A0A087Y305_POEFO Loading...

Antizyme inhibitor 1b

Catalyzes the first and rate-limiting step of polyamine biosynthesis that converts ornithine into putrescine, which is the precursor for the polyamines, spermidine and spermine. Polyamines are essential for cell proliferation and are implicated in cellular processes, ranging from DNA replication to apoptosis.

AlphaFold DB , UniProt , Accession A0A087Y305, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 435 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M32.7Very low48.7Very low242 Ų242137.1 Ų137.1100%1.19271%0.713SS**  01240-77.5160.973.700106.8G3M1-G3 PolarHBondContact O-N 2.77Å
2K31.3Very low51.9Low211 Ų211125.8 Ų125.892%0.91765%0.654SS**  trans-62.3115.5179.3-76.1175.8171.6-179.10108
3G31.5Very low54.8Low73 Ų73118.5 Ų118.575%0.75362%0.615SS**PPolyproline II helixtrans-66.3132.317400000109.2M1M1-G3 PolarHBondContact O-N 2.77Å
4F31.3Very low57.3Low192 Ų192111.1 Ų111.184%0.84258%0.577SS**PPolyproline II helixtrans-58.5141.7163.4-71.7-93.6000108D6F4-D6 PolarHBondContact O-N 3.17Å
5P39.5Very low59.5Low122 Ų122104.6 Ų104.679%0.79254%0.543SS*.PPolyproline II helixtrans-59.5125.7170.525.3-30.4000107.8K7P5-K7 PolarHBondContact O-N 2.88Å
6D43.6Very low61.2Low158 Ų158103.2 Ų103.285%0.84553%0.533SS*.PPolyproline II helixtrans-53.6135.5175.5-78.3-39.8000108.8F4F4-D6 PolarHBondContact O-N 3.17Å
7K42.7Very low62.3Low182 Ų182102.5 Ų102.579%0.79156%0.557SS**PPolyproline II helixtrans-59.2141173.2-78.2-179.8176-1780108.2P5 N9P5-K7 PolarHBondContact O-N 2.88Å; K7-N9 PolarHBondContact O-N 3.1Å
8P52.2Low63.3Low57 Ų57100.6 Ų100.637%0.3757%0.565SS.*PPolyproline II helixtrans-58.1132.617416.3-20.7000109.4Y10 N427 S429P8-Y10 VanDerWaalsContact C-N 3.35Å; P8-N427 CarbonylContact C-O 3.56Å; P8-N427 WeakPolarHBondContact CA-O 3.15Å; P8-N427 VanDerWaalsContact CB-O 3.26Å; P8-N427 WeakPolarHBondContact CB-O 3.14Å; P8-S429 WeakPolarHBondContact CG-OG 3.28Å
9N69Low64.6Low110 Ų11097 Ų9759%0.58855%0.546SS*.SBendtrans-79.2-19.2-173.6-72.8-30.1000112.6K7 N427K7-N9 PolarHBondContact O-N 3.1Å; N9-N427 HydrophobicContact CB-CB 4.45Å; N9-N427 PolarHBondContact N-O 2.84Å
10Y77.9Confident65.8Low61 Ų6195.4 Ų95.424%0.23954%0.538CS..EExtended strand (participates in β ladder)trans-133132.3-175.6-55-72.3000111.7P8 P74 Y404 N427 F428 S429P8-Y10 VanDerWaalsContact C-N 3.35Å; Y10-P74 HydrophobicContact CE2-CB 3.83Å; Y10-P74 VanDerWaalsContact OH-CB 3.27Å; Y10-P74 WeakPolarHBondContact OH-CB 3.23Å; Y10-P74 WeakPolarHBondContact OH-CG 3.43Å; Y10-Y404 HydrophobicContact CD1-CE2 4.19Å; Y10-N427 HydrophobicContact CD2-CB 4.32Å; Y10-N427 PolarHBondContact N-O 3Å; Y10-N427 VanDerWaalsContact N-O 3.13Å; Y10-F428 HydrophobicContact CD2-CE1 4.49Å; Y10-F428 HydrophobicContact CG-CE1 4.45Å; Y10-F428 WeakPolarHBondContact O-CA 3.35Å; Y10-S429 PolarHBondContact O-N 2.66Å
11I84.3Confident66.9Low100 Ų10093.1 Ų93.151%0.51352%0.524SS..EExtended strand (participates in β ladder)trans-93.9128172-64172.4000107.4S429 L431I11-S429 WeakPolarHBondContact CA-O 3.32Å; I11-L431 HydrophobicContact CD1-CD1 4.36Å; I11-L431 HydrophobicContact CG2-CB 4.37Å; I11-L431 HydrophobicContact CG2-CD1 3.58Å; I11-L431 HydrophobicContact CG2-CG 3.99Å
12I86.5Confident69.7Low1 Ų188.3 Ų88.31%0.00550%0.499CS..EExtended strand (participates in β ladder)trans-109.4127.4170.2-53171.8000108.1L45 Y404 I406 F428 S429 V430 L431I12-L45 HydrophobicContact CD1-CD1 3.65Å; I12-L45 HydrophobicContact CG1-CD1 3.89Å; I12-L45 HydrophobicContact CG2-CD1 4.39Å; I12-Y404 CarbonylContact C-O 3.16Å; I12-Y404 WeakPolarHBondContact CA-O 3.25Å; I12-I406 HydrophobicContact CG2-CB 4.07Å; I12-I406 HydrophobicContact CG2-CG2 3.55Å; I12-F428 HydrophobicContact CD1-CB 3.81Å; I12-F428 HydrophobicContact CD1-CD1 3.22Å; I12-F428 HydrophobicContact CD1-CD2 4.34Å; I12-F428 HydrophobicContact CD1-CE1 3.68Å; I12-F428 HydrophobicContact CD1-CG 3.55Å; I12-F428 HydrophobicContact CD1-CZ 4.37Å; I12-F428 HydrophobicContact CG1-CB 4.39Å; I12-F428 HydrophobicContact CG1-CD1 3.45Å; I12-F428 VanDerWaalsContact CG1-CD1 3.45Å; I12-F428 HydrophobicContact CG1-CE1 3.93Å; I12-F428 HydrophobicContact CG1-CG 4.19Å; I12-S429 PolarHBondContact N-O 2.84Å; I12-V430 WeakPolarHBondContact O-CA 2.93Å; I12-L431 PolarHBondContact O-N 2.9Å
13E90.2Very high72.5Confident31 Ų3181.7 Ų81.715%0.14547%0.474CS..EExtended strand (participates in β ladder)trans-85.1116.5173.4-64.2176.5175.100110.2V24 H28 Y404 T405 I406 Y433E13-V24 WeakPolarHBondContact OE2-CG1 3.43Å; E13-H28 IonicContact OE1-CE1 2.89Å; E13-H28 PolarHBondContact OE1-CE1 3.34Å; E13-H28 IonicContact OE1-NE2 3.65Å; E13-H28 PolarHBondContact OE1-NE2 2.73Å; E13-H28 IonicContact OE2-NE2 2.54Å; E13-H28 PolarHBondContact OE2-NE2 2.97Å; E13-Y404 PolarHBondContact N-O 3.5Å; E13-T405 HydrophobicContact CB-CG2 4.24Å; E13-T405 CarbonylContact O-C 3.52Å; E13-T405 VanDerWaalsContact O-CA 3.27Å; E13-T405 WeakPolarHBondContact O-CA 3.48Å; E13-I406 PolarHBondContact O-N 3.42Å; E13-Y433 HydrophobicContact CB-CD2 4.06Å; E13-Y433 HydrophobicContact CG-CD2 4.19Å; E13-Y433 WeakPolarHBondContact OE2-CD2 3.46Å; E13-Y433 WeakPolarHBondContact OE2-CE2 3.35Å
14L89.5Confident75.4Confident16 Ų1678.2 Ų78.28%0.08444%0.438CS..EExtended strand (participates in β ladder)trans-83.8120.4177.2-173.166.9000110E16 I406 W411 V430 L431 Y433L14-E16 HydrophobicContact CD2-CG 4.33Å; L14-E16 WeakPolarHBondContact CD2-OE1 3.18Å; L14-E16 HydrophobicContact CG-CG 4.36Å; L14-I406 WeakPolarHBondContact CA-O 3.41Å; L14-I406 HydrophobicContact CD1-CG2 3.91Å; L14-W411 HydrophobicContact CD1-CB 4.02Å; L14-W411 HydrophobicContact CD1-CG 4.19Å; L14-V430 HydrophobicContact CB-CG1 3.62Å; L14-V430 HydrophobicContact CD1-CG1 4.36Å; L14-V430 HydrophobicContact CD2-CG1 4.11Å; L14-V430 HydrophobicContact CG-CG1 4.26Å; L14-L431 PolarHBondContact N-O 2.76Å; L14-Y433 WeakPolarHBondContact O-CB 3.44Å; L14-Y433 PolarHBondContact O-N 3.49Å; L14-Y433 VanDerWaalsContact O-N 3.12Å
15L90Very high78.3Confident13 Ų1369.4 Ų69.47%0.06840%0.399CS..EExtended strand (participates in β ladder)trans-89.3112.3179.7-43.5-177.1000109.6V19 V24 I406 T408 Y433L15-V19 HydrophobicContact CB-CB 4.37Å; L15-V19 HydrophobicContact CB-CG1 4.37Å; L15-V19 HydrophobicContact CD2-CG1 4.09Å; L15-V24 HydrophobicContact CD1-CG2 4.22Å; L15-V24 HydrophobicContact CD2-CG2 3.35Å; L15-V24 HydrophobicContact CG-CG2 4.43Å; L15-I406 PolarHBondContact N-O 3.23Å; L15-T408 PolarHBondContact O-N 3.43Å; L15-T408 PolarHBondContact O-OG1 3.24Å; L15-Y433 HydrophobicContact CD2-CG 4.28Å
16E86.4Confident80.8Confident82 Ų8265.8 Ų65.838%0.38337%0.373SS..  trans-115.5163.7179.1-77.9-176-160.200111.3L14 G18 V19 T408 Q432L14-E16 HydrophobicContact CD2-CG 4.33Å; L14-E16 WeakPolarHBondContact CD2-OE1 3.18Å; L14-E16 HydrophobicContact CG-CG 4.36Å; E16-G18 VanDerWaalsContact C-N 3.26Å; E16-G18 PolarHBondContact O-N 3.26Å; E16-G18 VanDerWaalsContact O-N 3.1Å; E16-V19 WeakPolarHBondContact O-CB 3.34Å; E16-V19 VanDerWaalsContact O-CG2 3.23Å; E16-V19 WeakPolarHBondContact O-CG2 3.38Å; E16-V19 PolarHBondContact O-N 3.18Å; E16-T408 HydrophobicContact CG-CG2 4.5Å; E16-T408 VanDerWaalsContact CG-OG1 3.25Å; E16-T408 WeakPolarHBondContact CG-OG1 3.31Å; E16-Q432 PolarHBondContact OE1-NE2 3.18Å; E16-Q432 PolarHBondContact OE2-NE2 2.78Å
17G80.3Confident83.1Confident92 Ų9259.2 Ų59.295%0.94834%0.343SS*.THydrogen-bonded Turntrans67.41716500000116.7
18G80.8Confident85.4Confident67 Ų6750.8 Ų50.869%0.69131%0.307SS*.THydrogen-bonded Turntrans926.1-178.900000114.7E16 T20E16-G18 VanDerWaalsContact C-N 3.26Å; E16-G18 PolarHBondContact O-N 3.26Å; E16-G18 VanDerWaalsContact O-N 3.1Å; G18-T20 PolarHBondContact O-N 3.33Å
19V88.3Confident87.3Confident33 Ų3348.1 Ų48.120%0.229%0.29CS..  trans-58.7132.1169.7175.20000109.7L15 E16 D23 V24 Y433 V435L15-V19 HydrophobicContact CB-CB 4.37Å; L15-V19 HydrophobicContact CB-CG1 4.37Å; L15-V19 HydrophobicContact CD2-CG1 4.09Å; E16-V19 WeakPolarHBondContact O-CB 3.34Å; E16-V19 VanDerWaalsContact O-CG2 3.23Å; E16-V19 WeakPolarHBondContact O-CG2 3.38Å; E16-V19 PolarHBondContact O-N 3.18Å; V19-D23 HydrophobicContact CG1-CB 4Å; V19-V24 HydrophobicContact CG1-CG2 4.34Å; V19-Y433 HydrophobicContact CG1-CD1 3.89Å; V19-Y433 HydrophobicContact CG1-CE1 4.23Å; V19-V435 HydrophobicContact CG2-CG2 4.13Å
20T89Confident88.2Confident64 Ų6445.6 Ų45.639%0.39328%0.28SS..  trans-103.8168-178.868.20000111.5G18 E22 D23 V24G18-T20 PolarHBondContact O-N 3.33Å; T20-E22 PolarHBondContact O-N 2.9Å; T20-E22 PolarHBondContact OG1-N 3.07Å; T20-D23 WeakPolarHBondContact CB-OD2 3.29Å; T20-D23 PolarHBondContact N-OD2 3.31Å; T20-D23 PolarHBondContact O-N 3.02Å; T20-D23 VanDerWaalsContact OG1-CG 3.27Å; T20-D23 PolarHBondContact OG1-N 2.78Å; T20-D23 PolarHBondContact OG1-OD2 2.93Å; T20-V24 PolarHBondContact O-N 2.66Å
21L88.9Confident88.7Confident48 Ų4847.6 Ų47.625%0.25129%0.291SS..Hα-helixtrans-60.9-33.7172.1-175.464.5000111.9V24 I25 V42 D44L21-V24 PolarHBondContact O-N 3.41Å; L21-I25 HydrophobicContact CG-CD1 4.09Å; L21-I25 WeakPolarHBondContact O-CG1 3.41Å; L21-I25 PolarHBondContact O-N 3.48Å; L21-V42 HydrophobicContact CD1-CB 4.44Å; L21-V42 HydrophobicContact CD1-CG1 3.53Å; L21-D44 HydrophobicContact CD1-CB 4.46Å
22E89.7Confident88.8Confident141 Ų14143.6 Ų43.666%0.65927%0.27SS*.Hα-helixtrans-63.9-42.5176.8-65.1179-179.500110.8T20 V24 I25 D26T20-E22 PolarHBondContact O-N 2.9Å; T20-E22 PolarHBondContact OG1-N 3.07Å; E22-V24 VanDerWaalsContact C-N 3.27Å; E22-V24 PolarHBondContact O-N 3.5Å; E22-I25 PolarHBondContact O-N 3.5Å; E22-D26 WeakPolarHBondContact O-CB 3.34Å; E22-D26 PolarHBondContact O-N 2.93Å
23D91Very high88.6Confident73 Ų7347.1 Ų47.139%0.3929%0.289SS..Hα-helixtrans-60-38176.7-60.5-55.6000112V19 T20 D26 G27V19-D23 HydrophobicContact CG1-CB 4Å; T20-D23 WeakPolarHBondContact CB-OD2 3.29Å; T20-D23 PolarHBondContact N-OD2 3.31Å; T20-D23 PolarHBondContact O-N 3.02Å; T20-D23 VanDerWaalsContact OG1-CG 3.27Å; T20-D23 PolarHBondContact OG1-N 2.78Å; T20-D23 PolarHBondContact OG1-OD2 2.93Å; D23-D26 PolarHBondContact O-N 3.24Å; D23-G27 PolarHBondContact O-N 3.11Å
24V91.7Very high88Confident0 Ų053.6 Ų53.60%032%0.32CS..Hα-helixtrans-68.6-45.9177.1179.30000111.7E13 L15 V19 T20 L21 E22 D26 G27 H28 V42 T405 Y433E13-V24 WeakPolarHBondContact OE2-CG1 3.43Å; L15-V24 HydrophobicContact CD1-CG2 4.22Å; L15-V24 HydrophobicContact CD2-CG2 3.35Å; L15-V24 HydrophobicContact CG-CG2 4.43Å; V19-V24 HydrophobicContact CG1-CG2 4.34Å; T20-V24 PolarHBondContact O-N 2.66Å; L21-V24 PolarHBondContact O-N 3.41Å; E22-V24 VanDerWaalsContact C-N 3.27Å; E22-V24 PolarHBondContact O-N 3.5Å; V24-D26 VanDerWaalsContact C-N 3.25Å; V24-D26 PolarHBondContact O-N 3.24Å; V24-G27 PolarHBondContact O-N 3.1Å; V24-H28 PolarHBondContact O-CD2 2.91Å; V24-H28 PolarHBondContact O-N 3.33Å; V24-V42 HydrophobicContact CG1-CG1 4.22Å; V24-T405 HydrophobicContact CB-CG2 4.32Å; V24-T405 HydrophobicContact CG1-CG2 3.7Å; V24-T405 HydrophobicContact CG2-CG2 4.18Å; V24-Y433 HydrophobicContact CB-CE2 4.37Å; V24-Y433 HydrophobicContact CG1-CE2 4.03Å; V24-Y433 HydrophobicContact CG2-CD2 4.26Å; V24-Y433 HydrophobicContact CG2-CE1 4.35Å; V24-Y433 HydrophobicContact CG2-CE2 4.07Å; V24-Y433 HydrophobicContact CG2-CG 4.48Å
25I92.9Very high87.5Confident6 Ų658 Ų583%0.03135%0.347CS..Hα-helixtrans-57.8-45175.4-68.7163.1000109.5L21 E22 G27 H28 I29 V42 T281 L379L21-I25 HydrophobicContact CG-CD1 4.09Å; L21-I25 WeakPolarHBondContact O-CG1 3.41Å; L21-I25 PolarHBondContact O-N 3.48Å; E22-I25 PolarHBondContact O-N 3.5Å; I25-G27 PolarHBondContact O-N 3.32Å; I25-H28 PolarHBondContact O-N 2.88Å; I25-I29 HydrophobicContact CG2-CD1 3.9Å; I25-I29 HydrophobicContact CG2-CG1 4.46Å; I25-I29 WeakPolarHBondContact O-CB 3.41Å; I25-I29 WeakPolarHBondContact O-CG1 3.3Å; I25-I29 PolarHBondContact O-N 2.96Å; I25-V42 HydrophobicContact CG1-CB 4.06Å; I25-V42 HydrophobicContact CG1-CG1 4.47Å; I25-V42 HydrophobicContact CG1-CG2 3.7Å; I25-T281 HydrophobicContact CD1-CG2 3.99Å; I25-L379 HydrophobicContact CG2-CD1 4.06Å; I25-L379 HydrophobicContact CG2-CD2 3.66Å
26D91.8Very high86.8Confident46 Ų4665.2 Ų65.225%0.24638%0.38CS..Hα-helixtrans-60.7-43.5177.9-81.725.2000112.2E22 D23 V24 I29 C30 H337 K338E22-D26 WeakPolarHBondContact O-CB 3.34Å; E22-D26 PolarHBondContact O-N 2.93Å; D23-D26 PolarHBondContact O-N 3.24Å; V24-D26 VanDerWaalsContact C-N 3.25Å; V24-D26 PolarHBondContact O-N 3.24Å; D26-I29 PolarHBondContact O-N 3.19Å; D26-C30 PolarHBondContact O-N 2.95Å; D26-C30 PolarHBondContact O-SG 3.08Å; D26-H337 IonicContact OD1-CE1 3.69Å; D26-H337 PolarHBondContact OD1-CE1 3.32Å; D26-H337 IonicContact OD1-ND1 3.97Å; D26-H337 PolarHBondContact OD1-ND1 2.67Å; D26-H337 VanDerWaalsContact OD1-ND1 3.08Å; D26-H337 IonicContact OD2-CE1 2.67Å; D26-K338 VanDerWaalsContact OD2-CE 3.22Å; D26-K338 WeakPolarHBondContact OD2-CE 3.42Å; D26-K338 IonicContact OD2-NZ 3.9Å
27G91.2Very high86.5Confident21 Ų2164.6 Ų64.622%0.21638%0.376CS..Hα-helixtrans-58.9-51.4174.900000112.4D23 V24 I25 I29 C30 E31D23-G27 PolarHBondContact O-N 3.11Å; V24-G27 PolarHBondContact O-N 3.1Å; I25-G27 PolarHBondContact O-N 3.32Å; G27-I29 PolarHBondContact O-N 2.86Å; G27-C30 WeakPolarHBondContact O-CB 3.45Å; G27-C30 PolarHBondContact O-N 3.21Å; G27-C30 VanDerWaalsContact O-N 3.1Å; G27-E31 PolarHBondContact O-N 2.89Å
28H91.8Very high86.8Confident4 Ų462 Ų622%0.01934%0.344CS..Hα-helixtrans-68-31.7178.4-70.8-50.6000113.3E13 V24 I25 C30 E31 Q32 F40 Y403E13-H28 IonicContact OE1-CE1 2.89Å; E13-H28 PolarHBondContact OE1-CE1 3.34Å; E13-H28 IonicContact OE1-NE2 3.65Å; E13-H28 PolarHBondContact OE1-NE2 2.73Å; E13-H28 IonicContact OE2-NE2 2.54Å; E13-H28 PolarHBondContact OE2-NE2 2.97Å; V24-H28 PolarHBondContact O-CD2 2.91Å; V24-H28 PolarHBondContact O-N 3.33Å; I25-H28 PolarHBondContact O-N 2.88Å; H28-C30 VanDerWaalsContact C-N 3.3Å; H28-C30 PolarHBondContact O-N 2.9Å; H28-E31 IonicContact CE1-OE2 2.92Å; H28-E31 IonicContact ND1-OE2 3.63Å; H28-E31 PolarHBondContact ND1-OE2 2.93Å; H28-E31 PolarHBondContact O-N 3.22Å; H28-Q32 WeakPolarHBondContact O-CB 3.34Å; H28-Q32 WeakPolarHBondContact O-CG 3.34Å; H28-Q32 PolarHBondContact O-N 3.49Å; H28-F40 HydrophobicContact CB-CD2 4.33Å; H28-F40 HydrophobicContact CB-CE1 4.35Å; H28-F40 HydrophobicContact CB-CE2 3.6Å; H28-F40 HydrophobicContact CB-CZ 3.59Å; H28-Y403 HydrophobicContact CB-CE2 4.44Å; H28-Y403 AromaticContact CD2-CD2 3.84Å; H28-Y403 AromaticContact CD2-CG 3.66Å; H28-Y403 AromaticContact CE1-CD1 3.28Å; H28-Y403 WeakPolarHBondContact CE1-CD1 3.37Å; H28-Y403 AromaticContact CE1-CE1 3.54Å; H28-Y403 AromaticContact CE1-CG 3.69Å; H28-Y403 AromaticContact ND1-CD1 3.85Å; H28-Y403 AromaticContact ND1-CE1 3.71Å; H28-Y403 AromaticContact ND1-CZ 3.88Å; H28-Y403 WeakPolarHBondContact NE2-CB 3.33Å; H28-Y403 AromaticContact NE2-CD1 3.41Å; H28-Y403 WeakPolarHBondContact NE2-CD1 3.43Å; H28-Y403 AromaticContact NE2-CG 3.35Å; H28-Y403 VanDerWaalsContact NE2-CG 3.35Å
29I91.5Very high87.3Confident2 Ų259 Ų591%0.0131%0.312CS..Hα-helixtrans-59.1-44.9169.6-77.4172.9000110.2I25 D26 G27 E31 Q32 D33 F40 H337 W377 L379I25-I29 HydrophobicContact CG2-CD1 3.9Å; I25-I29 HydrophobicContact CG2-CG1 4.46Å; I25-I29 WeakPolarHBondContact O-CB 3.41Å; I25-I29 WeakPolarHBondContact O-CG1 3.3Å; I25-I29 PolarHBondContact O-N 2.96Å; D26-I29 PolarHBondContact O-N 3.19Å; G27-I29 PolarHBondContact O-N 2.86Å; I29-E31 VanDerWaalsContact C-N 3.31Å; I29-E31 PolarHBondContact O-N 3.26Å; I29-Q32 PolarHBondContact O-N 2.8Å; I29-D33 WeakPolarHBondContact O-CB 3.36Å; I29-D33 PolarHBondContact O-N 3.45Å; I29-F40 HydrophobicContact CG1-CE1 3.9Å; I29-F40 HydrophobicContact CG1-CZ 3.76Å; I29-H337 HydrophobicContact CD1-CB 4.12Å; I29-H337 WeakPolarHBondContact CD1-ND1 3.22Å; I29-W377 HydrophobicContact CD1-CB 3.98Å; I29-W377 HydrophobicContact CD1-CD2 4.22Å; I29-W377 HydrophobicContact CD1-CG 3.99Å; I29-W377 HydrophobicContact CG1-CD2 3.98Å; I29-W377 HydrophobicContact CG1-CE3 4.26Å; I29-W377 HydrophobicContact CG1-CG 4.17Å; I29-W377 HydrophobicContact CG2-CD2 4.34Å; I29-W377 HydrophobicContact CG2-CG 4.09Å; I29-L379 HydrophobicContact CD1-CD2 4.23Å
30C89.1Confident87.5Confident57 Ų5757.4 Ų57.439%0.38530%0.302SS..Hα-helixtrans-64.7-34.6179.4-650000112.6D26 G27 H28 Q34D26-C30 PolarHBondContact O-N 2.95Å; D26-C30 PolarHBondContact O-SG 3.08Å; G27-C30 WeakPolarHBondContact O-CB 3.45Å; G27-C30 PolarHBondContact O-N 3.21Å; G27-C30 VanDerWaalsContact O-N 3.1Å; H28-C30 VanDerWaalsContact C-N 3.3Å; H28-C30 PolarHBondContact O-N 2.9Å; C30-Q34 WeakPolarHBondContact O-CG 3.32Å; C30-Q34 PolarHBondContact O-NE2 3.23Å
31E87.8Confident87.6Confident102 Ų10255.2 Ų55.248%0.47729%0.289SS..Hα-helixtrans-68.5-48172.9-67.7179.4157.300111.6G27 H28 I29 D33 Q34 V35G27-E31 PolarHBondContact O-N 2.89Å; H28-E31 IonicContact CE1-OE2 2.92Å; H28-E31 IonicContact ND1-OE2 3.63Å; H28-E31 PolarHBondContact ND1-OE2 2.93Å; H28-E31 PolarHBondContact O-N 3.22Å; I29-E31 VanDerWaalsContact C-N 3.31Å; I29-E31 PolarHBondContact O-N 3.26Å; E31-D33 VanDerWaalsContact C-N 3.28Å; E31-D33 PolarHBondContact O-N 3.23Å; E31-Q34 WeakPolarHBondContact O-CB 3.42Å; E31-Q34 PolarHBondContact O-N 3.41Å; E31-V35 WeakPolarHBondContact O-CG2 3.42Å; E31-V35 PolarHBondContact O-N 2.95Å
32Q86.4Confident87.8Confident16 Ų1653 Ų538%0.07528%0.277CS..Hα-helixtrans-64.8-33.1-178.2-71.9-63.9-31.600112.3H28 I29 Q34 V35 E36 K37 S38 F40 W377 Y403H28-Q32 WeakPolarHBondContact O-CB 3.34Å; H28-Q32 WeakPolarHBondContact O-CG 3.34Å; H28-Q32 PolarHBondContact O-N 3.49Å; I29-Q32 PolarHBondContact O-N 2.8Å; Q32-Q34 PolarHBondContact O-N 3.28Å; Q32-V35 PolarHBondContact O-N 3.35Å; Q32-E36 PolarHBondContact O-N 3.36Å; Q32-K37 WeakPolarHBondContact O-CA 3.42Å; Q32-K37 PolarHBondContact O-N 2.91Å; Q32-S38 PolarHBondContact OE1-OG 2.97Å; Q32-F40 HydrophobicContact CG-CD1 3.85Å; Q32-F40 HydrophobicContact CG-CE1 4.01Å; Q32-W377 HydrophobicContact CB-CH2 3.99Å; Q32-W377 HydrophobicContact CB-CZ2 3.91Å; Q32-Y403 PolarHBondContact NE2-OH 3.17Å
33D83.1Confident88Confident75 Ų7546.2 Ų46.240%0.40125%0.246SC..THydrogen-bonded Turntrans-61.1-23173-86.4-1.8000113.4I29 E31 K37 W377I29-D33 WeakPolarHBondContact O-CB 3.36Å; I29-D33 PolarHBondContact O-N 3.45Å; E31-D33 VanDerWaalsContact C-N 3.28Å; E31-D33 PolarHBondContact O-N 3.23Å; D33-K37 WeakPolarHBondContact OD1-CE 3.47Å; D33-K37 IonicContact OD1-NZ 2.68Å; D33-K37 PolarHBondContact OD1-NZ 2.94Å; D33-K37 IonicContact OD2-NZ 3.72Å; D33-W377 PolarHBondContact OD1-NE1 3.02Å
34Q78Confident88.2Confident168 Ų16843.9 Ų43.979%0.78523%0.233SC*.THydrogen-bonded Turntrans-92.9-16.9178.6-62.3175.928.300113.5C30 E31 Q32C30-Q34 WeakPolarHBondContact O-CG 3.32Å; C30-Q34 PolarHBondContact O-NE2 3.23Å; E31-Q34 WeakPolarHBondContact O-CB 3.42Å; E31-Q34 PolarHBondContact O-N 3.41Å; Q32-Q34 PolarHBondContact O-N 3.28Å
35V77.6Confident88.2Confident109 Ų10944 Ų4466%0.66123%0.234SC*.THydrogen-bonded Turntrans-106.6-83.8-172.3-176.30000111.1E31 Q32E31-V35 WeakPolarHBondContact O-CG2 3.42Å; E31-V35 PolarHBondContact O-N 2.95Å; Q32-V35 PolarHBondContact O-N 3.35Å
36E74.9Confident88.2Confident164 Ų16443.7 Ų43.777%0.76623%0.232SC*.THydrogen-bonded Turntrans-138.9-2.1-170.8-77.2178.9-178.900113.6Q32 S38Q32-E36 PolarHBondContact O-N 3.36Å; E36-S38 PolarHBondContact O-N 3.41Å
37K80.7Confident88.3Confident68 Ų6841.7 Ų41.730%0.29622%0.222SC..  trans47.544.6-170.9-70.2-171.3-178.9-108.10112.9Q32 D33 S285 N315 G375 W377Q32-K37 WeakPolarHBondContact O-CA 3.42Å; Q32-K37 PolarHBondContact O-N 2.91Å; D33-K37 WeakPolarHBondContact OD1-CE 3.47Å; D33-K37 IonicContact OD1-NZ 2.68Å; D33-K37 PolarHBondContact OD1-NZ 2.94Å; D33-K37 IonicContact OD2-NZ 3.72Å; K37-S285 PolarHBondContact O-OG 3.05Å; K37-N315 PolarHBondContact O-ND2 3.28Å; K37-G375 PolarHBondContact NZ-O 2.87Å; K37-W377 HydrophobicContact CB-CZ2 4.21Å; K37-W377 HydrophobicContact CG-CZ2 4.24Å
38S86.5Confident88.4Confident38 Ų3840.7 Ų40.727%0.26621%0.212SC..  trans-73.5143.2176.169.70000110.6Q32 E36 W377Q32-S38 PolarHBondContact OE1-OG 2.97Å; E36-S38 PolarHBondContact O-N 3.41Å; S38-W377 WeakPolarHBondContact O-CH2 3.47Å
39A91.5Very high88.5Confident3 Ų340.8 Ų40.83%0.02521%0.213CC..  trans-61.1149.2170.500000109.5A283 V284 N315 E316 L400 P401A39-A283 VanDerWaalsContact CA-O 3.29Å; A39-A283 WeakPolarHBondContact CA-O 3.39Å; A39-A283 WeakPolarHBondContact CB-O 3.34Å; A39-V284 HydrophobicContact CB-CG1 4.23Å; A39-N315 PolarHBondContact N-ND2 2.89Å; A39-E316 HydrophobicContact CB-CB 4.48Å; A39-E316 HydrophobicContact CB-CG 4.02Å; A39-L400 HydrophobicContact CB-CD2 3.76Å; A39-L400 WeakPolarHBondContact O-CD2 3.45Å; A39-P401 WeakPolarHBondContact O-CD 3.23Å
40F92.1Very high88.7Confident0 Ų045.4 Ų45.40%023%0.23CC..EExtended strand (participates in β ladder)trans-151.2161.9-178.468.6-91.7000111.7H28 I29 Q32 V42 A283 W377 P401 Y403H28-F40 HydrophobicContact CB-CD2 4.33Å; H28-F40 HydrophobicContact CB-CE1 4.35Å; H28-F40 HydrophobicContact CB-CE2 3.6Å; H28-F40 HydrophobicContact CB-CZ 3.59Å; I29-F40 HydrophobicContact CG1-CE1 3.9Å; I29-F40 HydrophobicContact CG1-CZ 3.76Å; Q32-F40 HydrophobicContact CG-CD1 3.85Å; Q32-F40 HydrophobicContact CG-CE1 4.01Å; F40-V42 HydrophobicContact CD2-CG2 3.93Å; F40-V42 HydrophobicContact CE2-CG2 3.61Å; F40-A283 HydrophobicContact CD1-CB 4.01Å; F40-A283 HydrophobicContact CD2-CB 4.33Å; F40-A283 HydrophobicContact CE1-CB 3.66Å; F40-A283 HydrophobicContact CE2-CB 4.02Å; F40-A283 HydrophobicContact CG-CB 4.35Å; F40-A283 HydrophobicContact CZ-CB 3.68Å; F40-A283 PolarHBondContact N-O 3.32Å; F40-A283 VanDerWaalsContact N-O 3.08Å; F40-A283 PolarHBondContact O-N 2.84Å; F40-W377 HydrophobicContact CD1-CH2 4.07Å; F40-W377 AromaticContact CD1-CZ3 3.97Å; F40-W377 HydrophobicContact CD1-CZ3 3.97Å; F40-W377 HydrophobicContact CE1-CE3 4.45Å; F40-W377 AromaticContact CE1-CH2 3.89Å; F40-W377 HydrophobicContact CE1-CH2 3.89Å; F40-W377 AromaticContact CE1-CZ3 3.76Å; F40-W377 HydrophobicContact CE1-CZ3 3.76Å; F40-P401 HydrophobicContact CB-CG 3.76Å; F40-Y403 HydrophobicContact CB-CD2 4.31Å; F40-Y403 HydrophobicContact CB-CE2 3.83Å; F40-Y403 AromaticContact CD2-CD2 3.75Å; F40-Y403 HydrophobicContact CD2-CD2 3.75Å; F40-Y403 AromaticContact CD2-CE2 3.82Å; F40-Y403 HydrophobicContact CD2-CE2 3.82Å; F40-Y403 HydrophobicContact CE2-CD2 4.46Å; F40-Y403 HydrophobicContact CG-CD2 4.34Å; F40-Y403 AromaticContact CG-CE2 3.98Å; F40-Y403 HydrophobicContact CG-CE2 3.98Å
41V92.3Very high89Confident18 Ų1843.8 Ų43.811%0.10922%0.217CC..EExtended strand (participates in β ladder)trans-118.1135.8-179.5-177.50000109.6F280 T281 L282 L400 P401 V402 Y403V41-F280 HydrophobicContact CG1-CB 3.96Å; V41-F280 HydrophobicContact CG1-CD1 3.64Å; V41-F280 HydrophobicContact CG1-CG 4.29Å; V41-T281 WeakPolarHBondContact CA-O 3.5Å; V41-L282 HydrophobicContact CG2-CD1 3.7Å; V41-L400 HydrophobicContact CG2-CD1 4.17Å; V41-P401 PolarHBondContact N-O 3.49Å; V41-V402 HydrophobicContact CB-CG1 4.31Å; V41-V402 HydrophobicContact CB-CG2 4.29Å; V41-V402 HydrophobicContact CG1-CG1 4.37Å; V41-V402 CarbonylContact O-C 3.58Å; V41-V402 WeakPolarHBondContact O-CA 3.48Å; V41-Y403 PolarHBondContact O-N 3Å
42V93.3Very high89.4Confident1 Ų139.3 Ų39.31%0.00620%0.196CC..EExtended strand (participates in β ladder)trans-108.3123.1167.4-171.60000108.7L21 V24 I25 F40 F280 T281 Y403 T405L21-V42 HydrophobicContact CD1-CB 4.44Å; L21-V42 HydrophobicContact CD1-CG1 3.53Å; V24-V42 HydrophobicContact CG1-CG1 4.22Å; I25-V42 HydrophobicContact CG1-CB 4.06Å; I25-V42 HydrophobicContact CG1-CG1 4.47Å; I25-V42 HydrophobicContact CG1-CG2 3.7Å; F40-V42 HydrophobicContact CD2-CG2 3.93Å; F40-V42 HydrophobicContact CE2-CG2 3.61Å; V42-F280 WeakPolarHBondContact O-CA 3.48Å; V42-T281 PolarHBondContact N-O 3.42Å; V42-T281 PolarHBondContact O-N 2.96Å; V42-Y403 CarbonylContact C-O 3.59Å; V42-Y403 WeakPolarHBondContact CA-O 3.42Å; V42-T405 HydrophobicContact CG1-CG2 3.78Å
43G92.9Very high89.8Confident0 Ų041 Ų410%021%0.207CC..EExtended strand (participates in β ladder)trans-109.2117.5179.500000111.8L45 A279 Y403 Y404 T405G43-L45 PolarHBondContact O-N 3.41Å; G43-A279 CarbonylContact C-O 3.58Å; G43-A279 WeakPolarHBondContact CA-O 3.06Å; G43-Y403 PolarHBondContact N-O 3.48Å; G43-Y404 CarbonylContact O-C 3.55Å; G43-Y404 WeakPolarHBondContact O-CA 3.49Å; G43-T405 PolarHBondContact O-N 2.88Å
44D94.3Very high90.4Very high23 Ų2338.4 Ų38.412%0.12320%0.195CC..EExtended strand (participates in β ladder)trans-85102.1170.6176.24.8000109.7L21 G46 A47 R50 A279L21-D44 HydrophobicContact CD1-CB 4.46Å; D44-G46 PolarHBondContact O-N 2.97Å; D44-G46 VanDerWaalsContact OD1-CA 3.3Å; D44-G46 WeakPolarHBondContact OD1-CA 3.46Å; D44-G46 PolarHBondContact OD1-N 3.15Å; D44-A47 HydrophobicContact CB-CB 4.3Å; D44-A47 VanDerWaalsContact O-CB 3.29Å; D44-A47 WeakPolarHBondContact O-CB 3.33Å; D44-A47 PolarHBondContact O-N 2.75Å; D44-A47 PolarHBondContact OD1-N 2.91Å; D44-R50 IonicContact OD2-CZ 2.78Å; D44-R50 IonicContact OD2-NH1 2.65Å; D44-R50 IonicContact OD2-NH2 3.35Å; D44-R50 PolarHBondContact OD2-NH2 3.19Å; D44-A279 PolarHBondContact N-O 2.97Å
45L92.4Very high91.2Very high2 Ų230.6 Ų30.61%0.0116%0.158CC..Hα-helixtrans-69.4-24.2178.1-62.8-178000112.3I12 G43 A47 L48 V79 Y404 T405 I406 F428I12-L45 HydrophobicContact CD1-CD1 3.65Å; I12-L45 HydrophobicContact CG1-CD1 3.89Å; I12-L45 HydrophobicContact CG2-CD1 4.39Å; G43-L45 PolarHBondContact O-N 3.41Å; L45-A47 PolarHBondContact O-N 3.27Å; L45-L48 HydrophobicContact CD2-CD1 4.14Å; L45-L48 WeakPolarHBondContact O-CB 3.45Å; L45-L48 PolarHBondContact O-N 2.9Å; L45-V79 HydrophobicContact CD1-CG2 4.3Å; L45-V79 HydrophobicContact CD2-CG2 4.43Å; L45-Y404 HydrophobicContact CD1-CD1 4.28Å; L45-Y404 HydrophobicContact CD1-CG 4.34Å; L45-Y404 HydrophobicContact CD2-CD1 3.67Å; L45-Y404 HydrophobicContact CD2-CE1 4.14Å; L45-Y404 HydrophobicContact CG-CD1 3.98Å; L45-Y404 HydrophobicContact CG-CG 4.47Å; L45-T405 PolarHBondContact N-O 3.45Å; L45-I406 HydrophobicContact CB-CD1 4.35Å; L45-F428 HydrophobicContact CD1-CE1 4.09Å; L45-F428 HydrophobicContact CD1-CZ 4.32Å
46G92.8Very high92.1Very high0 Ų030.4 Ų30.40%015%0.15CC..Hα-helixtrans-64.1-29.817400000112.2D44 L48 M49 R50D44-G46 PolarHBondContact O-N 2.97Å; D44-G46 VanDerWaalsContact OD1-CA 3.3Å; D44-G46 WeakPolarHBondContact OD1-CA 3.46Å; D44-G46 PolarHBondContact OD1-N 3.15Å; G46-L48 PolarHBondContact O-N 2.87Å; G46-M49 WeakPolarHBondContact O-CB 3.26Å; G46-M49 PolarHBondContact O-N 3.35Å; G46-M49 VanDerWaalsContact O-N 3.11Å; G46-R50 VanDerWaalsContact C-NH1 3.3Å; G46-R50 PolarHBondContact O-N 2.91Å; G46-R50 PolarHBondContact O-NH1 2.93Å
47A94.2Very high93Very high5 Ų526.8 Ų26.84%0.04114%0.143CC..Hα-helixtrans-59.6-34.5174.100000112.7D44 L45 R50 Q51 A279D44-A47 HydrophobicContact CB-CB 4.3Å; D44-A47 VanDerWaalsContact O-CB 3.29Å; D44-A47 WeakPolarHBondContact O-CB 3.33Å; D44-A47 PolarHBondContact O-N 2.75Å; D44-A47 PolarHBondContact OD1-N 2.91Å; L45-A47 PolarHBondContact O-N 3.27Å; A47-R50 VanDerWaalsContact CA-NH2 3.3Å; A47-R50 PolarHBondContact O-N 3.19Å; A47-Q51 WeakPolarHBondContact O-CG 3.34Å; A47-Q51 PolarHBondContact O-N 3.39Å; A47-A279 HydrophobicContact CB-CB 3.78Å
48L94.4Very high93.7Very high0 Ų024.8 Ų24.80%014%0.135CC..Hα-helixtrans-64.5-41.5176.2-55.5-179.5000111.2L45 G46 Q51 H52 V76 V79 L80 Y275 V276 A279L45-L48 HydrophobicContact CD2-CD1 4.14Å; L45-L48 WeakPolarHBondContact O-CB 3.45Å; L45-L48 PolarHBondContact O-N 2.9Å; G46-L48 PolarHBondContact O-N 2.87Å; L48-Q51 PolarHBondContact O-N 3Å; L48-H52 WeakPolarHBondContact O-CB 3.44Å; L48-H52 PolarHBondContact O-N 3.31Å; L48-V76 HydrophobicContact CD1-CB 4.46Å; L48-V76 HydrophobicContact CD1-CG1 4.19Å; L48-V76 HydrophobicContact CD1-CG2 4.31Å; L48-V79 HydrophobicContact CB-CG1 4.02Å; L48-V79 HydrophobicContact CD1-CB 4.05Å; L48-V79 HydrophobicContact CD1-CG1 3.76Å; L48-L80 HydrophobicContact CB-CD2 4.34Å; L48-Y275 VanDerWaalsContact CD2-O 3.26Å; L48-Y275 WeakPolarHBondContact CD2-O 3.48Å; L48-V276 HydrophobicContact CD2-CG1 4.03Å; L48-A279 HydrophobicContact CD2-CB 4.03Å
49M93.2Very high94Very high6 Ų623.4 Ų23.43%0.0312%0.124CC..Hα-helixtrans-64.3-47.5176.3-178.157.3-171.300111G46 Q51 H52 T53 L83 E413 M414 A417G46-M49 WeakPolarHBondContact O-CB 3.26Å; G46-M49 PolarHBondContact O-N 3.35Å; G46-M49 VanDerWaalsContact O-N 3.11Å; M49-Q51 VanDerWaalsContact C-N 3.31Å; M49-Q51 PolarHBondContact O-N 2.91Å; M49-H52 WeakPolarHBondContact O-CA 3.5Å; M49-H52 VanDerWaalsContact O-CB 3.31Å; M49-H52 WeakPolarHBondContact O-CB 3.38Å; M49-H52 PolarHBondContact O-N 3.2Å; M49-T53 PolarHBondContact O-N 3.46Å; M49-T53 PolarHBondContact O-OG1 2.87Å; M49-L83 HydrophobicContact SD-CD1 4.27Å; M49-L83 HydrophobicContact SD-CD2 3.48Å; M49-L83 WeakPolarHBondContact SD-CD2 3.48Å; M49-E413 HydrophobicContact CE-CB 4.45Å; M49-E413 HydrophobicContact CE-CG 3.73Å; M49-E413 HydrophobicContact CG-CG 4.5Å; M49-M414 HydrophobicContact CB-CG 3.7Å; M49-M414 HydrophobicContact CB-SD 4.26Å; M49-M414 HydrophobicContact CG-CG 3.64Å; M49-M414 HydrophobicContact SD-CG 4.03Å; M49-A417 HydrophobicContact CE-CB 3.71Å
50R94.7Very high94.1Very high98 Ų9827.8 Ų27.837%0.3715%0.153SC..Hα-helixtrans-59.2-42.2177.6-66.4-172.5-61.2-88.94.5112D44 G46 A47 H52 T53 C54 D410D44-R50 IonicContact OD2-CZ 2.78Å; D44-R50 IonicContact OD2-NH1 2.65Å; D44-R50 IonicContact OD2-NH2 3.35Å; D44-R50 PolarHBondContact OD2-NH2 3.19Å; G46-R50 VanDerWaalsContact C-NH1 3.3Å; G46-R50 PolarHBondContact O-N 2.91Å; G46-R50 PolarHBondContact O-NH1 2.93Å; A47-R50 VanDerWaalsContact CA-NH2 3.3Å; A47-R50 PolarHBondContact O-N 3.19Å; R50-H52 VanDerWaalsContact C-N 3.32Å; R50-T53 PolarHBondContact O-N 2.74Å; R50-C54 WeakPolarHBondContact O-CB 2.96Å; R50-C54 PolarHBondContact O-N 3.23Å; R50-D410 IonicContact CZ-OD1 3.38Å; R50-D410 IonicContact CZ-OD2 3.45Å; R50-D410 IonicContact NH1-OD1 3.75Å; R50-D410 PolarHBondContact NH1-OD1 2.85Å; R50-D410 IonicContact NH1-OD2 3.39Å; R50-D410 PolarHBondContact NH1-OD2 2.88Å
51Q95.9Very high94.1Very high23 Ų2330.9 Ų30.911%0.10717%0.167CC..Hα-helixtrans-65.1-36.2174-70.8-66.77.200112.1A47 L48 M49 C54 W55 G239 F274 Y275A47-Q51 WeakPolarHBondContact O-CG 3.34Å; A47-Q51 PolarHBondContact O-N 3.39Å; L48-Q51 PolarHBondContact O-N 3Å; M49-Q51 VanDerWaalsContact C-N 3.31Å; M49-Q51 PolarHBondContact O-N 2.91Å; Q51-C54 WeakPolarHBondContact O-CB 3.47Å; Q51-C54 PolarHBondContact O-N 2.88Å; Q51-W55 WeakPolarHBondContact O-CB 3.33Å; Q51-W55 PolarHBondContact O-N 3.44Å; Q51-G239 PolarHBondContact NE2-O 3.3Å; Q51-G239 VanDerWaalsContact NE2-O 3.14Å; Q51-F274 HydrophobicContact CB-CD1 4.4Å; Q51-F274 HydrophobicContact CB-CE1 3.87Å; Q51-F274 HydrophobicContact CB-CZ 4.33Å; Q51-F274 VanDerWaalsContact CD-O 3.29Å; Q51-F274 WeakPolarHBondContact CG-O 3.21Å; Q51-F274 VanDerWaalsContact O-CE1 3.26Å; Q51-F274 WeakPolarHBondContact O-CE1 3.3Å; Q51-F274 WeakPolarHBondContact O-CZ 3.27Å; Q51-Y275 HydrophobicContact CB-CD1 3.99Å; Q51-Y275 HydrophobicContact CB-CE1 4.33Å
52H95.6Very high94.3Very high9 Ų930.3 Ų30.34%0.04216%0.164CC..Hα-helixtrans-64.4-49.2174.9-166.859.2000112.7L48 M49 R50 C54 W55 Q56 L83 Y275L48-H52 WeakPolarHBondContact O-CB 3.44Å; L48-H52 PolarHBondContact O-N 3.31Å; M49-H52 WeakPolarHBondContact O-CA 3.5Å; M49-H52 VanDerWaalsContact O-CB 3.31Å; M49-H52 WeakPolarHBondContact O-CB 3.38Å; M49-H52 PolarHBondContact O-N 3.2Å; R50-H52 VanDerWaalsContact C-N 3.32Å; H52-C54 VanDerWaalsContact C-N 3.29Å; H52-C54 PolarHBondContact O-N 2.88Å; H52-W55 WeakPolarHBondContact O-CB 3.07Å; H52-W55 PolarHBondContact O-N 3.47Å; H52-W55 VanDerWaalsContact O-N 3.15Å; H52-Q56 PolarHBondContact NE2-NE2 3.13Å; H52-Q56 WeakPolarHBondContact O-CG 3.47Å; H52-Q56 PolarHBondContact O-N 3.33Å; H52-L83 HydrophobicContact CB-CD1 3.91Å; H52-L83 PolarHBondContact NE2-O 2.99Å; H52-Y275 HydrophobicContact CB-CE1 3.84Å; H52-Y275 AromaticContact ND1-CE1 3.99Å; H52-Y275 AromaticContact ND1-CZ 3.89Å; H52-Y275 PolarHBondContact ND1-OH 3.07Å
53T94.6Very high94.5Very high50 Ų5033.1 Ų33.131%0.30718%0.177SC..Hα-helixtrans-59.3-43.3176.3-59.70000110.6M49 R50 W55 Q56 S57 E413M49-T53 PolarHBondContact O-N 3.46Å; M49-T53 PolarHBondContact O-OG1 2.87Å; R50-T53 PolarHBondContact O-N 2.74Å; T53-W55 PolarHBondContact O-N 3.43Å; T53-Q56 PolarHBondContact O-N 3.39Å; T53-S57 WeakPolarHBondContact O-CB 3.3Å; T53-S57 PolarHBondContact O-N 3.17Å; T53-S57 PolarHBondContact O-OG 3.5Å; T53-E413 PolarHBondContact OG1-OE1 3.11Å
54C95.6Very high94.7Very high22 Ų2233.8 Ų33.815%0.14918%0.181CC..Hα-helixtrans-54.9-51173178.80000111.3R50 Q51 H52 S57 M58 F274R50-C54 WeakPolarHBondContact O-CB 2.96Å; R50-C54 PolarHBondContact O-N 3.23Å; Q51-C54 WeakPolarHBondContact O-CB 3.47Å; Q51-C54 PolarHBondContact O-N 2.88Å; H52-C54 VanDerWaalsContact C-N 3.29Å; H52-C54 PolarHBondContact O-N 2.88Å; C54-S57 PolarHBondContact O-N 3.01Å; C54-S57 PolarHBondContact O-OG 2.87Å; C54-M58 HydrophobicContact CB-CE 4.33Å; C54-M58 WeakPolarHBondContact O-CE 3.42Å; C54-M58 PolarHBondContact O-N 3.21Å; C54-M58 WeakPolarHBondContact SG-CE 3.34Å; C54-F274 HydrophobicContact CB-CZ 4.47Å
55W96.7Very high94.9Very high4 Ų433 Ų332%0.01518%0.176CC..Hα-helixtrans-58.9-52.9176.7-174.7-83.4000112.6Q51 H52 T53 S57 M58 V59 V62 P64 F237 L244 A269 P271 F274Q51-W55 WeakPolarHBondContact O-CB 3.33Å; Q51-W55 PolarHBondContact O-N 3.44Å; H52-W55 WeakPolarHBondContact O-CB 3.07Å; H52-W55 PolarHBondContact O-N 3.47Å; H52-W55 VanDerWaalsContact O-N 3.15Å; T53-W55 PolarHBondContact O-N 3.43Å; W55-S57 PolarHBondContact O-N 3.43Å; W55-M58 PolarHBondContact O-N 3.06Å; W55-V59 HydrophobicContact CD2-CG2 3.54Å; W55-V59 HydrophobicContact CE3-CG2 4.05Å; W55-V59 HydrophobicContact CG-CG2 3.84Å; W55-V59 HydrophobicContact CH2-CG2 4.29Å; W55-V59 HydrophobicContact CZ2-CG2 3.8Å; W55-V59 HydrophobicContact CZ3-CG2 4.4Å; W55-V59 VanDerWaalsContact O-CG2 3.22Å; W55-V59 WeakPolarHBondContact O-CG2 3.19Å; W55-V59 PolarHBondContact O-N 3.04Å; W55-V62 HydrophobicContact CZ2-CB 4.31Å; W55-V62 HydrophobicContact CZ2-CG1 3.96Å; W55-V62 PolarHBondContact NE1-O 3.12Å; W55-P64 HydrophobicContact CD2-CB 4.5Å; W55-P64 HydrophobicContact CZ2-CB 4.42Å; W55-F237 HydrophobicContact CH2-CD1 4.23Å; W55-F237 HydrophobicContact CH2-CD2 4.2Å; W55-F237 AromaticContact CH2-CE1 3.85Å; W55-F237 HydrophobicContact CH2-CE1 3.85Å; W55-F237 AromaticContact CH2-CE2 3.85Å; W55-F237 HydrophobicContact CH2-CE2 3.85Å; W55-F237 HydrophobicContact CH2-CG 4.39Å; W55-F237 AromaticContact CH2-CZ 3.66Å; W55-F237 HydrophobicContact CH2-CZ 3.66Å; W55-F237 AromaticContact CZ3-CD1 3.86Å; W55-F237 HydrophobicContact CZ3-CD1 3.86Å; W55-F237 HydrophobicContact CZ3-CD2 4.2Å; W55-F237 AromaticContact CZ3-CE1 3.91Å; W55-F237 HydrophobicContact CZ3-CE1 3.91Å; W55-F237 HydrophobicContact CZ3-CE2 4.29Å; W55-F237 HydrophobicContact CZ3-CG 4Å; W55-F237 HydrophobicContact CZ3-CZ 4.15Å; W55-L244 HydrophobicContact CE3-CD1 4.24Å; W55-L244 HydrophobicContact CE3-CD2 4.09Å; W55-L244 HydrophobicContact CZ3-CD1 4Å; W55-A269 HydrophobicContact CH2-CB 3.64Å; W55-A269 HydrophobicContact CZ2-CB 3.67Å; W55-P271 HydrophobicContact CE3-CB 4.16Å; W55-P271 HydrophobicContact CE3-CG 4.27Å; W55-P271 HydrophobicContact CH2-CB 4.05Å; W55-P271 HydrophobicContact CH2-CG 3.96Å; W55-P271 HydrophobicContact CZ2-CG 4.3Å; W55-P271 HydrophobicContact CZ3-CB 3.67Å; W55-P271 HydrophobicContact CZ3-CG 3.95Å; W55-F274 HydrophobicContact CB-CE1 3.93Å; W55-F274 HydrophobicContact CB-CZ 4.15Å; W55-F274 HydrophobicContact CD2-CE1 4.44Å; W55-F274 AromaticContact CE3-CD1 3.96Å; W55-F274 HydrophobicContact CE3-CD1 3.96Å; W55-F274 AromaticContact CE3-CE1 3.74Å; W55-F274 HydrophobicContact CE3-CE1 3.74Å; W55-F274 HydrophobicContact CE3-CE2 4.43Å; W55-F274 HydrophobicContact CE3-CG 4.41Å; W55-F274 AromaticContact CE3-CZ 4Å; W55-F274 HydrophobicContact CE3-CZ 4Å
56Q94.9Very high95.2Very high105 Ų10532.9 Ų32.949%0.49118%0.176SC..Hα-helixtrans-59.6-35.9-179-71.4-171.1-21.600112.2H52 T53 P60H52-Q56 PolarHBondContact NE2-NE2 3.13Å; H52-Q56 WeakPolarHBondContact O-CG 3.47Å; H52-Q56 PolarHBondContact O-N 3.33Å; T53-Q56 PolarHBondContact O-N 3.39Å; Q56-P60 WeakPolarHBondContact O-CB 3.5Å
57S95.1Very high95.3Very high87 Ų8733.2 Ų33.261%0.60818%0.178SC*.Hα-helixtrans-71.8-35.6-179.574.60000113.5T53 C54 W55T53-S57 WeakPolarHBondContact O-CB 3.3Å; T53-S57 PolarHBondContact O-N 3.17Å; T53-S57 PolarHBondContact O-OG 3.5Å; C54-S57 PolarHBondContact O-N 3.01Å; C54-S57 PolarHBondContact O-OG 2.87Å; W55-S57 PolarHBondContact O-N 3.43Å
58M94.8Very high95.2Very high27 Ų2733 Ų3313%0.13318%0.176CC..Hα-helixtrans-94.9-39.5-174.2-76.1-174.5-81.200113.4C54 W55 P60 E241 L244 K245 E248C54-M58 HydrophobicContact CB-CE 4.33Å; C54-M58 WeakPolarHBondContact O-CE 3.42Å; C54-M58 PolarHBondContact O-N 3.21Å; C54-M58 WeakPolarHBondContact SG-CE 3.34Å; W55-M58 PolarHBondContact O-N 3.06Å; M58-P60 WeakPolarHBondContact O-CD 3.38Å; M58-E241 HydrophobicContact CE-CB 4.46Å; M58-E241 HydrophobicContact CE-CG 3.6Å; M58-E241 HydrophobicContact SD-CG 3.89Å; M58-L244 HydrophobicContact CB-CD2 4.38Å; M58-L244 HydrophobicContact CB-CG 4.47Å; M58-L244 HydrophobicContact CE-CB 4.26Å; M58-L244 HydrophobicContact CE-CD2 3.4Å; M58-L244 HydrophobicContact CE-CG 3.93Å; M58-L244 HydrophobicContact SD-CB 4.47Å; M58-L244 HydrophobicContact SD-CD2 4.26Å; M58-L244 HydrophobicContact SD-CG 4.18Å; M58-K245 HydrophobicContact SD-CD 4.32Å; M58-K245 HydrophobicContact SD-CG 3.5Å; M58-K245 VanDerWaalsContact SD-CG 3.5Å; M58-E248 WeakPolarHBondContact O-CG 3.34Å
59V93.6Very high94.9Very high8 Ų839 Ų395%0.04820%0.202CC..  trans-127.753.7-174.4-70.10000112W55 Q61 V62 L244 E248W55-V59 HydrophobicContact CD2-CG2 3.54Å; W55-V59 HydrophobicContact CE3-CG2 4.05Å; W55-V59 HydrophobicContact CG-CG2 3.84Å; W55-V59 HydrophobicContact CH2-CG2 4.29Å; W55-V59 HydrophobicContact CZ2-CG2 3.8Å; W55-V59 HydrophobicContact CZ3-CG2 4.4Å; W55-V59 VanDerWaalsContact O-CG2 3.22Å; W55-V59 WeakPolarHBondContact O-CG2 3.19Å; W55-V59 PolarHBondContact O-N 3.04Å; V59-Q61 PolarHBondContact O-N 3.41Å; V59-Q61 VanDerWaalsContact O-N 3.07Å; V59-V62 HydrophobicContact CB-CB 4.37Å; V59-V62 HydrophobicContact CB-CG2 4.39Å; V59-V62 PolarHBondContact O-N 3.28Å; V59-L244 HydrophobicContact CG1-CD1 4.13Å; V59-L244 HydrophobicContact CG2-CD1 4.21Å; V59-E248 HydrophobicContact CG1-CB 3.86Å; V59-E248 HydrophobicContact CG1-CG 3.69Å
60P92.3Very high94.6Very high95 Ų9539.7 Ų39.762%0.61721%0.208SC*.THydrogen-bonded Turntrans-60.4-24.7-173.924.4-34.6000114.1Q56 M58 V62Q56-P60 WeakPolarHBondContact O-CB 3.5Å; M58-P60 WeakPolarHBondContact O-CD 3.38Å; P60-V62 VanDerWaalsContact C-N 3.29Å
61Q92.4Very high94.4Very high66 Ų6635.7 Ų35.731%0.30819%0.194SC..THydrogen-bonded Turntrans-79.5-6.917869.1-81.79.100114.2V59V59-Q61 PolarHBondContact O-N 3.41Å; V59-Q61 VanDerWaalsContact O-N 3.07Å
62V96.3Very high94.1Very high6 Ų635.8 Ų35.84%0.03620%0.197CC..EExtended strand (participates in β ladder)trans-113.9116.7-177.5-173.90000109.9W55 V59 P60 P64 I233 L255 V267 A269W55-V62 HydrophobicContact CZ2-CB 4.31Å; W55-V62 HydrophobicContact CZ2-CG1 3.96Å; W55-V62 PolarHBondContact NE1-O 3.12Å; V59-V62 HydrophobicContact CB-CB 4.37Å; V59-V62 HydrophobicContact CB-CG2 4.39Å; V59-V62 PolarHBondContact O-N 3.28Å; P60-V62 VanDerWaalsContact C-N 3.29Å; V62-P64 WeakPolarHBondContact O-CD 3.47Å; V62-I233 HydrophobicContact CG1-CD1 4.27Å; V62-L255 HydrophobicContact CG2-CD1 4.29Å; V62-V267 WeakPolarHBondContact CA-O 3.35Å; V62-V267 HydrophobicContact CG1-CG1 4.25Å; V62-V267 HydrophobicContact CG2-CG1 4.12Å; V62-A269 HydrophobicContact CG1-CB 3.53Å
63Q97.3Very high93.8Very high60 Ų6036 Ų3628%0.2820%0.2SC..EExtended strand (participates in β ladder)trans-81.9125.8-179.2-172.9173.2-900111.2Y65 V267 L268 A269Q63-Y65 HydrophobicContact CG-CD2 4.32Å; Q63-Y65 HydrophobicContact CG-CE2 3.96Å; Q63-V267 PolarHBondContact N-O 3.32Å; Q63-L268 HydrophobicContact CB-CD2 3.83Å; Q63-L268 HydrophobicContact CG-CD2 4.46Å; Q63-L268 WeakPolarHBondContact O-CA 3.42Å; Q63-A269 PolarHBondContact O-N 3.22Å
64P97.9Very high93.5Very high13 Ų1335.3 Ų35.38%0.08420%0.196CC..EExtended strand (participates in β ladder)trans-78128.6178.929-31.9000112W55 V62 L85 G86 P271 Y275W55-P64 HydrophobicContact CD2-CB 4.5Å; W55-P64 HydrophobicContact CZ2-CB 4.42Å; V62-P64 WeakPolarHBondContact O-CD 3.47Å; P64-L85 HydrophobicContact CB-CD2 4.24Å; P64-L85 HydrophobicContact CB-CG 4.33Å; P64-L85 HydrophobicContact CG-CD2 4.4Å; P64-L85 HydrophobicContact CG-CG 4.01Å; P64-G86 PolarHBondContact O-N 2.98Å; P64-G86 VanDerWaalsContact O-N 3.11Å; P64-P271 HydrophobicContact CB-CG 3.69Å; P64-Y275 HydrophobicContact CB-CE2 4.2Å
65Y98.4Very high93.1Very high6 Ų634.2 Ų34.22%0.02419%0.189CC..EExtended strand (participates in β ladder)trans-115.7108.8169-83.8-118.3000109.4Q63 P67 G86 N107 I109 L268 A269 Q270Q63-Y65 HydrophobicContact CG-CD2 4.32Å; Q63-Y65 HydrophobicContact CG-CE2 3.96Å; Y65-P67 VanDerWaalsContact O-CD 3.3Å; Y65-P67 WeakPolarHBondContact O-CD 3.14Å; Y65-G86 CarbonylContact C-O 3.39Å; Y65-G86 VanDerWaalsContact CA-O 3.26Å; Y65-G86 WeakPolarHBondContact CA-O 3.47Å; Y65-N107 VanDerWaalsContact CE1-O 3.23Å; Y65-N107 WeakPolarHBondContact CE1-O 3.38Å; Y65-I109 HydrophobicContact CD1-CD1 3.66Å; Y65-I109 HydrophobicContact CD1-CG1 3.92Å; Y65-I109 HydrophobicContact CE1-CD1 3.8Å; Y65-I109 HydrophobicContact CE1-CG1 3.87Å; Y65-I109 HydrophobicContact CG-CD1 4.32Å; Y65-L268 HydrophobicContact CD2-CB 4.36Å; Y65-L268 HydrophobicContact CD2-CD1 4.12Å; Y65-L268 HydrophobicContact CD2-CD2 3.83Å; Y65-L268 HydrophobicContact CD2-CG 4.33Å; Y65-L268 HydrophobicContact CE2-CD1 3.89Å; Y65-L268 HydrophobicContact CE2-CD2 3.41Å; Y65-L268 VanDerWaalsContact CE2-CD2 3.41Å; Y65-L268 HydrophobicContact CE2-CG 4.19Å; Y65-A269 PolarHBondContact N-O 3.01Å; Y65-Q270 VanDerWaalsContact O-CA 3.27Å; Y65-Q270 WeakPolarHBondContact O-CA 3.48Å
66Y97.8Very high92.9Very high0 Ų034 Ų340%019%0.188CC..EExtended strand (participates in β ladder)trans-73.7123-174.3176.2-106.7000112.3V68 C70 N71 V76 I77 L80 G86 F87 V88 V276Y66-V68 PolarHBondContact O-N 3.39Å; Y66-C70 HydrophobicContact CE2-CB 4.34Å; Y66-N71 WeakPolarHBondContact CE1-O 3.31Å; Y66-N71 WeakPolarHBondContact OH-CA 3.5Å; Y66-N71 VanDerWaalsContact OH-CB 3.24Å; Y66-N71 WeakPolarHBondContact OH-CB 3.41Å; Y66-N71 PolarHBondContact OH-N 3.16Å; Y66-N71 PolarHBondContact OH-O 3.29Å; Y66-V76 HydrophobicContact CE1-CG1 4.38Å; Y66-I77 HydrophobicContact CD1-CD1 4.06Å; Y66-I77 HydrophobicContact CE1-CD1 3.82Å; Y66-L80 HydrophobicContact CD1-CD1 3.76Å; Y66-L80 HydrophobicContact CD2-CD1 3.6Å; Y66-L80 HydrophobicContact CE1-CD1 4.09Å; Y66-L80 HydrophobicContact CE2-CD1 3.95Å; Y66-L80 HydrophobicContact CG-CD1 3.49Å; Y66-L80 VanDerWaalsContact CG-CD1 3.49Å; Y66-G86 PolarHBondContact N-O 3.48Å; Y66-F87 AromaticContact CD1-CD1 3.89Å; Y66-F87 HydrophobicContact CD1-CD1 3.89Å; Y66-F87 AromaticContact CD1-CE1 3.81Å; Y66-F87 HydrophobicContact CD1-CE1 3.81Å; Y66-F87 HydrophobicContact CG-CE1 4.47Å; Y66-F87 CarbonylContact O-C 3.52Å; Y66-F87 WeakPolarHBondContact O-CA 3.49Å; Y66-V88 PolarHBondContact O-N 3.25Å; Y66-V276 HydrophobicContact CE2-CG1 3.93Å
67P94.8Very high92.8Very high8 Ų829 Ų295%0.05216%0.164CC..EExtended strand (participates in β ladder)trans-72.3112171.8-18.334.3000111.4Y65 K69 C70 V88 Q270Y65-P67 VanDerWaalsContact O-CD 3.3Å; Y65-P67 WeakPolarHBondContact O-CD 3.14Å; P67-K69 HydrophobicContact CB-CG 4.25Å; P67-K69 PolarHBondContact O-N 2.92Å; P67-C70 WeakPolarHBondContact O-CB 3.42Å; P67-C70 PolarHBondContact O-N 3.06Å; P67-V88 WeakPolarHBondContact CA-O 3.35Å; P67-Q270 HydrophobicContact CG-CB 3.87Å
68V93.4Very high92.6Very high0 Ų025.1 Ų25.10%014%0.137CC..G310 helixtrans-59.6-35.5-174.8179.30000112Y66 C70 N71 S72 I77 F87 V88 E94 L97 V98Y66-V68 PolarHBondContact O-N 3.39Å; V68-C70 PolarHBondContact O-N 3.41Å; V68-N71 CarbonylContact O-C 3.57Å; V68-N71 PolarHBondContact O-N 3.37Å; V68-N71 VanDerWaalsContact O-N 3.14Å; V68-S72 PolarHBondContact O-N 3.44Å; V68-I77 HydrophobicContact CG1-CD1 4.14Å; V68-I77 HydrophobicContact CG2-CD1 4.19Å; V68-F87 HydrophobicContact CG2-CB 4.38Å; V68-F87 HydrophobicContact CG2-CD1 3.91Å; V68-V88 PolarHBondContact N-O 2.89Å; V68-E94 HydrophobicContact CB-CB 4.12Å; V68-E94 HydrophobicContact CB-CG 4.03Å; V68-E94 HydrophobicContact CG1-CB 3.91Å; V68-E94 HydrophobicContact CG1-CG 3.66Å; V68-L97 HydrophobicContact CG1-CD2 4.21Å; V68-V98 HydrophobicContact CG2-CG2 3.56Å
69K88Confident92.4Very high125 Ų12523.9 Ų23.954%0.54313%0.13SC..G310 helixtrans-54.9-20.2176.469.7175.1-174.81740115.3P67P67-K69 HydrophobicContact CB-CG 4.25Å; P67-K69 PolarHBondContact O-N 2.92Å
70C86.9Confident92.5Very high22 Ų2223.5 Ų23.515%0.14913%0.128CC..G310 helixtrans-73.3-36.5179.9-72.30000112.3Y66 P67 V68 V276 T385 C386Y66-C70 HydrophobicContact CE2-CB 4.34Å; P67-C70 WeakPolarHBondContact O-CB 3.42Å; P67-C70 PolarHBondContact O-N 3.06Å; V68-C70 PolarHBondContact O-N 3.41Å; C70-V276 HydrophobicContact CB-CG2 4.43Å; C70-T385 WeakPolarHBondContact O-CA 3.14Å; C70-C386 PolarHBondContact O-N 2.81Å
71N89.4Confident92.5Very high13 Ų1320 Ų207%0.0711%0.107CC..  trans-167.8110.2172.6-170.7-38.1000107.3Y66 V68 S73 V276 G384Y66-N71 WeakPolarHBondContact CE1-O 3.31Å; Y66-N71 WeakPolarHBondContact OH-CA 3.5Å; Y66-N71 VanDerWaalsContact OH-CB 3.24Å; Y66-N71 WeakPolarHBondContact OH-CB 3.41Å; Y66-N71 PolarHBondContact OH-N 3.16Å; Y66-N71 PolarHBondContact OH-O 3.29Å; V68-N71 CarbonylContact O-C 3.57Å; V68-N71 PolarHBondContact O-N 3.37Å; V68-N71 VanDerWaalsContact O-N 3.14Å; N71-S73 VanDerWaalsContact C-N 3.3Å; N71-S73 WeakPolarHBondContact OD1-CB 3.27Å; N71-S73 PolarHBondContact OD1-N 3.32Å; N71-V276 HydrophobicContact CB-CB 4.33Å; N71-V276 HydrophobicContact CB-CG1 4.17Å; N71-V276 HydrophobicContact CB-CG2 4.14Å; N71-G384 WeakPolarHBondContact CB-O 3.29Å; N71-G384 PolarHBondContact ND2-O 3.05Å
72S89.9Confident92.5Very high25 Ų2518 Ų1818%0.17510%0.101CC..  trans-91.713.5-177.357.10000112.9V68 P74 L97 E389V68-S72 PolarHBondContact O-N 3.44Å; S72-P74 WeakPolarHBondContact O-CD 3.46Å; S72-L97 WeakPolarHBondContact O-CD2 3.28Å; S72-E389 VanDerWaalsContact CB-OE1 3.29Å; S72-E389 WeakPolarHBondContact CB-OE1 3.23Å; S72-E389 VanDerWaalsContact OG-CD 3.24Å; S72-E389 PolarHBondContact OG-OE1 2.75Å
73S89.1Confident92.2Very high15 Ų1518.6 Ų18.611%0.10510%0.104CC..  trans-54124.5175.2166.70000110N71 A75 V76 I77 Y404N71-S73 VanDerWaalsContact C-N 3.3Å; N71-S73 WeakPolarHBondContact OD1-CB 3.27Å; N71-S73 PolarHBondContact OD1-N 3.32Å; S73-A75 PolarHBondContact O-N 3.26Å; S73-A75 VanDerWaalsContact O-N 3.15Å; S73-A75 PolarHBondContact OG-N 2.86Å; S73-V76 WeakPolarHBondContact O-CB 3.46Å; S73-V76 PolarHBondContact O-N 2.78Å; S73-I77 WeakPolarHBondContact O-CG1 3.22Å; S73-I77 PolarHBondContact O-N 2.65Å; S73-Y404 PolarHBondContact OG-OH 3.05Å
74P88.4Confident92Very high34 Ų3418.1 Ų18.122%0.22111%0.114CC..Hα-helixtrans-56.6-32.6177.8-28.838.5000112.8Y10 S72 V76 I77 E78 L97Y10-P74 HydrophobicContact CE2-CB 3.83Å; Y10-P74 VanDerWaalsContact OH-CB 3.27Å; Y10-P74 WeakPolarHBondContact OH-CB 3.23Å; Y10-P74 WeakPolarHBondContact OH-CG 3.43Å; S72-P74 WeakPolarHBondContact O-CD 3.46Å; P74-V76 PolarHBondContact O-N 3.35Å; P74-I77 PolarHBondContact O-N 2.65Å; P74-E78 WeakPolarHBondContact O-CB 3.31Å; P74-E78 PolarHBondContact O-N 3.49Å; P74-L97 HydrophobicContact CB-CD1 4.33Å; P74-L97 HydrophobicContact CG-CD1 4.02Å
75A88.1Confident91.9Very high0 Ų017.7 Ų17.70%011%0.111CC..Hα-helixtrans-62.4-42.6175.100000112.2S73 V79 Y404 F428S73-A75 PolarHBondContact O-N 3.26Å; S73-A75 VanDerWaalsContact O-N 3.15Å; S73-A75 PolarHBondContact OG-N 2.86Å; A75-V79 VanDerWaalsContact O-CG2 3.32Å; A75-V79 WeakPolarHBondContact O-CG2 3.43Å; A75-V79 PolarHBondContact O-N 3.29Å; A75-V79 VanDerWaalsContact O-N 3.08Å; A75-Y404 HydrophobicContact CB-CD1 4.34Å; A75-Y404 HydrophobicContact CB-CD2 4.21Å; A75-Y404 HydrophobicContact CB-CE1 3.94Å; A75-Y404 HydrophobicContact CB-CE2 3.79Å; A75-Y404 HydrophobicContact CB-CG 4.47Å; A75-F428 HydrophobicContact CB-CE1 3.67Å; A75-F428 HydrophobicContact CB-CZ 3.72Å
76V91.4Very high91.9Very high0 Ų017.4 Ų17.40%011%0.11CC..Hα-helixtrans-65-45.6175.2175.20000110.4L48 Y66 S73 P74 E78 V79 L80 V276 F280L48-V76 HydrophobicContact CD1-CB 4.46Å; L48-V76 HydrophobicContact CD1-CG1 4.19Å; L48-V76 HydrophobicContact CD1-CG2 4.31Å; Y66-V76 HydrophobicContact CE1-CG1 4.38Å; S73-V76 WeakPolarHBondContact O-CB 3.46Å; S73-V76 PolarHBondContact O-N 2.78Å; P74-V76 PolarHBondContact O-N 3.35Å; V76-E78 VanDerWaalsContact C-N 3.35Å; V76-E78 PolarHBondContact O-N 3.45Å; V76-V79 PolarHBondContact O-N 3.45Å; V76-L80 HydrophobicContact CG1-CD1 3.74Å; V76-L80 HydrophobicContact CG1-CG 4.22Å; V76-L80 WeakPolarHBondContact O-CB 3.42Å; V76-L80 VanDerWaalsContact O-CG 3.31Å; V76-L80 WeakPolarHBondContact O-CG 3.34Å; V76-L80 PolarHBondContact O-N 3.27Å; V76-V276 HydrophobicContact CG1-CG1 3.76Å; V76-F280 HydrophobicContact CG2-CE2 4.02Å; V76-F280 HydrophobicContact CG2-CZ 3.6Å
77I92.7Very high91.9Very high0 Ų017.4 Ų17.40%011%0.11CC..Hα-helixtrans-60.7-44.6179.3-58.9-55.4000110.9Y66 V68 S73 P74 L80 A81 F87 L97 V98 H101Y66-I77 HydrophobicContact CD1-CD1 4.06Å; Y66-I77 HydrophobicContact CE1-CD1 3.82Å; V68-I77 HydrophobicContact CG1-CD1 4.14Å; V68-I77 HydrophobicContact CG2-CD1 4.19Å; S73-I77 WeakPolarHBondContact O-CG1 3.22Å; S73-I77 PolarHBondContact O-N 2.65Å; P74-I77 PolarHBondContact O-N 2.65Å; I77-L80 PolarHBondContact O-N 2.86Å; I77-A81 WeakPolarHBondContact O-CB 3.05Å; I77-A81 PolarHBondContact O-N 2.97Å; I77-F87 HydrophobicContact CB-CE1 4.49Å; I77-F87 HydrophobicContact CD1-CD1 4.13Å; I77-F87 HydrophobicContact CD1-CE1 3.67Å; I77-F87 HydrophobicContact CG2-CE1 3.96Å; I77-F87 HydrophobicContact CG2-CZ 4.13Å; I77-L97 HydrophobicContact CG1-CD2 3.97Å; I77-L97 HydrophobicContact CG1-CG 4.36Å; I77-V98 HydrophobicContact CG2-CG2 4.28Å; I77-H101 HydrophobicContact CG2-CB 4.07Å
78E91.1Very high92.1Very high5 Ų517.4 Ų17.42%0.02311%0.11CC..Hα-helixtrans-63.9-44.3179.5-167.5164.3169.600112.2P74 V76 S82 H101 A424 M425 K426 N427 F428P74-E78 WeakPolarHBondContact O-CB 3.31Å; P74-E78 PolarHBondContact O-N 3.49Å; V76-E78 VanDerWaalsContact C-N 3.35Å; V76-E78 PolarHBondContact O-N 3.45Å; E78-S82 WeakPolarHBondContact O-CB 3.35Å; E78-S82 PolarHBondContact O-N 3.3Å; E78-S82 PolarHBondContact O-OG 3.12Å; E78-H101 IonicContact OE2-CD2 3.97Å; E78-H101 IonicContact OE2-NE2 3.27Å; E78-A424 WeakPolarHBondContact CG-O 3.44Å; E78-M425 WeakPolarHBondContact OE1-CA 3.33Å; E78-K426 PolarHBondContact OE1-N 3.42Å; E78-N427 PolarHBondContact OE1-N 3.29Å; E78-N427 VanDerWaalsContact OE2-CB 3.28Å; E78-N427 WeakPolarHBondContact OE2-CB 3.25Å; E78-N427 PolarHBondContact OE2-ND2 2.96Å; E78-F428 HydrophobicContact CB-CE2 3.76Å; E78-F428 HydrophobicContact CB-CZ 4.23Å; E78-F428 VanDerWaalsContact CD-CE2 3.49Å; E78-F428 HydrophobicContact CG-CD2 4.23Å; E78-F428 HydrophobicContact CG-CE2 3.62Å
79V91.9Very high92.2Very high0 Ų017.4 Ų17.40%011%0.11CC..Hα-helixtrans-61-53175.2167.30000110.9L45 L48 A75 V76 A81 S82 L83 M414 M425 F428L45-V79 HydrophobicContact CD1-CG2 4.3Å; L45-V79 HydrophobicContact CD2-CG2 4.43Å; L48-V79 HydrophobicContact CB-CG1 4.02Å; L48-V79 HydrophobicContact CD1-CB 4.05Å; L48-V79 HydrophobicContact CD1-CG1 3.76Å; A75-V79 VanDerWaalsContact O-CG2 3.32Å; A75-V79 WeakPolarHBondContact O-CG2 3.43Å; A75-V79 PolarHBondContact O-N 3.29Å; A75-V79 VanDerWaalsContact O-N 3.08Å; V76-V79 PolarHBondContact O-N 3.45Å; V79-A81 VanDerWaalsContact C-N 3.34Å; V79-A81 PolarHBondContact O-N 2.84Å; V79-S82 WeakPolarHBondContact O-CB 3.12Å; V79-S82 PolarHBondContact O-N 3.17Å; V79-S82 VanDerWaalsContact O-N 3.16Å; V79-L83 HydrophobicContact CG1-CD1 4.12Å; V79-L83 WeakPolarHBondContact O-CG 3.38Å; V79-L83 PolarHBondContact O-N 3.47Å; V79-M414 HydrophobicContact CB-CE 4.33Å; V79-M414 HydrophobicContact CG1-CE 3.46Å; V79-M414 VanDerWaalsContact CG1-CE 3.46Å; V79-M414 HydrophobicContact CG2-CE 4.17Å; V79-M425 HydrophobicContact CG2-CE 3.84Å; V79-F428 HydrophobicContact CG2-CE2 4.32Å; V79-F428 HydrophobicContact CG2-CZ 4.15Å
80L94.5Very high92.4Very high0 Ų012.7 Ų12.70%010%0.095CC..Hα-helixtrans-66.8-35.4-177-65.9-178.6000112.4L48 Y66 V76 I77 S82 L83 G84 L85 F87 Y275L48-L80 HydrophobicContact CB-CD2 4.34Å; Y66-L80 HydrophobicContact CD1-CD1 3.76Å; Y66-L80 HydrophobicContact CD2-CD1 3.6Å; Y66-L80 HydrophobicContact CE1-CD1 4.09Å; Y66-L80 HydrophobicContact CE2-CD1 3.95Å; Y66-L80 HydrophobicContact CG-CD1 3.49Å; Y66-L80 VanDerWaalsContact CG-CD1 3.49Å; V76-L80 HydrophobicContact CG1-CD1 3.74Å; V76-L80 HydrophobicContact CG1-CG 4.22Å; V76-L80 WeakPolarHBondContact O-CB 3.42Å; V76-L80 VanDerWaalsContact O-CG 3.31Å; V76-L80 WeakPolarHBondContact O-CG 3.34Å; V76-L80 PolarHBondContact O-N 3.27Å; I77-L80 PolarHBondContact O-N 2.86Å; L80-S82 VanDerWaalsContact C-N 3.32Å; L80-L83 HydrophobicContact CD2-CD1 4.41Å; L80-L83 PolarHBondContact O-N 2.92Å; L80-G84 PolarHBondContact O-N 3.14Å; L80-L85 HydrophobicContact CB-CB 4.44Å; L80-L85 HydrophobicContact CB-CD1 4.37Å; L80-L85 HydrophobicContact CB-CD2 4.18Å; L80-L85 HydrophobicContact CD1-CD2 4.34Å; L80-L85 HydrophobicContact CD2-CD1 4.27Å; L80-L85 HydrophobicContact CD2-CD2 3.98Å; L80-L85 HydrophobicContact CG-CD2 4.39Å; L80-L85 WeakPolarHBondContact O-CB 3.46Å; L80-L85 VanDerWaalsContact O-CD1 3.32Å; L80-L85 WeakPolarHBondContact O-CD1 3.44Å; L80-L85 PolarHBondContact O-N 2.9Å; L80-L85 VanDerWaalsContact O-N 3.12Å; L80-F87 HydrophobicContact CB-CE1 4.37Å; L80-F87 HydrophobicContact CB-CZ 3.99Å; L80-Y275 HydrophobicContact CD2-CD1 3.63Å; L80-Y275 HydrophobicContact CD2-CE1 3.99Å; L80-Y275 HydrophobicContact CD2-CG 4.11Å
81A93.8Very high92.6Very high22 Ų2213.6 Ų13.618%0.18210%0.098CC..Hα-helixtrans-63.8-40.7173.300000111.3I77 V79 L83 G84 F87 V103I77-A81 WeakPolarHBondContact O-CB 3.05Å; I77-A81 PolarHBondContact O-N 2.97Å; V79-A81 VanDerWaalsContact C-N 3.34Å; V79-A81 PolarHBondContact O-N 2.84Å; A81-L83 VanDerWaalsContact C-N 3.27Å; A81-L83 PolarHBondContact O-N 3.38Å; A81-G84 WeakPolarHBondContact O-CA 3.26Å; A81-G84 PolarHBondContact O-N 3.45Å; A81-F87 HydrophobicContact CB-CE2 3.95Å; A81-F87 HydrophobicContact CB-CZ 3.99Å; A81-V103 HydrophobicContact CB-CG2 3.52Å
82S90.7Very high92.8Very high24 Ų2417.8 Ų17.817%0.16812%0.115CC..Hα-helixtrans-64.9-31.6176.3-58.80000112.8E78 V79 L80 G84 V419 A424E78-S82 WeakPolarHBondContact O-CB 3.35Å; E78-S82 PolarHBondContact O-N 3.3Å; E78-S82 PolarHBondContact O-OG 3.12Å; V79-S82 WeakPolarHBondContact O-CB 3.12Å; V79-S82 PolarHBondContact O-N 3.17Å; V79-S82 VanDerWaalsContact O-N 3.16Å; L80-S82 VanDerWaalsContact C-N 3.32Å; S82-G84 PolarHBondContact O-N 3.46Å; S82-V419 VanDerWaalsContact CB-CG1 3.46Å; S82-A424 WeakPolarHBondContact OG-CB 3.45Å; S82-A424 PolarHBondContact OG-O 3.42Å; S82-A424 VanDerWaalsContact OG-O 3.1Å
83L91.4Very high92.9Very high19 Ų1919.7 Ų19.710%0.09913%0.133CC..THydrogen-bonded Turntrans-78.10.4172.8-63.4174.6000113.1M49 H52 V79 L80 A81 L85 V419M49-L83 HydrophobicContact SD-CD1 4.27Å; M49-L83 HydrophobicContact SD-CD2 3.48Å; M49-L83 WeakPolarHBondContact SD-CD2 3.48Å; H52-L83 HydrophobicContact CB-CD1 3.91Å; H52-L83 PolarHBondContact NE2-O 2.99Å; V79-L83 HydrophobicContact CG1-CD1 4.12Å; V79-L83 WeakPolarHBondContact O-CG 3.38Å; V79-L83 PolarHBondContact O-N 3.47Å; L80-L83 HydrophobicContact CD2-CD1 4.41Å; L80-L83 PolarHBondContact O-N 2.92Å; A81-L83 VanDerWaalsContact C-N 3.27Å; A81-L83 PolarHBondContact O-N 3.38Å; L83-L85 HydrophobicContact CB-CD1 3.67Å; L83-V419 HydrophobicContact CD2-CG2 3.7Å; L83-V419 HydrophobicContact CG-CG2 4.38Å
84G92.4Very high93.2Very high49 Ų4919.4 Ų19.451%0.50513%0.13SC..THydrogen-bonded Turntrans80.618.3174.400000114.9L80 A81 S82L80-G84 PolarHBondContact O-N 3.14Å; A81-G84 WeakPolarHBondContact O-CA 3.26Å; A81-G84 PolarHBondContact O-N 3.45Å; S82-G84 PolarHBondContact O-N 3.46Å
85L96.1Very high93.6Very high4 Ų417.9 Ų17.92%0.02112%0.12CC..  trans-66.4149.7175.3-79.377000111.6P64 L80 L83 F87 Y275P64-L85 HydrophobicContact CB-CD2 4.24Å; P64-L85 HydrophobicContact CB-CG 4.33Å; P64-L85 HydrophobicContact CG-CD2 4.4Å; P64-L85 HydrophobicContact CG-CG 4.01Å; L80-L85 HydrophobicContact CB-CB 4.44Å; L80-L85 HydrophobicContact CB-CD1 4.37Å; L80-L85 HydrophobicContact CB-CD2 4.18Å; L80-L85 HydrophobicContact CD1-CD2 4.34Å; L80-L85 HydrophobicContact CD2-CD1 4.27Å; L80-L85 HydrophobicContact CD2-CD2 3.98Å; L80-L85 HydrophobicContact CG-CD2 4.39Å; L80-L85 WeakPolarHBondContact O-CB 3.46Å; L80-L85 VanDerWaalsContact O-CD1 3.32Å; L80-L85 WeakPolarHBondContact O-CD1 3.44Å; L80-L85 PolarHBondContact O-N 2.9Å; L80-L85 VanDerWaalsContact O-N 3.12Å; L83-L85 HydrophobicContact CB-CD1 3.67Å; L85-F87 WeakPolarHBondContact O-CE2 3.39Å; L85-Y275 HydrophobicContact CD2-CD2 4.2Å; L85-Y275 HydrophobicContact CD2-CE1 4.21Å; L85-Y275 HydrophobicContact CD2-CE2 3.65Å
86G98.1Very high94Very high0 Ų018.8 Ų18.80%013%0.126CC..EExtended strand (participates in β ladder)trans-79172.8160.100000111.2P64 Y65 Y66 N107P64-G86 PolarHBondContact O-N 2.98Å; P64-G86 VanDerWaalsContact O-N 3.11Å; Y65-G86 CarbonylContact C-O 3.39Å; Y65-G86 VanDerWaalsContact CA-O 3.26Å; Y65-G86 WeakPolarHBondContact CA-O 3.47Å; Y66-G86 PolarHBondContact N-O 3.48Å; G86-N107 CarbonylContact C-O 3.59Å; G86-N107 VanDerWaalsContact CA-O 3.3Å; G86-N107 WeakPolarHBondContact CA-O 3.3Å
87F98.4Very high94.1Very high0 Ų020.1 Ų20.10%013%0.133CC..EExtended strand (participates in β ladder)trans-134.9139.7-179.2-70.1-94.6000111.8Y66 V68 I77 L80 A81 L85 V98 V103 N107 I108 I109Y66-F87 AromaticContact CD1-CD1 3.89Å; Y66-F87 HydrophobicContact CD1-CD1 3.89Å; Y66-F87 AromaticContact CD1-CE1 3.81Å; Y66-F87 HydrophobicContact CD1-CE1 3.81Å; Y66-F87 HydrophobicContact CG-CE1 4.47Å; Y66-F87 CarbonylContact O-C 3.52Å; Y66-F87 WeakPolarHBondContact O-CA 3.49Å; V68-F87 HydrophobicContact CG2-CB 4.38Å; V68-F87 HydrophobicContact CG2-CD1 3.91Å; I77-F87 HydrophobicContact CB-CE1 4.49Å; I77-F87 HydrophobicContact CD1-CD1 4.13Å; I77-F87 HydrophobicContact CD1-CE1 3.67Å; I77-F87 HydrophobicContact CG2-CE1 3.96Å; I77-F87 HydrophobicContact CG2-CZ 4.13Å; L80-F87 HydrophobicContact CB-CE1 4.37Å; L80-F87 HydrophobicContact CB-CZ 3.99Å; A81-F87 HydrophobicContact CB-CE2 3.95Å; A81-F87 HydrophobicContact CB-CZ 3.99Å; L85-F87 WeakPolarHBondContact O-CE2 3.39Å; F87-V98 HydrophobicContact CB-CG1 3.81Å; F87-V98 HydrophobicContact CB-CG2 4Å; F87-V98 HydrophobicContact CD1-CG1 4.46Å; F87-V98 HydrophobicContact CD1-CG2 3.86Å; F87-V98 HydrophobicContact CD2-CG1 3.86Å; F87-V98 HydrophobicContact CG-CG1 3.78Å; F87-V98 HydrophobicContact CG-CG2 3.92Å; F87-V103 HydrophobicContact CD2-CB 4.39Å; F87-V103 HydrophobicContact CD2-CG1 3.79Å; F87-V103 HydrophobicContact CD2-CG2 3.82Å; F87-V103 HydrophobicContact CE2-CG1 4.26Å; F87-V103 HydrophobicContact CE2-CG2 3.53Å; F87-V103 HydrophobicContact CZ-CG2 4.37Å; F87-N107 PolarHBondContact N-O 3.03Å; F87-I108 WeakPolarHBondContact O-CA 3.46Å; F87-I109 PolarHBondContact O-N 3.3Å
88V97.5Very high94.2Very high8 Ų820.1 Ų20.15%0.04813%0.133CC..EExtended strand (participates in β ladder)trans-106.8117.6170.1-173.20000108.6Y66 P67 V68 I109 Q270Y66-V88 PolarHBondContact O-N 3.25Å; P67-V88 WeakPolarHBondContact CA-O 3.35Å; V68-V88 PolarHBondContact N-O 2.89Å; V88-I109 CarbonylContact C-O 3.53Å; V88-I109 WeakPolarHBondContact CA-O 3.43Å; V88-I109 HydrophobicContact CG2-CB 4.41Å; V88-Q270 HydrophobicContact CG2-CG 3.85Å
89C96.1Very high94.5Very high1 Ų121.8 Ų21.81%0.00714%0.142CC..EExtended strand (participates in β ladder)trans-109.5143.5-180-59.80000110.6E94 V95 I108 I109 L110 S111C89-E94 WeakPolarHBondContact CA-OE2 3.43Å; C89-E94 HydrophobicContact CB-CB 3.83Å; C89-V95 HydrophobicContact CB-CG2 3.5Å; C89-V95 VanDerWaalsContact CB-CG2 3.5Å; C89-I108 HydrophobicContact CB-CG2 4.49Å; C89-I109 PolarHBondContact N-O 2.94Å; C89-L110 CarbonylContact O-C 3.59Å; C89-L110 WeakPolarHBondContact O-CA 3.32Å; C89-S111 PolarHBondContact O-N 3.11Å
90A91.4Very high94.6Very high26 Ų2628.3 Ų28.322%0.21517%0.173CC..SBendtrans-99-25.1177.500000113.5E94 S111A90-E94 PolarHBondContact N-OE2 3.22Å; A90-S111 WeakPolarHBondContact CA-O 3.41Å
91N92Very high94.4Very high40 Ų4030 Ų3021%0.21418%0.18CC..SBendtrans-145.2176.5-171.266.658.5000112.8A93 E94 V95N91-A93 PolarHBondContact O-N 3.16Å; N91-A93 WeakPolarHBondContact OD1-CA 3.4Å; N91-A93 WeakPolarHBondContact OD1-CB 3.38Å; N91-A93 PolarHBondContact OD1-N 3.39Å; N91-E94 PolarHBondContact ND2-OE1 2.88Å; N91-E94 PolarHBondContact OD1-N 2.92Å; N91-V95 WeakPolarHBondContact O-CG2 3.47Å; N91-V95 PolarHBondContact O-N 2.98Å
92K93.8Very high94.3Very high101 Ų10132 Ų3244%0.43920%0.203SC..Hα-helixtrans-61.6-38.6179.9172.2-177.2172.2-157.50113.2S96 Y122K92-S96 WeakPolarHBondContact O-CB 3.41Å; K92-S96 PolarHBondContact O-N 3.34Å; K92-S96 PolarHBondContact O-OG 3.41Å; K92-Y122 HydrophobicContact CB-CD1 4.38Å; K92-Y122 HydrophobicContact CB-CG 4.43Å; K92-Y122 HydrophobicContact CD-CD2 3.87Å; K92-Y122 HydrophobicContact CD-CE2 4.3Å; K92-Y122 HydrophobicContact CD-CG 4.06Å; K92-Y122 HydrophobicContact CG-CD1 3.8Å; K92-Y122 HydrophobicContact CG-CD2 3.87Å; K92-Y122 HydrophobicContact CG-CE1 4.08Å; K92-Y122 HydrophobicContact CG-CE2 4.13Å; K92-Y122 HydrophobicContact CG-CG 3.7Å
93A92.8Very high94.6Very high66 Ų6631.2 Ų31.255%0.54520%0.198SC..Hα-helixtrans-65.3-47-176.900000110.3N91 V95 S96 L97N91-A93 PolarHBondContact O-N 3.16Å; N91-A93 WeakPolarHBondContact OD1-CA 3.4Å; N91-A93 WeakPolarHBondContact OD1-CB 3.38Å; N91-A93 PolarHBondContact OD1-N 3.39Å; A93-V95 PolarHBondContact O-N 2.97Å; A93-S96 WeakPolarHBondContact O-CB 3.31Å; A93-S96 PolarHBondContact O-N 3.47Å; A93-S96 VanDerWaalsContact O-N 3.11Å; A93-L97 WeakPolarHBondContact O-CB 3.09Å; A93-L97 PolarHBondContact O-N 2.9Å
94E94.8Very high94.8Very high8 Ų832.6 Ų32.64%0.03721%0.208CC..Hα-helixtrans-61.4-43.1177.2-66.3176-149.900112.4V68 C89 A90 N91 S96 L97 V98V68-E94 HydrophobicContact CB-CB 4.12Å; V68-E94 HydrophobicContact CB-CG 4.03Å; V68-E94 HydrophobicContact CG1-CB 3.91Å; V68-E94 HydrophobicContact CG1-CG 3.66Å; C89-E94 WeakPolarHBondContact CA-OE2 3.43Å; C89-E94 HydrophobicContact CB-CB 3.83Å; A90-E94 PolarHBondContact N-OE2 3.22Å; N91-E94 PolarHBondContact ND2-OE1 2.88Å; N91-E94 PolarHBondContact OD1-N 2.92Å; E94-S96 VanDerWaalsContact C-N 3.3Å; E94-S96 PolarHBondContact O-N 2.94Å; E94-L97 PolarHBondContact O-N 3.48Å; E94-V98 WeakPolarHBondContact O-CG2 3.26Å; E94-V98 PolarHBondContact O-N 2.91Å
95V96.7Very high95Very high2 Ų232 Ų321%0.01220%0.195CC..Hα-helixtrans-61.9-40.4175176.60000111C89 N91 A93 L99 L110 Y122 V128C89-V95 HydrophobicContact CB-CG2 3.5Å; C89-V95 VanDerWaalsContact CB-CG2 3.5Å; N91-V95 WeakPolarHBondContact O-CG2 3.47Å; N91-V95 PolarHBondContact O-N 2.98Å; A93-V95 PolarHBondContact O-N 2.97Å; V95-L99 HydrophobicContact CG1-CD1 3.77Å; V95-L99 HydrophobicContact CG1-CG 4.33Å; V95-L99 WeakPolarHBondContact O-CB 3.35Å; V95-L99 WeakPolarHBondContact O-CD1 3.45Å; V95-L99 WeakPolarHBondContact O-CG 3.47Å; V95-L99 PolarHBondContact O-N 3.37Å; V95-L99 VanDerWaalsContact O-N 3.09Å; V95-L110 HydrophobicContact CG2-CD1 4.04Å; V95-Y122 HydrophobicContact CB-CD1 4.36Å; V95-Y122 HydrophobicContact CB-CE1 4.09Å; V95-Y122 HydrophobicContact CG1-CD1 4.13Å; V95-Y122 HydrophobicContact CG1-CE1 3.77Å; V95-V128 HydrophobicContact CG1-CG2 3.93Å
96S96.5Very high95.1Very high19 Ų1937.2 Ų37.213%0.13322%0.219CC..Hα-helixtrans-64-48.4178.7-51.80000110.4K92 A93 E94 V98 L99 E100 Y122K92-S96 WeakPolarHBondContact O-CB 3.41Å; K92-S96 PolarHBondContact O-N 3.34Å; K92-S96 PolarHBondContact O-OG 3.41Å; A93-S96 WeakPolarHBondContact O-CB 3.31Å; A93-S96 PolarHBondContact O-N 3.47Å; A93-S96 VanDerWaalsContact O-N 3.11Å; E94-S96 VanDerWaalsContact C-N 3.3Å; E94-S96 PolarHBondContact O-N 2.94Å; S96-V98 PolarHBondContact O-N 2.98Å; S96-L99 PolarHBondContact O-N 3.03Å; S96-E100 WeakPolarHBondContact O-CB 3.42Å; S96-E100 VanDerWaalsContact O-CG 3.26Å; S96-E100 WeakPolarHBondContact O-CG 3.31Å; S96-E100 PolarHBondContact O-N 3.28Å; S96-Y122 VanDerWaalsContact OG-CZ 3.24Å; S96-Y122 PolarHBondContact OG-OH 3.04Å
97L92.6Very high95.1Very high29 Ų2939.3 Ų39.315%0.15223%0.23CC..Hα-helixtrans-54.7-49.8178.2175.365.1000111.6V68 S72 P74 I77 A93 E94 E100 H101V68-L97 HydrophobicContact CG1-CD2 4.21Å; S72-L97 WeakPolarHBondContact O-CD2 3.28Å; P74-L97 HydrophobicContact CB-CD1 4.33Å; P74-L97 HydrophobicContact CG-CD1 4.02Å; I77-L97 HydrophobicContact CG1-CD2 3.97Å; I77-L97 HydrophobicContact CG1-CG 4.36Å; A93-L97 WeakPolarHBondContact O-CB 3.09Å; A93-L97 PolarHBondContact O-N 2.9Å; E94-L97 PolarHBondContact O-N 3.48Å; L97-E100 PolarHBondContact O-N 3Å; L97-H101 PolarHBondContact O-N 3.27Å; L97-H101 PolarHBondContact O-ND1 2.53Å
98V96.1Very high95.1Very high0 Ų039.3 Ų39.30%023%0.23CC..Hα-helixtrans-65.7-42.3-178.2169.60000111.7V68 I77 F87 E94 S96 E100 H101 V103 I108V68-V98 HydrophobicContact CG2-CG2 3.56Å; I77-V98 HydrophobicContact CG2-CG2 4.28Å; F87-V98 HydrophobicContact CB-CG1 3.81Å; F87-V98 HydrophobicContact CB-CG2 4Å; F87-V98 HydrophobicContact CD1-CG1 4.46Å; F87-V98 HydrophobicContact CD1-CG2 3.86Å; F87-V98 HydrophobicContact CD2-CG1 3.86Å; F87-V98 HydrophobicContact CG-CG1 3.78Å; F87-V98 HydrophobicContact CG-CG2 3.92Å; E94-V98 WeakPolarHBondContact O-CG2 3.26Å; E94-V98 PolarHBondContact O-N 2.91Å; S96-V98 PolarHBondContact O-N 2.98Å; V98-E100 PolarHBondContact O-N 2.86Å; V98-H101 PolarHBondContact O-N 3.24Å; V98-V103 HydrophobicContact CG1-CB 3.52Å; V98-V103 HydrophobicContact CG1-CG1 3.68Å; V98-V103 HydrophobicContact CG1-CG2 3.77Å; V98-V103 WeakPolarHBondContact O-CB 3.45Å; V98-V103 PolarHBondContact O-N 3Å; V98-I108 HydrophobicContact CB-CD1 4.33Å; V98-I108 HydrophobicContact CG1-CD1 3.59Å; V98-I108 HydrophobicContact CG1-CG1 3.83Å
99L96.2Very high95.1Very high40 Ų4039 Ų3921%0.20923%0.228CC..Hα-helixtrans-64.9-37.6176.5-71.5171000112.6V95 S96 H101 G102 P105 I108 N126V95-L99 HydrophobicContact CG1-CD1 3.77Å; V95-L99 HydrophobicContact CG1-CG 4.33Å; V95-L99 WeakPolarHBondContact O-CB 3.35Å; V95-L99 WeakPolarHBondContact O-CD1 3.45Å; V95-L99 WeakPolarHBondContact O-CG 3.47Å; V95-L99 PolarHBondContact O-N 3.37Å; V95-L99 VanDerWaalsContact O-N 3.09Å; S96-L99 PolarHBondContact O-N 3.03Å; L99-H101 PolarHBondContact O-N 3.31Å; L99-G102 PolarHBondContact O-N 2.69Å; L99-P105 HydrophobicContact CD2-CB 4.48Å; L99-P105 HydrophobicContact CD2-CG 3.89Å; L99-I108 HydrophobicContact CD2-CD1 3.56Å; L99-I108 HydrophobicContact CG-CD1 3.82Å; L99-N126 HydrophobicContact CD1-CB 3.67Å
100E94Very high95.2Very high137 Ų13739 Ų3964%0.6423%0.228SC*.Hα-helixtrans-63.7-27.7177.4-75.7168.1-16800112.5S96 L97 V98 G102S96-E100 WeakPolarHBondContact O-CB 3.42Å; S96-E100 VanDerWaalsContact O-CG 3.26Å; S96-E100 WeakPolarHBondContact O-CG 3.31Å; S96-E100 PolarHBondContact O-N 3.28Å; L97-E100 PolarHBondContact O-N 3Å; V98-E100 PolarHBondContact O-N 2.86Å; E100-G102 PolarHBondContact O-N 2.92Å
101H92Very high95.2Very high35 Ų3538.9 Ų38.916%0.16223%0.226CC..THydrogen-bonded Turntrans-85.513173.1-67.881.3000113.4I77 E78 L97 V98 L99 V103I77-H101 HydrophobicContact CG2-CB 4.07Å; E78-H101 IonicContact OE2-CD2 3.97Å; E78-H101 IonicContact OE2-NE2 3.27Å; L97-H101 PolarHBondContact O-N 3.27Å; L97-H101 PolarHBondContact O-ND1 2.53Å; V98-H101 PolarHBondContact O-N 3.24Å; L99-H101 PolarHBondContact O-N 3.31Å; H101-V103 VanDerWaalsContact C-N 3.31Å; H101-V103 PolarHBondContact O-N 3.42Å
102G91.4Very high94.8Very high64 Ų6438.6 Ų38.666%0.6623%0.227SC*.THydrogen-bonded Turntrans7910.6170.500000114.8L99 E100L99-G102 PolarHBondContact O-N 2.69Å; E100-G102 PolarHBondContact O-N 2.92Å
103V95.4Very high94Very high8 Ų834.6 Ų34.65%0.04821%0.213CC..  trans-68.2128.9175.1177.10000109.2A81 F87 V98 H101 N107 I108A81-V103 HydrophobicContact CB-CG2 3.52Å; F87-V103 HydrophobicContact CD2-CB 4.39Å; F87-V103 HydrophobicContact CD2-CG1 3.79Å; F87-V103 HydrophobicContact CD2-CG2 3.82Å; F87-V103 HydrophobicContact CE2-CG1 4.26Å; F87-V103 HydrophobicContact CE2-CG2 3.53Å; F87-V103 HydrophobicContact CZ-CG2 4.37Å; V98-V103 HydrophobicContact CG1-CB 3.52Å; V98-V103 HydrophobicContact CG1-CG1 3.68Å; V98-V103 HydrophobicContact CG1-CG2 3.77Å; V98-V103 WeakPolarHBondContact O-CB 3.45Å; V98-V103 PolarHBondContact O-N 3Å; H101-V103 VanDerWaalsContact C-N 3.31Å; H101-V103 PolarHBondContact O-N 3.42Å; V103-N107 HydrophobicContact CG1-CB 4.15Å; V103-I108 HydrophobicContact CG1-CD1 4.33Å; V103-I108 HydrophobicContact CG1-CG1 3.93Å
104P96.4Very high93.7Very high48 Ų4838 Ų3831%0.31222%0.215SC..  trans-72.2141.5-177.432-37000110.7E106 N107P104-E106 HydrophobicContact CB-CG 4.26Å; P104-E106 HydrophobicContact CG-CG 4.41Å; P104-E106 PolarHBondContact O-N 3Å; P104-N107 HydrophobicContact CG-CB 4.12Å; P104-N107 WeakPolarHBondContact CG-ND2 3.35Å; P104-N107 PolarHBondContact O-N 3.11Å
105P97.7Very high93.5Very high36 Ų3637.8 Ų37.823%0.23421%0.214CC..G310 helixtrans-56.9-26.2-174.3-2633.2000115.5L99 N107 I108 N126 S127 V128L99-P105 HydrophobicContact CD2-CB 4.48Å; L99-P105 HydrophobicContact CD2-CG 3.89Å; P105-N107 PolarHBondContact O-N 3.49Å; P105-I108 PolarHBondContact O-N 2.97Å; P105-N126 WeakPolarHBondContact CG-O 3.39Å; P105-S127 WeakPolarHBondContact CB-O 3.25Å; P105-V128 HydrophobicContact CB-CG2 4.15Å
106E96.9Very high93.3Very high113 Ų11343.5 Ų43.553%0.52824%0.241SC..G310 helixtrans-65-25.7174.857.4-93.2-145.600113.6P104 I108 H130P104-E106 HydrophobicContact CB-CG 4.26Å; P104-E106 HydrophobicContact CG-CG 4.41Å; P104-E106 PolarHBondContact O-N 3Å; E106-I108 VanDerWaalsContact C-N 3.3Å; E106-H130 PolarHBondContact O-CE1 3.23Å; E106-H130 PolarHBondContact O-ND1 3.29Å; E106-H130 VanDerWaalsContact O-ND1 3.16Å
107N97.6Very high93.3Very high44 Ų4446.2 Ų46.224%0.23525%0.254CS..G310 helixtrans-92.412.6178-69.6-10000112.6Y65 G86 F87 V103 P104 P105Y65-N107 VanDerWaalsContact CE1-O 3.23Å; Y65-N107 WeakPolarHBondContact CE1-O 3.38Å; G86-N107 CarbonylContact C-O 3.59Å; G86-N107 VanDerWaalsContact CA-O 3.3Å; G86-N107 WeakPolarHBondContact CA-O 3.3Å; F87-N107 PolarHBondContact N-O 3.03Å; V103-N107 HydrophobicContact CG1-CB 4.15Å; P104-N107 HydrophobicContact CG-CB 4.12Å; P104-N107 WeakPolarHBondContact CG-ND2 3.35Å; P104-N107 PolarHBondContact O-N 3.11Å; P105-N107 PolarHBondContact O-N 3.49Å
108I98.6Very high93.4Very high0 Ų047.6 Ų47.60%027%0.269CS..EExtended strand (participates in β ladder)trans-114129.8178.3-54.2178000109.7F87 C89 V98 L99 V103 P105 E106 V128F87-I108 WeakPolarHBondContact O-CA 3.46Å; C89-I108 HydrophobicContact CB-CG2 4.49Å; V98-I108 HydrophobicContact CB-CD1 4.33Å; V98-I108 HydrophobicContact CG1-CD1 3.59Å; V98-I108 HydrophobicContact CG1-CG1 3.83Å; L99-I108 HydrophobicContact CD2-CD1 3.56Å; L99-I108 HydrophobicContact CG-CD1 3.82Å; V103-I108 HydrophobicContact CG1-CD1 4.33Å; V103-I108 HydrophobicContact CG1-CG1 3.93Å; P105-I108 PolarHBondContact O-N 2.97Å; E106-I108 VanDerWaalsContact C-N 3.3Å; I108-V128 HydrophobicContact CB-CG1 4.09Å; I108-V128 HydrophobicContact CB-CG2 4.28Å; I108-V128 HydrophobicContact CD1-CG2 4.29Å; I108-V128 HydrophobicContact CG2-CG1 3.91Å; I108-V128 HydrophobicContact CG2-CG2 4.3Å
109I98.4Very high93.4Very high1 Ų149.2 Ų49.21%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-112.6124171.8-60173.5000108.6Y65 F87 V88 C89 S111 H130 V132 L152 L268Y65-I109 HydrophobicContact CD1-CD1 3.66Å; Y65-I109 HydrophobicContact CD1-CG1 3.92Å; Y65-I109 HydrophobicContact CE1-CD1 3.8Å; Y65-I109 HydrophobicContact CE1-CG1 3.87Å; Y65-I109 HydrophobicContact CG-CD1 4.32Å; F87-I109 PolarHBondContact O-N 3.3Å; V88-I109 CarbonylContact C-O 3.53Å; V88-I109 WeakPolarHBondContact CA-O 3.43Å; V88-I109 HydrophobicContact CG2-CB 4.41Å; C89-I109 PolarHBondContact N-O 2.94Å; I109-S111 PolarHBondContact O-N 2.79Å; I109-H130 WeakPolarHBondContact CA-O 3.38Å; I109-H130 HydrophobicContact CB-CB 4.49Å; I109-H130 HydrophobicContact CG1-CB 3.91Å; I109-V132 HydrophobicContact CG2-CG2 3.83Å; I109-L152 HydrophobicContact CD1-CD1 4.04Å; I109-L152 HydrophobicContact CG2-CD1 4.16Å; I109-L268 HydrophobicContact CD1-CD1 3.71Å
110L97.4Very high93.4Very high1 Ų147.3 Ų47.31%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-87.8107.9171-179.174.1000109.5C89 V95 K115 A123 H130 L131 V132C89-L110 CarbonylContact O-C 3.59Å; C89-L110 WeakPolarHBondContact O-CA 3.32Å; V95-L110 HydrophobicContact CG2-CD1 4.04Å; L110-K115 HydrophobicContact CD2-CD 3.72Å; L110-K115 HydrophobicContact CD2-CG 4.39Å; L110-K115 HydrophobicContact CG-CD 3.92Å; L110-A123 HydrophobicContact CD2-CB 4Å; L110-H130 PolarHBondContact N-O 3.12Å; L110-L131 HydrophobicContact CB-CG 4.18Å; L110-L131 HydrophobicContact CD2-CD2 4.33Å; L110-L131 HydrophobicContact CD2-CG 4.28Å; L110-L131 WeakPolarHBondContact O-CA 3.49Å; L110-V132 PolarHBondContact O-N 3.1Å
111S91.3Very high93.6Very high24 Ų2446.6 Ų46.617%0.16826%0.262CS..  trans-122.1113.4-177.1-1700000112C89 A90 I109 V132C89-S111 PolarHBondContact O-N 3.11Å; A90-S111 WeakPolarHBondContact CA-O 3.41Å; I109-S111 PolarHBondContact O-N 2.79Å; S111-V132 WeakPolarHBondContact OG-CG2 3.11Å
112S84.6Confident93.9Very high35 Ų3547.2 Ų47.225%0.24526%0.263CS..  trans-162.3139.3173.3171.70000108.6F114 K115S112-F114 PolarHBondContact O-N 2.99Å; S112-K115 PolarHBondContact O-NZ 3.23Å
113A77.6Confident94.2Very high17 Ų1744.2 Ų44.214%0.1423%0.232CC..THydrogen-bonded Turntrans-58.2-35.4-179.500000113.3E134 F168A113-E134 VanDerWaalsContact CA-CD 3.41Å; A113-E134 WeakPolarHBondContact CA-OE1 3.17Å; A113-E134 VanDerWaalsContact CA-OE2 3.3Å; A113-E134 WeakPolarHBondContact CA-OE2 3.45Å; A113-E134 WeakPolarHBondContact CB-OE2 3.41Å; A113-E134 PolarHBondContact N-OE1 3.43Å; A113-F168 HydrophobicContact CB-CD1 3.92Å; A113-F168 HydrophobicContact CB-CE1 4.05Å
114F84.8Confident94.3Very high136 Ų13645.2 Ų45.260%0.59624%0.241SC*.THydrogen-bonded Turntrans-134.681.1-175.1-55.5-67.2000110.8S112 Q116 F168S112-F114 PolarHBondContact O-N 2.99Å; F114-Q116 PolarHBondContact O-N 2.98Å; F114-F168 HydrophobicContact CE2-CE1 4.03Å; F114-F168 HydrophobicContact CZ-CE1 4.37Å
115K90.7Very high94.3Very high4 Ų451.2 Ų51.22%0.01726%0.262CS..  trans-71.2123.6-177.7-72.5170-70.1-52.60110.1L110 S112 I120 V132 E138L110-K115 HydrophobicContact CD2-CD 3.72Å; L110-K115 HydrophobicContact CD2-CG 4.39Å; L110-K115 HydrophobicContact CG-CD 3.92Å; S112-K115 PolarHBondContact O-NZ 3.23Å; K115-I120 HydrophobicContact CB-CD1 4.01Å; K115-I120 HydrophobicContact CB-CG1 3.83Å; K115-V132 VanDerWaalsContact CE-O 3.27Å; K115-V132 WeakPolarHBondContact CE-O 3.35Å; K115-V132 PolarHBondContact NZ-O 3.16Å; K115-E138 WeakPolarHBondContact CB-OE2 3.48Å; K115-E138 WeakPolarHBondContact CE-OE2 3.36Å; K115-E138 PolarHBondContact N-OE1 3.41Å; K115-E138 PolarHBondContact N-OE2 3.01Å; K115-E138 IonicContact NZ-OE2 2.93Å; K115-E138 PolarHBondContact NZ-OE2 3.25Å
116Q93.4Very high94.3Very high122 Ų12251.8 Ų51.857%0.5726%0.263SS*.  trans-61.8145.6169.6-67.3-169.6-15.800110.2F114 A118 H119 I120F114-Q116 PolarHBondContact O-N 2.98Å; Q116-A118 PolarHBondContact O-N 3.35Å; Q116-A118 VanDerWaalsContact O-N 3.12Å; Q116-H119 WeakPolarHBondContact O-CB 3.3Å; Q116-H119 PolarHBondContact O-N 3.47Å; Q116-I120 PolarHBondContact O-N 2.96Å
117L95.7Very high94.4Very high77 Ų7749.6 Ų49.640%0.40326%0.261SS..Hα-helixtrans-57.1-33.1-180-53-177.8000112K121 K141 L145L117-K121 WeakPolarHBondContact O-CG 3.46Å; L117-K121 PolarHBondContact O-N 3.42Å; L117-K121 VanDerWaalsContact O-N 3.11Å; L117-K141 HydrophobicContact CD2-CB 4.49Å; L117-K141 HydrophobicContact CD2-CD 3.87Å; L117-K141 HydrophobicContact CD2-CG 4.09Å; L117-L145 HydrophobicContact CB-CD1 3.83Å; L117-L145 HydrophobicContact CD2-CD1 3.67Å; L117-L145 HydrophobicContact CG-CD1 4.26Å
118A95.3Very high94.4Very high58 Ų5847.5 Ų47.548%0.47925%0.249SC..Hα-helixtrans-65.6-37.2176.300000112.6Q116 Y122Q116-A118 PolarHBondContact O-N 3.35Å; Q116-A118 VanDerWaalsContact O-N 3.12Å; A118-Y122 VanDerWaalsContact O-CB 3.3Å; A118-Y122 WeakPolarHBondContact O-CB 3.23Å; A118-Y122 PolarHBondContact O-N 2.72Å
119H95.9Very high94.4Very high34 Ų3452.5 Ų52.516%0.15727%0.268CS..Hα-helixtrans-68.2-43.9178.5-60.3173.9000110.9Q116 K121 Y122 A123Q116-H119 WeakPolarHBondContact O-CB 3.3Å; Q116-H119 PolarHBondContact O-N 3.47Å; H119-K121 PolarHBondContact O-N 3.46Å; H119-Y122 PolarHBondContact O-N 2.87Å; H119-A123 PolarHBondContact O-N 2.94Å
120I96.8Very high94.4Very high0 Ų053.6 Ų53.60%027%0.273CS..Hα-helixtrans-62-46.3177.4-57.9171.4000110.7K115 Q116 Y122 A123 A124 L131 K141 I142 L145 H146K115-I120 HydrophobicContact CB-CD1 4.01Å; K115-I120 HydrophobicContact CB-CG1 3.83Å; Q116-I120 PolarHBondContact O-N 2.96Å; I120-Y122 VanDerWaalsContact C-N 3.31Å; I120-Y122 PolarHBondContact O-N 3.13Å; I120-A123 PolarHBondContact O-N 2.94Å; I120-A124 PolarHBondContact O-N 3.48Å; I120-L131 HydrophobicContact CG2-CD2 4.45Å; I120-K141 HydrophobicContact CD1-CB 4.21Å; I120-I142 HydrophobicContact CD1-CG1 4.02Å; I120-L145 HydrophobicContact CB-CB 4.41Å; I120-L145 HydrophobicContact CB-CD1 4.4Å; I120-L145 HydrophobicContact CG2-CB 3.7Å; I120-H146 HydrophobicContact CG2-CB 3.8Å
121K97.5Very high94.4Very high122 Ų12253.6 Ų53.653%0.5327%0.273SS..Hα-helixtrans-62.4-37.8176.7-73.3176.5179.3-1770112.5L117 H119 K125 L145L117-K121 WeakPolarHBondContact O-CG 3.46Å; L117-K121 PolarHBondContact O-N 3.42Å; L117-K121 VanDerWaalsContact O-N 3.11Å; H119-K121 PolarHBondContact O-N 3.46Å; K121-K125 WeakPolarHBondContact O-CB 3.34Å; K121-K125 PolarHBondContact O-N 3.05Å; K121-L145 HydrophobicContact CG-CD1 4.44Å; K121-L145 HydrophobicContact CG-CD2 4.28Å
122Y97.8Very high94.6Very high47 Ų4752.4 Ų52.418%0.18427%0.265CS..Hα-helixtrans-68.3-42.3177.6-174.7-92.8000111.6K92 V95 S96 A118 H119 I120 K125 N126K92-Y122 HydrophobicContact CB-CD1 4.38Å; K92-Y122 HydrophobicContact CB-CG 4.43Å; K92-Y122 HydrophobicContact CD-CD2 3.87Å; K92-Y122 HydrophobicContact CD-CE2 4.3Å; K92-Y122 HydrophobicContact CD-CG 4.06Å; K92-Y122 HydrophobicContact CG-CD1 3.8Å; K92-Y122 HydrophobicContact CG-CD2 3.87Å; K92-Y122 HydrophobicContact CG-CE1 4.08Å; K92-Y122 HydrophobicContact CG-CE2 4.13Å; K92-Y122 HydrophobicContact CG-CG 3.7Å; V95-Y122 HydrophobicContact CB-CD1 4.36Å; V95-Y122 HydrophobicContact CB-CE1 4.09Å; V95-Y122 HydrophobicContact CG1-CD1 4.13Å; V95-Y122 HydrophobicContact CG1-CE1 3.77Å; S96-Y122 VanDerWaalsContact OG-CZ 3.24Å; S96-Y122 PolarHBondContact OG-OH 3.04Å; A118-Y122 VanDerWaalsContact O-CB 3.3Å; A118-Y122 WeakPolarHBondContact O-CB 3.23Å; A118-Y122 PolarHBondContact O-N 2.72Å; H119-Y122 PolarHBondContact O-N 2.87Å; I120-Y122 VanDerWaalsContact C-N 3.31Å; I120-Y122 PolarHBondContact O-N 3.13Å; Y122-K125 PolarHBondContact O-N 2.94Å; Y122-N126 WeakPolarHBondContact CE1-ND2 3.41Å; Y122-N126 VanDerWaalsContact CE2-ND2 3.32Å; Y122-N126 WeakPolarHBondContact CE2-ND2 3.3Å; Y122-N126 PolarHBondContact O-N 2.81Å; Y122-N126 VanDerWaalsContact O-N 3.08Å; Y122-N126 PolarHBondContact O-ND2 3.07Å
123A97.7Very high95.1Very high1 Ų150.8 Ų50.81%0.00825%0.254CS..Hα-helixtrans-59.3-46.4173.100000111.6L110 H119 I120 K125 N126 S127 V128L110-A123 HydrophobicContact CD2-CB 4Å; H119-A123 PolarHBondContact O-N 2.94Å; I120-A123 PolarHBondContact O-N 2.94Å; A123-K125 PolarHBondContact O-N 3.47Å; A123-N126 CarbonylContact O-C 3.54Å; A123-N126 PolarHBondContact O-N 2.87Å; A123-S127 PolarHBondContact O-N 2.78Å; A123-S127 VanDerWaalsContact O-N 3.1Å; A123-V128 HydrophobicContact CB-CB 4.02Å; A123-V128 HydrophobicContact CB-CG1 4.39Å; A123-V128 PolarHBondContact O-N 2.93Å
124A97.6Very high95.7Very high30 Ų3051.1 Ų51.125%0.24825%0.252CS..Hα-helixtrans-58.3-46.7175.300000112.3I120 N126 S127 H146I120-A124 PolarHBondContact O-N 3.48Å; A124-N126 VanDerWaalsContact C-N 3.27Å; A124-N126 PolarHBondContact O-N 3.39Å; A124-S127 PolarHBondContact O-N 3.41Å; A124-H146 HydrophobicContact CB-CB 3.93Å
125K97.9Very high95.8Very high173 Ų17346.6 Ų46.675%0.75223%0.234SC*.Hα-helixtrans-60.3-35.6179.2-174.8-176.5176.2-171.90112.6K121 Y122 A123K121-K125 WeakPolarHBondContact O-CB 3.34Å; K121-K125 PolarHBondContact O-N 3.05Å; Y122-K125 PolarHBondContact O-N 2.94Å; A123-K125 PolarHBondContact O-N 3.47Å
126N97.8Very high95.8Very high48 Ų4850.7 Ų50.726%0.25725%0.254SS..THydrogen-bonded Turntrans-98.815.8-178.3-64.3-73.6000113.3L99 P105 Y122 A123 A124 V128L99-N126 HydrophobicContact CD1-CB 3.67Å; P105-N126 WeakPolarHBondContact CG-O 3.39Å; Y122-N126 WeakPolarHBondContact CE1-ND2 3.41Å; Y122-N126 VanDerWaalsContact CE2-ND2 3.32Å; Y122-N126 WeakPolarHBondContact CE2-ND2 3.3Å; Y122-N126 PolarHBondContact O-N 2.81Å; Y122-N126 VanDerWaalsContact O-N 3.08Å; Y122-N126 PolarHBondContact O-ND2 3.07Å; A123-N126 CarbonylContact O-C 3.54Å; A123-N126 PolarHBondContact O-N 2.87Å; A124-N126 VanDerWaalsContact C-N 3.27Å; A124-N126 PolarHBondContact O-N 3.39Å; N126-V128 PolarHBondContact O-N 2.96Å; N126-V128 VanDerWaalsContact O-N 3.15Å
127S97.5Very high95.8Very high67 Ų6747.7 Ų47.747%0.46925%0.25SC..THydrogen-bonded Turntrans58.922.3178.7-53.10000115.3P105 A123 A124 R129P105-S127 WeakPolarHBondContact CB-O 3.25Å; A123-S127 PolarHBondContact O-N 2.78Å; A123-S127 VanDerWaalsContact O-N 3.1Å; A124-S127 PolarHBondContact O-N 3.41Å; S127-R129 PolarHBondContact O-N 3.43Å; S127-R129 VanDerWaalsContact O-N 3.17Å
128V98.1Very high95.6Very high0 Ų044 Ų440%023%0.231CC..  trans-75.6105.2169.8176.70000107.4V95 P105 I108 A123 N126 H146V95-V128 HydrophobicContact CG1-CG2 3.93Å; P105-V128 HydrophobicContact CB-CG2 4.15Å; I108-V128 HydrophobicContact CB-CG1 4.09Å; I108-V128 HydrophobicContact CB-CG2 4.28Å; I108-V128 HydrophobicContact CD1-CG2 4.29Å; I108-V128 HydrophobicContact CG2-CG1 3.91Å; I108-V128 HydrophobicContact CG2-CG2 4.3Å; A123-V128 HydrophobicContact CB-CB 4.02Å; A123-V128 HydrophobicContact CB-CG1 4.39Å; A123-V128 PolarHBondContact O-N 2.93Å; N126-V128 PolarHBondContact O-N 2.96Å; N126-V128 VanDerWaalsContact O-N 3.15Å; V128-H146 PolarHBondContact O-NE2 3.29Å
129R97.8Very high95.6Very high106 Ų10641.5 Ų41.540%0.421%0.209SC..  trans-97.6-26.3-170.5-72177.6174.9159.8-4.9113.8S127 L131 E148 A149 K150S127-R129 PolarHBondContact O-N 3.43Å; S127-R129 VanDerWaalsContact O-N 3.17Å; R129-L131 WeakPolarHBondContact O-CD1 3.43Å; R129-L131 PolarHBondContact O-N 2.92Å; R129-E148 IonicContact CZ-OE2 2.97Å; R129-E148 IonicContact NE-OE2 2.69Å; R129-E148 PolarHBondContact NE-OE2 3.1Å; R129-E148 IonicContact NH2-OE2 3.76Å; R129-E148 PolarHBondContact NH2-OE2 3.23Å; R129-A149 WeakPolarHBondContact O-CA 3.35Å; R129-K150 PolarHBondContact O-N 3.21Å
130H98.4Very high95.5Very high24 Ų2442.3 Ų42.311%0.11122%0.218CC..EExtended strand (participates in β ladder)trans-83.7116.3-178.5-58.8112.4000111E106 I109 L110 K150E106-H130 PolarHBondContact O-CE1 3.23Å; E106-H130 PolarHBondContact O-ND1 3.29Å; E106-H130 VanDerWaalsContact O-ND1 3.16Å; I109-H130 WeakPolarHBondContact CA-O 3.38Å; I109-H130 HydrophobicContact CB-CB 4.49Å; I109-H130 HydrophobicContact CG1-CB 3.91Å; L110-H130 PolarHBondContact N-O 3.12Å; H130-K150 WeakPolarHBondContact CA-O 3.02Å
131L98.1Very high95.4Very high0 Ų044.9 Ų44.90%023%0.229CC..EExtended strand (participates in β ladder)trans-127.9138.7-179.5-80.972.9000109.8L110 I120 R129 I142 A149 K150 L151 L152L110-L131 HydrophobicContact CB-CG 4.18Å; L110-L131 HydrophobicContact CD2-CD2 4.33Å; L110-L131 HydrophobicContact CD2-CG 4.28Å; L110-L131 WeakPolarHBondContact O-CA 3.49Å; I120-L131 HydrophobicContact CG2-CD2 4.45Å; R129-L131 WeakPolarHBondContact O-CD1 3.43Å; R129-L131 PolarHBondContact O-N 2.92Å; L131-I142 HydrophobicContact CB-CD1 4.46Å; L131-I142 HydrophobicContact CD2-CD1 4.07Å; L131-I142 HydrophobicContact CD2-CG1 4.02Å; L131-I142 HydrophobicContact CD2-CG2 4.03Å; L131-A149 HydrophobicContact CD1-CB 4.24Å; L131-A149 HydrophobicContact CD2-CB 4.5Å; L131-K150 PolarHBondContact N-O 2.71Å; L131-L151 HydrophobicContact CB-CD2 3.92Å; L131-L151 WeakPolarHBondContact O-CA 3.14Å; L131-L152 PolarHBondContact O-N 3.08Å
132V96.6Very high95.4Very high0 Ų039 Ų390%020%0.204CC..EExtended strand (participates in β ladder)trans-84.6134.5170.3-179.20000109.9I109 L110 S111 K115 E134 L152 Q154I109-V132 HydrophobicContact CG2-CG2 3.83Å; L110-V132 PolarHBondContact O-N 3.1Å; S111-V132 WeakPolarHBondContact OG-CG2 3.11Å; K115-V132 VanDerWaalsContact CE-O 3.27Å; K115-V132 WeakPolarHBondContact CE-O 3.35Å; K115-V132 PolarHBondContact NZ-O 3.16Å; V132-E134 HydrophobicContact CG1-CG 4.19Å; V132-L152 WeakPolarHBondContact CA-O 3.32Å; V132-L152 HydrophobicContact CG2-CB 4.3Å; V132-L152 HydrophobicContact CG2-CD1 4.31Å; V132-Q154 HydrophobicContact CG1-CB 3.87Å
133C94.9Very high95.3Very high1 Ų137.6 Ų37.61%0.00720%0.202CC..EExtended strand (participates in β ladder)trans-118.8127.5176.6-174.60000110.2N135 L151 L152 L153 Q154 F170C133-N135 PolarHBondContact SG-O 2.98Å; C133-N135 VanDerWaalsContact SG-O 3.39Å; C133-L151 HydrophobicContact CB-CD1 4.17Å; C133-L151 HydrophobicContact CB-CD2 4.37Å; C133-L152 PolarHBondContact N-O 3.22Å; C133-L153 HydrophobicContact CB-CD2 4.35Å; C133-Q154 PolarHBondContact O-N 3.21Å; C133-F170 VanDerWaalsContact O-CE2 3.26Å; C133-F170 WeakPolarHBondContact O-CE2 3.46Å
134E89.1Confident95.3Very high23 Ų2345.9 Ų45.911%0.10723%0.233CC..  trans-118.8-15.2-174.3-52.7-171.9-167.100113.8A113 V132 Q154 F168 F170A113-E134 VanDerWaalsContact CA-CD 3.41Å; A113-E134 WeakPolarHBondContact CA-OE1 3.17Å; A113-E134 VanDerWaalsContact CA-OE2 3.3Å; A113-E134 WeakPolarHBondContact CA-OE2 3.45Å; A113-E134 WeakPolarHBondContact CB-OE2 3.41Å; A113-E134 PolarHBondContact N-OE1 3.43Å; V132-E134 HydrophobicContact CG1-CG 4.19Å; E134-Q154 HydrophobicContact CB-CB 4.34Å; E134-Q154 HydrophobicContact CG-CB 3.71Å; E134-Q154 HydrophobicContact CG-CG 4.08Å; E134-F168 WeakPolarHBondContact OE2-CB 3.35Å; E134-F170 WeakPolarHBondContact O-CE1 3.27Å; E134-F170 WeakPolarHBondContact O-CZ 3.3Å
135N88.3Confident95.2Very high41 Ų4146 Ų4622%0.21923%0.229CC..SBendtrans-149.5161.4177.762.275.5000112C133 A137 E138 L139 F170C133-N135 PolarHBondContact SG-O 2.98Å; C133-N135 VanDerWaalsContact SG-O 3.39Å; N135-A137 VanDerWaalsContact C-N 3.3Å; N135-A137 PolarHBondContact O-N 3.4Å; N135-A137 WeakPolarHBondContact OD1-CB 3.38Å; N135-A137 PolarHBondContact OD1-N 3.27Å; N135-E138 WeakPolarHBondContact ND2-CG 3.21Å; N135-E138 WeakPolarHBondContact O-CB 3.39Å; N135-E138 PolarHBondContact O-N 2.94Å; N135-E138 WeakPolarHBondContact OD1-CG 3.43Å; N135-E138 PolarHBondContact OD1-N 3.17Å; N135-L139 PolarHBondContact O-N 3.17Å; N135-L139 VanDerWaalsContact O-N 3.15Å; N135-F170 VanDerWaalsContact C-CZ 3.45Å
136E90.4Very high95.2Very high91 Ų9138.1 Ų38.143%0.42520%0.195SC..Hα-helixtrans-65.8-31.1-177.3-167.3-172.9158.100113.2E138 L139 S140 L178E136-E138 VanDerWaalsContact C-N 3.33Å; E136-E138 PolarHBondContact O-N 2.76Å; E136-L139 WeakPolarHBondContact O-CB 3.49Å; E136-L139 PolarHBondContact O-N 3.01Å; E136-S140 PolarHBondContact O-N 3.08Å; E136-S140 PolarHBondContact O-OG 2.84Å; E136-L178 HydrophobicContact CB-CD2 3.91Å; E136-L178 HydrophobicContact CG-CD2 4.19Å
137A91.9Very high95.1Very high59 Ų5940 Ų4049%0.48821%0.21SC..Hα-helixtrans-67-36.2175.300000111.3N135 K141N135-A137 VanDerWaalsContact C-N 3.3Å; N135-A137 PolarHBondContact O-N 3.4Å; N135-A137 WeakPolarHBondContact OD1-CB 3.38Å; N135-A137 PolarHBondContact OD1-N 3.27Å; A137-K141 WeakPolarHBondContact O-CB 3.48Å; A137-K141 WeakPolarHBondContact O-CE 3.14Å; A137-K141 VanDerWaalsContact O-CG 3.29Å; A137-K141 WeakPolarHBondContact O-CG 3.48Å; A137-K141 PolarHBondContact O-N 3.41Å
138E92.7Very high95Very high0 Ų042.5 Ų42.50%021%0.214CC..Hα-helixtrans-63.3-45.7170.5-73.9-74121.900111.4K115 N135 E136 S140 K141 I142K115-E138 WeakPolarHBondContact CB-OE2 3.48Å; K115-E138 WeakPolarHBondContact CE-OE2 3.36Å; K115-E138 PolarHBondContact N-OE1 3.41Å; K115-E138 PolarHBondContact N-OE2 3.01Å; K115-E138 IonicContact NZ-OE2 2.93Å; K115-E138 PolarHBondContact NZ-OE2 3.25Å; N135-E138 WeakPolarHBondContact ND2-CG 3.21Å; N135-E138 WeakPolarHBondContact O-CB 3.39Å; N135-E138 PolarHBondContact O-N 2.94Å; N135-E138 WeakPolarHBondContact OD1-CG 3.43Å; N135-E138 PolarHBondContact OD1-N 3.17Å; E136-E138 VanDerWaalsContact C-N 3.33Å; E136-E138 PolarHBondContact O-N 2.76Å; E138-S140 VanDerWaalsContact C-N 3.31Å; E138-S140 PolarHBondContact O-N 3.02Å; E138-K141 WeakPolarHBondContact O-CB 3.31Å; E138-K141 PolarHBondContact O-N 3Å; E138-K141 VanDerWaalsContact O-N 3.13Å; E138-K141 WeakPolarHBondContact OE1-CE 3.45Å; E138-K141 IonicContact OE1-NZ 3.08Å; E138-K141 PolarHBondContact OE1-NZ 3.46Å; E138-I142 VanDerWaalsContact O-CG1 3.27Å; E138-I142 WeakPolarHBondContact O-CG1 3.45Å; E138-I142 PolarHBondContact O-N 3.31Å
139L94.4Very high95Very high4 Ų442.5 Ų42.52%0.02121%0.214CC..Hα-helixtrans-53.2-50.9175.7174.462.5000110.9N135 E136 K141 I142 A143 L151 T181 A182 V187N135-L139 PolarHBondContact O-N 3.17Å; N135-L139 VanDerWaalsContact O-N 3.15Å; E136-L139 WeakPolarHBondContact O-CB 3.49Å; E136-L139 PolarHBondContact O-N 3.01Å; L139-K141 VanDerWaalsContact C-N 3.33Å; L139-K141 PolarHBondContact O-N 3.41Å; L139-I142 PolarHBondContact O-N 3.33Å; L139-A143 WeakPolarHBondContact O-CB 3.43Å; L139-A143 PolarHBondContact O-N 3.27Å; L139-L151 HydrophobicContact CD1-CD1 3.42Å; L139-L151 VanDerWaalsContact CD1-CD1 3.42Å; L139-T181 HydrophobicContact CD2-CG2 3.81Å; L139-A182 HydrophobicContact CD1-CB 3.93Å; L139-A182 HydrophobicContact CD2-CB 4.07Å; L139-V187 HydrophobicContact CD1-CB 4.37Å; L139-V187 HydrophobicContact CD1-CG2 4.49Å
140S94.6Very high95Very high51 Ų5140.3 Ų40.336%0.35721%0.208SC..Hα-helixtrans-63.9-36.3179.7-59.30000112.9E136 E138 R144 Q185E136-S140 PolarHBondContact O-N 3.08Å; E136-S140 PolarHBondContact O-OG 2.84Å; E138-S140 VanDerWaalsContact C-N 3.31Å; E138-S140 PolarHBondContact O-N 3.02Å; S140-R144 PolarHBondContact O-N 3.42Å; S140-Q185 PolarHBondContact OG-NE2 3.38Å
141K95Very high95Very high54 Ų5439.2 Ų39.224%0.23520%0.202CC..Hα-helixtrans-66.2-43.7174.8-77.8178.7-66.8-175.80111.5L117 I120 A137 E138 L139 L145L117-K141 HydrophobicContact CD2-CB 4.49Å; L117-K141 HydrophobicContact CD2-CD 3.87Å; L117-K141 HydrophobicContact CD2-CG 4.09Å; I120-K141 HydrophobicContact CD1-CB 4.21Å; A137-K141 WeakPolarHBondContact O-CB 3.48Å; A137-K141 WeakPolarHBondContact O-CE 3.14Å; A137-K141 VanDerWaalsContact O-CG 3.29Å; A137-K141 WeakPolarHBondContact O-CG 3.48Å; A137-K141 PolarHBondContact O-N 3.41Å; E138-K141 WeakPolarHBondContact O-CB 3.31Å; E138-K141 PolarHBondContact O-N 3Å; E138-K141 VanDerWaalsContact O-N 3.13Å; E138-K141 WeakPolarHBondContact OE1-CE 3.45Å; E138-K141 IonicContact OE1-NZ 3.08Å; E138-K141 PolarHBondContact OE1-NZ 3.46Å; L139-K141 VanDerWaalsContact C-N 3.33Å; L139-K141 PolarHBondContact O-N 3.41Å; K141-L145 WeakPolarHBondContact O-CB 3.49Å; K141-L145 WeakPolarHBondContact O-CG 3.38Å; K141-L145 PolarHBondContact O-N 3.15Å
142I96.4Very high95Very high0 Ų039.2 Ų39.20%020%0.202CC..Hα-helixtrans-68.5-47.6-179.6-64163.9000110.2I120 L131 E138 L139 R144 L145 H146 A149 L151I120-I142 HydrophobicContact CD1-CG1 4.02Å; L131-I142 HydrophobicContact CB-CD1 4.46Å; L131-I142 HydrophobicContact CD2-CD1 4.07Å; L131-I142 HydrophobicContact CD2-CG1 4.02Å; L131-I142 HydrophobicContact CD2-CG2 4.03Å; E138-I142 VanDerWaalsContact O-CG1 3.27Å; E138-I142 WeakPolarHBondContact O-CG1 3.45Å; E138-I142 PolarHBondContact O-N 3.31Å; L139-I142 PolarHBondContact O-N 3.33Å; I142-R144 PolarHBondContact O-N 3.49Å; I142-R144 VanDerWaalsContact O-N 3.13Å; I142-L145 PolarHBondContact O-N 2.82Å; I142-H146 HydrophobicContact CG2-CB 4.42Å; I142-H146 CarbonylContact O-C 3.51Å; I142-H146 PolarHBondContact O-N 2.92Å; I142-A149 HydrophobicContact CG2-CB 3.51Å; I142-L151 HydrophobicContact CD1-CD2 3.82Å; I142-L151 HydrophobicContact CG2-CD2 3.97Å
143A96.4Very high95Very high16 Ų1639.4 Ų39.413%0.13220%0.203CC..Hα-helixtrans-50.7-42178.400000112.8L139 Q185 V187L139-A143 WeakPolarHBondContact O-CB 3.43Å; L139-A143 PolarHBondContact O-N 3.27Å; A143-Q185 HydrophobicContact CB-CB 4.05Å; A143-V187 VanDerWaalsContact CA-CG2 3.47Å; A143-V187 HydrophobicContact CB-CG2 3.35Å
144R96.6Very high95.1Very high175 Ų17540.4 Ų40.466%0.6621%0.208SC*.Hα-helixtrans-75.4-36.5179.8-174.9178.564-179-2.6113.7S140 I142S140-R144 PolarHBondContact O-N 3.42Å; I142-R144 PolarHBondContact O-N 3.49Å; I142-R144 VanDerWaalsContact O-N 3.13Å
145L97.5Very high95.3Very high34 Ų3439.6 Ų39.618%0.17821%0.205CC..Hα-helixtrans-102.7-23.2-167.4-66.9-177.3000114.3L117 I120 K121 K141 I142L117-L145 HydrophobicContact CB-CD1 3.83Å; L117-L145 HydrophobicContact CD2-CD1 3.67Å; L117-L145 HydrophobicContact CG-CD1 4.26Å; I120-L145 HydrophobicContact CB-CB 4.41Å; I120-L145 HydrophobicContact CB-CD1 4.4Å; I120-L145 HydrophobicContact CG2-CB 3.7Å; K121-L145 HydrophobicContact CG-CD1 4.44Å; K121-L145 HydrophobicContact CG-CD2 4.28Å; K141-L145 WeakPolarHBondContact O-CB 3.49Å; K141-L145 WeakPolarHBondContact O-CG 3.38Å; K141-L145 PolarHBondContact O-N 3.15Å; I142-L145 PolarHBondContact O-N 2.82Å
146H97.4Very high95.5Very high6 Ų639.9 Ų39.93%0.02821%0.208CC..  trans-144.275179.1-168.71000110.2I120 A124 V128 I142 E148 A149I120-H146 HydrophobicContact CG2-CB 3.8Å; A124-H146 HydrophobicContact CB-CB 3.93Å; V128-H146 PolarHBondContact O-NE2 3.29Å; I142-H146 HydrophobicContact CG2-CB 4.42Å; I142-H146 CarbonylContact O-C 3.51Å; I142-H146 PolarHBondContact O-N 2.92Å; H146-E148 PolarHBondContact O-N 3.44Å; H146-A149 HydrophobicContact CB-CB 4.19Å; H146-A149 WeakPolarHBondContact O-CB 3.37Å; H146-A149 PolarHBondContact O-N 3.17Å
147P94.7Very high95.2Very high88 Ų8837.8 Ų37.857%0.57120%0.201SC*.THydrogen-bonded Turntrans-63.2-20.8-176.4-22.333.9000114.3A149P147-A149 VanDerWaalsContact C-N 3.3Å
148E96.2Very high94.3Very high120 Ų12041.7 Ų41.756%0.56121%0.21SC*.THydrogen-bonded Turntrans-88.35.2176.3-61.6-170.3-179.300113.2R129 H146R129-E148 IonicContact CZ-OE2 2.97Å; R129-E148 IonicContact NE-OE2 2.69Å; R129-E148 PolarHBondContact NE-OE2 3.1Å; R129-E148 IonicContact NH2-OE2 3.76Å; R129-E148 PolarHBondContact NH2-OE2 3.23Å; H146-E148 PolarHBondContact O-N 3.44Å
149A97.6Very high92.8Very high0 Ų042.4 Ų42.40%022%0.215CC..  trans-63.3142.3178.100000111.5R129 L131 I142 H146 P147 L151R129-A149 WeakPolarHBondContact O-CA 3.35Å; L131-A149 HydrophobicContact CD1-CB 4.24Å; L131-A149 HydrophobicContact CD2-CB 4.5Å; I142-A149 HydrophobicContact CG2-CB 3.51Å; H146-A149 HydrophobicContact CB-CB 4.19Å; H146-A149 WeakPolarHBondContact O-CB 3.37Å; H146-A149 PolarHBondContact O-N 3.17Å; P147-A149 VanDerWaalsContact C-N 3.3Å; A149-L151 HydrophobicContact CB-CD2 4.32Å
150K98.2Very high90.8Very high60 Ų6050.3 Ų50.326%0.26125%0.252SS..EExtended strand (participates in β ladder)trans-109.8113.1172.2-69.6-179.6173-171.60107.8R129 H130 L131 V190R129-K150 PolarHBondContact O-N 3.21Å; H130-K150 WeakPolarHBondContact CA-O 3.02Å; L131-K150 PolarHBondContact N-O 2.71Å; K150-V190 HydrophobicContact CB-CB 4.43Å; K150-V190 HydrophobicContact CB-CG1 3.74Å; K150-V190 HydrophobicContact CB-CG2 3.8Å; K150-V190 HydrophobicContact CD-CG1 4.06Å; K150-V190 HydrophobicContact CG-CG1 3.86Å
151L98.1Very high88.7Confident0 Ų049.2 Ų49.20%025%0.246CC..EExtended strand (participates in β ladder)trans-91.9137.1-171.4-60.7-174.3000112.8L131 C133 L139 I142 A149 V187 Q188 V189 V190 G191L131-L151 HydrophobicContact CB-CD2 3.92Å; L131-L151 WeakPolarHBondContact O-CA 3.14Å; C133-L151 HydrophobicContact CB-CD1 4.17Å; C133-L151 HydrophobicContact CB-CD2 4.37Å; L139-L151 HydrophobicContact CD1-CD1 3.42Å; L139-L151 VanDerWaalsContact CD1-CD1 3.42Å; I142-L151 HydrophobicContact CD1-CD2 3.82Å; I142-L151 HydrophobicContact CG2-CD2 3.97Å; A149-L151 HydrophobicContact CB-CD2 4.32Å; L151-V187 HydrophobicContact CD1-CG1 3.56Å; L151-V187 HydrophobicContact CG-CG1 3.72Å; L151-Q188 PolarHBondContact N-O 3.31Å; L151-V189 HydrophobicContact CB-CG2 4.36Å; L151-V190 PolarHBondContact O-N 3.17Å; L151-G191 PolarHBondContact O-N 3.09Å
152L98.2Very high86.4Confident0 Ų050.1 Ų50.10%026%0.263CS..EExtended strand (participates in β ladder)trans-99.5122.5159.7-62.6166.7000107.7I109 L131 V132 C133 V190 G191 A193 I230I109-L152 HydrophobicContact CD1-CD1 4.04Å; I109-L152 HydrophobicContact CG2-CD1 4.16Å; L131-L152 PolarHBondContact O-N 3.08Å; V132-L152 WeakPolarHBondContact CA-O 3.32Å; V132-L152 HydrophobicContact CG2-CB 4.3Å; V132-L152 HydrophobicContact CG2-CD1 4.31Å; C133-L152 PolarHBondContact N-O 3.22Å; L152-V190 HydrophobicContact CD2-CG2 4.39Å; L152-G191 WeakPolarHBondContact CA-O 3.37Å; L152-A193 HydrophobicContact CB-CB 4.42Å; L152-I230 HydrophobicContact CD1-CG2 4.49Å; L152-I230 HydrophobicContact CD2-CB 3.7Å; L152-I230 HydrophobicContact CD2-CG2 3.57Å
153L97Very high83.7Confident4 Ų460 Ų602%0.02131%0.31CS..EExtended strand (participates in β ladder)trans-81.4120.2174.6-60.3-175.7000109.6C133 F170 L179 V189 G191 V192 A193 V217C133-L153 HydrophobicContact CB-CD2 4.35Å; L153-F170 HydrophobicContact CB-CD2 4.41Å; L153-F170 HydrophobicContact CD2-CE2 4.12Å; L153-L179 HydrophobicContact CD1-CD2 3.81Å; L153-L179 HydrophobicContact CD1-CG 4Å; L153-V189 HydrophobicContact CD1-CG1 4.05Å; L153-V189 HydrophobicContact CD2-CG1 4.39Å; L153-V189 HydrophobicContact CG-CG1 3.8Å; L153-G191 PolarHBondContact N-O 2.94Å; L153-V192 CarbonylContact O-C 3.59Å; L153-V192 WeakPolarHBondContact O-CA 3.45Å; L153-V192 WeakPolarHBondContact O-CG1 3.39Å; L153-A193 PolarHBondContact O-N 2.71Å; L153-V217 HydrophobicContact CD1-CG1 4.36Å
154Q95.7Very high80.9Confident22 Ų2265.5 Ų65.510%0.10334%0.342CS..EExtended strand (participates in β ladder)trans-76.7124.3174.7-17767.635.400109.9V132 C133 E134 G169 F170 A193V132-Q154 HydrophobicContact CG1-CB 3.87Å; C133-Q154 PolarHBondContact O-N 3.21Å; E134-Q154 HydrophobicContact CB-CB 4.34Å; E134-Q154 HydrophobicContact CG-CB 3.71Å; E134-Q154 HydrophobicContact CG-CG 4.08Å; Q154-G169 CarbonylContact O-C 3.02Å; Q154-G169 VanDerWaalsContact O-CA 3.28Å; Q154-G169 WeakPolarHBondContact O-CA 3.26Å; Q154-F170 WeakPolarHBondContact O-CD2 3.46Å; Q154-F170 PolarHBondContact O-N 3.49Å; Q154-A193 CarbonylContact C-O 3.59Å; Q154-A193 VanDerWaalsContact CA-O 3.32Å; Q154-A193 WeakPolarHBondContact CA-O 3.48Å
155L94.6Very high78.6Confident7 Ų760.8 Ų60.84%0.03734%0.336CS..BIsolated β-bridgetrans-93.7145.7173-54-174.3000111.4F170 C175 V192 A193 F194 D213 A214 V217L155-F170 WeakPolarHBondContact CA-O 3.43Å; L155-C175 WeakPolarHBondContact CD2-SG 3.33Å; L155-V192 HydrophobicContact CD1-CG1 3.45Å; L155-V192 VanDerWaalsContact CD1-CG1 3.45Å; L155-V192 HydrophobicContact CD2-CG1 4.09Å; L155-V192 HydrophobicContact CG-CG1 3.43Å; L155-V192 VanDerWaalsContact CG-CG1 3.43Å; L155-A193 PolarHBondContact N-O 2.98Å; L155-F194 HydrophobicContact CB-CB 4.42Å; L155-D213 HydrophobicContact CD1-CB 4.16Å; L155-A214 HydrophobicContact CD1-CB 4.36Å; L155-V217 HydrophobicContact CD1-CG2 4.21Å; L155-V217 HydrophobicContact CD2-CG2 4.07Å
156T90.9Very high76.7Confident47 Ų4765.9 Ų65.929%0.28836%0.36SS..PPolyproline II helixtrans-71140.2165.952.90000110.2F168 G169 F170T156-F168 WeakPolarHBondContact CG2-O 3.3Å; T156-G169 WeakPolarHBondContact CG2-O 3.33Å; T156-F170 PolarHBondContact N-O 3.06Å; T156-F170 PolarHBondContact OG1-O 3.42Å
157T84.4Confident75Confident47 Ų4771 Ų7129%0.28839%0.394SS..  trans-117146.6172.262.70000109.8A159 F194 H195 I196 A210T157-A159 PolarHBondContact O-N 2.94Å; T157-F194 HydrophobicContact CG2-CB 3.83Å; T157-F194 HydrophobicContact CG2-CD2 4.37Å; T157-F194 HydrophobicContact CG2-CG 4.44Å; T157-H195 WeakPolarHBondContact CG2-O 3.47Å; T157-H195 PolarHBondContact OG1-O 2.86Å; T157-I196 HydrophobicContact CG2-CD1 3.83Å; T157-A210 HydrophobicContact CG2-CB 4.2Å
158E73.5Confident73.7Confident141 Ų14171.7 Ų71.766%0.65939%0.388SS*.  trans-8410.7173.6-63178.9162.500112H160 R209E158-H160 PolarHBondContact O-N 3.45Å; E158-R209 IonicContact OE2-CZ 2.69Å; E158-R209 IonicContact OE2-NH1 3.94Å; E158-R209 PolarHBondContact OE2-NH1 2.82Å
159A61.1Low72.9Confident14 Ų1467 Ų6712%0.11637%0.372CS..  trans-71.199-179.300000108.9T157 A161 I196 A206T157-A159 PolarHBondContact O-N 2.94Å; A159-A161 PolarHBondContact O-N 3.07Å; A159-I196 HydrophobicContact CB-CD1 3.84Å; A159-I196 HydrophobicContact CB-CG2 4.12Å; A159-A206 HydrophobicContact CB-CB 4.13Å
160H52.2Low72.3Confident170 Ų17067.8 Ų67.879%0.78738%0.375SS*.  trans-55.5103.9178.9-65.2-69.1000111.3E158E158-H160 PolarHBondContact O-N 3.45Å
161A50Low72Confident28 Ų2867.2 Ų67.223%0.23138%0.379CS..  trans-86.2165.9143.600000108.4A159 P197A159-A161 PolarHBondContact O-N 3.07Å; A161-P197 HydrophobicContact CB-CB 3.86Å; A161-P197 HydrophobicContact CB-CG 3.62Å
162A46.8Very low71.7Confident74 Ų7469.8 Ų69.861%0.61239%0.392SS*.  trans-36.6152.4-177.300000114.7T164 S165A162-T164 PolarHBondContact O-N 3.45Å; A162-S165 PolarHBondContact O-N 3.34Å; A162-S165 VanDerWaalsContact O-N 3.09Å
163E40.5Very low71.3Confident208 Ų20879.2 Ų79.297%0.97243%0.433SS*.THydrogen-bonded Turntrans-50.5-5.2-173.2-63.5-179.8162.900116.5
164T37.9Very low71Confident131 Ų13181.5 Ų81.580%0.80445%0.45SS*.THydrogen-bonded Turntrans-104.4-5.1-176.753.10000115.1A162 M166A162-T164 PolarHBondContact O-N 3.45Å; T164-M166 PolarHBondContact O-N 3.07Å
165S49Very low70.9Confident76 Ų7680.5 Ų80.553%0.53145%0.445SS..PPolyproline II helixtrans-78.1117-179.4670000112.1A162A162-S165 PolarHBondContact O-N 3.34Å; A162-S165 VanDerWaalsContact O-N 3.09Å
166M55.9Low71Confident141 Ų14186.1 Ų86.170%0.69547%0.465SS*.PPolyproline II helixtrans-67.4132.5171.2-72.6-72.6-8100110.1T164 F168T164-M166 PolarHBondContact O-N 3.07Å; M166-F168 HydrophobicContact CB-CD2 4.46Å; M166-F168 HydrophobicContact CB-CE2 3.79Å; M166-F168 HydrophobicContact CB-CZ 3.94Å; M166-F168 WeakPolarHBondContact O-CD2 3.29Å; M166-F168 WeakPolarHBondContact O-CE2 3.37Å; M166-F168 PolarHBondContact O-N 3.34Å
167P61.6Low71.2Confident112 Ų11288.6 Ų88.673%0.72747%0.474SS*.PPolyproline II helixtrans-71.2116.917727.8-32000109.7
168F68.1Low71.6Confident104 Ų10486.7 Ų86.746%0.45646%0.462SS..  trans-105147.1174.7-67.2-77.5000110.7A113 F114 E134 T156 M166A113-F168 HydrophobicContact CB-CD1 3.92Å; A113-F168 HydrophobicContact CB-CE1 4.05Å; F114-F168 HydrophobicContact CE2-CE1 4.03Å; F114-F168 HydrophobicContact CZ-CE1 4.37Å; E134-F168 WeakPolarHBondContact OE2-CB 3.35Å; T156-F168 WeakPolarHBondContact CG2-O 3.3Å; M166-F168 HydrophobicContact CB-CD2 4.46Å; M166-F168 HydrophobicContact CB-CE2 3.79Å; M166-F168 HydrophobicContact CB-CZ 3.94Å; M166-F168 WeakPolarHBondContact O-CD2 3.29Å; M166-F168 WeakPolarHBondContact O-CE2 3.37Å; M166-F168 PolarHBondContact O-N 3.34Å
169G80.5Confident72.8Confident22 Ų2280 Ų8023%0.22743%0.43CS..SBendtrans101.3-169.3179.100000114.8Q154 T156Q154-G169 CarbonylContact O-C 3.02Å; Q154-G169 VanDerWaalsContact O-CA 3.28Å; Q154-G169 WeakPolarHBondContact O-CA 3.26Å; T156-G169 WeakPolarHBondContact CG2-O 3.33Å
170F85Confident74.5Confident16 Ų1682.6 Ų82.67%0.0744%0.44CS..BIsolated β-bridgetrans-103.6136.8-173.5-60.6-65.4000112.2C133 E134 N135 L153 Q154 L155 T156 L178C133-F170 VanDerWaalsContact O-CE2 3.26Å; C133-F170 WeakPolarHBondContact O-CE2 3.46Å; E134-F170 WeakPolarHBondContact O-CE1 3.27Å; E134-F170 WeakPolarHBondContact O-CZ 3.3Å; N135-F170 VanDerWaalsContact C-CZ 3.45Å; L153-F170 HydrophobicContact CB-CD2 4.41Å; L153-F170 HydrophobicContact CD2-CE2 4.12Å; Q154-F170 WeakPolarHBondContact O-CD2 3.46Å; Q154-F170 PolarHBondContact O-N 3.49Å; L155-F170 WeakPolarHBondContact CA-O 3.43Å; T156-F170 PolarHBondContact N-O 3.06Å; T156-F170 PolarHBondContact OG1-O 3.42Å; F170-L178 HydrophobicContact CB-CD1 3.93Å; F170-L178 HydrophobicContact CD1-CD1 3.03Å; F170-L178 HydrophobicContact CD1-CD2 4.26Å; F170-L178 HydrophobicContact CD1-CG 4.23Å; F170-L178 HydrophobicContact CD2-CD1 3.83Å; F170-L178 HydrophobicContact CE1-CD1 3.13Å; F170-L178 HydrophobicContact CE1-CD2 3.48Å; F170-L178 VanDerWaalsContact CE1-CD2 3.48Å; F170-L178 HydrophobicContact CE1-CG 3.91Å; F170-L178 HydrophobicContact CE2-CD1 3.96Å; F170-L178 HydrophobicContact CG-CD1 3.34Å; F170-L178 HydrophobicContact CZ-CD1 3.6Å; F170-L178 HydrophobicContact CZ-CD2 3.74Å; F170-L178 HydrophobicContact CZ-CG 4.23Å
171S91.4Very high76.6Confident47 Ų4775 Ų7533%0.32941%0.405SS..  trans-70.4149.6165.8820000110.2K173 S174 C175S171-K173 PolarHBondContact O-N 3.19Å; S171-K173 VanDerWaalsContact O-N 3.09Å; S171-S174 WeakPolarHBondContact O-CB 3.47Å; S171-S174 PolarHBondContact O-N 3.11Å; S171-S174 PolarHBondContact OG-OG 3.32Å; S171-S174 VanDerWaalsContact OG-OG 3.09Å; S171-C175 PolarHBondContact O-N 3.32Å; S171-C175 PolarHBondContact O-SG 3.32Å
172L90.4Very high78.8Confident54 Ų5473.7 Ų73.728%0.28340%0.395SS..Hα-helixtrans-52.1-36.5177.4-17862.7000112.9S174 C175 C216 V217 M220L172-S174 VanDerWaalsContact C-N 3.26Å; L172-S174 PolarHBondContact O-N 2.99Å; L172-C175 PolarHBondContact O-N 3.19Å; L172-C216 HydrophobicContact CD1-CB 3.96Å; L172-V217 HydrophobicContact CD1-CG2 3.61Å; L172-M220 HydrophobicContact CD1-CE 3.85Å; L172-M220 HydrophobicContact CG-CE 4.46Å
173K90.2Very high81.2Confident199 Ų19975.1 Ų75.187%0.86539%0.387SS*.Hα-helixtrans-64-31.1179.3-64.3180-177.4174.20112.8S171S171-K173 PolarHBondContact O-N 3.19Å; S171-K173 VanDerWaalsContact O-N 3.09Å
174S91.6Very high83.8Confident52 Ų5273 Ų7336%0.36438%0.377SS..Hα-helixtrans-85.6-24.7-178-53.70000112.5S171 L172 R176 H177 L178S171-S174 WeakPolarHBondContact O-CB 3.47Å; S171-S174 PolarHBondContact O-N 3.11Å; S171-S174 PolarHBondContact OG-OG 3.32Å; S171-S174 VanDerWaalsContact OG-OG 3.09Å; L172-S174 VanDerWaalsContact C-N 3.26Å; L172-S174 PolarHBondContact O-N 2.99Å; S174-R176 VanDerWaalsContact C-N 3.32Å; S174-R176 PolarHBondContact O-N 2.99Å; S174-H177 PolarHBondContact O-N 3.34Å; S174-L178 WeakPolarHBondContact O-CD1 3.32Å; S174-L178 WeakPolarHBondContact O-CG 3.26Å; S174-L178 PolarHBondContact O-N 2.96Å
175C94.2Very high86.6Confident0 Ų070.1 Ų70.10%036%0.355CS..Hα-helixtrans-56.7-39.7-173.2-68.20000113.9L155 S171 L172 L178 L179 V217L155-C175 WeakPolarHBondContact CD2-SG 3.33Å; S171-C175 PolarHBondContact O-N 3.32Å; S171-C175 PolarHBondContact O-SG 3.32Å; L172-C175 PolarHBondContact O-N 3.19Å; C175-L178 PolarHBondContact O-N 3.05Å; C175-L179 WeakPolarHBondContact O-CG 3.23Å; C175-L179 PolarHBondContact O-N 3.45Å; C175-V217 HydrophobicContact CB-CG1 4.24Å; C175-V217 HydrophobicContact CB-CG2 3.71Å
176R95.1Very high88.8Confident125 Ų12569.3 Ų69.347%0.47236%0.359SS..Hα-helixtrans-60.5-49.2178.6-172.7172-174.3122.64.4112S174 L178 L179 E180 M220S174-R176 VanDerWaalsContact C-N 3.32Å; S174-R176 PolarHBondContact O-N 2.99Å; R176-L178 VanDerWaalsContact C-N 3.27Å; R176-L178 PolarHBondContact O-N 3.14Å; R176-L179 PolarHBondContact O-N 3.01Å; R176-E180 IonicContact NE-OE1 2.7Å; R176-E180 PolarHBondContact NE-OE1 2.86Å; R176-E180 WeakPolarHBondContact O-CG 3.45Å; R176-E180 PolarHBondContact O-N 3.35Å; R176-M220 HydrophobicContact CB-SD 3.75Å; R176-M220 HydrophobicContact CG-SD 4.43Å
177H94.8Very high90.6Very high99 Ų9962.8 Ų62.846%0.45833%0.327SS..Hα-helixtrans-58.8-42.6178.8177.354.3000111.2S174 L179 E180 T181S174-H177 PolarHBondContact O-N 3.34Å; H177-L179 PolarHBondContact O-N 2.91Å; H177-E180 WeakPolarHBondContact O-CB 3.38Å; H177-E180 PolarHBondContact O-N 2.77Å; H177-T181 PolarHBondContact O-N 3.2Å; H177-T181 PolarHBondContact O-OG1 3.31Å
178L94.3Very high92.3Very high8 Ų862.8 Ų62.84%0.04232%0.317CS..Hα-helixtrans-67.2-37.6-179.3-65.4156.2000113E136 F170 S174 C175 R176 T181 A182E136-L178 HydrophobicContact CB-CD2 3.91Å; E136-L178 HydrophobicContact CG-CD2 4.19Å; F170-L178 HydrophobicContact CB-CD1 3.93Å; F170-L178 HydrophobicContact CD1-CD1 3.03Å; F170-L178 HydrophobicContact CD1-CD2 4.26Å; F170-L178 HydrophobicContact CD1-CG 4.23Å; F170-L178 HydrophobicContact CD2-CD1 3.83Å; F170-L178 HydrophobicContact CE1-CD1 3.13Å; F170-L178 HydrophobicContact CE1-CD2 3.48Å; F170-L178 VanDerWaalsContact CE1-CD2 3.48Å; F170-L178 HydrophobicContact CE1-CG 3.91Å; F170-L178 HydrophobicContact CE2-CD1 3.96Å; F170-L178 HydrophobicContact CG-CD1 3.34Å; F170-L178 HydrophobicContact CZ-CD1 3.6Å; F170-L178 HydrophobicContact CZ-CD2 3.74Å; F170-L178 HydrophobicContact CZ-CG 4.23Å; S174-L178 WeakPolarHBondContact O-CD1 3.32Å; S174-L178 WeakPolarHBondContact O-CG 3.26Å; S174-L178 PolarHBondContact O-N 2.96Å; C175-L178 PolarHBondContact O-N 3.05Å; R176-L178 VanDerWaalsContact C-N 3.27Å; R176-L178 PolarHBondContact O-N 3.14Å; L178-T181 PolarHBondContact O-N 3.25Å; L178-A182 WeakPolarHBondContact O-CB 3.45Å; L178-A182 PolarHBondContact O-N 3.29Å
179L97.5Very high93.8Very high0 Ų057.9 Ų57.90%030%0.296CS..Hα-helixtrans-64.3-42.5173.3-72.7165.6000111L153 C175 R176 H177 A182 K183 V189 V217 M220 L224 F226L153-L179 HydrophobicContact CD1-CD2 3.81Å; L153-L179 HydrophobicContact CD1-CG 4Å; C175-L179 WeakPolarHBondContact O-CG 3.23Å; C175-L179 PolarHBondContact O-N 3.45Å; R176-L179 PolarHBondContact O-N 3.01Å; H177-L179 PolarHBondContact O-N 2.91Å; L179-A182 PolarHBondContact O-N 3.09Å; L179-K183 PolarHBondContact O-N 3.38Å; L179-V189 HydrophobicContact CD2-CB 3.97Å; L179-V189 HydrophobicContact CD2-CG1 3.79Å; L179-V189 HydrophobicContact CD2-CG2 4.06Å; L179-V217 HydrophobicContact CD1-CG1 4.34Å; L179-M220 HydrophobicContact CD1-CB 3.72Å; L179-L224 HydrophobicContact CB-CD1 3.48Å; L179-L224 VanDerWaalsContact CB-CD1 3.48Å; L179-L224 HydrophobicContact CD1-CD1 4.4Å; L179-F226 HydrophobicContact CB-CE2 3.99Å; L179-F226 HydrophobicContact CD2-CD2 3.94Å; L179-F226 HydrophobicContact CD2-CE2 3.9Å; L179-F226 WeakPolarHBondContact O-CE2 3.16Å; L179-F226 VanDerWaalsContact O-CZ 3.3Å; L179-F226 WeakPolarHBondContact O-CZ 3.47Å
180E97Very high94.6Very high69 Ų6957 Ų5732%0.32229%0.286SS..Hα-helixtrans-60.7-48174.3-70.1166.1177.400110.7R176 H177 A182 K183 E184 L224R176-E180 IonicContact NE-OE1 2.7Å; R176-E180 PolarHBondContact NE-OE1 2.86Å; R176-E180 WeakPolarHBondContact O-CG 3.45Å; R176-E180 PolarHBondContact O-N 3.35Å; H177-E180 WeakPolarHBondContact O-CB 3.38Å; H177-E180 PolarHBondContact O-N 2.77Å; E180-A182 PolarHBondContact O-N 3.11Å; E180-K183 VanDerWaalsContact O-CB 3.31Å; E180-K183 WeakPolarHBondContact O-CB 3.31Å; E180-K183 PolarHBondContact O-N 2.89Å; E180-K183 VanDerWaalsContact O-N 3.13Å; E180-E184 WeakPolarHBondContact O-CG 3.46Å; E180-E184 PolarHBondContact O-N 2.8Å; E180-L224 HydrophobicContact CG-CD1 3.97Å; E180-L224 HydrophobicContact CG-CD2 4.06Å
181T96.3Very high95.3Very high9 Ų956.3 Ų56.36%0.05528%0.283CS..Hα-helixtrans-60.7-41.9175.4-54.40000112.3L139 H177 L178 K183 E184 Q185L139-T181 HydrophobicContact CD2-CG2 3.81Å; H177-T181 PolarHBondContact O-N 3.2Å; H177-T181 PolarHBondContact O-OG1 3.31Å; L178-T181 PolarHBondContact O-N 3.25Å; T181-K183 VanDerWaalsContact C-N 3.27Å; T181-K183 PolarHBondContact O-N 3.48Å; T181-E184 PolarHBondContact O-N 3.3Å; T181-Q185 HydrophobicContact CG2-CG 4.39Å; T181-Q185 WeakPolarHBondContact O-CB 3.47Å; T181-Q185 VanDerWaalsContact O-CG 3.3Å; T181-Q185 WeakPolarHBondContact O-CG 3.36Å; T181-Q185 PolarHBondContact O-N 2.99Å
182A96.7Very high95.6Very high1 Ų154 Ų541%0.00827%0.267CS..Hα-helixtrans-62.6-37.717700000111.3L139 L178 L179 E180 Q185 G186 V187 V189 F226L139-A182 HydrophobicContact CD1-CB 3.93Å; L139-A182 HydrophobicContact CD2-CB 4.07Å; L178-A182 WeakPolarHBondContact O-CB 3.45Å; L178-A182 PolarHBondContact O-N 3.29Å; L179-A182 PolarHBondContact O-N 3.09Å; E180-A182 PolarHBondContact O-N 3.11Å; A182-Q185 PolarHBondContact O-N 3.18Å; A182-G186 PolarHBondContact O-N 3.1Å; A182-V187 PolarHBondContact O-N 3.19Å; A182-V189 HydrophobicContact CB-CG2 3.69Å; A182-F226 HydrophobicContact CB-CZ 4.19Å
183K96.3Very high95.9Very high105 Ų10551.5 Ų51.546%0.45725%0.254SS..Hα-helixtrans-64.5-46.8175.6-167.174.6175.7-154.30111.3L179 E180 T181 Q185 G186 L224 F226L179-K183 PolarHBondContact O-N 3.38Å; E180-K183 VanDerWaalsContact O-CB 3.31Å; E180-K183 WeakPolarHBondContact O-CB 3.31Å; E180-K183 PolarHBondContact O-N 2.89Å; E180-K183 VanDerWaalsContact O-N 3.13Å; T181-K183 VanDerWaalsContact C-N 3.27Å; T181-K183 PolarHBondContact O-N 3.48Å; K183-Q185 VanDerWaalsContact C-N 3.29Å; K183-Q185 PolarHBondContact O-N 2.67Å; K183-G186 PolarHBondContact O-N 3.26Å; K183-G186 VanDerWaalsContact O-N 3.12Å; K183-L224 PolarHBondContact NZ-O 2.94Å; K183-F226 HydrophobicContact CB-CE2 4.34Å; K183-F226 HydrophobicContact CB-CZ 3.84Å; K183-F226 HydrophobicContact CD-CE1 4.25Å; K183-F226 HydrophobicContact CD-CE2 4.38Å; K183-F226 HydrophobicContact CD-CZ 3.94Å
184E96.3Very high96.1Very high163 Ų16342.1 Ų42.176%0.76221%0.213SC*.Hα-helixtrans-60.9-38.3176.9-70.7174.7174.300112.1E180 T181 G186E180-E184 WeakPolarHBondContact O-CG 3.46Å; E180-E184 PolarHBondContact O-N 2.8Å; T181-E184 PolarHBondContact O-N 3.3Å; E184-G186 VanDerWaalsContact C-N 3.27Å; E184-G186 PolarHBondContact O-N 3.24Å
185Q95.7Very high96.1Very high70 Ų7043.6 Ų43.633%0.32721%0.214SC..THydrogen-bonded Turntrans-81.1-3.2177.6-65.5-174.420.400113.8S140 A143 T181 A182 K183 V187S140-Q185 PolarHBondContact OG-NE2 3.38Å; A143-Q185 HydrophobicContact CB-CB 4.05Å; T181-Q185 HydrophobicContact CG2-CG 4.39Å; T181-Q185 WeakPolarHBondContact O-CB 3.47Å; T181-Q185 VanDerWaalsContact O-CG 3.3Å; T181-Q185 WeakPolarHBondContact O-CG 3.36Å; T181-Q185 PolarHBondContact O-N 2.99Å; A182-Q185 PolarHBondContact O-N 3.18Å; K183-Q185 VanDerWaalsContact C-N 3.29Å; K183-Q185 PolarHBondContact O-N 2.67Å; Q185-V187 VanDerWaalsContact C-N 3.3Å; Q185-V187 HydrophobicContact CB-CG2 4.33Å; Q185-V187 PolarHBondContact O-N 2.85Å
186G94.9Very high95.9Very high60 Ų6043.6 Ų43.662%0.61921%0.214SC*.THydrogen-bonded Turntrans70.919.2178.400000114.9A182 K183 E184A182-G186 PolarHBondContact O-N 3.1Å; K183-G186 PolarHBondContact O-N 3.26Å; K183-G186 VanDerWaalsContact O-N 3.12Å; E184-G186 VanDerWaalsContact C-N 3.27Å; E184-G186 PolarHBondContact O-N 3.24Å
187V95.5Very high95.5Very high4 Ų438.6 Ų38.62%0.02420%0.198CC..PPolyproline II helixtrans-91.7141178.8-174.90000110.3L139 A143 L151 A182 Q185L139-V187 HydrophobicContact CD1-CB 4.37Å; L139-V187 HydrophobicContact CD1-CG2 4.49Å; A143-V187 VanDerWaalsContact CA-CG2 3.47Å; A143-V187 HydrophobicContact CB-CG2 3.35Å; L151-V187 HydrophobicContact CD1-CG1 3.56Å; L151-V187 HydrophobicContact CG-CG1 3.72Å; A182-V187 PolarHBondContact O-N 3.19Å; Q185-V187 VanDerWaalsContact C-N 3.3Å; Q185-V187 HydrophobicContact CB-CG2 4.33Å; Q185-V187 PolarHBondContact O-N 2.85Å
188Q97.4Very high94.9Very high111 Ų11136.9 Ų36.952%0.51920%0.197SC..EExtended strand (participates in β ladder)trans-81.4128.3176.4-64.1-167.8-0.700110.9L151 V190L151-Q188 PolarHBondContact N-O 3.31Å; Q188-V190 HydrophobicContact CB-CG1 4.44Å
189V98.4Very high94.3Very high1 Ų139.5 Ų39.51%0.00622%0.216CC..EExtended strand (participates in β ladder)trans-101127.9162.4-176.40000107.6L151 L153 L179 A182 F226 M228L151-V189 HydrophobicContact CB-CG2 4.36Å; L153-V189 HydrophobicContact CD1-CG1 4.05Å; L153-V189 HydrophobicContact CD2-CG1 4.39Å; L153-V189 HydrophobicContact CG-CG1 3.8Å; L179-V189 HydrophobicContact CD2-CB 3.97Å; L179-V189 HydrophobicContact CD2-CG1 3.79Å; L179-V189 HydrophobicContact CD2-CG2 4.06Å; A182-V189 HydrophobicContact CB-CG2 3.69Å; V189-F226 HydrophobicContact CB-CD1 3.97Å; V189-F226 HydrophobicContact CB-CE1 4.11Å; V189-F226 HydrophobicContact CB-CG 4.28Å; V189-F226 HydrophobicContact CG2-CD1 4.48Å; V189-F226 HydrophobicContact CG2-CE1 4.12Å; V189-F226 HydrophobicContact CG2-CZ 4.29Å; V189-M228 HydrophobicContact CG1-CE 4.33Å; V189-M228 HydrophobicContact CG1-SD 4.06Å
190V98.5Very high93.7Very high5 Ų540.3 Ų40.33%0.0322%0.221CC..EExtended strand (participates in β ladder)trans-120.2-2.7-174.9-600000113.1K150 L151 L152 Q188 M228 Q229 I230K150-V190 HydrophobicContact CB-CB 4.43Å; K150-V190 HydrophobicContact CB-CG1 3.74Å; K150-V190 HydrophobicContact CB-CG2 3.8Å; K150-V190 HydrophobicContact CD-CG1 4.06Å; K150-V190 HydrophobicContact CG-CG1 3.86Å; L151-V190 PolarHBondContact O-N 3.17Å; L152-V190 HydrophobicContact CD2-CG2 4.39Å; Q188-V190 HydrophobicContact CB-CG1 4.44Å; V190-M228 CarbonylContact O-C 3.49Å; V190-Q229 PolarHBondContact O-N 3.31Å; V190-I230 HydrophobicContact CG2-CD1 4.21Å; V190-I230 PolarHBondContact O-N 3.49Å
191G98.2Very high93.2Very high0 Ų045.8 Ų45.80%025%0.247CC..EExtended strand (participates in β ladder)trans173.3-171.6-173.700000115.2L151 L152 L153 I230L151-G191 PolarHBondContact O-N 3.09Å; L152-G191 WeakPolarHBondContact CA-O 3.37Å; L153-G191 PolarHBondContact N-O 2.94Å; G191-I230 CarbonylContact C-O 3.52Å; G191-I230 WeakPolarHBondContact CA-O 3.47Å
192V98.1Very high92.9Very high0 Ų049.2 Ų49.20%027%0.265CS..EExtended strand (participates in β ladder)trans-135.7142.2-174.7-179.20000108.8L153 L155 A214 V217 F218 M228 I230 L231 D232L153-V192 CarbonylContact O-C 3.59Å; L153-V192 WeakPolarHBondContact O-CA 3.45Å; L153-V192 WeakPolarHBondContact O-CG1 3.39Å; L155-V192 HydrophobicContact CD1-CG1 3.45Å; L155-V192 VanDerWaalsContact CD1-CG1 3.45Å; L155-V192 HydrophobicContact CD2-CG1 4.09Å; L155-V192 HydrophobicContact CG-CG1 3.43Å; L155-V192 VanDerWaalsContact CG-CG1 3.43Å; V192-A214 HydrophobicContact CB-CB 4.48Å; V192-A214 HydrophobicContact CG1-CB 4.08Å; V192-V217 HydrophobicContact CG2-CB 3.98Å; V192-V217 HydrophobicContact CG2-CG1 3.6Å; V192-F218 HydrophobicContact CB-CD2 4.26Å; V192-F218 HydrophobicContact CB-CE2 3.87Å; V192-F218 HydrophobicContact CG2-CD2 3.68Å; V192-F218 HydrophobicContact CG2-CE2 3.72Å; V192-M228 HydrophobicContact CG2-CE 3.94Å; V192-I230 PolarHBondContact N-O 2.69Å; V192-L231 WeakPolarHBondContact O-CA 3.45Å; V192-D232 PolarHBondContact O-N 3.38Å
193A97Very high92.6Very high1 Ų150.2 Ų50.21%0.00827%0.27CS..EExtended strand (participates in β ladder)trans-121.7147.3171.400000110L152 L153 Q154 L155 D232L152-A193 HydrophobicContact CB-CB 4.42Å; L153-A193 PolarHBondContact O-N 2.71Å; Q154-A193 CarbonylContact C-O 3.59Å; Q154-A193 VanDerWaalsContact CA-O 3.32Å; Q154-A193 WeakPolarHBondContact CA-O 3.48Å; L155-A193 PolarHBondContact N-O 2.98Å; A193-D232 CarbonylContact C-O 3.51Å; A193-D232 VanDerWaalsContact CA-O 3.3Å; A193-D232 WeakPolarHBondContact CA-O 3.36Å; A193-D232 HydrophobicContact CB-CB 3.84Å
194F94.7Very high92.5Very high2 Ų249.6 Ų49.61%0.00927%0.269CS..  trans-144.3167.716762.9-100.6000110.1L155 T157 I196 Y207 A210 L211 A214 L231 D232 I233 G234L155-F194 HydrophobicContact CB-CB 4.42Å; T157-F194 HydrophobicContact CG2-CB 3.83Å; T157-F194 HydrophobicContact CG2-CD2 4.37Å; T157-F194 HydrophobicContact CG2-CG 4.44Å; F194-I196 HydrophobicContact CD2-CD1 4.24Å; F194-I196 HydrophobicContact CD2-CG1 4.05Å; F194-I196 HydrophobicContact CE2-CD1 4.47Å; F194-I196 HydrophobicContact CE2-CG1 3.96Å; F194-Y207 AromaticContact CE2-CD1 3.87Å; F194-Y207 HydrophobicContact CE2-CD1 3.87Å; F194-Y207 AromaticContact CE2-CE1 3.81Å; F194-Y207 HydrophobicContact CE2-CE1 3.81Å; F194-Y207 HydrophobicContact CZ-CD1 4.15Å; F194-Y207 HydrophobicContact CZ-CE1 4.32Å; F194-A210 HydrophobicContact CD1-CB 4.13Å; F194-A210 HydrophobicContact CD2-CB 3.68Å; F194-A210 HydrophobicContact CE1-CB 4.14Å; F194-A210 HydrophobicContact CE2-CB 3.71Å; F194-A210 HydrophobicContact CG-CB 3.9Å; F194-A210 HydrophobicContact CZ-CB 3.95Å; F194-L211 HydrophobicContact CE1-CD2 3.87Å; F194-L211 HydrophobicContact CE1-CG 4.28Å; F194-L211 HydrophobicContact CZ-CD2 3.85Å; F194-L211 HydrophobicContact CZ-CG 3.98Å; F194-A214 HydrophobicContact CD1-CB 4.47Å; F194-A214 HydrophobicContact CE1-CB 4.44Å; F194-L231 HydrophobicContact CE1-CD1 4.1Å; F194-D232 PolarHBondContact N-O 3.26Å; F194-I233 HydrophobicContact CE1-CG2 4.18Å; F194-I233 HydrophobicContact CE2-CB 4.06Å; F194-I233 HydrophobicContact CE2-CG2 4.49Å; F194-I233 HydrophobicContact CZ-CB 3.8Å; F194-I233 HydrophobicContact CZ-CG2 3.74Å; F194-I233 CarbonylContact O-C 3.59Å; F194-I233 VanDerWaalsContact O-C 3.3Å; F194-G234 WeakPolarHBondContact O-CA 3.1Å; F194-G234 PolarHBondContact O-N 2.77Å; F194-G234 VanDerWaalsContact O-N 3.11Å
195H90.9Very high92.3Very high82 Ų8246.3 Ų46.338%0.3825%0.253SS..  trans-131.5127.8176.8-175.287.2000110.5T157 G235T157-H195 WeakPolarHBondContact CG2-O 3.47Å; T157-H195 PolarHBondContact OG1-O 2.86Å; H195-G235 PolarHBondContact ND1-N 3.31Å
196I89.9Confident92.2Very high1 Ų143.6 Ų43.61%0.00524%0.243CC..  trans-108.7118.4167.6-54-56.5000106.8T157 A159 F194 C200 L203 A206 Y207 A210 G236T157-I196 HydrophobicContact CG2-CD1 3.83Å; A159-I196 HydrophobicContact CB-CD1 3.84Å; A159-I196 HydrophobicContact CB-CG2 4.12Å; F194-I196 HydrophobicContact CD2-CD1 4.24Å; F194-I196 HydrophobicContact CD2-CG1 4.05Å; F194-I196 HydrophobicContact CE2-CD1 4.47Å; F194-I196 HydrophobicContact CE2-CG1 3.96Å; I196-C200 HydrophobicContact CG2-CB 3.9Å; I196-L203 HydrophobicContact CG2-CD2 4.27Å; I196-A206 HydrophobicContact CD1-CB 4.13Å; I196-A206 HydrophobicContact CG2-CB 4.05Å; I196-Y207 HydrophobicContact CB-CE1 4.36Å; I196-Y207 HydrophobicContact CB-CE2 4.25Å; I196-Y207 HydrophobicContact CG1-CD1 4.05Å; I196-Y207 HydrophobicContact CG1-CE1 3.82Å; I196-Y207 HydrophobicContact CG1-CE2 4.29Å; I196-Y207 HydrophobicContact CG1-CG 4.4Å; I196-Y207 HydrophobicContact CG2-CE2 4.22Å; I196-A210 HydrophobicContact CD1-CB 4.12Å; I196-G236 VanDerWaalsContact O-CA 3.22Å; I196-G236 WeakPolarHBondContact O-CA 3.28Å
197P86.1Confident92.3Very high19 Ų1940.8 Ų40.812%0.12321%0.214CC..  trans-61.8146.8179.2-23.233.4000112.2A161 S199 C200A161-P197 HydrophobicContact CB-CB 3.86Å; A161-P197 HydrophobicContact CB-CG 3.62Å; P197-S199 PolarHBondContact O-N 2.84Å; P197-C200 WeakPolarHBondContact O-CB 3.27Å; P197-C200 PolarHBondContact O-N 2.99Å
198S83.2Confident92.3Very high63 Ų6342.9 Ų42.944%0.44123%0.227SC..THydrogen-bonded Turntrans-64-20.417653.80000113.7C200S198-C200 VanDerWaalsContact C-N 3.28Å
199S81.7Confident92.2Very high64 Ų6442.8 Ų42.845%0.44822%0.222SC..THydrogen-bonded Turntrans-79.8-5.7175.6540000114P197 Q201P197-S199 PolarHBondContact O-N 2.84Å; S199-Q201 PolarHBondContact O-N 2.88Å; S199-Q201 PolarHBondContact O-NE2 2.93Å
200C85Confident92Very high16 Ų1643 Ų4311%0.10822%0.224CC..  trans-64.4124-179.9-174.20000111.1I196 P197 S198 L203I196-C200 HydrophobicContact CG2-CB 3.9Å; P197-C200 WeakPolarHBondContact O-CB 3.27Å; P197-C200 PolarHBondContact O-N 2.99Å; S198-C200 VanDerWaalsContact C-N 3.28Å; C200-L203 HydrophobicContact CB-CD2 4.03Å
201Q85.6Confident92Very high185 Ų18542.8 Ų42.886%0.86422%0.222SC*.SBendtrans-80.8-39.1-177.2-61.6-63.3-44.700112.7S199 L203S199-Q201 PolarHBondContact O-N 2.88Å; S199-Q201 PolarHBondContact O-NE2 2.93Å; Q201-L203 PolarHBondContact O-N 2.9Å
202D90.5Very high92Very high81 Ų8145 Ų4543%0.43324%0.238SC..  trans-102.372.7179-168.9-11.8000110.9Q204 Q205 A206D202-Q204 PolarHBondContact O-N 3.4Å; D202-Q204 PolarHBondContact OD1-N 3.44Å; D202-Q205 HydrophobicContact CB-CB 4.36Å; D202-Q205 PolarHBondContact O-N 2.86Å; D202-Q205 WeakPolarHBondContact OD1-CB 3.39Å; D202-Q205 PolarHBondContact OD1-N 3.29Å; D202-Q205 VanDerWaalsContact OD2-CB 3.26Å; D202-Q205 WeakPolarHBondContact OD2-CB 3.44Å; D202-A206 VanDerWaalsContact O-CB 3.28Å; D202-A206 WeakPolarHBondContact O-CB 3.42Å; D202-A206 PolarHBondContact O-N 2.88Å
203L91.1Very high91.9Very high21 Ų2147.5 Ų47.511%0.1125%0.251CS..Hα-helixtrans-57.9-38.6178.1-64.3176.1000111.7I196 C200 Q201 A206 Y207 Q246 V247I196-L203 HydrophobicContact CG2-CD2 4.27Å; C200-L203 HydrophobicContact CB-CD2 4.03Å; Q201-L203 PolarHBondContact O-N 2.9Å; L203-A206 PolarHBondContact O-N 3.01Å; L203-Y207 HydrophobicContact CB-CD2 4.37Å; L203-Y207 HydrophobicContact CD2-CE2 4.27Å; L203-Y207 WeakPolarHBondContact O-CB 3.45Å; L203-Y207 VanDerWaalsContact O-CD2 3.31Å; L203-Y207 WeakPolarHBondContact O-CD2 3.33Å; L203-Y207 PolarHBondContact O-N 2.8Å; L203-Q246 HydrophobicContact CD1-CB 4.16Å; L203-V247 HydrophobicContact CD1-CG2 3.94Å
204Q93.1Very high92Very high93 Ų9347.4 Ų47.444%0.43525%0.25SS..Hα-helixtrans-61.2-51.5-177.7-175.563.939.300111D202 T208 A250D202-Q204 PolarHBondContact O-N 3.4Å; D202-Q204 PolarHBondContact OD1-N 3.44Å; Q204-T208 VanDerWaalsContact O-CB 3.31Å; Q204-T208 WeakPolarHBondContact O-CB 3.27Å; Q204-T208 PolarHBondContact O-N 2.99Å; Q204-T208 PolarHBondContact O-OG1 3.12Å; Q204-A250 VanDerWaalsContact OE1-CA 3.28Å
205Q93.8Very high92.1Very high93 Ų9349.3 Ų49.344%0.43526%0.258SS..Hα-helixtrans-66.8-42.3179.7-176173.56700111.7D202 T208 R209D202-Q205 HydrophobicContact CB-CB 4.36Å; D202-Q205 PolarHBondContact O-N 2.86Å; D202-Q205 WeakPolarHBondContact OD1-CB 3.39Å; D202-Q205 PolarHBondContact OD1-N 3.29Å; D202-Q205 VanDerWaalsContact OD2-CB 3.26Å; D202-Q205 WeakPolarHBondContact OD2-CB 3.44Å; Q205-T208 PolarHBondContact O-N 2.86Å; Q205-R209 PolarHBondContact O-N 3.49Å; Q205-R209 VanDerWaalsContact O-N 3.07Å
206A93.4Very high92.5Very high13 Ų1347.7 Ų47.711%0.10726%0.255CS..Hα-helixtrans-61-49.9-178.100000112.1A159 I196 D202 L203 R209 A210A159-A206 HydrophobicContact CB-CB 4.13Å; I196-A206 HydrophobicContact CD1-CB 4.13Å; I196-A206 HydrophobicContact CG2-CB 4.05Å; D202-A206 VanDerWaalsContact O-CB 3.28Å; D202-A206 WeakPolarHBondContact O-CB 3.42Å; D202-A206 PolarHBondContact O-N 2.88Å; L203-A206 PolarHBondContact O-N 3.01Å; A206-R209 PolarHBondContact O-N 3.37Å; A206-A210 WeakPolarHBondContact O-CB 3.32Å; A206-A210 PolarHBondContact O-N 2.84Å
207Y95.5Very high92.9Very high1 Ų147.7 Ų47.70%0.00426%0.255CS..Hα-helixtrans-68.4-34.9176.8-81.4-71.8000112.7F194 I196 L203 R209 A210 L211 I233 V247 V251F194-Y207 AromaticContact CE2-CD1 3.87Å; F194-Y207 HydrophobicContact CE2-CD1 3.87Å; F194-Y207 AromaticContact CE2-CE1 3.81Å; F194-Y207 HydrophobicContact CE2-CE1 3.81Å; F194-Y207 HydrophobicContact CZ-CD1 4.15Å; F194-Y207 HydrophobicContact CZ-CE1 4.32Å; I196-Y207 HydrophobicContact CB-CE1 4.36Å; I196-Y207 HydrophobicContact CB-CE2 4.25Å; I196-Y207 HydrophobicContact CG1-CD1 4.05Å; I196-Y207 HydrophobicContact CG1-CE1 3.82Å; I196-Y207 HydrophobicContact CG1-CE2 4.29Å; I196-Y207 HydrophobicContact CG1-CG 4.4Å; I196-Y207 HydrophobicContact CG2-CE2 4.22Å; L203-Y207 HydrophobicContact CB-CD2 4.37Å; L203-Y207 HydrophobicContact CD2-CE2 4.27Å; L203-Y207 WeakPolarHBondContact O-CB 3.45Å; L203-Y207 VanDerWaalsContact O-CD2 3.31Å; L203-Y207 WeakPolarHBondContact O-CD2 3.33Å; L203-Y207 PolarHBondContact O-N 2.8Å; Y207-R209 PolarHBondContact O-N 2.77Å; Y207-A210 PolarHBondContact O-N 3.39Å; Y207-L211 VanDerWaalsContact O-CB 3.28Å; Y207-L211 WeakPolarHBondContact O-CB 3.47Å; Y207-L211 WeakPolarHBondContact O-CG 3.35Å; Y207-L211 PolarHBondContact O-N 2.84Å; Y207-I233 HydrophobicContact CE1-CB 4.43Å; Y207-V247 HydrophobicContact CE2-CG1 3.89Å; Y207-V247 HydrophobicContact CE2-CG2 4.38Å; Y207-V251 HydrophobicContact CD1-CG2 3.46Å; Y207-V251 VanDerWaalsContact CD1-CG2 3.46Å; Y207-V251 HydrophobicContact CD2-CG2 3.84Å; Y207-V251 HydrophobicContact CE1-CG2 3.67Å; Y207-V251 HydrophobicContact CE2-CG2 4.05Å; Y207-V251 HydrophobicContact CG-CG2 3.55Å
208T96.1Very high93.5Very high48 Ų4846.9 Ų46.929%0.29425%0.249SC..Hα-helixtrans-57.9-48.1175.3-60.40000111.2Q204 Q205 S212 L254Q204-T208 VanDerWaalsContact O-CB 3.31Å; Q204-T208 WeakPolarHBondContact O-CB 3.27Å; Q204-T208 PolarHBondContact O-N 2.99Å; Q204-T208 PolarHBondContact O-OG1 3.12Å; Q205-T208 PolarHBondContact O-N 2.86Å; T208-S212 VanDerWaalsContact O-CB 3.23Å; T208-S212 WeakPolarHBondContact O-CB 3.39Å; T208-S212 PolarHBondContact O-N 3.28Å; T208-S212 VanDerWaalsContact O-N 3.14Å; T208-L254 HydrophobicContact CG2-CD2 4.35Å
209R94.9Very high94.2Very high110 Ų11047.3 Ų47.342%0.41525%0.247SC..Hα-helixtrans-65.5-51.7178.1-69179.7-172.5173.611.1111.2E158 Q205 A206 Y207 L211 S212 D213E158-R209 IonicContact OE2-CZ 2.69Å; E158-R209 IonicContact OE2-NH1 3.94Å; E158-R209 PolarHBondContact OE2-NH1 2.82Å; Q205-R209 PolarHBondContact O-N 3.49Å; Q205-R209 VanDerWaalsContact O-N 3.07Å; A206-R209 PolarHBondContact O-N 3.37Å; Y207-R209 PolarHBondContact O-N 2.77Å; R209-L211 PolarHBondContact O-N 3.02Å; R209-S212 PolarHBondContact O-N 3.29Å; R209-D213 PolarHBondContact O-N 2.85Å
210A95.6Very high95Very high6 Ų645.6 Ų45.65%0.0523%0.232CC..Hα-helixtrans-61.8-41.6-175.700000113.2T157 F194 I196 A206 Y207 D213 A214T157-A210 HydrophobicContact CG2-CB 4.2Å; F194-A210 HydrophobicContact CD1-CB 4.13Å; F194-A210 HydrophobicContact CD2-CB 3.68Å; F194-A210 HydrophobicContact CE1-CB 4.14Å; F194-A210 HydrophobicContact CE2-CB 3.71Å; F194-A210 HydrophobicContact CG-CB 3.9Å; F194-A210 HydrophobicContact CZ-CB 3.95Å; I196-A210 HydrophobicContact CD1-CB 4.12Å; A206-A210 WeakPolarHBondContact O-CB 3.32Å; A206-A210 PolarHBondContact O-N 2.84Å; Y207-A210 PolarHBondContact O-N 3.39Å; A210-D213 PolarHBondContact O-N 3.2Å; A210-A214 VanDerWaalsContact O-CB 3.31Å; A210-A214 WeakPolarHBondContact O-CB 3.44Å; A210-A214 PolarHBondContact O-N 3.46Å
211L97.4Very high95.6Very high0 Ų044.9 Ų44.90%023%0.227CC..Hα-helixtrans-72.4-35.2178.2-73.1168.2000112.5F194 Y207 R209 R215 L231 I233 V251 L254 L255 Y258 F259F194-L211 HydrophobicContact CE1-CD2 3.87Å; F194-L211 HydrophobicContact CE1-CG 4.28Å; F194-L211 HydrophobicContact CZ-CD2 3.85Å; F194-L211 HydrophobicContact CZ-CG 3.98Å; Y207-L211 VanDerWaalsContact O-CB 3.28Å; Y207-L211 WeakPolarHBondContact O-CB 3.47Å; Y207-L211 WeakPolarHBondContact O-CG 3.35Å; Y207-L211 PolarHBondContact O-N 2.84Å; R209-L211 PolarHBondContact O-N 3.02Å; L211-R215 WeakPolarHBondContact O-CB 3.4Å; L211-R215 PolarHBondContact O-N 2.83Å; L211-L231 HydrophobicContact CD2-CD2 3.68Å; L211-I233 HydrophobicContact CD2-CG2 4.4Å; L211-V251 HydrophobicContact CD1-CG1 4.34Å; L211-L254 HydrophobicContact CB-CB 4.45Å; L211-L254 HydrophobicContact CD1-CB 3.48Å; L211-L254 VanDerWaalsContact CD1-CB 3.48Å; L211-L254 HydrophobicContact CD1-CD1 3.76Å; L211-L254 HydrophobicContact CD1-CG 4.29Å; L211-L255 HydrophobicContact CD1-CD2 4.43Å; L211-L255 HydrophobicContact CD2-CD2 3.9Å; L211-Y258 HydrophobicContact CB-CD2 4.12Å; L211-F259 HydrophobicContact CD2-CD2 4.43Å; L211-F259 HydrophobicContact CD2-CE2 4.17Å
212S97.4Very high96.2Very high46 Ų4640 Ų4032%0.32221%0.207SC..Hα-helixtrans-63.6-44.8172.2177.70000111.4T208 R209 R215 C216T208-S212 VanDerWaalsContact O-CB 3.23Å; T208-S212 WeakPolarHBondContact O-CB 3.39Å; T208-S212 PolarHBondContact O-N 3.28Å; T208-S212 VanDerWaalsContact O-N 3.14Å; R209-S212 PolarHBondContact O-N 3.29Å; S212-R215 WeakPolarHBondContact O-CB 3.28Å; S212-R215 PolarHBondContact O-N 2.97Å; S212-C216 PolarHBondContact O-N 3.48Å
213D97.3Very high96.6Very high52 Ų5242.4 Ų42.428%0.27822%0.219SC..Hα-helixtrans-65.1-43.9177.4-72.5-6.5000111L155 R209 A210 R215 C216 V217L155-D213 HydrophobicContact CD1-CB 4.16Å; R209-D213 PolarHBondContact O-N 2.85Å; A210-D213 PolarHBondContact O-N 3.2Å; D213-R215 VanDerWaalsContact C-N 3.31Å; D213-R215 PolarHBondContact O-N 2.9Å; D213-C216 WeakPolarHBondContact O-CB 3.33Å; D213-C216 PolarHBondContact O-N 3.01Å; D213-C216 VanDerWaalsContact O-N 3.16Å; D213-V217 WeakPolarHBondContact O-CG2 3.5Å; D213-V217 PolarHBondContact O-N 2.86Å
214A98.1Very high96.9Very high0 Ų043.5 Ų43.50%023%0.225CC..Hα-helixtrans-57.4-44.617400000111.4L155 V192 F194 A210 C216 V217 F218 L231 F259L155-A214 HydrophobicContact CD1-CB 4.36Å; V192-A214 HydrophobicContact CB-CB 4.48Å; V192-A214 HydrophobicContact CG1-CB 4.08Å; F194-A214 HydrophobicContact CD1-CB 4.47Å; F194-A214 HydrophobicContact CE1-CB 4.44Å; A210-A214 VanDerWaalsContact O-CB 3.31Å; A210-A214 WeakPolarHBondContact O-CB 3.44Å; A210-A214 PolarHBondContact O-N 3.46Å; A214-C216 VanDerWaalsContact C-N 3.32Å; A214-C216 PolarHBondContact O-N 3.4Å; A214-V217 PolarHBondContact O-N 3.38Å; A214-F218 VanDerWaalsContact O-CD2 3.25Å; A214-F218 WeakPolarHBondContact O-CD2 3.38Å; A214-F218 PolarHBondContact O-N 2.89Å; A214-L231 HydrophobicContact CB-CD1 3.75Å; A214-F259 HydrophobicContact CB-CZ 4.14Å
215R98.3Very high97.1Very high42 Ų4241.6 Ų41.616%0.15823%0.231CC..Hα-helixtrans-58.6-44.6176.1-178.664.4-96.9169.9-5.3111.7L211 S212 D213 V217 F218 D219 Y258 F259L211-R215 WeakPolarHBondContact O-CB 3.4Å; L211-R215 PolarHBondContact O-N 2.83Å; S212-R215 WeakPolarHBondContact O-CB 3.28Å; S212-R215 PolarHBondContact O-N 2.97Å; D213-R215 VanDerWaalsContact C-N 3.31Å; D213-R215 PolarHBondContact O-N 2.9Å; R215-V217 VanDerWaalsContact C-N 3.34Å; R215-V217 PolarHBondContact O-N 2.78Å; R215-F218 VanDerWaalsContact NH2-CB 3.33Å; R215-F218 WeakPolarHBondContact O-CB 2.86Å; R215-F218 PolarHBondContact O-N 2.78Å; R215-D219 IonicContact CZ-OD1 3.19Å; R215-D219 IonicContact NE-OD1 3.71Å; R215-D219 PolarHBondContact NE-OD1 3.09Å; R215-D219 IonicContact NE-OD2 3.19Å; R215-D219 IonicContact NH2-OD1 2.66Å; R215-D219 PolarHBondContact NH2-OD1 3.29Å; R215-D219 VanDerWaalsContact O-CG 3.26Å; R215-D219 PolarHBondContact O-N 3.36Å; R215-Y258 HydrophobicContact CB-CD1 4.11Å; R215-Y258 HydrophobicContact CB-CG 4.19Å; R215-Y258 WeakPolarHBondContact CD-O 3.39Å; R215-Y258 HydrophobicContact CG-CD1 3.86Å; R215-Y258 HydrophobicContact CG-CG 4.29Å; R215-Y258 PolarHBondContact NH1-O 3.33Å; R215-F259 HydrophobicContact CB-CE2 4.33Å; R215-F259 HydrophobicContact CB-CZ 4.06Å
216C98.3Very high97.3Very high48 Ų4838 Ų3832%0.32421%0.214SC..Hα-helixtrans-61.2-42.6178.1-168.20000111.7L172 S212 D213 A214 D219 M220L172-C216 HydrophobicContact CD1-CB 3.96Å; S212-C216 PolarHBondContact O-N 3.48Å; D213-C216 WeakPolarHBondContact O-CB 3.33Å; D213-C216 PolarHBondContact O-N 3.01Å; D213-C216 VanDerWaalsContact O-N 3.16Å; A214-C216 VanDerWaalsContact C-N 3.32Å; A214-C216 PolarHBondContact O-N 3.4Å; C216-D219 PolarHBondContact O-N 3.37Å; C216-M220 HydrophobicContact CB-CE 4.44Å; C216-M220 WeakPolarHBondContact O-CG 3.26Å; C216-M220 PolarHBondContact O-N 2.89Å; C216-M220 WeakPolarHBondContact SG-CE 3.38Å
217V98.4Very high97.5Very high0 Ų042.1 Ų42.10%023%0.234CC..Hα-helixtrans-67.4-37.4176.1177.50000111.9L153 L155 L172 C175 L179 V192 D213 A214 R215 D219 M220 G221L153-V217 HydrophobicContact CD1-CG1 4.36Å; L155-V217 HydrophobicContact CD1-CG2 4.21Å; L155-V217 HydrophobicContact CD2-CG2 4.07Å; L172-V217 HydrophobicContact CD1-CG2 3.61Å; C175-V217 HydrophobicContact CB-CG1 4.24Å; C175-V217 HydrophobicContact CB-CG2 3.71Å; L179-V217 HydrophobicContact CD1-CG1 4.34Å; V192-V217 HydrophobicContact CG2-CB 3.98Å; V192-V217 HydrophobicContact CG2-CG1 3.6Å; D213-V217 WeakPolarHBondContact O-CG2 3.5Å; D213-V217 PolarHBondContact O-N 2.86Å; A214-V217 PolarHBondContact O-N 3.38Å; R215-V217 VanDerWaalsContact C-N 3.34Å; R215-V217 PolarHBondContact O-N 2.78Å; V217-D219 VanDerWaalsContact C-N 3.34Å; V217-M220 PolarHBondContact O-N 3.42Å; V217-G221 PolarHBondContact O-N 3.11Å
218F98.5Very high97.6Very high2 Ų242.6 Ų42.61%0.00924%0.236CC..Hα-helixtrans-59.7-44.8171.9-93.1-114.8000111.5V192 A214 R215 G221 L222 M228 I230 L231 F259 V265V192-F218 HydrophobicContact CB-CD2 4.26Å; V192-F218 HydrophobicContact CB-CE2 3.87Å; V192-F218 HydrophobicContact CG2-CD2 3.68Å; V192-F218 HydrophobicContact CG2-CE2 3.72Å; A214-F218 VanDerWaalsContact O-CD2 3.25Å; A214-F218 WeakPolarHBondContact O-CD2 3.38Å; A214-F218 PolarHBondContact O-N 2.89Å; R215-F218 VanDerWaalsContact NH2-CB 3.33Å; R215-F218 WeakPolarHBondContact O-CB 2.86Å; R215-F218 PolarHBondContact O-N 2.78Å; F218-G221 PolarHBondContact O-N 2.98Å; F218-L222 VanDerWaalsContact O-CG 3.29Å; F218-L222 WeakPolarHBondContact O-CG 3.22Å; F218-L222 PolarHBondContact O-N 2.9Å; F218-M228 HydrophobicContact CD1-CB 3.36Å; F218-M228 HydrophobicContact CD1-CG 4.31Å; F218-M228 HydrophobicContact CD2-CE 4.02Å; F218-M228 HydrophobicContact CE1-CB 3.65Å; F218-M228 HydrophobicContact CE2-CE 4.39Å; F218-M228 HydrophobicContact CG-CB 4Å; F218-M228 HydrophobicContact CG-CE 4.14Å; F218-I230 VanDerWaalsContact CZ-O 3.26Å; F218-I230 WeakPolarHBondContact CZ-O 3.26Å; F218-L231 HydrophobicContact CE2-CB 4.37Å; F218-L231 HydrophobicContact CE2-CD1 4.24Å; F218-L231 HydrophobicContact CZ-CB 4.11Å; F218-F259 HydrophobicContact CB-CE1 4.38Å; F218-F259 HydrophobicContact CD1-CD1 4.5Å; F218-F259 AromaticContact CD1-CE1 3.83Å; F218-F259 HydrophobicContact CD1-CE1 3.83Å; F218-F259 AromaticContact CD2-CE1 3.79Å; F218-F259 HydrophobicContact CD2-CE1 3.79Å; F218-F259 HydrophobicContact CD2-CZ 4.13Å; F218-F259 HydrophobicContact CE1-CD1 4.38Å; F218-F259 AromaticContact CE1-CE1 3.94Å; F218-F259 HydrophobicContact CE1-CE1 3.94Å; F218-F259 AromaticContact CE2-CE1 3.86Å; F218-F259 HydrophobicContact CE2-CE1 3.86Å; F218-F259 HydrophobicContact CE2-CZ 4.27Å; F218-F259 AromaticContact CG-CE1 3.76Å; F218-F259 HydrophobicContact CG-CE1 3.76Å; F218-F259 HydrophobicContact CG-CZ 4.42Å; F218-F259 AromaticContact CZ-CE1 3.92Å; F218-F259 HydrophobicContact CZ-CE1 3.92Å; F218-V265 HydrophobicContact CD1-CG2 4.43Å; F218-V265 HydrophobicContact CE1-CG1 3.93Å; F218-V265 HydrophobicContact CE1-CG2 3.79Å; F218-V265 HydrophobicContact CZ-CG1 4.02Å
219D98.3Very high97.6Very high72 Ų7244.1 Ų44.139%0.38524%0.24SC..Hα-helixtrans-62-45.8178.2-63.2-22.5000111.2R215 C216 V217 G221 L222 D223R215-D219 IonicContact CZ-OD1 3.19Å; R215-D219 IonicContact NE-OD1 3.71Å; R215-D219 PolarHBondContact NE-OD1 3.09Å; R215-D219 IonicContact NE-OD2 3.19Å; R215-D219 IonicContact NH2-OD1 2.66Å; R215-D219 PolarHBondContact NH2-OD1 3.29Å; R215-D219 VanDerWaalsContact O-CG 3.26Å; R215-D219 PolarHBondContact O-N 3.36Å; C216-D219 PolarHBondContact O-N 3.37Å; V217-D219 VanDerWaalsContact C-N 3.34Å; D219-G221 VanDerWaalsContact C-N 3.29Å; D219-G221 PolarHBondContact O-N 2.97Å; D219-L222 PolarHBondContact O-N 3.33Å; D219-D223 WeakPolarHBondContact O-CB 3.45Å; D219-D223 PolarHBondContact O-N 3.04Å
220M98.4Very high97.8Very high29 Ų2939.4 Ų39.414%0.14322%0.223CC..Hα-helixtrans-58.4-40.9173.6-65.2-179.4-145.400112.3L172 R176 L179 C216 V217 D223 L224L172-M220 HydrophobicContact CD1-CE 3.85Å; L172-M220 HydrophobicContact CG-CE 4.46Å; R176-M220 HydrophobicContact CB-SD 3.75Å; R176-M220 HydrophobicContact CG-SD 4.43Å; L179-M220 HydrophobicContact CD1-CB 3.72Å; C216-M220 HydrophobicContact CB-CE 4.44Å; C216-M220 WeakPolarHBondContact O-CG 3.26Å; C216-M220 PolarHBondContact O-N 2.89Å; C216-M220 WeakPolarHBondContact SG-CE 3.38Å; V217-M220 PolarHBondContact O-N 3.42Å; M220-D223 PolarHBondContact O-N 3.21Å; M220-L224 WeakPolarHBondContact O-CG 3.4Å; M220-L224 PolarHBondContact O-N 3.13Å
221G98.2Very high98Very high0 Ų039.1 Ų39.10%022%0.22CC..Hα-helixtrans-64.1-46.417800000112V217 F218 D219 D223 L224 G225 F226V217-G221 PolarHBondContact O-N 3.11Å; F218-G221 PolarHBondContact O-N 2.98Å; D219-G221 VanDerWaalsContact C-N 3.29Å; D219-G221 PolarHBondContact O-N 2.97Å; G221-D223 PolarHBondContact O-N 3.13Å; G221-L224 CarbonylContact O-C 3.56Å; G221-L224 PolarHBondContact O-N 3.34Å; G221-G225 PolarHBondContact O-N 2.87Å; G221-F226 WeakPolarHBondContact O-CB 3.26Å; G221-F226 WeakPolarHBondContact O-CD2 3.28Å; G221-F226 PolarHBondContact O-N 2.91Å
222L97.6Very high98Very high84 Ų8439.1 Ų39.144%0.4422%0.22SC..Hα-helixtrans-61.9-42.3177-68.8170.4000111.6F218 D219 L224 G225 M228F218-L222 VanDerWaalsContact O-CG 3.29Å; F218-L222 WeakPolarHBondContact O-CG 3.22Å; F218-L222 PolarHBondContact O-N 2.9Å; D219-L222 PolarHBondContact O-N 3.33Å; L222-L224 PolarHBondContact O-N 3.41Å; L222-G225 WeakPolarHBondContact O-CA 3.32Å; L222-G225 PolarHBondContact O-N 2.78Å; L222-M228 HydrophobicContact CD2-CB 4.4Å; L222-M228 HydrophobicContact CD2-CG 4.48Å; L222-M228 HydrophobicContact CG-CG 4.35Å
223D98.1Very high98Very high130 Ų13037 Ų3770%0.69521%0.206SC*.Hα-helixtrans-59.8-34.4176.4-76-11.4000112.6D219 M220 G221 G225D219-D223 WeakPolarHBondContact O-CB 3.45Å; D219-D223 PolarHBondContact O-N 3.04Å; M220-D223 PolarHBondContact O-N 3.21Å; G221-D223 PolarHBondContact O-N 3.13Å; D223-G225 VanDerWaalsContact C-N 3.25Å; D223-G225 PolarHBondContact O-N 2.94Å
224L97.9Very high97.8Very high44 Ų4434.7 Ų34.723%0.2319%0.194CC..THydrogen-bonded Turntrans-84.62.7175.8-66.8168.7000113.1L179 E180 K183 M220 G221 L222 F226L179-L224 HydrophobicContact CB-CD1 3.48Å; L179-L224 VanDerWaalsContact CB-CD1 3.48Å; L179-L224 HydrophobicContact CD1-CD1 4.4Å; E180-L224 HydrophobicContact CG-CD1 3.97Å; E180-L224 HydrophobicContact CG-CD2 4.06Å; K183-L224 PolarHBondContact NZ-O 2.94Å; M220-L224 WeakPolarHBondContact O-CG 3.4Å; M220-L224 PolarHBondContact O-N 3.13Å; G221-L224 CarbonylContact O-C 3.56Å; G221-L224 PolarHBondContact O-N 3.34Å; L222-L224 PolarHBondContact O-N 3.41Å; L224-F226 HydrophobicContact CB-CD2 3.89Å; L224-F226 HydrophobicContact CB-CE2 3.94Å; L224-F226 HydrophobicContact CD1-CE2 4.4Å
225G97.6Very high97.2Very high54 Ų5435.4 Ų35.456%0.55720%0.201SC*.THydrogen-bonded Turntrans74.428.9178.700000114G221 L222 D223G221-G225 PolarHBondContact O-N 2.87Å; L222-G225 WeakPolarHBondContact O-CA 3.32Å; L222-G225 PolarHBondContact O-N 2.78Å; D223-G225 VanDerWaalsContact C-N 3.25Å; D223-G225 PolarHBondContact O-N 2.94Å
226F98.3Very high96.6Very high18 Ų1833.6 Ų33.68%0.07920%0.195CC..  trans-80.1153.9165-68-74.2000110.8L179 A182 K183 V189 G221 L224 M228L179-F226 HydrophobicContact CB-CE2 3.99Å; L179-F226 HydrophobicContact CD2-CD2 3.94Å; L179-F226 HydrophobicContact CD2-CE2 3.9Å; L179-F226 WeakPolarHBondContact O-CE2 3.16Å; L179-F226 VanDerWaalsContact O-CZ 3.3Å; L179-F226 WeakPolarHBondContact O-CZ 3.47Å; A182-F226 HydrophobicContact CB-CZ 4.19Å; K183-F226 HydrophobicContact CB-CE2 4.34Å; K183-F226 HydrophobicContact CB-CZ 3.84Å; K183-F226 HydrophobicContact CD-CE1 4.25Å; K183-F226 HydrophobicContact CD-CE2 4.38Å; K183-F226 HydrophobicContact CD-CZ 3.94Å; V189-F226 HydrophobicContact CB-CD1 3.97Å; V189-F226 HydrophobicContact CB-CE1 4.11Å; V189-F226 HydrophobicContact CB-CG 4.28Å; V189-F226 HydrophobicContact CG2-CD1 4.48Å; V189-F226 HydrophobicContact CG2-CE1 4.12Å; V189-F226 HydrophobicContact CG2-CZ 4.29Å; G221-F226 WeakPolarHBondContact O-CB 3.26Å; G221-F226 WeakPolarHBondContact O-CD2 3.28Å; G221-F226 PolarHBondContact O-N 2.91Å; L224-F226 HydrophobicContact CB-CD2 3.89Å; L224-F226 HydrophobicContact CB-CE2 3.94Å; L224-F226 HydrophobicContact CD1-CE2 4.4Å; F226-M228 HydrophobicContact CB-CG 4.34Å; F226-M228 HydrophobicContact CB-SD 4.09Å
227N96.5Very high96.3Very high99 Ų9931.5 Ų31.553%0.52918%0.181SC..  trans-99.489.3174.4-177.121.6000109Q229N227-Q229 PolarHBondContact ND2-NE2 2.96Å; N227-Q229 PolarHBondContact O-N 2.97Å; N227-Q229 WeakPolarHBondContact OD1-CG 3.22Å; N227-Q229 PolarHBondContact OD1-NE2 3.42Å
228M98.1Very high95.6Very high10 Ų1034.3 Ų34.35%0.04920%0.198CC..  trans-83.9109.5-176.1-57.7-65.5-76.300110.3V189 V190 V192 F218 L222 F226V189-M228 HydrophobicContact CG1-CE 4.33Å; V189-M228 HydrophobicContact CG1-SD 4.06Å; V190-M228 CarbonylContact O-C 3.49Å; V192-M228 HydrophobicContact CG2-CE 3.94Å; F218-M228 HydrophobicContact CD1-CB 3.36Å; F218-M228 HydrophobicContact CD1-CG 4.31Å; F218-M228 HydrophobicContact CD2-CE 4.02Å; F218-M228 HydrophobicContact CE1-CB 3.65Å; F218-M228 HydrophobicContact CE2-CE 4.39Å; F218-M228 HydrophobicContact CG-CB 4Å; F218-M228 HydrophobicContact CG-CE 4.14Å; L222-M228 HydrophobicContact CD2-CB 4.4Å; L222-M228 HydrophobicContact CD2-CG 4.48Å; L222-M228 HydrophobicContact CG-CG 4.35Å; F226-M228 HydrophobicContact CB-CG 4.34Å; F226-M228 HydrophobicContact CB-SD 4.09Å
229Q97.5Very high95Very high80 Ų8035 Ų3537%0.37421%0.205SC..  trans-126.3-18.6-169-62.1-173.1-4200114.3V190 N227 V265 Q266V190-Q229 PolarHBondContact O-N 3.31Å; N227-Q229 PolarHBondContact ND2-NE2 2.96Å; N227-Q229 PolarHBondContact O-N 2.97Å; N227-Q229 WeakPolarHBondContact OD1-CG 3.22Å; N227-Q229 PolarHBondContact OD1-NE2 3.42Å; Q229-V265 CarbonylContact O-C 3.3Å; Q229-V265 WeakPolarHBondContact O-CA 3.44Å; Q229-Q266 PolarHBondContact O-N 3.04Å
230I98.5Very high94.7Very high11 Ų1134 Ų346%0.05621%0.205CC..EExtended strand (participates in β ladder)trans-124127.3-171.5-58.6176000110.9L152 V190 G191 V192 F218 Q266 L268L152-I230 HydrophobicContact CD1-CG2 4.49Å; L152-I230 HydrophobicContact CD2-CB 3.7Å; L152-I230 HydrophobicContact CD2-CG2 3.57Å; V190-I230 HydrophobicContact CG2-CD1 4.21Å; V190-I230 PolarHBondContact O-N 3.49Å; G191-I230 CarbonylContact C-O 3.52Å; G191-I230 WeakPolarHBondContact CA-O 3.47Å; V192-I230 PolarHBondContact N-O 2.69Å; F218-I230 VanDerWaalsContact CZ-O 3.26Å; F218-I230 WeakPolarHBondContact CZ-O 3.26Å; I230-Q266 WeakPolarHBondContact CA-O 3.37Å; I230-L268 HydrophobicContact CG2-CD1 3.49Å; I230-L268 VanDerWaalsContact CG2-CD1 3.49Å; I230-L268 HydrophobicContact CG2-CG 3.88Å
231L98.6Very high94.5Very high0 Ų037.4 Ų37.40%022%0.22CC..EExtended strand (participates in β ladder)trans-117.3119170.2175.366.9000108.9V192 F194 L211 A214 F218 I233 L255 F259 V265 Q266 V267 L268V192-L231 WeakPolarHBondContact O-CA 3.45Å; F194-L231 HydrophobicContact CE1-CD1 4.1Å; L211-L231 HydrophobicContact CD2-CD2 3.68Å; A214-L231 HydrophobicContact CB-CD1 3.75Å; F218-L231 HydrophobicContact CE2-CB 4.37Å; F218-L231 HydrophobicContact CE2-CD1 4.24Å; F218-L231 HydrophobicContact CZ-CB 4.11Å; L231-I233 HydrophobicContact CD2-CG2 4.4Å; L231-I233 HydrophobicContact CG-CG2 4.27Å; L231-L255 HydrophobicContact CD2-CD2 3.85Å; L231-F259 HydrophobicContact CD1-CZ 4.32Å; L231-F259 HydrophobicContact CD2-CD1 4.3Å; L231-F259 HydrophobicContact CD2-CD2 3.52Å; L231-F259 HydrophobicContact CD2-CE1 4.34Å; L231-F259 HydrophobicContact CD2-CE2 3.57Å; L231-F259 HydrophobicContact CD2-CG 3.9Å; L231-F259 HydrophobicContact CD2-CZ 3.98Å; L231-V265 HydrophobicContact CB-CG1 4Å; L231-Q266 PolarHBondContact N-O 3.36Å; L231-V267 HydrophobicContact CD2-CG1 4.43Å; L231-V267 HydrophobicContact CD2-CG2 4.46Å; L231-V267 CarbonylContact O-C 3.43Å; L231-V267 WeakPolarHBondContact O-CA 3.29Å; L231-L268 PolarHBondContact O-N 3.39Å
232D98.3Very high94.3Very high0 Ų043.9 Ų43.90%025%0.249CC..EExtended strand (participates in β ladder)trans-106.6117.7175.5-173.6-19.4000110.4V192 A193 F194 G234 L268 Q270V192-D232 PolarHBondContact O-N 3.38Å; A193-D232 CarbonylContact C-O 3.51Å; A193-D232 VanDerWaalsContact CA-O 3.3Å; A193-D232 WeakPolarHBondContact CA-O 3.36Å; A193-D232 HydrophobicContact CB-CB 3.84Å; F194-D232 PolarHBondContact N-O 3.26Å; D232-G234 VanDerWaalsContact C-N 3.32Å; D232-G234 PolarHBondContact OD1-N 3.19Å; D232-L268 WeakPolarHBondContact CA-O 3.21Å; D232-L268 HydrophobicContact CB-CB 4.25Å; D232-Q270 PolarHBondContact OD2-NE2 3.46Å
233I96.9Very high94.1Very high3 Ų340.6 Ų40.62%0.01523%0.231CC..  trans-89.74.7-176.569.7169.2000113.6V62 F194 Y207 L211 L231 F237 V251 V267 L268 A269V62-I233 HydrophobicContact CG1-CD1 4.27Å; F194-I233 HydrophobicContact CE1-CG2 4.18Å; F194-I233 HydrophobicContact CE2-CB 4.06Å; F194-I233 HydrophobicContact CE2-CG2 4.49Å; F194-I233 HydrophobicContact CZ-CB 3.8Å; F194-I233 HydrophobicContact CZ-CG2 3.74Å; F194-I233 CarbonylContact O-C 3.59Å; F194-I233 VanDerWaalsContact O-C 3.3Å; Y207-I233 HydrophobicContact CE1-CB 4.43Å; L211-I233 HydrophobicContact CD2-CG2 4.4Å; L231-I233 HydrophobicContact CD2-CG2 4.4Å; L231-I233 HydrophobicContact CG-CG2 4.27Å; I233-F237 HydrophobicContact CD1-CZ 4.21Å; I233-V251 HydrophobicContact CD1-CG1 4.34Å; I233-V267 HydrophobicContact CG2-CG1 4.02Å; I233-L268 WeakPolarHBondContact CG1-O 3.29Å; I233-L268 PolarHBondContact N-O 3.44Å; I233-A269 HydrophobicContact CD1-CB 4.2Å; I233-A269 HydrophobicContact CG1-CB 3.79Å
234G92.7Very high94Very high2 Ų234.4 Ų34.42%0.02120%0.198CC..  trans78.3-160.7175.900000113.3F194 D232 F237 Q270F194-G234 WeakPolarHBondContact O-CA 3.1Å; F194-G234 PolarHBondContact O-N 2.77Å; F194-G234 VanDerWaalsContact O-N 3.11Å; D232-G234 VanDerWaalsContact C-N 3.32Å; D232-G234 PolarHBondContact OD1-N 3.19Å; G234-F237 WeakPolarHBondContact O-CE2 3.46Å; G234-Q270 PolarHBondContact O-N 2.78Å
235G87.1Confident93.9Very high15 Ų1537.4 Ų37.416%0.15521%0.209CC..  trans-129.214.6-157.500000117.1H195 F237 Q270H195-G235 PolarHBondContact ND1-N 3.31Å; G235-F237 PolarHBondContact O-N 3.09Å; G235-Q270 WeakPolarHBondContact CA-O 3.41Å
236G85.4Confident93.8Very high4 Ų439 Ų394%0.04120%0.202CC..  trans-68.850.7-17700000115.4I196 Q243I196-G236 VanDerWaalsContact O-CA 3.22Å; I196-G236 WeakPolarHBondContact O-CA 3.28Å; G236-Q243 PolarHBondContact O-NE2 2.7Å
237F90.6Very high93.6Very high5 Ų538.4 Ų38.42%0.02220%0.199CC..  trans-112.4123.3-178.7-55.5-84000110W55 I233 G234 G235 L244 V247 A269 P271 F274W55-F237 HydrophobicContact CH2-CD1 4.23Å; W55-F237 HydrophobicContact CH2-CD2 4.2Å; W55-F237 AromaticContact CH2-CE1 3.85Å; W55-F237 HydrophobicContact CH2-CE1 3.85Å; W55-F237 AromaticContact CH2-CE2 3.85Å; W55-F237 HydrophobicContact CH2-CE2 3.85Å; W55-F237 HydrophobicContact CH2-CG 4.39Å; W55-F237 AromaticContact CH2-CZ 3.66Å; W55-F237 HydrophobicContact CH2-CZ 3.66Å; W55-F237 AromaticContact CZ3-CD1 3.86Å; W55-F237 HydrophobicContact CZ3-CD1 3.86Å; W55-F237 HydrophobicContact CZ3-CD2 4.2Å; W55-F237 AromaticContact CZ3-CE1 3.91Å; W55-F237 HydrophobicContact CZ3-CE1 3.91Å; W55-F237 HydrophobicContact CZ3-CE2 4.29Å; W55-F237 HydrophobicContact CZ3-CG 4Å; W55-F237 HydrophobicContact CZ3-CZ 4.15Å; I233-F237 HydrophobicContact CD1-CZ 4.21Å; G234-F237 WeakPolarHBondContact O-CE2 3.46Å; G235-F237 PolarHBondContact O-N 3.09Å; F237-L244 HydrophobicContact CD1-CD1 3.94Å; F237-L244 HydrophobicContact CE1-CD1 3.95Å; F237-V247 HydrophobicContact CE1-CB 4.26Å; F237-V247 HydrophobicContact CE1-CG1 3.72Å; F237-V247 HydrophobicContact CE1-CG2 4.46Å; F237-V247 HydrophobicContact CZ-CG1 4.3Å; F237-A269 HydrophobicContact CE2-CB 3.85Å; F237-A269 HydrophobicContact CZ-CB 4.08Å; F237-P271 HydrophobicContact CD2-CB 4.12Å; F237-P271 HydrophobicContact CG-CB 4.49Å; F237-F274 HydrophobicContact CB-CB 3.72Å; F237-F274 HydrophobicContact CB-CD2 4.36Å; F237-F274 HydrophobicContact CB-CG 4.32Å; F237-F274 PolarHBondContact O-N 2.94Å
238T85.5Confident93.6Very high58 Ų5835 Ų3536%0.35618%0.18SC..  trans-81.9-21-172.156.90000114.2S240 Q243T238-S240 WeakPolarHBondContact OG1-CB 3.41Å; T238-S240 PolarHBondContact OG1-N 2.95Å; T238-Q243 HydrophobicContact CG2-CG 4.21Å; T238-Q243 WeakPolarHBondContact OG1-CB 3.37Å; T238-Q243 PolarHBondContact OG1-OE1 2.77Å
239G85.9Confident93.5Very high16 Ų1637.9 Ų37.917%0.16520%0.202CC..SBendtrans98.2-9.1-167.300000114.2Q51Q51-G239 PolarHBondContact NE2-O 3.3Å; Q51-G239 VanDerWaalsContact NE2-O 3.14Å
240S91.1Very high93.4Very high53 Ų5334.2 Ų34.237%0.37119%0.185SC..  trans-79.5126.4172.9179.50000111.4T238 F242 Q243 L244T238-S240 WeakPolarHBondContact OG1-CB 3.41Å; T238-S240 PolarHBondContact OG1-N 2.95Å; S240-F242 PolarHBondContact O-N 3.46Å; S240-F242 PolarHBondContact OG-N 3.05Å; S240-Q243 PolarHBondContact O-N 2.78Å; S240-L244 PolarHBondContact O-N 3.42Å
241E93.7Very high93.3Very high99 Ų9933.9 Ų33.946%0.46318%0.184SC..Hα-helixtrans-56.2-38.5170.6-175.6-174.4160.800111.5M58 Q243 L244 K245M58-E241 HydrophobicContact CE-CB 4.46Å; M58-E241 HydrophobicContact CE-CG 3.6Å; M58-E241 HydrophobicContact SD-CG 3.89Å; E241-Q243 PolarHBondContact O-N 3.04Å; E241-L244 PolarHBondContact O-N 3.3Å; E241-K245 WeakPolarHBondContact O-CG 3.29Å; E241-K245 PolarHBondContact O-N 3.36Å; E241-K245 WeakPolarHBondContact OE1-CE 3.43Å; E241-K245 IonicContact OE1-NZ 3.45Å; E241-K245 PolarHBondContact OE1-NZ 3.44Å
242F94.3Very high93.2Very high137 Ų13739.6 Ų39.660%0.60121%0.205SC*.Hα-helixtrans-61.3-46.4177.9176.4-97.6000111.5S240 K245 Q246S240-F242 PolarHBondContact O-N 3.46Å; S240-F242 PolarHBondContact OG-N 3.05Å; F242-K245 WeakPolarHBondContact O-CB 3.35Å; F242-K245 PolarHBondContact O-N 3.37Å; F242-Q246 HydrophobicContact CE1-CG 4.14Å; F242-Q246 HydrophobicContact CZ-CG 4.29Å; F242-Q246 WeakPolarHBondContact O-CG 3.41Å; F242-Q246 PolarHBondContact O-N 2.74Å; F242-Q246 VanDerWaalsContact O-N 3.11Å
243Q93.8Very high93.1Very high15 Ų1543 Ų437%0.0723%0.228CC..Hα-helixtrans-67.1-37.8178.3-173.4-104.1-14.600111.6G236 T238 S240 E241 K245 Q246 V247G236-Q243 PolarHBondContact O-NE2 2.7Å; T238-Q243 HydrophobicContact CG2-CG 4.21Å; T238-Q243 WeakPolarHBondContact OG1-CB 3.37Å; T238-Q243 PolarHBondContact OG1-OE1 2.77Å; S240-Q243 PolarHBondContact O-N 2.78Å; E241-Q243 PolarHBondContact O-N 3.04Å; Q243-K245 VanDerWaalsContact C-N 3.34Å; Q243-K245 PolarHBondContact O-N 2.78Å; Q243-Q246 WeakPolarHBondContact O-CB 3.4Å; Q243-Q246 PolarHBondContact O-N 2.83Å; Q243-V247 WeakPolarHBondContact O-CG2 3.36Å; Q243-V247 PolarHBondContact O-N 2.83Å
244L95.6Very high93.1Very high0 Ų043.9 Ų43.90%023%0.232CC..Hα-helixtrans-61.4-40.9174-178.154.1000111.8W55 M58 V59 F237 S240 E241 Q246 V247 E248 F274W55-L244 HydrophobicContact CE3-CD1 4.24Å; W55-L244 HydrophobicContact CE3-CD2 4.09Å; W55-L244 HydrophobicContact CZ3-CD1 4Å; M58-L244 HydrophobicContact CB-CD2 4.38Å; M58-L244 HydrophobicContact CB-CG 4.47Å; M58-L244 HydrophobicContact CE-CB 4.26Å; M58-L244 HydrophobicContact CE-CD2 3.4Å; M58-L244 HydrophobicContact CE-CG 3.93Å; M58-L244 HydrophobicContact SD-CB 4.47Å; M58-L244 HydrophobicContact SD-CD2 4.26Å; M58-L244 HydrophobicContact SD-CG 4.18Å; V59-L244 HydrophobicContact CG1-CD1 4.13Å; V59-L244 HydrophobicContact CG2-CD1 4.21Å; F237-L244 HydrophobicContact CD1-CD1 3.94Å; F237-L244 HydrophobicContact CE1-CD1 3.95Å; S240-L244 PolarHBondContact O-N 3.42Å; E241-L244 PolarHBondContact O-N 3.3Å; L244-Q246 VanDerWaalsContact C-N 3.34Å; L244-Q246 PolarHBondContact O-N 3.24Å; L244-V247 PolarHBondContact O-N 3.42Å; L244-E248 WeakPolarHBondContact O-CB 3.37Å; L244-E248 PolarHBondContact O-N 3.26Å; L244-F274 HydrophobicContact CB-CE2 4.43Å; L244-F274 HydrophobicContact CD2-CD2 4.47Å; L244-F274 HydrophobicContact CD2-CE2 3.52Å; L244-F274 HydrophobicContact CD2-CZ 3.73Å
245K95.9Very high93.3Very high106 Ų10644 Ų4446%0.46123%0.232SC..Hα-helixtrans-61.3-39.6173.3-72.5176.2-177.1166.20112.7M58 E241 F242 Q243 E248 S249M58-K245 HydrophobicContact SD-CD 4.32Å; M58-K245 HydrophobicContact SD-CG 3.5Å; M58-K245 VanDerWaalsContact SD-CG 3.5Å; E241-K245 WeakPolarHBondContact O-CG 3.29Å; E241-K245 PolarHBondContact O-N 3.36Å; E241-K245 WeakPolarHBondContact OE1-CE 3.43Å; E241-K245 IonicContact OE1-NZ 3.45Å; E241-K245 PolarHBondContact OE1-NZ 3.44Å; F242-K245 WeakPolarHBondContact O-CB 3.35Å; F242-K245 PolarHBondContact O-N 3.37Å; Q243-K245 VanDerWaalsContact C-N 3.34Å; Q243-K245 PolarHBondContact O-N 2.78Å; K245-E248 PolarHBondContact O-N 3.31Å; K245-S249 WeakPolarHBondContact O-CB 3.27Å; K245-S249 PolarHBondContact O-N 2.99Å
246Q95.1Very high93.7Very high89 Ų8948.1 Ų48.142%0.41625%0.25SS..Hα-helixtrans-64.6-43.9176.3-68.7179.8-5300111.6L203 F242 Q243 L244 S249 A250L203-Q246 HydrophobicContact CD1-CB 4.16Å; F242-Q246 HydrophobicContact CE1-CG 4.14Å; F242-Q246 HydrophobicContact CZ-CG 4.29Å; F242-Q246 WeakPolarHBondContact O-CG 3.41Å; F242-Q246 PolarHBondContact O-N 2.74Å; F242-Q246 VanDerWaalsContact O-N 3.11Å; Q243-Q246 WeakPolarHBondContact O-CB 3.4Å; Q243-Q246 PolarHBondContact O-N 2.83Å; L244-Q246 VanDerWaalsContact C-N 3.34Å; L244-Q246 PolarHBondContact O-N 3.24Å; Q246-S249 PolarHBondContact O-N 2.76Å; Q246-A250 PolarHBondContact O-N 2.99Å; Q246-A250 VanDerWaalsContact O-N 3.12Å
247V95.1Very high94.3Very high4 Ų451.3 Ų51.32%0.02428%0.277CS..Hα-helixtrans-63.9-45.8176.1176.10000110.8L203 Y207 F237 Q243 L244 S249 A250 V251L203-V247 HydrophobicContact CD1-CG2 3.94Å; Y207-V247 HydrophobicContact CE2-CG1 3.89Å; Y207-V247 HydrophobicContact CE2-CG2 4.38Å; F237-V247 HydrophobicContact CE1-CB 4.26Å; F237-V247 HydrophobicContact CE1-CG1 3.72Å; F237-V247 HydrophobicContact CE1-CG2 4.46Å; F237-V247 HydrophobicContact CZ-CG1 4.3Å; Q243-V247 WeakPolarHBondContact O-CG2 3.36Å; Q243-V247 PolarHBondContact O-N 2.83Å; L244-V247 PolarHBondContact O-N 3.42Å; V247-S249 PolarHBondContact O-N 3.14Å; V247-A250 PolarHBondContact O-N 3.01Å; V247-A250 VanDerWaalsContact O-N 3.17Å; V247-V251 HydrophobicContact CG1-CG2 3.91Å; V247-V251 VanDerWaalsContact O-CB 3.29Å; V247-V251 WeakPolarHBondContact O-CB 3.41Å; V247-V251 VanDerWaalsContact O-CG2 3.27Å; V247-V251 WeakPolarHBondContact O-CG2 3.49Å; V247-V251 PolarHBondContact O-N 3.3Å
248E95.7Very high94.6Very high27 Ų2754.6 Ų54.613%0.12629%0.289CS..Hα-helixtrans-56.9-47.9176.9-170.2-81.3162.800111.7M58 V59 L244 K245 A250 V251 R252M58-E248 WeakPolarHBondContact O-CG 3.34Å; V59-E248 HydrophobicContact CG1-CB 3.86Å; V59-E248 HydrophobicContact CG1-CG 3.69Å; L244-E248 WeakPolarHBondContact O-CB 3.37Å; L244-E248 PolarHBondContact O-N 3.26Å; K245-E248 PolarHBondContact O-N 3.31Å; E248-A250 VanDerWaalsContact C-N 3.25Å; E248-A250 PolarHBondContact O-N 3.06Å; E248-V251 PolarHBondContact O-N 3.2Å; E248-R252 VanDerWaalsContact O-CB 3.3Å; E248-R252 WeakPolarHBondContact O-CB 3.14Å; E248-R252 PolarHBondContact O-N 3.26Å; E248-R252 WeakPolarHBondContact OE1-CD 3.46Å; E248-R252 IonicContact OE1-CZ 3.09Å; E248-R252 IonicContact OE1-NE 3.8Å; E248-R252 PolarHBondContact OE1-NE 2.99Å; E248-R252 IonicContact OE1-NH1 2.73Å; E248-R252 PolarHBondContact OE1-NH1 2.79Å; E248-R252 IonicContact OE1-NH2 3.99Å; E248-R252 IonicContact OE2-CZ 3.92Å; E248-R252 IonicContact OE2-NH1 3.87Å
249S95.9Very high95.1Very high71 Ų7152.2 Ų52.250%0.49727%0.274SS..Hα-helixtrans-62.2-33.7179.4-177.50000112.5K245 Q246 V247 P253K245-S249 WeakPolarHBondContact O-CB 3.27Å; K245-S249 PolarHBondContact O-N 2.99Å; Q246-S249 PolarHBondContact O-N 2.76Å; V247-S249 PolarHBondContact O-N 3.14Å; S249-P253 WeakPolarHBondContact O-CD 3.24Å
250A95.4Very high95.6Very high3 Ų352.7 Ų52.73%0.02528%0.275CS..Hα-helixtrans-77.2-41.1177.700000112.2Q204 Q246 V247 E248 L254Q204-A250 VanDerWaalsContact OE1-CA 3.28Å; Q246-A250 PolarHBondContact O-N 2.99Å; Q246-A250 VanDerWaalsContact O-N 3.12Å; V247-A250 PolarHBondContact O-N 3.01Å; V247-A250 VanDerWaalsContact O-N 3.17Å; E248-A250 VanDerWaalsContact C-N 3.25Å; E248-A250 PolarHBondContact O-N 3.06Å; A250-L254 VanDerWaalsContact O-CD1 3.23Å; A250-L254 WeakPolarHBondContact O-CD1 3.1Å; A250-L254 WeakPolarHBondContact O-CG 3.35Å
251V96.2Very high95.6Very high5 Ų558.3 Ų58.33%0.0330%0.295CS..Hα-helixtrans-85.3-41.9-170171.10000112.4Y207 L211 I233 V247 E248 L254 L255Y207-V251 HydrophobicContact CD1-CG2 3.46Å; Y207-V251 VanDerWaalsContact CD1-CG2 3.46Å; Y207-V251 HydrophobicContact CD2-CG2 3.84Å; Y207-V251 HydrophobicContact CE1-CG2 3.67Å; Y207-V251 HydrophobicContact CE2-CG2 4.05Å; Y207-V251 HydrophobicContact CG-CG2 3.55Å; L211-V251 HydrophobicContact CD1-CG1 4.34Å; I233-V251 HydrophobicContact CD1-CG1 4.34Å; V247-V251 HydrophobicContact CG1-CG2 3.91Å; V247-V251 VanDerWaalsContact O-CB 3.29Å; V247-V251 WeakPolarHBondContact O-CB 3.41Å; V247-V251 VanDerWaalsContact O-CG2 3.27Å; V247-V251 WeakPolarHBondContact O-CG2 3.49Å; V247-V251 PolarHBondContact O-N 3.3Å; E248-V251 PolarHBondContact O-N 3.2Å; V251-L254 WeakPolarHBondContact O-CB 3.38Å; V251-L254 PolarHBondContact O-N 2.7Å; V251-L254 VanDerWaalsContact O-N 3.08Å; V251-L255 HydrophobicContact CG1-CD1 3.52Å; V251-L255 HydrophobicContact CG1-CD2 4.32Å; V251-L255 HydrophobicContact CG1-CG 3.62Å; V251-L255 PolarHBondContact O-N 3.15Å
252R96Very high95.5Very high120 Ų12064.5 Ų64.545%0.45331%0.314SS..Hα-helixtrans-54.9-51.1-173.2176.5179.766.4-163.45.6113.2E248 L254 L255 D256E248-R252 VanDerWaalsContact O-CB 3.3Å; E248-R252 WeakPolarHBondContact O-CB 3.14Å; E248-R252 PolarHBondContact O-N 3.26Å; E248-R252 WeakPolarHBondContact OE1-CD 3.46Å; E248-R252 IonicContact OE1-CZ 3.09Å; E248-R252 IonicContact OE1-NE 3.8Å; E248-R252 PolarHBondContact OE1-NE 2.99Å; E248-R252 IonicContact OE1-NH1 2.73Å; E248-R252 PolarHBondContact OE1-NH1 2.79Å; E248-R252 IonicContact OE1-NH2 3.99Å; E248-R252 IonicContact OE2-CZ 3.92Å; E248-R252 IonicContact OE2-NH1 3.87Å; R252-L254 PolarHBondContact O-N 3.31Å; R252-L255 PolarHBondContact O-N 3.28Å; R252-D256 PolarHBondContact O-N 3.38Å
253P96.6Very high95.4Very high72 Ų7260.6 Ų60.647%0.46830%0.304SS..Hα-helixtrans-62-31.7-179.4-21.133.7000113S249 A257S249-P253 WeakPolarHBondContact O-CD 3.24Å; P253-A257 WeakPolarHBondContact O-CB 3.38Å; P253-A257 PolarHBondContact O-N 3.27Å
254L97.1Very high95.4Very high20 Ų2062.7 Ų62.711%0.10533%0.329CS..Hα-helixtrans-75.3-39.4179.2-60.9172.3000111.5T208 L211 A250 V251 R252 A257 Y258T208-L254 HydrophobicContact CG2-CD2 4.35Å; L211-L254 HydrophobicContact CB-CB 4.45Å; L211-L254 HydrophobicContact CD1-CB 3.48Å; L211-L254 VanDerWaalsContact CD1-CB 3.48Å; L211-L254 HydrophobicContact CD1-CD1 3.76Å; L211-L254 HydrophobicContact CD1-CG 4.29Å; A250-L254 VanDerWaalsContact O-CD1 3.23Å; A250-L254 WeakPolarHBondContact O-CD1 3.1Å; A250-L254 WeakPolarHBondContact O-CG 3.35Å; V251-L254 WeakPolarHBondContact O-CB 3.38Å; V251-L254 PolarHBondContact O-N 2.7Å; V251-L254 VanDerWaalsContact O-N 3.08Å; R252-L254 PolarHBondContact O-N 3.31Å; L254-A257 PolarHBondContact O-N 3.17Å; L254-Y258 HydrophobicContact CB-CD2 4.35Å; L254-Y258 HydrophobicContact CD2-CE2 4.12Å; L254-Y258 WeakPolarHBondContact O-CB 3.36Å; L254-Y258 VanDerWaalsContact O-CD2 3.32Å; L254-Y258 WeakPolarHBondContact O-CD2 3.35Å; L254-Y258 PolarHBondContact O-N 3.03Å
255L96.9Very high95.5Very high6 Ų663.7 Ų63.73%0.03134%0.335CS..Hα-helixtrans-62.8-44.7172.2-68.1-178.2000111V62 L211 L231 V251 R252 A257 Y258 F259 V267V62-L255 HydrophobicContact CG2-CD1 4.29Å; L211-L255 HydrophobicContact CD1-CD2 4.43Å; L211-L255 HydrophobicContact CD2-CD2 3.9Å; L231-L255 HydrophobicContact CD2-CD2 3.85Å; V251-L255 HydrophobicContact CG1-CD1 3.52Å; V251-L255 HydrophobicContact CG1-CD2 4.32Å; V251-L255 HydrophobicContact CG1-CG 3.62Å; V251-L255 PolarHBondContact O-N 3.15Å; R252-L255 PolarHBondContact O-N 3.28Å; L255-A257 PolarHBondContact O-N 3.19Å; L255-Y258 PolarHBondContact O-N 2.84Å; L255-F259 HydrophobicContact CD2-CD2 4.27Å; L255-F259 CarbonylContact O-C 2.95Å; L255-F259 VanDerWaalsContact O-CA 3.25Å; L255-F259 WeakPolarHBondContact O-CA 3.44Å; L255-F259 PolarHBondContact O-N 3.5Å; L255-V267 HydrophobicContact CD1-CG1 4.09Å; L255-V267 HydrophobicContact CD1-CG2 4.41Å; L255-V267 HydrophobicContact CD2-CG1 4.18Å; L255-V267 HydrophobicContact CD2-CG2 4.17Å
256D96Very high95.6Very high100 Ų10062.2 Ų62.254%0.53533%0.33SS..Hα-helixtrans-60.5-34.5177.4-70.7-24.8000112.3R252R252-D256 PolarHBondContact O-N 3.38Å
257A97.1Very high95.8Very high72 Ų7258.5 Ų58.560%0.59531%0.313SS*.Hα-helixtrans-77.4-47.4178.700000113.2P253 L254 L255P253-A257 WeakPolarHBondContact O-CB 3.38Å; P253-A257 PolarHBondContact O-N 3.27Å; L254-A257 PolarHBondContact O-N 3.17Å; L255-A257 PolarHBondContact O-N 3.19Å
258Y97.6Very high95.9Very high73 Ų7358.3 Ų58.329%0.28631%0.312SS..Hα-helixtrans-98.6-27.9-169.8-64-50.1000114.4L211 R215 L254 L255L211-Y258 HydrophobicContact CB-CD2 4.12Å; R215-Y258 HydrophobicContact CB-CD1 4.11Å; R215-Y258 HydrophobicContact CB-CG 4.19Å; R215-Y258 WeakPolarHBondContact CD-O 3.39Å; R215-Y258 HydrophobicContact CG-CD1 3.86Å; R215-Y258 HydrophobicContact CG-CG 4.29Å; R215-Y258 PolarHBondContact NH1-O 3.33Å; L254-Y258 HydrophobicContact CB-CD2 4.35Å; L254-Y258 HydrophobicContact CD2-CE2 4.12Å; L254-Y258 WeakPolarHBondContact O-CB 3.36Å; L254-Y258 VanDerWaalsContact O-CD2 3.32Å; L254-Y258 WeakPolarHBondContact O-CD2 3.35Å; L254-Y258 PolarHBondContact O-N 3.03Å; L255-Y258 PolarHBondContact O-N 2.84Å
259F96.9Very high96Very high8 Ų857 Ų574%0.03531%0.306CS..SBendtrans-139.455.2-174.3-56.9-80.1000111.3L211 A214 R215 F218 L231 L255 V265L211-F259 HydrophobicContact CD2-CD2 4.43Å; L211-F259 HydrophobicContact CD2-CE2 4.17Å; A214-F259 HydrophobicContact CB-CZ 4.14Å; R215-F259 HydrophobicContact CB-CE2 4.33Å; R215-F259 HydrophobicContact CB-CZ 4.06Å; F218-F259 HydrophobicContact CB-CE1 4.38Å; F218-F259 HydrophobicContact CD1-CD1 4.5Å; F218-F259 AromaticContact CD1-CE1 3.83Å; F218-F259 HydrophobicContact CD1-CE1 3.83Å; F218-F259 AromaticContact CD2-CE1 3.79Å; F218-F259 HydrophobicContact CD2-CE1 3.79Å; F218-F259 HydrophobicContact CD2-CZ 4.13Å; F218-F259 HydrophobicContact CE1-CD1 4.38Å; F218-F259 AromaticContact CE1-CE1 3.94Å; F218-F259 HydrophobicContact CE1-CE1 3.94Å; F218-F259 AromaticContact CE2-CE1 3.86Å; F218-F259 HydrophobicContact CE2-CE1 3.86Å; F218-F259 HydrophobicContact CE2-CZ 4.27Å; F218-F259 AromaticContact CG-CE1 3.76Å; F218-F259 HydrophobicContact CG-CE1 3.76Å; F218-F259 HydrophobicContact CG-CZ 4.42Å; F218-F259 AromaticContact CZ-CE1 3.92Å; F218-F259 HydrophobicContact CZ-CE1 3.92Å; L231-F259 HydrophobicContact CD1-CZ 4.32Å; L231-F259 HydrophobicContact CD2-CD1 4.3Å; L231-F259 HydrophobicContact CD2-CD2 3.52Å; L231-F259 HydrophobicContact CD2-CE1 4.34Å; L231-F259 HydrophobicContact CD2-CE2 3.57Å; L231-F259 HydrophobicContact CD2-CG 3.9Å; L231-F259 HydrophobicContact CD2-CZ 3.98Å; L255-F259 HydrophobicContact CD2-CD2 4.27Å; L255-F259 CarbonylContact O-C 2.95Å; L255-F259 VanDerWaalsContact O-CA 3.25Å; L255-F259 WeakPolarHBondContact O-CA 3.44Å; L255-F259 PolarHBondContact O-N 3.5Å; F259-V265 HydrophobicContact CD1-CB 4.4Å; F259-V265 HydrophobicContact CD1-CG1 4.04Å; F259-V265 HydrophobicContact CD1-CG2 4.31Å
260P94.9Very high96Very high27 Ų2755 Ų5518%0.17529%0.289CS..  trans-62.8147.6-177.127.9-36000110.6R262 S263P260-R262 HydrophobicContact CB-CG 4.12Å; P260-R262 HydrophobicContact CG-CG 4.01Å; P260-R262 PolarHBondContact O-N 3.38Å; P260-S263 WeakPolarHBondContact O-CB 3.22Å; P260-S263 PolarHBondContact O-N 2.69Å; P260-S263 PolarHBondContact O-OG 3.45Å
261Q90.7Very high96Very high170 Ų17054.9 Ų54.979%0.79429%0.288SS*.G310 helixtrans-46.8-35.1-176.2-67.8-178.8-8.300114.9S263 G264Q261-S263 PolarHBondContact O-N 3.28Å; Q261-S263 VanDerWaalsContact O-N 3.17Å; Q261-G264 PolarHBondContact O-N 3.39Å; Q261-G264 VanDerWaalsContact O-N 3.1Å
262R92.4Very high95.7Very high230 Ų23054.8 Ų54.887%0.86829%0.288SS*.G310 helixtrans-61.7-17.3176.166.9-176.5174.8-147.4-3.9115P260 G264P260-R262 HydrophobicContact CB-CG 4.12Å; P260-R262 HydrophobicContact CG-CG 4.01Å; P260-R262 PolarHBondContact O-N 3.38Å; R262-G264 PolarHBondContact O-N 2.73Å
263S92.6Very high95.4Very high55 Ų5551.5 Ų51.539%0.38528%0.283SS..G310 helixtrans-74.3-15.5175.771.50000112.4P260 Q261 V265P260-S263 WeakPolarHBondContact O-CB 3.22Å; P260-S263 PolarHBondContact O-N 2.69Å; P260-S263 PolarHBondContact O-OG 3.45Å; Q261-S263 PolarHBondContact O-N 3.28Å; Q261-S263 VanDerWaalsContact O-N 3.17Å; S263-V265 PolarHBondContact O-N 3.15Å; S263-V265 WeakPolarHBondContact OG-CG2 3.33Å; S263-V265 PolarHBondContact OG-N 3.13Å
264G94.4Very high95.3Very high59 Ų5948.1 Ų48.161%0.60826%0.261SS*.  trans6916.1-176.700000114Q261 R262Q261-G264 PolarHBondContact O-N 3.39Å; Q261-G264 VanDerWaalsContact O-N 3.1Å; R262-G264 PolarHBondContact O-N 2.73Å
265V97.9Very high95.2Very high21 Ų2147.1 Ų47.113%0.12726%0.256CS..PPolyproline II helixtrans-79.6125.2176.1174.90000109F218 Q229 L231 F259 S263F218-V265 HydrophobicContact CD1-CG2 4.43Å; F218-V265 HydrophobicContact CE1-CG1 3.93Å; F218-V265 HydrophobicContact CE1-CG2 3.79Å; F218-V265 HydrophobicContact CZ-CG1 4.02Å; Q229-V265 CarbonylContact O-C 3.3Å; Q229-V265 WeakPolarHBondContact O-CA 3.44Å; L231-V265 HydrophobicContact CB-CG1 4Å; F259-V265 HydrophobicContact CD1-CB 4.4Å; F259-V265 HydrophobicContact CD1-CG1 4.04Å; F259-V265 HydrophobicContact CD1-CG2 4.31Å; S263-V265 PolarHBondContact O-N 3.15Å; S263-V265 WeakPolarHBondContact OG-CG2 3.33Å; S263-V265 PolarHBondContact OG-N 3.13Å
266Q97.9Very high95Very high74 Ų7446.9 Ų46.935%0.34625%0.254SS..EExtended strand (participates in β ladder)trans-82.1123.2173.1-171.3-177.45.100109Q229 I230 L231 L268Q229-Q266 PolarHBondContact O-N 3.04Å; I230-Q266 WeakPolarHBondContact CA-O 3.37Å; L231-Q266 PolarHBondContact N-O 3.36Å; Q266-L268 HydrophobicContact CG-CD2 3.78Å
267V98.2Very high94.6Very high11 Ų1142.8 Ų42.87%0.06724%0.235CC..EExtended strand (participates in β ladder)trans-98.9123.8177.3-171.20000108.9V62 Q63 L231 I233 L255V62-V267 WeakPolarHBondContact CA-O 3.35Å; V62-V267 HydrophobicContact CG1-CG1 4.25Å; V62-V267 HydrophobicContact CG2-CG1 4.12Å; Q63-V267 PolarHBondContact N-O 3.32Å; L231-V267 HydrophobicContact CD2-CG1 4.43Å; L231-V267 HydrophobicContact CD2-CG2 4.46Å; L231-V267 CarbonylContact O-C 3.43Å; L231-V267 WeakPolarHBondContact O-CA 3.29Å; I233-V267 HydrophobicContact CG2-CG1 4.02Å; L255-V267 HydrophobicContact CD1-CG1 4.09Å; L255-V267 HydrophobicContact CD1-CG2 4.41Å; L255-V267 HydrophobicContact CD2-CG1 4.18Å; L255-V267 HydrophobicContact CD2-CG2 4.17Å
268L98.4Very high94.4Very high1 Ų142 Ų421%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-112154.1-179.7-52.2-174000110Q63 Y65 I109 I230 L231 D232 I233 Q266Q63-L268 HydrophobicContact CB-CD2 3.83Å; Q63-L268 HydrophobicContact CG-CD2 4.46Å; Q63-L268 WeakPolarHBondContact O-CA 3.42Å; Y65-L268 HydrophobicContact CD2-CB 4.36Å; Y65-L268 HydrophobicContact CD2-CD1 4.12Å; Y65-L268 HydrophobicContact CD2-CD2 3.83Å; Y65-L268 HydrophobicContact CD2-CG 4.33Å; Y65-L268 HydrophobicContact CE2-CD1 3.89Å; Y65-L268 HydrophobicContact CE2-CD2 3.41Å; Y65-L268 VanDerWaalsContact CE2-CD2 3.41Å; Y65-L268 HydrophobicContact CE2-CG 4.19Å; I109-L268 HydrophobicContact CD1-CD1 3.71Å; I230-L268 HydrophobicContact CG2-CD1 3.49Å; I230-L268 VanDerWaalsContact CG2-CD1 3.49Å; I230-L268 HydrophobicContact CG2-CG 3.88Å; L231-L268 PolarHBondContact O-N 3.39Å; D232-L268 WeakPolarHBondContact CA-O 3.21Å; D232-L268 HydrophobicContact CB-CB 4.25Å; I233-L268 WeakPolarHBondContact CG1-O 3.29Å; I233-L268 PolarHBondContact N-O 3.44Å; Q266-L268 HydrophobicContact CG-CD2 3.78Å
269A97.6Very high94.1Very high0 Ų038.6 Ų38.60%021%0.211CC..EExtended strand (participates in β ladder)trans-137.1162.4166.300000110.2W55 V62 Q63 Y65 I233 F237 P271W55-A269 HydrophobicContact CH2-CB 3.64Å; W55-A269 HydrophobicContact CZ2-CB 3.67Å; V62-A269 HydrophobicContact CG1-CB 3.53Å; Q63-A269 PolarHBondContact O-N 3.22Å; Y65-A269 PolarHBondContact N-O 3.01Å; I233-A269 HydrophobicContact CD1-CB 4.2Å; I233-A269 HydrophobicContact CG1-CB 3.79Å; F237-A269 HydrophobicContact CE2-CB 3.85Å; F237-A269 HydrophobicContact CZ-CB 4.08Å; A269-P271 WeakPolarHBondContact O-CD 3.5Å
270Q95.8Very high93.9Very high28 Ų2838.6 Ų38.613%0.13121%0.211CC..  trans-114.457.3-177-61.3-174.89.300113.4Y65 P67 V88 D232 G234 G235 G272Y65-Q270 VanDerWaalsContact O-CA 3.27Å; Y65-Q270 WeakPolarHBondContact O-CA 3.48Å; P67-Q270 HydrophobicContact CG-CB 3.87Å; V88-Q270 HydrophobicContact CG2-CG 3.85Å; D232-Q270 PolarHBondContact OD2-NE2 3.46Å; G234-Q270 PolarHBondContact O-N 2.78Å; G235-Q270 WeakPolarHBondContact CA-O 3.41Å; Q270-G272 PolarHBondContact O-N 2.87Å
271P94.8Very high93.9Very high0 Ų038 Ų380%021%0.208CC..  trans-69.195.7-17830.1-35.8000111.2W55 P64 F237 A269 F274 Y275W55-P271 HydrophobicContact CE3-CB 4.16Å; W55-P271 HydrophobicContact CE3-CG 4.27Å; W55-P271 HydrophobicContact CH2-CB 4.05Å; W55-P271 HydrophobicContact CH2-CG 3.96Å; W55-P271 HydrophobicContact CZ2-CG 4.3Å; W55-P271 HydrophobicContact CZ3-CB 3.67Å; W55-P271 HydrophobicContact CZ3-CG 3.95Å; P64-P271 HydrophobicContact CB-CG 3.69Å; F237-P271 HydrophobicContact CD2-CB 4.12Å; F237-P271 HydrophobicContact CG-CB 4.49Å; A269-P271 WeakPolarHBondContact O-CD 3.5Å; P271-F274 HydrophobicContact CB-CB 3.84Å; P271-F274 HydrophobicContact CB-CD1 4.05Å; P271-F274 HydrophobicContact CB-CG 4.2Å; P271-Y275 HydrophobicContact CB-CD2 4.11Å; P271-Y275 HydrophobicContact CB-CE2 4.04Å; P271-Y275 HydrophobicContact CG-CD2 4.05Å; P271-Y275 HydrophobicContact CG-CE2 3.61Å; P271-Y275 WeakPolarHBondContact O-CD2 3.42Å
272G90.7Very high94Very high3 Ų330 Ų303%0.03117%0.17CC..SBendtrans-87-77.2174.800000111.9Q270 F274 Y275Q270-G272 PolarHBondContact O-N 2.87Å; G272-F274 PolarHBondContact O-N 3.11Å; G272-Y275 PolarHBondContact O-N 3.26Å; G272-Y275 VanDerWaalsContact O-N 3.09Å
273C88.6Confident94.1Very high52 Ų5219.1 Ų19.135%0.35113%0.13SC..Hα-helixtrans-52.3-32.9178.9-540000112.8Y275 V276 A277 T385C273-Y275 VanDerWaalsContact C-N 3.3Å; C273-Y275 PolarHBondContact O-N 2.7Å; C273-V276 PolarHBondContact O-N 3.23Å; C273-A277 WeakPolarHBondContact O-CB 3.45Å; C273-A277 PolarHBondContact O-N 3.49Å; C273-T385 HydrophobicContact CB-CG2 3.66Å; C273-T385 WeakPolarHBondContact SG-CG2 3.22Å
274F94.2Very high94.2Very high0 Ų016.5 Ų16.50%011%0.111CC..Hα-helixtrans-54.8-41.4178.9174.1-89.1000114.4Q51 C54 W55 F237 L244 P271 G272Q51-F274 HydrophobicContact CB-CD1 4.4Å; Q51-F274 HydrophobicContact CB-CE1 3.87Å; Q51-F274 HydrophobicContact CB-CZ 4.33Å; Q51-F274 VanDerWaalsContact CD-O 3.29Å; Q51-F274 WeakPolarHBondContact CG-O 3.21Å; Q51-F274 VanDerWaalsContact O-CE1 3.26Å; Q51-F274 WeakPolarHBondContact O-CE1 3.3Å; Q51-F274 WeakPolarHBondContact O-CZ 3.27Å; C54-F274 HydrophobicContact CB-CZ 4.47Å; W55-F274 HydrophobicContact CB-CE1 3.93Å; W55-F274 HydrophobicContact CB-CZ 4.15Å; W55-F274 HydrophobicContact CD2-CE1 4.44Å; W55-F274 AromaticContact CE3-CD1 3.96Å; W55-F274 HydrophobicContact CE3-CD1 3.96Å; W55-F274 AromaticContact CE3-CE1 3.74Å; W55-F274 HydrophobicContact CE3-CE1 3.74Å; W55-F274 HydrophobicContact CE3-CE2 4.43Å; W55-F274 HydrophobicContact CE3-CG 4.41Å; W55-F274 AromaticContact CE3-CZ 4Å; W55-F274 HydrophobicContact CE3-CZ 4Å; F237-F274 HydrophobicContact CB-CB 3.72Å; F237-F274 HydrophobicContact CB-CD2 4.36Å; F237-F274 HydrophobicContact CB-CG 4.32Å; F237-F274 PolarHBondContact O-N 2.94Å; L244-F274 HydrophobicContact CB-CE2 4.43Å; L244-F274 HydrophobicContact CD2-CD2 4.47Å; L244-F274 HydrophobicContact CD2-CE2 3.52Å; L244-F274 HydrophobicContact CD2-CZ 3.73Å; P271-F274 HydrophobicContact CB-CB 3.84Å; P271-F274 HydrophobicContact CB-CD1 4.05Å; P271-F274 HydrophobicContact CB-CG 4.2Å; G272-F274 PolarHBondContact O-N 3.11Å
275Y94.9Very high94.2Very high0 Ų014 Ų140%08%0.084CC..Hα-helixtrans-79.3-46.7179.8-83.3-79.8000111.9L48 Q51 H52 P64 L80 L85 P271 G272 C273L48-Y275 VanDerWaalsContact CD2-O 3.26Å; L48-Y275 WeakPolarHBondContact CD2-O 3.48Å; Q51-Y275 HydrophobicContact CB-CD1 3.99Å; Q51-Y275 HydrophobicContact CB-CE1 4.33Å; H52-Y275 HydrophobicContact CB-CE1 3.84Å; H52-Y275 AromaticContact ND1-CE1 3.99Å; H52-Y275 AromaticContact ND1-CZ 3.89Å; H52-Y275 PolarHBondContact ND1-OH 3.07Å; P64-Y275 HydrophobicContact CB-CE2 4.2Å; L80-Y275 HydrophobicContact CD2-CD1 3.63Å; L80-Y275 HydrophobicContact CD2-CE1 3.99Å; L80-Y275 HydrophobicContact CD2-CG 4.11Å; L85-Y275 HydrophobicContact CD2-CD2 4.2Å; L85-Y275 HydrophobicContact CD2-CE1 4.21Å; L85-Y275 HydrophobicContact CD2-CE2 3.65Å; P271-Y275 HydrophobicContact CB-CD2 4.11Å; P271-Y275 HydrophobicContact CB-CE2 4.04Å; P271-Y275 HydrophobicContact CG-CD2 4.05Å; P271-Y275 HydrophobicContact CG-CE2 3.61Å; P271-Y275 WeakPolarHBondContact O-CD2 3.42Å; G272-Y275 PolarHBondContact O-N 3.26Å; G272-Y275 VanDerWaalsContact O-N 3.09Å; C273-Y275 VanDerWaalsContact C-N 3.3Å; C273-Y275 PolarHBondContact O-N 2.7Å
276V92.8Very high94.1Very high0 Ų013 Ų130%08%0.078CC..Hα-helixtrans-99.9-25.9-162.3-62.70000114.4L48 Y66 C70 N71 V76 C273 S278 A279 F280 G384 T385L48-V276 HydrophobicContact CD2-CG1 4.03Å; Y66-V276 HydrophobicContact CE2-CG1 3.93Å; C70-V276 HydrophobicContact CB-CG2 4.43Å; N71-V276 HydrophobicContact CB-CB 4.33Å; N71-V276 HydrophobicContact CB-CG1 4.17Å; N71-V276 HydrophobicContact CB-CG2 4.14Å; V76-V276 HydrophobicContact CG1-CG1 3.76Å; C273-V276 PolarHBondContact O-N 3.23Å; V276-S278 PolarHBondContact O-N 3.33Å; V276-A279 WeakPolarHBondContact O-CB 3.3Å; V276-A279 PolarHBondContact O-N 3.34Å; V276-F280 HydrophobicContact CB-CE2 4.41Å; V276-G384 WeakPolarHBondContact CG2-O 3.47Å; V276-G384 VanDerWaalsContact O-CA 3.29Å; V276-G384 WeakPolarHBondContact O-CA 3.43Å; V276-T385 HydrophobicContact CG2-CG2 3.98Å
277A89.1Confident93.9Very high15 Ų1513.6 Ų13.612%0.1248%0.083CC..G310 helixtrans-51.3-59.2-16800000112.1C273 A279 N382 M383 G384 T385C273-A277 WeakPolarHBondContact O-CB 3.45Å; C273-A277 PolarHBondContact O-N 3.49Å; A277-A279 VanDerWaalsContact C-N 3.26Å; A277-A279 PolarHBondContact O-N 3.06Å; A277-N382 CarbonylContact O-C 3.58Å; A277-N382 WeakPolarHBondContact O-CA 3.4Å; A277-M383 PolarHBondContact O-N 3.14Å; A277-G384 PolarHBondContact O-N 3.12Å; A277-T385 HydrophobicContact CB-CG2 4Å
278S91.1Very high93.7Very high55 Ų5513.9 Ų13.939%0.3859%0.088SC..G310 helixtrans-76.4-5.7-178.462.90000114.9V276 F280 N382V276-S278 PolarHBondContact O-N 3.33Å; S278-F280 VanDerWaalsContact C-N 3.32Å; S278-N382 WeakPolarHBondContact CA-OD1 3.32Å; S278-N382 WeakPolarHBondContact CB-OD1 3.38Å
279A92.3Very high93.6Very high1 Ų116.4 Ų16.41%0.00810%0.099CC..G310 helixtrans-79.9-13.9-175.600000113G43 D44 A47 L48 V276 A277G43-A279 CarbonylContact C-O 3.58Å; G43-A279 WeakPolarHBondContact CA-O 3.06Å; D44-A279 PolarHBondContact N-O 2.97Å; A47-A279 HydrophobicContact CB-CB 3.78Å; L48-A279 HydrophobicContact CD2-CB 4.03Å; V276-A279 WeakPolarHBondContact O-CB 3.3Å; V276-A279 PolarHBondContact O-N 3.34Å; A277-A279 VanDerWaalsContact C-N 3.26Å; A277-A279 PolarHBondContact O-N 3.06Å
280F93.1Very high93.3Very high8 Ų821.1 Ų21.14%0.03512%0.121CC..EExtended strand (participates in β ladder)trans-126.6137.6-175.5-62.4-101.9000112.2V41 V42 V76 V276 S278 N382 M383 V402 Y404V41-F280 HydrophobicContact CG1-CB 3.96Å; V41-F280 HydrophobicContact CG1-CD1 3.64Å; V41-F280 HydrophobicContact CG1-CG 4.29Å; V42-F280 WeakPolarHBondContact O-CA 3.48Å; V76-F280 HydrophobicContact CG2-CE2 4.02Å; V76-F280 HydrophobicContact CG2-CZ 3.6Å; V276-F280 HydrophobicContact CB-CE2 4.41Å; S278-F280 VanDerWaalsContact C-N 3.32Å; F280-N382 PolarHBondContact O-N 2.93Å; F280-M383 PolarHBondContact O-N 3.41Å; F280-V402 HydrophobicContact CE1-CG1 4.28Å; F280-Y404 AromaticContact CE1-CE1 3.81Å; F280-Y404 HydrophobicContact CE1-CE1 3.81Å; F280-Y404 HydrophobicContact CZ-CE1 4.17Å
281T93.5Very high93.2Very high16 Ų1623.6 Ų23.610%0.09814%0.138CC..EExtended strand (participates in β ladder)trans-118.5129172.7-55.20000109.1I25 V41 V42 L379 F380I25-T281 HydrophobicContact CD1-CG2 3.99Å; V41-T281 WeakPolarHBondContact CA-O 3.5Å; V42-T281 PolarHBondContact N-O 3.42Å; V42-T281 PolarHBondContact O-N 2.96Å; T281-L379 HydrophobicContact CG2-CB 4.38Å; T281-F380 WeakPolarHBondContact CA-O 3.06Å
282L93.7Very high92.7Very high1 Ų126.2 Ų26.21%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-97.2129.1175.7174.771.3000109.3V41 V284 F322 L379 F380 M383 L400V41-L282 HydrophobicContact CG2-CD1 3.7Å; L282-V284 HydrophobicContact CD1-CG1 4.23Å; L282-V284 HydrophobicContact CD2-CG1 3.7Å; L282-V284 HydrophobicContact CG-CG1 3.72Å; L282-F322 HydrophobicContact CD2-CE1 4.22Å; L282-F322 HydrophobicContact CD2-CE2 3.74Å; L282-F322 HydrophobicContact CD2-CZ 3.54Å; L282-L379 WeakPolarHBondContact O-CA 3.37Å; L282-F380 HydrophobicContact CB-CB 4.36Å; L282-F380 PolarHBondContact N-O 3.23Å; L282-F380 PolarHBondContact O-N 3.28Å; L282-M383 HydrophobicContact CB-CB 4.03Å; L282-M383 HydrophobicContact CB-CE 4.5Å; L282-M383 HydrophobicContact CB-CG 3.89Å; L282-M383 HydrophobicContact CD2-CE 3.8Å; L282-L400 HydrophobicContact CD1-CD1 3.62Å
283A94.4Very high92Very high2 Ų230.2 Ų30.22%0.01718%0.178CC..EExtended strand (participates in β ladder)trans-104125.3169.600000109.6A39 F40 W377 L379A39-A283 VanDerWaalsContact CA-O 3.29Å; A39-A283 WeakPolarHBondContact CA-O 3.39Å; A39-A283 WeakPolarHBondContact CB-O 3.34Å; F40-A283 HydrophobicContact CD1-CB 4.01Å; F40-A283 HydrophobicContact CD2-CB 4.33Å; F40-A283 HydrophobicContact CE1-CB 3.66Å; F40-A283 HydrophobicContact CE2-CB 4.02Å; F40-A283 HydrophobicContact CG-CB 4.35Å; F40-A283 HydrophobicContact CZ-CB 3.68Å; F40-A283 PolarHBondContact N-O 3.32Å; F40-A283 VanDerWaalsContact N-O 3.08Å; F40-A283 PolarHBondContact O-N 2.84Å; A283-W377 HydrophobicContact CB-CE3 4.01Å; A283-W377 HydrophobicContact CB-CZ3 4.08Å; A283-L379 HydrophobicContact CB-CD2 3.67Å
284V94.7Very high90.4Very high0 Ų035.1 Ų35.10%019%0.189CC..EExtended strand (participates in β ladder)trans-125.7151.4177.4-55.90000110.2A39 L282 M314 E316 F322 W377 L378 F380A39-V284 HydrophobicContact CB-CG1 4.23Å; L282-V284 HydrophobicContact CD1-CG1 4.23Å; L282-V284 HydrophobicContact CD2-CG1 3.7Å; L282-V284 HydrophobicContact CG-CG1 3.72Å; V284-M314 HydrophobicContact CG2-CB 4.31Å; V284-M314 HydrophobicContact CG2-CG 4.24Å; V284-M314 HydrophobicContact CG2-SD 3.64Å; V284-E316 HydrophobicContact CG1-CB 3.84Å; V284-F322 HydrophobicContact CG1-CE2 4.39Å; V284-W377 WeakPolarHBondContact O-CA 3.46Å; V284-L378 HydrophobicContact CG2-CB 3.88Å; V284-L378 PolarHBondContact N-O 3.22Å; V284-L378 PolarHBondContact O-N 2.77Å; V284-F380 HydrophobicContact CG2-CD2 4.02Å; V284-F380 HydrophobicContact CG2-CE2 3.61Å
285S94.6Very high88.1Confident5 Ų541.8 Ų41.84%0.03521%0.214CC..EExtended strand (participates in β ladder)trans-106.4145.6177.269.40000111.3K37 I287 M314 N315 D376K37-S285 PolarHBondContact O-OG 3.05Å; S285-I287 PolarHBondContact O-N 3.24Å; S285-M314 WeakPolarHBondContact O-CA 3.4Å; S285-N315 PolarHBondContact N-OD1 3.37Å; S285-N315 PolarHBondContact O-N 2.85Å; S285-N315 VanDerWaalsContact O-N 3.17Å; S285-N315 PolarHBondContact O-OD1 2.55Å; S285-N315 PolarHBondContact OG-ND2 3.32Å; S285-D376 WeakPolarHBondContact CA-O 3.49Å
286V95Very high85.7Confident1 Ų153 Ų531%0.00626%0.257CS..EExtended strand (participates in β ladder)trans-74.8116.8171.7179.30000108.5G288 Y312 L372 V374 G375 D376 L378V286-G288 WeakPolarHBondContact CG1-O 3.33Å; V286-Y312 HydrophobicContact CG1-CD1 3.89Å; V286-L372 HydrophobicContact CG2-CD1 4.2Å; V286-V374 CarbonylContact O-C 3.56Å; V286-G375 PolarHBondContact O-N 2.8Å; V286-D376 PolarHBondContact N-O 3.2Å; V286-L378 HydrophobicContact CG2-CD1 4.25Å; V286-L378 HydrophobicContact CG2-CG 4.46Å
287I94.9Very high83.3Confident86 Ų8659.3 Ų59.344%0.44129%0.29SS..EExtended strand (participates in β ladder)trans-103.4-19.2179.359.9169.2000113.1S285 Y313 M314 N315 P355S285-I287 PolarHBondContact O-N 3.24Å; I287-Y313 VanDerWaalsContact CG1-O 3.23Å; I287-Y313 WeakPolarHBondContact CG1-O 3.3Å; I287-Y313 PolarHBondContact N-O 2.92Å; I287-M314 WeakPolarHBondContact CD1-O 3.36Å; I287-N315 HydrophobicContact CG2-CB 3.79Å; I287-P355 HydrophobicContact CD1-CB 4.15Å
288G93.9Very high80.8Confident17 Ų1763.1 Ų63.118%0.17532%0.316CS..EExtended strand (participates in β ladder)trans-146.1150.9179.200000111.7V286 Y312 Y313V286-G288 WeakPolarHBondContact CG1-O 3.33Å; G288-Y312 WeakPolarHBondContact O-CA 3.49Å; G288-Y313 PolarHBondContact N-O 2.93Å; G288-Y313 VanDerWaalsContact N-O 3.11Å; G288-Y313 PolarHBondContact O-N 2.96Å
289K95.1Very high78.7Confident55 Ų5569.4 Ų69.424%0.23934%0.344CS..EExtended strand (participates in β ladder)trans-141.4131.2177.8175.6-176.7-178.5173.90109.5L311 Y312 E371 L372 V374K289-L311 CarbonylContact C-O 3.43Å; K289-L311 WeakPolarHBondContact CA-O 3.39Å; K289-Y312 HydrophobicContact CB-CD1 4.13Å; K289-Y312 HydrophobicContact CB-CE1 4.23Å; K289-Y312 HydrophobicContact CD-CE1 3.87Å; K289-Y312 HydrophobicContact CG-CD1 4.04Å; K289-Y312 HydrophobicContact CG-CE1 3.71Å; K289-E371 IonicContact NZ-OE1 2.66Å; K289-E371 PolarHBondContact NZ-OE1 3.36Å; K289-L372 WeakPolarHBondContact CD-O 3.44Å; K289-L372 WeakPolarHBondContact CE-O 3.4Å; K289-L372 PolarHBondContact NZ-O 3.42Å; K289-V374 HydrophobicContact CB-CG2 4.23Å
290E92.9Very high76.3Confident98 Ų9873.3 Ų73.346%0.45837%0.371SS..EExtended strand (participates in β ladder)trans-126.2145.2171.1-70.6179.715700110.1L311 Y313E290-L311 HydrophobicContact CB-CB 4.06Å; E290-L311 PolarHBondContact N-O 2.9Å; E290-L311 PolarHBondContact O-N 3Å; E290-Y313 HydrophobicContact CB-CE2 4.43Å; E290-Y313 HydrophobicContact CG-CE2 3.92Å; E290-Y313 PolarHBondContact OE2-OH 2.93Å
291V91.8Very high74Confident81 Ų8182.7 Ų82.749%0.49142%0.415SS..EExtended strand (participates in β ladder)trans-109.9114.9177.9-170.60000108T308 F310V291-T308 HydrophobicContact CG1-CG2 3.66Å; V291-F310 HydrophobicContact CB-CD1 4.46Å; V291-F310 HydrophobicContact CB-CE1 4.39Å; V291-F310 HydrophobicContact CG1-CD1 4.36Å; V291-F310 HydrophobicContact CG1-CE1 4.06Å; V291-F310 HydrophobicContact CG2-CD1 3.9Å; V291-F310 HydrophobicContact CG2-CE1 3.67Å
292V86.3Confident71.7Confident55 Ų5585.3 Ų85.333%0.33345%0.446SS..EExtended strand (participates in β ladder)trans-99.3107.2175.4178.70000107.3E309 L311V292-E309 HydrophobicContact CB-CB 4.41Å; V292-E309 PolarHBondContact N-O 2.92Å; V292-E309 PolarHBondContact O-N 3.5Å; V292-L311 HydrophobicContact CB-CD1 4.26Å; V292-L311 HydrophobicContact CG2-CD1 3.57Å; V292-L311 HydrophobicContact CG2-CD2 4.05Å; V292-L311 HydrophobicContact CG2-CG 4.4Å
293T74.9Confident69.2Low87 Ų8793.9 Ų93.953%0.53449%0.486SS..EExtended strand (participates in β ladder)trans-91.9118.3169.8-47.80000107.6R295T293-R295 HydrophobicContact CG2-CB 4.49Å; T293-R295 PolarHBondContact O-N 2.92Å
294R56.1Low66.9Low155 Ų155102.4 Ų102.459%0.58552%0.523SS*.  trans-72.675.1173.4-67.9-172.3-178.8-167.13.1110.5D307 E309R294-D307 PolarHBondContact N-O 3.03Å; R294-E309 IonicContact CZ-OE1 3.33Å; R294-E309 IonicContact CZ-OE2 3.32Å; R294-E309 VanDerWaalsContact NE-CD 3.32Å; R294-E309 IonicContact NE-OE1 3.42Å; R294-E309 PolarHBondContact NE-OE1 3.48Å; R294-E309 IonicContact NE-OE2 2.86Å; R294-E309 PolarHBondContact NE-OE2 3.45Å; R294-E309 VanDerWaalsContact NH2-CD 3.3Å; R294-E309 IonicContact NH2-OE1 2.84Å; R294-E309 PolarHBondContact NH2-OE1 3.23Å; R294-E309 IonicContact NH2-OE2 2.94Å; R294-E309 PolarHBondContact NH2-OE2 3.41Å
295R45.5Very low64.8Low140 Ų140108.2 Ų108.253%0.52855%0.554SS.*  trans-142.995.5168.7-80.3-169.2178-165.3-5.8111.7T293T293-R295 HydrophobicContact CG2-CB 4.49Å; T293-R295 PolarHBondContact O-N 2.92Å
296W44.3Very low62.9Low235 Ų235115.9 Ų115.989%0.8959%0.589SS**SBendtrans-110.1-20.7151.5-179.4-95.4000113.3
297D42.8Very low61.7Low132 Ų132119.8 Ų119.871%0.70661%0.61SS**SBendtrans-123.2119-178.9-71.2-42.1000112.5
298S36.1Very low61.2Low95 Ų95116.9 Ų116.966%0.66460%0.596SS**  trans104.192167.5-45.80000116.2S300S298-S300 PolarHBondContact O-N 2.96Å
299L46.7Very low61Low188 Ų188117.9 Ų117.998%0.98460%0.596SS**  trans-5395.8153.3-75.3155.7000110
300S41.6Very low61Low82 Ų82115.5 Ų115.557%0.57359%0.586SS**  trans-146.3127.5155440000110S298S298-S300 PolarHBondContact O-N 2.96Å
301Q45.1Very low61.1Low205 Ų205112.2 Ų112.296%0.95857%0.571SS**  trans-70.6134.1-180-78173.9-20.100110.1
302G44.8Very low61.3Low72 Ų72108.3 Ų108.374%0.74255%0.548SS*.  trans95.658.8152.700000116.6
303E41.6Very low61.8Low181 Ų181107.6 Ų107.685%0.84654%0.539SS*.  trans-135.5147.6154.9-69.6-169.8157.700109.1
304K46.7Very low62.7Low181 Ų181103.5 Ų103.579%0.78751%0.514SS*.  trans-61.1163.1-163-70171.8173.7177.60113.3E306K304-E306 PolarHBondContact O-N 3.33Å
305N50.8Low64.5Low122 Ų12297.7 Ų97.765%0.65250%0.495SS*.SBendtrans-50.936.9175.9-86.5-0.4000116.8
306E54Low66.7Low166 Ų16691.6 Ų91.678%0.77647%0.472SS*.THydrogen-bonded Turntrans-86.7-8-177.9-68-172.6175.500113.5K304K304-E306 PolarHBondContact O-N 3.33Å
307D69.8Low68.9Low83 Ų8380.5 Ų80.544%0.44443%0.431SS..THydrogen-bonded Turntrans-106.910.9-175.2-68.6-33.6000114.6R294R294-D307 PolarHBondContact N-O 3.03Å
308T83.8Confident71.2Confident25 Ų2574.2 Ų74.215%0.15340%0.397CS..EExtended strand (participates in β ladder)trans-87.6115.7179.1-55.80000110.3V291 F310V291-T308 HydrophobicContact CG1-CG2 3.66Å; T308-F310 HydrophobicContact CG2-CE1 4.19Å; T308-F310 HydrophobicContact CG2-CE2 4.16Å; T308-F310 HydrophobicContact CG2-CZ 3.88Å
309E91.2Very high73.6Confident37 Ų3772.5 Ų72.517%0.17338%0.376CS..EExtended strand (participates in β ladder)trans-107.6138171.7-55.2-169.9136.200109.8V292 R294 P349V292-E309 HydrophobicContact CB-CB 4.41Å; V292-E309 PolarHBondContact N-O 2.92Å; V292-E309 PolarHBondContact O-N 3.5Å; R294-E309 IonicContact CZ-OE1 3.33Å; R294-E309 IonicContact CZ-OE2 3.32Å; R294-E309 VanDerWaalsContact NE-CD 3.32Å; R294-E309 IonicContact NE-OE1 3.42Å; R294-E309 PolarHBondContact NE-OE1 3.48Å; R294-E309 IonicContact NE-OE2 2.86Å; R294-E309 PolarHBondContact NE-OE2 3.45Å; R294-E309 VanDerWaalsContact NH2-CD 3.3Å; R294-E309 IonicContact NH2-OE1 2.84Å; R294-E309 PolarHBondContact NH2-OE1 3.23Å; R294-E309 IonicContact NH2-OE2 2.94Å; R294-E309 PolarHBondContact NH2-OE2 3.41Å; E309-P349 VanDerWaalsContact CA-O 3.31Å; E309-P349 WeakPolarHBondContact CA-O 3.49Å; E309-P349 HydrophobicContact CB-CG 4.46Å; E309-P349 HydrophobicContact CG-CB 4.34Å; E309-P349 HydrophobicContact CG-CG 3.84Å
310F94.1Very high75.5Confident5 Ų564 Ų642%0.02234%0.335CS..EExtended strand (participates in β ladder)trans-106.2137.5176.3-67.1-69.5000111.9V291 T308 Y312 Y348 P349 S350 S351 E371V291-F310 HydrophobicContact CB-CD1 4.46Å; V291-F310 HydrophobicContact CB-CE1 4.39Å; V291-F310 HydrophobicContact CG1-CD1 4.36Å; V291-F310 HydrophobicContact CG1-CE1 4.06Å; V291-F310 HydrophobicContact CG2-CD1 3.9Å; V291-F310 HydrophobicContact CG2-CE1 3.67Å; T308-F310 HydrophobicContact CG2-CE1 4.19Å; T308-F310 HydrophobicContact CG2-CE2 4.16Å; T308-F310 HydrophobicContact CG2-CZ 3.88Å; F310-Y312 HydrophobicContact CB-CD2 4.3Å; F310-Y312 HydrophobicContact CB-CE1 4.36Å; F310-Y312 HydrophobicContact CB-CE2 3.57Å; F310-Y312 HydrophobicContact CG-CE2 4.36Å; F310-Y312 AromaticContact CG-CZ 3.98Å; F310-Y312 WeakPolarHBondContact CG-OH 3.41Å; F310-Y348 HydrophobicContact CD2-CD2 4.24Å; F310-Y348 AromaticContact CD2-CG 3.91Å; F310-Y348 HydrophobicContact CD2-CG 3.91Å; F310-Y348 AromaticContact CE2-CD1 3.92Å; F310-Y348 HydrophobicContact CE2-CD1 3.92Å; F310-Y348 AromaticContact CE2-CD2 3.63Å; F310-Y348 HydrophobicContact CE2-CD2 3.63Å; F310-Y348 HydrophobicContact CE2-CE1 4.44Å; F310-Y348 HydrophobicContact CE2-CE2 4.17Å; F310-Y348 AromaticContact CE2-CG 3.49Å; F310-Y348 HydrophobicContact CE2-CG 3.49Å; F310-Y348 VanDerWaalsContact CE2-CG 3.49Å; F310-P349 PolarHBondContact N-O 3.1Å; F310-S350 CarbonylContact O-C 3.58Å; F310-S350 WeakPolarHBondContact O-CA 3.37Å; F310-S351 PolarHBondContact O-N 3.4Å; F310-E371 HydrophobicContact CE1-CG 4.22Å; F310-E371 HydrophobicContact CE2-CB 4.08Å; F310-E371 HydrophobicContact CE2-CG 4.02Å; F310-E371 HydrophobicContact CZ-CB 4.2Å; F310-E371 HydrophobicContact CZ-CG 3.68Å
311L95.1Very high77.6Confident29 Ų2960.7 Ų60.715%0.15231%0.312CS..EExtended strand (participates in β ladder)trans-110.3120.2170.1-83.758.5000107.2K289 E290 V292 Y313 S351K289-L311 CarbonylContact C-O 3.43Å; K289-L311 WeakPolarHBondContact CA-O 3.39Å; E290-L311 HydrophobicContact CB-CB 4.06Å; E290-L311 PolarHBondContact N-O 2.9Å; E290-L311 PolarHBondContact O-N 3Å; V292-L311 HydrophobicContact CB-CD1 4.26Å; V292-L311 HydrophobicContact CG2-CD1 3.57Å; V292-L311 HydrophobicContact CG2-CD2 4.05Å; V292-L311 HydrophobicContact CG2-CG 4.4Å; L311-Y313 HydrophobicContact CB-CE2 4.46Å; L311-S351 WeakPolarHBondContact CG-OG 3.41Å
312Y96.3Very high79.7Confident0 Ų051 Ų510%027%0.266CS..EExtended strand (participates in β ladder)trans-111.5130.8176-60.5-68.9000110.3V286 G288 K289 F310 S351 L352 W353 L372V286-Y312 HydrophobicContact CG1-CD1 3.89Å; G288-Y312 WeakPolarHBondContact O-CA 3.49Å; K289-Y312 HydrophobicContact CB-CD1 4.13Å; K289-Y312 HydrophobicContact CB-CE1 4.23Å; K289-Y312 HydrophobicContact CD-CE1 3.87Å; K289-Y312 HydrophobicContact CG-CD1 4.04Å; K289-Y312 HydrophobicContact CG-CE1 3.71Å; F310-Y312 HydrophobicContact CB-CD2 4.3Å; F310-Y312 HydrophobicContact CB-CE1 4.36Å; F310-Y312 HydrophobicContact CB-CE2 3.57Å; F310-Y312 HydrophobicContact CG-CE2 4.36Å; F310-Y312 AromaticContact CG-CZ 3.98Å; F310-Y312 WeakPolarHBondContact CG-OH 3.41Å; Y312-S351 PolarHBondContact N-O 3.26Å; Y312-L352 HydrophobicContact CD2-CD2 3.98Å; Y312-L352 HydrophobicContact CG-CD2 4.36Å; Y312-L352 WeakPolarHBondContact O-CA 3.22Å; Y312-W353 PolarHBondContact O-N 3.2Å; Y312-L372 HydrophobicContact CD1-CB 4.28Å; Y312-L372 HydrophobicContact CD2-CD1 4.22Å; Y312-L372 HydrophobicContact CE1-CB 3.65Å; Y312-L372 HydrophobicContact CE1-CG 4.38Å; Y312-L372 HydrophobicContact CE2-CB 4.36Å; Y312-L372 HydrophobicContact CE2-CD1 4.09Å; Y312-L372 HydrophobicContact CE2-CG 4.21Å; Y312-L372 PolarHBondContact OH-N 3.29Å
313Y96Very high81.6Confident40 Ų4047.6 Ų47.616%0.15723%0.231CC..EExtended strand (participates in β ladder)trans-102.7129174.6-60-93.1000108.4I287 G288 E290 L311 W353 L357I287-Y313 VanDerWaalsContact CG1-O 3.23Å; I287-Y313 WeakPolarHBondContact CG1-O 3.3Å; I287-Y313 PolarHBondContact N-O 2.92Å; G288-Y313 PolarHBondContact N-O 2.93Å; G288-Y313 VanDerWaalsContact N-O 3.11Å; G288-Y313 PolarHBondContact O-N 2.96Å; E290-Y313 HydrophobicContact CB-CE2 4.43Å; E290-Y313 HydrophobicContact CG-CE2 3.92Å; E290-Y313 PolarHBondContact OE2-OH 2.93Å; L311-Y313 HydrophobicContact CB-CE2 4.46Å; Y313-W353 CarbonylContact C-O 3.53Å; Y313-W353 WeakPolarHBondContact CA-O 3.15Å; Y313-W353 HydrophobicContact CD1-CB 3.67Å; Y313-W353 HydrophobicContact CD1-CG 4.4Å; Y313-W353 HydrophobicContact CE1-CB 3.95Å; Y313-W353 HydrophobicContact CE1-CG 4.24Å; Y313-W353 HydrophobicContact CG-CB 4.38Å; Y313-L357 HydrophobicContact CD1-CD2 3.86Å; Y313-L357 HydrophobicContact CE1-CD2 3.72Å
314M95.2Very high83.4Confident0 Ų040 Ų400%020%0.196CC..EExtended strand (participates in β ladder)trans-106.8159.4-176.3-56.6178.6-57.600110.5V284 S285 I287 E316 F322 L352 W353 P355 V363 L378 F380V284-M314 HydrophobicContact CG2-CB 4.31Å; V284-M314 HydrophobicContact CG2-CG 4.24Å; V284-M314 HydrophobicContact CG2-SD 3.64Å; S285-M314 WeakPolarHBondContact O-CA 3.4Å; I287-M314 WeakPolarHBondContact CD1-O 3.36Å; M314-E316 PolarHBondContact O-N 2.99Å; M314-F322 HydrophobicContact CE-CE2 4.21Å; M314-L352 HydrophobicContact CE-CB 3.95Å; M314-L352 HydrophobicContact SD-CB 4.13Å; M314-L352 HydrophobicContact SD-CD1 4.31Å; M314-W353 PolarHBondContact N-O 3.02Å; M314-P355 WeakPolarHBondContact O-CD 3.18Å; M314-V363 HydrophobicContact CE-CB 3.87Å; M314-V363 HydrophobicContact CE-CG1 4.11Å; M314-V363 HydrophobicContact CE-CG2 3.75Å; M314-L378 HydrophobicContact SD-CD1 4.02Å; M314-F380 HydrophobicContact CE-CZ 4.3Å; M314-F380 HydrophobicContact SD-CE2 3.91Å; M314-F380 HydrophobicContact SD-CZ 3.97Å
315N92.4Very high85.2Confident34 Ų3434.6 Ų34.618%0.18217%0.172CC..SBendtrans-75.55.817463.7-12000114.2K37 A39 S285 I287K37-N315 PolarHBondContact O-ND2 3.28Å; A39-N315 PolarHBondContact N-ND2 2.89Å; S285-N315 PolarHBondContact N-OD1 3.37Å; S285-N315 PolarHBondContact O-N 2.85Å; S285-N315 VanDerWaalsContact O-N 3.17Å; S285-N315 PolarHBondContact O-OD1 2.55Å; S285-N315 PolarHBondContact OG-ND2 3.32Å; I287-N315 HydrophobicContact CG2-CB 3.79Å
316E92.1Very high86.8Confident11 Ų1132 Ų325%0.05116%0.158CC..  trans-142.1153.3174.5-108-71.7-134.500111.3A39 V284 M314 S321 F322 G354 L400A39-E316 HydrophobicContact CB-CB 4.48Å; A39-E316 HydrophobicContact CB-CG 4.02Å; V284-E316 HydrophobicContact CG1-CB 3.84Å; M314-E316 PolarHBondContact O-N 2.99Å; E316-S321 WeakPolarHBondContact OE1-CB 3.44Å; E316-S321 PolarHBondContact OE1-N 3.21Å; E316-S321 PolarHBondContact OE1-OG 2.68Å; E316-F322 HydrophobicContact CB-CE2 4.23Å; E316-G354 WeakPolarHBondContact O-CA 3.41Å; E316-L400 HydrophobicContact CG-CD1 4.14Å; E316-L400 HydrophobicContact CG-CD2 4.26Å
317G90.9Very high87.7Confident2 Ų228.9 Ų28.92%0.02115%0.146CC..  trans-153.7-168.3-168.400000114.8Y319 G320 F322 D361G317-Y319 PolarHBondContact O-N 2.54Å; G317-G320 CarbonylContact O-C 3.56Å; G317-G320 PolarHBondContact O-N 3.3Å; G317-G320 VanDerWaalsContact O-N 3.13Å; G317-F322 WeakPolarHBondContact O-CB 3.28Å; G317-F322 PolarHBondContact O-N 3.09Å; G317-F322 VanDerWaalsContact O-N 3.11Å; G317-D361 VanDerWaalsContact CA-OD1 3.23Å; G317-D361 WeakPolarHBondContact CA-OD1 3.36Å
318V89.9Confident87.8Confident0 Ų027.9 Ų27.90%016%0.155CC..THydrogen-bonded Turntrans-71.2-16.8-176.6-52.40000113.1G320 F322 S323 K325 L326 D361 V363V318-G320 VanDerWaalsContact C-N 3.3Å; V318-F322 HydrophobicContact CG1-CB 4.49Å; V318-S323 WeakPolarHBondContact O-CA 3.47Å; V318-S323 WeakPolarHBondContact O-CB 3.34Å; V318-S323 PolarHBondContact O-N 3.44Å; V318-K325 HydrophobicContact CG1-CB 4.17Å; V318-K325 HydrophobicContact CG1-CG 4.21Å; V318-L326 HydrophobicContact CB-CD1 4.3Å; V318-L326 HydrophobicContact CB-CD2 4.19Å; V318-L326 HydrophobicContact CB-CG 4Å; V318-L326 HydrophobicContact CG2-CD1 4.06Å; V318-L326 HydrophobicContact CG2-CD2 3.89Å; V318-L326 HydrophobicContact CG2-CG 4.05Å; V318-D361 HydrophobicContact CG2-CB 4.25Å; V318-D361 WeakPolarHBondContact CG2-OD1 3.42Å; V318-D361 PolarHBondContact N-OD1 2.68Å; V318-V363 HydrophobicContact CG1-CG2 4.14Å
319Y87.8Confident87.4Confident59 Ų5930.6 Ų30.623%0.23117%0.169CC..THydrogen-bonded Turntrans-88.60.4173.9-56.9-75.6000113.4G317 D358 D361 V394G317-Y319 PolarHBondContact O-N 2.54Å; Y319-D358 WeakPolarHBondContact CE2-OD2 3.42Å; Y319-D358 VanDerWaalsContact CZ-OD2 3.22Å; Y319-D358 VanDerWaalsContact OH-CG 3.3Å; Y319-D358 PolarHBondContact OH-OD1 3.17Å; Y319-D358 PolarHBondContact OH-OD2 2.9Å; Y319-D361 HydrophobicContact CD2-CB 4.5Å; Y319-D361 HydrophobicContact CE2-CB 4.06Å; Y319-V394 HydrophobicContact CD1-CG1 4.15Å; Y319-V394 HydrophobicContact CE1-CG1 4.48Å
320G86.3Confident86.8Confident11 Ų1136 Ų3611%0.11320%0.197CC..THydrogen-bonded Turntrans-123-120.7173.200000110.3G317 V318 F322 S323G317-G320 CarbonylContact O-C 3.56Å; G317-G320 PolarHBondContact O-N 3.3Å; G317-G320 VanDerWaalsContact O-N 3.13Å; V318-G320 VanDerWaalsContact C-N 3.3Å; G320-F322 PolarHBondContact O-N 2.87Å; G320-S323 PolarHBondContact O-N 3.37Å
321S86.5Confident86.2Confident12 Ų1236.5 Ų36.58%0.08420%0.2CC..THydrogen-bonded Turntrans-64.8-22.2-172.8-59.10000114.5E316 M383 L400E316-S321 WeakPolarHBondContact OE1-CB 3.44Å; E316-S321 PolarHBondContact OE1-N 3.21Å; E316-S321 PolarHBondContact OE1-OG 2.68Å; S321-M383 WeakPolarHBondContact O-CE 3.36Å; S321-L400 WeakPolarHBondContact OG-CD1 3.41Å
322F89.1Confident85.4Confident0 Ų038.5 Ų38.50%021%0.214CC..THydrogen-bonded Turntrans-95.818.4179.9-58.1-78.6000114.1L282 V284 M314 E316 G317 V318 G320 H324 K325 I331 V363 F380 M383L282-F322 HydrophobicContact CD2-CE1 4.22Å; L282-F322 HydrophobicContact CD2-CE2 3.74Å; L282-F322 HydrophobicContact CD2-CZ 3.54Å; V284-F322 HydrophobicContact CG1-CE2 4.39Å; M314-F322 HydrophobicContact CE-CE2 4.21Å; E316-F322 HydrophobicContact CB-CE2 4.23Å; G317-F322 WeakPolarHBondContact O-CB 3.28Å; G317-F322 PolarHBondContact O-N 3.09Å; G317-F322 VanDerWaalsContact O-N 3.11Å; V318-F322 HydrophobicContact CG1-CB 4.49Å; G320-F322 PolarHBondContact O-N 2.87Å; F322-H324 PolarHBondContact O-N 2.89Å; F322-H324 VanDerWaalsContact O-N 3.07Å; F322-K325 WeakPolarHBondContact O-CB 3.31Å; F322-K325 PolarHBondContact O-N 2.88Å; F322-I331 HydrophobicContact CD1-CD1 3.99Å; F322-I331 HydrophobicContact CD1-CG1 4.26Å; F322-I331 HydrophobicContact CD1-CG2 4.09Å; F322-I331 HydrophobicContact CE1-CG2 4.01Å; F322-V363 HydrophobicContact CB-CG1 4.03Å; F322-V363 HydrophobicContact CB-CG2 4.25Å; F322-V363 HydrophobicContact CD1-CG1 3.48Å; F322-V363 VanDerWaalsContact CD1-CG1 3.48Å; F322-V363 HydrophobicContact CD2-CG1 3.89Å; F322-V363 HydrophobicContact CD2-CG2 3.94Å; F322-V363 HydrophobicContact CE1-CG1 3.79Å; F322-V363 HydrophobicContact CE2-CG1 4.15Å; F322-V363 HydrophobicContact CG-CG1 3.53Å; F322-V363 HydrophobicContact CG-CG2 4.13Å; F322-V363 HydrophobicContact CZ-CG1 4.1Å; F322-F380 HydrophobicContact CE1-CB 4.32Å; F322-F380 AromaticContact CE1-CD1 3.67Å; F322-F380 HydrophobicContact CE1-CD1 3.67Å; F322-F380 HydrophobicContact CE1-CD2 4.21Å; F322-F380 AromaticContact CE1-CE1 3.9Å; F322-F380 HydrophobicContact CE1-CE1 3.9Å; F322-F380 HydrophobicContact CE1-CE2 4.43Å; F322-F380 AromaticContact CE1-CG 3.81Å; F322-F380 HydrophobicContact CE1-CG 3.81Å; F322-F380 HydrophobicContact CE1-CZ 4.26Å; F322-F380 HydrophobicContact CZ-CB 4.46Å; F322-F380 AromaticContact CZ-CD1 3.99Å; F322-F380 HydrophobicContact CZ-CD1 3.99Å; F322-F380 AromaticContact CZ-CD2 3.71Å; F322-F380 HydrophobicContact CZ-CD2 3.71Å; F322-F380 HydrophobicContact CZ-CE1 4.06Å; F322-F380 AromaticContact CZ-CE2 3.79Å; F322-F380 HydrophobicContact CZ-CE2 3.79Å; F322-F380 AromaticContact CZ-CG 3.8Å; F322-F380 HydrophobicContact CZ-CG 3.8Å; F322-F380 AromaticContact CZ-CZ 3.95Å; F322-F380 HydrophobicContact CZ-CZ 3.95Å; F322-M383 HydrophobicContact CD1-CE 3.59Å; F322-M383 HydrophobicContact CD1-SD 4.3Å; F322-M383 HydrophobicContact CE1-CE 3.52Å; F322-M383 HydrophobicContact CE1-SD 4.03Å; F322-M383 HydrophobicContact CG-CE 4.32Å; F322-M383 HydrophobicContact CZ-CE 4.2Å
323S84.9Confident84.7Confident2 Ų242.9 Ų42.91%0.01424%0.241CC..G310 helixtrans-56-28.2-177.866.70000115.4V318 G320 K325 L326 G387V318-S323 WeakPolarHBondContact O-CA 3.47Å; V318-S323 WeakPolarHBondContact O-CB 3.34Å; V318-S323 PolarHBondContact O-N 3.44Å; G320-S323 PolarHBondContact O-N 3.37Å; S323-K325 PolarHBondContact O-N 3.15Å; S323-K325 VanDerWaalsContact O-N 3.17Å; S323-L326 WeakPolarHBondContact O-CB 3.05Å; S323-L326 PolarHBondContact O-N 2.88Å; S323-G387 PolarHBondContact OG-O 3.1Å
324H78.7Confident84.4Confident21 Ų2141.4 Ų41.410%0.09724%0.236CC..G310 helixtrans-63.3-20175.263.1-83.1000113.4F322 L326 L327 N329 I331F322-H324 PolarHBondContact O-N 2.89Å; F322-H324 VanDerWaalsContact O-N 3.07Å; H324-L326 VanDerWaalsContact C-N 3.31Å; H324-L326 PolarHBondContact O-N 3.08Å; H324-L327 WeakPolarHBondContact O-CB 2.92Å; H324-L327 PolarHBondContact O-N 2.82Å; H324-L327 VanDerWaalsContact O-N 3.15Å; H324-N329 HydrophobicContact CB-CB 4.37Å; H324-N329 VanDerWaalsContact O-CB 3.31Å; H324-N329 WeakPolarHBondContact O-CB 3.5Å; H324-N329 PolarHBondContact O-N 3.38Å; H324-I331 VanDerWaalsContact CD2-CD1 3.5Å; H324-I331 WeakPolarHBondContact CD2-CD1 3.34Å; H324-I331 VanDerWaalsContact CE1-CD1 3.47Å; H324-I331 WeakPolarHBondContact CE1-CD1 3.45Å; H324-I331 WeakPolarHBondContact NE2-CD1 3.48Å
325K84.6Confident84.1Confident68 Ų6846.3 Ų46.330%0.29626%0.262SS..G310 helixtrans-61.2-39.2170.9-178.652.9171.7173.50112.1V318 F322 S323 L327 G328 N329 I331V318-K325 HydrophobicContact CG1-CB 4.17Å; V318-K325 HydrophobicContact CG1-CG 4.21Å; F322-K325 WeakPolarHBondContact O-CB 3.31Å; F322-K325 PolarHBondContact O-N 2.88Å; S323-K325 PolarHBondContact O-N 3.15Å; S323-K325 VanDerWaalsContact O-N 3.17Å; K325-L327 PolarHBondContact O-N 3.43Å; K325-G328 PolarHBondContact O-N 3.44Å; K325-N329 VanDerWaalsContact CD-O 3.29Å; K325-N329 WeakPolarHBondContact CD-O 3.31Å; K325-I331 HydrophobicContact CB-CD1 4.11Å; K325-I331 HydrophobicContact CB-CG1 4.16Å; K325-I331 HydrophobicContact CD-CG1 4.2Å; K325-I331 HydrophobicContact CG-CG1 4.42Å
326L83.2Confident84Confident67 Ų6746 Ų4635%0.35126%0.261SS..THydrogen-bonded Turntrans-66.1-24.3176.7-62.1176000112.3V318 S323 H324 G328 L360V318-L326 HydrophobicContact CB-CD1 4.3Å; V318-L326 HydrophobicContact CB-CD2 4.19Å; V318-L326 HydrophobicContact CB-CG 4Å; V318-L326 HydrophobicContact CG2-CD1 4.06Å; V318-L326 HydrophobicContact CG2-CD2 3.89Å; V318-L326 HydrophobicContact CG2-CG 4.05Å; S323-L326 WeakPolarHBondContact O-CB 3.05Å; S323-L326 PolarHBondContact O-N 2.88Å; H324-L326 VanDerWaalsContact C-N 3.31Å; H324-L326 PolarHBondContact O-N 3.08Å; L326-G328 PolarHBondContact O-N 3.06Å; L326-L360 HydrophobicContact CD2-CB 4.42Å
327L73.5Confident83.7Confident100 Ų10046.6 Ų46.652%0.52426%0.264SS..THydrogen-bonded Turntrans-82.23.9175-57.3176.9000112.9H324 K325 F391H324-L327 WeakPolarHBondContact O-CB 2.92Å; H324-L327 PolarHBondContact O-N 2.82Å; H324-L327 VanDerWaalsContact O-N 3.15Å; K325-L327 PolarHBondContact O-N 3.43Å; L327-F391 HydrophobicContact CD2-CE2 4.31Å; L327-F391 HydrophobicContact CD2-CZ 4.4Å
328G73.2Confident82.6Confident62 Ų6252.8 Ų52.864%0.63929%0.29SS*.THydrogen-bonded Turntrans89.96.2178.800000114.4K325 L326K325-G328 PolarHBondContact O-N 3.44Å; L326-G328 PolarHBondContact O-N 3.06Å
329N74.7Confident81.2Confident83 Ų8355.8 Ų55.844%0.44430%0.304SS..PPolyproline II helixtrans-74.3150.1176.8-662.6000111.1H324 K325H324-N329 HydrophobicContact CB-CB 4.37Å; H324-N329 VanDerWaalsContact O-CB 3.31Å; H324-N329 WeakPolarHBondContact O-CB 3.5Å; H324-N329 PolarHBondContact O-N 3.38Å; K325-N329 VanDerWaalsContact CD-O 3.29Å; K325-N329 WeakPolarHBondContact CD-O 3.31Å
330I77.8Confident79.4Confident150 Ų15057.1 Ų57.177%0.76933%0.327SS*.PPolyproline II helixtrans-88.8126.4176.2-59.4173.7000108.2
331I82.4Confident77.7Confident15 Ų1562.2 Ų62.28%0.07735%0.351CS..PPolyproline II helixtrans-79.8129168.7-50.9-54000108F322 H324 K325 V363 V364 F380F322-I331 HydrophobicContact CD1-CD1 3.99Å; F322-I331 HydrophobicContact CD1-CG1 4.26Å; F322-I331 HydrophobicContact CD1-CG2 4.09Å; F322-I331 HydrophobicContact CE1-CG2 4.01Å; H324-I331 VanDerWaalsContact CD2-CD1 3.5Å; H324-I331 WeakPolarHBondContact CD2-CD1 3.34Å; H324-I331 VanDerWaalsContact CE1-CD1 3.47Å; H324-I331 WeakPolarHBondContact CE1-CD1 3.45Å; H324-I331 WeakPolarHBondContact NE2-CD1 3.48Å; K325-I331 HydrophobicContact CB-CD1 4.11Å; K325-I331 HydrophobicContact CB-CG1 4.16Å; K325-I331 HydrophobicContact CD-CG1 4.2Å; K325-I331 HydrophobicContact CG-CG1 4.42Å; I331-V363 HydrophobicContact CG1-CG1 4.08Å; I331-V363 HydrophobicContact CG2-CG1 4.24Å; I331-V364 HydrophobicContact CB-CG2 4.28Å; I331-V364 HydrophobicContact CG2-CG2 4.2Å; I331-F380 HydrophobicContact CG2-CD1 3.77Å; I331-F380 HydrophobicContact CG2-CE1 3.77Å
332T78.5Confident76.1Confident71 Ų7166.1 Ų66.144%0.43638%0.377SS..PPolyproline II helixtrans-66.1150.5174.5460000111
333T80.9Confident74.5Confident93 Ų9373.2 Ų73.257%0.57142%0.42SS*.PPolyproline II helixtrans-56.9132.9175.8-51.10000110.5C367T333-C367 HydrophobicContact CG2-CB 4.11Å
334P89.6Confident73.3Confident8 Ų880.8 Ų80.85%0.05246%0.461CS..PPolyproline II helixtrans-72.8160.4179.630.5-35.6000112L352 L369 L378 L379 F380P334-L352 HydrophobicContact CG-CD1 3.6Å; P334-L369 HydrophobicContact CG-CD2 4.45Å; P334-L378 HydrophobicContact CB-CB 4.25Å; P334-L378 HydrophobicContact CB-CD2 4.35Å; P334-L378 HydrophobicContact CG-CD2 4.31Å; P334-L379 CarbonylContact C-O 3.51Å; P334-L379 VanDerWaalsContact CA-O 3.31Å; P334-L379 WeakPolarHBondContact CA-O 3.42Å; P334-L379 WeakPolarHBondContact CB-O 3.47Å; P334-F380 HydrophobicContact CB-CD1 4.05Å; P334-F380 HydrophobicContact CB-CD2 4.17Å; P334-F380 HydrophobicContact CB-CE1 3.73Å; P334-F380 HydrophobicContact CB-CE2 3.84Å; P334-F380 HydrophobicContact CB-CG 4.28Å; P334-F380 HydrophobicContact CB-CZ 3.64Å; P334-F380 HydrophobicContact CG-CE1 4.07Å; P334-F380 HydrophobicContact CG-CE2 4.48Å; P334-F380 HydrophobicContact CG-CZ 3.9Å
335L90.1Very high72.9Confident104 Ų10483.7 Ų83.755%0.54547%0.474SS..EExtended strand (participates in β ladder)trans-95.3136.4167-66.6162.3000108.9L379L335-L379 HydrophobicContact CB-CB 4.25Å; L335-L379 PolarHBondContact N-O 3.4Å; L335-L379 PolarHBondContact O-N 2.86Å
336V89.4Confident72.9Confident27 Ų2783.1 Ų83.116%0.16448%0.482CS..EExtended strand (participates in β ladder)trans-84.9122.9174.2-174.10000108.5H339 L369 P370 L372 L378V336-H339 HydrophobicContact CB-CB 3.87Å; V336-H339 HydrophobicContact CG1-CB 3.72Å; V336-L369 HydrophobicContact CG2-CD2 3.82Å; V336-P370 HydrophobicContact CG2-CG 4.24Å; V336-L372 HydrophobicContact CG1-CD2 3.65Å; V336-L372 HydrophobicContact CG2-CD2 4.1Å; V336-L378 HydrophobicContact CB-CD2 4.44Å; V336-L378 HydrophobicContact CG2-CD2 3.87Å
337H85.1Confident73.2Confident24 Ų2483.4 Ų83.411%0.11149%0.487CS..THydrogen-bonded Turntrans-67.3134.8179.9168.778.9000111.2D26 I29 H339 W377 L379D26-H337 IonicContact OD1-CE1 3.69Å; D26-H337 PolarHBondContact OD1-CE1 3.32Å; D26-H337 IonicContact OD1-ND1 3.97Å; D26-H337 PolarHBondContact OD1-ND1 2.67Å; D26-H337 VanDerWaalsContact OD1-ND1 3.08Å; D26-H337 IonicContact OD2-CE1 2.67Å; I29-H337 HydrophobicContact CD1-CB 4.12Å; I29-H337 WeakPolarHBondContact CD1-ND1 3.22Å; H337-H339 PolarHBondContact O-N 3.23Å; H337-H339 VanDerWaalsContact O-N 3.1Å; H337-W377 HydrophobicContact CB-CB 3.86Å; H337-W377 PolarHBondContact N-O 2.95Å; H337-W377 VanDerWaalsContact N-O 3.1Å; H337-L379 HydrophobicContact CB-CD1 4.35Å; H337-L379 HydrophobicContact CB-CG 4.31Å
338K67.9Low74Confident131 Ų13180.5 Ų80.557%0.5747%0.469SS*.THydrogen-bonded Turntrans56.118-179.3-72.8175.8-175.6145.90116.2D26 A340D26-K338 VanDerWaalsContact OD2-CE 3.22Å; D26-K338 WeakPolarHBondContact OD2-CE 3.42Å; D26-K338 IonicContact OD2-NZ 3.9Å; K338-A340 PolarHBondContact O-N 3.06Å
339H60.2Low74.9Confident64 Ų6478.5 Ų78.530%0.29645%0.445SS..  trans-9389.3164.5-106.677.4000109.3V336 H337 L341 E345V336-H339 HydrophobicContact CB-CB 3.87Å; V336-H339 HydrophobicContact CG1-CB 3.72Å; H337-H339 PolarHBondContact O-N 3.23Å; H337-H339 VanDerWaalsContact O-N 3.1Å; H339-L341 VanDerWaalsContact C-N 3.29Å; H339-L341 PolarHBondContact O-N 3.4Å; H339-E345 IonicContact CD2-OE1 3.58Å; H339-E345 IonicContact CD2-OE2 3.14Å; H339-E345 PolarHBondContact CD2-OE2 3.22Å; H339-E345 IonicContact NE2-OE1 2.93Å; H339-E345 PolarHBondContact NE2-OE1 3.08Å; H339-E345 IonicContact NE2-OE2 3.41Å; H339-E345 PolarHBondContact NE2-OE2 2.81Å
340A51.5Low75.9Confident87 Ų8774.7 Ų74.772%0.71943%0.425SS*.  trans-65.8100.9156.300000105.7K338 C342K338-A340 PolarHBondContact O-N 3.06Å; A340-C342 VanDerWaalsContact C-N 3.27Å; A340-C342 PolarHBondContact O-N 3.31Å
341L50.8Low76.7Confident117 Ų11768.2 Ų68.261%0.61339%0.393SS*.  trans-52.397.5173.1-76.8162.2000107.8H339 V343H339-L341 VanDerWaalsContact C-N 3.29Å; H339-L341 PolarHBondContact O-N 3.4Å; L341-V343 PolarHBondContact O-N 3.47Å
342C52.1Low77.3Confident94 Ų9467.5 Ų67.564%0.63539%0.389SS*.  trans-60.1136162.6-96.70000105.6A340 D344 E345A340-C342 VanDerWaalsContact C-N 3.27Å; A340-C342 PolarHBondContact O-N 3.31Å; C342-D344 PolarHBondContact O-N 2.86Å; C342-E345 PolarHBondContact O-N 3.1Å
343V54.8Low78.1Confident150 Ų15066.5 Ų66.591%0.90938%0.377SS*.THydrogen-bonded Turntrans-56-13.8-173.9-177.40000112.9L341L341-V343 PolarHBondContact O-N 3.47Å
344D60.6Low78.7Confident161 Ų16162 Ų6286%0.86135%0.35SS*.THydrogen-bonded Turntrans-110.18.2-177.8-67.3-35.6000115.3C342C342-D344 PolarHBondContact O-N 2.86Å
345E70.9Confident78.8Confident81 Ų8164.7 Ų64.738%0.37937%0.367SS..PPolyproline II helixtrans-80128.8-178.9-152.6171.5-169.200111.7H339 C342 V347H339-E345 IonicContact CD2-OE1 3.58Å; H339-E345 IonicContact CD2-OE2 3.14Å; H339-E345 PolarHBondContact CD2-OE2 3.22Å; H339-E345 IonicContact NE2-OE1 2.93Å; H339-E345 PolarHBondContact NE2-OE1 3.08Å; H339-E345 IonicContact NE2-OE2 3.41Å; H339-E345 PolarHBondContact NE2-OE2 2.81Å; C342-E345 PolarHBondContact O-N 3.1Å; E345-V347 PolarHBondContact O-N 3.43Å
346A82.9Confident78.7Confident56 Ų5662.2 Ų62.246%0.46336%0.359SS..PPolyproline II helixtrans-69.8125.2-177.600000110.8Y348A346-Y348 HydrophobicContact CB-CE2 3.99Å; A346-Y348 WeakPolarHBondContact O-CE2 3.45Å
347V89.4Confident78.3Confident74 Ų7467.6 Ų67.645%0.44839%0.386SS..EExtended strand (participates in β ladder)trans-100.5144.6172.8-64.90000110.7E345 F368 L369E345-V347 PolarHBondContact O-N 3.43Å; V347-F368 HydrophobicContact CB-CB 4.36Å; V347-F368 HydrophobicContact CG2-CB 4.41Å; V347-L369 WeakPolarHBondContact CA-O 3.41Å
348Y91Very high78.5Confident39 Ų3968.9 Ų68.915%0.15339%0.393CS..EExtended strand (participates in β ladder)trans-123.7146.6-175.7-60.2-90.2000110.7F310 A346 S350 F368 L369 E371F310-Y348 HydrophobicContact CD2-CD2 4.24Å; F310-Y348 AromaticContact CD2-CG 3.91Å; F310-Y348 HydrophobicContact CD2-CG 3.91Å; F310-Y348 AromaticContact CE2-CD1 3.92Å; F310-Y348 HydrophobicContact CE2-CD1 3.92Å; F310-Y348 AromaticContact CE2-CD2 3.63Å; F310-Y348 HydrophobicContact CE2-CD2 3.63Å; F310-Y348 HydrophobicContact CE2-CE1 4.44Å; F310-Y348 HydrophobicContact CE2-CE2 4.17Å; F310-Y348 AromaticContact CE2-CG 3.49Å; F310-Y348 HydrophobicContact CE2-CG 3.49Å; F310-Y348 VanDerWaalsContact CE2-CG 3.49Å; A346-Y348 HydrophobicContact CB-CE2 3.99Å; A346-Y348 WeakPolarHBondContact O-CE2 3.45Å; Y348-S350 PolarHBondContact O-N 2.72Å; Y348-S350 PolarHBondContact O-OG 2.99Å; Y348-F368 WeakPolarHBondContact O-CA 3.41Å; Y348-L369 PolarHBondContact N-O 3Å; Y348-L369 PolarHBondContact O-N 3.43Å; Y348-L369 VanDerWaalsContact O-N 3.12Å; Y348-E371 HydrophobicContact CD2-CB 4.35Å; Y348-E371 HydrophobicContact CE2-CB 4.14Å
349P93.4Very high79.4Confident20 Ų2071.1 Ų71.113%0.1341%0.406CS..EExtended strand (participates in β ladder)trans-59.9123.1167.626.2-34.4000110.3E309 F310 C367 F368E309-P349 VanDerWaalsContact CA-O 3.31Å; E309-P349 WeakPolarHBondContact CA-O 3.49Å; E309-P349 HydrophobicContact CB-CG 4.46Å; E309-P349 HydrophobicContact CG-CB 4.34Å; E309-P349 HydrophobicContact CG-CG 3.84Å; F310-P349 PolarHBondContact N-O 3.1Å; P349-C367 WeakPolarHBondContact CA-O 3.17Å; P349-F368 HydrophobicContact CB-CE1 4.29Å
350S94.1Very high80.8Confident3 Ų373.6 Ų73.62%0.02142%0.421CS..EExtended strand (participates in β ladder)trans-134.3147.6-173.7-620000111.7F310 Y348 R366 C367F310-S350 CarbonylContact O-C 3.58Å; F310-S350 WeakPolarHBondContact O-CA 3.37Å; Y348-S350 PolarHBondContact O-N 2.72Å; Y348-S350 PolarHBondContact O-OG 2.99Å; S350-R366 CarbonylContact O-C 3.54Å; S350-R366 WeakPolarHBondContact O-CA 3.42Å; S350-C367 PolarHBondContact N-O 3.02Å; S350-C367 PolarHBondContact O-N 3.31Å; S350-C367 PolarHBondContact O-SG 3.23Å; S350-C367 VanDerWaalsContact O-SG 3.33Å
351S94.1Very high82.7Confident14 Ų1469.6 Ų69.610%0.09839%0.387CS..EExtended strand (participates in β ladder)trans-121.5145.9170.461.40000110.6F310 L311 Y312 W353 V364 D365F310-S351 PolarHBondContact O-N 3.4Å; L311-S351 WeakPolarHBondContact CG-OG 3.41Å; Y312-S351 PolarHBondContact N-O 3.26Å; S351-W353 PolarHBondContact OG-NE1 3.3Å; S351-V364 WeakPolarHBondContact CA-O 3.21Å; S351-D365 WeakPolarHBondContact CB-O 3.32Å
352L95.4Very high84.7Confident0 Ų066.3 Ų66.30%037%0.369CS..EExtended strand (participates in β ladder)trans-116.7128.8-176-53178.1000110.1Y312 M314 P334 V363 V364 L369 L378 F380Y312-L352 HydrophobicContact CD2-CD2 3.98Å; Y312-L352 HydrophobicContact CG-CD2 4.36Å; Y312-L352 WeakPolarHBondContact O-CA 3.22Å; M314-L352 HydrophobicContact CE-CB 3.95Å; M314-L352 HydrophobicContact SD-CB 4.13Å; M314-L352 HydrophobicContact SD-CD1 4.31Å; P334-L352 HydrophobicContact CG-CD1 3.6Å; L352-V363 PolarHBondContact O-N 3.1Å; L352-V364 HydrophobicContact CB-CB 3.96Å; L352-V364 HydrophobicContact CB-CG2 4.31Å; L352-V364 HydrophobicContact CD1-CB 4.02Å; L352-V364 HydrophobicContact CD1-CG2 3.86Å; L352-V364 HydrophobicContact CG-CB 4.05Å; L352-V364 HydrophobicContact CG-CG2 4.4Å; L352-V364 PolarHBondContact N-O 2.92Å; L352-V364 PolarHBondContact O-N 2.8Å; L352-V364 VanDerWaalsContact O-N 3.1Å; L352-L369 HydrophobicContact CD2-CD1 3.99Å; L352-L378 HydrophobicContact CD1-CD1 4.18Å; L352-L378 HydrophobicContact CD2-CD1 4.01Å; L352-F380 HydrophobicContact CD1-CE1 4.47Å; L352-F380 HydrophobicContact CD1-CZ 3.84Å
353W95.4Very high86.6Confident49 Ų4961.9 Ų61.919%0.18634%0.339CS..EExtended strand (participates in β ladder)trans-124.7148.7-173.6-62.278.7000109.8Y312 Y313 M314 S351 D361 Q362Y312-W353 PolarHBondContact O-N 3.2Å; Y313-W353 CarbonylContact C-O 3.53Å; Y313-W353 WeakPolarHBondContact CA-O 3.15Å; Y313-W353 HydrophobicContact CD1-CB 3.67Å; Y313-W353 HydrophobicContact CD1-CG 4.4Å; Y313-W353 HydrophobicContact CE1-CB 3.95Å; Y313-W353 HydrophobicContact CE1-CG 4.24Å; Y313-W353 HydrophobicContact CG-CB 4.38Å; M314-W353 PolarHBondContact N-O 3.02Å; S351-W353 PolarHBondContact OG-NE1 3.3Å; W353-D361 CarbonylContact C-O 3.6Å; W353-D361 WeakPolarHBondContact CA-O 3.35Å; W353-Q362 HydrophobicContact CD2-CB 4.26Å; W353-Q362 HydrophobicContact CD2-CG 4.08Å; W353-Q362 HydrophobicContact CE3-CB 3.86Å; W353-Q362 HydrophobicContact CE3-CG 4.16Å; W353-Q362 HydrophobicContact CH2-CB 3.96Å; W353-Q362 HydrophobicContact CH2-CG 3.9Å; W353-Q362 HydrophobicContact CZ2-CB 4.35Å; W353-Q362 HydrophobicContact CZ2-CG 3.8Å; W353-Q362 HydrophobicContact CZ3-CB 3.7Å; W353-Q362 HydrophobicContact CZ3-CG 4.08Å
354G94Very high88.5Confident0 Ų055.3 Ų55.30%030%0.299CS..  trans-81.4-177.7170.100000112.9E316 S356 D361E316-G354 WeakPolarHBondContact O-CA 3.41Å; G354-S356 PolarHBondContact O-N 3.15Å; G354-D361 VanDerWaalsContact CA-CG 3.42Å; G354-D361 WeakPolarHBondContact CA-OD1 3.47Å; G354-D361 WeakPolarHBondContact CA-OD2 3.29Å; G354-D361 PolarHBondContact N-O 3.47Å
355P92.6Very high89.9Confident63 Ų6352.6 Ų52.641%0.40929%0.285SS..THydrogen-bonded Turntrans-82.1-8.2-170.932.4-35.8000114.3I287 M314 L357 D361I287-P355 HydrophobicContact CD1-CB 4.15Å; M314-P355 WeakPolarHBondContact O-CD 3.18Å; P355-L357 VanDerWaalsContact C-N 3.27Å; P355-L357 PolarHBondContact O-N 3.41Å; P355-D361 WeakPolarHBondContact CD-OD2 3.41Å; P355-D361 VanDerWaalsContact N-OD2 3.16Å
356S88.1Confident90.9Very high53 Ų5356.1 Ų56.137%0.37129%0.294SS..THydrogen-bonded Turntrans-76.1-13.6-17183.40000114.2G354 D358 D361G354-S356 PolarHBondContact O-N 3.15Å; S356-D358 PolarHBondContact O-N 3.21Å; S356-D358 PolarHBondContact OG-N 2.85Å; S356-D358 PolarHBondContact OG-OD2 2.92Å; S356-D361 VanDerWaalsContact CB-OD2 3.28Å; S356-D361 WeakPolarHBondContact CB-OD2 3.29Å; S356-D361 PolarHBondContact N-OD2 2.94Å; S356-D361 WeakPolarHBondContact OG-CB 3.17Å; S356-D361 PolarHBondContact OG-OD2 3.08Å
357L80.6Confident91.3Very high139 Ų13953.7 Ų53.773%0.72827%0.274SS*.  trans57.220.8-175-56174.7000114Y313 P355Y313-L357 HydrophobicContact CD1-CD2 3.86Å; Y313-L357 HydrophobicContact CE1-CD2 3.72Å; P355-L357 VanDerWaalsContact C-N 3.27Å; P355-L357 PolarHBondContact O-N 3.41Å
358D88.6Confident91.5Very high51 Ų5156.2 Ų56.227%0.27328%0.279SS..SBendtrans-97.1160.5170.776.957.9000112.4Y319 S356 L360 D361Y319-D358 WeakPolarHBondContact CE2-OD2 3.42Å; Y319-D358 VanDerWaalsContact CZ-OD2 3.22Å; Y319-D358 VanDerWaalsContact OH-CG 3.3Å; Y319-D358 PolarHBondContact OH-OD1 3.17Å; Y319-D358 PolarHBondContact OH-OD2 2.9Å; S356-D358 PolarHBondContact O-N 3.21Å; S356-D358 PolarHBondContact OG-N 2.85Å; S356-D358 PolarHBondContact OG-OD2 2.92Å; D358-L360 PolarHBondContact O-N 3.11Å; D358-L360 WeakPolarHBondContact OD1-CA 3.4Å; D358-L360 WeakPolarHBondContact OD1-CB 3.04Å; D358-L360 PolarHBondContact OD1-N 3.07Å; D358-D361 PolarHBondContact O-N 3.04Å; D358-D361 PolarHBondContact OD1-N 3.28Å
359Q87.3Confident91.5Very high178 Ų17854.6 Ų54.683%0.83227%0.273SS*.THydrogen-bonded Turntrans-70.3-18.1-175.2-67.4-178.1-5.700113.8
360L89.3Confident91.4Very high117 Ų11753.8 Ų53.861%0.61327%0.268SS*.THydrogen-bonded Turntrans-85.8-21.7177.8-60.3177.9000111.3L326 D358 Q362L326-L360 HydrophobicContact CD2-CB 4.42Å; D358-L360 PolarHBondContact O-N 3.11Å; D358-L360 WeakPolarHBondContact OD1-CA 3.4Å; D358-L360 WeakPolarHBondContact OD1-CB 3.04Å; D358-L360 PolarHBondContact OD1-N 3.07Å; L360-Q362 PolarHBondContact O-N 3.36Å
361D91.9Very high91.3Very high2 Ų258.2 Ų58.21%0.01129%0.288CS..  trans-75.833.7177.8-152.812.1000113.9G317 V318 Y319 W353 G354 P355 S356 D358G317-D361 VanDerWaalsContact CA-OD1 3.23Å; G317-D361 WeakPolarHBondContact CA-OD1 3.36Å; V318-D361 HydrophobicContact CG2-CB 4.25Å; V318-D361 WeakPolarHBondContact CG2-OD1 3.42Å; V318-D361 PolarHBondContact N-OD1 2.68Å; Y319-D361 HydrophobicContact CD2-CB 4.5Å; Y319-D361 HydrophobicContact CE2-CB 4.06Å; W353-D361 CarbonylContact C-O 3.6Å; W353-D361 WeakPolarHBondContact CA-O 3.35Å; G354-D361 VanDerWaalsContact CA-CG 3.42Å; G354-D361 WeakPolarHBondContact CA-OD1 3.47Å; G354-D361 WeakPolarHBondContact CA-OD2 3.29Å; G354-D361 PolarHBondContact N-O 3.47Å; P355-D361 WeakPolarHBondContact CD-OD2 3.41Å; P355-D361 VanDerWaalsContact N-OD2 3.16Å; S356-D361 VanDerWaalsContact CB-OD2 3.28Å; S356-D361 WeakPolarHBondContact CB-OD2 3.29Å; S356-D361 PolarHBondContact N-OD2 2.94Å; S356-D361 WeakPolarHBondContact OG-CB 3.17Å; S356-D361 PolarHBondContact OG-OD2 3.08Å; D358-D361 PolarHBondContact O-N 3.04Å; D358-D361 PolarHBondContact OD1-N 3.28Å
362Q92.4Very high91.2Very high49 Ų4957.6 Ų57.623%0.22928%0.284CS..EExtended strand (participates in β ladder)trans-91.2108.1170.9-163.9-174.53000109W353 L360 D365W353-Q362 HydrophobicContact CD2-CB 4.26Å; W353-Q362 HydrophobicContact CD2-CG 4.08Å; W353-Q362 HydrophobicContact CE3-CB 3.86Å; W353-Q362 HydrophobicContact CE3-CG 4.16Å; W353-Q362 HydrophobicContact CH2-CB 3.96Å; W353-Q362 HydrophobicContact CH2-CG 3.9Å; W353-Q362 HydrophobicContact CZ2-CB 4.35Å; W353-Q362 HydrophobicContact CZ2-CG 3.8Å; W353-Q362 HydrophobicContact CZ3-CB 3.7Å; W353-Q362 HydrophobicContact CZ3-CG 4.08Å; L360-Q362 PolarHBondContact O-N 3.36Å; Q362-D365 PolarHBondContact NE2-OD1 3.13Å
363V92.6Very high91.1Very high1 Ų162.7 Ų62.71%0.00631%0.311CS..EExtended strand (participates in β ladder)trans-79.6-50.3-177.6-178.90000110.5M314 V318 F322 I331 L352M314-V363 HydrophobicContact CE-CB 3.87Å; M314-V363 HydrophobicContact CE-CG1 4.11Å; M314-V363 HydrophobicContact CE-CG2 3.75Å; V318-V363 HydrophobicContact CG1-CG2 4.14Å; F322-V363 HydrophobicContact CB-CG1 4.03Å; F322-V363 HydrophobicContact CB-CG2 4.25Å; F322-V363 HydrophobicContact CD1-CG1 3.48Å; F322-V363 VanDerWaalsContact CD1-CG1 3.48Å; F322-V363 HydrophobicContact CD2-CG1 3.89Å; F322-V363 HydrophobicContact CD2-CG2 3.94Å; F322-V363 HydrophobicContact CE1-CG1 3.79Å; F322-V363 HydrophobicContact CE2-CG1 4.15Å; F322-V363 HydrophobicContact CG-CG1 3.53Å; F322-V363 HydrophobicContact CG-CG2 4.13Å; F322-V363 HydrophobicContact CZ-CG1 4.1Å; I331-V363 HydrophobicContact CG1-CG1 4.08Å; I331-V363 HydrophobicContact CG2-CG1 4.24Å; L352-V363 PolarHBondContact O-N 3.1Å
364V93.1Very high91Very high11 Ų1164.8 Ų64.87%0.06733%0.328CS..EExtended strand (participates in β ladder)trans-127.5117178.1-177.70000109.2I331 S351 L352 C367 F380I331-V364 HydrophobicContact CB-CG2 4.28Å; I331-V364 HydrophobicContact CG2-CG2 4.2Å; S351-V364 WeakPolarHBondContact CA-O 3.21Å; L352-V364 HydrophobicContact CB-CB 3.96Å; L352-V364 HydrophobicContact CB-CG2 4.31Å; L352-V364 HydrophobicContact CD1-CB 4.02Å; L352-V364 HydrophobicContact CD1-CG2 3.86Å; L352-V364 HydrophobicContact CG-CB 4.05Å; L352-V364 HydrophobicContact CG-CG2 4.4Å; L352-V364 PolarHBondContact N-O 2.92Å; L352-V364 PolarHBondContact O-N 2.8Å; L352-V364 VanDerWaalsContact O-N 3.1Å; V364-C367 HydrophobicContact CG1-CB 3.94Å; V364-F380 HydrophobicContact CG2-CE1 4.28Å
365D90.8Very high90.9Very high105 Ų10565.6 Ų65.656%0.56134%0.337SS*.EExtended strand (participates in β ladder)trans-66.8-46.9-177.9-179.135.3000112.1S351 Q362S351-D365 WeakPolarHBondContact CB-O 3.32Å; Q362-D365 PolarHBondContact NE2-OD1 3.13Å
366R91.2Very high90.9Very high154 Ų15464.9 Ų64.958%0.58133%0.329SS*.EExtended strand (participates in β ladder)trans-150.3129.4178.5-165.5173-176.61733.6112S350S350-R366 CarbonylContact O-C 3.54Å; S350-R366 WeakPolarHBondContact O-CA 3.42Å
367C92.8Very high91.2Very high6 Ų662.8 Ų62.84%0.04131%0.313CS..EExtended strand (participates in β ladder)trans-143.7173.2171.860.60000110.2T333 P349 S350 V364T333-C367 HydrophobicContact CG2-CB 4.11Å; P349-C367 WeakPolarHBondContact CA-O 3.17Å; S350-C367 PolarHBondContact N-O 3.02Å; S350-C367 PolarHBondContact O-N 3.31Å; S350-C367 PolarHBondContact O-SG 3.23Å; S350-C367 VanDerWaalsContact O-SG 3.33Å; V364-C367 HydrophobicContact CG1-CB 3.94Å
368F91.9Very high91.9Very high126 Ų12656.1 Ų56.155%0.55328%0.279SS*.EExtended strand (participates in β ladder)trans-115.2119.7174.6-70.6-87000108.8V347 Y348 P349V347-F368 HydrophobicContact CB-CB 4.36Å; V347-F368 HydrophobicContact CG2-CB 4.41Å; Y348-F368 WeakPolarHBondContact O-CA 3.41Å; P349-F368 HydrophobicContact CB-CE1 4.29Å
369L91.5Very high92.2Very high5 Ų554.7 Ų54.73%0.02627%0.271CS..EExtended strand (participates in β ladder)trans-133.4150.3-177.7-64.3172.5000109.4P334 V336 V347 Y348 L352 L372P334-L369 HydrophobicContact CG-CD2 4.45Å; V336-L369 HydrophobicContact CG2-CD2 3.82Å; V347-L369 WeakPolarHBondContact CA-O 3.41Å; Y348-L369 PolarHBondContact N-O 3Å; Y348-L369 PolarHBondContact O-N 3.43Å; Y348-L369 VanDerWaalsContact O-N 3.12Å; L352-L369 HydrophobicContact CD2-CD1 3.99Å; L369-L372 HydrophobicContact CD1-CD1 4.15Å
370P91.6Very high92.5Very high4 Ų446.3 Ų46.33%0.02623%0.232CC..EExtended strand (participates in β ladder)trans-58.6163.9162.429.4-34.9000109.9V336 L372V336-P370 HydrophobicContact CG2-CG 4.24Å; P370-L372 HydrophobicContact CG-CD2 4.2Å; P370-L372 PolarHBondContact O-N 2.92Å
371E91.9Very high92.6Very high96 Ų9642.8 Ų42.845%0.44922%0.217SC..  trans-65.7111174.7-178.3176.6-176.200110.3K289 F310 Y348K289-E371 IonicContact NZ-OE1 2.66Å; K289-E371 PolarHBondContact NZ-OE1 3.36Å; F310-E371 HydrophobicContact CE1-CG 4.22Å; F310-E371 HydrophobicContact CE2-CB 4.08Å; F310-E371 HydrophobicContact CE2-CG 4.02Å; F310-E371 HydrophobicContact CZ-CB 4.2Å; F310-E371 HydrophobicContact CZ-CG 3.68Å; Y348-E371 HydrophobicContact CD2-CB 4.35Å; Y348-E371 HydrophobicContact CE2-CB 4.14Å
372L92.7Very high92.5Very high0 Ų046.5 Ų46.50%024%0.237CC..  trans-87.6158.2175.7-49.6176.2000112.2V286 K289 Y312 V336 L369 P370 D376 L378V286-L372 HydrophobicContact CG2-CD1 4.2Å; K289-L372 WeakPolarHBondContact CD-O 3.44Å; K289-L372 WeakPolarHBondContact CE-O 3.4Å; K289-L372 PolarHBondContact NZ-O 3.42Å; Y312-L372 HydrophobicContact CD1-CB 4.28Å; Y312-L372 HydrophobicContact CD2-CD1 4.22Å; Y312-L372 HydrophobicContact CE1-CB 3.65Å; Y312-L372 HydrophobicContact CE1-CG 4.38Å; Y312-L372 HydrophobicContact CE2-CB 4.36Å; Y312-L372 HydrophobicContact CE2-CD1 4.09Å; Y312-L372 HydrophobicContact CE2-CG 4.21Å; Y312-L372 PolarHBondContact OH-N 3.29Å; V336-L372 HydrophobicContact CG1-CD2 3.65Å; V336-L372 HydrophobicContact CG2-CD2 4.1Å; L369-L372 HydrophobicContact CD1-CD1 4.15Å; P370-L372 HydrophobicContact CG-CD2 4.2Å; P370-L372 PolarHBondContact O-N 2.92Å; L372-D376 WeakPolarHBondContact CA-OD2 3.46Å; L372-D376 HydrophobicContact CB-CB 4.46Å; L372-L378 HydrophobicContact CD1-CD1 4.23Å; L372-L378 HydrophobicContact CD1-CD2 3.82Å; L372-L378 HydrophobicContact CD1-CG 4.27Å
373L93Very high92.3Very high108 Ų10844.8 Ų44.857%0.56523%0.229SC*.  trans-109.8158.9172.2-60.1178.8000111.1G375 D376L373-G375 PolarHBondContact O-N 3.32Å; L373-D376 PolarHBondContact N-OD2 3.09Å; L373-D376 WeakPolarHBondContact O-CB 3.46Å; L373-D376 PolarHBondContact O-N 3.33Å
374V93.6Very high91.9Very high92 Ų9244.7 Ų44.756%0.55823%0.229SC*.THydrogen-bonded Turntrans-64.6127.4170.7175.60000108.5V286 K289V286-V374 CarbonylContact O-C 3.56Å; K289-V374 HydrophobicContact CB-CG2 4.23Å
375G90.9Very high91.1Very high17 Ų1745.5 Ų45.518%0.17523%0.234CC..THydrogen-bonded Turntrans101.3-8.8-17500000114.6K37 V286 L373K37-G375 PolarHBondContact NZ-O 2.87Å; V286-G375 PolarHBondContact O-N 2.8Å; L373-G375 PolarHBondContact O-N 3.32Å
376D93.4Very high89.5Confident48 Ų4841.8 Ų41.826%0.25722%0.215SC..  trans-70.1154.2173-69.4-8.1000111.1S285 V286 L372 L373S285-D376 WeakPolarHBondContact CA-O 3.49Å; V286-D376 PolarHBondContact N-O 3.2Å; L372-D376 WeakPolarHBondContact CA-OD2 3.46Å; L372-D376 HydrophobicContact CB-CB 4.46Å; L373-D376 PolarHBondContact N-OD2 3.09Å; L373-D376 WeakPolarHBondContact O-CB 3.46Å; L373-D376 PolarHBondContact O-N 3.33Å
377W94.4Very high87.4Confident9 Ų935.6 Ų35.63%0.03420%0.2CC..EExtended strand (participates in β ladder)trans-107.8136.9-175.7-7191.1000112.2I29 Q32 D33 K37 S38 F40 A283 V284 H337I29-W377 HydrophobicContact CD1-CB 3.98Å; I29-W377 HydrophobicContact CD1-CD2 4.22Å; I29-W377 HydrophobicContact CD1-CG 3.99Å; I29-W377 HydrophobicContact CG1-CD2 3.98Å; I29-W377 HydrophobicContact CG1-CE3 4.26Å; I29-W377 HydrophobicContact CG1-CG 4.17Å; I29-W377 HydrophobicContact CG2-CD2 4.34Å; I29-W377 HydrophobicContact CG2-CG 4.09Å; Q32-W377 HydrophobicContact CB-CH2 3.99Å; Q32-W377 HydrophobicContact CB-CZ2 3.91Å; D33-W377 PolarHBondContact OD1-NE1 3.02Å; K37-W377 HydrophobicContact CB-CZ2 4.21Å; K37-W377 HydrophobicContact CG-CZ2 4.24Å; S38-W377 WeakPolarHBondContact O-CH2 3.47Å; F40-W377 HydrophobicContact CD1-CH2 4.07Å; F40-W377 AromaticContact CD1-CZ3 3.97Å; F40-W377 HydrophobicContact CD1-CZ3 3.97Å; F40-W377 HydrophobicContact CE1-CE3 4.45Å; F40-W377 AromaticContact CE1-CH2 3.89Å; F40-W377 HydrophobicContact CE1-CH2 3.89Å; F40-W377 AromaticContact CE1-CZ3 3.76Å; F40-W377 HydrophobicContact CE1-CZ3 3.76Å; A283-W377 HydrophobicContact CB-CE3 4.01Å; A283-W377 HydrophobicContact CB-CZ3 4.08Å; V284-W377 WeakPolarHBondContact O-CA 3.46Å; H337-W377 HydrophobicContact CB-CB 3.86Å; H337-W377 PolarHBondContact N-O 2.95Å; H337-W377 VanDerWaalsContact N-O 3.1Å
378L95.1Very high84.8Confident0 Ų039.5 Ų39.50%022%0.22CC..EExtended strand (participates in β ladder)trans-116135.9172.7-67175.5000109.5V284 V286 M314 P334 V336 L352 L372 F380V284-L378 HydrophobicContact CG2-CB 3.88Å; V284-L378 PolarHBondContact N-O 3.22Å; V284-L378 PolarHBondContact O-N 2.77Å; V286-L378 HydrophobicContact CG2-CD1 4.25Å; V286-L378 HydrophobicContact CG2-CG 4.46Å; M314-L378 HydrophobicContact SD-CD1 4.02Å; P334-L378 HydrophobicContact CB-CB 4.25Å; P334-L378 HydrophobicContact CB-CD2 4.35Å; P334-L378 HydrophobicContact CG-CD2 4.31Å; V336-L378 HydrophobicContact CB-CD2 4.44Å; V336-L378 HydrophobicContact CG2-CD2 3.87Å; L352-L378 HydrophobicContact CD1-CD1 4.18Å; L352-L378 HydrophobicContact CD2-CD1 4.01Å; L372-L378 HydrophobicContact CD1-CD1 4.23Å; L372-L378 HydrophobicContact CD1-CD2 3.82Å; L372-L378 HydrophobicContact CD1-CG 4.27Å; L378-F380 HydrophobicContact CB-CE2 4.02Å
379L94.8Very high82.4Confident21 Ų2138 Ų3811%0.1121%0.214CC..EExtended strand (participates in β ladder)trans-109.4128179.2-54.4179.6000109.8I25 I29 T281 L282 A283 P334 L335 H337I25-L379 HydrophobicContact CG2-CD1 4.06Å; I25-L379 HydrophobicContact CG2-CD2 3.66Å; I29-L379 HydrophobicContact CD1-CD2 4.23Å; T281-L379 HydrophobicContact CG2-CB 4.38Å; L282-L379 WeakPolarHBondContact O-CA 3.37Å; A283-L379 HydrophobicContact CB-CD2 3.67Å; P334-L379 CarbonylContact C-O 3.51Å; P334-L379 VanDerWaalsContact CA-O 3.31Å; P334-L379 WeakPolarHBondContact CA-O 3.42Å; P334-L379 WeakPolarHBondContact CB-O 3.47Å; L335-L379 HydrophobicContact CB-CB 4.25Å; L335-L379 PolarHBondContact N-O 3.4Å; L335-L379 PolarHBondContact O-N 2.86Å; H337-L379 HydrophobicContact CB-CD1 4.35Å; H337-L379 HydrophobicContact CB-CG 4.31Å
380F93.6Very high79.8Confident1 Ų144.6 Ų44.60%0.00425%0.245CC..EExtended strand (participates in β ladder)trans-113.9109.1175-69.2-96.7000109.1T281 L282 V284 M314 F322 I331 P334 L352 V364 L378 M383T281-F380 WeakPolarHBondContact CA-O 3.06Å; L282-F380 HydrophobicContact CB-CB 4.36Å; L282-F380 PolarHBondContact N-O 3.23Å; L282-F380 PolarHBondContact O-N 3.28Å; V284-F380 HydrophobicContact CG2-CD2 4.02Å; V284-F380 HydrophobicContact CG2-CE2 3.61Å; M314-F380 HydrophobicContact CE-CZ 4.3Å; M314-F380 HydrophobicContact SD-CE2 3.91Å; M314-F380 HydrophobicContact SD-CZ 3.97Å; F322-F380 HydrophobicContact CE1-CB 4.32Å; F322-F380 AromaticContact CE1-CD1 3.67Å; F322-F380 HydrophobicContact CE1-CD1 3.67Å; F322-F380 HydrophobicContact CE1-CD2 4.21Å; F322-F380 AromaticContact CE1-CE1 3.9Å; F322-F380 HydrophobicContact CE1-CE1 3.9Å; F322-F380 HydrophobicContact CE1-CE2 4.43Å; F322-F380 AromaticContact CE1-CG 3.81Å; F322-F380 HydrophobicContact CE1-CG 3.81Å; F322-F380 HydrophobicContact CE1-CZ 4.26Å; F322-F380 HydrophobicContact CZ-CB 4.46Å; F322-F380 AromaticContact CZ-CD1 3.99Å; F322-F380 HydrophobicContact CZ-CD1 3.99Å; F322-F380 AromaticContact CZ-CD2 3.71Å; F322-F380 HydrophobicContact CZ-CD2 3.71Å; F322-F380 HydrophobicContact CZ-CE1 4.06Å; F322-F380 AromaticContact CZ-CE2 3.79Å; F322-F380 HydrophobicContact CZ-CE2 3.79Å; F322-F380 AromaticContact CZ-CG 3.8Å; F322-F380 HydrophobicContact CZ-CG 3.8Å; F322-F380 AromaticContact CZ-CZ 3.95Å; F322-F380 HydrophobicContact CZ-CZ 3.95Å; I331-F380 HydrophobicContact CG2-CD1 3.77Å; I331-F380 HydrophobicContact CG2-CE1 3.77Å; P334-F380 HydrophobicContact CB-CD1 4.05Å; P334-F380 HydrophobicContact CB-CD2 4.17Å; P334-F380 HydrophobicContact CB-CE1 3.73Å; P334-F380 HydrophobicContact CB-CE2 3.84Å; P334-F380 HydrophobicContact CB-CG 4.28Å; P334-F380 HydrophobicContact CB-CZ 3.64Å; P334-F380 HydrophobicContact CG-CE1 4.07Å; P334-F380 HydrophobicContact CG-CE2 4.48Å; P334-F380 HydrophobicContact CG-CZ 3.9Å; L352-F380 HydrophobicContact CD1-CE1 4.47Å; L352-F380 HydrophobicContact CD1-CZ 3.84Å; V364-F380 HydrophobicContact CG2-CE1 4.28Å; L378-F380 HydrophobicContact CB-CE2 4.02Å; F380-M383 HydrophobicContact CB-CG 3.73Å; F380-M383 HydrophobicContact CB-SD 4.19Å; F380-M383 WeakPolarHBondContact O-CG 3.35Å
381S91.3Very high76.9Confident43 Ų4347.9 Ų47.930%0.30126%0.259SS..  trans-76.9168.2171.4-49.70000111.4M383S381-M383 VanDerWaalsContact C-N 3.31Å; S381-M383 PolarHBondContact O-N 3.37Å
382N89.1Confident74Confident80 Ų8047.7 Ų47.743%0.42827%0.269SS..SBendtrans63.231.2178.6-55.9-54000114.5A277 S278 F280A277-N382 CarbonylContact O-C 3.58Å; A277-N382 WeakPolarHBondContact O-CA 3.4Å; S278-N382 WeakPolarHBondContact CA-OD1 3.32Å; S278-N382 WeakPolarHBondContact CB-OD1 3.38Å; F280-N382 PolarHBondContact O-N 2.93Å
383M89.3Confident70.7Confident13 Ų1353.9 Ų53.96%0.06431%0.31CS..  trans-95.616.6-173.7-69.2-62.7-67.900113.6A277 F280 L282 S321 F322 F380 S381A277-M383 PolarHBondContact O-N 3.14Å; F280-M383 PolarHBondContact O-N 3.41Å; L282-M383 HydrophobicContact CB-CB 4.03Å; L282-M383 HydrophobicContact CB-CE 4.5Å; L282-M383 HydrophobicContact CB-CG 3.89Å; L282-M383 HydrophobicContact CD2-CE 3.8Å; S321-M383 WeakPolarHBondContact O-CE 3.36Å; F322-M383 HydrophobicContact CD1-CE 3.59Å; F322-M383 HydrophobicContact CD1-SD 4.3Å; F322-M383 HydrophobicContact CE1-CE 3.52Å; F322-M383 HydrophobicContact CE1-SD 4.03Å; F322-M383 HydrophobicContact CG-CE 4.32Å; F322-M383 HydrophobicContact CZ-CE 4.2Å; F380-M383 HydrophobicContact CB-CG 3.73Å; F380-M383 HydrophobicContact CB-SD 4.19Å; F380-M383 WeakPolarHBondContact O-CG 3.35Å; S381-M383 VanDerWaalsContact C-N 3.31Å; S381-M383 PolarHBondContact O-N 3.37Å
384G83.9Confident67.5Low0 Ų053.2 Ų53.20%031%0.311CS..  trans-83.2-13.4-174.900000115.7N71 V276 A277 C386N71-G384 WeakPolarHBondContact CB-O 3.29Å; N71-G384 PolarHBondContact ND2-O 3.05Å; V276-G384 WeakPolarHBondContact CG2-O 3.47Å; V276-G384 VanDerWaalsContact O-CA 3.29Å; V276-G384 WeakPolarHBondContact O-CA 3.43Å; A277-G384 PolarHBondContact O-N 3.12Å; G384-C386 PolarHBondContact O-N 2.82Å
385T76.3Confident64.3Low28 Ų2851.6 Ų51.617%0.17230%0.303CS..  trans-85.492.2169.954.30000108.6C70 C273 V276 A277 G387C70-T385 WeakPolarHBondContact O-CA 3.14Å; C273-T385 HydrophobicContact CB-CG2 3.66Å; C273-T385 WeakPolarHBondContact SG-CG2 3.22Å; V276-T385 HydrophobicContact CG2-CG2 3.98Å; A277-T385 HydrophobicContact CB-CG2 4Å; T385-G387 PolarHBondContact O-N 3.33Å
386C57.3Low61.1Low26 Ų2658.2 Ų58.218%0.17634%0.34CS..  trans-89.6111.2178.6-69.90000109C70 G384 L388C70-C386 PolarHBondContact O-N 2.81Å; G384-C386 PolarHBondContact O-N 2.82Å; C386-L388 HydrophobicContact CB-CB 3.86Å; C386-L388 HydrophobicContact CB-CD1 3.45Å; C386-L388 VanDerWaalsContact CB-CD1 3.45Å; C386-L388 HydrophobicContact CB-CG 3.68Å; C386-L388 PolarHBondContact O-N 2.92Å; C386-L388 VanDerWaalsContact SG-CD1 3.53Å
387G47.4Very low58.3Low25 Ų2559.2 Ų59.226%0.25835%0.35SS..  trans-7027.9159.200000112.5S323 T385 E389S323-G387 PolarHBondContact OG-O 3.1Å; T385-G387 PolarHBondContact O-N 3.33Å; G387-E389 PolarHBondContact O-N 2.88Å
388L38.4Very low55.9Low87 Ų8763.4 Ų63.446%0.45538%0.381SS..THydrogen-bonded Turntrans-64.6-23.6-168.8-91.1165.3000112.5C386C386-L388 HydrophobicContact CB-CB 3.86Å; C386-L388 HydrophobicContact CB-CD1 3.45Å; C386-L388 VanDerWaalsContact CB-CD1 3.45Å; C386-L388 HydrophobicContact CB-CG 3.68Å; C386-L388 PolarHBondContact O-N 2.92Å; C386-L388 VanDerWaalsContact SG-CD1 3.53Å
389E40.3Very low54.7Low95 Ų9572.7 Ų72.744%0.44442%0.424SS..THydrogen-bonded Turntrans-96.5-13.4-172.6-65.2-162.8166.300115.4S72 G387S72-E389 VanDerWaalsContact CB-OE1 3.29Å; S72-E389 WeakPolarHBondContact CB-OE1 3.23Å; S72-E389 VanDerWaalsContact OG-CD 3.24Å; S72-E389 PolarHBondContact OG-OE1 2.75Å; G387-E389 PolarHBondContact O-N 2.88Å
390E36.9Very low54.1Low144 Ų14473.3 Ų73.367%0.67343%0.428SS*.THydrogen-bonded Turntrans-86.6-19.8176.8-76.2-174.4172.700113.2
391F32.4Very low53.8Low72 Ų7275.6 Ų75.632%0.31644%0.442SS..SBendtrans-121.55.5-172.7-67.8-79.1000115.8L327 C393 V394L327-F391 HydrophobicContact CD2-CE2 4.31Å; L327-F391 HydrophobicContact CD2-CZ 4.4Å; F391-C393 PolarHBondContact O-N 3.17Å; F391-V394 PolarHBondContact O-N 2.87Å
392S29.2Very low53.7Low93 Ų9376.3 Ų76.365%0.6545%0.445SS*.THydrogen-bonded Turntrans-65.712-179.162.40000115.4
393C24.4Very low53.8Low130 Ų13075 Ų7588%0.87843%0.434SS*.THydrogen-bonded Turntrans-90.2-8.6170.5-90.90000114.3F391F391-C393 PolarHBondContact O-N 3.17Å
394V25Very low53.9Low94 Ų9475.2 Ų75.257%0.5743%0.434SS*.SBendtrans-107.7-15.7-166.5-168.10000115.3Y319 F391Y319-V394 HydrophobicContact CD1-CG1 4.15Å; Y319-V394 HydrophobicContact CE1-CG1 4.48Å; F391-V394 PolarHBondContact O-N 2.87Å
395S26.4Very low54.4Low57 Ų5775.2 Ų75.240%0.39943%0.434SS..  trans-140.6142.817478.60000113C397S395-C397 PolarHBondContact O-N 2.78Å; S395-C397 WeakPolarHBondContact OG-CB 3.49Å
396T24.4Very low55.1Low156 Ų15673.9 Ų73.996%0.95743%0.427SS*.  trans-69.225.7172.145.30000112.8S398T396-S398 PolarHBondContact O-N 2.91Å
397C33.6Very low56.8Low69 Ų6974.1 Ų74.147%0.46643%0.429SS..  trans-76.8114.2-176.6-154.60000109.4S395S395-C397 PolarHBondContact O-N 2.78Å; S395-C397 WeakPolarHBondContact OG-CB 3.49Å
398S45.5Very low58.8Low97 Ų9774 Ų7468%0.67842%0.423SS*.PPolyproline II helixtrans-47.5135.6167.944.40000110.4T396 L400T396-S398 PolarHBondContact O-N 2.91Å; S398-L400 PolarHBondContact O-N 2.97Å; S398-L400 VanDerWaalsContact O-N 3.08Å
399Q68.9Low61.2Low195 Ų19574.3 Ų74.391%0.91143%0.43SS*.PPolyproline II helixtrans-47.4121.1170.4-81.4177-31.700109
400L81.7Confident63.6Low35 Ų3570.4 Ų70.418%0.18341%0.412CS..PPolyproline II helixtrans-54.5141.7177.9-64.3175.4000109.6A39 V41 L282 E316 S321 S398 V402A39-L400 HydrophobicContact CB-CD2 3.76Å; A39-L400 WeakPolarHBondContact O-CD2 3.45Å; V41-L400 HydrophobicContact CG2-CD1 4.17Å; L282-L400 HydrophobicContact CD1-CD1 3.62Å; E316-L400 HydrophobicContact CG-CD1 4.14Å; E316-L400 HydrophobicContact CG-CD2 4.26Å; S321-L400 WeakPolarHBondContact OG-CD1 3.41Å; S398-L400 PolarHBondContact O-N 2.97Å; S398-L400 VanDerWaalsContact O-N 3.08Å; L400-V402 PolarHBondContact O-N 3.46Å
401P87.8Confident66Low48 Ų4864.4 Ų64.431%0.31238%0.383SS..PPolyproline II helixtrans-59.1134.2170.924.3-31.4000109.6A39 F40 V41 Y403A39-P401 WeakPolarHBondContact O-CD 3.23Å; F40-P401 HydrophobicContact CB-CG 3.76Å; V41-P401 PolarHBondContact N-O 3.49Å; P401-Y403 HydrophobicContact CB-CE2 4.12Å; P401-Y403 HydrophobicContact CG-CE2 4.45Å
402V88.6Confident68.6Low58 Ų5867 Ų6735%0.35239%0.392SS..EExtended strand (participates in β ladder)trans-117.4122.1177.3-170.60000108.8V41 F280 L400 Y404V41-V402 HydrophobicContact CB-CG1 4.31Å; V41-V402 HydrophobicContact CB-CG2 4.29Å; V41-V402 HydrophobicContact CG1-CG1 4.37Å; V41-V402 CarbonylContact O-C 3.58Å; V41-V402 WeakPolarHBondContact O-CA 3.48Å; F280-V402 HydrophobicContact CE1-CG1 4.28Å; L400-V402 PolarHBondContact O-N 3.46Å; V402-Y404 HydrophobicContact CB-CE2 4.3Å; V402-Y404 HydrophobicContact CG1-CD1 4.32Å; V402-Y404 HydrophobicContact CG1-CE1 3.72Å; V402-Y404 HydrophobicContact CG1-CE2 3.97Å; V402-Y404 VanDerWaalsContact CG1-CZ 3.49Å
403Y91.6Very high71.4Confident52 Ų5266 Ų6620%0.20438%0.377CS..EExtended strand (participates in β ladder)trans-103.3118.6176.6-57-81.8000108.7H28 Q32 F40 V41 V42 G43 P401H28-Y403 HydrophobicContact CB-CE2 4.44Å; H28-Y403 AromaticContact CD2-CD2 3.84Å; H28-Y403 AromaticContact CD2-CG 3.66Å; H28-Y403 AromaticContact CE1-CD1 3.28Å; H28-Y403 WeakPolarHBondContact CE1-CD1 3.37Å; H28-Y403 AromaticContact CE1-CE1 3.54Å; H28-Y403 AromaticContact CE1-CG 3.69Å; H28-Y403 AromaticContact ND1-CD1 3.85Å; H28-Y403 AromaticContact ND1-CE1 3.71Å; H28-Y403 AromaticContact ND1-CZ 3.88Å; H28-Y403 WeakPolarHBondContact NE2-CB 3.33Å; H28-Y403 AromaticContact NE2-CD1 3.41Å; H28-Y403 WeakPolarHBondContact NE2-CD1 3.43Å; H28-Y403 AromaticContact NE2-CG 3.35Å; H28-Y403 VanDerWaalsContact NE2-CG 3.35Å; Q32-Y403 PolarHBondContact NE2-OH 3.17Å; F40-Y403 HydrophobicContact CB-CD2 4.31Å; F40-Y403 HydrophobicContact CB-CE2 3.83Å; F40-Y403 AromaticContact CD2-CD2 3.75Å; F40-Y403 HydrophobicContact CD2-CD2 3.75Å; F40-Y403 AromaticContact CD2-CE2 3.82Å; F40-Y403 HydrophobicContact CD2-CE2 3.82Å; F40-Y403 HydrophobicContact CE2-CD2 4.46Å; F40-Y403 HydrophobicContact CG-CD2 4.34Å; F40-Y403 AromaticContact CG-CE2 3.98Å; F40-Y403 HydrophobicContact CG-CE2 3.98Å; V41-Y403 PolarHBondContact O-N 3Å; V42-Y403 CarbonylContact C-O 3.59Å; V42-Y403 WeakPolarHBondContact CA-O 3.42Å; G43-Y403 PolarHBondContact N-O 3.48Å; P401-Y403 HydrophobicContact CB-CE2 4.12Å; P401-Y403 HydrophobicContact CG-CE2 4.45Å
404Y92.4Very high74.3Confident18 Ų1859.8 Ų59.87%0.07134%0.335CS..EExtended strand (participates in β ladder)trans-95.3135.1-179.6-66.9-69.4000110.3Y10 I12 E13 G43 L45 S73 A75 F280 V402Y10-Y404 HydrophobicContact CD1-CE2 4.19Å; I12-Y404 CarbonylContact C-O 3.16Å; I12-Y404 WeakPolarHBondContact CA-O 3.25Å; E13-Y404 PolarHBondContact N-O 3.5Å; G43-Y404 CarbonylContact O-C 3.55Å; G43-Y404 WeakPolarHBondContact O-CA 3.49Å; L45-Y404 HydrophobicContact CD1-CD1 4.28Å; L45-Y404 HydrophobicContact CD1-CG 4.34Å; L45-Y404 HydrophobicContact CD2-CD1 3.67Å; L45-Y404 HydrophobicContact CD2-CE1 4.14Å; L45-Y404 HydrophobicContact CG-CD1 3.98Å; L45-Y404 HydrophobicContact CG-CG 4.47Å; S73-Y404 PolarHBondContact OG-OH 3.05Å; A75-Y404 HydrophobicContact CB-CD1 4.34Å; A75-Y404 HydrophobicContact CB-CD2 4.21Å; A75-Y404 HydrophobicContact CB-CE1 3.94Å; A75-Y404 HydrophobicContact CB-CE2 3.79Å; A75-Y404 HydrophobicContact CB-CG 4.47Å; F280-Y404 AromaticContact CE1-CE1 3.81Å; F280-Y404 HydrophobicContact CE1-CE1 3.81Å; F280-Y404 HydrophobicContact CZ-CE1 4.17Å; V402-Y404 HydrophobicContact CB-CE2 4.3Å; V402-Y404 HydrophobicContact CG1-CD1 4.32Å; V402-Y404 HydrophobicContact CG1-CE1 3.72Å; V402-Y404 HydrophobicContact CG1-CE2 3.97Å; V402-Y404 VanDerWaalsContact CG1-CZ 3.49Å
405T93.4Very high77.1Confident0 Ų061 Ų610%033%0.329CS..EExtended strand (participates in β ladder)trans-129.7157.1179.570.10000110.3E13 V24 V42 G43 L45E13-T405 HydrophobicContact CB-CG2 4.24Å; E13-T405 CarbonylContact O-C 3.52Å; E13-T405 VanDerWaalsContact O-CA 3.27Å; E13-T405 WeakPolarHBondContact O-CA 3.48Å; V24-T405 HydrophobicContact CB-CG2 4.32Å; V24-T405 HydrophobicContact CG1-CG2 3.7Å; V24-T405 HydrophobicContact CG2-CG2 4.18Å; V42-T405 HydrophobicContact CG1-CG2 3.78Å; G43-T405 PolarHBondContact O-N 2.88Å; L45-T405 PolarHBondContact N-O 3.45Å
406I92.6Very high79.8Confident1 Ų166.5 Ų66.51%0.00535%0.349CS..EExtended strand (participates in β ladder)trans-150.3138.7168.6-168.8154.4000110.5I12 E13 L14 L15 L45 D410 W411 M414I12-I406 HydrophobicContact CG2-CB 4.07Å; I12-I406 HydrophobicContact CG2-CG2 3.55Å; E13-I406 PolarHBondContact O-N 3.42Å; L14-I406 WeakPolarHBondContact CA-O 3.41Å; L14-I406 HydrophobicContact CD1-CG2 3.91Å; L15-I406 PolarHBondContact N-O 3.23Å; L45-I406 HydrophobicContact CB-CD1 4.35Å; I406-D410 HydrophobicContact CD1-CB 4.33Å; I406-D410 HydrophobicContact CG1-CB 4Å; I406-W411 HydrophobicContact CD1-CB 4.35Å; I406-W411 HydrophobicContact CD1-CE3 3.89Å; I406-W411 HydrophobicContact CG1-CB 4.25Å; I406-W411 HydrophobicContact CG2-CB 4.32Å; I406-W411 HydrophobicContact CG2-CE3 4.21Å; I406-M414 HydrophobicContact CD1-SD 3.35Å; I406-M414 WeakPolarHBondContact CD1-SD 3.38Å
407S91.8Very high82.4Confident31 Ų3161.9 Ų61.922%0.21733%0.326CS..EExtended strand (participates in β ladder)trans-73150.6173.886.60000111P409 D410 W411S407-P409 WeakPolarHBondContact OG-CD 3.19Å; S407-D410 WeakPolarHBondContact CB-OD2 3.49Å; S407-D410 PolarHBondContact O-N 2.94Å; S407-D410 PolarHBondContact OG-N 2.91Å; S407-D410 PolarHBondContact OG-OD2 2.95Å; S407-W411 WeakPolarHBondContact O-CB 3.41Å; S407-W411 PolarHBondContact O-N 3.06Å
408T89.3Confident84.1Confident23 Ų2361.2 Ų61.214%0.14133%0.331CS..Hα-helixtrans-57.1-44.3176.7-35.20000112.7L15 E16 W411 Y412L15-T408 PolarHBondContact O-N 3.43Å; L15-T408 PolarHBondContact O-OG1 3.24Å; E16-T408 HydrophobicContact CG-CG2 4.5Å; E16-T408 VanDerWaalsContact CG-OG1 3.25Å; E16-T408 WeakPolarHBondContact CG-OG1 3.31Å; T408-W411 WeakPolarHBondContact O-CB 3.2Å; T408-W411 PolarHBondContact O-N 2.83Å; T408-Y412 HydrophobicContact CG2-CD2 3.86Å; T408-Y412 HydrophobicContact CG2-CE2 3.36Å; T408-Y412 WeakPolarHBondContact O-CD2 3.44Å; T408-Y412 PolarHBondContact O-N 2.96Å
409P89.8Confident85.1Confident93 Ų9356.7 Ų56.760%0.60430%0.299SS*.Hα-helixtrans-57.1-49.2175.1-26.935.7000113.8S407 W411 Y412 E413S407-P409 WeakPolarHBondContact OG-CD 3.19Å; P409-W411 VanDerWaalsContact C-N 3.28Å; P409-W411 PolarHBondContact O-N 3.28Å; P409-Y412 PolarHBondContact O-N 3.12Å; P409-E413 PolarHBondContact O-N 3.03Å
410D90.3Very high84.7Confident12 Ų1249.4 Ų49.46%0.06427%0.273CS..Hα-helixtrans-63.7-38.6179.6-57.4-58000110.8R50 I406 S407 Y412 E413 M414R50-D410 IonicContact CZ-OD1 3.38Å; R50-D410 IonicContact CZ-OD2 3.45Å; R50-D410 IonicContact NH1-OD1 3.75Å; R50-D410 PolarHBondContact NH1-OD1 2.85Å; R50-D410 IonicContact NH1-OD2 3.39Å; R50-D410 PolarHBondContact NH1-OD2 2.88Å; I406-D410 HydrophobicContact CD1-CB 4.33Å; I406-D410 HydrophobicContact CG1-CB 4Å; S407-D410 WeakPolarHBondContact CB-OD2 3.49Å; S407-D410 PolarHBondContact O-N 2.94Å; S407-D410 PolarHBondContact OG-N 2.91Å; S407-D410 PolarHBondContact OG-OD2 2.95Å; D410-Y412 VanDerWaalsContact C-N 3.33Å; D410-Y412 PolarHBondContact O-N 2.96Å; D410-E413 PolarHBondContact O-N 3.34Å; D410-M414 VanDerWaalsContact O-CG 3.3Å; D410-M414 WeakPolarHBondContact O-CG 3.44Å; D410-M414 PolarHBondContact O-N 2.78Å
411W87.4Confident83.4Confident18 Ų1850.8 Ų50.87%0.06828%0.28CS..Hα-helixtrans-59.9-43.2176-179.1-114000112.2L14 I406 S407 T408 P409 M414 R415 L421 M425 V430L14-W411 HydrophobicContact CD1-CB 4.02Å; L14-W411 HydrophobicContact CD1-CG 4.19Å; I406-W411 HydrophobicContact CD1-CB 4.35Å; I406-W411 HydrophobicContact CD1-CE3 3.89Å; I406-W411 HydrophobicContact CG1-CB 4.25Å; I406-W411 HydrophobicContact CG2-CB 4.32Å; I406-W411 HydrophobicContact CG2-CE3 4.21Å; S407-W411 WeakPolarHBondContact O-CB 3.41Å; S407-W411 PolarHBondContact O-N 3.06Å; T408-W411 WeakPolarHBondContact O-CB 3.2Å; T408-W411 PolarHBondContact O-N 2.83Å; P409-W411 VanDerWaalsContact C-N 3.28Å; P409-W411 PolarHBondContact O-N 3.28Å; W411-M414 PolarHBondContact O-N 2.88Å; W411-R415 WeakPolarHBondContact O-CG 3.37Å; W411-R415 PolarHBondContact O-N 2.86Å; W411-L421 HydrophobicContact CH2-CD1 4.39Å; W411-L421 HydrophobicContact CH2-CD2 3.65Å; W411-L421 HydrophobicContact CH2-CG 3.88Å; W411-L421 HydrophobicContact CZ2-CD1 3.65Å; W411-L421 HydrophobicContact CZ2-CD2 3.74Å; W411-L421 HydrophobicContact CZ2-CG 3.64Å; W411-M425 HydrophobicContact CH2-SD 3.78Å; W411-M425 HydrophobicContact CZ3-CE 4.06Å; W411-M425 HydrophobicContact CZ3-SD 3.6Å; W411-M425 VanDerWaalsContact CZ3-SD 3.6Å; W411-V430 HydrophobicContact CH2-CG2 3.86Å; W411-V430 HydrophobicContact CZ2-CG2 3.83Å; W411-V430 HydrophobicContact CZ3-CG2 4.42Å
412Y87.4Confident81.7Confident128 Ų12856.3 Ų56.350%0.50231%0.307SS..Hα-helixtrans-62.8-45.1173.9-78.1-67.5000111.7T408 P409 D410 M414 R415 E416T408-Y412 HydrophobicContact CG2-CD2 3.86Å; T408-Y412 HydrophobicContact CG2-CE2 3.36Å; T408-Y412 WeakPolarHBondContact O-CD2 3.44Å; T408-Y412 PolarHBondContact O-N 2.96Å; P409-Y412 PolarHBondContact O-N 3.12Å; D410-Y412 VanDerWaalsContact C-N 3.33Å; D410-Y412 PolarHBondContact O-N 2.96Å; Y412-M414 VanDerWaalsContact C-N 3.33Å; Y412-M414 PolarHBondContact O-N 2.81Å; Y412-R415 PolarHBondContact O-N 3.26Å; Y412-R415 VanDerWaalsContact O-N 3.13Å; Y412-E416 PolarHBondContact O-N 2.85Å
413E87.5Confident80.1Confident70 Ų7058.1 Ų58.133%0.32732%0.322SS..Hα-helixtrans-60-43179-161.9-176.2154.400111.4M49 T53 P409 D410 R415 E416 A417M49-E413 HydrophobicContact CE-CB 4.45Å; M49-E413 HydrophobicContact CE-CG 3.73Å; M49-E413 HydrophobicContact CG-CG 4.5Å; T53-E413 PolarHBondContact OG1-OE1 3.11Å; P409-E413 PolarHBondContact O-N 3.03Å; D410-E413 PolarHBondContact O-N 3.34Å; E413-R415 VanDerWaalsContact C-N 3.32Å; E413-R415 PolarHBondContact O-N 3.3Å; E413-E416 PolarHBondContact O-N 2.82Å; E413-A417 WeakPolarHBondContact O-CB 3.46Å; E413-A417 PolarHBondContact O-N 3.18Å
414M85.8Confident78.4Confident1 Ų157 Ų571%0.00532%0.324CS..Hα-helixtrans-59.1-42.8175-71.2-174.184.300112M49 V79 I406 D410 W411 Y412 A417 V419 M425M49-M414 HydrophobicContact CB-CG 3.7Å; M49-M414 HydrophobicContact CB-SD 4.26Å; M49-M414 HydrophobicContact CG-CG 3.64Å; M49-M414 HydrophobicContact SD-CG 4.03Å; V79-M414 HydrophobicContact CB-CE 4.33Å; V79-M414 HydrophobicContact CG1-CE 3.46Å; V79-M414 VanDerWaalsContact CG1-CE 3.46Å; V79-M414 HydrophobicContact CG2-CE 4.17Å; I406-M414 HydrophobicContact CD1-SD 3.35Å; I406-M414 WeakPolarHBondContact CD1-SD 3.38Å; D410-M414 VanDerWaalsContact O-CG 3.3Å; D410-M414 WeakPolarHBondContact O-CG 3.44Å; D410-M414 PolarHBondContact O-N 2.78Å; W411-M414 PolarHBondContact O-N 2.88Å; Y412-M414 VanDerWaalsContact C-N 3.33Å; Y412-M414 PolarHBondContact O-N 2.81Å; M414-A417 PolarHBondContact O-N 2.78Å; M414-V419 HydrophobicContact CB-CB 4.35Å; M414-V419 HydrophobicContact CB-CG2 4.45Å; M414-V419 WeakPolarHBondContact O-CB 3.39Å; M414-V419 WeakPolarHBondContact O-CG2 3.4Å; M414-V419 PolarHBondContact O-N 2.8Å; M414-M425 HydrophobicContact CE-CE 3.18Å; M414-M425 HydrophobicContact SD-CE 4.06Å
415R83.3Confident77Confident118 Ų11856.3 Ų56.345%0.44532%0.321SS..Hα-helixtrans-67.5-38.6177.8-66.8-162.5-48.4168.85.8112.4W411 Y412 E413 A417 G418W411-R415 WeakPolarHBondContact O-CG 3.37Å; W411-R415 PolarHBondContact O-N 2.86Å; Y412-R415 PolarHBondContact O-N 3.26Å; Y412-R415 VanDerWaalsContact O-N 3.13Å; E413-R415 VanDerWaalsContact C-N 3.32Å; E413-R415 PolarHBondContact O-N 3.3Å; R415-A417 VanDerWaalsContact C-N 3.29Å; R415-A417 PolarHBondContact O-N 3.35Å; R415-G418 PolarHBondContact O-N 3.49Å; R415-G418 VanDerWaalsContact O-N 3.1Å
416E83.4Confident75.8Confident173 Ų17362.4 Ų62.481%0.80835%0.348SS*.Hα-helixtrans-65.1-34.2175.1-71.7-165.2137.600112.1Y412 E413 G418Y412-E416 PolarHBondContact O-N 2.85Å; E413-E416 PolarHBondContact O-N 2.82Å; E416-G418 PolarHBondContact O-N 3.02Å; E416-G418 VanDerWaalsContact O-N 3.11Å
417A78Confident74.9Confident59 Ų5963.9 Ų63.949%0.48836%0.356SS..THydrogen-bonded Turntrans-701.9172.600000113.9M49 E413 M414 R415M49-A417 HydrophobicContact CE-CB 3.71Å; E413-A417 WeakPolarHBondContact O-CB 3.46Å; E413-A417 PolarHBondContact O-N 3.18Å; M414-A417 PolarHBondContact O-N 2.78Å; R415-A417 VanDerWaalsContact C-N 3.29Å; R415-A417 PolarHBondContact O-N 3.35Å
418G68.9Low74.1Confident55 Ų5563 Ų6357%0.56735%0.348SS*.THydrogen-bonded Turntrans91.19176.700000114.5R415 E416 A420R415-G418 PolarHBondContact O-N 3.49Å; R415-G418 VanDerWaalsContact O-N 3.1Å; E416-G418 PolarHBondContact O-N 3.02Å; E416-G418 VanDerWaalsContact O-N 3.11Å; G418-A420 VanDerWaalsContact C-N 3.34Å; G418-A420 PolarHBondContact O-N 2.88Å
419V67.3Low73.5Confident2 Ų264 Ų641%0.01236%0.355CS..  trans-74.988.8172-174.30000109.2S82 L83 M414 A424 M425S82-V419 VanDerWaalsContact CB-CG1 3.46Å; L83-V419 HydrophobicContact CD2-CG2 3.7Å; L83-V419 HydrophobicContact CG-CG2 4.38Å; M414-V419 HydrophobicContact CB-CB 4.35Å; M414-V419 HydrophobicContact CB-CG2 4.45Å; M414-V419 WeakPolarHBondContact O-CB 3.39Å; M414-V419 WeakPolarHBondContact O-CG2 3.4Å; M414-V419 PolarHBondContact O-N 2.8Å; V419-A424 HydrophobicContact CG1-CB 4.45Å; V419-M425 HydrophobicContact CG1-CE 3.35Å; V419-M425 HydrophobicContact CG1-CG 3.68Å; V419-M425 HydrophobicContact CG1-SD 4.02Å
420A59.6Low72.7Confident43 Ų4361.8 Ų61.836%0.35534%0.34SS..  trans-85.4128178.900000111.5G418 D422 S423 A424 M425G418-A420 VanDerWaalsContact C-N 3.34Å; G418-A420 PolarHBondContact O-N 2.88Å; A420-D422 PolarHBondContact O-N 2.66Å; A420-S423 PolarHBondContact O-N 2.82Å; A420-A424 WeakPolarHBondContact O-CB 3.23Å; A420-A424 PolarHBondContact O-N 3.27Å; A420-M425 PolarHBondContact O-N 2.94Å
421L55.9Low72.2Confident64 Ų6465.7 Ų65.734%0.33536%0.361SS..THydrogen-bonded Turntrans-51-41.5173.4-86.5160.6000113W411 S423 M425W411-L421 HydrophobicContact CH2-CD1 4.39Å; W411-L421 HydrophobicContact CH2-CD2 3.65Å; W411-L421 HydrophobicContact CH2-CG 3.88Å; W411-L421 HydrophobicContact CZ2-CD1 3.65Å; W411-L421 HydrophobicContact CZ2-CD2 3.74Å; W411-L421 HydrophobicContact CZ2-CG 3.64Å; L421-S423 VanDerWaalsContact C-N 3.28Å; L421-S423 PolarHBondContact O-N 2.7Å; L421-M425 HydrophobicContact CD2-CB 4.49Å; L421-M425 CarbonylContact O-C 3.55Å
422D51.7Low71.7Confident163 Ų16371.3 Ų71.387%0.87239%0.388SS*.THydrogen-bonded Turntrans-77-9.3-170.7-63.5-26.7000114.2A420A420-D422 PolarHBondContact O-N 2.66Å
423S55.4Low70.9Confident96 Ų9667.3 Ų67.367%0.67137%0.372SS*.THydrogen-bonded Turntrans-137.1-34.3-179.2620000115.3A420 L421A420-S423 PolarHBondContact O-N 2.82Å; L421-S423 VanDerWaalsContact C-N 3.28Å; L421-S423 PolarHBondContact O-N 2.7Å
424A54.8Low69.8Low29 Ų2969 Ų6924%0.2439%0.391CS..THydrogen-bonded Turntrans-104.5-30.2-171.400000113E78 S82 V419 A420E78-A424 WeakPolarHBondContact CG-O 3.44Å; S82-A424 WeakPolarHBondContact OG-CB 3.45Å; S82-A424 PolarHBondContact OG-O 3.42Å; S82-A424 VanDerWaalsContact OG-O 3.1Å; V419-A424 HydrophobicContact CG1-CB 4.45Å; A420-A424 WeakPolarHBondContact O-CB 3.23Å; A420-A424 PolarHBondContact O-N 3.27Å
425M64.1Low68.3Low3 Ų377.2 Ų77.22%0.01544%0.441CS..SBendtrans-116.942.5-179.5-80.9-156.5-167.700113.1E78 V79 W411 M414 V419 A420 L421 N427 F428E78-M425 WeakPolarHBondContact OE1-CA 3.33Å; V79-M425 HydrophobicContact CG2-CE 3.84Å; W411-M425 HydrophobicContact CH2-SD 3.78Å; W411-M425 HydrophobicContact CZ3-CE 4.06Å; W411-M425 HydrophobicContact CZ3-SD 3.6Å; W411-M425 VanDerWaalsContact CZ3-SD 3.6Å; M414-M425 HydrophobicContact CE-CE 3.18Å; M414-M425 HydrophobicContact SD-CE 4.06Å; V419-M425 HydrophobicContact CG1-CE 3.35Å; V419-M425 HydrophobicContact CG1-CG 3.68Å; V419-M425 HydrophobicContact CG1-SD 4.02Å; A420-M425 PolarHBondContact O-N 2.94Å; L421-M425 HydrophobicContact CD2-CB 4.49Å; L421-M425 CarbonylContact O-C 3.55Å; M425-N427 PolarHBondContact O-N 2.86Å; M425-F428 HydrophobicContact CB-CD2 3.71Å; M425-F428 HydrophobicContact CB-CE2 4.43Å; M425-F428 HydrophobicContact CG-CD2 3.73Å; M425-F428 HydrophobicContact CG-CE2 4Å; M425-F428 PolarHBondContact O-N 2.84Å; M425-F428 HydrophobicContact SD-CD2 3.78Å; M425-F428 HydrophobicContact SD-CE2 4.06Å
426K67.8Low67.5Low129 Ų12975.2 Ų75.256%0.56144%0.441SS*.THydrogen-bonded Turntrans-63.4-21.3-17267-175.9178.8-1750114.2E78E78-K426 PolarHBondContact OE1-N 3.42Å
427N73.4Confident66.7Low32 Ų3270.1 Ų70.117%0.17142%0.422CS..THydrogen-bonded Turntrans-95.40.1-177.4-54.4-50.3000113.5P8 N9 Y10 E78 M425P8-N427 CarbonylContact C-O 3.56Å; P8-N427 WeakPolarHBondContact CA-O 3.15Å; P8-N427 VanDerWaalsContact CB-O 3.26Å; P8-N427 WeakPolarHBondContact CB-O 3.14Å; N9-N427 HydrophobicContact CB-CB 4.45Å; N9-N427 PolarHBondContact N-O 2.84Å; Y10-N427 HydrophobicContact CD2-CB 4.32Å; Y10-N427 PolarHBondContact N-O 3Å; Y10-N427 VanDerWaalsContact N-O 3.13Å; E78-N427 PolarHBondContact OE1-N 3.29Å; E78-N427 VanDerWaalsContact OE2-CB 3.28Å; E78-N427 WeakPolarHBondContact OE2-CB 3.25Å; E78-N427 PolarHBondContact OE2-ND2 2.96Å; M425-N427 PolarHBondContact O-N 2.86Å
428F74.6Confident66Low13 Ų1370.7 Ų70.76%0.05742%0.418CS..EExtended strand (participates in β ladder)trans-97.5140.7-177.3-68.4-70.6000112.8Y10 I12 L45 A75 E78 V79 M425Y10-F428 HydrophobicContact CD2-CE1 4.49Å; Y10-F428 HydrophobicContact CG-CE1 4.45Å; Y10-F428 WeakPolarHBondContact O-CA 3.35Å; I12-F428 HydrophobicContact CD1-CB 3.81Å; I12-F428 HydrophobicContact CD1-CD1 3.22Å; I12-F428 HydrophobicContact CD1-CD2 4.34Å; I12-F428 HydrophobicContact CD1-CE1 3.68Å; I12-F428 HydrophobicContact CD1-CG 3.55Å; I12-F428 HydrophobicContact CD1-CZ 4.37Å; I12-F428 HydrophobicContact CG1-CB 4.39Å; I12-F428 HydrophobicContact CG1-CD1 3.45Å; I12-F428 VanDerWaalsContact CG1-CD1 3.45Å; I12-F428 HydrophobicContact CG1-CE1 3.93Å; I12-F428 HydrophobicContact CG1-CG 4.19Å; L45-F428 HydrophobicContact CD1-CE1 4.09Å; L45-F428 HydrophobicContact CD1-CZ 4.32Å; A75-F428 HydrophobicContact CB-CE1 3.67Å; A75-F428 HydrophobicContact CB-CZ 3.72Å; E78-F428 HydrophobicContact CB-CE2 3.76Å; E78-F428 HydrophobicContact CB-CZ 4.23Å; E78-F428 VanDerWaalsContact CD-CE2 3.49Å; E78-F428 HydrophobicContact CG-CD2 4.23Å; E78-F428 HydrophobicContact CG-CE2 3.62Å; V79-F428 HydrophobicContact CG2-CE2 4.32Å; V79-F428 HydrophobicContact CG2-CZ 4.15Å; M425-F428 HydrophobicContact CB-CD2 3.71Å; M425-F428 HydrophobicContact CB-CE2 4.43Å; M425-F428 HydrophobicContact CG-CD2 3.73Å; M425-F428 HydrophobicContact CG-CE2 4Å; M425-F428 PolarHBondContact O-N 2.84Å; M425-F428 HydrophobicContact SD-CD2 3.78Å; M425-F428 HydrophobicContact SD-CE2 4.06Å
429S76.5Confident65.9Low42 Ų4271.6 Ų71.629%0.29441%0.41SS..EExtended strand (participates in β ladder)trans-117.5121.2162.3-950000110.1P8 Y10 I11 I12P8-S429 WeakPolarHBondContact CG-OG 3.28Å; Y10-S429 PolarHBondContact O-N 2.66Å; I11-S429 WeakPolarHBondContact CA-O 3.32Å; I12-S429 PolarHBondContact N-O 2.84Å
430V74.4Confident65.8Low48 Ų4875.9 Ų75.929%0.29143%0.434SS..EExtended strand (participates in β ladder)trans-88.7118.8176-174.80000108.5I12 L14 W411I12-V430 WeakPolarHBondContact O-CA 2.93Å; L14-V430 HydrophobicContact CB-CG1 3.62Å; L14-V430 HydrophobicContact CD1-CG1 4.36Å; L14-V430 HydrophobicContact CD2-CG1 4.11Å; L14-V430 HydrophobicContact CG-CG1 4.26Å; W411-V430 HydrophobicContact CH2-CG2 3.86Å; W411-V430 HydrophobicContact CZ2-CG2 3.83Å; W411-V430 HydrophobicContact CZ3-CG2 4.42Å
431L79.9Confident66.2Low94 Ų9478.1 Ų78.149%0.49244%0.44SS..EExtended strand (participates in β ladder)trans-110.3141.3172.7-65-179.1000108.9I11 I12 L14 Y433I11-L431 HydrophobicContact CD1-CD1 4.36Å; I11-L431 HydrophobicContact CG2-CB 4.37Å; I11-L431 HydrophobicContact CG2-CD1 3.58Å; I11-L431 HydrophobicContact CG2-CG 3.99Å; I12-L431 PolarHBondContact O-N 2.9Å; L14-L431 PolarHBondContact N-O 2.76Å; L431-Y433 PolarHBondContact O-N 2.82Å
432Q75.6Confident66.9Low136 Ų13679.1 Ų79.164%0.63645%0.447SS*.EExtended strand (participates in β ladder)trans-67.7128.1171-72.9-174-40.300109E16 S434E16-Q432 PolarHBondContact OE1-NE2 3.18Å; E16-Q432 PolarHBondContact OE2-NE2 2.78Å; Q432-S434 PolarHBondContact O-N 2.96Å
433Y72Confident68.1Low44 Ų4472.7 Ų72.717%0.17341%0.414CS..  trans-67.9122.5172.1-171.2-98.7000109.1E13 L14 L15 V19 V24 L431 V435E13-Y433 HydrophobicContact CB-CD2 4.06Å; E13-Y433 HydrophobicContact CG-CD2 4.19Å; E13-Y433 WeakPolarHBondContact OE2-CD2 3.46Å; E13-Y433 WeakPolarHBondContact OE2-CE2 3.35Å; L14-Y433 WeakPolarHBondContact O-CB 3.44Å; L14-Y433 PolarHBondContact O-N 3.49Å; L14-Y433 VanDerWaalsContact O-N 3.12Å; L15-Y433 HydrophobicContact CD2-CG 4.28Å; V19-Y433 HydrophobicContact CG1-CD1 3.89Å; V19-Y433 HydrophobicContact CG1-CE1 4.23Å; V24-Y433 HydrophobicContact CB-CE2 4.37Å; V24-Y433 HydrophobicContact CG1-CE2 4.03Å; V24-Y433 HydrophobicContact CG2-CD2 4.26Å; V24-Y433 HydrophobicContact CG2-CE1 4.35Å; V24-Y433 HydrophobicContact CG2-CE2 4.07Å; V24-Y433 HydrophobicContact CG2-CG 4.48Å; L431-Y433 PolarHBondContact O-N 2.82Å; Y433-V435 HydrophobicContact CD1-CG2 4.41Å; Y433-V435 HydrophobicContact CE1-CG2 4.29Å
434S64Low69.2Low105 Ų10570.8 Ų70.873%0.73439%0.393SS*.  trans-108.611917658.10000109.6Q432Q432-S434 PolarHBondContact O-N 2.96Å
435V52.8Low70.5Confident174 Ų17474.5 Ų74.5100%1.05541%0.407SS*.  trans-65.60176.5-174.60000111.9V19 Y433V19-V435 HydrophobicContact CG2-CG2 4.13Å; Y433-V435 HydrophobicContact CD1-CG2 4.41Å; Y433-V435 HydrophobicContact CE1-CG2 4.29Å

Retrieved 435 of 435 residues in 105.8 ms (Link to these results)

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