobicContact SD-CG1 4.5Å; V457-V466 HydrophobicContact CG2-CG2 4.07Å; M464-V466 HydrophobicContact CE-CG2 4.04Å
467C80.2Confident77Confident25 Ų2566.8 Ų66.817%0.16936%0.364CS..EExtended strand (participates in β ladder)trans-68.9147.3178-57.40000111.3Y471 R473 C479C467-Y471 WeakPolarHBondContact CB-O 3.24Å; C467-R473 VanDerWaalsContact SG-CA 3.57Å; C467-R473 PolarHBondContact SG-N 3.35Å; C467-R473 VanDerWaalsContact SG-N 3.43Å; C467-C479 WeakPolarHBondContact CA-SG 3.47Å; C467-C479 HydrophobicContact CB-CB 3.74Å; C467-C479 WeakPolarHBondContact CB-SG 3.31Å; C467-C479 WeakPolarHBondContact SG-CB 3.09Å; C467-C479 CovalentContact SG-SG 2.02Å; C467-C479 PolarHBondContact SG-SG 3.24Å
468H73.9Confident76.2Confident92 Ų9265 Ų6543%0.42635%0.354SS..PPolyproline II helixtrans-63.1154.5165.4-73.274.2000110.7N453 T454 G470 Y471N453-H468 PolarHBondContact O-N 3.35Å; N453-H468 PolarHBondContact O-ND1 3.46Å; T454-H468 PolarHBondContact N-ND1 3.26Å; T454-H468 PolarHBondContact O-CE1 3.47Å; H468-G470 PolarHBondContact O-N 2.88Å; H468-Y471 HydrophobicContact CB-CD2 4.16Å; H468-Y471 PolarHBondContact O-N 3.48Å; H468-Y471 VanDerWaalsContact O-N 3.12Å
469T68.5Low75.9Confident135 Ų13563.4 Ų63.483%0.82835%0.346SS*.THydrogen-bonded Turntrans-56.9127.5176.451.80000110.6
470G61.5Low75.4Confident25 Ų2564.6 Ų64.626%0.25835%0.354SS..THydrogen-bonded Turntrans94.51.5-17600000115.2H468H468-G470 PolarHBondContact O-N 2.88Å
471Y68.3Low74.8Confident46 Ų4663.4 Ų63.418%0.1834%0.339CS..EExtended strand (participates in β ladder)trans-119.4140.6176.8-67.4-101.5000110.9N453 C467 H468 T480 E481N453-Y471 HydrophobicContact CB-CD1 3.83Å; N453-Y471 HydrophobicContact CB-CE1 3.99Å; N453-Y471 HydrophobicContact CB-CG 4.17Å; N453-Y471 WeakPolarHBondContact ND2-CE1 3.25Å; C467-Y471 WeakPolarHBondContact CB-O 3.24Å; H468-Y471 HydrophobicContact CB-CD2 4.16Å; H468-Y471 PolarHBondContact O-N 3.48Å; H468-Y471 VanDerWaalsContact O-N 3.12Å; Y471-T480 CarbonylContact C-O 3.56Å; Y471-T480 WeakPolarHBondContact CA-O 3.05Å; Y471-E481 HydrophobicContact CD1-CB 4.5Å; Y471-E481 HydrophobicContact CE1-CB 4.24Å
472I68.1Low74.3Confident81 Ų8164.5 Ų64.542%0.41534%0.338SS..EExtended strand (participates in β ladder)trans-103.3141.5178.353.6162.6000111.5I474 C479 T480 H482I472-I474 PolarHBondContact O-N 3.02Å; I472-C479 CarbonylContact O-C 3.47Å; I472-C479 WeakPolarHBondContact O-CA 3.37Å; I472-C479 WeakPolarHBondContact O-CB 3.3Å; I472-T480 WeakPolarHBondContact CG1-O 3.07Å; I472-T480 PolarHBondContact N-O 2.85Å; I472-T480 PolarHBondContact O-N 3.39Å; I472-H482 HydrophobicContact CG1-CB 4.16Å; I472-H482 HydrophobicContact CG2-CB 3.81Å
473R69.9Low73.6Confident113 Ų11364.7 Ų64.743%0.42633%0.334SS..EExtended strand (participates in β ladder)trans-66.6125.4179.2-171.5-174.8-73.1-121-11.4110.2C465 C467 D475 D476C465-R473 PolarHBondContact O-NH2 2.97Å; C467-R473 VanDerWaalsContact SG-CA 3.57Å; C467-R473 PolarHBondContact SG-N 3.35Å; C467-R473 VanDerWaalsContact SG-N 3.43Å; R473-D475 WeakPolarHBondContact CG-O 3.49Å; R473-D476 IonicContact NH1-OD1 3.94Å; R473-D476 PolarHBondContact NH1-OD1 2.79Å
474I72.5Confident73.2Confident106 Ų10664.1 Ų64.154%0.54433%0.332SS..EExtended strand (participates in β ladder)trans-96.7-45.2171.7-50.8164.7000109.4I472 C478 T480I472-I474 PolarHBondContact O-N 3.02Å; I474-C478 PolarHBondContact N-O 3.07Å; I474-T480 HydrophobicContact CD1-CG2 3.19Å; I474-T480 WeakPolarHBondContact CD1-OG1 3.38Å; I474-T480 HydrophobicContact CG1-CG2 4.08Å; I474-T480 WeakPolarHBondContact CG1-OG1 3.35Å
475D72.1Confident73Confident73 Ų7361.6 Ų61.639%0.3932%0.323SS..EExtended strand (participates in β ladder)trans-141.7179.2175.766.425.4000109.3R473 Y477 C478R473-D475 WeakPolarHBondContact CG-O 3.49Å; D475-Y477 PolarHBondContact O-N 3.36Å; D475-Y477 WeakPolarHBondContact OD1-CA 3.39Å; D475-Y477 PolarHBondContact OD1-N 2.97Å; D475-C478 PolarHBondContact N-O 2.71Å; D475-C478 WeakPolarHBondContact OD1-CA 3.4Å; D475-C478 WeakPolarHBondContact OD1-CB 3.3Å; D475-C478 PolarHBondContact OD1-N 2.75Å; D475-C478 PolarHBondContact OD1-SG 3.25Å; D475-C478 PolarHBondContact OD2-SG 2.85Å
476D73.1Confident72.7Confident100 Ų10067.2 Ų67.254%0.53536%0.357SS..THydrogen-bonded Turntrans-65.3-6.5-176.1-67.2-39.9000114.9R473R473-D476 IonicContact NH1-OD1 3.94Å; R473-D476 PolarHBondContact NH1-OD1 2.79Å
477Y75.4Confident72.1Confident100 Ų10067.3 Ų67.339%0.39236%0.359SS..THydrogen-bonded Turntrans-128.9-7.7-173.6-53.3-71.1000114.5R451 F463 D475R451-Y477 WeakPolarHBondContact CB-O 3.41Å; R451-Y477 PolarHBondContact N-O 3.36Å; F463-Y477 HydrophobicContact CE2-CD1 4.43Å; F463-Y477 HydrophobicContact CE2-CE1 4.07Å; F463-Y477 HydrophobicContact CZ-CE1 4.07Å; D475-Y477 PolarHBondContact O-N 3.36Å; D475-Y477 WeakPolarHBondContact OD1-CA 3.39Å; D475-Y477 PolarHBondContact OD1-N 2.97Å
478C70.8Confident71.7Confident18 Ų1868.5 Ų68.512%0.12238%0.376CS..EExtended strand (participates in β ladder)trans-138.3143.8-170.4-52.50000112.8R451 I474 D475R451-C478 WeakPolarHBondContact CD-SG 3.47Å; I474-C478 PolarHBondContact N-O 3.07Å; D475-C478 PolarHBondContact N-O 2.71Å; D475-C478 WeakPolarHBondContact OD1-CA 3.4Å; D475-C478 WeakPolarHBondContact OD1-CB 3.3Å; D475-C478 PolarHBondContact OD1-N 2.75Å; D475-C478 PolarHBondContact OD1-SG 3.25Å; D475-C478 PolarHBondContact OD2-SG 2.85Å
479C76.3Confident71.6Confident12 Ų1270.1 Ų70.18%0.08139%0.387CS..EExtended strand (participates in β ladder)trans-133.3143.7176-47.70000111.9T454 C467 I472T454-C479 HydrophobicContact CG2-CB 4.42Å; T454-C479 WeakPolarHBondContact CG2-SG 3.44Å; C467-C479 WeakPolarHBondContact CA-SG 3.47Å; C467-C479 HydrophobicContact CB-CB 3.74Å; C467-C479 WeakPolarHBondContact CB-SG 3.31Å; C467-C479 WeakPolarHBondContact SG-CB 3.09Å; C467-C479 CovalentContact SG-SG 2.02Å; C467-C479 PolarHBondContact SG-SG 3.24Å; I472-C479 CarbonylContact O-C 3.47Å; I472-C479 WeakPolarHBondContact O-CA 3.37Å; I472-C479 WeakPolarHBondContact O-CB 3.3Å
480T71.3Confident72.1Confident68 Ų6866.8 Ų66.842%0.41736%0.362SS..EExtended strand (participates in β ladder)trans-111.5156.3173.836.40000111.5Y471 I472 I474Y471-T480 CarbonylContact C-O 3.56Å; Y471-T480 WeakPolarHBondContact CA-O 3.05Å; I472-T480 WeakPolarHBondContact CG1-O 3.07Å; I472-T480 PolarHBondContact N-O 2.85Å; I472-T480 PolarHBondContact O-N 3.39Å; I474-T480 HydrophobicContact CD1-CG2 3.19Å; I474-T480 WeakPolarHBondContact CD1-OG1 3.38Å; I474-T480 HydrophobicContact CG1-CG2 4.08Å; I474-T480 WeakPolarHBondContact CG1-OG1 3.35Å
481E65.3Low73.1Confident81 Ų8169.8 Ų69.838%0.37938%0.379SS..EExtended strand (participates in β ladder)trans-59.3136.2172.2-156.5-178.8163.300110.6Y471 V502Y471-E481 HydrophobicContact CD1-CB 4.5Å; Y471-E481 HydrophobicContact CE1-CB 4.24Å; E481-V502 VanDerWaalsContact OE1-CA 3.27Å; E481-V502 WeakPolarHBondContact OE1-CA 3.39Å
482H70.8Confident73.9Confident46 Ų4668.3 Ų68.321%0.21338%0.375CS..  trans-102.8126.4176.8-173.868.3000108.9I472 E484 S487I472-H482 HydrophobicContact CG1-CB 4.16Å; I472-H482 HydrophobicContact CG2-CB 3.81Å; H482-E484 PolarHBondContact O-N 2.93Å; H482-E484 VanDerWaalsContact O-OE2 3.06Å; H482-S487 WeakPolarHBondContact NE2-CB 3.12Å; H482-S487 PolarHBondContact NE2-OG 3.25Å
483D70.9Confident74.7Confident63 Ų6365.5 Ų65.534%0.33736%0.364SS..  trans-82.594.2173-170.9-29.4000109.2C485 V486 S487D483-C485 PolarHBondContact O-N 2.98Å; D483-C485 WeakPolarHBondContact OD1-CA 3.36Å; D483-C485 WeakPolarHBondContact OD1-CB 3.25Å; D483-C485 PolarHBondContact OD1-N 2.81Å; D483-V486 HydrophobicContact CB-CB 4.43Å; D483-V486 HydrophobicContact CB-CG2 4.45Å; D483-V486 PolarHBondContact O-N 3.23Å; D483-V486 PolarHBondContact OD1-N 2.86Å; D483-V486 VanDerWaalsContact OD1-N 3.14Å; D483-V486 WeakPolarHBondContact OD2-CG2 3.47Å; D483-S487 PolarHBondContact O-N 3.43Å; D483-S487 PolarHBondContact O-OG 3.19Å
484E76.3Confident75.3Confident19 Ų1968.6 Ų68.69%0.08938%0.383CS..Hα-helixtrans-63.8-22.2179.7-63.980.2-171.500112.8H482 S487 G488 L489 H490 N500 G504 H505H482-E484 PolarHBondContact O-N 2.93Å; H482-E484 VanDerWaalsContact O-OE2 3.06Å; E484-S487 WeakPolarHBondContact CA-OG 3.25Å; E484-S487 PolarHBondContact O-OG 3.46Å; E484-G488 PolarHBondContact O-N 3.07Å; E484-L489 PolarHBondContact O-N 3.04Å; E484-H490 HydrophobicContact CB-CB 4.45Å; E484-H490 PolarHBondContact O-N 2.91Å; E484-N500 PolarHBondContact OE2-OD1 3.44Å; E484-G504 VanDerWaalsContact OE2-C 3.31Å; E484-H505 HydrophobicContact CB-CB 4.29Å
485C79.4Confident75.9Confident34 Ų3466.1 Ų66.123%0.2337%0.371CS..Hα-helixtrans-76.6-35.7-178.6-60.90000112D483 C498 F499 N500D483-C485 PolarHBondContact O-N 2.98Å; D483-C485 WeakPolarHBondContact OD1-CA 3.36Å; D483-C485 WeakPolarHBondContact OD1-CB 3.25Å; D483-C485 PolarHBondContact OD1-N 2.81Å; C485-C498 VanDerWaalsContact CA-SG 3.5Å; C485-C498 HydrophobicContact CB-CB 3.81Å; C485-C498 WeakPolarHBondContact CB-SG 3.1Å; C485-C498 WeakPolarHBondContact SG-CB 3.44Å; C485-C498 CovalentContact SG-SG 2.05Å; C485-C498 PolarHBondContact SG-SG 2.04Å; C485-F499 VanDerWaalsContact SG-C 3.51Å; C485-F499 PolarHBondContact SG-N 2.8Å; C485-N500 PolarHBondContact SG-N 2.92Å; C485-N500 VanDerWaalsContact SG-N 3.45Å
486V78.3Confident76.6Confident123 Ų12363.2 Ų63.275%0.74536%0.357SS*.Hα-helixtrans-81-34.4177.9177.20000111.7D483 G488D483-V486 HydrophobicContact CB-CB 4.43Å; D483-V486 HydrophobicContact CB-CG2 4.45Å; D483-V486 PolarHBondContact O-N 3.23Å; D483-V486 PolarHBondContact OD1-N 2.86Å; D483-V486 VanDerWaalsContact OD1-N 3.14Å; D483-V486 WeakPolarHBondContact OD2-CG2 3.47Å; V486-G488 VanDerWaalsContact C-N 3.3Å; V486-G488 PolarHBondContact O-N 2.81Å
487S71.8Confident77.3Confident53 Ų5362.2 Ų62.237%0.37135%0.352SS..Hα-helixtrans-78.4-12.8179.4670000113.8H482 D483 E484 L489H482-S487 WeakPolarHBondContact NE2-CB 3.12Å; H482-S487 PolarHBondContact NE2-OG 3.25Å; D483-S487 PolarHBondContact O-N 3.43Å; D483-S487 PolarHBondContact O-OG 3.19Å; E484-S487 WeakPolarHBondContact CA-OG 3.25Å; E484-S487 PolarHBondContact O-OG 3.46Å; S487-L489 PolarHBondContact O-N 3.39Å
488G71.6Confident77.8Confident50 Ų5059 Ų5952%0.51534%0.343SS..THydrogen-bonded Turntrans7411.3-178.500000113.9E484 V486 H490E484-G488 PolarHBondContact O-N 3.07Å; V486-G488 VanDerWaalsContact C-N 3.3Å; V486-G488 PolarHBondContact O-N 2.81Å; G488-H490 PolarHBondContact O-N 3.44Å
489L71.9Confident78.4Confident126 Ų12663.4 Ų63.466%0.6636%0.36SS*.  trans-88.326177.3-81.6148.5000112.4E484 S487E484-L489 PolarHBondContact O-N 3.04Å; S487-L489 PolarHBondContact O-N 3.39Å
490H79.3Confident78.3Confident66 Ų6665.7 Ų65.731%0.30637%0.372SS..  trans-89.5149.3179.16661.9000112.3E484 G488 C492E484-H490 HydrophobicContact CB-CB 4.45Å; E484-H490 PolarHBondContact O-N 2.91Å; G488-H490 PolarHBondContact O-N 3.44Å; H490-C492 VanDerWaalsContact C-N 3.28Å; H490-C492 WeakPolarHBondContact ND1-CB 3.19Å; H490-C492 PolarHBondContact ND1-N 3.45Å; H490-C492 PolarHBondContact O-N 3.24Å
491S81.8Confident78.4Confident87 Ų8765.4 Ų65.461%0.60837%0.37SS*.  trans-88.310177.5-58.30000113.4H505 T518S491-H505 PolarHBondContact N-NE2 2.84Å; S491-T518 WeakPolarHBondContact O-CG2 3.22Å
492C86.1Confident78.4Confident15 Ų1567.3 Ų67.310%0.10139%0.387CS..  trans-67.6145.8-179.5-520000112.6H490 A496 C507H490-C492 VanDerWaalsContact C-N 3.28Å; H490-C492 WeakPolarHBondContact ND1-CB 3.19Å; H490-C492 PolarHBondContact ND1-N 3.45Å; H490-C492 PolarHBondContact O-N 3.24Å; C492-A496 HydrophobicContact CB-CB 4.09Å; C492-C507 WeakPolarHBondContact CA-SG 3.48Å; C492-C507 HydrophobicContact CB-CB 3.7Å; C492-C507 WeakPolarHBondContact CB-SG 3.26Å; C492-C507 WeakPolarHBondContact SG-CB 3.35Å; C492-C507 CovalentContact SG-SG 2.03Å; C492-C507 PolarHBondContact SG-SG 3.05Å
493A84.6Confident78.2Confident22 Ų2266.8 Ų66.818%0.18239%0.394CS..  trans-63.1155.5173.100000111.7N495 A496 G517 T518 C520A493-N495 PolarHBondContact O-N 3.44Å; A493-N495 VanDerWaalsContact O-N 3.08Å; A493-A496 HydrophobicContact CB-CB 4.22Å; A493-A496 WeakPolarHBondContact O-CB 3.34Å; A493-A496 PolarHBondContact O-N 3.32Å; A493-G517 PolarHBondContact N-O 3.13Å; A493-T518 WeakPolarHBondContact CB-O 3.46Å; A493-C520 HydrophobicContact CB-CB 4.13Å
494Q82.6Confident78.3Confident179 Ų17964.4 Ų64.484%0.83638%0.384SS*.THydrogen-bonded Turntrans-55.4-30.6175.8-166.8174.81900113.3K510Q494-K510 PolarHBondContact O-NZ 3.19Å
495N84.4Confident78.6Confident54 Ų5466 Ų6629%0.28939%0.392SS..THydrogen-bonded Turntrans-97.924.5177-63.4-36.5000113.4A493 K510 Y513 C520A493-N495 PolarHBondContact O-N 3.44Å; A493-N495 VanDerWaalsContact O-N 3.08Å; N495-K510 WeakPolarHBondContact O-CB 3.4Å; N495-K510 WeakPolarHBondContact O-CG 3.31Å; N495-K510 PolarHBondContact O-N 3.36Å; N495-Y513 HydrophobicContact CB-CD1 3.76Å; N495-Y513 HydrophobicContact CB-CD2 4.23Å; N495-Y513 HydrophobicContact CB-CE1 3.82Å; N495-Y513 HydrophobicContact CB-CE2 4.26Å; N495-Y513 HydrophobicContact CB-CG 4Å; N495-Y513 WeakPolarHBondContact ND2-CE1 3.41Å; N495-C520 HydrophobicContact CB-CB 4.3Å
496A87.4Confident78.7Confident12 Ų1267.3 Ų67.310%0.09940%0.401CS..EExtended strand (participates in β ladder)trans-115.4162.2173.600000112.1C492 A493 S508 K510 G517C492-A496 HydrophobicContact CB-CB 4.09Å; A493-A496 HydrophobicContact CB-CB 4.22Å; A493-A496 WeakPolarHBondContact O-CB 3.34Å; A493-A496 PolarHBondContact O-N 3.32Å; A496-S508 CarbonylContact C-O 3.52Å; A496-S508 VanDerWaalsContact CA-O 3.25Å; A496-S508 WeakPolarHBondContact CA-O 3.25Å; A496-S508 WeakPolarHBondContact CB-O 3.23Å; A496-K510 WeakPolarHBondContact O-CE 3.29Å; A496-G517 WeakPolarHBondContact CB-O 3.26Å
497L86.5Confident79.2Confident79 Ų7962.5 Ų62.541%0.41437%0.373SS..EExtended strand (participates in β ladder)trans-102.6134.6170-60.8174000107.9F499 C507 S508 K510L497-F499 HydrophobicContact CB-CE2 4.03Å; L497-F499 HydrophobicContact CB-CZ 4.12Å; L497-F499 HydrophobicContact CD1-CZ 4.46Å; L497-C507 CarbonylContact O-C 3.54Å; L497-C507 WeakPolarHBondContact O-CA 3.29Å; L497-S508 PolarHBondContact N-O 2.68Å; L497-S508 PolarHBondContact O-N 2.9Å; L497-K510 HydrophobicContact CD2-CG 4.03Å; L497-K510 HydrophobicContact CG-CG 3.94Å
498C86.9Confident79.8Confident31 Ų3163 Ų6321%0.20938%0.376CS..EExtended strand (participates in β ladder)trans-98.1133.5176.9-173.30000109.6C485C485-C498 VanDerWaalsContact CA-SG 3.5Å; C485-C498 HydrophobicContact CB-CB 3.81Å; C485-C498 WeakPolarHBondContact CB-SG 3.1Å; C485-C498 WeakPolarHBondContact SG-CB 3.44Å; C485-C498 CovalentContact SG-SG 2.05Å; C485-C498 PolarHBondContact SG-SG 2.04Å
499F82.6Confident80.6Confident111 Ų11161.5 Ų61.549%0.48736%0.357SS..EExtended strand (participates in β ladder)trans-122.5122.9173.2-58.6-78.9000109C485 L497 H505 S506C485-F499 VanDerWaalsContact SG-C 3.51Å; C485-F499 PolarHBondContact SG-N 2.8Å; L497-F499 HydrophobicContact CB-CE2 4.03Å; L497-F499 HydrophobicContact CB-CZ 4.12Å; L497-F499 HydrophobicContact CD1-CZ 4.46Å; F499-H505 WeakPolarHBondContact O-CA 3.46Å; F499-S506 PolarHBondContact N-O 2.9Å; F499-S506 PolarHBondContact O-N 3.44Å
500N75.6Confident81.2Confident60 Ų6059.1 Ų59.132%0.32134%0.342SS..EExtended strand (participates in β ladder)trans-71.3140.3178-167.846.2000110.8E484 C485 G504E484-N500 PolarHBondContact OE2-OD1 3.44Å; C485-N500 PolarHBondContact SG-N 2.92Å; C485-N500 VanDerWaalsContact SG-N 3.45Å; N500-G504 PolarHBondContact OD1-O 3.44Å
501T73.3Confident81.2Confident63 Ų6361.7 Ų61.739%0.38737%0.365SS..EExtended strand (participates in β ladder)trans-137.7154.2-178.354.60000111.2G503 G504 H505T501-G503 PolarHBondContact O-N 2.82Å; T501-G504 CarbonylContact C-O 3.51Å; T501-G504 WeakPolarHBondContact CA-O 3.46Å; T501-G504 PolarHBondContact N-O 3.21Å; T501-G504 CarbonylContact O-C 3.41Å; T501-G504 PolarHBondContact O-N 2.94Å; T501-G504 PolarHBondContact OG1-O 3.42Å; T501-H505 PolarHBondContact OG1-N 3.33Å
502V64.7Low80.7Confident121 Ų12159 Ų5973%0.73335%0.351SS*.THydrogen-bonded Turntrans-63.4107.3-179.8-176.20000110.5E481E481-V502 VanDerWaalsContact OE1-CA 3.27Å; E481-V502 WeakPolarHBondContact OE1-CA 3.39Å
503G65.8Low80.4Confident34 Ų3460.5 Ų60.535%0.35136%0.355SS..THydrogen-bonded Turntrans93.614.8-176.100000115.9T501T501-G503 PolarHBondContact O-N 2.82Å
504G74.6Confident80.2Confident13 Ų1363.3 Ų63.313%0.13437%0.37CS..EExtended strand (participates in β ladder)trans157.4-147.9170.900000113.8E484 N500 T501E484-G504 VanDerWaalsContact OE2-C 3.31Å; N500-G504 PolarHBondContact OD1-O 3.44Å; T501-G504 CarbonylContact C-O 3.51Å; T501-G504 WeakPolarHBondContact CA-O 3.46Å; T501-G504 PolarHBondContact N-O 3.21Å; T501-G504 CarbonylContact O-C 3.41Å; T501-G504 PolarHBondContact O-N 2.94Å; T501-G504 PolarHBondContact OG1-O 3.42Å
505H80.7Confident80.2Confident53 Ų5357.4 Ų57.425%0.24536%0.356CS..EExtended strand (participates in β ladder)trans-135.4153.5-178.762.7-81.7000113E484 S491 F499 T501E484-H505 HydrophobicContact CB-CB 4.29Å; S491-H505 PolarHBondContact N-NE2 2.84Å; F499-H505 WeakPolarHBondContact O-CA 3.46Å; T501-H505 PolarHBondContact OG1-N 3.33Å
506S82.3Confident80.1Confident61 Ų6159.7 Ų59.743%0.42737%0.369SS..EExtended strand (participates in β ladder)trans-115136.3174.2-1710000110.6F499F499-S506 PolarHBondContact N-O 2.9Å; F499-S506 PolarHBondContact O-N 3.44Å
507C89Confident79.8Confident22 Ų2259.1 Ų59.115%0.14936%0.364CS..EExtended strand (participates in β ladder)trans-110.7135.5-179.8-52.40000110.5C492 L497 G517C492-C507 WeakPolarHBondContact CA-SG 3.48Å; C492-C507 HydrophobicContact CB-CB 3.7Å; C492-C507 WeakPolarHBondContact CB-SG 3.26Å; C492-C507 WeakPolarHBondContact SG-CB 3.35Å; C492-C507 CovalentContact SG-SG 2.03Å; C492-C507 PolarHBondContact SG-SG 3.05Å; L497-C507 CarbonylContact O-C 3.54Å; L497-C507 WeakPolarHBondContact O-CA 3.29Å; C507-G517 VanDerWaalsContact CB-C 3.49Å; C507-G517 WeakPolarHBondContact CB-O 3.46Å
508S85.3Confident79.6Confident63 Ų6358.5 Ų58.544%0.44136%0.364SS..EExtended strand (participates in β ladder)trans-129135.9171.7-167.40000110.7A496 L497A496-S508 CarbonylContact C-O 3.52Å; A496-S508 VanDerWaalsContact CA-O 3.25Å; A496-S508 WeakPolarHBondContact CA-O 3.25Å; A496-S508 WeakPolarHBondContact CB-O 3.23Å; L497-S508 PolarHBondContact N-O 2.68Å; L497-S508 PolarHBondContact O-N 2.9Å
509C87.8Confident79.4Confident19 Ų1962.1 Ų62.113%0.12838%0.379CS..EExtended strand (participates in β ladder)trans-64.1143.3179.9-62.90000111.5Y513 C520C509-Y513 WeakPolarHBondContact CB-O 3.12Å; C509-C520 WeakPolarHBondContact CA-SG 3.48Å; C509-C520 HydrophobicContact CB-CB 3.92Å; C509-C520 WeakPolarHBondContact CB-SG 3.46Å; C509-C520 VanDerWaalsContact SG-CA 3.56Å; C509-C520 WeakPolarHBondContact SG-CB 3.36Å; C509-C520 CovalentContact SG-SG 2.04Å; C509-C520 PolarHBondContact SG-SG 3.24Å
510K83.8Confident79.4Confident77 Ų7757.8 Ų57.834%0.33536%0.363SS..PPolyproline II helixtrans-62.1155174.6-71.2172.1-177.4162.60110.3Q494 N495 A496 L497 G512 Y513Q494-K510 PolarHBondContact O-NZ 3.19Å; N495-K510 WeakPolarHBondContact O-CB 3.4Å; N495-K510 WeakPolarHBondContact O-CG 3.31Å; N495-K510 PolarHBondContact O-N 3.36Å; A496-K510 WeakPolarHBondContact O-CE 3.29Å; L497-K510 HydrophobicContact CD2-CG 4.03Å; L497-K510 HydrophobicContact CG-CG 3.94Å; K510-G512 PolarHBondContact O-N 2.65Å; K510-Y513 HydrophobicContact CB-CD2 4.48Å; K510-Y513 WeakPolarHBondContact O-CB 3.48Å; K510-Y513 PolarHBondContact O-N 2.94Å
511P79.8Confident79.5Confident120 Ų12062 Ų6278%0.77938%0.378SS*.THydrogen-bonded Turntrans-51.4133.5175.4-26.534.6000112.2
512G72Confident79.4Confident31 Ų3160.1 Ų60.132%0.3237%0.369SS..THydrogen-bonded Turntrans85.92.4-173.900000114.8K510 M523 P537K510-G512 PolarHBondContact O-N 2.65Å; G512-M523 WeakPolarHBondContact O-CB 3.36Å; G512-M523 PolarHBondContact O-N 3.25Å; G512-P537 WeakPolarHBondContact O-CG 3.19Å
513Y79.6Confident79.5Confident46 Ų4658.9 Ų58.918%0.1836%0.356CS..EExtended strand (participates in β ladder)trans-121.9145.4171.1-68.2-102000110.4N495 C509 K510 C520 K521 A522 P537N495-Y513 HydrophobicContact CB-CD1 3.76Å; N495-Y513 HydrophobicContact CB-CD2 4.23Å; N495-Y513 HydrophobicContact CB-CE1 3.82Å; N495-Y513 HydrophobicContact CB-CE2 4.26Å; N495-Y513 HydrophobicContact CB-CG 4Å; N495-Y513 WeakPolarHBondContact ND2-CE1 3.41Å; C509-Y513 WeakPolarHBondContact CB-O 3.12Å; K510-Y513 HydrophobicContact CB-CD2 4.48Å; K510-Y513 WeakPolarHBondContact O-CB 3.48Å; K510-Y513 PolarHBondContact O-N 2.94Å; Y513-C520 HydrophobicContact CD1-CB 4.46Å; Y513-K521 CarbonylContact C-O 3.59Å; Y513-K521 VanDerWaalsContact CA-O 3.23Å; Y513-K521 WeakPolarHBondContact CA-O 3.31Å; Y513-A522 HydrophobicContact CD1-CB 4.06Å; Y513-A522 HydrophobicContact CE1-CB 3.73Å; Y513-P537 HydrophobicContact CD2-CG 4.04Å; Y513-P537 HydrophobicContact CE2-CG 3.57Å
514T79.3Confident79.7Confident81 Ų8158.1 Ų58.150%0.49735%0.346SS..EExtended strand (participates in β ladder)trans-122.9146.7178.8-172.70000110.9K521 M523T514-K521 PolarHBondContact N-O 3.08Å; T514-K521 PolarHBondContact O-N 3.49Å; T514-M523 HydrophobicContact CG2-CB 4.49Å
515G83.1Confident79Confident54 Ų5463.9 Ų63.956%0.55737%0.373SS*.EExtended strand (participates in β ladder)trans147.8-164.4-178.700000112.9I519G515-I519 WeakPolarHBondContact CA-O 3.4Å
516N81.9Confident78.1Confident103 Ų10362.4 Ų62.455%0.55137%0.372SS*.SBendtrans-98.214.5-17565-11.4000113.4T518 I519N516-T518 PolarHBondContact ND2-OG1 3.04Å; N516-T518 PolarHBondContact O-N 3.12Å; N516-T518 VanDerWaalsContact O-N 3.11Å; N516-T518 PolarHBondContact OD1-N 3.27Å; N516-T518 PolarHBondContact OD1-OG1 3.2Å; N516-T518 VanDerWaalsContact OD1-OG1 3.1Å; N516-I519 PolarHBondContact N-O 2.64Å; N516-I519 PolarHBondContact OD1-N 3.36Å; N516-I519 PolarHBondContact OD1-O 3.4Å
517G82.1Confident77.5Confident0 Ų066.7 Ų66.70%039%0.39CS..SBendtrans81.1-30.1-179.100000115A493 A496 C507A493-G517 PolarHBondContact N-O 3.13Å; A496-G517 WeakPolarHBondContact CB-O 3.26Å; C507-G517 VanDerWaalsContact CB-C 3.49Å; C507-G517 WeakPolarHBondContact CB-O 3.46Å
518T82.4Confident76.7Confident66 Ų6666.7 Ų66.741%0.40539%0.389SS..SBendtrans-87.3-26.7170.755.70000112.3S491 A493 N516S491-T518 WeakPolarHBondContact O-CG2 3.22Å; A493-T518 WeakPolarHBondContact CB-O 3.46Å; N516-T518 PolarHBondContact ND2-OG1 3.04Å; N516-T518 PolarHBondContact O-N 3.12Å; N516-T518 VanDerWaalsContact O-N 3.11Å; N516-T518 PolarHBondContact OD1-N 3.27Å; N516-T518 PolarHBondContact OD1-OG1 3.2Å; N516-T518 VanDerWaalsContact OD1-OG1 3.1Å
519I80.9Confident76.4Confident106 Ų10666.9 Ų66.954%0.54438%0.383SS..SBendtrans-128113.4170.1-56.7172.6000107G515 N516G515-I519 WeakPolarHBondContact CA-O 3.4Å; N516-I519 PolarHBondContact N-O 2.64Å; N516-I519 PolarHBondContact OD1-N 3.36Å; N516-I519 PolarHBondContact OD1-O 3.4Å
520C82.9Confident76Confident20 Ų2069.4 Ų69.414%0.13540%0.396CS..EExtended strand (participates in β ladder)trans-118.4119.9178.1-66.20000109.9A493 N495 C509 Y513A493-C520 HydrophobicContact CB-CB 4.13Å; N495-C520 HydrophobicContact CB-CB 4.3Å; C509-C520 WeakPolarHBondContact CA-SG 3.48Å; C509-C520 HydrophobicContact CB-CB 3.92Å; C509-C520 WeakPolarHBondContact CB-SG 3.46Å; C509-C520 VanDerWaalsContact SG-CA 3.56Å; C509-C520 WeakPolarHBondContact SG-CB 3.36Å; C509-C520 CovalentContact SG-SG 2.04Å; C509-C520 PolarHBondContact SG-SG 3.24Å; Y513-C520 HydrophobicContact CD1-CB 4.46Å
521K77.4Confident75.6Confident150 Ų15067.9 Ų67.965%0.65240%0.401SS*.EExtended strand (participates in β ladder)trans-103.5141.5175.3-66-176.6179.4-1790109.7Y513 T514Y513-K521 CarbonylContact C-O 3.59Å; Y513-K521 VanDerWaalsContact CA-O 3.23Å; Y513-K521 WeakPolarHBondContact CA-O 3.31Å; T514-K521 PolarHBondContact N-O 3.08Å; T514-K521 PolarHBondContact O-N 3.49Å
522A71.9Confident75.6Confident22 Ų2262.9 Ų62.918%0.18237%0.372CS..EExtended strand (participates in β ladder)trans-63.2139177.400000110.4Y513Y513-A522 HydrophobicContact CD1-CB 4.06Å; Y513-A522 HydrophobicContact CE1-CB 3.73Å
523M67.8Low76.1Confident95 Ų9565.8 Ų65.847%0.46838%0.384SS..  trans-105.1117.7174.6-165.5163.6101.100108.3G512 T514G512-M523 WeakPolarHBondContact O-CB 3.36Å; G512-M523 PolarHBondContact O-N 3.25Å; T514-M523 HydrophobicContact CG2-CB 4.49Å
524C69.8Low76.2Confident19 Ų1965.5 Ų65.513%0.12839%0.388CS..  trans-98.6129.2171.5-72.20000107.3G526 C534C524-G526 PolarHBondContact O-N 3.19Å; C524-C534 HydrophobicContact CB-CB 4.18Å; C524-C534 WeakPolarHBondContact CB-SG 3.41Å; C524-C534 WeakPolarHBondContact SG-CB 3.42Å; C524-C534 CovalentContact SG-SG 2.06Å; C524-C534 PolarHBondContact SG-SG 2.89Å
525D59.5Low76.1Confident133 Ų13365.7 Ų65.771%0.71139%0.385SS*.SBendtrans-70.642.9-176.2-84.5-30.4000113.8N538D525-N538 PolarHBondContact N-OD1 2.86Å
526G61.7Low75.6Confident22 Ų2264.8 Ų64.823%0.22737%0.37CS..SBendtrans148.9101.7-170.700000106.4C524 C528 R550C524-G526 PolarHBondContact O-N 3.19Å; G526-C528 PolarHBondContact O-N 3.14Å; G526-R550 VanDerWaalsContact C-NE 3.34Å; G526-R550 PolarHBondContact O-NE 3.39Å
527L69.3Low75Confident152 Ų15262.3 Ų62.380%0.79636%0.359SS*.  trans-41.3134.2-177.4-68152.7000111Q529 R550L527-Q529 PolarHBondContact O-N 3.25Å; L527-R550 PolarHBondContact O-NE 3.13Å; L527-R550 PolarHBondContact O-NH2 3.01Å
528C73.2Confident74.4Confident21 Ų2167.1 Ų67.114%0.14239%0.385CS..  trans-54.5121.7170.3-52.30000107.9G526 G532 C540G526-C528 PolarHBondContact O-N 3.14Å; C528-G532 VanDerWaalsContact CB-O 3.26Å; C528-G532 WeakPolarHBondContact CB-O 3.5Å; C528-C540 VanDerWaalsContact CA-SG 3.54Å; C528-C540 HydrophobicContact CB-CB 3.75Å; C528-C540 WeakPolarHBondContact CB-SG 3.48Å; C528-C540 WeakPolarHBondContact SG-CB 3.5Å; C528-C540 CovalentContact SG-SG 2.03Å; C528-C540 PolarHBondContact SG-SG 2.89Å
529Q78.6Confident74.1Confident67 Ų6767.8 Ų67.831%0.31339%0.386SS..SBendtrans-81.3170.2-178.1-60-176.5-9.500110L527 G531 G532 R550 C551 E552L527-Q529 PolarHBondContact O-N 3.25Å; Q529-G531 PolarHBondContact O-N 2.05Å; Q529-G531 VanDerWaalsContact O-N 3.07Å; Q529-G532 PolarHBondContact O-N 3.45Å; Q529-R550 WeakPolarHBondContact CB-O 3.12Å; Q529-R550 PolarHBondContact N-O 3.3Å; Q529-C551 WeakPolarHBondContact O-CB 3.49Å; Q529-E552 VanDerWaalsContact OE1-CB 3.27Å
530N79.8Confident74.2Confident73 Ų7363.3 Ų63.339%0.3936%0.364SS..THydrogen-bonded Turntrans50.540.6172.5-56.3-34.7000114.1G532 F546 C551N530-G532 VanDerWaalsContact C-N 3.3Å; N530-G532 PolarHBondContact O-N 2.03Å; N530-F546 HydrophobicContact CB-CD1 3.84Å; N530-F546 HydrophobicContact CB-CD2 3.84Å; N530-F546 HydrophobicContact CB-CE1 3.83Å; N530-F546 HydrophobicContact CB-CE2 3.81Å; N530-F546 HydrophobicContact CB-CG 3.84Å; N530-F546 HydrophobicContact CB-CZ 3.81Å; N530-F546 WeakPolarHBondContact ND2-CD1 3.07Å; N530-F546 WeakPolarHBondContact ND2-CE1 3.29Å; N530-C551 PolarHBondContact ND2-O 3.44Å
531G73.8Confident74.3Confident44 Ų4466.9 Ų66.945%0.45438%0.381SS..THydrogen-bonded Turntrans74.511.3177.600000115.7Q529 Q543Q529-G531 PolarHBondContact O-N 2.05Å; Q529-G531 VanDerWaalsContact O-N 3.07Å; G531-Q543 WeakPolarHBondContact O-CG 3.47Å; G531-Q543 PolarHBondContact O-NE2 3.49Å
532G81.6Confident74.6Confident15 Ų1561.4 Ų61.416%0.15536%0.361CS..  trans-63.8149.8176.800000113.6C528 Q529 N530 I541C528-G532 VanDerWaalsContact CB-O 3.26Å; C528-G532 WeakPolarHBondContact CB-O 3.5Å; Q529-G532 PolarHBondContact O-N 3.45Å; N530-G532 VanDerWaalsContact C-N 3.3Å; N530-G532 PolarHBondContact O-N 2.03Å; G532-I541 CarbonylContact C-O 3.19Å; G532-I541 VanDerWaalsContact CA-O 3.25Å; G532-I541 WeakPolarHBondContact CA-O 3.38Å
533T81.7Confident75.2Confident93 Ų9365.8 Ų65.857%0.57138%0.378SS*.EExtended strand (participates in β ladder)trans-108.8126.8-179.3-56.50000111.2I535 I541T533-I535 PolarHBondContact O-N 2.04Å; T533-I541 PolarHBondContact N-O 3.26Å; T533-I541 PolarHBondContact O-N 3.33Å
534C80.8Confident75.8Confident40 Ų4069.5 Ų69.527%0.2740%0.399SS..EExtended strand (participates in β ladder)trans-79.3111.7177.6-1740000109.8C524C524-C534 HydrophobicContact CB-CB 4.18Å; C524-C534 WeakPolarHBondContact CB-SG 3.41Å; C524-C534 WeakPolarHBondContact SG-CB 3.42Å; C524-C534 CovalentContact SG-SG 2.06Å; C524-C534 PolarHBondContact SG-SG 2.89Å
535I78.4Confident76.4Confident85 Ų8569.2 Ų69.244%0.43640%0.399SS..EExtended strand (participates in β ladder)trans-98.7-28.8-178.853.3155.4000113.1T533 N539 I541T533-I535 PolarHBondContact O-N 2.04Å; I535-N539 WeakPolarHBondContact CG1-O 3.3Å; I535-N539 PolarHBondContact N-O 2.81Å; I535-I541 HydrophobicContact CB-CD1 4.49Å; I535-I541 HydrophobicContact CD1-CD1 3.82Å; I535-I541 HydrophobicContact CD1-CG1 3.73Å; I535-I541 HydrophobicContact CG1-CD1 4.26Å; I535-I541 HydrophobicContact CG1-CG1 3.95Å; I535-I541 HydrophobicContact CG2-CD1 3.59Å; I535-I541 HydrophobicContact CG2-CG1 3.9Å
536S71.6Confident77.7Confident34 Ų3464.5 Ų64.524%0.23837%0.372CS..EExtended strand (participates in β ladder)trans-149.5164.9177.372.70000109.7N538 N539S536-N538 PolarHBondContact O-N 2.93Å; S536-N538 VanDerWaalsContact O-N 3.11Å; S536-N539 PolarHBondContact O-N 2.81Å; S536-N539 WeakPolarHBondContact OG-CB 3.42Å
537P70.8Confident78.8Confident51 Ų5167 Ų6733%0.33138%0.383SS..THydrogen-bonded Turntrans-54.5122.4-178.8-20.930.5000110.2G512 Y513 N539G512-P537 WeakPolarHBondContact O-CG 3.19Å; Y513-P537 HydrophobicContact CD2-CG 4.04Å; Y513-P537 HydrophobicContact CE2-CG 3.57Å; P537-N539 VanDerWaalsContact C-N 3.27Å; P537-N539 PolarHBondContact O-N 2.8Å
538N68.6Low79.5Confident101 Ų10161.2 Ų61.254%0.5436%0.36SS..THydrogen-bonded Turntrans58.527-177.3-61.7-24.8000116.2D525 S536D525-N538 PolarHBondContact N-OD1 2.86Å; S536-N538 PolarHBondContact O-N 2.93Å; S536-N538 VanDerWaalsContact O-N 3.11Å
539N76.4Confident79.7Confident80 Ų8066 Ų6643%0.42838%0.379SS..EExtended strand (participates in β ladder)trans-131.2113.6174.2-16616.9000111.1I535 S536 P537I535-N539 WeakPolarHBondContact CG1-O 3.3Å; I535-N539 PolarHBondContact N-O 2.81Å; S536-N539 PolarHBondContact O-N 2.81Å; S536-N539 WeakPolarHBondContact OG-CB 3.42Å; P537-N539 VanDerWaalsContact C-N 3.27Å; P537-N539 PolarHBondContact O-N 2.8Å
540C82.7Confident79.7Confident12 Ų1267 Ų678%0.08138%0.38CS..EExtended strand (participates in β ladder)trans-103134.9178.7-650000110.2C528 K549C528-C540 VanDerWaalsContact CA-SG 3.54Å; C528-C540 HydrophobicContact CB-CB 3.75Å; C528-C540 WeakPolarHBondContact CB-SG 3.48Å; C528-C540 WeakPolarHBondContact SG-CB 3.5Å; C528-C540 CovalentContact SG-SG 2.03Å; C528-C540 PolarHBondContact SG-SG 2.89Å; C540-K549 WeakPolarHBondContact CB-O 3.34Å
541I84.8Confident79.9Confident96 Ų9663.6 Ų63.649%0.49236%0.361SS..EExtended strand (participates in β ladder)trans-88.3122.7160-63.7-177.9000107.3G532 T533 I535G532-I541 CarbonylContact C-O 3.19Å; G532-I541 VanDerWaalsContact CA-O 3.25Å; G532-I541 WeakPolarHBondContact CA-O 3.38Å; T533-I541 PolarHBondContact N-O 3.26Å; T533-I541 PolarHBondContact O-N 3.33Å; I535-I541 HydrophobicContact CB-CD1 4.49Å; I535-I541 HydrophobicContact CD1-CD1 3.82Å; I535-I541 HydrophobicContact CD1-CG1 3.73Å; I535-I541 HydrophobicContact CG1-CD1 4.26Å; I535-I541 HydrophobicContact CG1-CG1 3.95Å; I535-I541 HydrophobicContact CG2-CD1 3.59Å; I535-I541 HydrophobicContact CG2-CG1 3.9Å
542C84.6Confident80.3Confident35 Ų3565.5 Ų65.524%0.23636%0.358CS..PPolyproline II helixtrans-85.2150.4-179.7-54.30000111.9F546 C551C542-F546 HydrophobicContact CB-CB 4.31Å; C542-F546 VanDerWaalsContact CB-O 3.25Å; C542-F546 WeakPolarHBondContact CB-O 3.32Å; C542-C551 WeakPolarHBondContact CA-SG 3.48Å; C542-C551 HydrophobicContact CB-CB 3.6Å; C542-C551 WeakPolarHBondContact CB-SG 3.04Å; C542-C551 PolarHBondContact N-SG 3.34Å; C542-C551 WeakPolarHBondContact SG-CA 3.49Å; C542-C551 WeakPolarHBondContact SG-CB 3.44Å; C542-C551 CovalentContact SG-SG 2.04Å; C542-C551 PolarHBondContact SG-SG 3.29Å
543Q83.9Confident80.4Confident114 Ų11467.7 Ų67.753%0.53337%0.369SS..PPolyproline II helixtrans-66.7157166.7-68.2-165.6-7.400109.6G531 G545 F546G531-Q543 WeakPolarHBondContact O-CG 3.47Å; G531-Q543 PolarHBondContact O-NE2 3.49Å; Q543-G545 PolarHBondContact O-N 2.03Å; Q543-F546 PolarHBondContact O-N 3.09Å; Q543-F546 VanDerWaalsContact O-N 3.13Å
544L80.1Confident80.7Confident173 Ų17365.6 Ų65.691%0.90635%0.354SS*.THydrogen-bonded Turntrans-55.7137.8175.5-63.6169.2000109.3
545G82.6Confident80.9Confident13 Ų1365.7 Ų65.713%0.13435%0.352CS..THydrogen-bonded Turntrans90.2-8.6-174.500000115Q543 I555Q543-G545 PolarHBondContact O-N 2.03Å; G545-I555 WeakPolarHBondContact O-CB 3.44Å; G545-I555 PolarHBondContact O-N 3.11Å
546F86.7Confident81.1Confident33 Ų3364.2 Ų64.215%0.14535%0.345CS..EExtended strand (participates in β ladder)trans-122.7147.1176.4-65.6-80.7000112.6N530 C542 Q543 C551 T553 D554 G576N530-F546 HydrophobicContact CB-CD1 3.84Å; N530-F546 HydrophobicContact CB-CD2 3.84Å; N530-F546 HydrophobicContact CB-CE1 3.83Å; N530-F546 HydrophobicContact CB-CE2 3.81Å; N530-F546 HydrophobicContact CB-CG 3.84Å; N530-F546 HydrophobicContact CB-CZ 3.81Å; N530-F546 WeakPolarHBondContact ND2-CD1 3.07Å; N530-F546 WeakPolarHBondContact ND2-CE1 3.29Å; C542-F546 HydrophobicContact CB-CB 4.31Å; C542-F546 VanDerWaalsContact CB-O 3.25Å; C542-F546 WeakPolarHBondContact CB-O 3.32Å; Q543-F546 PolarHBondContact O-N 3.09Å; Q543-F546 VanDerWaalsContact O-N 3.13Å; F546-C551 HydrophobicContact CB-CB 4.41Å; F546-T553 CarbonylContact C-O 3.57Å; F546-T553 WeakPolarHBondContact CA-O 3.02Å; F546-D554 HydrophobicContact CE1-CB 4.43Å; F546-G576 VanDerWaalsContact CZ-N 3.35Å
547T85.5Confident81.9Confident74 Ų7463.5 Ų63.545%0.45434%0.338SS..EExtended strand (participates in β ladder)trans-134.1-179.6176.4-168.30000110.7C551 E552 T553 I555T547-C551 CarbonylContact O-C 3.43Å; T547-C551 VanDerWaalsContact O-CA 3.27Å; T547-C551 WeakPolarHBondContact O-CA 3.34Å; T547-E552 PolarHBondContact O-N 3.21Å; T547-T553 WeakPolarHBondContact CG2-OG1 3.42Å; T547-T553 PolarHBondContact N-O 3.24Å; T547-T553 PolarHBondContact O-N 3.4Å; T547-T553 VanDerWaalsContact O-N 3.13Å; T547-T553 VanDerWaalsContact O-O 3.08Å; T547-T553 PolarHBondContact O-OG1 2.88Å; T547-I555 HydrophobicContact CG2-CG1 3.78Å
548G82.6Confident82.7Confident31 Ų3163 Ų6332%0.3234%0.335SS..SBendtrans102.2169.7-178.200000113.6R550 C551 E552 T553G548-R550 PolarHBondContact O-N 3.13Å; G548-C551 PolarHBondContact O-N 3.25Å; G548-E552 VanDerWaalsContact C-OE2 3.31Å; G548-E552 WeakPolarHBondContact CA-OE2 3.11Å; G548-T553 PolarHBondContact N-OG1 3.33Å
549K77.6Confident83.4Confident122 Ų12266.1 Ų66.153%0.5334%0.344SS..THydrogen-bonded Turntrans-70.4-25-174.3-70.6178.2-174.6164.60112.5C540 E552C540-K549 WeakPolarHBondContact CB-O 3.34Å; K549-E552 PolarHBondContact N-OE1 3.47Å; K549-E552 PolarHBondContact N-OE2 3.41Å; K549-E552 VanDerWaalsContact N-OE2 3.15Å
550R78.7Confident83.5Confident89 Ų8967.6 Ų67.634%0.33635%0.348SS..THydrogen-bonded Turntrans-12314.7179.6-62.6-17958.9-144.9-6.9111.5G526 L527 Q529 G548 E552G526-R550 VanDerWaalsContact C-NE 3.34Å; G526-R550 PolarHBondContact O-NE 3.39Å; L527-R550 PolarHBondContact O-NE 3.13Å; L527-R550 PolarHBondContact O-NH2 3.01Å; Q529-R550 WeakPolarHBondContact CB-O 3.12Å; Q529-R550 PolarHBondContact N-O 3.3Å; G548-R550 PolarHBondContact O-N 3.13Å; R550-E552 VanDerWaalsContact CA-OE2 3.23Å; R550-E552 WeakPolarHBondContact CA-OE2 3.05Å; R550-E552 WeakPolarHBondContact CB-OE2 3.47Å; R550-E552 PolarHBondContact N-OE2 2.99Å; R550-E552 PolarHBondContact O-N 2.82Å
551C85Confident83.1Confident0 Ų069.6 Ų69.60%037%0.371CS..SBendtrans60.831.7-176.8-43.80000112.8Q529 N530 C542 F546 T547 G548Q529-C551 WeakPolarHBondContact O-CB 3.49Å; N530-C551 PolarHBondContact ND2-O 3.44Å; C542-C551 WeakPolarHBondContact CA-SG 3.48Å; C542-C551 HydrophobicContact CB-CB 3.6Å; C542-C551 WeakPolarHBondContact CB-SG 3.04Å; C542-C551 PolarHBondContact N-SG 3.34Å; C542-C551 WeakPolarHBondContact SG-CA 3.49Å; C542-C551 WeakPolarHBondContact SG-CB 3.44Å; C542-C551 CovalentContact SG-SG 2.04Å; C542-C551 PolarHBondContact SG-SG 3.29Å; F546-C551 HydrophobicContact CB-CB 4.41Å; T547-C551 CarbonylContact O-C 3.43Å; T547-C551 VanDerWaalsContact O-CA 3.27Å; T547-C551 WeakPolarHBondContact O-CA 3.34Å; G548-C551 PolarHBondContact O-N 3.25Å
552E82.2Confident82.8Confident84 Ų8472 Ų7239%0.39338%0.378SS..  trans-82.8-24.2-174.568.4-83.6-150.500113Q529 T547 G548 K549 R550Q529-E552 VanDerWaalsContact OE1-CB 3.27Å; T547-E552 PolarHBondContact O-N 3.21Å; G548-E552 VanDerWaalsContact C-OE2 3.31Å; G548-E552 WeakPolarHBondContact CA-OE2 3.11Å; K549-E552 PolarHBondContact N-OE1 3.47Å; K549-E552 PolarHBondContact N-OE2 3.41Å; K549-E552 VanDerWaalsContact N-OE2 3.15Å; R550-E552 VanDerWaalsContact CA-OE2 3.23Å; R550-E552 WeakPolarHBondContact CA-OE2 3.05Å; R550-E552 WeakPolarHBondContact CB-OE2 3.47Å; R550-E552 PolarHBondContact N-OE2 2.99Å; R550-E552 PolarHBondContact O-N 2.82Å
553T83.6Confident82.6Confident61 Ų6171.2 Ų71.237%0.37437%0.372SS..EExtended strand (participates in β ladder)trans-102.1130.9-177.144.70000110.4F546 T547 G548F546-T553 CarbonylContact C-O 3.57Å; F546-T553 WeakPolarHBondContact CA-O 3.02Å; T547-T553 WeakPolarHBondContact CG2-OG1 3.42Å; T547-T553 PolarHBondContact N-O 3.24Å; T547-T553 PolarHBondContact O-N 3.4Å; T547-T553 VanDerWaalsContact O-N 3.13Å; T547-T553 VanDerWaalsContact O-O 3.08Å; T547-T553 PolarHBondContact O-OG1 2.88Å; G548-T553 PolarHBondContact N-OG1 3.33Å
554D86.6Confident82.5Confident50 Ų5074.5 Ų74.527%0.26739%0.387SS..EExtended strand (participates in β ladder)trans-67.9146.5166.8-178.656.2000111F546 N573 P575 G576F546-D554 HydrophobicContact CE1-CB 4.43Å; D554-N573 PolarHBondContact OD2-ND2 3.46Å; D554-N573 PolarHBondContact OD2-OD1 3.43Å; D554-P575 WeakPolarHBondContact OD1-CA 3.07Å; D554-G576 PolarHBondContact OD1-N 3.47Å
555I85.4Confident82.8Confident42 Ų4267.4 Ų67.422%0.21535%0.352CS..  trans-93.7113.9172.6-62.6173.6000107.2G545 T547 E557 F562G545-I555 WeakPolarHBondContact O-CB 3.44Å; G545-I555 PolarHBondContact O-N 3.11Å; T547-I555 HydrophobicContact CG2-CG1 3.78Å; I555-E557 HydrophobicContact CG2-CG 4.37Å; I555-E557 PolarHBondContact O-N 3.27Å; I555-F562 HydrophobicContact CG2-CD2 4.1Å; I555-F562 HydrophobicContact CG2-CE2 4.03Å
556D83.8Confident82.9Confident54 Ų5469 Ų6929%0.28936%0.358SS..  trans-7694.4174.2-170.3-31.5000110.5C558 F559 H560D556-C558 PolarHBondContact O-N 2.9Å; D556-C558 WeakPolarHBondContact OD1-CB 3.1Å; D556-C558 PolarHBondContact OD1-N 3.46Å; D556-C558 VanDerWaalsContact OD1-N 3.15Å; D556-F559 HydrophobicContact CB-CB 4Å; D556-F559 VanDerWaalsContact CG-CB 3.5Å; D556-F559 PolarHBondContact O-N 3.41Å; D556-F559 PolarHBondContact OD1-N 3.36Å; D556-H560 WeakPolarHBondContact O-CB 3.45Å; D556-H560 PolarHBondContact O-CD2 3.41Å; D556-H560 PolarHBondContact O-N 3.26Å
557E88.3Confident82.8Confident18 Ų1874.9 Ų74.98%0.08439%0.391CS..THydrogen-bonded Turntrans-66.2-25.2-176.3-59.192.8161.300113I555 G561 F562 V563 N573 Y578I555-E557 HydrophobicContact CG2-CG 4.37Å; I555-E557 PolarHBondContact O-N 3.27Å; E557-G561 PolarHBondContact O-N 3.17Å; E557-F562 HydrophobicContact CB-CB 4.46Å; E557-F562 PolarHBondContact O-N 2.99Å; E557-V563 HydrophobicContact CB-CB 4.45Å; E557-V563 HydrophobicContact CB-CG2 3.8Å; E557-N573 PolarHBondContact OE2-OD1 3.19Å; E557-Y578 HydrophobicContact CB-CD1 3.89Å; E557-Y578 HydrophobicContact CB-CG 4.12Å; E557-Y578 HydrophobicContact CG-CD1 3.76Å; E557-Y578 HydrophobicContact CG-CE1 4.49Å; E557-Y578 HydrophobicContact CG-CG 4.43Å; E557-Y578 WeakPolarHBondContact OE2-CB 3.42Å
558C86.6Confident82.9Confident40 Ų4073.9 Ų73.927%0.2738%0.38SS..THydrogen-bonded Turntrans-75.3-41.8178.5-540000111.7D556 C571 V572 N573D556-C558 PolarHBondContact O-N 2.9Å; D556-C558 WeakPolarHBondContact OD1-CB 3.1Å; D556-C558 PolarHBondContact OD1-N 3.46Å; D556-C558 VanDerWaalsContact OD1-N 3.15Å; C558-C571 WeakPolarHBondContact CA-SG 3.49Å; C558-C571 HydrophobicContact CB-CB 3.73Å; C558-C571 WeakPolarHBondContact CB-SG 3.41Å; C558-C571 WeakPolarHBondContact SG-CB 3.36Å; C558-C571 CovalentContact SG-SG 2.04Å; C558-C571 PolarHBondContact SG-SG 3.2Å; C558-V572 VanDerWaalsContact SG-C 3.52Å; C558-V572 PolarHBondContact SG-N 3.41Å; C558-V572 VanDerWaalsContact SG-N 3.44Å; C558-N573 PolarHBondContact SG-N 3.25Å; C558-N573 VanDerWaalsContact SG-N 3.43Å
559F84.1Confident83.1Confident167 Ų16773 Ų7373%0.73237%0.37SS*.THydrogen-bonded Turntrans-74.8-38.7179-178.3-100.2000112.4D556 G561D556-F559 HydrophobicContact CB-CB 4Å; D556-F559 VanDerWaalsContact CG-CB 3.5Å; D556-F559 PolarHBondContact O-N 3.41Å; D556-F559 PolarHBondContact OD1-N 3.36Å; F559-G561 PolarHBondContact O-N 3.5Å
560H78.3Confident83.6Confident112 Ų11271.7 Ų71.752%0.51937%0.367SS..THydrogen-bonded Turntrans-78.7-5.6-177.9-76.9-76.5000113.9D556 F562D556-H560 WeakPolarHBondContact O-CB 3.45Å; D556-H560 PolarHBondContact O-CD2 3.41Å; D556-H560 PolarHBondContact O-N 3.26Å; H560-F562 HydrophobicContact CB-CD2 3.37Å; H560-F562 HydrophobicContact CB-CE2 3.29Å; H560-F562 HydrophobicContact CB-CG 4.2Å; H560-F562 HydrophobicContact CB-CZ 4.06Å; H560-F562 AromaticContact CG-CE2 3.81Å; H560-F562 PolarHBondContact O-N 3.35Å
561G74.3Confident84Confident54 Ų5469 Ų6956%0.55736%0.362SS*.THydrogen-bonded Turntrans6624.2179.600000113E557 F559E557-G561 PolarHBondContact O-N 3.17Å; F559-G561 PolarHBondContact O-N 3.5Å
562F78.6Confident84Confident145 Ų14571.6 Ų71.664%0.63638%0.377SS*.SBendtrans-73.4-22.5174.7-68.1-52.1000111.8I555 E557 H560I555-F562 HydrophobicContact CG2-CD2 4.1Å; I555-F562 HydrophobicContact CG2-CE2 4.03Å; E557-F562 HydrophobicContact CB-CB 4.46Å; E557-F562 PolarHBondContact O-N 2.99Å; H560-F562 HydrophobicContact CB-CD2 3.37Å; H560-F562 HydrophobicContact CB-CE2 3.29Å; H560-F562 HydrophobicContact CB-CG 4.2Å; H560-F562 HydrophobicContact CB-CZ 4.06Å; H560-F562 AromaticContact CG-CE2 3.81Å; H560-F562 PolarHBondContact O-N 3.35Å
563V79.6Confident84.1Confident20 Ų2069.9 Ų69.912%0.12137%0.371CS..  trans-124.6119.8179.5175.60000108.5E557 Y578E557-V563 HydrophobicContact CB-CB 4.45Å; E557-V563 HydrophobicContact CB-CG2 3.8Å; V563-Y578 HydrophobicContact CB-CD2 4.17Å; V563-Y578 HydrophobicContact CB-CE2 3.96Å; V563-Y578 HydrophobicContact CG1-CD2 3.66Å; V563-Y578 HydrophobicContact CG1-CE2 3.27Å; V563-Y578 HydrophobicContact CG2-CD1 3.74Å; V563-Y578 HydrophobicContact CG2-CD2 3.82Å; V563-Y578 HydrophobicContact CG2-CE1 3.38Å; V563-Y578 HydrophobicContact CG2-CE2 3.48Å; V563-Y578 VanDerWaalsContact CG2-CE2 3.48Å; V563-Y578 HydrophobicContact CG2-CG 3.94Å
564E83Confident83.9Confident182 Ų18269.6 Ų69.685%0.8537%0.367SS*.  trans-98.1107.6159.4-88.6176.6150.600107.4
565C84.8Confident83.6Confident24 Ų2472.2 Ų72.216%0.16239%0.387CS..  trans-66.1153.8167.5-63.50000109.8A569 C571 C580 N595C565-A569 HydrophobicContact CB-CB 4.22Å; C565-C571 VanDerWaalsContact SG-CA 3.51Å; C565-C571 VanDerWaalsContact SG-CB 3.51Å; C565-C580 HydrophobicContact CB-CB 3.76Å; C565-C580 WeakPolarHBondContact CB-SG 3.47Å; C565-C580 WeakPolarHBondContact SG-CB 3.37Å; C565-C580 CovalentContact SG-SG 2.03Å; C565-C580 PolarHBondContact SG-SG 2.86Å; C565-N595 WeakPolarHBondContact CA-O 3.07Å
566D85.4Confident83.4Confident48 Ų4871 Ų7126%0.25739%0.385SS..  trans-53.2151.5172.6-170-86.3000111.2K568 A569 N595D566-K568 PolarHBondContact O-N 3.35Å; D566-K568 PolarHBondContact OD1-N 2.8Å; D566-K568 VanDerWaalsContact OD1-N 3.09Å; D566-A569 PolarHBondContact O-N 3.39Å; D566-A569 VanDerWaalsContact O-O 3.11Å; D566-N595 PolarHBondContact N-O 2.69Å
567D85.4Confident83.5Confident156 Ų15674.8 Ų74.883%0.83440%0.395SS*.THydrogen-bonded Turntrans-53.1-20.4179.7-63.4-30.5000113.4L583D567-L583 WeakPolarHBondContact O-CD1 3.34Å
568K87.1Confident83.4Confident52 Ų5276.7 Ų76.723%0.22640%0.402CS..THydrogen-bonded Turntrans-94.44.8179.1-61.5172-122-66.50114.2D566 L583 Y586 C599 E622D566-K568 PolarHBondContact O-N 3.35Å; D566-K568 PolarHBondContact OD1-N 2.8Å; D566-K568 VanDerWaalsContact OD1-N 3.09Å; K568-L583 WeakPolarHBondContact O-CG 3.06Å; K568-L583 PolarHBondContact O-N 2.95Å; K568-Y586 HydrophobicContact CB-CD1 4.01Å; K568-Y586 HydrophobicContact CB-CE1 4.11Å; K568-Y586 HydrophobicContact CB-CG 4.24Å; K568-Y586 HydrophobicContact CD-CD1 3.78Å; K568-Y586 HydrophobicContact CD-CE1 3.42Å; K568-Y586 VanDerWaalsContact CD-CE1 3.42Å; K568-Y586 HydrophobicContact CG-CD1 4Å; K568-Y586 HydrophobicContact CG-CE1 3.6Å; K568-Y586 HydrophobicContact CG-CE2 4.43Å; K568-C599 HydrophobicContact CB-CB 4.03Å; K568-E622 IonicContact NZ-OE1 2.69Å; K568-E622 PolarHBondContact NZ-OE1 2.73Å
569A86.6Confident83.3Confident13 Ų1377.1 Ų77.111%0.10740%0.4CS..EExtended strand (participates in β ladder)trans-136.5155.7-177.100000112.6C565 D566 C580 E581C565-A569 HydrophobicContact CB-CB 4.22Å; D566-A569 PolarHBondContact O-N 3.39Å; D566-A569 VanDerWaalsContact O-O 3.11Å; A569-C580 HydrophobicContact CB-CB 3.98Å; A569-E581 CarbonylContact C-O 3.6Å; A569-E581 WeakPolarHBondContact CA-O 3.37Å; A569-E581 WeakPolarHBondContact CB-O 3.27Å
570I87.6Confident83.4Confident94 Ų9469.2 Ų69.248%0.48237%0.366SS..EExtended strand (participates in β ladder)trans-115.3138176.4-168.1163.9000110.6C580 E581 L583I570-C580 CarbonylContact O-C 3.59Å; I570-C580 WeakPolarHBondContact O-CA 3.01Å; I570-E581 HydrophobicContact CG2-CB 4.26Å; I570-E581 PolarHBondContact N-O 3.46Å; I570-E581 PolarHBondContact O-N 3.1Å; I570-L583 HydrophobicContact CB-CD2 4.1Å; I570-L583 HydrophobicContact CG2-CD2 4.41Å
571C87.4Confident83.8Confident32 Ų3269.4 Ų69.422%0.21637%0.367CS..EExtended strand (participates in β ladder)trans-76.3131.7178.9-169.50000111.1C558 C565C558-C571 WeakPolarHBondContact CA-SG 3.49Å; C558-C571 HydrophobicContact CB-CB 3.73Å; C558-C571 WeakPolarHBondContact CB-SG 3.41Å; C558-C571 WeakPolarHBondContact SG-CB 3.36Å; C558-C571 CovalentContact SG-SG 2.04Å; C558-C571 PolarHBondContact SG-SG 3.2Å; C565-C571 VanDerWaalsContact SG-CA 3.51Å; C565-C571 VanDerWaalsContact SG-CB 3.51Å
572V85.4Confident84.3Confident55 Ų5568.3 Ų68.333%0.33335%0.35SS..EExtended strand (participates in β ladder)trans-123.4120.7174-175.90000108.8C558 H579 E581C558-V572 VanDerWaalsContact SG-C 3.52Å; C558-V572 PolarHBondContact SG-N 3.41Å; C558-V572 VanDerWaalsContact SG-N 3.44Å; V572-H579 PolarHBondContact N-O 3.11Å; V572-H579 PolarHBondContact O-N 2.92Å; V572-E581 HydrophobicContact CG2-CB 4.25Å
573N84.3Confident84.6Confident49 Ų4964.7 Ų64.726%0.26234%0.337SS..EExtended strand (participates in β ladder)trans-77.5137.3178.1-176.534.6000111.2D554 E557 C558D554-N573 PolarHBondContact OD2-ND2 3.46Å; D554-N573 PolarHBondContact OD2-OD1 3.43Å; E557-N573 PolarHBondContact OE2-OD1 3.19Å; C558-N573 PolarHBondContact SG-N 3.25Å; C558-N573 VanDerWaalsContact SG-N 3.43Å
574L79.4Confident84.7Confident55 Ų5571.4 Ų71.429%0.28837%0.372SS..EExtended strand (participates in β ladder)trans-134.9155.4176.7-60.1166.7000110.1G576 W577 H579L574-G576 PolarHBondContact O-N 3.44Å; L574-W577 CarbonylContact C-O 3.48Å; L574-W577 VanDerWaalsContact CA-O 3.22Å; L574-W577 WeakPolarHBondContact CA-O 3.06Å; L574-W577 HydrophobicContact CB-CG 4.3Å; L574-W577 WeakPolarHBondContact CB-O 3.38Å; L574-W577 HydrophobicContact CD1-CD2 4.12Å; L574-W577 VanDerWaalsContact CD1-CE2 3.44Å; L574-W577 HydrophobicContact CD1-CH2 3.99Å; L574-W577 HydrophobicContact CD1-CZ2 3.39Å; L574-W577 PolarHBondContact N-O 3.01Å; L574-W577 CarbonylContact O-C 3.6Å; L574-W577 PolarHBondContact O-N 3.25Å; L574-W577 VanDerWaalsContact O-N 3.11Å; L574-H579 HydrophobicContact CD1-CB 4.25Å
575P81.2Confident84.5Confident104 Ų10463.7 Ų63.768%0.67534%0.341SS*.THydrogen-bonded Turntrans-62.8109.8-179.5-22.933.8000112.5D554D554-P575 WeakPolarHBondContact OD1-CA 3.07Å
576G80.1Confident84.5Confident18 Ų1864.3 Ų64.319%0.18634%0.341CS..THydrogen-bonded Turntrans88.81.9178.700000115.5F546 D554 L574F546-G576 VanDerWaalsContact CZ-N 3.35Å; D554-G576 PolarHBondContact OD1-N 3.47Å; L574-G576 PolarHBondContact O-N 3.44Å
577W85Confident84.5Confident132 Ų13266.1 Ų66.150%0.535%0.347SS..EExtended strand (participates in β ladder)trans-169.8170.1-177.968.9-51.7000112.1L574 H579L574-W577 CarbonylContact C-O 3.48Å; L574-W577 VanDerWaalsContact CA-O 3.22Å; L574-W577 WeakPolarHBondContact CA-O 3.06Å; L574-W577 HydrophobicContact CB-CG 4.3Å; L574-W577 WeakPolarHBondContact CB-O 3.38Å; L574-W577 HydrophobicContact CD1-CD2 4.12Å; L574-W577 VanDerWaalsContact CD1-CE2 3.44Å; L574-W577 HydrophobicContact CD1-CH2 3.99Å; L574-W577 HydrophobicContact CD1-CZ2 3.39Å; L574-W577 PolarHBondContact N-O 3.01Å; L574-W577 CarbonylContact O-C 3.6Å; L574-W577 PolarHBondContact O-N 3.25Å; L574-W577 VanDerWaalsContact O-N 3.11Å; W577-H579 HydrophobicContact CZ3-CB 4.34Å
578Y86.4Confident84.4Confident59 Ų5961.1 Ų61.123%0.23132%0.321CS..EExtended strand (participates in β ladder)trans-123.2164.5174.465.6-80.6000111.1E557 V563 T594E557-Y578 HydrophobicContact CB-CD1 3.89Å; E557-Y578 HydrophobicContact CB-CG 4.12Å; E557-Y578 HydrophobicContact CG-CD1 3.76Å; E557-Y578 HydrophobicContact CG-CE1 4.49Å; E557-Y578 HydrophobicContact CG-CG 4.43Å; E557-Y578 WeakPolarHBondContact OE2-CB 3.42Å; V563-Y578 HydrophobicContact CB-CD2 4.17Å; V563-Y578 HydrophobicContact CB-CE2 3.96Å; V563-Y578 HydrophobicContact CG1-CD2 3.66Å; V563-Y578 HydrophobicContact CG1-CE2 3.27Å; V563-Y578 HydrophobicContact CG2-CD1 3.74Å; V563-Y578 HydrophobicContact CG2-CD2 3.82Å; V563-Y578 HydrophobicContact CG2-CE1 3.38Å; V563-Y578 HydrophobicContact CG2-CE2 3.48Å; V563-Y578 VanDerWaalsContact CG2-CE2 3.48Å; V563-Y578 HydrophobicContact CG2-CG 3.94Å; Y578-T594 VanDerWaalsContact CE2-O 3.31Å; Y578-T594 WeakPolarHBondContact CE2-O 3.46Å
579H85.4Confident84Confident48 Ų4862.4 Ų62.422%0.22233%0.33CS..EExtended strand (participates in β ladder)trans-138.8140167.7-18048.2000111.6V572 L574 W577 F592V572-H579 PolarHBondContact N-O 3.11Å; V572-H579 PolarHBondContact O-N 2.92Å; L574-H579 HydrophobicContact CD1-CB 4.25Å; W577-H579 HydrophobicContact CZ3-CB 4.34Å; H579-F592 AromaticContact CE1-CD2 3.92Å; H579-F592 AromaticContact CE1-CE2 3.1Å; H579-F592 WeakPolarHBondContact CE1-CE2 3.49Å; H579-F592 AromaticContact CE1-CZ 3.72Å; H579-F592 AromaticContact ND1-CE2 3.25Å; H579-F592 VanDerWaalsContact ND1-CE2 3.25Å; H579-F592 WeakPolarHBondContact ND1-CE2 3.48Å; H579-F592 AromaticContact ND1-CZ 3.36Å; H579-F592 WeakPolarHBondContact ND1-CZ 3.27Å; H579-F592 AromaticContact NE2-CE2 3.93Å
580C86.8Confident83.4Confident2 Ų265.1 Ų65.11%0.01436%0.359CS..EExtended strand (participates in β ladder)trans-92.1106.6171.5-62.20000109.6C565 A569 I570 T594C565-C580 HydrophobicContact CB-CB 3.76Å; C565-C580 WeakPolarHBondContact CB-SG 3.47Å; C565-C580 WeakPolarHBondContact SG-CB 3.37Å; C565-C580 CovalentContact SG-SG 2.03Å; C565-C580 PolarHBondContact SG-SG 2.86Å; A569-C580 HydrophobicContact CB-CB 3.98Å; I570-C580 CarbonylContact O-C 3.59Å; I570-C580 WeakPolarHBondContact O-CA 3.01Å; C580-T594 PolarHBondContact SG-O 3.12Å
581E85.3Confident82.6Confident116 Ų11667.1 Ų67.154%0.54237%0.37SS..EExtended strand (participates in β ladder)trans-85.5136.2177.2-176.5173.2-166.100110.5A569 I570 V572A569-E581 CarbonylContact C-O 3.6Å; A569-E581 WeakPolarHBondContact CA-O 3.37Å; A569-E581 WeakPolarHBondContact CB-O 3.27Å; I570-E581 HydrophobicContact CG2-CB 4.26Å; I570-E581 PolarHBondContact N-O 3.46Å; I570-E581 PolarHBondContact O-N 3.1Å; V572-E581 HydrophobicContact CG2-CB 4.25Å
582C86.3Confident81.7Confident31 Ų3171.4 Ų71.421%0.20939%0.386CS..EExtended strand (participates in β ladder)trans-64.8140.1178.8-58.70000111.7C599C582-C599 WeakPolarHBondContact CA-SG 3.35Å; C582-C599 HydrophobicContact CB-CB 3.86Å; C582-C599 WeakPolarHBondContact CB-SG 3.15Å; C582-C599 VanDerWaalsContact SG-CA 3.53Å; C582-C599 WeakPolarHBondContact SG-CB 3.38Å; C582-C599 CovalentContact SG-SG 2.04Å; C582-C599 PolarHBondContact SG-SG 2.99Å
583L83.4Confident81.2Confident69 Ų6970.1 Ų70.136%0.36138%0.379SS..PPolyproline II helixtrans-65.1158.7173.7-67.3174.1000111.5D567 K568 I570 G585 Y586D567-L583 WeakPolarHBondContact O-CD1 3.34Å; K568-L583 WeakPolarHBondContact O-CG 3.06Å; K568-L583 PolarHBondContact O-N 2.95Å; I570-L583 HydrophobicContact CB-CD2 4.1Å; I570-L583 HydrophobicContact CG2-CD2 4.41Å; L583-G585 PolarHBondContact O-N 3.26Å; L583-Y586 HydrophobicContact CB-CD2 4.07Å; L583-Y586 WeakPolarHBondContact O-CB 3.22Å; L583-Y586 PolarHBondContact O-N 3.19Å
584D81.9Confident80.7Confident161 Ų16171.7 Ų71.786%0.86139%0.39SS*.THydrogen-bonded Turntrans-52.5132.9173.7-71.6-28.6000111.3Y586D584-Y586 VanDerWaalsContact C-N 3.35Å
585G78.8Confident80.6Confident19 Ų1972.2 Ų72.220%0.19639%0.393CS..THydrogen-bonded Turntrans89.7-4.4-174.100000114.3L583 I602L583-G585 PolarHBondContact O-N 3.26Å; G585-I602 WeakPolarHBondContact O-CB 3.4Å; G585-I602 WeakPolarHBondContact O-CG1 3.47Å; G585-I602 PolarHBondContact O-N 3.44Å
586Y85.5Confident80.4Confident38 Ų3867.2 Ų67.215%0.14936%0.361CS..EExtended strand (participates in β ladder)trans-115.7153.4174.2-62.2-92000111.4K568 L583 D584 I600 D601 E622 G623K568-Y586 HydrophobicContact CB-CD1 4.01Å; K568-Y586 HydrophobicContact CB-CE1 4.11Å; K568-Y586 HydrophobicContact CB-CG 4.24Å; K568-Y586 HydrophobicContact CD-CD1 3.78Å; K568-Y586 HydrophobicContact CD-CE1 3.42Å; K568-Y586 VanDerWaalsContact CD-CE1 3.42Å; K568-Y586 HydrophobicContact CG-CD1 4Å; K568-Y586 HydrophobicContact CG-CE1 3.6Å; K568-Y586 HydrophobicContact CG-CE2 4.43Å; L583-Y586 HydrophobicContact CB-CD2 4.07Å; L583-Y586 WeakPolarHBondContact O-CB 3.22Å; L583-Y586 PolarHBondContact O-N 3.19Å; D584-Y586 VanDerWaalsContact C-N 3.35Å; Y586-I600 CarbonylContact C-O 3.56Å; Y586-I600 VanDerWaalsContact CA-O 3.3Å; Y586-I600 WeakPolarHBondContact CA-O 3.44Å; Y586-D601 HydrophobicContact CD1-CB 4.26Å; Y586-D601 HydrophobicContact CE1-CB 4.04Å; Y586-E622 HydrophobicContact CE1-CG 4.22Å; Y586-E622 WeakPolarHBondContact OH-CG 2.98Å; Y586-G623 VanDerWaalsContact CZ-N 3.33Å; Y586-G623 WeakPolarHBondContact OH-CA 3.36Å; Y586-G623 PolarHBondContact OH-N 3.32Å; Y586-G623 VanDerWaalsContact OH-N 3.11Å
587H84.4Confident80.5Confident86 Ų8672.9 Ų72.940%0.39838%0.383SS..EExtended strand (participates in β ladder)trans-140.2154.217374.7125.4000110.7I600 I602H587-I600 PolarHBondContact CD2-O 2.8Å; H587-I600 PolarHBondContact N-O 3.43Å; H587-I600 VanDerWaalsContact O-CG1 3.29Å; H587-I600 WeakPolarHBondContact O-CG1 3.13Å; H587-I600 PolarHBondContact O-N 3.44Å; H587-I602 HydrophobicContact CB-CD1 4.04Å; H587-I602 HydrophobicContact CB-CG1 3.76Å; H587-I602 VanDerWaalsContact CD2-CG1 3.44Å; H587-I602 WeakPolarHBondContact CD2-CG1 2.98Å
588D83Confident80.5Confident51 Ų5166.9 Ų66.927%0.27336%0.361SS..EExtended strand (participates in β ladder)trans-66.4137.4175.1-162.4-60.3000110.2G590 L591 S598D588-G590 PolarHBondContact O-N 3.39Å; D588-G590 VanDerWaalsContact O-N 3.11Å; D588-G590 PolarHBondContact OD1-N 3.13Å; D588-L591 PolarHBondContact OD1-N 3.42Å; D588-S598 WeakPolarHBondContact CA-O 2.97Å; D588-S598 WeakPolarHBondContact OD1-CB 3.12Å; D588-S598 WeakPolarHBondContact OD2-CB 3.42Å; D588-S598 PolarHBondContact OD2-OG 2.78Å
589N80.4Confident80.6Confident78 Ų7864.3 Ų64.342%0.41735%0.351SS..  trans-69.52176.767.519.1000113.9L591 S598 I600N589-L591 WeakPolarHBondContact OD1-CB 3.35Å; N589-L591 PolarHBondContact OD1-N 3.36Å; N589-L591 PolarHBondContact OD1-O 3.31Å; N589-S598 PolarHBondContact N-O 2.8Å; N589-I600 HydrophobicContact CB-CD1 3.81Å; N589-I600 HydrophobicContact CB-CG1 4.01Å; N589-I600 HydrophobicContact CB-CG2 4.1Å
590G72.4Confident80.7Confident71 Ų7165.6 Ų65.673%0.73236%0.359SS*.SBendtrans95.50.6178.900000113.7D588D588-G590 PolarHBondContact O-N 3.39Å; D588-G590 VanDerWaalsContact O-N 3.11Å; D588-G590 PolarHBondContact OD1-N 3.13Å
591L71.4Confident80.8Confident135 Ų13567.2 Ų67.271%0.70737%0.367SS*.SBendtrans-117.698.1171.7-80.7144.9000107.4D588 N589 S593 S598D588-L591 PolarHBondContact OD1-N 3.42Å; N589-L591 WeakPolarHBondContact OD1-CB 3.35Å; N589-L591 PolarHBondContact OD1-N 3.36Å; N589-L591 PolarHBondContact OD1-O 3.31Å; L591-S593 PolarHBondContact O-N 2.94Å; L591-S598 WeakPolarHBondContact O-CB 3.33Å
592F69Low80.9Confident123 Ų12362.9 Ų62.954%0.53935%0.348SS..  trans-52.8122.6177.8178.1-90000111.4H579 T594H579-F592 AromaticContact CE1-CD2 3.92Å; H579-F592 AromaticContact CE1-CE2 3.1Å; H579-F592 WeakPolarHBondContact CE1-CE2 3.49Å; H579-F592 AromaticContact CE1-CZ 3.72Å; H579-F592 AromaticContact ND1-CE2 3.25Å; H579-F592 VanDerWaalsContact ND1-CE2 3.25Å; H579-F592 WeakPolarHBondContact ND1-CE2 3.48Å; H579-F592 AromaticContact ND1-CZ 3.36Å; H579-F592 WeakPolarHBondContact ND1-CZ 3.27Å; H579-F592 AromaticContact NE2-CE2 3.93Å; F592-T594 HydrophobicContact CE1-CG2 4.21Å
593S75.8Confident80.9Confident28 Ų2863.4 Ų63.420%0.19635%0.349CS..  trans-112.3135172.6-177.10000110.4L591 N595 G596 S598L591-S593 PolarHBondContact O-N 2.94Å; S593-N595 PolarHBondContact O-N 3.32Å; S593-G596 PolarHBondContact O-N 2.52Å; S593-S598 PolarHBondContact N-OG 2.82Å
594T71.8Confident81.1Confident82 Ų8260.8 Ų60.850%0.50334%0.335SS..THydrogen-bonded Turntrans-66.1-20.1179.351.60000113.3Y578 C580 F592Y578-T594 VanDerWaalsContact CE2-O 3.31Å; Y578-T594 WeakPolarHBondContact CE2-O 3.46Å; C580-T594 PolarHBondContact SG-O 3.12Å; F592-T594 HydrophobicContact CE1-CG2 4.21Å
595N78.2Confident81.2Confident65 Ų6555 Ų5535%0.34831%0.306SS..THydrogen-bonded Turntrans-108.13-174.3-60.28.8000112.7C565 D566 S593 E597C565-N595 WeakPolarHBondContact CA-O 3.07Å; D566-N595 PolarHBondContact N-O 2.69Å; S593-N595 PolarHBondContact O-N 3.32Å; N595-E597 VanDerWaalsContact C-N 3.32Å; N595-E597 PolarHBondContact O-N 3.35Å
596G77.4Confident81.4Confident0 Ų062.7 Ų62.70%033%0.334CS..SBendtrans80.23.7-178.900000115.5S593 S598 C599S593-G596 PolarHBondContact O-N 2.52Å; G596-S598 PolarHBondContact O-N 2.84Å; G596-S598 VanDerWaalsContact O-N 3.09Å; G596-C599 VanDerWaalsContact O-CB 3.3Å; G596-C599 WeakPolarHBondContact O-CB 3.33Å; G596-C599 PolarHBondContact O-N 2.78Å; G596-C599 VanDerWaalsContact O-N 3.08Å; G596-C599 PolarHBondContact O-SG 3.16Å
597E82.4Confident81.2Confident137 Ų13764.6 Ų64.664%0.6435%0.35SS*.THydrogen-bonded Turntrans-62-17.3175.8-65.2-176163.100113.5N595 C599N595-E597 VanDerWaalsContact C-N 3.32Å; N595-E597 PolarHBondContact O-N 3.35Å; E597-C599 PolarHBondContact O-N 3.46Å
598S84.5Confident80.7Confident5 Ų563.4 Ų63.44%0.03536%0.36CS..THydrogen-bonded Turntrans-75.2-11.9177.654.10000113.1D588 N589 L591 S593 G596 I600D588-S598 WeakPolarHBondContact CA-O 2.97Å; D588-S598 WeakPolarHBondContact OD1-CB 3.12Å; D588-S598 WeakPolarHBondContact OD2-CB 3.42Å; D588-S598 PolarHBondContact OD2-OG 2.78Å; N589-S598 PolarHBondContact N-O 2.8Å; L591-S598 WeakPolarHBondContact O-CB 3.33Å; S593-S598 PolarHBondContact N-OG 2.82Å; G596-S598 PolarHBondContact O-N 2.84Å; G596-S598 VanDerWaalsContact O-N 3.09Å; S598-I600 PolarHBondContact O-N 2.95Å
599C87.7Confident80.2Confident5 Ų569.2 Ų69.23%0.03438%0.379CS..EExtended strand (participates in β ladder)trans-70.4110.4178.8-61.40000110.6K568 C582 G596 E597K568-C599 HydrophobicContact CB-CB 4.03Å; C582-C599 WeakPolarHBondContact CA-SG 3.35Å; C582-C599 HydrophobicContact CB-CB 3.86Å; C582-C599 WeakPolarHBondContact CB-SG 3.15Å; C582-C599 VanDerWaalsContact SG-CA 3.53Å; C582-C599 WeakPolarHBondContact SG-CB 3.38Å; C582-C599 CovalentContact SG-SG 2.04Å; C582-C599 PolarHBondContact SG-SG 2.99Å; G596-C599 VanDerWaalsContact O-CB 3.3Å; G596-C599 WeakPolarHBondContact O-CB 3.33Å; G596-C599 PolarHBondContact O-N 2.78Å; G596-C599 VanDerWaalsContact O-N 3.08Å; G596-C599 PolarHBondContact O-SG 3.16Å; E597-C599 PolarHBondContact O-N 3.46Å
600I88.1Confident80Confident75 Ų7567.7 Ų67.739%0.38537%0.37SS..EExtended strand (participates in β ladder)trans-110.9149.8174.859.1165.9000110.3Y586 H587 N589 S598 I602Y586-I600 CarbonylContact C-O 3.56Å; Y586-I600 VanDerWaalsContact CA-O 3.3Å; Y586-I600 WeakPolarHBondContact CA-O 3.44Å; H587-I600 PolarHBondContact CD2-O 2.8Å; H587-I600 PolarHBondContact N-O 3.43Å; H587-I600 VanDerWaalsContact O-CG1 3.29Å; H587-I600 WeakPolarHBondContact O-CG1 3.13Å; H587-I600 PolarHBondContact O-N 3.44Å; N589-I600 HydrophobicContact CB-CD1 3.81Å; N589-I600 HydrophobicContact CB-CG1 4.01Å; N589-I600 HydrophobicContact CB-CG2 4.1Å; S598-I600 PolarHBondContact O-N 2.95Å; I600-I602 PolarHBondContact O-N 3.49Å
601D89.6Confident80.3Confident36 Ų3665.3 Ų65.319%0.19334%0.342CS..EExtended strand (participates in β ladder)trans-60.5132.2178.1172.775000111.4Y586 N603 N620 L621 G623Y586-D601 HydrophobicContact CD1-CB 4.26Å; Y586-D601 HydrophobicContact CE1-CB 4.04Å; D601-N603 PolarHBondContact O-N 3.36Å; D601-N620 PolarHBondContact OD2-ND2 2.84Å; D601-L621 VanDerWaalsContact OD2-O 3.12Å; D601-G623 PolarHBondContact OD1-N 3.5Å
602I86.6Confident80.5Confident25 Ų2559.3 Ų59.313%0.12831%0.311CS..  trans-77.4118.4174.3-62169.2000107.6G585 H587 I600 E604G585-I602 WeakPolarHBondContact O-CB 3.4Å; G585-I602 WeakPolarHBondContact O-CG1 3.47Å; G585-I602 PolarHBondContact O-N 3.44Å; H587-I602 HydrophobicContact CB-CD1 4.04Å; H587-I602 HydrophobicContact CB-CG1 3.76Å; H587-I602 VanDerWaalsContact CD2-CG1 3.44Å; H587-I602 WeakPolarHBondContact CD2-CG1 2.98Å; I600-I602 PolarHBondContact O-N 3.49Å; I602-E604 HydrophobicContact CG2-CG 4.19Å; I602-E604 PolarHBondContact O-N 3.05Å
603N86.3Confident80.6Confident42 Ų4253.8 Ų53.823%0.22529%0.288CS..  trans-75.590.1174.2-166.1-56.6000111.9D601 C605 K606 T607 N620D601-N603 PolarHBondContact O-N 3.36Å; N603-C605 PolarHBondContact O-N 3.46Å; N603-C605 WeakPolarHBondContact OD1-CB 3.28Å; N603-C605 PolarHBondContact OD1-N 2.91Å; N603-K606 HydrophobicContact CB-CB 4.25Å; N603-K606 HydrophobicContact CB-CD 4.37Å; N603-K606 PolarHBondContact O-N 3.23Å; N603-K606 WeakPolarHBondContact OD1-CB 3.12Å; N603-K606 WeakPolarHBondContact OD1-CG 3.44Å; N603-K606 PolarHBondContact OD1-N 2.02Å; N603-T607 WeakPolarHBondContact O-CB 3.13Å; N603-T607 PolarHBondContact O-N 2.65Å; N603-T607 PolarHBondContact O-OG1 3.02Å; N603-N620 WeakPolarHBondContact CA-OD1 3.07Å; N603-N620 PolarHBondContact ND2-ND2 3.49Å
604E87.5Confident80.4Confident15 Ų1560.3 Ų60.37%0.0732%0.321CS..Hα-helixtrans-69.5-23.4-173.8-54.69116000112.5I602 G608 R609 N610 N620 G624 Y625I602-E604 HydrophobicContact CG2-CG 4.19Å; I602-E604 PolarHBondContact O-N 3.05Å; E604-G608 PolarHBondContact O-N 2.63Å; E604-G608 VanDerWaalsContact O-N 3.12Å; E604-R609 HydrophobicContact CB-CB 4.26Å; E604-R609 HydrophobicContact CG-CB 4.42Å; E604-R609 PolarHBondContact O-N 2.91Å; E604-R609 VanDerWaalsContact O-N 3.13Å; E604-N610 HydrophobicContact CB-CB 4.22Å; E604-N610 PolarHBondContact O-N 2.69Å; E604-N610 PolarHBondContact O-ND2 3.12Å; E604-N620 PolarHBondContact N-OD1 2.03Å; E604-N620 PolarHBondContact OE2-OD1 3.34Å; E604-G624 VanDerWaalsContact OE1-CA 3.3Å; E604-G624 WeakPolarHBondContact OE1-CA 3.01Å; E604-Y625 HydrophobicContact CB-CD1 3.55Å; E604-Y625 HydrophobicContact CB-CE1 4.08Å; E604-Y625 HydrophobicContact CB-CG 4.13Å; E604-Y625 HydrophobicContact CG-CD1 3.68Å; E604-Y625 HydrophobicContact CG-CE1 4.12Å; E604-Y625 WeakPolarHBondContact OE2-CD1 3.11Å
605C84.7Confident80.4Confident38 Ų3859.5 Ų59.526%0.25731%0.313SS..Hα-helixtrans-67.2-38.9174.2-54.30000112.4N603 N610 C618 F619 N620N603-C605 PolarHBondContact O-N 3.46Å; N603-C605 WeakPolarHBondContact OD1-CB 3.28Å; N603-C605 PolarHBondContact OD1-N 2.91Å; C605-N610 WeakPolarHBondContact CA-ND2 3.37Å; C605-C618 WeakPolarHBondContact CA-SG 3.44Å; C605-C618 HydrophobicContact CB-CB 3.76Å; C605-C618 WeakPolarHBondContact CB-SG 3.08Å; C605-C618 WeakPolarHBondContact SG-CB 3.41Å; C605-C618 CovalentContact SG-SG 2.04Å; C605-C618 PolarHBondContact SG-SG 3.38Å; C605-F619 VanDerWaalsContact SG-C 3.57Å; C605-N620 PolarHBondContact SG-N 3.33Å; C605-N620 VanDerWaalsContact SG-N 3.45Å
606K83.4Confident80.2Confident181 Ų18157 Ų5779%0.78730%0.301SS*.Hα-helixtrans-82.9-36.4177.1-73179.1-177.4174.50112.7N603 G608N603-K606 HydrophobicContact CB-CB 4.25Å; N603-K606 HydrophobicContact CB-CD 4.37Å; N603-K606 PolarHBondContact O-N 3.23Å; N603-K606 WeakPolarHBondContact OD1-CB 3.12Å; N603-K606 WeakPolarHBondContact OD1-CG 3.44Å; N603-K606 PolarHBondContact OD1-N 2.02Å; K606-G608 PolarHBondContact O-N 3.44Å
607T79.8Confident80.4Confident79 Ų7960.2 Ų60.249%0.48532%0.32SS..Hα-helixtrans-77.7-10.9-176.8-400000112.2N603 R609N603-T607 WeakPolarHBondContact O-CB 3.13Å; N603-T607 PolarHBondContact O-N 2.65Å; N603-T607 PolarHBondContact O-OG1 3.02Å; T607-R609 HydrophobicContact CG2-CG 4.22Å; T607-R609 PolarHBondContact O-N 3.31Å
608G74.1Confident80.4Confident60 Ų6055.1 Ų55.162%0.61930%0.299SS*.THydrogen-bonded Turntrans71.217.6-177.700000113.6E604 K606E604-G608 PolarHBondContact O-N 2.63Å; E604-G608 VanDerWaalsContact O-N 3.12Å; K606-G608 PolarHBondContact O-N 3.44Å
609R73Confident80.4Confident174 Ų17459.5 Ų59.566%0.65732%0.318SS*.  trans-92.35.2177-70.2-173.2179.4-175.6-0.1113.2E604 T607E604-R609 HydrophobicContact CB-CB 4.26Å; E604-R609 HydrophobicContact CG-CB 4.42Å; E604-R609 PolarHBondContact O-N 2.91Å; E604-R609 VanDerWaalsContact O-N 3.13Å; T607-R609 HydrophobicContact CG2-CG 4.22Å; T607-R609 PolarHBondContact O-N 3.31Å
610N76.7Confident80.2Confident45 Ų4561.8 Ų61.824%0.24133%0.33CS..  trans-75.9153.5176.365.779.8000111.6E604 C605 C612 C618 Y625E604-N610 HydrophobicContact CB-CB 4.22Å; E604-N610 PolarHBondContact O-N 2.69Å; E604-N610 PolarHBondContact O-ND2 3.12Å; C605-N610 WeakPolarHBondContact CA-ND2 3.37Å; N610-C612 PolarHBondContact OD1-N 3.01Å; N610-C618 VanDerWaalsContact CB-SG 3.56Å; N610-Y625 HydrophobicContact CB-CD1 4.45Å; N610-Y625 HydrophobicContact CB-CD2 3.72Å; N610-Y625 HydrophobicContact CB-CE1 4.43Å; N610-Y625 HydrophobicContact CB-CE2 3.7Å; N610-Y625 HydrophobicContact CB-CG 4.11Å
611T77.9Confident80.1Confident21 Ų2161.6 Ų61.613%0.12933%0.329CS..  trans-101.815.7175.660.90000112.5Y625 C639 I640 G667 V669T611-Y625 VanDerWaalsContact CB-OH 3.31Å; T611-Y625 WeakPolarHBondContact CB-OH 3.31Å; T611-Y625 VanDerWaalsContact CG2-OH 3.29Å; T611-Y625 WeakPolarHBondContact CG2-OH 3.32Å; T611-Y625 VanDerWaalsContact N-CE2 3.35Å; T611-Y625 VanDerWaalsContact N-CZ 3.34Å; T611-Y625 PolarHBondContact N-OH 2.71Å; T611-Y625 PolarHBondContact OG1-OH 2.69Å; T611-C639 CarbonylContact O-C 3.6Å; T611-C639 WeakPolarHBondContact O-CA 3.45Å; T611-I640 VanDerWaalsContact CB-O 3.23Å; T611-I640 WeakPolarHBondContact CB-O 3.35Å; T611-I640 WeakPolarHBondContact CG2-O 3.45Å; T611-I640 PolarHBondContact O-N 3.38Å; T611-G667 PolarHBondContact OG1-O 2.8Å; T611-V669 HydrophobicContact CG2-CB 4.44Å; T611-V669 HydrophobicContact CG2-CG2 3.89Å
612C75.3Confident79.7Confident10 Ų1066.2 Ų66.27%0.06835%0.35CS..BIsolated β-bridgetrans-66.2136.5-178.4-60.80000111.5N610 T616 C618 C627N610-C612 PolarHBondContact OD1-N 3.01Å; C612-T616 WeakPolarHBondContact CB-OG1 3.48Å; C612-C618 HydrophobicContact CB-CB 4.33Å; C612-C618 VanDerWaalsContact SG-CB 3.53Å; C612-C627 WeakPolarHBondContact CA-SG 3.37Å; C612-C627 HydrophobicContact CB-CB 3.81Å; C612-C627 WeakPolarHBondContact CB-SG 3.25Å; C612-C627 WeakPolarHBondContact SG-CB 3.26Å; C612-C627 CovalentContact SG-SG 2.03Å; C612-C627 PolarHBondContact SG-SG 3.36Å
613A72.3Confident79.5Confident6 Ų666.4 Ų66.45%0.0536%0.358CS..  trans-70.3156.2171.500000112.4D615 T616 D638 I640A613-D615 WeakPolarHBondContact CB-OD1 3.02Å; A613-D615 PolarHBondContact O-N 2.64Å; A613-T616 PolarHBondContact N-OG1 2.75Å; A613-T616 VanDerWaalsContact N-OG1 3.16Å; A613-T616 PolarHBondContact O-N 2.96Å; A613-T616 PolarHBondContact O-OG1 2.73Å; A613-D638 HydrophobicContact CB-CB 4.11Å; A613-D638 WeakPolarHBondContact CB-O 3.33Å; A613-D638 PolarHBondContact N-O 2.92Å; A613-I640 HydrophobicContact CB-CG1 4.5Å
614N70.3Confident79.3Confident166 Ų16664.9 Ų64.989%0.88835%0.352SS*.THydrogen-bonded Turntrans-58.4-22.5-177.6-75.1-14.5000114.4
615D72.2Confident79.1Confident64 Ų6465.7 Ų65.734%0.34236%0.355SS..THydrogen-bonded Turntrans-89.9-0177.368.1-39000113.4A613 C635 T636A613-D615 WeakPolarHBondContact CB-OD1 3.02Å; A613-D615 PolarHBondContact O-N 2.64Å; D615-C635 VanDerWaalsContact OD2-CA 3.29Å; D615-C635 WeakPolarHBondContact OD2-CA 3.39Å; D615-T636 PolarHBondContact OD2-N 3.45Å; D615-T636 PolarHBondContact OD2-OG1 3.34Å
616T75.3Confident78.9Confident14 Ų1465.1 Ų65.19%0.08635%0.349CS..SBendtrans-116146.9178.2640000111C612 A613 C635C612-T616 WeakPolarHBondContact CB-OG1 3.48Å; A613-T616 PolarHBondContact N-OG1 2.75Å; A613-T616 VanDerWaalsContact N-OG1 3.16Å; A613-T616 PolarHBondContact O-N 2.96Å; A613-T616 PolarHBondContact O-OG1 2.73Å; T616-C635 HydrophobicContact CG2-CB 4.5Å
617V80.6Confident78.7Confident66 Ų6656.9 Ų56.940%0.431%0.314SS..EExtended strand (participates in β ladder)trans-97.2126175.81770000108.3F619 R628 P630V617-F619 HydrophobicContact CB-CE2 3.92Å; V617-F619 HydrophobicContact CG1-CD2 4.27Å; V617-F619 HydrophobicContact CG1-CE2 3.7Å; V617-F619 HydrophobicContact CG1-CZ 4.05Å; V617-F619 VanDerWaalsContact O-CD2 3.32Å; V617-F619 WeakPolarHBondContact O-CD2 3.44Å; V617-R628 PolarHBondContact N-O 3.48Å; V617-R628 PolarHBondContact O-N 2.8Å; V617-P630 HydrophobicContact CG2-CB 4.28Å; V617-P630 HydrophobicContact CG2-CG 3.86Å
618C83.3Confident78.5Confident31 Ų3159.7 Ų59.721%0.20932%0.316CS..EExtended strand (participates in β ladder)trans-74.6127.1174.4-172.10000110.5C605 N610 C612 D626C605-C618 WeakPolarHBondContact CA-SG 3.44Å; C605-C618 HydrophobicContact CB-CB 3.76Å; C605-C618 WeakPolarHBondContact CB-SG 3.08Å; C605-C618 WeakPolarHBondContact SG-CB 3.41Å; C605-C618 CovalentContact SG-SG 2.04Å; C605-C618 PolarHBondContact SG-SG 3.38Å; N610-C618 VanDerWaalsContact CB-SG 3.56Å; C612-C618 HydrophobicContact CB-CB 4.33Å; C612-C618 VanDerWaalsContact SG-CB 3.53Å; C618-D626 CarbonylContact C-O 3.57Å
619F83.8Confident78.4Confident96 Ų9658.8 Ų58.842%0.42130%0.3SS..EExtended strand (participates in β ladder)trans-115.1121172.2-73.1-89.7000108.4C605 V617 L621 Y625 D626 R628C605-F619 VanDerWaalsContact SG-C 3.57Å; V617-F619 HydrophobicContact CB-CE2 3.92Å; V617-F619 HydrophobicContact CG1-CD2 4.27Å; V617-F619 HydrophobicContact CG1-CE2 3.7Å; V617-F619 HydrophobicContact CG1-CZ 4.05Å; V617-F619 VanDerWaalsContact O-CD2 3.32Å; V617-F619 WeakPolarHBondContact O-CD2 3.44Å; F619-L621 PolarHBondContact O-N 2.82Å; F619-Y625 CarbonylContact O-C 3.01Å; F619-Y625 WeakPolarHBondContact O-CA 3.39Å; F619-D626 HydrophobicContact CB-CB 4.28Å; F619-D626 PolarHBondContact N-O 2.78Å; F619-D626 PolarHBondContact O-N 3.5Å; F619-R628 HydrophobicContact CD2-CB 3.8Å; F619-R628 HydrophobicContact CD2-CG 3.89Å; F619-R628 HydrophobicContact CE2-CB 3.7Å; F619-R628 HydrophobicContact CE2-CG 4.22Å
620N84.4Confident78.1Confident54 Ų5454.5 Ų54.529%0.28929%0.294SS..EExtended strand (participates in β ladder)trans-69.2131.8174.8-157.564.4000110.3D601 N603 E604 C605D601-N620 PolarHBondContact OD2-ND2 2.84Å; N603-N620 WeakPolarHBondContact CA-OD1 3.07Å; N603-N620 PolarHBondContact ND2-ND2 3.49Å; E604-N620 PolarHBondContact N-OD1 2.03Å; E604-N620 PolarHBondContact OE2-OD1 3.34Å; C605-N620 PolarHBondContact SG-N 3.33Å; C605-N620 VanDerWaalsContact SG-N 3.45Å
621L84.2Confident77.5Confident71 Ų7159.6 Ų59.637%0.37232%0.316SS..EExtended strand (participates in β ladder)trans-116-178169.5-63.2-176.6000108.8D601 F619 G624 D626 R668D601-L621 VanDerWaalsContact OD2-O 3.12Å; F619-L621 PolarHBondContact O-N 2.82Å; L621-G624 CarbonylContact C-O 3.3Å; L621-G624 VanDerWaalsContact CA-O 3.24Å; L621-G624 WeakPolarHBondContact CA-O 3.12Å; L621-G624 WeakPolarHBondContact CB-O 3.41Å; L621-G624 PolarHBondContact N-O 2.74Å; L621-D626 HydrophobicContact CD1-CB 3.77Å; L621-D626 HydrophobicContact CG-CB 4.06Å; L621-R668 VanDerWaalsContact CD1-NH2 3.33Å
622E83.2Confident76.5Confident133 Ų13362.2 Ų62.262%0.62135%0.347SS*.THydrogen-bonded Turntrans-86.1122.4174.3-145.6180160.600109.1K568 Y586K568-E622 IonicContact NZ-OE1 2.69Å; K568-E622 PolarHBondContact NZ-OE1 2.73Å; Y586-E622 HydrophobicContact CE1-CG 4.22Å; Y586-E622 WeakPolarHBondContact OH-CG 2.98Å
623G81Confident75.8Confident29 Ų2973.2 Ų73.230%0.29939%0.387SS..THydrogen-bonded Turntrans76.620.1-176.600000114Y586 D601Y586-G623 VanDerWaalsContact CZ-N 3.33Å; Y586-G623 WeakPolarHBondContact OH-CA 3.36Å; Y586-G623 PolarHBondContact OH-N 3.32Å; Y586-G623 VanDerWaalsContact OH-N 3.11Å; D601-G623 PolarHBondContact OD1-N 3.5Å
624G83.1Confident75.3Confident10 Ų1080.5 Ų80.510%0.10343%0.425CS..EExtended strand (participates in β ladder)trans159.7-168.7-178.100000114.2E604 L621E604-G624 VanDerWaalsContact OE1-CA 3.3Å; E604-G624 WeakPolarHBondContact OE1-CA 3.01Å; L621-G624 CarbonylContact C-O 3.3Å; L621-G624 VanDerWaalsContact CA-O 3.24Å; L621-G624 WeakPolarHBondContact CA-O 3.12Å; L621-G624 WeakPolarHBondContact CB-O 3.41Å; L621-G624 PolarHBondContact N-O 2.74Å
625Y83.2Confident75.1Confident32 Ų3274.6 Ų74.613%0.12540%0.397CS..EExtended strand (participates in β ladder)trans-136.2158.2-177.161.1-80.3000112.1E604 N610 T611 F619 R668E604-Y625 HydrophobicContact CB-CD1 3.55Å; E604-Y625 HydrophobicContact CB-CE1 4.08Å; E604-Y625 HydrophobicContact CB-CG 4.13Å; E604-Y625 HydrophobicContact CG-CD1 3.68Å; E604-Y625 HydrophobicContact CG-CE1 4.12Å; E604-Y625 WeakPolarHBondContact OE2-CD1 3.11Å; N610-Y625 HydrophobicContact CB-CD1 4.45Å; N610-Y625 HydrophobicContact CB-CD2 3.72Å; N610-Y625 HydrophobicContact CB-CE1 4.43Å; N610-Y625 HydrophobicContact CB-CE2 3.7Å; N610-Y625 HydrophobicContact CB-CG 4.11Å; T611-Y625 VanDerWaalsContact CB-OH 3.31Å; T611-Y625 WeakPolarHBondContact CB-OH 3.31Å; T611-Y625 VanDerWaalsContact CG2-OH 3.29Å; T611-Y625 WeakPolarHBondContact CG2-OH 3.32Å; T611-Y625 VanDerWaalsContact N-CE2 3.35Å; T611-Y625 VanDerWaalsContact N-CZ 3.34Å; T611-Y625 PolarHBondContact N-OH 2.71Å; T611-Y625 PolarHBondContact OG1-OH 2.69Å; F619-Y625 CarbonylContact O-C 3.01Å; F619-Y625 WeakPolarHBondContact O-CA 3.39Å; Y625-R668 PolarHBondContact O-NE 3.07Å; Y625-R668 PolarHBondContact O-NH1 2.99Å; Y625-R668 PolarHBondContact O-NH2 3.47Å
626D80.4Confident74.9Confident25 Ų2575.2 Ų75.213%0.13440%0.403CS..EExtended strand (participates in β ladder)trans-122.2131.6-179.7-159.533.6000110.9C618 F619 L621 R628 R668C618-D626 CarbonylContact C-O 3.57Å; F619-D626 HydrophobicContact CB-CB 4.28Å; F619-D626 PolarHBondContact N-O 2.78Å; F619-D626 PolarHBondContact O-N 3.5Å; L621-D626 HydrophobicContact CD1-CB 3.77Å; L621-D626 HydrophobicContact CG-CB 4.06Å; D626-R628 WeakPolarHBondContact OD2-CG 3.01Å; D626-R628 IonicContact OD2-CZ 3.92Å; D626-R628 IonicContact OD2-NE 2.88Å; D626-R628 PolarHBondContact OD2-NE 2.66Å; D626-R628 IonicContact OD2-NH2 3.04Å; D626-R628 PolarHBondContact OD2-NH2 2.84Å; D626-R668 VanDerWaalsContact CB-NH2 3.31Å; D626-R668 VanDerWaalsContact CG-NH2 3.32Å; D626-R668 IonicContact OD1-CZ 2.8Å; D626-R668 IonicContact OD1-NE 2.96Å; D626-R668 IonicContact OD1-NH2 2.77Å; D626-R668 PolarHBondContact OD1-NH2 2.79Å
627C78.6Confident74.5Confident9 Ų974.9 Ų74.96%0.06140%0.402CS..EExtended strand (participates in β ladder)trans-102.4107.9178.5-51.50000108.8C612 G667C612-C627 WeakPolarHBondContact CA-SG 3.37Å; C612-C627 HydrophobicContact CB-CB 3.81Å; C612-C627 WeakPolarHBondContact CB-SG 3.25Å; C612-C627 WeakPolarHBondContact SG-CB 3.26Å; C612-C627 CovalentContact SG-SG 2.03Å; C612-C627 PolarHBondContact SG-SG 3.36Å; C627-G667 PolarHBondContact SG-O 2.81Å
628R75Confident74.2Confident137 Ų13772.3 Ų72.352%0.51739%0.386SS..EExtended strand (participates in β ladder)trans-111.4147.6-178.7-60.5-174-178.7179.33.9112.3V617 F619 D626 P630V617-R628 PolarHBondContact N-O 3.48Å; V617-R628 PolarHBondContact O-N 2.8Å; F619-R628 HydrophobicContact CD2-CB 3.8Å; F619-R628 HydrophobicContact CD2-CG 3.89Å; F619-R628 HydrophobicContact CE2-CB 3.7Å; F619-R628 HydrophobicContact CE2-CG 4.22Å; D626-R628 WeakPolarHBondContact OD2-CG 3.01Å; D626-R628 IonicContact OD2-CZ 3.92Å; D626-R628 IonicContact OD2-NE 2.88Å; D626-R628 PolarHBondContact OD2-NE 2.66Å; D626-R628 IonicContact OD2-NH2 3.04Å; D626-R628 PolarHBondContact OD2-NH2 2.84Å; R628-P630 WeakPolarHBondContact O-CD 3.43Å
629C73.1Confident74Confident42 Ų4270.8 Ų70.828%0.28438%0.376SS..  trans-87.4122178.7-52.10000110.9H631 C635C629-H631 VanDerWaalsContact C-N 3.26Å; C629-H631 PolarHBondContact O-N 2.87Å; C629-C635 HydrophobicContact CB-CB 3.48Å; C629-C635 VanDerWaalsContact CB-CB 3.48Å; C629-C635 WeakPolarHBondContact CB-SG 3.27Å; C629-C635 WeakPolarHBondContact SG-CB 3.08Å; C629-C635 CovalentContact SG-SG 1.97Å; C629-C635 PolarHBondContact SG-SG 3.3Å
630P66.5Low73.6Confident83 Ų8368.5 Ų68.554%0.53937%0.368SS..SBendtrans-70.6-20.5-179.125.2-31.9000113.3V617 R628V617-P630 HydrophobicContact CG2-CB 4.28Å; V617-P630 HydrophobicContact CG2-CG 3.86Å; R628-P630 WeakPolarHBondContact O-CD 3.43Å
631H63.2Low73Confident153 Ų15367.6 Ų67.671%0.70836%0.362SS*.SBendtrans-125.898.3-179.9-67.671.4000109.9C629 R633 N634C629-H631 VanDerWaalsContact C-N 3.26Å; C629-H631 PolarHBondContact O-N 2.87Å; H631-R633 PolarHBondContact O-N 3.39Å; H631-N634 PolarHBondContact O-N 2.05Å
632G58.9Low72.4Confident75 Ų7568.7 Ų68.777%0.77337%0.368SS*.THydrogen-bonded Turntrans-65.235.6-162.300000119.3
633R59.8Low71.8Confident242 Ų24270.1 Ų70.191%0.91338%0.38SS*.THydrogen-bonded Turntrans-147.2-4163.9-68.8-165.2-172.7-168.60.5116.5H631H631-R633 PolarHBondContact O-N 3.39Å
634N61.6Low71.6Confident158 Ų15873.8 Ų73.885%0.84539%0.387SS*.SBendtrans-133.928.5-168.8-10926.6000115.1H631H631-N634 PolarHBondContact O-N 2.05Å
635C64.9Low71.4Confident43 Ų4377.3 Ų77.329%0.29141%0.407SS..  trans-103.6146.6166.462.60000109.2D615 T616 C629 G637D615-C635 VanDerWaalsContact OD2-CA 3.29Å; D615-C635 WeakPolarHBondContact OD2-CA 3.39Å; T616-C635 HydrophobicContact CG2-CB 4.5Å; C629-C635 HydrophobicContact CB-CB 3.48Å; C629-C635 VanDerWaalsContact CB-CB 3.48Å; C629-C635 WeakPolarHBondContact CB-SG 3.27Å; C629-C635 WeakPolarHBondContact SG-CB 3.08Å; C629-C635 CovalentContact SG-SG 1.97Å; C629-C635 PolarHBondContact SG-SG 3.3Å; C635-G637 VanDerWaalsContact C-N 3.35Å
636T68Low71.3Confident77 Ų7777.5 Ų77.547%0.47241%0.408SS..  trans-81.6-21.817851.50000111.7D615 D638 N648D615-T636 PolarHBondContact OD2-N 3.45Å; D615-T636 PolarHBondContact OD2-OG1 3.34Å; T636-D638 WeakPolarHBondContact CB-OD1 3.49Å; T636-D638 VanDerWaalsContact CB-OD2 3.25Å; T636-D638 WeakPolarHBondContact CB-OD2 3.24Å; T636-D638 PolarHBondContact OG1-OD1 3.36Å; T636-D638 PolarHBondContact OG1-OD2 2.69Å; T636-N648 VanDerWaalsContact O-CB 3.27Å; T636-N648 WeakPolarHBondContact O-CB 3.09Å
637G68.1Low71.2Confident7 Ų781.6 Ų81.67%0.07243%0.426CS..  trans71.525.3-176.600000112.1C635 N648 G667C635-G637 VanDerWaalsContact C-N 3.35Å; G637-N648 WeakPolarHBondContact O-CB 3.42Å; G637-G667 PolarHBondContact O-N 2.71Å
638D74.1Confident71.1Confident11 Ų1184.7 Ų84.76%0.05944%0.443CS..  trans-73.6154.1-175.1-63.6-11.5000111.3A613 T636 V645 K646 H647 N648A613-D638 HydrophobicContact CB-CB 4.11Å; A613-D638 WeakPolarHBondContact CB-O 3.33Å; A613-D638 PolarHBondContact N-O 2.92Å; T636-D638 WeakPolarHBondContact CB-OD1 3.49Å; T636-D638 VanDerWaalsContact CB-OD2 3.25Å; T636-D638 WeakPolarHBondContact CB-OD2 3.24Å; T636-D638 PolarHBondContact OG1-OD1 3.36Å; T636-D638 PolarHBondContact OG1-OD2 2.69Å; D638-V645 HydrophobicContact CB-CG1 3.66Å; D638-K646 CarbonylContact C-O 3.56Å; D638-K646 WeakPolarHBondContact CA-O 3.19Å; D638-K646 VanDerWaalsContact CB-O 3.28Å; D638-K646 WeakPolarHBondContact CB-O 3.41Å; D638-H647 VanDerWaalsContact CG-ND1 3.3Å; D638-H647 WeakPolarHBondContact OD1-CA 3.17Å; D638-H647 IonicContact OD1-CG 2.78Å; D638-H647 IonicContact OD1-ND1 3.62Å; D638-H647 PolarHBondContact OD1-ND1 3.16Å; D638-H647 IonicContact OD2-CE1 2.71Å; D638-H647 PolarHBondContact OD2-CE1 2.69Å; D638-H647 IonicContact OD2-ND1 3.68Å; D638-H647 PolarHBondContact OD2-ND1 2.88Å; D638-N648 PolarHBondContact OD1-N 3.23Å; D638-N648 VanDerWaalsContact OD1-N 3.17Å
639C77.9Confident71.1Confident0 Ų080.8 Ų80.80%045%0.445CS..EExtended strand (participates in β ladder)trans-109.1141.8177.7-53.20000109.6T611 K646 C664 G667 R668 V669T611-C639 CarbonylContact O-C 3.6Å; T611-C639 WeakPolarHBondContact O-CA 3.45Å; C639-K646 PolarHBondContact N-O 2.72Å; C639-K646 PolarHBondContact O-N 3.48Å; C639-C664 HydrophobicContact CB-CB 3.75Å; C639-C664 WeakPolarHBondContact CB-SG 3.06Å; C639-C664 PolarHBondContact N-SG 2.94Å; C639-C664 WeakPolarHBondContact SG-CA 3.33Å; C639-C664 WeakPolarHBondContact SG-CB 3.25Å; C639-C664 CovalentContact SG-SG 2.03Å; C639-C664 PolarHBondContact SG-SG 2.71Å; C639-G667 WeakPolarHBondContact SG-CA 3.47Å; C639-R668 PolarHBondContact SG-N 2.72Å; C639-R668 VanDerWaalsContact SG-N 3.36Å; C639-R668 PolarHBondContact SG-O 3.44Å; C639-R668 VanDerWaalsContact SG-O 3.34Å; C639-V669 HydrophobicContact CB-CG2 3.64Å
640I75.7Confident71.4Confident47 Ų4782.1 Ų82.124%0.24145%0.447CS..EExtended strand (participates in β ladder)trans-97.7118.4170.5-59.5178.3000108.2T611 A613T611-I640 VanDerWaalsContact CB-O 3.23Å; T611-I640 WeakPolarHBondContact CB-O 3.35Å; T611-I640 WeakPolarHBondContact CG2-O 3.45Å; T611-I640 PolarHBondContact O-N 3.38Å; A613-I640 HydrophobicContact CB-CG1 4.5Å
641H73.4Confident72.1Confident36 Ų3683.7 Ų83.717%0.16745%0.45CS..EExtended strand (participates in β ladder)trans-133.3127.1175.6-169.5-79.6000109.4N643 K644 W652 L654 V669H641-N643 VanDerWaalsContact C-N 3.31Å; H641-N643 PolarHBondContact O-N 2.85Å; H641-K644 PolarHBondContact N-O 3.24Å; H641-K644 PolarHBondContact O-N 3.23Å; H641-W652 HydrophobicContact CB-CZ2 3.87Å; H641-W652 AromaticContact ND1-NE1 3.98Å; H641-L654 WeakPolarHBondContact CE1-CD2 3.23Å; H641-V669 HydrophobicContact CB-CG2 4.09Å
642D71.3Confident73.1Confident93 Ų9377.5 Ų77.550%0.49742%0.42SS..THydrogen-bonded Turntrans48.845.7-174.8-62.7-40.4000114.2K644D642-K644 PolarHBondContact O-N 2.81Å
643N70.8Confident74.1Confident164 Ų16477.4 Ų77.488%0.87740%0.404SS*.THydrogen-bonded Turntrans59.413.8-175.9-61.8-37.9000115.3H641H641-N643 VanDerWaalsContact C-N 3.31Å; H641-N643 PolarHBondContact O-N 2.85Å
644K76.5Confident74.9Confident105 Ų10567.3 Ų67.346%0.45737%0.368SS..EExtended strand (participates in β ladder)trans-108.2137.2173.5-62.8172-171.5165.20109.4H641 D642 D655H641-K644 PolarHBondContact N-O 3.24Å; H641-K644 PolarHBondContact O-N 3.23Å; D642-K644 PolarHBondContact O-N 2.81Å; K644-D655 IonicContact NZ-OD2 3.76Å; K644-D655 PolarHBondContact NZ-OD2 3.49Å
645V77.4Confident75.3Confident85 Ų8565.1 Ų65.152%0.51536%0.356SS..EExtended strand (participates in β ladder)trans-80128.1172.8-1760000108.8D638D638-V645 HydrophobicContact CB-CG1 3.66Å
646K81.3Confident75.3Confident36 Ų3670.5 Ų70.516%0.15738%0.382CS..EExtended strand (participates in β ladder)trans-117.3127.5178.2-62.9-66.8-172.71710109D638 C639 Q650 W652 C664D638-K646 CarbonylContact C-O 3.56Å; D638-K646 WeakPolarHBondContact CA-O 3.19Å; D638-K646 VanDerWaalsContact CB-O 3.28Å; D638-K646 WeakPolarHBondContact CB-O 3.41Å; C639-K646 PolarHBondContact N-O 2.72Å; C639-K646 PolarHBondContact O-N 3.48Å; K646-Q650 VanDerWaalsContact CA-OE1 3.3Å; K646-W652 HydrophobicContact CB-CE3 3.95Å; K646-W652 HydrophobicContact CB-CH2 3.69Å; K646-W652 HydrophobicContact CB-CZ2 4.31Å; K646-W652 HydrophobicContact CB-CZ3 3.47Å; K646-W652 VanDerWaalsContact CB-CZ3 3.47Å; K646-W652 HydrophobicContact CD-CD2 3.77Å; K646-W652 HydrophobicContact CD-CE3 3.78Å; K646-W652 HydrophobicContact CD-CG 4.18Å; K646-W652 HydrophobicContact CD-CZ3 4.19Å; K646-W652 HydrophobicContact CG-CD2 3.93Å; K646-W652 HydrophobicContact CG-CE3 3.82Å; K646-W652 HydrophobicContact CG-CH2 3.75Å; K646-W652 HydrophobicContact CG-CZ2 3.84Å; K646-W652 HydrophobicContact CG-CZ3 3.72Å; K646-C664 HydrophobicContact CB-CB 4.41Å
647H79.2Confident75.4Confident110 Ų11070 Ų7051%0.50938%0.377SS..  trans-71.4151.6-174.2-65.6-57.8000113D638 G649 Q650 C664D638-H647 VanDerWaalsContact CG-ND1 3.3Å; D638-H647 WeakPolarHBondContact OD1-CA 3.17Å; D638-H647 IonicContact OD1-CG 2.78Å; D638-H647 IonicContact OD1-ND1 3.62Å; D638-H647 PolarHBondContact OD1-ND1 3.16Å; D638-H647 IonicContact OD2-CE1 2.71Å; D638-H647 PolarHBondContact OD2-CE1 2.69Å; D638-H647 IonicContact OD2-ND1 3.68Å; D638-H647 PolarHBondContact OD2-ND1 2.88Å; H647-G649 PolarHBondContact O-N 2.79Å; H647-Q650 HydrophobicContact CB-CB 4.3Å; H647-Q650 WeakPolarHBondContact O-CA 3.5Å; H647-Q650 WeakPolarHBondContact O-CB 3.28Å; H647-Q650 PolarHBondContact O-N 3.16Å; H647-C664 WeakPolarHBondContact O-CB 2.94Å
648N75.9Confident75.4Confident75 Ų7576.6 Ų76.640%0.40140%0.399SS..THydrogen-bonded Turntrans-56.8128.8174.5-168.114.6000111.8T636 G637 D638 Q650 T666T636-N648 VanDerWaalsContact O-CB 3.27Å; T636-N648 WeakPolarHBondContact O-CB 3.09Å; G637-N648 WeakPolarHBondContact O-CB 3.42Å; D638-N648 PolarHBondContact OD1-N 3.23Å; D638-N648 VanDerWaalsContact OD1-N 3.17Å; N648-Q650 PolarHBondContact O-N 2.67Å; N648-T666 PolarHBondContact OD1-N 2.98Å
649G74.9Confident75.4Confident55 Ų5576.6 Ų76.657%0.56740%0.4SS*.THydrogen-bonded Turntrans79.8-4-172.700000114.6H647 C664H647-G649 PolarHBondContact O-N 2.79Å; G649-C664 WeakPolarHBondContact CA-O 3.38Å; G649-C664 PolarHBondContact N-O 3.31Å
650Q79.8Confident75.4Confident70 Ų7077.4 Ų77.433%0.32741%0.406SS..  trans-69.1133.7175.3-170173.910.300109.7K646 H647 N648 W652 S663 C664K646-Q650 VanDerWaalsContact CA-OE1 3.3Å; H647-Q650 HydrophobicContact CB-CB 4.3Å; H647-Q650 WeakPolarHBondContact O-CA 3.5Å; H647-Q650 WeakPolarHBondContact O-CB 3.28Å; H647-Q650 PolarHBondContact O-N 3.16Å; N648-Q650 PolarHBondContact O-N 2.67Å; Q650-W652 HydrophobicContact CG-CE3 4.38Å; Q650-W652 VanDerWaalsContact O-CZ3 3.22Å; Q650-W652 WeakPolarHBondContact O-CZ3 3.17Å; Q650-S663 WeakPolarHBondContact O-CA 3.24Å; Q650-C664 PolarHBondContact O-N 3.02Å
651I81Confident75.7Confident116 Ų11677 Ų7760%0.59541%0.405SS*.EExtended strand (participates in β ladder)trans-108.4135.4173.4-54.8175.8000107.4V661 C662I651-V661 HydrophobicContact CG2-CG1 3.21Å; I651-C662 CarbonylContact C-O 3.58Å; I651-C662 WeakPolarHBondContact CA-O 3.1Å; I651-C662 WeakPolarHBondContact CG2-O 3.47Å
652W85Confident76.2Confident23 Ų2375.2 Ų75.29%0.08740%0.397CS..EExtended strand (participates in β ladder)trans-142.7158.4173.966.395.7000110.6H641 K646 Q650 C662 C664 V669H641-W652 HydrophobicContact CB-CZ2 3.87Å; H641-W652 AromaticContact ND1-NE1 3.98Å; K646-W652 HydrophobicContact CB-CE3 3.95Å; K646-W652 HydrophobicContact CB-CH2 3.69Å; K646-W652 HydrophobicContact CB-CZ2 4.31Å; K646-W652 HydrophobicContact CB-CZ3 3.47Å; K646-W652 VanDerWaalsContact CB-CZ3 3.47Å; K646-W652 HydrophobicContact CD-CD2 3.77Å; K646-W652 HydrophobicContact CD-CE3 3.78Å; K646-W652 HydrophobicContact CD-CG 4.18Å; K646-W652 HydrophobicContact CD-CZ3 4.19Å; K646-W652 HydrophobicContact CG-CD2 3.93Å; K646-W652 HydrophobicContact CG-CE3 3.82Å; K646-W652 HydrophobicContact CG-CH2 3.75Å; K646-W652 HydrophobicContact CG-CZ2 3.84Å; K646-W652 HydrophobicContact CG-CZ3 3.72Å; Q650-W652 HydrophobicContact CG-CE3 4.38Å; Q650-W652 VanDerWaalsContact O-CZ3 3.22Å; Q650-W652 WeakPolarHBondContact O-CZ3 3.17Å; W652-C662 HydrophobicContact CD2-CB 4.17Å; W652-C662 HydrophobicContact CH2-CB 4.47Å; W652-C662 HydrophobicContact CZ2-CB 3.81Å; W652-C662 PolarHBondContact N-O 3.36Å; W652-C662 PolarHBondContact O-N 2.66Å; W652-C664 HydrophobicContact CH2-CB 3.8Å; W652-C664 HydrophobicContact CZ3-CB 3.58Å; W652-V669 HydrophobicContact CH2-CB 4.42Å; W652-V669 HydrophobicContact CH2-CG1 3.9Å; W652-V669 HydrophobicContact CH2-CG2 3.96Å; W652-V669 HydrophobicContact CZ2-CB 4.34Å; W652-V669 HydrophobicContact CZ2-CG1 3.5Å; W652-V669 HydrophobicContact CZ2-CG2 3.95Å
653V79.8Confident76.9Confident73 Ų7371.8 Ų71.844%0.44238%0.381SS..EExtended strand (participates in β ladder)trans-91.5140.7171.6179.80000108R658 V661V653-R658 HydrophobicContact CG1-CB 4.26Å; V653-R658 WeakPolarHBondContact CG1-O 3.11Å; V653-V661 HydrophobicContact CG2-CG2 4.48Å
654L75.6Confident77.4Confident29 Ų2964 Ų6415%0.15234%0.339CS..  trans-65.7137.5175.8-90.1149.8000111H641 N656 D657 S660 C662 C671H641-L654 WeakPolarHBondContact CE1-CD2 3.23Å; L654-N656 VanDerWaalsContact C-N 3.29Å; L654-N656 PolarHBondContact O-N 2.73Å; L654-D657 HydrophobicContact CB-CB 4.45Å; L654-D657 VanDerWaalsContact CB-O 3.27Å; L654-D657 WeakPolarHBondContact CB-O 3.43Å; L654-D657 CarbonylContact O-C 3.4Å; L654-S660 PolarHBondContact N-O 3.37Å; L654-C662 WeakPolarHBondContact CD1-SG 3.33Å; L654-C662 WeakPolarHBondContact CG-SG 3.23Å; L654-C671 HydrophobicContact CD1-CB 4.34Å
655D69.9Low77.6Confident112 Ų11263.8 Ų63.860%0.59934%0.339SS*.SBendtrans-68.3-31.3176.9-71.3-31.3000110.9K644K644-D655 IonicContact NZ-OD2 3.76Å; K644-D655 PolarHBondContact NZ-OD2 3.49Å
656N66.2Low77.3Confident156 Ų15663.6 Ų63.683%0.83434%0.339SS*.SBendtrans-86.6-33.7178.7-78.6-7.9000114.3L654L654-N656 VanDerWaalsContact C-N 3.29Å; L654-N656 PolarHBondContact O-N 2.73Å
657D68.4Low76.8Confident66 Ų6661.9 Ų61.935%0.35333%0.331SS..  trans-130.294.2177.9178.612.3000109.9L654 C659 S660L654-D657 HydrophobicContact CB-CB 4.45Å; L654-D657 VanDerWaalsContact CB-O 3.27Å; L654-D657 WeakPolarHBondContact CB-O 3.43Å; L654-D657 CarbonylContact O-C 3.4Å; D657-C659 PolarHBondContact O-N 3.06Å; D657-C659 PolarHBondContact OD1-N 3.26Å; D657-C659 VanDerWaalsContact OD1-N 3.11Å; D657-S660 PolarHBondContact O-N 3.02Å; D657-S660 VanDerWaalsContact O-N 3.09Å; D657-S660 WeakPolarHBondContact OD2-CB 3.13Å; D657-S660 PolarHBondContact OD2-OG 2.88Å
658R70.1Confident76.4Confident146 Ų14660.4 Ų60.455%0.55132%0.321SS*.THydrogen-bonded Turntrans-64.6-11.1-175.8-62.9-170.1-65.2-160.5-1113.9V653 F686 C687V653-R658 HydrophobicContact CG1-CB 4.26Å; V653-R658 WeakPolarHBondContact CG1-O 3.11Å; R658-F686 HydrophobicContact CB-CD1 4.28Å; R658-F686 HydrophobicContact CB-CE1 4.23Å; R658-C687 VanDerWaalsContact C-SG 3.52Å; R658-C687 PolarHBondContact O-SG 2.87Å; R658-C687 VanDerWaalsContact O-SG 3.4Å
659C72.4Confident76.5Confident11 Ų1158.2 Ų58.27%0.07431%0.311CS..THydrogen-bonded Turntrans-97.6-4.1-178.8-55.80000113.5D657 R673 M674 C687D657-C659 PolarHBondContact O-N 3.06Å; D657-C659 PolarHBondContact OD1-N 3.26Å; D657-C659 VanDerWaalsContact OD1-N 3.11Å; C659-R673 CarbonylContact O-C 3.55Å; C659-R673 WeakPolarHBondContact O-CA 3.44Å; C659-M674 PolarHBondContact O-N 2.79Å; C659-C687 WeakPolarHBondContact CA-SG 3.44Å; C659-C687 HydrophobicContact CB-CB 3.53Å; C659-C687 WeakPolarHBondContact CB-SG 3.44Å; C659-C687 PolarHBondContact N-SG 2.75Å; C659-C687 VanDerWaalsContact N-SG 3.38Å; C659-C687 WeakPolarHBondContact SG-CA 3.23Å; C659-C687 WeakPolarHBondContact SG-CB 3.44Å; C659-C687 CovalentContact SG-SG 2.05Å; C659-C687 PolarHBondContact SG-SG 3.47Å
660S77.9Confident76.4Confident18 Ų1860.6 Ų60.613%0.12631%0.308CS..EExtended strand (participates in β ladder)trans-102.2119173.8-71.60000110.1L654 D657 R672L654-S660 PolarHBondContact N-O 3.37Å; D657-S660 PolarHBondContact O-N 3.02Å; D657-S660 VanDerWaalsContact O-N 3.09Å; D657-S660 WeakPolarHBondContact OD2-CB 3.13Å; D657-S660 PolarHBondContact OD2-OG 2.88Å; S660-R672 CarbonylContact C-O 3.59Å; S660-R672 WeakPolarHBondContact CA-O 3.48Å
661V82.9Confident76.4Confident37 Ų3760.3 Ų60.322%0.22431%0.313CS..EExtended strand (participates in β ladder)trans-95.2117.2174.81790000107.8I651 V653 C671 R672 M674I651-V661 HydrophobicContact CG2-CG1 3.21Å; V653-V661 HydrophobicContact CG2-CG2 4.48Å; V661-C671 WeakPolarHBondContact O-CA 3.48Å; V661-R672 PolarHBondContact N-O 2.88Å; V661-R672 PolarHBondContact O-N 3.14Å; V661-M674 HydrophobicContact CG2-CB 3.98Å
662C83.9Confident76.2Confident0 Ų063.4 Ų63.40%032%0.317CS..EExtended strand (participates in β ladder)trans-100145.2175.3-57.10000110.9I651 W652 L654 V669 M670 C671I651-C662 CarbonylContact C-O 3.58Å; I651-C662 WeakPolarHBondContact CA-O 3.1Å; I651-C662 WeakPolarHBondContact CG2-O 3.47Å; W652-C662 HydrophobicContact CD2-CB 4.17Å; W652-C662 HydrophobicContact CH2-CB 4.47Å; W652-C662 HydrophobicContact CZ2-CB 3.81Å; W652-C662 PolarHBondContact N-O 3.36Å; W652-C662 PolarHBondContact O-N 2.66Å; L654-C662 WeakPolarHBondContact CD1-SG 3.33Å; L654-C662 WeakPolarHBondContact CG-SG 3.23Å; C662-V669 HydrophobicContact CB-CG1 3.92Å; C662-M670 CarbonylContact C-O 3.58Å; C662-M670 VanDerWaalsContact CA-O 3.22Å; C662-M670 WeakPolarHBondContact CA-O 3.47Å; C662-C671 HydrophobicContact CB-CB 4.13Å; C662-C671 WeakPolarHBondContact CB-SG 3.46Å; C662-C671 WeakPolarHBondContact SG-CB 3.34Å; C662-C671 CovalentContact SG-SG 2.03Å; C662-C671 PolarHBondContact SG-SG 2.65Å
663S85.7Confident75.6Confident21 Ų2171.5 Ų71.515%0.14735%0.348CS..EExtended strand (participates in β ladder)trans-130.1142.7172.265.80000109.9Q650 Q665 M670Q650-S663 WeakPolarHBondContact O-CA 3.24Å; S663-Q665 PolarHBondContact OG-NE2 3.45Å; S663-M670 PolarHBondContact N-O 2.84Å; S663-M670 PolarHBondContact O-N 3.4Å
664C82.3Confident75.3Confident0 Ų070.5 Ų70.50%034%0.339CS..EExtended strand (participates in β ladder)trans-87.9117.5170.4177.70000108C639 K646 H647 G649 Q650 W652 R668C639-C664 HydrophobicContact CB-CB 3.75Å; C639-C664 WeakPolarHBondContact CB-SG 3.06Å; C639-C664 PolarHBondContact N-SG 2.94Å; C639-C664 WeakPolarHBondContact SG-CA 3.33Å; C639-C664 WeakPolarHBondContact SG-CB 3.25Å; C639-C664 CovalentContact SG-SG 2.03Å; C639-C664 PolarHBondContact SG-SG 2.71Å; K646-C664 HydrophobicContact CB-CB 4.41Å; H647-C664 WeakPolarHBondContact O-CB 2.94Å; G649-C664 WeakPolarHBondContact CA-O 3.38Å; G649-C664 PolarHBondContact N-O 3.31Å; Q650-C664 PolarHBondContact O-N 3.02Å; W652-C664 HydrophobicContact CH2-CB 3.8Å; W652-C664 HydrophobicContact CZ3-CB 3.58Å; C664-R668 CarbonylContact C-O 3.27Å; C664-R668 WeakPolarHBondContact CA-O 3.32Å
665Q79.1Confident75.2Confident100 Ų10075 Ų7547%0.46737%0.367SS..EExtended strand (participates in β ladder)trans-121.3104173.8-63.8-173.814.600107.9S663 G667 R668S663-Q665 PolarHBondContact OG-NE2 3.45Å; Q665-G667 PolarHBondContact O-N 2.95Å; Q665-R668 PolarHBondContact N-O 2.79Å; Q665-R668 PolarHBondContact O-N 3.01Å
666T72.6Confident75.3Confident82 Ų8271.2 Ų71.250%0.50335%0.349SS..THydrogen-bonded Turntrans49.553.5175.252.40000112.9N648 R668N648-T666 PolarHBondContact OD1-N 2.98Å; T666-R668 VanDerWaalsContact C-N 3.32Å; T666-R668 PolarHBondContact O-N 2.92Å
667G69.3Low75.7Confident0 Ų067.9 Ų67.90%033%0.332CS..THydrogen-bonded Turntrans79.41.2179.400000116.1T611 C627 G637 C639 Q665T611-G667 PolarHBondContact OG1-O 2.8Å; C627-G667 PolarHBondContact SG-O 2.81Å; G637-G667 PolarHBondContact O-N 2.71Å; C639-G667 WeakPolarHBondContact SG-CA 3.47Å; Q665-G667 PolarHBondContact O-N 2.95Å
668R70.6Confident75.9Confident78 Ų7868.2 Ų68.229%0.29434%0.338SS..EExtended strand (participates in β ladder)trans-106.2133.1170.3-58.8-175.6-163.4-153.10.8111.6L621 Y625 D626 C639 C664 Q665 T666L621-R668 VanDerWaalsContact CD1-NH2 3.33Å; Y625-R668 PolarHBondContact O-NE 3.07Å; Y625-R668 PolarHBondContact O-NH1 2.99Å; Y625-R668 PolarHBondContact O-NH2 3.47Å; D626-R668 VanDerWaalsContact CB-NH2 3.31Å; D626-R668 VanDerWaalsContact CG-NH2 3.32Å; D626-R668 IonicContact OD1-CZ 2.8Å; D626-R668 IonicContact OD1-NE 2.96Å; D626-R668 IonicContact OD1-NH2 2.77Å; D626-R668 PolarHBondContact OD1-NH2 2.79Å; C639-R668 PolarHBondContact SG-N 2.72Å; C639-R668 VanDerWaalsContact SG-N 3.36Å; C639-R668 PolarHBondContact SG-O 3.44Å; C639-R668 VanDerWaalsContact SG-O 3.34Å; C664-R668 CarbonylContact C-O 3.27Å; C664-R668 WeakPolarHBondContact CA-O 3.32Å; Q665-R668 PolarHBondContact N-O 2.79Å; Q665-R668 PolarHBondContact O-N 3.01Å; T666-R668 VanDerWaalsContact C-N 3.32Å; T666-R668 PolarHBondContact O-N 2.92Å
669V78.1Confident76.1Confident30 Ų3069.9 Ų69.918%0.18235%0.352CS..EExtended strand (participates in β ladder)trans-83.7118.5167.4-176.50000109T611 C639 H641 W652 C662T611-V669 HydrophobicContact CG2-CB 4.44Å; T611-V669 HydrophobicContact CG2-CG2 3.89Å; C639-V669 HydrophobicContact CB-CG2 3.64Å; H641-V669 HydrophobicContact CB-CG2 4.09Å; W652-V669 HydrophobicContact CH2-CB 4.42Å; W652-V669 HydrophobicContact CH2-CG1 3.9Å; W652-V669 HydrophobicContact CH2-CG2 3.96Å; W652-V669 HydrophobicContact CZ2-CB 4.34Å; W652-V669 HydrophobicContact CZ2-CG1 3.5Å; W652-V669 HydrophobicContact CZ2-CG2 3.95Å; C662-V669 HydrophobicContact CB-CG1 3.92Å
670M74.2Confident76.2Confident105 Ų10572.9 Ų72.952%0.51737%0.367SS..EExtended strand (participates in β ladder)trans-111.4117.2172.2-62.8-167.4109.900109.6C662 S663C662-M670 CarbonylContact C-O 3.58Å; C662-M670 VanDerWaalsContact CA-O 3.22Å; C662-M670 WeakPolarHBondContact CA-O 3.47Å; S663-M670 PolarHBondContact N-O 2.84Å; S663-M670 PolarHBondContact O-N 3.4Å
671C80.3Confident75.6Confident63 Ų6378.3 Ų78.343%0.42640%0.402SS..EExtended strand (participates in β ladder)trans-108.4137.6178.4-57.60000110.5L654 V661 C662L654-C671 HydrophobicContact CD1-CB 4.34Å; V661-C671 WeakPolarHBondContact O-CA 3.48Å; C662-C671 HydrophobicContact CB-CB 4.13Å; C662-C671 WeakPolarHBondContact CB-SG 3.46Å; C662-C671 WeakPolarHBondContact SG-CB 3.34Å; C662-C671 CovalentContact SG-SG 2.03Å; C662-C671 PolarHBondContact SG-SG 2.65Å
672R76Confident75Confident182 Ų18282.1 Ų82.169%0.68743%0.426SS*.EExtended strand (participates in β ladder)trans-141.6154.8172.862.1179179.8178.41.3109.5S660 V661S660-R672 CarbonylContact C-O 3.59Å; S660-R672 WeakPolarHBondContact CA-O 3.48Å; V661-R672 PolarHBondContact N-O 2.88Å; V661-R672 PolarHBondContact O-N 3.14Å
673R71.5Confident74.2Confident193 Ų19383.1 Ų83.173%0.72843%0.434SS*.EExtended strand (participates in β ladder)trans-60.5144.4169-119.5-172.1-175.7178.61.8110.3C659C659-R673 CarbonylContact O-C 3.55Å; C659-R673 WeakPolarHBondContact O-CA 3.44Å
674M74.7Confident73.5Confident52 Ų5285.6 Ų85.626%0.25645%0.445SS..PPolyproline II helixtrans-63.5140.2175.682.5180-73.600110.4C659 V661 D684 C687 C688C659-M674 PolarHBondContact O-N 2.79Å; V661-M674 HydrophobicContact CG2-CB 3.98Å; M674-D684 HydrophobicContact CE-CB 4.03Å; M674-D684 HydrophobicContact SD-CB 3.96Å; M674-C687 HydrophobicContact CG-CB 3.89Å; M674-C687 HydrophobicContact SD-CB 3.2Å; M674-C687 WeakPolarHBondContact SD-CB 3.28Å; M674-C688 VanDerWaalsContact SD-SG 3.7Å
675V73.3Confident72.9Confident122 Ų12288.1 Ų88.174%0.73946%0.459SS*.PPolyproline II helixtrans-85129.4172.3179.90000107.7
676C71.5Confident72.5Confident33 Ų3388.8 Ų88.822%0.22346%0.46CS..  trans-89.8112-174.2-62.50000111.1C688 E690C676-C688 WeakPolarHBondContact CA-SG 3.38Å; C676-C688 HydrophobicContact CB-CB 3.51Å; C676-C688 WeakPolarHBondContact CB-SG 3.11Å; C676-C688 WeakPolarHBondContact SG-CA 3.14Å; C676-C688 WeakPolarHBondContact SG-CB 3.12Å; C676-C688 CovalentContact SG-SG 2.02Å; C676-C688 PolarHBondContact SG-SG 2.81Å; C676-E690 HydrophobicContact CB-CG 4.43Å; C676-E690 WeakPolarHBondContact CB-OE1 3.44Å; C676-E690 PolarHBondContact SG-OE1 3Å
677D75.6Confident72.4Confident87 Ų8785.5 Ų85.547%0.46544%0.441SS..  trans-107.195.6174.7-179.74.9000109E679 N680D677-E679 PolarHBondContact O-N 3.21Å; D677-E679 PolarHBondContact OD1-N 3.29Å; D677-N680 WeakPolarHBondContact O-CB 3.37Å; D677-N680 PolarHBondContact O-N 2.69Å; D677-N680 VanDerWaalsContact O-N 3.15Å
678C71.4Confident72.6Confident72 Ų7285.5 Ų85.549%0.48644%0.441SS..THydrogen-bonded Turntrans-74.6-6.8-175.1-52.90000113.8C691C678-C691 WeakPolarHBondContact CA-SG 3.41Å; C678-C691 HydrophobicContact CB-CB 3.59Å; C678-C691 WeakPolarHBondContact CB-SG 3.39Å; C678-C691 PolarHBondContact N-SG 3.39Å; C678-C691 VanDerWaalsContact N-SG 3.45Å; C678-C691 WeakPolarHBondContact SG-CA 3.31Å; C678-C691 WeakPolarHBondContact SG-CB 3.28Å; C678-C691 CovalentContact SG-SG 2.04Å; C678-C691 PolarHBondContact SG-SG 3.04Å
679E75Confident72.5Confident182 Ų18282.9 Ų82.985%0.8543%0.434SS*.THydrogen-bonded Turntrans-75.5-18.4170.2-60.3-171.1168.900111.4D677 P681D677-E679 PolarHBondContact O-N 3.21Å; D677-E679 PolarHBondContact OD1-N 3.29Å; E679-P681 WeakPolarHBondContact O-CD 3.48Å
680N73.8Confident72.1Confident73 Ų7385.2 Ų85.239%0.3944%0.443SS..SBendtrans-88.4116.6-179.7-168-23000112D677 T682 A683D677-N680 WeakPolarHBondContact O-CB 3.37Å; D677-N680 PolarHBondContact O-N 2.69Å; D677-N680 VanDerWaalsContact O-N 3.15Å; N680-T682 PolarHBondContact O-N 2.73Å; N680-T682 PolarHBondContact OD1-N 3.16Å; N680-T682 VanDerWaalsContact OD1-N 3.08Å; N680-T682 PolarHBondContact OD1-OG1 2.79Å; N680-A683 WeakPolarHBondContact O-CB 3.42Å; N680-A683 PolarHBondContact O-N 3.2Å; N680-A683 VanDerWaalsContact O-N 3.14Å
681P66.6Low72Confident132 Ų13281.1 Ų81.186%0.85742%0.424SS*.THydrogen-bonded Turntrans-68.7-5.8-178.626.5-33.5000114.8E679E679-P681 WeakPolarHBondContact O-CD 3.48Å
682T68.8Low71.6Confident117 Ų11778.7 Ų78.772%0.71841%0.407SS*.THydrogen-bonded Turntrans-106.417.1174.464.50000113.4N680 D684N680-T682 PolarHBondContact O-N 2.73Å; N680-T682 PolarHBondContact OD1-N 3.16Å; N680-T682 VanDerWaalsContact OD1-N 3.08Å; N680-T682 PolarHBondContact OD1-OG1 2.79Å; T682-D684 PolarHBondContact O-N 3.4Å
683A68.9Low71.2Confident21 Ų2174.9 Ų74.917%0.17441%0.406CS..  trans-58.1136.9174.500000110.9N680 L685 C691N680-A683 WeakPolarHBondContact O-CB 3.42Å; N680-A683 PolarHBondContact O-N 3.2Å; N680-A683 VanDerWaalsContact O-N 3.14Å; A683-L685 PolarHBondContact O-N 3.34Å; A683-C691 HydrophobicContact CB-CB 4.38Å
684D69.9Low71.4Confident73 Ų7372.1 Ų72.139%0.3940%0.395SS..  trans-7398.4177.9-169.1-20.1000109.5M674 T682 F686 C687 C688M674-D684 HydrophobicContact CE-CB 4.03Å; M674-D684 HydrophobicContact SD-CB 3.96Å; T682-D684 PolarHBondContact O-N 3.4Å; D684-F686 PolarHBondContact O-N 3Å; D684-F686 VanDerWaalsContact O-N 3.11Å; D684-F686 VanDerWaalsContact OD1-CB 3.3Å; D684-F686 WeakPolarHBondContact OD1-CB 3.31Å; D684-F686 PolarHBondContact OD1-N 3.48Å; D684-C687 HydrophobicContact CB-CB 4.47Å; D684-C687 PolarHBondContact O-N 2.72Å; D684-C688 WeakPolarHBondContact O-CB 3.38Å; D684-C688 PolarHBondContact O-N 3.43Å
685L70.3Confident71.1Confident53 Ų5376.9 Ų76.928%0.27742%0.421SS..THydrogen-bonded Turntrans-61-17.8-177.8-61.3178.8000113.8A683 C687 C691 D692A683-L685 PolarHBondContact O-N 3.34Å; L685-C687 VanDerWaalsContact C-N 3.33Å; L685-C691 HydrophobicContact CD2-CB 4.43Å; L685-D692 HydrophobicContact CD2-CB 3.89Å
686F69.7Low70.8Confident114 Ų11474.4 Ų74.450%0.541%0.409SS..THydrogen-bonded Turntrans-70.6-33.8173.3179.4-106.4000111.4R658 D684R658-F686 HydrophobicContact CB-CD1 4.28Å; R658-F686 HydrophobicContact CB-CE1 4.23Å; D684-F686 PolarHBondContact O-N 3Å; D684-F686 VanDerWaalsContact O-N 3.11Å; D684-F686 VanDerWaalsContact OD1-CB 3.3Å; D684-F686 WeakPolarHBondContact OD1-CB 3.31Å; D684-F686 PolarHBondContact OD1-N 3.48Å
687C70.7Confident70.9Confident14 Ų1473 Ų7310%0.09540%0.399CS..THydrogen-bonded Turntrans-106.3-21.1-174-63.60000113.9R658 C659 M674 D684 L685 P689R658-C687 VanDerWaalsContact C-SG 3.52Å; R658-C687 PolarHBondContact O-SG 2.87Å; R658-C687 VanDerWaalsContact O-SG 3.4Å; C659-C687 WeakPolarHBondContact CA-SG 3.44Å; C659-C687 HydrophobicContact CB-CB 3.53Å; C659-C687 WeakPolarHBondContact CB-SG 3.44Å; C659-C687 PolarHBondContact N-SG 2.75Å; C659-C687 VanDerWaalsContact N-SG 3.38Å; C659-C687 WeakPolarHBondContact SG-CA 3.23Å; C659-C687 WeakPolarHBondContact SG-CB 3.44Å; C659-C687 CovalentContact SG-SG 2.05Å; C659-C687 PolarHBondContact SG-SG 3.47Å; M674-C687 HydrophobicContact CG-CB 3.89Å; M674-C687 HydrophobicContact SD-CB 3.2Å; M674-C687 WeakPolarHBondContact SD-CB 3.28Å; D684-C687 HydrophobicContact CB-CB 4.47Å; D684-C687 PolarHBondContact O-N 2.72Å; L685-C687 VanDerWaalsContact C-N 3.33Å; C687-P689 VanDerWaalsContact O-CD 3.32Å; C687-P689 WeakPolarHBondContact O-CD 2.84Å
688C73.1Confident71.1Confident0 Ų071.9 Ų71.90%039%0.392CS..  trans-119.365.5172.9-62.60000109.7M674 C676 D684 E690 C691M674-C688 VanDerWaalsContact SD-SG 3.7Å; C676-C688 WeakPolarHBondContact CA-SG 3.38Å; C676-C688 HydrophobicContact CB-CB 3.51Å; C676-C688 WeakPolarHBondContact CB-SG 3.11Å; C676-C688 WeakPolarHBondContact SG-CA 3.14Å; C676-C688 WeakPolarHBondContact SG-CB 3.12Å; C676-C688 CovalentContact SG-SG 2.02Å; C676-C688 PolarHBondContact SG-SG 2.81Å; D684-C688 WeakPolarHBondContact O-CB 3.38Å; D684-C688 PolarHBondContact O-N 3.43Å; C688-E690 PolarHBondContact O-N 3.37Å; C688-C691 HydrophobicContact CB-CB 4.29Å; C688-C691 PolarHBondContact O-N 2.68Å
689P68.6Low71.4Confident23 Ų2368.6 Ų68.615%0.14937%0.369CS..G310 helixtrans-58.1-28.4179.724.1-34.3000112.8C687 C691 D692 S710 L724 Q725C687-P689 VanDerWaalsContact O-CD 3.32Å; C687-P689 WeakPolarHBondContact O-CD 2.84Å; P689-C691 PolarHBondContact O-N 2.03Å; P689-D692 WeakPolarHBondContact O-CB 2.98Å; P689-D692 PolarHBondContact O-N 2.03Å; P689-S710 VanDerWaalsContact C-OG 3.3Å; P689-S710 WeakPolarHBondContact O-CB 3.31Å; P689-S710 PolarHBondContact O-OG 2.66Å; P689-L724 HydrophobicContact CB-CD2 4.36Å; P689-L724 HydrophobicContact CG-CD2 4.09Å; P689-Q725 HydrophobicContact CB-CG 3.51Å
690E69.4Low71.5Confident79 Ų7963 Ų6337%0.36935%0.345SS..G310 helixtrans-65.9-22.1177.663-89.5-154.200113.7C676 C688 D692 S710C676-E690 HydrophobicContact CB-CG 4.43Å; C676-E690 WeakPolarHBondContact CB-OE1 3.44Å; C676-E690 PolarHBondContact SG-OE1 3Å; C688-E690 PolarHBondContact O-N 3.37Å; E690-D692 VanDerWaalsContact C-N 3.34Å; E690-S710 CarbonylContact C-O 3.56Å; E690-S710 WeakPolarHBondContact CA-O 3.4Å
691C72.4Confident71.6Confident18 Ų1860 Ų6012%0.12233%0.329CS..G310 helixtrans-89.11179-56.70000113.1C678 A683 L685 C688 P689 P693C678-C691 WeakPolarHBondContact CA-SG 3.41Å; C678-C691 HydrophobicContact CB-CB 3.59Å; C678-C691 WeakPolarHBondContact CB-SG 3.39Å; C678-C691 PolarHBondContact N-SG 3.39Å; C678-C691 VanDerWaalsContact N-SG 3.45Å; C678-C691 WeakPolarHBondContact SG-CA 3.31Å; C678-C691 WeakPolarHBondContact SG-CB 3.28Å; C678-C691 CovalentContact SG-SG 2.04Å; C678-C691 PolarHBondContact SG-SG 3.04Å; A683-C691 HydrophobicContact CB-CB 4.38Å; L685-C691 HydrophobicContact CD2-CB 4.43Å; C688-C691 HydrophobicContact CB-CB 4.29Å; C688-C691 PolarHBondContact O-N 2.68Å; P689-C691 PolarHBondContact O-N 2.03Å; C691-P693 WeakPolarHBondContact O-CD 3.49Å
692D72Confident71.5Confident12 Ų1255.8 Ų55.86%0.06430%0.298CS..  trans-75.7109.5-176.6-168.3-7.8000111.7L685 P689 E690 R694 S697L685-D692 HydrophobicContact CD2-CB 3.89Å; P689-D692 WeakPolarHBondContact O-CB 2.98Å; P689-D692 PolarHBondContact O-N 2.03Å; E690-D692 VanDerWaalsContact C-N 3.34Å; D692-R694 VanDerWaalsContact C-N 3.27Å; D692-R694 PolarHBondContact O-N 3.16Å; D692-R694 VanDerWaalsContact OD1-CB 3.27Å; D692-R694 WeakPolarHBondContact OD1-CB 3.14Å; D692-R694 WeakPolarHBondContact OD1-CG 3.24Å; D692-R694 IonicContact OD1-CZ 3.89Å; D692-R694 PolarHBondContact OD1-N 2.87Å; D692-R694 VanDerWaalsContact OD1-N 3.09Å; D692-R694 IonicContact OD1-NE 3.76Å; D692-R694 PolarHBondContact OD1-NE 3.46Å; D692-R694 IonicContact OD1-NH2 3.92Å; D692-R694 IonicContact OD2-CZ 3.78Å; D692-R694 VanDerWaalsContact OD2-CZ 3.27Å; D692-R694 IonicContact OD2-NE 2.88Å; D692-R694 PolarHBondContact OD2-NE 2.89Å; D692-R694 IonicContact OD2-NH2 3.83Å; D692-R694 PolarHBondContact OD2-NH2 2.94Å; D692-S697 WeakPolarHBondContact CB-OG 3.29Å; D692-S697 VanDerWaalsContact CG-CB 3.45Å; D692-S697 PolarHBondContact O-OG 3.13Å; D692-S697 PolarHBondContact OD1-OG 2.84Å; D692-S697 WeakPolarHBondContact OD2-CB 3.21Å
693P68.8Low71.4Confident103 Ų10354 Ų5467%0.66928%0.284SS*.  trans-84.4-1.8-17636.5-34.7000112.6C691C691-P693 WeakPolarHBondContact O-CD 3.49Å
694R74.7Confident71.3Confident134 Ų13454.7 Ų54.751%0.50629%0.292SS..SBendtrans-66.3144.7-174.8-68.5178.4-70.4-177.40.4110.9D692 S696 S697 Q698D692-R694 VanDerWaalsContact C-N 3.27Å; D692-R694 PolarHBondContact O-N 3.16Å; D692-R694 VanDerWaalsContact OD1-CB 3.27Å; D692-R694 WeakPolarHBondContact OD1-CB 3.14Å; D692-R694 WeakPolarHBondContact OD1-CG 3.24Å; D692-R694 IonicContact OD1-CZ 3.89Å; D692-R694 PolarHBondContact OD1-N 2.87Å; D692-R694 VanDerWaalsContact OD1-N 3.09Å; D692-R694 IonicContact OD1-NE 3.76Å; D692-R694 PolarHBondContact OD1-NE 3.46Å; D692-R694 IonicContact OD1-NH2 3.92Å; D692-R694 IonicContact OD2-CZ 3.78Å; D692-R694 VanDerWaalsContact OD2-CZ 3.27Å; D692-R694 IonicContact OD2-NE 2.88Å; D692-R694 PolarHBondContact OD2-NE 2.89Å; D692-R694 IonicContact OD2-NH2 3.83Å; D692-R694 PolarHBondContact OD2-NH2 2.94Å; R694-S696 WeakPolarHBondContact CB-OG 3.28Å; R694-S696 PolarHBondContact O-N 2.03Å; R694-S697 PolarHBondContact N-OG 2.84Å; R694-S697 PolarHBondContact O-N 3.27Å; R694-S697 PolarHBondContact O-OG 2.82Å; R694-Q698 PolarHBondContact O-N 3.43Å
695L67.8Low71.4Confident152 Ų15258.3 Ų58.380%0.79631%0.311SS*.THydrogen-bonded Turntrans-58-23172-78.2145.7000112.8
696S68.1Low71.8Confident71 Ų7160 Ų6050%0.49732%0.32SS..THydrogen-bonded Turntrans-76.5-20.3176.256.60000114.6R694R694-S696 WeakPolarHBondContact CB-OG 3.28Å; R694-S696 PolarHBondContact O-N 2.03Å
697S73.4Confident72.2Confident2 Ų259 Ų591%0.01432%0.323CS..THydrogen-bonded Turntrans-95.9-11176.952.60000112.7D692 R694 S710 G726D692-S697 WeakPolarHBondContact CB-OG 3.29Å; D692-S697 VanDerWaalsContact CG-CB 3.45Å; D692-S697 PolarHBondContact O-OG 3.13Å; D692-S697 PolarHBondContact OD1-OG 2.84Å; D692-S697 WeakPolarHBondContact OD2-CB 3.21Å; R694-S697 PolarHBondContact N-OG 2.84Å; R694-S697 PolarHBondContact O-N 3.27Å; R694-S697 PolarHBondContact O-OG 2.82Å; S697-S710 WeakPolarHBondContact O-CB 3.28Å; S697-G726 VanDerWaalsContact C-N 3.31Å; S697-G726 WeakPolarHBondContact O-CA 3.42Å; S697-G726 PolarHBondContact O-N 3.45Å
698Q80.8Confident72.8Confident64 Ų6460.7 Ų60.730%0.29933%0.328SS..SBendtrans-76.3142.6172.3-66.1175.312.700110.3R694 Y708R694-Q698 PolarHBondContact O-N 3.43Å; Q698-Y708 CarbonylContact C-O 3.59Å; Q698-Y708 VanDerWaalsContact CA-O 3.26Å; Q698-Y708 WeakPolarHBondContact CA-O 3.49Å
699C77.8Confident73.1Confident3 Ų362 Ų622%0.0234%0.342CS..EExtended strand (participates in β ladder)trans-103.7137.4177.3-55.20000110.8T707 Y708 C723 Q727 V728C699-T707 CarbonylContact O-C 3.57Å; C699-T707 WeakPolarHBondContact O-CA 3.44Å; C699-Y708 PolarHBondContact N-O 3.28Å; C699-Y708 PolarHBondContact O-N 3.15Å; C699-C723 HydrophobicContact CB-CB 3.61Å; C699-C723 WeakPolarHBondContact CB-SG 3.4Å; C699-C723 PolarHBondContact N-SG 2.03Å; C699-C723 VanDerWaalsContact N-SG 3.35Å; C699-C723 WeakPolarHBondContact SG-CA 3.39Å; C699-C723 WeakPolarHBondContact SG-CB 3.32Å; C699-C723 CovalentContact SG-SG 2.02Å; C699-C723 PolarHBondContact SG-SG 3.07Å; C699-Q727 VanDerWaalsContact SG-C 3.55Å; C699-Q727 PolarHBondContact SG-N 3.5Å; C699-Q727 VanDerWaalsContact SG-N 3.42Å; C699-Q727 PolarHBondContact SG-O 3.45Å; C699-V728 HydrophobicContact CB-CG2 3.36Å
700L77.1Confident73.6Confident64 Ų6461.3 Ų61.334%0.33534%0.337SS..EExtended strand (participates in β ladder)trans-85.6133170.5-156.968.9000109A195 T707A195-L700 HydrophobicContact CB-CD2 3.9Å; L700-T707 HydrophobicContact CD1-CG2 3.63Å
701H74.5Confident73.9Confident11 Ų1158.8 Ų58.85%0.05133%0.333CS..PPolyproline II helixtrans-62.2158.5172.6-171.1-106.9000111N703 G704 L706 Y708 W714 E716H701-N703 PolarHBondContact ND1-ND2 2.04Å; H701-N703 PolarHBondContact ND1-OD1 3.04Å; H701-N703 PolarHBondContact O-N 2.04Å; H701-N703 VanDerWaalsContact O-N 3.12Å; H701-G704 PolarHBondContact O-N 2.75Å; H701-L706 HydrophobicContact CB-CB 3.71Å; H701-L706 VanDerWaalsContact CB-O 3.23Å; H701-L706 WeakPolarHBondContact CB-O 3.46Å; H701-L706 PolarHBondContact N-O 3.06Å; H701-Y708 HydrophobicContact CB-CD2 4.3Å; H701-Y708 HydrophobicContact CB-CE2 3.88Å; H701-Y708 AromaticContact CD2-CE2 3.5Å; H701-Y708 AromaticContact CG-CE2 3.99Å; H701-W714 AromaticContact CD2-CE2 3.99Å; H701-W714 AromaticContact CD2-NE1 3.46Å; H701-W714 PolarHBondContact CD2-NE1 3.23Å; H701-W714 AromaticContact NE2-NE1 3.69Å; H701-E716 IonicContact CD2-OE2 2.97Å; H701-E716 IonicContact CE1-OE1 3.54Å; H701-E716 PolarHBondContact CE1-OE1 2.82Å; H701-E716 IonicContact CE1-OE2 3.2Å; H701-E716 IonicContact ND1-OE1 2.85Å; H701-E716 VanDerWaalsContact NE2-CD 3.27Å; H701-E716 IonicContact NE2-OE1 3.22Å; H701-E716 PolarHBondContact NE2-OE1 3Å; H701-E716 IonicContact NE2-OE2 3.18Å; H701-E716 PolarHBondContact NE2-OE2 2.78Å
702Q65Low74.4Confident44 Ų4461.5 Ų61.521%0.20635%0.346CS..THydrogen-bonded Turntrans-57.8-31.8-175.4-64.4-173.911.100113G704Q702-G704 VanDerWaalsContact C-N 3.28Å; Q702-G704 PolarHBondContact O-N 3.08Å
703N66.4Low74.9Confident80 Ų8064.8 Ų64.843%0.42837%0.366SS..THydrogen-bonded Turntrans-76.6-4.9176703.9000115H701 L705H701-N703 PolarHBondContact ND1-ND2 2.04Å; H701-N703 PolarHBondContact ND1-OD1 3.04Å; H701-N703 PolarHBondContact O-N 2.04Å; H701-N703 VanDerWaalsContact O-N 3.12Å; N703-L705 PolarHBondContact O-N 3Å; N703-L705 PolarHBondContact OD1-N 3.07Å
704G68Low75.8Confident34 Ų3460.9 Ų60.935%0.35134%0.338SS..SBendtrans74.42.4179.200000116.2H701 Q702H701-G704 PolarHBondContact O-N 2.75Å; Q702-G704 VanDerWaalsContact C-N 3.28Å; Q702-G704 PolarHBondContact O-N 3.08Å
705L70.4Confident76Confident149 Ų14958.6 Ų58.678%0.7834%0.339SS*.SBendtrans-107.9-26.9-170.8-67.3170.4000114N703N703-L705 PolarHBondContact O-N 3Å; N703-L705 PolarHBondContact OD1-N 3.07Å
706L78.4Confident76.2Confident90 Ų9053.4 Ų53.447%0.47131%0.311SS..  trans-108.6138.8-177.6-67.1164.3000109.9H701 Y708H701-L706 HydrophobicContact CB-CB 3.71Å; H701-L706 VanDerWaalsContact CB-O 3.23Å; H701-L706 WeakPolarHBondContact CB-O 3.46Å; H701-L706 PolarHBondContact N-O 3.06Å; L706-Y708 HydrophobicContact CB-CE2 4.27Å
707T79.9Confident76.3Confident92 Ų9255.3 Ų55.356%0.56432%0.315SS*.EExtended strand (participates in β ladder)trans-114.4129.817652.20000109.9C699 L700C699-T707 CarbonylContact O-C 3.57Å; C699-T707 WeakPolarHBondContact O-CA 3.44Å; L700-T707 HydrophobicContact CD1-CG2 3.63Å
708Y81.4Confident76.4Confident50 Ų5057.9 Ų57.920%0.19633%0.333CS..EExtended strand (participates in β ladder)trans-106.5140.3176-69.9-82.2000110.1Q698 C699 H701 L706 D712 W714Q698-Y708 CarbonylContact C-O 3.59Å; Q698-Y708 VanDerWaalsContact CA-O 3.26Å; Q698-Y708 WeakPolarHBondContact CA-O 3.49Å; C699-Y708 PolarHBondContact N-O 3.28Å; C699-Y708 PolarHBondContact O-N 3.15Å; H701-Y708 HydrophobicContact CB-CD2 4.3Å; H701-Y708 HydrophobicContact CB-CE2 3.88Å; H701-Y708 AromaticContact CD2-CE2 3.5Å; H701-Y708 AromaticContact CG-CE2 3.99Å; L706-Y708 HydrophobicContact CB-CE2 4.27Å; Y708-D712 HydrophobicContact CD1-CB 3.96Å; Y708-D712 HydrophobicContact CG-CB 4.44Å; Y708-W714 HydrophobicContact CD1-CD2 4.36Å; Y708-W714 AromaticContact CD1-CE3 3.82Å; Y708-W714 HydrophobicContact CD1-CE3 3.82Å; Y708-W714 HydrophobicContact CD1-CZ3 4.26Å; Y708-W714 HydrophobicContact CD2-CD2 4.15Å; Y708-W714 AromaticContact CD2-CE3 3.97Å; Y708-W714 HydrophobicContact CD2-CE3 3.97Å; Y708-W714 HydrophobicContact CD2-CH2 4.05Å; Y708-W714 HydrophobicContact CD2-CZ2 4.21Å; Y708-W714 AromaticContact CD2-CZ3 3.94Å; Y708-W714 HydrophobicContact CD2-CZ3 3.94Å; Y708-W714 HydrophobicContact CE1-CB 4.06Å; Y708-W714 HydrophobicContact CE1-CD2 4.08Å; Y708-W714 AromaticContact CE1-CE3 3.99Å; Y708-W714 HydrophobicContact CE1-CE3 3.99Å; Y708-W714 HydrophobicContact CE1-CG 4.14Å; Y708-W714 AromaticContact CE2-CD2 3.89Å; Y708-W714 HydrophobicContact CE2-CD2 3.89Å; Y708-W714 AromaticContact CE2-CE2 3.98Å; Y708-W714 HydrophobicContact CE2-CE3 4.15Å; Y708-W714 HydrophobicContact CE2-CG 4.26Å; Y708-W714 HydrophobicContact CE2-CZ2 4.33Å; Y708-W714 HydrophobicContact CE2-CZ3 4.5Å; Y708-W714 HydrophobicContact CG-CD2 4.37Å; Y708-W714 AromaticContact CG-CE3 3.79Å; Y708-W714 HydrophobicContact CG-CE3 3.79Å; Y708-W714 HydrophobicContact CG-CH2 4.34Å; Y708-W714 AromaticContact CG-CZ3 3.79Å; Y708-W714 HydrophobicContact CG-CZ3 3.79Å; Y708-W714 AromaticContact CZ-CD2 3.82Å; Y708-W714 AromaticContact CZ-CG 3.8Å
709G79.9Confident76.1Confident28 Ų2855.3 Ų55.329%0.28932%0.321SS..  trans-67.9155.317000000111.1G711 D712 C723G709-G711 PolarHBondContact O-N 3.08Å; G709-D712 WeakPolarHBondContact CA-OD2 3.03Å; G709-D712 PolarHBondContact N-OD2 2.88Å; G709-D712 WeakPolarHBondContact O-CB 3.37Å; G709-D712 PolarHBondContact O-N 2.78Å; G709-D712 VanDerWaalsContact O-N 3.11Å; G709-C723 WeakPolarHBondContact O-CB 3.2Å; G709-C723 PolarHBondContact O-SG 3.19Å; G709-C723 VanDerWaalsContact O-SG 3.32Å
710S78.9Confident76.4Confident7 Ų758.3 Ų58.35%0.04933%0.334CS..THydrogen-bonded Turntrans-59.5129.8168.3-170.60000108.7P689 E690 S697 Q725P689-S710 VanDerWaalsContact C-OG 3.3Å; P689-S710 WeakPolarHBondContact O-CB 3.31Å; P689-S710 PolarHBondContact O-OG 2.66Å; E690-S710 CarbonylContact C-O 3.56Å; E690-S710 WeakPolarHBondContact CA-O 3.4Å; S697-S710 WeakPolarHBondContact O-CB 3.28Å; S710-Q725 PolarHBondContact OG-N 2.74Å
711G76.4Confident76.8Confident27 Ų2755.2 Ų55.228%0.27832%0.318SS..THydrogen-bonded Turntrans98.3-18.2-173.400000114.9G709 C723G709-G711 PolarHBondContact O-N 3.08Å; G711-C723 WeakPolarHBondContact CA-O 3.42Å; G711-C723 PolarHBondContact N-O 3.26Å
712D82.8Confident77.3Confident74 Ų7457.2 Ų57.240%0.39633%0.327SS..  trans-68.5147.1-179.5-73.6-16.9000111.9Y708 G709 Q722 C723Y708-D712 HydrophobicContact CD1-CB 3.96Å; Y708-D712 HydrophobicContact CG-CB 4.44Å; G709-D712 WeakPolarHBondContact CA-OD2 3.03Å; G709-D712 PolarHBondContact N-OD2 2.88Å; G709-D712 WeakPolarHBondContact O-CB 3.37Å; G709-D712 PolarHBondContact O-N 2.78Å; G709-D712 VanDerWaalsContact O-N 3.11Å; D712-Q722 WeakPolarHBondContact O-CA 3.1Å; D712-C723 PolarHBondContact O-N 2.96Å
713T83.6Confident78.2Confident81 Ų8155.1 Ų55.150%0.49732%0.318SS..EExtended strand (participates in β ladder)trans-127.4144.7174.559.70000110.5C721 Q722T713-C721 CarbonylContact C-O 3.18Å; T713-C721 VanDerWaalsContact CA-O 3.24Å; T713-C721 WeakPolarHBondContact CA-O 3.24Å; T713-Q722 HydrophobicContact CG2-CB 3.99Å; T713-Q722 HydrophobicContact CG2-CG 3.87Å
714W86.1Confident78.8Confident21 Ų2153 Ų538%0.0831%0.306CS..EExtended strand (participates in β ladder)trans-147.5169.3176.168.7100.7000110.8H701 Y708 C721 C723 V728H701-W714 AromaticContact CD2-CE2 3.99Å; H701-W714 AromaticContact CD2-NE1 3.46Å; H701-W714 PolarHBondContact CD2-NE1 3.23Å; H701-W714 AromaticContact NE2-NE1 3.69Å; Y708-W714 HydrophobicContact CD1-CD2 4.36Å; Y708-W714 AromaticContact CD1-CE3 3.82Å; Y708-W714 HydrophobicContact CD1-CE3 3.82Å; Y708-W714 HydrophobicContact CD1-CZ3 4.26Å; Y708-W714 HydrophobicContact CD2-CD2 4.15Å; Y708-W714 AromaticContact CD2-CE3 3.97Å; Y708-W714 HydrophobicContact CD2-CE3 3.97Å; Y708-W714 HydrophobicContact CD2-CH2 4.05Å; Y708-W714 HydrophobicContact CD2-CZ2 4.21Å; Y708-W714 AromaticContact CD2-CZ3 3.94Å; Y708-W714 HydrophobicContact CD2-CZ3 3.94Å; Y708-W714 HydrophobicContact CE1-CB 4.06Å; Y708-W714 HydrophobicContact CE1-CD2 4.08Å; Y708-W714 AromaticContact CE1-CE3 3.99Å; Y708-W714 HydrophobicContact CE1-CE3 3.99Å; Y708-W714 HydrophobicContact CE1-CG 4.14Å; Y708-W714 AromaticContact CE2-CD2 3.89Å; Y708-W714 HydrophobicContact CE2-CD2 3.89Å; Y708-W714 AromaticContact CE2-CE2 3.98Å; Y708-W714 HydrophobicContact CE2-CE3 4.15Å; Y708-W714 HydrophobicContact CE2-CG 4.26Å; Y708-W714 HydrophobicContact CE2-CZ2 4.33Å; Y708-W714 HydrophobicContact CE2-CZ3 4.5Å; Y708-W714 HydrophobicContact CG-CD2 4.37Å; Y708-W714 AromaticContact CG-CE3 3.79Å; Y708-W714 HydrophobicContact CG-CE3 3.79Å; Y708-W714 HydrophobicContact CG-CH2 4.34Å; Y708-W714 AromaticContact CG-CZ3 3.79Å; Y708-W714 HydrophobicContact CG-CZ3 3.79Å; Y708-W714 AromaticContact CZ-CD2 3.82Å; Y708-W714 AromaticContact CZ-CG 3.8Å; W714-C721 HydrophobicContact CD2-CB 3.7Å; W714-C721 HydrophobicContact CE3-CB 4.17Å; W714-C721 HydrophobicContact CG-CB 4.24Å; W714-C721 HydrophobicContact CH2-CB 3.95Å; W714-C721 HydrophobicContact CZ2-CB 3.46Å; W714-C721 VanDerWaalsContact CZ2-CB 3.46Å; W714-C721 HydrophobicContact CZ3-CB 4.28Å; W714-C721 PolarHBondContact N-O 3.07Å; W714-C721 PolarHBondContact O-N 2.94Å; W714-C723 HydrophobicContact CH2-CB 4.29Å; W714-C723 HydrophobicContact CZ3-CB 3.87Å; W714-V728 HydrophobicContact CH2-CB 4.25Å; W714-V728 HydrophobicContact CH2-CG1 3.45Å; W714-V728 VanDerWaalsContact CH2-CG1 3.45Å; W714-V728 HydrophobicContact CH2-CG2 3.83Å; W714-V728 HydrophobicContact CZ2-CG1 3.55Å; W714-V728 HydrophobicContact CZ2-CG2 4.33Å
715V79.3Confident79.1Confident86 Ų8655.4 Ų55.452%0.52131%0.309SS..EExtended strand (participates in β ladder)trans-119.4128.3176.5179.40000108.7Q719 L733V715-Q719 WeakPolarHBondContact CA-O 3.04Å; V715-L733 HydrophobicContact CG1-CD2 4.35Å; V715-L733 HydrophobicContact CG2-CD1 4.28Å
716E72.9Confident79.3Confident43 Ų4349.5 Ų49.520%0.20128%0.284CS..EExtended strand (participates in β ladder)trans-146137178.5-178.4176-13700109.5H701 C718 Q719H701-E716 IonicContact CD2-OE2 2.97Å; H701-E716 IonicContact CE1-OE1 3.54Å; H701-E716 PolarHBondContact CE1-OE1 2.82Å; H701-E716 IonicContact CE1-OE2 3.2Å; H701-E716 IonicContact ND1-OE1 2.85Å; H701-E716 VanDerWaalsContact NE2-CD 3.27Å; H701-E716 IonicContact NE2-OE1 3.22Å; H701-E716 PolarHBondContact NE2-OE1 3Å; H701-E716 IonicContact NE2-OE2 3.18Å; H701-E716 PolarHBondContact NE2-OE2 2.78Å; E716-C718 PolarHBondContact O-N 3.42Å; E716-Q719 PolarHBondContact N-O 2.94Å; E716-Q719 WeakPolarHBondContact O-CB 3.05Å; E716-Q719 PolarHBondContact O-N 3.09Å
717N70.1Confident79.2Confident112 Ų11246.3 Ų46.360%0.59927%0.266SS*.THydrogen-bonded Turntrans48.938.2176.3-66.3-31.7000114.4Q719N717-Q719 PolarHBondContact O-N 3.22Å
718C73.9Confident79.2Confident56 Ų5642.7 Ų42.738%0.37824%0.244SC..THydrogen-bonded Turntrans62.827.5-178-49.70000114.9E716 L733 C750E716-C718 PolarHBondContact O-N 3.42Å; C718-L733 WeakPolarHBondContact O-CB 3.47Å; C718-L733 PolarHBondContact O-N 3.17Å; C718-C750 WeakPolarHBondContact CA-SG 3.44Å; C718-C750 HydrophobicContact CB-CB 3.45Å; C718-C750 VanDerWaalsContact CB-CB 3.45Å; C718-C750 WeakPolarHBondContact CB-SG 3.49Å; C718-C750 PolarHBondContact N-SG 3.45Å; C718-C750 WeakPolarHBondContact SG-CA 3.32Å; C718-C750 WeakPolarHBondContact SG-CB 3.02Å; C718-C750 CovalentContact SG-SG 2.03Å; C718-C750 PolarHBondContact SG-SG 3.37Å
719Q75.8Confident79.3Confident9 Ų940.3 Ų40.34%0.04223%0.234CC..EExtended strand (participates in β ladder)trans-120.2140.9170.1-53-168.3-69.600108.7V715 E716 N717 C730 W731V715-Q719 WeakPolarHBondContact CA-O 3.04Å; E716-Q719 PolarHBondContact N-O 2.94Å; E716-Q719 WeakPolarHBondContact O-CB 3.05Å; E716-Q719 PolarHBondContact O-N 3.09Å; N717-Q719 PolarHBondContact O-N 3.22Å; Q719-C730 HydrophobicContact CB-CB 4.18Å; Q719-W731 CarbonylContact C-O 3.51Å; Q719-W731 WeakPolarHBondContact CA-O 3.24Å; Q719-W731 WeakPolarHBondContact CB-O 3.46Å
720Q84.2Confident79.3Confident66 Ų6639 Ų3931%0.30822%0.221SC..EExtended strand (participates in β ladder)trans-91.4124.1166.7-178176.58.400107.5C730 W731 L733Q720-C730 CarbonylContact O-C 3.52Å; Q720-C730 WeakPolarHBondContact O-CA 3.06Å; Q720-W731 HydrophobicContact CB-CD2 4.45Å; Q720-W731 HydrophobicContact CB-CZ2 4.05Å; Q720-W731 HydrophobicContact CG-CH2 4.38Å; Q720-W731 HydrophobicContact CG-CZ2 3.55Å; Q720-W731 PolarHBondContact N-O 2.75Å; Q720-W731 VanDerWaalsContact O-CE3 3.32Å; Q720-W731 PolarHBondContact O-N 3.47Å; Q720-L733 HydrophobicContact CB-CD1 4.05Å
721C84.6Confident79.3Confident0 Ų039.5 Ų39.50%022%0.222CC..EExtended strand (participates in β ladder)trans-111.6145.4-177.9-62.60000110.3T713 W714 V728 D729 C730T713-C721 CarbonylContact C-O 3.18Å; T713-C721 VanDerWaalsContact CA-O 3.24Å; T713-C721 WeakPolarHBondContact CA-O 3.24Å; W714-C721 HydrophobicContact CD2-CB 3.7Å; W714-C721 HydrophobicContact CE3-CB 4.17Å; W714-C721 HydrophobicContact CG-CB 4.24Å; W714-C721 HydrophobicContact CH2-CB 3.95Å; W714-C721 HydrophobicContact CZ2-CB 3.46Å; W714-C721 VanDerWaalsContact CZ2-CB 3.46Å; W714-C721 HydrophobicContact CZ3-CB 4.28Å; W714-C721 PolarHBondContact N-O 3.07Å; W714-C721 PolarHBondContact O-N 2.94Å; C721-V728 HydrophobicContact CB-CG1 4.21Å; C721-D729 CarbonylContact C-O 3.45Å; C721-D729 VanDerWaalsContact CA-O 3.31Å; C721-D729 WeakPolarHBondContact CA-O 3.3Å; C721-C730 HydrophobicContact CB-CB 4.09Å; C721-C730 WeakPolarHBondContact CB-SG 3.39Å; C721-C730 WeakPolarHBondContact SG-CB 3.31Å; C721-C730 CovalentContact SG-SG 2.04Å; C721-C730 PolarHBondContact SG-SG 3.23Å
722Q85.9Confident79.1Confident52 Ų5240.6 Ų40.624%0.24322%0.224CC..EExtended strand (participates in β ladder)trans-131.5135.5173.7-178.4171.223.700110.3D712 T713 L724 V728 D729 W731D712-Q722 WeakPolarHBondContact O-CA 3.1Å; T713-Q722 HydrophobicContact CG2-CB 3.99Å; T713-Q722 HydrophobicContact CG2-CG 3.87Å; Q722-L724 HydrophobicContact CG-CD1 4.28Å; Q722-L724 HydrophobicContact CG-CG 4.15Å; Q722-V728 WeakPolarHBondContact O-CA 3.43Å; Q722-D729 PolarHBondContact N-O 3.26Å; Q722-D729 PolarHBondContact O-N 3.43Å; Q722-W731 HydrophobicContact CB-CH2 3.62Å; Q722-W731 HydrophobicContact CB-CZ3 3.74Å
723C83.5Confident78.9Confident0 Ų039.3 Ų39.30%022%0.217CC..EExtended strand (participates in β ladder)trans-92.6128169.7176.30000109.6C699 G709 G711 D712 W714 Q727C699-C723 HydrophobicContact CB-CB 3.61Å; C699-C723 WeakPolarHBondContact CB-SG 3.4Å; C699-C723 PolarHBondContact N-SG 2.03Å; C699-C723 VanDerWaalsContact N-SG 3.35Å; C699-C723 WeakPolarHBondContact SG-CA 3.39Å; C699-C723 WeakPolarHBondContact SG-CB 3.32Å; C699-C723 CovalentContact SG-SG 2.02Å; C699-C723 PolarHBondContact SG-SG 3.07Å; G709-C723 WeakPolarHBondContact O-CB 3.2Å; G709-C723 PolarHBondContact O-SG 3.19Å; G709-C723 VanDerWaalsContact O-SG 3.32Å; G711-C723 WeakPolarHBondContact CA-O 3.42Å; G711-C723 PolarHBondContact N-O 3.26Å; D712-C723 PolarHBondContact O-N 2.96Å; W714-C723 HydrophobicContact CH2-CB 4.29Å; W714-C723 HydrophobicContact CZ3-CB 3.87Å; C723-Q727 CarbonylContact C-O 3.47Å; C723-Q727 WeakPolarHBondContact CA-O 3.11Å
724L78.1Confident78.1Confident36 Ų3643.1 Ų43.119%0.18823%0.234CC..EExtended strand (participates in β ladder)trans-143.1122.6169.6-81.4170.3000109.4P689 Q722 G726 Q727P689-L724 HydrophobicContact CB-CD2 4.36Å; P689-L724 HydrophobicContact CG-CD2 4.09Å; Q722-L724 HydrophobicContact CG-CD1 4.28Å; Q722-L724 HydrophobicContact CG-CG 4.15Å; L724-G726 VanDerWaalsContact C-N 3.29Å; L724-G726 PolarHBondContact O-N 2.85Å; L724-Q727 PolarHBondContact N-O 3.39Å; L724-Q727 WeakPolarHBondContact O-CB 3.06Å; L724-Q727 PolarHBondContact O-N 2.04Å
725Q75.7Confident77.3Confident85 Ų8544.8 Ų44.840%0.39725%0.248SC..THydrogen-bonded Turntrans50.244177.9-58.4-177.4-17.500114P689 S710 Q727P689-Q725 HydrophobicContact CB-CG 3.51Å; S710-Q725 PolarHBondContact OG-N 2.74Å; Q725-Q727 PolarHBondContact O-N 3.06Å
726G73.2Confident76.9Confident25 Ų2545.4 Ų45.426%0.25825%0.253SS..THydrogen-bonded Turntrans74.912.6178.900000113.9S697 L724S697-G726 VanDerWaalsContact C-N 3.31Å; S697-G726 WeakPolarHBondContact O-CA 3.42Å; S697-G726 PolarHBondContact O-N 3.45Å; L724-G726 VanDerWaalsContact C-N 3.29Å; L724-G726 PolarHBondContact O-N 2.85Å
727Q76.2Confident76.3Confident23 Ų2351.5 Ų51.511%0.10728%0.282CS..EExtended strand (participates in β ladder)trans-114.2134.9176.3-52.7-17936.400109.4N97 C699 C723 L724 Q725N97-Q727 VanDerWaalsContact CA-OE1 3.27Å; N97-Q727 PolarHBondContact ND2-OE1 2.98Å; C699-Q727 VanDerWaalsContact SG-C 3.55Å; C699-Q727 PolarHBondContact SG-N 3.5Å; C699-Q727 VanDerWaalsContact SG-N 3.42Å; C699-Q727 PolarHBondContact SG-O 3.45Å; C723-Q727 CarbonylContact C-O 3.47Å; C723-Q727 WeakPolarHBondContact CA-O 3.11Å; L724-Q727 PolarHBondContact N-O 3.39Å; L724-Q727 WeakPolarHBondContact O-CB 3.06Å; L724-Q727 PolarHBondContact O-N 2.04Å; Q725-Q727 PolarHBondContact O-N 3.06Å
728V80.6Confident76.4Confident15 Ų1548.7 Ų48.79%0.09127%0.268CS..EExtended strand (participates in β ladder)trans-106.1124.6173.9-177.50000108.8H196 C699 W714 C721 Q722H196-V728 WeakPolarHBondContact NE2-CB 3.07Å; H196-V728 WeakPolarHBondContact NE2-CG1 3.42Å; C699-V728 HydrophobicContact CB-CG2 3.36Å; W714-V728 HydrophobicContact CH2-CB 4.25Å; W714-V728 HydrophobicContact CH2-CG1 3.45Å; W714-V728 VanDerWaalsContact CH2-CG1 3.45Å; W714-V728 HydrophobicContact CH2-CG2 3.83Å; W714-V728 HydrophobicContact CZ2-CG1 3.55Å; W714-V728 HydrophobicContact CZ2-CG2 4.33Å; C721-V728 HydrophobicContact CB-CG1 4.21Å; Q722-V728 WeakPolarHBondContact O-CA 3.43Å
729D83.1Confident76.1Confident0 Ų053.4 Ų53.40%029%0.29CS..EExtended strand (participates in β ladder)trans-114.6121.2171.6-164.9-28.4000108.3S98 S117 R124 C721 Q722 W731S98-D729 WeakPolarHBondContact CB-OD2 3.42Å; S98-D729 PolarHBondContact OG-OD2 3.18Å; S117-D729 WeakPolarHBondContact CB-OD2 3.36Å; S117-D729 PolarHBondContact OG-OD2 3.06Å; R124-D729 IonicContact CZ-OD1 3.93Å; R124-D729 IonicContact NH1-OD1 2.7Å; R124-D729 PolarHBondContact NH1-OD1 2.9Å; R124-D729 IonicContact NH2-OD1 3.69Å; C721-D729 CarbonylContact C-O 3.45Å; C721-D729 VanDerWaalsContact CA-O 3.31Å; C721-D729 WeakPolarHBondContact CA-O 3.3Å; Q722-D729 PolarHBondContact N-O 3.26Å; Q722-D729 PolarHBondContact O-N 3.43Å; D729-W731 WeakPolarHBondContact O-CZ3 3.35Å
730C80.5Confident75.9Confident1 Ų155 Ų551%0.00730%0.301CS..EExtended strand (participates in β ladder)trans-118.7123.2179.9-630000109.7R124 Q719 Q720 C721R124-C730 PolarHBondContact NH1-O 3.28Å; Q719-C730 HydrophobicContact CB-CB 4.18Å; Q720-C730 CarbonylContact O-C 3.52Å; Q720-C730 WeakPolarHBondContact O-CA 3.06Å; C721-C730 HydrophobicContact CB-CB 4.09Å; C721-C730 WeakPolarHBondContact CB-SG 3.39Å; C721-C730 WeakPolarHBondContact SG-CB 3.31Å; C721-C730 CovalentContact SG-SG 2.04Å; C721-C730 PolarHBondContact SG-SG 3.23Å
731W78.5Confident75Confident17 Ų1757.1 Ų57.16%0.06431%0.311CS..EExtended strand (participates in β ladder)trans-117.6156.7177.557.493.8000111R120 Q719 Q720 Q722 D729 L733R120-W731 VanDerWaalsContact CZ-CE2 3.42Å; R120-W731 VanDerWaalsContact NH2-CD2 3.3Å; Q719-W731 CarbonylContact C-O 3.51Å; Q719-W731 WeakPolarHBondContact CA-O 3.24Å; Q719-W731 WeakPolarHBondContact CB-O 3.46Å; Q720-W731 HydrophobicContact CB-CD2 4.45Å; Q720-W731 HydrophobicContact CB-CZ2 4.05Å; Q720-W731 HydrophobicContact CG-CH2 4.38Å; Q720-W731 HydrophobicContact CG-CZ2 3.55Å; Q720-W731 PolarHBondContact N-O 2.75Å; Q720-W731 VanDerWaalsContact O-CE3 3.32Å; Q720-W731 PolarHBondContact O-N 3.47Å; Q722-W731 HydrophobicContact CB-CH2 3.62Å; Q722-W731 HydrophobicContact CB-CZ3 3.74Å; D729-W731 WeakPolarHBondContact O-CZ3 3.35Å; W731-L733 PolarHBondContact O-N 2.95Å
732P73.3Confident74.4Confident51 Ų5158.1 Ų58.133%0.33132%0.316SS..EExtended strand (participates in β ladder)trans-53.8132.6176-24.834.6000111.6T136 L734T136-P732 HydrophobicContact CG2-CG 4.22Å; P732-L734 PolarHBondContact O-N 3.17Å
733L77.9Confident73.9Confident46 Ų4656.8 Ų56.824%0.24131%0.311CS..  trans-66.2118.3174.9-173.175.8000108.7V715 C718 Q720 W731 C735 C750V715-L733 HydrophobicContact CG1-CD2 4.35Å; V715-L733 HydrophobicContact CG2-CD1 4.28Å; C718-L733 WeakPolarHBondContact O-CB 3.47Å; C718-L733 PolarHBondContact O-N 3.17Å; Q720-L733 HydrophobicContact CB-CD1 4.05Å; W731-L733 PolarHBondContact O-N 2.95Å; L733-C735 PolarHBondContact O-N 3.47Å; L733-C735 VanDerWaalsContact O-N 3.14Å; L733-C750 HydrophobicContact CD2-CB 3.91Å
734L67.9Low73.8Confident162 Ų16258 Ų5885%0.84832%0.319SS*.  trans-72106173.2-76.2162.2000108.6P732P732-L734 PolarHBondContact O-N 3.17Å
735C69Low73.7Confident56 Ų5659.4 Ų59.438%0.37833%0.328SS..PPolyproline II helixtrans-78.4136.5174.9-70.10000110.6L733 H737 C750 C751L733-C735 PolarHBondContact O-N 3.47Å; L733-C735 VanDerWaalsContact O-N 3.14Å; C735-H737 PolarHBondContact O-N 3.15Å; C735-C750 PolarHBondContact SG-O 2.79Å; C735-C751 WeakPolarHBondContact CA-SG 3.05Å; C735-C751 HydrophobicContact CB-CB 3.66Å; C735-C751 WeakPolarHBondContact CB-SG 3.45Å; C735-C751 WeakPolarHBondContact SG-CA 3.04Å; C735-C751 WeakPolarHBondContact SG-CB 3.34Å; C735-C751 CovalentContact SG-SG 2.05Å; C735-C751 PolarHBondContact SG-SG 2.92Å
736P69.4Low73.6Confident98 Ų9857.2 Ų57.264%0.63632%0.322SS*.PPolyproline II helixtrans-59.3139.1173.623.7-31.2000109.8V738P736-V738 WeakPolarHBondContact O-CG2 3.23Å; P736-V738 PolarHBondContact O-N 3.24Å
737H61.8Low73.2Confident172 Ų17265.7 Ų65.780%0.79635%0.354SS*.PPolyproline II helixtrans-65.4122.9177.5-168.2-79.5000109.6C735C735-H737 PolarHBondContact O-N 3.15Å
738V70.6Confident72.5Confident52 Ų5268.7 Ų68.732%0.31539%0.392SS..  trans-108.8110.5-178.8-126.80000108.7P736 A752 C754P736-V738 WeakPolarHBondContact O-CG2 3.23Å; P736-V738 PolarHBondContact O-N 3.24Å; V738-A752 HydrophobicContact CG2-CB 4.16Å; V738-A752 WeakPolarHBondContact CG2-O 3.06Å; V738-C754 WeakPolarHBondContact CG1-SG 3.43Å
739D67.9Low72.2Confident155 Ų15571.2 Ų71.283%0.82940%0.403SS*.  trans-98.189.9177.5-168.316000110.4
740C71.8Confident71.7Confident43 Ų4373 Ų7329%0.29142%0.415SS..  trans-150.2154.4-179.531.60000112.1F742 C754C740-F742 PolarHBondContact O-N 3.49Å; C740-C754 HydrophobicContact CB-CB 3.66Å; C740-C754 WeakPolarHBondContact CB-SG 3.04Å; C740-C754 WeakPolarHBondContact SG-CA 3.36Å; C740-C754 WeakPolarHBondContact SG-CB 3.43Å; C740-C754 CovalentContact SG-SG 2.02Å; C740-C754 PolarHBondContact SG-SG 2.84Å
741E65.4Low71.5Confident111 Ų11174.3 Ų74.352%0.51942%0.423SS..SBendtrans-66-27.1-171.8-164.8176.2173.400112.9K770E741-K770 IonicContact OE1-NZ 3.92Å
742F72.3Confident71.3Confident20 Ų2075 Ų759%0.08843%0.432CS..EExtended strand (participates in β ladder)trans-138129.8-178.6-48.6-65.9000111.2C740 V755 P758 A761 I764 N800C740-F742 PolarHBondContact O-N 3.49Å; F742-V755 HydrophobicContact CB-CG2 3.78Å; F742-V755 WeakPolarHBondContact CB-O 3.29Å; F742-V755 PolarHBondContact O-N 2.76Å; F742-P758 HydrophobicContact CD1-CB 3.94Å; F742-P758 HydrophobicContact CD2-CB 4.47Å; F742-P758 HydrophobicContact CE1-CB 3.68Å; F742-P758 HydrophobicContact CE2-CB 4.25Å; F742-P758 HydrophobicContact CG-CB 4.34Å; F742-P758 HydrophobicContact CZ-CB 3.85Å; F742-P758 HydrophobicContact CZ-CG 4.42Å; F742-A761 HydrophobicContact CB-CB 3.79Å; F742-I764 HydrophobicContact CD1-CG1 4.34Å; F742-I764 HydrophobicContact CD1-CG2 4.12Å; F742-I764 HydrophobicContact CE1-CG2 4.04Å; F742-N800 HydrophobicContact CE1-CB 4.28Å; F742-N800 HydrophobicContact CZ-CB 4.48Å
743T75.8Confident71.6Confident25 Ų2579 Ų7915%0.15344%0.441CS..EExtended strand (participates in β ladder)trans-125.1140.6179.8480000111.8A752 R753 A761 D762 T763T743-A752 HydrophobicContact CG2-CB 4.44Å; T743-R753 WeakPolarHBondContact CA-O 3.25Å; T743-A761 WeakPolarHBondContact O-CA 3.01Å; T743-D762 PolarHBondContact O-N 2.86Å; T743-T763 PolarHBondContact O-N 2.82Å; T743-T763 PolarHBondContact OG1-OG1 2.73Å
744V81.1Confident71.6Confident26 Ų2680.2 Ų80.216%0.15845%0.453CS..EExtended strand (participates in β ladder)trans-124.4145.7171.174.70000109.1P746 A752 R753 V755 Q760 D762V744-P746 HydrophobicContact CG1-CG 4.29Å; V744-A752 WeakPolarHBondContact O-CA 3.24Å; V744-R753 PolarHBondContact N-O 3.47Å; V744-R753 PolarHBondContact O-N 3.4Å; V744-V755 HydrophobicContact CB-CG1 3.98Å; V744-V755 HydrophobicContact CB-CG2 4.35Å; V744-V755 HydrophobicContact CG1-CG1 3.35Å; V744-Q760 WeakPolarHBondContact CB-O 3.49Å; V744-Q760 WeakPolarHBondContact CG2-O 3.2Å; V744-D762 WeakPolarHBondContact CG2-OD2 3.48Å
745V76.3Confident72.2Confident64 Ų6473.8 Ų73.839%0.38842%0.42SS..  trans-106.9101.9165.1-177.90000106.5E749 A752 D762V745-E749 WeakPolarHBondContact CG1-O 2.94Å; V745-A752 HydrophobicContact CG2-CB 4.1Å; V745-D762 PolarHBondContact N-OD2 3.44Å
746P74.1Confident72.5Confident39 Ų3977.8 Ų77.825%0.25344%0.443SS..  trans-57.9146.1179.8-22.333000111.4V744 G748 E749V744-P746 HydrophobicContact CG1-CG 4.29Å; P746-G748 PolarHBondContact O-N 3.37Å; P746-E749 HydrophobicContact CB-CB 4.27Å; P746-E749 HydrophobicContact CB-CG 4.29Å; P746-E749 HydrophobicContact CG-CB 4.45Å; P746-E749 PolarHBondContact O-N 3.27Å
747E63.4Low72.8Confident203 Ų20376 Ų7695%0.94943%0.428SS*.THydrogen-bonded Turntrans-56.2125.2175.3-70.2-168.716200110.9E749E747-E749 VanDerWaalsContact C-N 3.35Å
748G61.2Low73.4Confident86 Ų8668 Ų6889%0.88739%0.391SS*.THydrogen-bonded Turntrans86.8-4.7-177.500000115.2P746P746-G748 PolarHBondContact O-N 3.37Å
749E74.7Confident73.6Confident69 Ų6967.8 Ų67.832%0.32239%0.392SS..  trans-104.7154.3170.5-66.7-168.7177.400111.7V745 P746 E747 R753V745-E749 WeakPolarHBondContact CG1-O 2.94Å; P746-E749 HydrophobicContact CB-CB 4.27Å; P746-E749 HydrophobicContact CB-CG 4.29Å; P746-E749 HydrophobicContact CG-CB 4.45Å; P746-E749 PolarHBondContact O-N 3.27Å; E747-E749 VanDerWaalsContact C-N 3.35Å; E749-R753 VanDerWaalsContact CD-NH2 3.35Å; E749-R753 IonicContact OE1-CZ 3.08Å; E749-R753 IonicContact OE1-NH1 2.73Å; E749-R753 PolarHBondContact OE1-NH1 2.8Å; E749-R753 IonicContact OE1-NH2 2.91Å; E749-R753 PolarHBondContact OE1-NH2 2.76Å; E749-R753 IonicContact OE2-CZ 2.83Å; E749-R753 IonicContact OE2-NE 3.75Å; E749-R753 PolarHBondContact OE2-NE 3.34Å; E749-R753 IonicContact OE2-NH1 2.96Å; E749-R753 PolarHBondContact OE2-NH1 2.03Å; E749-R753 IonicContact OE2-NH2 3.12Å; E749-R753 PolarHBondContact OE2-NH2 3.01Å; E749-R753 VanDerWaalsContact OE2-NH2 3.12Å
750C72.1Confident73.9Confident38 Ų3866.3 Ų66.326%0.25738%0.38SS..  trans-105.4-20.1-172.6-69.30000114.3C718 L733 C735C718-C750 WeakPolarHBondContact CA-SG 3.44Å; C718-C750 HydrophobicContact CB-CB 3.45Å; C718-C750 VanDerWaalsContact CB-CB 3.45Å; C718-C750 WeakPolarHBondContact CB-SG 3.49Å; C718-C750 PolarHBondContact N-SG 3.45Å; C718-C750 WeakPolarHBondContact SG-CA 3.32Å; C718-C750 WeakPolarHBondContact SG-CB 3.02Å; C718-C750 CovalentContact SG-SG 2.03Å; C718-C750 PolarHBondContact SG-SG 3.37Å; L733-C750 HydrophobicContact CD2-CB 3.91Å; C735-C750 PolarHBondContact SG-O 2.79Å
751C76.6Confident73.9Confident27 Ų2764.3 Ų64.318%0.18237%0.367CS..SBendtrans-109.4136.6-176.8-61.30000110.6C735C735-C751 WeakPolarHBondContact CA-SG 3.05Å; C735-C751 HydrophobicContact CB-CB 3.66Å; C735-C751 WeakPolarHBondContact CB-SG 3.45Å; C735-C751 WeakPolarHBondContact SG-CA 3.04Å; C735-C751 WeakPolarHBondContact SG-CB 3.34Å; C735-C751 CovalentContact SG-SG 2.05Å; C735-C751 PolarHBondContact SG-SG 2.92Å
752A74.3Confident73.8Confident31 Ų3164.1 Ų64.126%0.25637%0.369SS..  trans-60.6144.8173.400000110.3V738 T743 V744 V745V738-A752 HydrophobicContact CG2-CB 4.16Å; V738-A752 WeakPolarHBondContact CG2-O 3.06Å; T743-A752 HydrophobicContact CG2-CB 4.44Å; V744-A752 WeakPolarHBondContact O-CA 3.24Å; V745-A752 HydrophobicContact CG2-CB 4.1Å
753R80.1Confident73.2Confident136 Ų13667.2 Ų67.251%0.51339%0.389SS..EExtended strand (participates in β ladder)trans-123.2148.1173-69.5-176163.4156.410.5109.8T743 V744 E749 V755T743-R753 WeakPolarHBondContact CA-O 3.25Å; V744-R753 PolarHBondContact N-O 3.47Å; V744-R753 PolarHBondContact O-N 3.4Å; E749-R753 VanDerWaalsContact CD-NH2 3.35Å; E749-R753 IonicContact OE1-CZ 3.08Å; E749-R753 IonicContact OE1-NH1 2.73Å; E749-R753 PolarHBondContact OE1-NH1 2.8Å; E749-R753 IonicContact OE1-NH2 2.91Å; E749-R753 PolarHBondContact OE1-NH2 2.76Å; E749-R753 IonicContact OE2-CZ 2.83Å; E749-R753 IonicContact OE2-NE 3.75Å; E749-R753 PolarHBondContact OE2-NE 3.34Å; E749-R753 IonicContact OE2-NH1 2.96Å; E749-R753 PolarHBondContact OE2-NH1 2.03Å; E749-R753 IonicContact OE2-NH2 3.12Å; E749-R753 PolarHBondContact OE2-NH2 3.01Å; E749-R753 VanDerWaalsContact OE2-NH2 3.12Å; R753-V755 PolarHBondContact O-N 2.73Å
754C78.7Confident72.8Confident72 Ų7267.5 Ų67.549%0.48639%0.39SS..EExtended strand (participates in β ladder)trans-66.6132.2171.5-56.50000110V738 C740V738-C754 WeakPolarHBondContact CG1-SG 3.43Å; C740-C754 HydrophobicContact CB-CB 3.66Å; C740-C754 WeakPolarHBondContact CB-SG 3.04Å; C740-C754 WeakPolarHBondContact SG-CA 3.36Å; C740-C754 WeakPolarHBondContact SG-CB 3.43Å; C740-C754 CovalentContact SG-SG 2.02Å; C740-C754 PolarHBondContact SG-SG 2.84Å
755V79.2Confident71.9Confident26 Ų2674.7 Ų74.716%0.15841%0.414CS..  trans-117149.1166.6-71.80000109.9F742 V744 R753 A761F742-V755 HydrophobicContact CB-CG2 3.78Å; F742-V755 WeakPolarHBondContact CB-O 3.29Å; F742-V755 PolarHBondContact O-N 2.76Å; V744-V755 HydrophobicContact CB-CG1 3.98Å; V744-V755 HydrophobicContact CB-CG2 4.35Å; V744-V755 HydrophobicContact CG1-CG1 3.35Å; R753-V755 PolarHBondContact O-N 2.73Å; V755-A761 HydrophobicContact CG2-CB 3.81Å
756T75Confident71.2Confident141 Ų14176 Ų7687%0.86542%0.419SS*.SBendtrans-90.6-23.9174.950.50000111.8P758T756-P758 WeakPolarHBondContact O-CD 3.01Å
757D77.5Confident70.7Confident59 Ų5977.1 Ų77.132%0.31642%0.423SS..  trans-91113.2178.2-173.2-6.9000110.6C759 Q760D757-C759 PolarHBondContact O-N 3.31Å; D757-C759 VanDerWaalsContact OD1-CB 3.31Å; D757-C759 WeakPolarHBondContact OD1-CB 3.33Å; D757-C759 PolarHBondContact OD1-N 2.96Å; D757-Q760 HydrophobicContact CB-CB 4.47Å; D757-Q760 HydrophobicContact CB-CG 4.1Å; D757-Q760 PolarHBondContact O-N 3.04Å; D757-Q760 VanDerWaalsContact O-N 3.16Å
758P73.2Confident70.7Confident5 Ų574.1 Ų74.13%0.03241%0.412CS..G310 helixtrans-61.5-23.5177.723.3-31.9000112.9F742 T756 Q760 A761 I764 K799 H802F742-P758 HydrophobicContact CD1-CB 3.94Å; F742-P758 HydrophobicContact CD2-CB 4.47Å; F742-P758 HydrophobicContact CE1-CB 3.68Å; F742-P758 HydrophobicContact CE2-CB 4.25Å; F742-P758 HydrophobicContact CG-CB 4.34Å; F742-P758 HydrophobicContact CZ-CB 3.85Å; F742-P758 HydrophobicContact CZ-CG 4.42Å; T756-P758 WeakPolarHBondContact O-CD 3.01Å; P758-Q760 VanDerWaalsContact C-N 3.28Å; P758-Q760 PolarHBondContact O-N 3.43Å; P758-A761 PolarHBondContact O-N 3.04Å; P758-I764 WeakPolarHBondContact O-CD1 3.4Å; P758-K799 HydrophobicContact CB-CB 4.4Å; P758-K799 WeakPolarHBondContact O-CD 3.28Å; P758-H802 HydrophobicContact CG-CB 3.77Å
759C75.4Confident71.1Confident48 Ų4875.2 Ų75.232%0.32440%0.402SS..G310 helixtrans-71.1-25.4179.6-620000113.2D757 C804D757-C759 PolarHBondContact O-N 3.31Å; D757-C759 VanDerWaalsContact OD1-CB 3.31Å; D757-C759 WeakPolarHBondContact OD1-CB 3.33Å; D757-C759 PolarHBondContact OD1-N 2.96Å; C759-C804 WeakPolarHBondContact CA-SG 3.43Å; C759-C804 HydrophobicContact CB-CB 3.58Å; C759-C804 WeakPolarHBondContact CB-SG 3.37Å; C759-C804 WeakPolarHBondContact SG-CA 3.39Å; C759-C804 WeakPolarHBondContact SG-CB 2.98Å; C759-C804 CovalentContact SG-SG 2.03Å; C759-C804 PolarHBondContact SG-SG 3.01Å
760Q73.3Confident71.1Confident123 Ų12375.8 Ų75.858%0.57540%0.403SS*.G310 helixtrans-89-6.7178.4-60.9-177.910.200113.2V744 D757 P758V744-Q760 WeakPolarHBondContact CB-O 3.49Å; V744-Q760 WeakPolarHBondContact CG2-O 3.2Å; D757-Q760 HydrophobicContact CB-CB 4.47Å; D757-Q760 HydrophobicContact CB-CG 4.1Å; D757-Q760 PolarHBondContact O-N 3.04Å; D757-Q760 VanDerWaalsContact O-N 3.16Å; P758-Q760 VanDerWaalsContact C-N 3.28Å; P758-Q760 PolarHBondContact O-N 3.43Å
761A72Confident71.6Confident2 Ų276 Ų762%0.01740%0.403CS..  trans-84.4133.5-174.800000112.9F742 T743 V755 P758 I764 K799F742-A761 HydrophobicContact CB-CB 3.79Å; T743-A761 WeakPolarHBondContact O-CA 3.01Å; V755-A761 HydrophobicContact CG2-CB 3.81Å; P758-A761 PolarHBondContact O-N 3.04Å; A761-I764 HydrophobicContact CB-CD1 4.12Å; A761-I764 HydrophobicContact CB-CG1 3.8Å; A761-K799 PolarHBondContact O-NZ 3.36Å
762D64.9Low71.9Confident107 Ų10775 Ų7557%0.57240%0.396SS*.SBendtrans-79.6-33.9174.6-62.6-43.4000111.6T743 V744 V745T743-D762 PolarHBondContact O-N 2.86Å; V744-D762 WeakPolarHBondContact CG2-OD2 3.48Å; V745-D762 PolarHBondContact N-OD2 3.44Å
763T59.6Low72.4Confident84 Ų8479.7 Ų79.752%0.51541%0.414SS..EExtended strand (participates in β ladder)trans-123.6125.3-178.517.40000109.7T743T743-T763 PolarHBondContact O-N 2.82Å; T743-T763 PolarHBondContact OG1-OG1 2.73Å
764I66.1Low72.4Confident32 Ų3273.7 Ų73.716%0.16439%0.393CS..EExtended strand (participates in β ladder)trans-134.8129.3-174.9-56.7176.5000108.4F742 P758 A761 N766 K799F742-I764 HydrophobicContact CD1-CG1 4.34Å; F742-I764 HydrophobicContact CD1-CG2 4.12Å; F742-I764 HydrophobicContact CE1-CG2 4.04Å; P758-I764 WeakPolarHBondContact O-CD1 3.4Å; A761-I764 HydrophobicContact CB-CD1 4.12Å; A761-I764 HydrophobicContact CB-CG1 3.8Å; I764-N766 PolarHBondContact O-N 2.97Å; I764-K799 HydrophobicContact CD1-CB 3.8Å; I764-K799 HydrophobicContact CD1-CD 3.28Å; I764-K799 VanDerWaalsContact CD1-CE 3.45Å; I764-K799 HydrophobicContact CD1-CG 3.55Å
765R62.6Low72.4Confident176 Ų17676.1 Ų76.166%0.66440%0.397SS*.  trans-7695.6169.5-161.8176.5-174.1-176.60.1108.1N767 N800R765-N767 PolarHBondContact O-N 3.12Å; R765-N767 VanDerWaalsContact O-N 3.08Å; R765-N800 PolarHBondContact O-ND2 2.8Å; R765-N800 PolarHBondContact O-OD1 3.07Å
766N60.6Low72.2Confident92 Ų9280.8 Ų80.849%0.49242%0.417SS..  trans-59.4113.4-179.7-74.7-33.6000110.6I764 S782I764-N766 PolarHBondContact O-N 2.97Å; N766-S782 PolarHBondContact OD1-OG 2.86Å
767N65.3Low72.4Confident63 Ų6375.9 Ų75.934%0.33739%0.394SS..  trans-96103.5174.2-170.9-16.3000108.7R765 T769 K770 N800R765-N767 PolarHBondContact O-N 3.12Å; R765-N767 VanDerWaalsContact O-N 3.08Å; N767-T769 VanDerWaalsContact CG-OG1 3.25Å; N767-T769 PolarHBondContact ND2-OG1 3.24Å; N767-T769 PolarHBondContact O-N 2.04Å; N767-T769 WeakPolarHBondContact OD1-CB 3.4Å; N767-T769 PolarHBondContact OD1-N 3.24Å; N767-T769 VanDerWaalsContact OD1-N 3.15Å; N767-T769 PolarHBondContact OD1-OG1 3.21Å; N767-K770 PolarHBondContact O-N 3.37Å; N767-N800 PolarHBondContact N-OD1 3.4Å
768I62.5Low72.6Confident139 Ų13976.9 Ų76.971%0.71340%0.399SS*.THydrogen-bonded Turntrans-60.2-14.7-178.559169.9000113.9
769T69.6Low73.1Confident110 Ų11083.1 Ų83.168%0.67543%0.427SS*.THydrogen-bonded Turntrans-78.7-20.5175660000113.1N767N767-T769 VanDerWaalsContact CG-OG1 3.25Å; N767-T769 PolarHBondContact ND2-OG1 3.24Å; N767-T769 PolarHBondContact O-N 2.04Å; N767-T769 WeakPolarHBondContact OD1-CB 3.4Å; N767-T769 PolarHBondContact OD1-N 3.24Å; N767-T769 VanDerWaalsContact OD1-N 3.15Å; N767-T769 PolarHBondContact OD1-OG1 3.21Å
770K75.1Confident73.4Confident81 Ų8184.5 Ų84.535%0.35243%0.426SS..  trans-93.1131.6177.5-64.4-167.9-179.3173.70109.8E741 N767 S782 N800E741-K770 IonicContact OE1-NZ 3.92Å; N767-K770 PolarHBondContact O-N 3.37Å; K770-S782 PolarHBondContact O-N 3.02Å; K770-N800 HydrophobicContact CD-CB 4.21Å; K770-N800 WeakPolarHBondContact CD-O 3.42Å
771T83.1Confident73.7Confident43 Ų4385.5 Ų85.526%0.26443%0.428SS..EExtended strand (participates in β ladder)trans-127.7151.6-179.452.70000109.7Q779 R780 F781T771-Q779 HydrophobicContact CG2-CG 4.02Å; T771-Q779 PolarHBondContact OG1-NE2 3.42Å; T771-R780 CarbonylContact C-O 3.59Å; T771-R780 VanDerWaalsContact CA-O 3.32Å; T771-R780 WeakPolarHBondContact CA-O 3.03Å; T771-R780 WeakPolarHBondContact CB-O 3.3Å; T771-F781 HydrophobicContact CG2-CD1 3.9Å; T771-F781 HydrophobicContact CG2-CE1 4.26Å
772C83Confident74Confident4 Ų486 Ų863%0.02743%0.432CS..EExtended strand (participates in β ladder)trans-110.1149.5173.1-49.10000109.1R780 C798 G801 H802 I803C772-R780 PolarHBondContact N-O 3.03Å; C772-R780 PolarHBondContact O-N 2.63Å; C772-C798 HydrophobicContact CB-CB 3.62Å; C772-C798 WeakPolarHBondContact CB-SG 3.42Å; C772-C798 PolarHBondContact N-SG 3.3Å; C772-C798 WeakPolarHBondContact SG-CA 3.2Å; C772-C798 WeakPolarHBondContact SG-CB 3.34Å; C772-C798 CovalentContact SG-SG 2.03Å; C772-C798 PolarHBondContact SG-SG 2.82Å; C772-G801 VanDerWaalsContact SG-CA 3.53Å; C772-H802 PolarHBondContact SG-O 3.26Å; C772-H802 VanDerWaalsContact SG-O 3.34Å; C772-I803 HydrophobicContact CB-CD1 4.37Å; C772-I803 HydrophobicContact CB-CG1 3.7Å
773M84.3Confident74.4Confident130 Ų13082.3 Ų82.364%0.6442%0.419SS*.EExtended strand (participates in β ladder)trans-104.7118.6176.5-166.7171.4-171.200108.6G777 I803M773-G777 VanDerWaalsContact CE-CA 3.43Å; M773-G777 WeakPolarHBondContact CE-O 3.45Å; M773-I803 WeakPolarHBondContact O-CD1 3.39Å
774D80.5Confident75.4Confident11 Ų1180 Ų806%0.05941%0.406CS..  trans-73174.217875.816.6000112.2H776 G777 I778 R780 W786D774-H776 PolarHBondContact O-N 2.97Å; D774-H776 VanDerWaalsContact O-N 3.09Å; D774-H776 WeakPolarHBondContact OD1-CA 3.31Å; D774-H776 WeakPolarHBondContact OD1-CB 3.18Å; D774-H776 PolarHBondContact OD1-N 3.46Å; D774-G777 PolarHBondContact O-N 2.97Å; D774-G777 PolarHBondContact OD1-N 3.13Å; D774-I778 PolarHBondContact N-O 2.75Å; D774-I778 WeakPolarHBondContact OD1-CB 3.2Å; D774-I778 PolarHBondContact OD1-N 3.45Å; D774-I778 WeakPolarHBondContact OD2-CB 3.18Å; D774-R780 HydrophobicContact CB-CG 4.19Å; D774-R780 IonicContact OD2-CZ 3.96Å; D774-R780 IonicContact OD2-NE 2.95Å; D774-R780 PolarHBondContact OD2-NE 2.91Å; D774-R780 IonicContact OD2-NH2 3.42Å; D774-R780 PolarHBondContact OD2-NH2 2.85Å; D774-W786 HydrophobicContact CB-CZ2 4.03Å
775E77Confident76.3Confident123 Ų12382 Ų8258%0.57542%0.423SS*.THydrogen-bonded Turntrans-62.7-16.2-177.5-61.4-176.9154.100113.7K788E775-K788 WeakPolarHBondContact OE1-CE 3.27Å; E775-K788 IonicContact OE1-NZ 3.59Å
776H76.6Confident77.4Confident123 Ų12375.1 Ų75.157%0.56940%0.397SS*.THydrogen-bonded Turntrans-96.96.3175.1-64.786.4000112.7D774 I778 H789D774-H776 PolarHBondContact O-N 2.97Å; D774-H776 VanDerWaalsContact O-N 3.09Å; D774-H776 WeakPolarHBondContact OD1-CA 3.31Å; D774-H776 WeakPolarHBondContact OD1-CB 3.18Å; D774-H776 PolarHBondContact OD1-N 3.46Å; H776-I778 VanDerWaalsContact C-N 3.28Å; H776-I778 HydrophobicContact CB-CD1 4.22Å; H776-I778 HydrophobicContact CB-CG1 4.21Å; H776-I778 PolarHBondContact O-N 3Å; H776-H789 AromaticContact CE1-CG 3.64Å; H776-H789 AromaticContact CE1-ND1 3.77Å; H776-H789 AromaticContact NE2-ND1 3.99Å
777G78.4Confident78.4Confident38 Ų3874.9 Ų74.939%0.39240%0.399SS..SBendtrans74.715.8-177.500000114M773 D774M773-G777 VanDerWaalsContact CE-CA 3.43Å; M773-G777 WeakPolarHBondContact CE-O 3.45Å; D774-G777 PolarHBondContact O-N 2.97Å; D774-G777 PolarHBondContact OD1-N 3.13Å
778I81.8Confident79.1Confident80 Ų8075.4 Ų75.441%0.4140%0.398SS..  trans-83129.2176.9-54169.7000108.3D774 H776 R780D774-I778 PolarHBondContact N-O 2.75Å; D774-I778 WeakPolarHBondContact OD1-CB 3.2Å; D774-I778 PolarHBondContact OD1-N 3.45Å; D774-I778 WeakPolarHBondContact OD2-CB 3.18Å; H776-I778 VanDerWaalsContact C-N 3.28Å; H776-I778 HydrophobicContact CB-CD1 4.22Å; H776-I778 HydrophobicContact CB-CG1 4.21Å; H776-I778 PolarHBondContact O-N 3Å; I778-R780 PolarHBondContact O-N 2.05Å
779Q84Confident79.5Confident136 Ų13674.4 Ų74.464%0.63639%0.39SS*.EExtended strand (participates in β ladder)trans-79119.2177.5-162.11718.500109.9T771T771-Q779 HydrophobicContact CG2-CG 4.02Å; T771-Q779 PolarHBondContact OG1-NE2 3.42Å
780R80.8Confident79.3Confident78 Ų7874.8 Ų74.829%0.29440%0.397SS..EExtended strand (participates in β ladder)trans-110.6128.4-174.6-65-63-178.5174.10.6109.1T771 C772 D774 I778 S784 W786 C798T771-R780 CarbonylContact C-O 3.59Å; T771-R780 VanDerWaalsContact CA-O 3.32Å; T771-R780 WeakPolarHBondContact CA-O 3.03Å; T771-R780 WeakPolarHBondContact CB-O 3.3Å; C772-R780 PolarHBondContact N-O 3.03Å; C772-R780 PolarHBondContact O-N 2.63Å; D774-R780 HydrophobicContact CB-CG 4.19Å; D774-R780 IonicContact OD2-CZ 3.96Å; D774-R780 IonicContact OD2-NE 2.95Å; D774-R780 PolarHBondContact OD2-NE 2.91Å; D774-R780 IonicContact OD2-NH2 3.42Å; D774-R780 PolarHBondContact OD2-NH2 2.85Å; I778-R780 PolarHBondContact O-N 2.05Å; R780-S784 WeakPolarHBondContact CB-OG 3.48Å; R780-W786 HydrophobicContact CB-CE3 4.49Å; R780-W786 HydrophobicContact CB-CH2 4.46Å; R780-W786 HydrophobicContact CB-CZ3 3.99Å; R780-W786 HydrophobicContact CG-CE3 4.12Å; R780-W786 HydrophobicContact CG-CH2 4.42Å; R780-W786 HydrophobicContact CG-CZ3 4.01Å; R780-C798 HydrophobicContact CB-CB 4.46Å
781F80.4Confident79.2Confident143 Ų14373.3 Ų73.363%0.62740%0.395SS*.EExtended strand (participates in β ladder)trans-71.2150.1178.2-63.9-75.2000111.5T771 G783 S784T771-F781 HydrophobicContact CG2-CD1 3.9Å; T771-F781 HydrophobicContact CG2-CE1 4.26Å; F781-G783 PolarHBondContact O-N 2.91Å; F781-S784 PolarHBondContact N-OG 3Å; F781-S784 WeakPolarHBondContact O-CB 3.28Å; F781-S784 PolarHBondContact O-N 2.91Å; F781-S784 PolarHBondContact O-OG 3.49Å
782S77.2Confident78.7Confident14 Ų1480 Ų8010%0.09842%0.424CS..THydrogen-bonded Turntrans-54.5126.4171.8-170.50000110.9N766 K770 N800N766-S782 PolarHBondContact OD1-OG 2.86Å; K770-S782 PolarHBondContact O-N 3.02Å; S782-N800 WeakPolarHBondContact OG-CA 2.96Å; S782-N800 PolarHBondContact OG-N 2.99Å; S782-N800 PolarHBondContact OG-OD1 2.94Å; S782-N800 VanDerWaalsContact OG-OD1 3.09Å
783G73.3Confident78.5Confident28 Ų2881.2 Ų81.229%0.28943%0.431SS..THydrogen-bonded Turntrans105-20.9-173.800000114.3F781 Q797 C798F781-G783 PolarHBondContact O-N 2.91Å; G783-Q797 PolarHBondContact O-NE2 3.18Å; G783-C798 PolarHBondContact N-O 2.8Å
784S80.4Confident78.5Confident36 Ų3675.7 Ų75.725%0.25241%0.405SS..  trans-72.9138.1-179.660.40000112.6R780 F781 W786 Q797 C798R780-S784 WeakPolarHBondContact CB-OG 3.48Å; F781-S784 PolarHBondContact N-OG 3Å; F781-S784 WeakPolarHBondContact O-CB 3.28Å; F781-S784 PolarHBondContact O-N 2.91Å; F781-S784 PolarHBondContact O-OG 3.49Å; S784-W786 WeakPolarHBondContact O-CZ3 3.05Å; S784-Q797 CarbonylContact O-C 3.44Å; S784-Q797 WeakPolarHBondContact O-CA 3.05Å; S784-Q797 WeakPolarHBondContact O-CG 3.35Å; S784-C798 PolarHBondContact O-N 2.91Å
785S85.3Confident78.7Confident73 Ų7379.2 Ų79.251%0.5142%0.423SS..EExtended strand (participates in β ladder)trans-117.5148.6175.756.30000111.7C796S785-C796 CarbonylContact C-O 3.6Å; S785-C796 WeakPolarHBondContact CA-O 3.35Å
786W86.2Confident79.1Confident32 Ų3273.5 Ų73.512%0.12140%0.397CS..EExtended strand (participates in β ladder)trans-151.2152178.765.196.8000110.7D774 R780 S784 C796 C798 I803D774-W786 HydrophobicContact CB-CZ2 4.03Å; R780-W786 HydrophobicContact CB-CE3 4.49Å; R780-W786 HydrophobicContact CB-CH2 4.46Å; R780-W786 HydrophobicContact CB-CZ3 3.99Å; R780-W786 HydrophobicContact CG-CE3 4.12Å; R780-W786 HydrophobicContact CG-CH2 4.42Å; R780-W786 HydrophobicContact CG-CZ3 4.01Å; S784-W786 WeakPolarHBondContact O-CZ3 3.05Å; W786-C796 HydrophobicContact CD2-CB 4.04Å; W786-C796 HydrophobicContact CG-CB 4.44Å; W786-C796 HydrophobicContact CH2-CB 4.39Å; W786-C796 HydrophobicContact CZ2-CB 3.75Å; W786-C796 PolarHBondContact N-O 2.94Å; W786-C796 PolarHBondContact O-N 2.82Å; W786-C798 HydrophobicContact CH2-CB 4.12Å; W786-C798 HydrophobicContact CZ3-CB 3.84Å; W786-I803 HydrophobicContact CH2-CG1 4.18Å; W786-I803 HydrophobicContact CH2-CG2 3.99Å; W786-I803 HydrophobicContact CZ2-CD1 4.41Å; W786-I803 HydrophobicContact CZ2-CG1 4.31Å; W786-I803 HydrophobicContact CZ2-CG2 3.68Å
787V81.9Confident79.5Confident88 Ų8871 Ų7153%0.53339%0.385SS..EExtended strand (participates in β ladder)trans-76.8131.6171.9-178.40000108.6T791 T794 L795V787-T791 WeakPolarHBondContact CG1-O 3.48Å; V787-T794 CarbonylContact C-O 3.51Å; V787-T794 WeakPolarHBondContact CA-O 3.34Å; V787-L795 HydrophobicContact CG2-CD1 4.42Å
788K79.8Confident79.7Confident73 Ų7369.1 Ų69.132%0.31737%0.367SS..PPolyproline II helixtrans-69138.3179-171.9-174.9-173.8-1760110E775 T791 T794E775-K788 WeakPolarHBondContact OE1-CE 3.27Å; E775-K788 IonicContact OE1-NZ 3.59Å; K788-T791 WeakPolarHBondContact CB-OG1 3.3Å; K788-T791 PolarHBondContact O-N 3.25Å; K788-T791 PolarHBondContact O-OG1 2.97Å; K788-T791 VanDerWaalsContact O-OG1 3.08Å; K788-T794 HydrophobicContact CB-CG2 3.94Å; K788-T794 HydrophobicContact CD-CG2 4.02Å; K788-T794 PolarHBondContact N-O 2.96Å
789H69.9Low79.7Confident118 Ų11866.9 Ų66.955%0.54635%0.354SS..THydrogen-bonded Turntrans-64.7143.2-176-166.668.3000111H776 T791H776-H789 AromaticContact CE1-CG 3.64Å; H776-H789 AromaticContact CE1-ND1 3.77Å; H776-H789 AromaticContact NE2-ND1 3.99Å; H789-T791 PolarHBondContact O-N 2.02Å
790S67.4Low79.2Confident119 Ų11960.5 Ų60.583%0.83232%0.324SS*.THydrogen-bonded Turntrans65.15-175.472.70000116.9
791T72.9Confident78.9Confident49 Ų4958.4 Ų58.430%0.30133%0.326SS..  trans-134.194.3175.550.50000109V787 K788 H789 C793 T794V787-T791 WeakPolarHBondContact CG1-O 3.48Å; K788-T791 WeakPolarHBondContact CB-OG1 3.3Å; K788-T791 PolarHBondContact O-N 3.25Å; K788-T791 PolarHBondContact O-OG1 2.97Å; K788-T791 VanDerWaalsContact O-OG1 3.08Å; H789-T791 PolarHBondContact O-N 2.02Å; T791-C793 PolarHBondContact O-N 2.77Å; T791-T794 WeakPolarHBondContact CB-OG1 3.42Å; T791-T794 PolarHBondContact O-N 3.25Å; T791-T794 WeakPolarHBondContact OG1-CB 3.48Å; T791-T794 PolarHBondContact OG1-OG1 2.03Å
792E72.2Confident79Confident185 Ų18556.4 Ų56.486%0.86432%0.319SS*.THydrogen-bonded Turntrans-60.7-15.7179-64.4-17316400112.8
793C78.8Confident79.4Confident28 Ų2859.4 Ų59.419%0.18933%0.333CS..THydrogen-bonded Turntrans-106.96-174.7-57.20000114.9T791 V807 D808 C811T791-C793 PolarHBondContact O-N 2.77Å; C793-V807 WeakPolarHBondContact O-CA 3.08Å; C793-D808 PolarHBondContact O-N 2.91Å; C793-C811 WeakPolarHBondContact CA-SG 3.05Å; C793-C811 HydrophobicContact CB-CB 3.45Å; C793-C811 VanDerWaalsContact CB-CB 3.45Å; C793-C811 WeakPolarHBondContact CB-SG 3.46Å; C793-C811 WeakPolarHBondContact SG-CB 3.27Å; C793-C811 PolarHBondContact SG-O 3.27Å; C793-C811 CovalentContact SG-SG 2.04Å; C793-C811 PolarHBondContact SG-SG 3.32Å
794T83.6Confident79.9Confident15 Ų1558.8 Ų58.89%0.09232%0.324CS..EExtended strand (participates in β ladder)trans-114.2117.4-178.7-53.80000110.5V787 K788 T791 C805 S806 V807V787-T794 CarbonylContact C-O 3.51Å; V787-T794 WeakPolarHBondContact CA-O 3.34Å; K788-T794 HydrophobicContact CB-CG2 3.94Å; K788-T794 HydrophobicContact CD-CG2 4.02Å; K788-T794 PolarHBondContact N-O 2.96Å; T791-T794 WeakPolarHBondContact CB-OG1 3.42Å; T791-T794 PolarHBondContact O-N 3.25Å; T791-T794 WeakPolarHBondContact OG1-CB 3.48Å; T791-T794 PolarHBondContact OG1-OG1 2.03Å; T794-C805 HydrophobicContact CG2-CB 3.99Å; T794-S806 CarbonylContact C-O 3.58Å; T794-S806 WeakPolarHBondContact CA-O 3.25Å; T794-V807 HydrophobicContact CG2-CG2 4.14Å
795L84.7Confident80.2Confident84 Ų8460.1 Ų60.144%0.4433%0.333SS..EExtended strand (participates in β ladder)trans-101.6120.6177.2-174.972.6000109.2V787 C805 S806V787-L795 HydrophobicContact CG2-CD1 4.42Å; L795-C805 CarbonylContact O-C 3.55Å; L795-C805 VanDerWaalsContact O-CA 3.29Å; L795-C805 WeakPolarHBondContact O-CA 2.94Å; L795-S806 PolarHBondContact N-O 3.28Å; L795-S806 PolarHBondContact O-N 2.87Å
796C86.1Confident80Confident3 Ų360.3 Ų60.32%0.0233%0.334CS..EExtended strand (participates in β ladder)trans-102145.9173.6-64.90000110.8S785 W786 I803 C804 C805S785-C796 CarbonylContact C-O 3.6Å; S785-C796 WeakPolarHBondContact CA-O 3.35Å; W786-C796 HydrophobicContact CD2-CB 4.04Å; W786-C796 HydrophobicContact CG-CB 4.44Å; W786-C796 HydrophobicContact CH2-CB 4.39Å; W786-C796 HydrophobicContact CZ2-CB 3.75Å; W786-C796 PolarHBondContact N-O 2.94Å; W786-C796 PolarHBondContact O-N 2.82Å; C796-I803 HydrophobicContact CB-CG2 4.18Å; C796-C804 CarbonylContact C-O 3.52Å; C796-C804 WeakPolarHBondContact CA-O 3.02Å; C796-C805 HydrophobicContact CB-CB 4.08Å; C796-C805 WeakPolarHBondContact CB-SG 3.42Å; C796-C805 WeakPolarHBondContact SG-CB 3.47Å; C796-C805 CovalentContact SG-SG 2.04Å; C796-C805 PolarHBondContact SG-SG 2.96Å
797Q85.3Confident79.8Confident70 Ų7062.2 Ų62.233%0.32735%0.349SS..EExtended strand (participates in β ladder)trans-134.2139.1174.8-167.9179.72000110.4G783 S784 K799 C804G783-Q797 PolarHBondContact O-NE2 3.18Å; S784-Q797 CarbonylContact O-C 3.44Å; S784-Q797 WeakPolarHBondContact O-CA 3.05Å; S784-Q797 WeakPolarHBondContact O-CG 3.35Å; Q797-K799 HydrophobicContact CG-CG 4.42Å; Q797-C804 PolarHBondContact N-O 3.37Å; Q797-C804 PolarHBondContact O-N 3.49Å
798C82.7Confident79.5Confident0 Ų062.1 Ų62.10%035%0.345CS..EExtended strand (participates in β ladder)trans-83.3117171179.20000109.8C772 R780 G783 S784 W786 H802C772-C798 HydrophobicContact CB-CB 3.62Å; C772-C798 WeakPolarHBondContact CB-SG 3.42Å; C772-C798 PolarHBondContact N-SG 3.3Å; C772-C798 WeakPolarHBondContact SG-CA 3.2Å; C772-C798 WeakPolarHBondContact SG-CB 3.34Å; C772-C798 CovalentContact SG-SG 2.03Å; C772-C798 PolarHBondContact SG-SG 2.82Å; R780-C798 HydrophobicContact CB-CB 4.46Å; G783-C798 PolarHBondContact N-O 2.8Å; S784-C798 PolarHBondContact O-N 2.91Å; W786-C798 HydrophobicContact CH2-CB 4.12Å; W786-C798 HydrophobicContact CZ3-CB 3.84Å; C798-H802 CarbonylContact C-O 3.57Å; C798-H802 WeakPolarHBondContact CA-O 3.34Å
799K80.3Confident79Confident32 Ų3263.4 Ų63.414%0.13936%0.362CS..EExtended strand (participates in β ladder)trans-120.1102.4177.9-72.6177.7158.2-163.50109.2P758 A761 I764 Q797 G801 H802 C804P758-K799 HydrophobicContact CB-CB 4.4Å; P758-K799 WeakPolarHBondContact O-CD 3.28Å; A761-K799 PolarHBondContact O-NZ 3.36Å; I764-K799 HydrophobicContact CD1-CB 3.8Å; I764-K799 HydrophobicContact CD1-CD 3.28Å; I764-K799 VanDerWaalsContact CD1-CE 3.45Å; I764-K799 HydrophobicContact CD1-CG 3.55Å; Q797-K799 HydrophobicContact CG-CG 4.42Å; K799-G801 VanDerWaalsContact C-N 3.28Å; K799-G801 PolarHBondContact O-N 3.43Å; K799-G801 VanDerWaalsContact O-N 3.15Å; K799-H802 PolarHBondContact N-O 2.77Å; K799-H802 PolarHBondContact O-N 3.12Å; K799-C804 HydrophobicContact CD-CB 4.08Å
800N74.5Confident78.8Confident3 Ų366 Ų662%0.01638%0.376CS..THydrogen-bonded Turntrans47.542.7178.5-78.1-5.3000114.7F742 R765 N767 K770 S782F742-N800 HydrophobicContact CE1-CB 4.28Å; F742-N800 HydrophobicContact CZ-CB 4.48Å; R765-N800 PolarHBondContact O-ND2 2.8Å; R765-N800 PolarHBondContact O-OD1 3.07Å; N767-N800 PolarHBondContact N-OD1 3.4Å; K770-N800 HydrophobicContact CD-CB 4.21Å; K770-N800 WeakPolarHBondContact CD-O 3.42Å; S782-N800 WeakPolarHBondContact OG-CA 2.96Å; S782-N800 PolarHBondContact OG-N 2.99Å; S782-N800 PolarHBondContact OG-OD1 2.94Å; S782-N800 VanDerWaalsContact OG-OD1 3.09Å
801G74.4Confident78.8Confident33 Ų3363.3 Ų63.334%0.3436%0.356SS..THydrogen-bonded Turntrans93.2-3.2179.300000115.1C772 K799C772-G801 VanDerWaalsContact SG-CA 3.53Å; K799-G801 VanDerWaalsContact C-N 3.28Å; K799-G801 PolarHBondContact O-N 3.43Å; K799-G801 VanDerWaalsContact O-N 3.15Å
802H81.7Confident78Confident102 Ų10269.6 Ų69.647%0.47239%0.387SS..EExtended strand (participates in β ladder)trans-106.2138.7174.5-63.4-94.9000111.2P758 C772 C798 K799P758-H802 HydrophobicContact CG-CB 3.77Å; C772-H802 PolarHBondContact SG-O 3.26Å; C772-H802 VanDerWaalsContact SG-O 3.34Å; C798-H802 CarbonylContact C-O 3.57Å; C798-H802 WeakPolarHBondContact CA-O 3.34Å; K799-H802 PolarHBondContact N-O 2.77Å; K799-H802 PolarHBondContact O-N 3.12Å
803I85.1Confident78.3Confident77 Ų7763.8 Ų63.840%0.39536%0.363SS..EExtended strand (participates in β ladder)trans-92115.4175.4-58171.8000108C772 M773 W786 C796C772-I803 HydrophobicContact CB-CD1 4.37Å; C772-I803 HydrophobicContact CB-CG1 3.7Å; M773-I803 WeakPolarHBondContact O-CD1 3.39Å; W786-I803 HydrophobicContact CH2-CG1 4.18Å; W786-I803 HydrophobicContact CH2-CG2 3.99Å; W786-I803 HydrophobicContact CZ2-CD1 4.41Å; W786-I803 HydrophobicContact CZ2-CG1 4.31Å; W786-I803 HydrophobicContact CZ2-CG2 3.68Å; C796-I803 HydrophobicContact CB-CG2 4.18Å
804C84.9Confident78.2Confident15 Ų1565.7 Ų65.710%0.10137%0.372CS..EExtended strand (participates in β ladder)trans-113.4114.9-178.9-55.50000108.6C759 C796 Q797 K799C759-C804 WeakPolarHBondContact CA-SG 3.43Å; C759-C804 HydrophobicContact CB-CB 3.58Å; C759-C804 WeakPolarHBondContact CB-SG 3.37Å; C759-C804 WeakPolarHBondContact SG-CA 3.39Å; C759-C804 WeakPolarHBondContact SG-CB 2.98Å; C759-C804 CovalentContact SG-SG 2.03Å; C759-C804 PolarHBondContact SG-SG 3.01Å; C796-C804 CarbonylContact C-O 3.52Å; C796-C804 WeakPolarHBondContact CA-O 3.02Å; Q797-C804 PolarHBondContact N-O 3.37Å; Q797-C804 PolarHBondContact O-N 3.49Å; K799-C804 HydrophobicContact CD-CB 4.08Å
805C85.9Confident77.9Confident64 Ų6468.5 Ų68.543%0.43239%0.388SS..EExtended strand (participates in β ladder)trans-113.8131.6-178.3-52.60000111T794 L795 C796T794-C805 HydrophobicContact CG2-CB 3.99Å; L795-C805 CarbonylContact O-C 3.55Å; L795-C805 VanDerWaalsContact O-CA 3.29Å; L795-C805 WeakPolarHBondContact O-CA 2.94Å; C796-C805 HydrophobicContact CB-CB 4.08Å; C796-C805 WeakPolarHBondContact CB-SG 3.42Å; C796-C805 WeakPolarHBondContact SG-CB 3.47Å; C796-C805 CovalentContact SG-SG 2.04Å; C796-C805 PolarHBondContact SG-SG 2.96Å
806S81.5Confident77.5Confident76 Ų7667.6 Ų67.653%0.53139%0.385SS..EExtended strand (participates in β ladder)trans-112.8147.4170.357.90000110.1T794 L795T794-S806 CarbonylContact C-O 3.58Å; T794-S806 WeakPolarHBondContact CA-O 3.25Å; L795-S806 PolarHBondContact N-O 3.28Å; L795-S806 PolarHBondContact O-N 2.87Å
807V82.9Confident77Confident73 Ų7371.6 Ų71.644%0.44241%0.408SS..EExtended strand (participates in β ladder)trans-104.9129.7175.1-175.70000107.2C793 T794 P809 L812C793-V807 WeakPolarHBondContact O-CA 3.08Å; T794-V807 HydrophobicContact CG2-CG2 4.14Å; V807-P809 VanDerWaalsContact O-CD 3.22Å; V807-P809 WeakPolarHBondContact O-CD 3.42Å; V807-L812 HydrophobicContact CG1-CD1 3.61Å; V807-L812 HydrophobicContact CG1-CG 4.12Å
808D74.9Confident76.5Confident85 Ų8571.7 Ų71.746%0.45541%0.413SS..  trans-76.4111.6171.7-174.7-12.7000108.9C793 M810 C811C793-D808 PolarHBondContact O-N 2.91Å; D808-M810 PolarHBondContact O-N 2.97Å; D808-M810 PolarHBondContact OD1-N 3.36Å; D808-C811 HydrophobicContact CB-CB 3.96Å; D808-C811 PolarHBondContact O-N 3.13Å; D808-C811 VanDerWaalsContact O-N 3.13Å
809P68.8Low76Confident101 Ų10176.9 Ų76.966%0.65644%0.442SS*.THydrogen-bonded Turntrans-69.7-13.5-178.229.7-34.4000113.4V807V807-P809 VanDerWaalsContact O-CD 3.22Å; V807-P809 WeakPolarHBondContact O-CD 3.42Å
810M66.4Low75.7Confident173 Ų17380.3 Ų80.385%0.85247%0.466SS*.THydrogen-bonded Turntrans-86.1-9.4173-62.7-142.2-6100113.4D808D808-M810 PolarHBondContact O-N 2.97Å; D808-M810 PolarHBondContact OD1-N 3.36Å
811C67Low75.8Confident62 Ų6286.8 Ų86.842%0.41950%0.503SS..THydrogen-bonded Turntrans-95.9-23.4177.8-176.30000112.2C793 D808C793-C811 WeakPolarHBondContact CA-SG 3.05Å; C793-C811 HydrophobicContact CB-CB 3.45Å; C793-C811 VanDerWaalsContact CB-CB 3.45Å; C793-C811 WeakPolarHBondContact CB-SG 3.46Å; C793-C811 WeakPolarHBondContact SG-CB 3.27Å; C793-C811 PolarHBondContact SG-O 3.27Å; C793-C811 CovalentContact SG-SG 2.04Å; C793-C811 PolarHBondContact SG-SG 3.32Å; D808-C811 HydrophobicContact CB-CB 3.96Å; D808-C811 PolarHBondContact O-N 3.13Å; D808-C811 VanDerWaalsContact O-N 3.13Å
812L55.7Low75.9Confident180 Ų18091.6 Ų91.694%0.94252%0.518SS*.  trans-71.70164.6-80.5165.6000111V807V807-L812 HydrophobicContact CG1-CD1 3.61Å; V807-L812 HydrophobicContact CG1-CG 4.12Å

Retrieved 812 of 812 residues in 4266.9 ms (Link to these results)

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