A0A5K4FAW6_SCHMA Loading...

Pepsin A

AlphaFold DB , UniProt , Accession A0A5K4FAW6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 244 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
1M62Low89.4Confident221 Ų22197 Ų97100%1.08952%0.523SS*.  0132.40-169.3172.4-144.200106.1
2F74Confident90.2Very high31 Ų3194.6 Ų94.614%0.13651%0.514CS..PPolyproline II helixtrans-65.5143.7-178.6-82.2-101.6000111.4F4 Y61 N64 Y66 D67F2-F4 HydrophobicContact CB-CE2 4.27Å; F2-F4 HydrophobicContact CB-CZ 4.24Å; F2-Y61 HydrophobicContact CB-CE2 4.09Å; F2-Y61 AromaticContact CD2-CD2 3.5Å; F2-Y61 HydrophobicContact CD2-CD2 3.5Å; F2-Y61 AromaticContact CD2-CE2 3.35Å; F2-Y61 HydrophobicContact CD2-CE2 3.35Å; F2-Y61 HydrophobicContact CD2-CG 4.31Å; F2-Y61 AromaticContact CE2-CD2 3.68Å; F2-Y61 HydrophobicContact CE2-CD2 3.68Å; F2-Y61 HydrophobicContact CE2-CE2 4.04Å; F2-Y61 HydrophobicContact CE2-CG 4.2Å; F2-Y61 WeakPolarHBondContact CE2-O 3.41Å; F2-Y61 HydrophobicContact CG-CD2 4.17Å; F2-Y61 AromaticContact CG-CE2 3.85Å; F2-Y61 HydrophobicContact CG-CE2 3.85Å; F2-Y61 HydrophobicContact CZ-CD2 4.42Å; F2-N64 HydrophobicContact CZ-CB 4.23Å; F2-Y66 WeakPolarHBondContact CE1-O 3.47Å; F2-Y66 WeakPolarHBondContact CZ-O 3.29Å; F2-D67 VanDerWaalsContact CA-OD1 3.26Å; F2-D67 WeakPolarHBondContact CA-OD1 3.19Å; F2-D67 HydrophobicContact CD1-CB 4.41Å
3S85.1Confident90.8Very high81 Ų8192.4 Ų92.457%0.56650%0.495SS*.PPolyproline II helixtrans-86.4126.3168.6-48.50000109.5D67S3-D67 VanDerWaalsContact CB-OD2 3.26Å; S3-D67 WeakPolarHBondContact CB-OD2 3.37Å; S3-D67 PolarHBondContact N-OD1 3.27Å; S3-D67 PolarHBondContact OG-OD2 3.36Å
4F88.7Confident91.3Very high141 Ų14191.4 Ų91.462%0.61849%0.493SS*.PPolyproline II helixtrans-101.1137.8175.5-64.4-82.4000110.6F2 Y61F2-F4 HydrophobicContact CB-CE2 4.27Å; F2-F4 HydrophobicContact CB-CZ 4.24Å; F4-Y61 HydrophobicContact CZ-CE2 4.38Å
5Y94.5Very high91.8Very high83 Ų8389.9 Ų89.933%0.32550%0.499SS..PPolyproline II helixtrans-75.1134.1169.6173.1-101.1000110.4D36 F50 E52Y5-D36 PolarHBondContact OH-OD2 2.95Å; Y5-F50 AromaticContact CD1-CE2 3.86Å; Y5-F50 HydrophobicContact CD1-CE2 3.86Å; Y5-F50 AromaticContact CD1-CZ 3.85Å; Y5-F50 HydrophobicContact CD1-CZ 3.85Å; Y5-F50 HydrophobicContact CD2-CZ 4.43Å; Y5-F50 HydrophobicContact CE1-CE2 4.01Å; Y5-F50 AromaticContact CE1-CZ 3.52Å; Y5-F50 HydrophobicContact CE1-CZ 3.52Å; Y5-F50 HydrophobicContact CE2-CZ 4.17Å; Y5-F50 HydrophobicContact CG-CE2 4.21Å; Y5-F50 HydrophobicContact CG-CZ 4.28Å; Y5-F50 AromaticContact CZ-CZ 3.71Å; Y5-E52 VanDerWaalsContact CD1-CD 3.43Å; Y5-E52 HydrophobicContact CD1-CG 3.71Å; Y5-E52 HydrophobicContact CE1-CG 4.17Å; Y5-E52 VanDerWaalsContact CE1-OE1 3.26Å; Y5-E52 WeakPolarHBondContact CE1-OE1 3.49Å
6D94.8Very high92.1Very high61 Ų6188.3 Ų88.333%0.32649%0.489SS..  trans-120.696179.3-178.6-4.4000109.1S8 K9D6-S8 PolarHBondContact O-N 3.29Å; D6-S8 VanDerWaalsContact O-N 3.16Å; D6-S8 WeakPolarHBondContact OD1-CB 3.36Å; D6-S8 PolarHBondContact OD1-N 2.95Å; D6-S8 VanDerWaalsContact OD1-N 3.14Å; D6-S8 PolarHBondContact OD1-OG 3.37Å; D6-K9 HydrophobicContact CB-CD 4.2Å; D6-K9 HydrophobicContact CB-CG 4.36Å; D6-K9 PolarHBondContact O-N 2.92Å; D6-K9 WeakPolarHBondContact OD2-CD 3.41Å; D6-K9 WeakPolarHBondContact OD2-CE 3.27Å; D6-K9 IonicContact OD2-NZ 2.72Å; D6-K9 PolarHBondContact OD2-NZ 2.98Å
7S95.9Very high92.3Very high23 Ų2386.1 Ų86.116%0.16149%0.49CS..G310 helixtrans-59.4-25.5-17855.70000113.2K9 S10S7-K9 PolarHBondContact O-N 2.75Å; S7-S10 PolarHBondContact O-N 3.4Å
8S96.1Very high92.5Very high99 Ų9984 Ų8469%0.69248%0.482SS*.G310 helixtrans-67.7-17.2178.3770000113.5D6D6-S8 PolarHBondContact O-N 3.29Å; D6-S8 VanDerWaalsContact O-N 3.16Å; D6-S8 WeakPolarHBondContact OD1-CB 3.36Å; D6-S8 PolarHBondContact OD1-N 2.95Å; D6-S8 VanDerWaalsContact OD1-N 3.14Å; D6-S8 PolarHBondContact OD1-OG 3.37Å
9K97Very high92.7Very high169 Ų16983.9 Ų83.974%0.73549%0.487SS*.G310 helixtrans-95.8-4.2179.4-66.7-177.7176.3124.30113.9D6 S7D6-K9 HydrophobicContact CB-CD 4.2Å; D6-K9 HydrophobicContact CB-CG 4.36Å; D6-K9 PolarHBondContact O-N 2.92Å; D6-K9 WeakPolarHBondContact OD2-CD 3.41Å; D6-K9 WeakPolarHBondContact OD2-CE 3.27Å; D6-K9 IonicContact OD2-NZ 2.72Å; D6-K9 PolarHBondContact OD2-NZ 2.98Å; S7-K9 PolarHBondContact O-N 2.75Å
10S97.9Very high92.7Very high32 Ų3281.7 Ų81.722%0.22447%0.47CS..  trans-103.3124.4-178.1-178.80000111.4S7 T12 Y13 D36S7-S10 PolarHBondContact O-N 3.4Å; S10-T12 VanDerWaalsContact C-N 3.28Å; S10-T12 PolarHBondContact OG-N 3.06Å; S10-T12 PolarHBondContact OG-OG1 3Å; S10-Y13 PolarHBondContact OG-N 3.11Å; S10-D36 WeakPolarHBondContact CB-OD2 3.19Å; S10-D36 VanDerWaalsContact OG-CG 3.25Å; S10-D36 PolarHBondContact OG-OD1 3.24Å; S10-D36 VanDerWaalsContact OG-OD1 3.12Å; S10-D36 PolarHBondContact OG-OD2 3.11Å
11S98Very high92.7Very high126 Ų12683.3 Ų83.388%0.88147%0.473SS*.THydrogen-bonded Turntrans-79.4-10.317457.20000113.5
12T98.2Very high93.9Very high68 Ų6874 Ų7442%0.41743%0.429SS..THydrogen-bonded Turntrans-105.40177.849.10000113.3S10 D36S10-T12 VanDerWaalsContact C-N 3.28Å; S10-T12 PolarHBondContact OG-N 3.06Å; S10-T12 PolarHBondContact OG-OG1 3Å; T12-D36 VanDerWaalsContact CB-OD1 3.32Å; T12-D36 WeakPolarHBondContact CB-OD1 3.24Å; T12-D36 PolarHBondContact OG1-OD1 2.69Å
13Y98.4Very high94.4Very high66 Ų6676.9 Ų76.926%0.25945%0.45SS..  trans-64.9136.9175.6165.8-107.9000111.7S10 A15 V35 D36S10-Y13 PolarHBondContact OG-N 3.11Å; Y13-A15 HydrophobicContact CE1-CB 4.16Å; Y13-A15 WeakPolarHBondContact OH-CA 3.44Å; Y13-A15 WeakPolarHBondContact OH-CB 3.35Å; Y13-V35 CarbonylContact C-O 3.55Å; Y13-V35 WeakPolarHBondContact CA-O 3.34Å; Y13-D36 PolarHBondContact N-OD1 2.73Å
14V98.3Very high93.8Very high79 Ų7977.2 Ų77.248%0.47944%0.439SS..EExtended strand (participates in β ladder)trans-128.3125.5170.8-179.70000108.3V35V14-V35 HydrophobicContact CB-CB 4.15Å; V14-V35 PolarHBondContact N-O 2.67Å; V14-V35 PolarHBondContact O-N 2.85Å
15A97.4Very high93Very high69 Ų6976.8 Ų76.857%0.5744%0.442SS*.EExtended strand (participates in β ladder)trans-68.2131.7177.300000111Y13Y13-A15 HydrophobicContact CE1-CB 4.16Å; Y13-A15 WeakPolarHBondContact OH-CA 3.44Å; Y13-A15 WeakPolarHBondContact OH-CB 3.35Å
16D97Very high91.8Very high64 Ų6480.7 Ų80.734%0.34247%0.469SS..EExtended strand (participates in β ladder)trans-111-53.4165.8176.3-50.4000108.7S18 W33 K82D16-S18 PolarHBondContact O-N 2.87Å; D16-S18 VanDerWaalsContact O-N 3.16Å; D16-S18 VanDerWaalsContact OD1-CB 3.23Å; D16-S18 WeakPolarHBondContact OD1-CB 3.46Å; D16-S18 PolarHBondContact OD1-N 3.34Å; D16-S18 PolarHBondContact OD1-OG 2.97Å; D16-W33 HydrophobicContact CB-CB 4.11Å; D16-W33 WeakPolarHBondContact CB-O 3.25Å; D16-K82 IonicContact OD1-NZ 2.76Å; D16-K82 IonicContact OD2-NZ 3.72Å; D16-K82 PolarHBondContact OD2-NZ 3.4Å
17G95.7Very high90.8Very high50 Ų5078.4 Ų78.452%0.51546%0.458SS..EExtended strand (participates in β ladder)trans75.4-5.2170.200000114.7W33G17-W33 PolarHBondContact N-O 3.08Å
18S96.4Very high90.2Very high49 Ų4981.9 Ų81.934%0.34348%0.475SS..EExtended strand (participates in β ladder)trans-62.8141.8173.461.10000110.9D16 F32 W33D16-S18 PolarHBondContact O-N 2.87Å; D16-S18 VanDerWaalsContact O-N 3.16Å; D16-S18 VanDerWaalsContact OD1-CB 3.23Å; D16-S18 WeakPolarHBondContact OD1-CB 3.46Å; D16-S18 PolarHBondContact OD1-N 3.34Å; D16-S18 PolarHBondContact OD1-OG 2.97Å; S18-F32 CarbonylContact O-C 3.55Å; S18-F32 VanDerWaalsContact O-CA 3.28Å; S18-F32 WeakPolarHBondContact O-CA 3.43Å; S18-F32 WeakPolarHBondContact O-CB 3.39Å; S18-W33 PolarHBondContact O-N 3.41Å
19S95.2Very high89.8Confident82 Ų8278.9 Ų78.957%0.57345%0.448SS*.EExtended strand (participates in β ladder)trans-66.7142.5-174.6650000112.2
20Y94.2Very high89.5Confident39 Ų3972.4 Ų72.415%0.15342%0.424CS..EExtended strand (participates in β ladder)trans-120130.7171.2178.9-100.6000110.5V22 S30 G31 W33 A51 M53 F80Y20-V22 HydrophobicContact CD1-CG1 4.45Å; Y20-V22 HydrophobicContact CE1-CB 3.91Å; Y20-V22 HydrophobicContact CE1-CG1 3.43Å; Y20-V22 VanDerWaalsContact CE1-CG1 3.43Å; Y20-V22 WeakPolarHBondContact OH-CG1 3.42Å; Y20-S30 CarbonylContact O-C 3.57Å; Y20-S30 VanDerWaalsContact O-CA 3.3Å; Y20-S30 WeakPolarHBondContact O-CA 3.3Å; Y20-G31 PolarHBondContact N-O 3.17Å; Y20-G31 PolarHBondContact O-N 3.48Å; Y20-W33 AromaticContact CD2-CE2 3.56Å; Y20-W33 HydrophobicContact CD2-CH2 4.06Å; Y20-W33 AromaticContact CD2-CZ2 3.29Å; Y20-W33 HydrophobicContact CD2-CZ2 3.29Å; Y20-W33 AromaticContact CD2-NE1 3.75Å; Y20-W33 HydrophobicContact CE2-CH2 4.01Å; Y20-W33 AromaticContact CE2-CZ2 3.58Å; Y20-W33 HydrophobicContact CE2-CZ2 3.58Å; Y20-W33 HydrophobicContact CG-CZ2 4.37Å; Y20-A51 HydrophobicContact CD1-CB 3.55Å; Y20-A51 HydrophobicContact CD2-CB 3.92Å; Y20-A51 HydrophobicContact CE1-CB 3.95Å; Y20-A51 HydrophobicContact CE2-CB 4.27Å; Y20-A51 HydrophobicContact CG-CB 3.49Å; Y20-A51 VanDerWaalsContact CG-CB 3.49Å; Y20-M53 HydrophobicContact CD1-CE 3.28Å; Y20-M53 HydrophobicContact CD1-SD 3.96Å; Y20-M53 HydrophobicContact CE1-CE 3.58Å; Y20-M53 HydrophobicContact CE1-SD 3.93Å; Y20-M53 HydrophobicContact CG-CE 4.29Å; Y20-F80 HydrophobicContact CD2-CD2 4.26Å; Y20-F80 HydrophobicContact CD2-CE1 4.35Å; Y20-F80 AromaticContact CD2-CE2 3.87Å; Y20-F80 HydrophobicContact CD2-CE2 3.87Å; Y20-F80 AromaticContact CD2-CZ 3.89Å; Y20-F80 HydrophobicContact CD2-CZ 3.89Å; Y20-F80 AromaticContact CE2-CD2 3.86Å; Y20-F80 HydrophobicContact CE2-CD2 3.86Å; Y20-F80 HydrophobicContact CE2-CE1 4.5Å; Y20-F80 AromaticContact CE2-CE2 3.28Å; Y20-F80 HydrophobicContact CE2-CE2 3.28Å; Y20-F80 AromaticContact CE2-CZ 3.64Å; Y20-F80 HydrophobicContact CE2-CZ 3.64Å
21H91.9Very high89.3Confident116 Ų11671.5 Ų71.554%0.53742%0.42SS..EExtended strand (participates in β ladder)trans-137.9132.1176.2-63.987.9000109.1S30 F80H21-S30 WeakPolarHBondContact CD2-CB 3.43Å; H21-F80 WeakPolarHBondContact O-CZ 3.07Å
22V87.5Confident89.3Confident25 Ų2567.9 Ų67.915%0.15239%0.388CS..EExtended strand (participates in β ladder)trans-145.9137.2176.268.10000110.5Y20 Y29Y20-V22 HydrophobicContact CD1-CG1 4.45Å; Y20-V22 HydrophobicContact CE1-CB 3.91Å; Y20-V22 HydrophobicContact CE1-CG1 3.43Å; Y20-V22 VanDerWaalsContact CE1-CG1 3.43Å; Y20-V22 WeakPolarHBondContact OH-CG1 3.42Å; V22-Y29 HydrophobicContact CG1-CD2 4.19Å; V22-Y29 HydrophobicContact CG1-CG 4.42Å; V22-Y29 PolarHBondContact N-O 3.47Å; V22-Y29 PolarHBondContact O-N 2.99Å
23T83.9Confident89.3Confident93 Ų9365.7 Ų65.757%0.57137%0.372SS*.EExtended strand (participates in β ladder)trans-94.6125.6161.4-48.80000107.1S27 N28T23-S27 CarbonylContact C-O 3.41Å; T23-S27 WeakPolarHBondContact CA-O 3.45Å; T23-N28 WeakPolarHBondContact CB-OD1 3.14Å; T23-N28 PolarHBondContact OG1-OD1 3.06Å
24Y73.6Confident89.2Confident88 Ų8862.6 Ų62.635%0.34536%0.36SS..EExtended strand (participates in β ladder)trans-129.3118.2175.2-170.1-92000108.2D26 S27Y24-D26 PolarHBondContact O-N 3.32Å; Y24-S27 PolarHBondContact N-O 2.87Å; Y24-S27 WeakPolarHBondContact O-CB 3.46Å; Y24-S27 PolarHBondContact O-N 2.79Å
25L70.5Confident89.3Confident131 Ų13159.8 Ų59.869%0.68634%0.343SS*.THydrogen-bonded Turntrans51.8-129.5-164.7-56.3173.7000110.2S27L25-S27 VanDerWaalsContact C-N 3.28Å; L25-S27 PolarHBondContact O-N 3.06Å
26D69.8Low89.3Confident166 Ų16656.9 Ų56.989%0.88832%0.318SS*.THydrogen-bonded Turntrans-88.68179-59.2-38.1000113.1Y24Y24-D26 PolarHBondContact O-N 3.32Å
27S73.1Confident89.3Confident13 Ų1355.8 Ų55.89%0.09131%0.314CS..EExtended strand (participates in β ladder)trans-111.1139.5-173-69.80000111.9T23 Y24 L25 Y29 N58 D60T23-S27 CarbonylContact C-O 3.41Å; T23-S27 WeakPolarHBondContact CA-O 3.45Å; Y24-S27 PolarHBondContact N-O 2.87Å; Y24-S27 WeakPolarHBondContact O-CB 3.46Å; Y24-S27 PolarHBondContact O-N 2.79Å; L25-S27 VanDerWaalsContact C-N 3.28Å; L25-S27 PolarHBondContact O-N 3.06Å; S27-Y29 VanDerWaalsContact CB-CE2 3.42Å; S27-Y29 WeakPolarHBondContact CB-OH 3.43Å; S27-N58 WeakPolarHBondContact OG-CB 3.4Å; S27-D60 PolarHBondContact OG-OD2 3.16Å
28N83.7Confident89.4Confident96 Ų9655.4 Ų55.451%0.51330%0.299SS..EExtended strand (participates in β ladder)trans-106.4132.1173.6-70.2-68.2000110.2T23T23-N28 WeakPolarHBondContact CB-OD1 3.14Å; T23-N28 PolarHBondContact OG1-OD1 3.06Å
29Y87.2Confident89.3Confident36 Ų3661.5 Ų61.514%0.14132%0.315CS..EExtended strand (participates in β ladder)trans-123.8138.2178.7-51.6-100000109V22 S27 S55 I56 N58 D60V22-Y29 HydrophobicContact CG1-CD2 4.19Å; V22-Y29 HydrophobicContact CG1-CG 4.42Å; V22-Y29 PolarHBondContact N-O 3.47Å; V22-Y29 PolarHBondContact O-N 2.99Å; S27-Y29 VanDerWaalsContact CB-CE2 3.42Å; S27-Y29 WeakPolarHBondContact CB-OH 3.43Å; Y29-S55 WeakPolarHBondContact CA-O 3.39Å; Y29-I56 HydrophobicContact CD1-CG1 4.35Å; Y29-I56 HydrophobicContact CD1-CG2 4.06Å; Y29-I56 HydrophobicContact CE1-CG2 3.88Å; Y29-N58 PolarHBondContact OH-ND2 3.45Å; Y29-D60 PolarHBondContact OH-OD2 3.34Å
30S91.7Very high89.2Confident33 Ų3359.7 Ų59.723%0.23130%0.298CS..EExtended strand (participates in β ladder)trans-138.5154.9173.2740000112.7Y20 H21 R54 S55Y20-S30 CarbonylContact O-C 3.57Å; Y20-S30 VanDerWaalsContact O-CA 3.3Å; Y20-S30 WeakPolarHBondContact O-CA 3.3Å; H21-S30 WeakPolarHBondContact CD2-CB 3.43Å; S30-R54 PolarHBondContact O-N 3.34Å; S30-S55 PolarHBondContact N-O 3.46Å; S30-S55 VanDerWaalsContact N-O 3.1Å; S30-S55 PolarHBondContact O-N 2.95Å; S30-S55 WeakPolarHBondContact OG-CB 3.19Å
31G94.6Very high89.1Confident12 Ų1265 Ų6512%0.12433%0.329CS..EExtended strand (participates in β ladder)trans-179.2-152.3-173.400000111.3Y20 E52Y20-G31 PolarHBondContact N-O 3.17Å; Y20-G31 PolarHBondContact O-N 3.48Å; G31-E52 WeakPolarHBondContact CA-O 3.26Å
32F96.5Very high89Confident51 Ų5164 Ų6422%0.22434%0.335CS..EExtended strand (participates in β ladder)trans-142.7159.617657.6-98.6000111.2S18 S34 A51 E52 R54S18-F32 CarbonylContact O-C 3.55Å; S18-F32 VanDerWaalsContact O-CA 3.28Å; S18-F32 WeakPolarHBondContact O-CA 3.43Å; S18-F32 WeakPolarHBondContact O-CB 3.39Å; F32-S34 WeakPolarHBondContact CE2-OG 3.27Å; F32-A51 CarbonylContact O-C 3.29Å; F32-A51 WeakPolarHBondContact O-CA 3.43Å; F32-E52 HydrophobicContact CE2-CB 4.29Å; F32-E52 HydrophobicContact CE2-CG 4.44Å; F32-E52 HydrophobicContact CZ-CB 4.43Å; F32-E52 PolarHBondContact N-O 2.92Å; F32-E52 PolarHBondContact O-N 3.49Å; F32-R54 HydrophobicContact CD1-CG 4Å; F32-R54 HydrophobicContact CE1-CG 3.82Å; F32-R54 VanDerWaalsContact CZ-NH2 3.29Å
33W97.7Very high89.3Confident22 Ų2264.5 Ų64.58%0.08334%0.337CS..EExtended strand (participates in β ladder)trans-77.2141.6175.6-69.8101.3000111.6D16 G17 S18 Y20 F50 A51 F80 K82D16-W33 HydrophobicContact CB-CB 4.11Å; D16-W33 WeakPolarHBondContact CB-O 3.25Å; G17-W33 PolarHBondContact N-O 3.08Å; S18-W33 PolarHBondContact O-N 3.41Å; Y20-W33 AromaticContact CD2-CE2 3.56Å; Y20-W33 HydrophobicContact CD2-CH2 4.06Å; Y20-W33 AromaticContact CD2-CZ2 3.29Å; Y20-W33 HydrophobicContact CD2-CZ2 3.29Å; Y20-W33 AromaticContact CD2-NE1 3.75Å; Y20-W33 HydrophobicContact CE2-CH2 4.01Å; Y20-W33 AromaticContact CE2-CZ2 3.58Å; Y20-W33 HydrophobicContact CE2-CZ2 3.58Å; Y20-W33 HydrophobicContact CG-CZ2 4.37Å; W33-F50 VanDerWaalsContact CE3-C 3.47Å; W33-A51 HydrophobicContact CD2-CB 4.36Å; W33-A51 HydrophobicContact CE3-CB 4.15Å; W33-A51 HydrophobicContact CZ3-CB 4.23Å; W33-F80 HydrophobicContact CH2-CB 4.48Å; W33-F80 HydrophobicContact CH2-CD2 4.3Å; W33-F80 HydrophobicContact CZ2-CB 3.6Å; W33-F80 HydrophobicContact CZ2-CD1 4.49Å; W33-F80 AromaticContact CZ2-CD2 3.61Å; W33-F80 HydrophobicContact CZ2-CD2 3.61Å; W33-F80 HydrophobicContact CZ2-CE2 4.34Å; W33-F80 AromaticContact CZ2-CG 3.67Å; W33-F80 HydrophobicContact CZ2-CG 3.67Å; W33-K82 HydrophobicContact CD2-CD 4.43Å; W33-K82 HydrophobicContact CD2-CG 3.98Å; W33-K82 HydrophobicContact CE3-CD 4.49Å; W33-K82 HydrophobicContact CE3-CG 3.87Å; W33-K82 HydrophobicContact CH2-CB 4.25Å; W33-K82 HydrophobicContact CH2-CG 3.83Å; W33-K82 HydrophobicContact CZ2-CG 3.91Å; W33-K82 HydrophobicContact CZ3-CB 4.18Å; W33-K82 HydrophobicContact CZ3-CG 3.8Å
34S98.4Very high89.8Confident0 Ų062.3 Ų62.30%032%0.324CS..EExtended strand (participates in β ladder)trans-136.8158.8174.1-71.10000109.3F32 S49 F50 E52F32-S34 WeakPolarHBondContact CE2-OG 3.27Å; S34-S49 CarbonylContact O-C 3.44Å; S34-S49 VanDerWaalsContact O-CA 3.3Å; S34-S49 WeakPolarHBondContact O-CA 3.08Å; S34-F50 PolarHBondContact N-O 3.2Å; S34-F50 PolarHBondContact O-N 2.78Å; S34-F50 VanDerWaalsContact O-O 3.07Å; S34-E52 WeakPolarHBondContact CB-OE1 3.49Å; S34-E52 PolarHBondContact OG-OE1 3.07Å
35V98.5Very high90.9Very high21 Ų2158.1 Ų58.113%0.12731%0.307CS..EExtended strand (participates in β ladder)trans-123.4130.5174.4178.30000108.5Y13 V14 N47 Q48Y13-V35 CarbonylContact C-O 3.55Å; Y13-V35 WeakPolarHBondContact CA-O 3.34Å; V14-V35 HydrophobicContact CB-CB 4.15Å; V14-V35 PolarHBondContact N-O 2.67Å; V14-V35 PolarHBondContact O-N 2.85Å; V35-N47 HydrophobicContact CG1-CB 4.31Å; V35-Q48 WeakPolarHBondContact CA-O 3.05Å
36D98.6Very high92.2Very high8 Ų859.4 Ų59.44%0.04330%0.303CS..EExtended strand (participates in β ladder)trans-154.8-175.7174.7-153.1-17.9000110.7Y5 S10 T12 Y13 N47 Q48 F50Y5-D36 PolarHBondContact OH-OD2 2.95Å; S10-D36 WeakPolarHBondContact CB-OD2 3.19Å; S10-D36 VanDerWaalsContact OG-CG 3.25Å; S10-D36 PolarHBondContact OG-OD1 3.24Å; S10-D36 VanDerWaalsContact OG-OD1 3.12Å; S10-D36 PolarHBondContact OG-OD2 3.11Å; T12-D36 VanDerWaalsContact CB-OD1 3.32Å; T12-D36 WeakPolarHBondContact CB-OD1 3.24Å; T12-D36 PolarHBondContact OG1-OD1 2.69Å; Y13-D36 PolarHBondContact N-OD1 2.73Å; D36-N47 PolarHBondContact O-N 3.19Å; D36-Q48 PolarHBondContact N-O 3.35Å; D36-Q48 VanDerWaalsContact N-O 3.11Å; D36-Q48 PolarHBondContact O-N 3.31Å; D36-F50 HydrophobicContact CB-CE1 3.67Å; D36-F50 HydrophobicContact CB-CZ 4.28Å
37T97.9Very high93.5Very high40 Ų4056.9 Ų56.925%0.24529%0.29CS..EExtended strand (participates in β ladder)trans-91.4119.8173-60.30000110.4V44 I45 R46T37-V44 HydrophobicContact CG2-CG1 3.57Å; T37-I45 CarbonylContact C-O 3.5Å; T37-I45 VanDerWaalsContact CA-O 3.3Å; T37-I45 WeakPolarHBondContact CA-O 3.43Å; T37-R46 HydrophobicContact CG2-CG 4.3Å
38I96.3Very high94.7Very high42 Ų4256.6 Ų56.622%0.21529%0.287CS..EExtended strand (participates in β ladder)trans-91.7136.9170.4-61.2-170.6000109I40 I45 Q48I38-I40 HydrophobicContact CG2-CD1 4.47Å; I38-I40 HydrophobicContact CG2-CG1 4.04Å; I38-I45 HydrophobicContact CB-CB 4.39Å; I38-I45 HydrophobicContact CB-CD1 4.37Å; I38-I45 HydrophobicContact CG2-CD1 4.27Å; I38-I45 PolarHBondContact N-O 2.96Å; I38-I45 PolarHBondContact O-N 2.79Å; I38-Q48 HydrophobicContact CD1-CB 4.12Å; I38-Q48 HydrophobicContact CD1-CG 3.47Å; I38-Q48 VanDerWaalsContact CD1-CG 3.47Å; I38-Q48 HydrophobicContact CG1-CB 3.98Å; I38-Q48 HydrophobicContact CG1-CG 3.91Å
39R95Very high95.4Very high177 Ų17753.3 Ų53.367%0.66827%0.271SS*.EExtended strand (participates in β ladder)trans-117125.4172-166.9-174.3-48.2-96.6-4.6109.9N41 L43 V44R39-N41 WeakPolarHBondContact CG-O 3.27Å; R39-L43 VanDerWaalsContact CA-O 3.29Å; R39-L43 WeakPolarHBondContact CA-O 2.93Å; R39-L43 WeakPolarHBondContact CG-O 3.44Å; R39-V44 HydrophobicContact CG-CG2 4.48Å
40I93.1Very high95.9Very high45 Ų4553.8 Ų53.823%0.23127%0.274CS..EExtended strand (participates in β ladder)trans-121.4104.8173.1-57.4177.7000106.7I38 S42 L43 I45 I70 M85I38-I40 HydrophobicContact CG2-CD1 4.47Å; I38-I40 HydrophobicContact CG2-CG1 4.04Å; I40-S42 PolarHBondContact O-N 2.93Å; I40-L43 PolarHBondContact N-O 2.91Å; I40-L43 VanDerWaalsContact O-CB 3.3Å; I40-L43 WeakPolarHBondContact O-CB 3.45Å; I40-L43 PolarHBondContact O-N 3.08Å; I40-I45 HydrophobicContact CD1-CD1 4.12Å; I40-I45 HydrophobicContact CG1-CD1 4.38Å; I40-I70 HydrophobicContact CD1-CD1 4.35Å; I40-M85 HydrophobicContact CD1-CE 3.77Å; I40-M85 HydrophobicContact CD1-CG 4.46Å; I40-M85 HydrophobicContact CD1-SD 3.95Å
41N91Very high96.1Very high149 Ų14953.5 Ų53.580%0.79727%0.273SS*.THydrogen-bonded Turntrans52.5-119.1-170.4-168.65.3000111.2R39R39-N41 WeakPolarHBondContact CG-O 3.27Å
42S91.2Very high96.1Very high96 Ų9653.4 Ų53.467%0.67127%0.27SS*.THydrogen-bonded Turntrans-83.3-11.917757.10000114I40I40-S42 PolarHBondContact O-N 2.93Å
43L93.5Very high95.8Very high35 Ų3553.5 Ų53.518%0.18327%0.272CS..EExtended strand (participates in β ladder)trans-78.4130-178.2-57.7173.2000110.3R39 I40 L89 V94 M96 L118R39-L43 VanDerWaalsContact CA-O 3.29Å; R39-L43 WeakPolarHBondContact CA-O 2.93Å; R39-L43 WeakPolarHBondContact CG-O 3.44Å; I40-L43 PolarHBondContact N-O 2.91Å; I40-L43 VanDerWaalsContact O-CB 3.3Å; I40-L43 WeakPolarHBondContact O-CB 3.45Å; I40-L43 PolarHBondContact O-N 3.08Å; L43-L89 HydrophobicContact CB-CD1 4.07Å; L43-L89 HydrophobicContact CD1-CD1 4.29Å; L43-L89 HydrophobicContact CD1-CD2 4.04Å; L43-L89 HydrophobicContact CD2-CD1 4.34Å; L43-L89 HydrophobicContact CG-CD1 4.47Å; L43-V94 HydrophobicContact CD2-CG1 4.11Å; L43-M96 HydrophobicContact CD1-CE 4.22Å; L43-M96 HydrophobicContact CD2-CE 3.8Å; L43-L118 HydrophobicContact CD1-CB 4.4Å; L43-L118 HydrophobicContact CD1-CD1 3.72Å
44V94.9Very high95.4Very high48 Ų4859.8 Ų59.829%0.29130%0.295SS..EExtended strand (participates in β ladder)trans-117.1114.9178.7-178.40000108.6T37 R39 R46T37-V44 HydrophobicContact CG2-CG1 3.57Å; R39-V44 HydrophobicContact CG-CG2 4.48Å; V44-R46 HydrophobicContact CG1-CG 4.2Å
45I96.5Very high94.7Very high0 Ų060.9 Ų60.90%030%0.303CS..EExtended strand (participates in β ladder)trans-110.899.3-176.9-54.2149.6000107.2T37 I38 I40 Q48 M85 N88 L89T37-I45 CarbonylContact C-O 3.5Å; T37-I45 VanDerWaalsContact CA-O 3.3Å; T37-I45 WeakPolarHBondContact CA-O 3.43Å; I38-I45 HydrophobicContact CB-CB 4.39Å; I38-I45 HydrophobicContact CB-CD1 4.37Å; I38-I45 HydrophobicContact CG2-CD1 4.27Å; I38-I45 PolarHBondContact N-O 2.96Å; I38-I45 PolarHBondContact O-N 2.79Å; I40-I45 HydrophobicContact CD1-CD1 4.12Å; I40-I45 HydrophobicContact CG1-CD1 4.38Å; I45-Q48 HydrophobicContact CG2-CB 4.17Å; I45-M85 HydrophobicContact CD1-CG 3.77Å; I45-M85 HydrophobicContact CD1-SD 3.58Å; I45-M85 VanDerWaalsContact CD1-SD 3.58Å; I45-N88 HydrophobicContact CG2-CB 4.18Å; I45-N88 WeakPolarHBondContact CG2-ND2 3.37Å; I45-L89 HydrophobicContact CD1-CB 4.32Å; I45-L89 HydrophobicContact CD1-CD1 4.21Å; I45-L89 HydrophobicContact CG1-CB 3.95Å; I45-L89 HydrophobicContact CG1-CD1 3.56Å; I45-L89 HydrophobicContact CG1-CG 4.3Å
46R97.5Very high93.8Very high157 Ų15762.5 Ų62.559%0.59231%0.31SS*.EExtended strand (participates in β ladder)trans-80.4156.9-179.4-58.1-178.2179.3-167.1-0.2110.5T37 V44 Q48 N88 N92T37-R46 HydrophobicContact CG2-CG 4.3Å; V44-R46 HydrophobicContact CG1-CG 4.2Å; R46-Q48 PolarHBondContact O-N 2.95Å; R46-N88 PolarHBondContact O-ND2 2.71Å; R46-N92 WeakPolarHBondContact CB-OD1 3.46Å; R46-N92 PolarHBondContact N-OD1 2.76Å; R46-N92 PolarHBondContact O-ND2 2.8Å
47N97.6Very high92.2Very high114 Ų11470 Ų7061%0.6134%0.343SS*.EExtended strand (participates in β ladder)trans54.238.1174.5-54.5-37.3000113.4V35 D36V35-N47 HydrophobicContact CG1-CB 4.31Å; D36-N47 PolarHBondContact O-N 3.19Å
48Q98.2Very high90.5Very high6 Ų669.5 Ų69.53%0.02834%0.339CS..EExtended strand (participates in β ladder)trans-83.1119.9178.5-178.454.954.100110.2V35 D36 I38 I45 R46 I83 N88V35-Q48 WeakPolarHBondContact CA-O 3.05Å; D36-Q48 PolarHBondContact N-O 3.35Å; D36-Q48 VanDerWaalsContact N-O 3.11Å; D36-Q48 PolarHBondContact O-N 3.31Å; I38-Q48 HydrophobicContact CD1-CB 4.12Å; I38-Q48 HydrophobicContact CD1-CG 3.47Å; I38-Q48 VanDerWaalsContact CD1-CG 3.47Å; I38-Q48 HydrophobicContact CG1-CB 3.98Å; I38-Q48 HydrophobicContact CG1-CG 3.91Å; I45-Q48 HydrophobicContact CG2-CB 4.17Å; R46-Q48 PolarHBondContact O-N 2.95Å; Q48-I83 PolarHBondContact NE2-O 2.91Å; Q48-N88 WeakPolarHBondContact CA-ND2 3.25Å; Q48-N88 PolarHBondContact OE1-ND2 2.84Å
49S97.7Very high88.8Confident27 Ų2777.6 Ų77.619%0.18937%0.367CS..EExtended strand (participates in β ladder)trans-72.1131.5167.3-56.80000110.8S34S34-S49 CarbonylContact O-C 3.44Å; S34-S49 VanDerWaalsContact O-CA 3.3Å; S34-S49 WeakPolarHBondContact O-CA 3.08Å
50F97.6Very high87.1Confident47 Ų4771.4 Ų71.421%0.20635%0.347CS..EExtended strand (participates in β ladder)trans-144.6161.5170.966.1-77.9000109.3Y5 W33 S34 D36 E52Y5-F50 AromaticContact CD1-CE2 3.86Å; Y5-F50 HydrophobicContact CD1-CE2 3.86Å; Y5-F50 AromaticContact CD1-CZ 3.85Å; Y5-F50 HydrophobicContact CD1-CZ 3.85Å; Y5-F50 HydrophobicContact CD2-CZ 4.43Å; Y5-F50 HydrophobicContact CE1-CE2 4.01Å; Y5-F50 AromaticContact CE1-CZ 3.52Å; Y5-F50 HydrophobicContact CE1-CZ 3.52Å; Y5-F50 HydrophobicContact CE2-CZ 4.17Å; Y5-F50 HydrophobicContact CG-CE2 4.21Å; Y5-F50 HydrophobicContact CG-CZ 4.28Å; Y5-F50 AromaticContact CZ-CZ 3.71Å; W33-F50 VanDerWaalsContact CE3-C 3.47Å; S34-F50 PolarHBondContact N-O 3.2Å; S34-F50 PolarHBondContact O-N 2.78Å; S34-F50 VanDerWaalsContact O-O 3.07Å; D36-F50 HydrophobicContact CB-CE1 3.67Å; D36-F50 HydrophobicContact CB-CZ 4.28Å; F50-E52 HydrophobicContact CD2-CG 4.39Å; F50-E52 HydrophobicContact CE2-CG 3.71Å; F50-E52 HydrophobicContact CZ-CG 4.4Å
51A95.8Very high85.4Confident26 Ų2672.9 Ų72.922%0.21535%0.35CS..EExtended strand (participates in β ladder)trans-100.7126.8178.900000109.8Y20 F32 W33 M53Y20-A51 HydrophobicContact CD1-CB 3.55Å; Y20-A51 HydrophobicContact CD2-CB 3.92Å; Y20-A51 HydrophobicContact CE1-CB 3.95Å; Y20-A51 HydrophobicContact CE2-CB 4.27Å; Y20-A51 HydrophobicContact CG-CB 3.49Å; Y20-A51 VanDerWaalsContact CG-CB 3.49Å; F32-A51 CarbonylContact O-C 3.29Å; F32-A51 WeakPolarHBondContact O-CA 3.43Å; W33-A51 HydrophobicContact CD2-CB 4.36Å; W33-A51 HydrophobicContact CE3-CB 4.15Å; W33-A51 HydrophobicContact CZ3-CB 4.23Å; A51-M53 HydrophobicContact CB-CE 3.32Å; A51-M53 WeakPolarHBondContact O-CE 3.44Å
52E94.7Very high83.9Confident11 Ų1173.9 Ų73.95%0.05135%0.347CS..EExtended strand (participates in β ladder)trans-85.2113.5171.2-68.3179.6-136.300109Y5 G31 F32 S34 F50 R54Y5-E52 VanDerWaalsContact CD1-CD 3.43Å; Y5-E52 HydrophobicContact CD1-CG 3.71Å; Y5-E52 HydrophobicContact CE1-CG 4.17Å; Y5-E52 VanDerWaalsContact CE1-OE1 3.26Å; Y5-E52 WeakPolarHBondContact CE1-OE1 3.49Å; G31-E52 WeakPolarHBondContact CA-O 3.26Å; F32-E52 HydrophobicContact CE2-CB 4.29Å; F32-E52 HydrophobicContact CE2-CG 4.44Å; F32-E52 HydrophobicContact CZ-CB 4.43Å; F32-E52 PolarHBondContact N-O 2.92Å; F32-E52 PolarHBondContact O-N 3.49Å; S34-E52 WeakPolarHBondContact CB-OE1 3.49Å; S34-E52 PolarHBondContact OG-OE1 3.07Å; F50-E52 HydrophobicContact CD2-CG 4.39Å; F50-E52 HydrophobicContact CE2-CG 3.71Å; F50-E52 HydrophobicContact CZ-CG 4.4Å; E52-R54 PolarHBondContact O-N 2.92Å; E52-R54 IonicContact OE2-CZ 3.72Å; E52-R54 IonicContact OE2-NH2 3.99Å; E52-R54 PolarHBondContact OE2-NH2 3.3Å
53M91.1Very high82.8Confident52 Ų5274.1 Ų74.126%0.25635%0.345SS..EExtended strand (participates in β ladder)trans-73.5129.7178.9-62.8-54.390.300110.2Y20 A51 I56Y20-M53 HydrophobicContact CD1-CE 3.28Å; Y20-M53 HydrophobicContact CD1-SD 3.96Å; Y20-M53 HydrophobicContact CE1-CE 3.58Å; Y20-M53 HydrophobicContact CE1-SD 3.93Å; Y20-M53 HydrophobicContact CG-CE 4.29Å; A51-M53 HydrophobicContact CB-CE 3.32Å; A51-M53 WeakPolarHBondContact O-CE 3.44Å; M53-I56 HydrophobicContact CB-CD1 4Å; M53-I56 HydrophobicContact CB-CG1 3.89Å
54R88.1Confident81.8Confident154 Ų15474.9 Ų74.958%0.58135%0.349SS*.EExtended strand (participates in β ladder)trans-110.7-25.3175.9-62.5-63.5175166.6-6.8112.2S30 F32 E52S30-R54 PolarHBondContact O-N 3.34Å; F32-R54 HydrophobicContact CD1-CG 4Å; F32-R54 HydrophobicContact CE1-CG 3.82Å; F32-R54 VanDerWaalsContact CZ-NH2 3.29Å; E52-R54 PolarHBondContact O-N 2.92Å; E52-R54 IonicContact OE2-CZ 3.72Å; E52-R54 IonicContact OE2-NH2 3.99Å; E52-R54 PolarHBondContact OE2-NH2 3.3Å
55S84.9Confident81.2Confident23 Ų2382.9 Ų82.916%0.16138%0.38CS..EExtended strand (participates in β ladder)trans-128.3111.8179.2-175.50000109.3Y29 S30 F57Y29-S55 WeakPolarHBondContact CA-O 3.39Å; S30-S55 PolarHBondContact N-O 3.46Å; S30-S55 VanDerWaalsContact N-O 3.1Å; S30-S55 PolarHBondContact O-N 2.95Å; S30-S55 WeakPolarHBondContact OG-CB 3.19Å; S55-F57 WeakPolarHBondContact OG-CD2 3.37Å; S55-F57 WeakPolarHBondContact OG-CE2 3.44Å
56I77.9Confident80.7Confident55 Ų5587.9 Ų87.928%0.28240%0.4SS..EExtended strand (participates in β ladder)trans-123.291.8176.8-54.4173.1000105.5Y29 M53 N58Y29-I56 HydrophobicContact CD1-CG1 4.35Å; Y29-I56 HydrophobicContact CD1-CG2 4.06Å; Y29-I56 HydrophobicContact CE1-CG2 3.88Å; M53-I56 HydrophobicContact CB-CD1 4Å; M53-I56 HydrophobicContact CB-CG1 3.89Å; I56-N58 PolarHBondContact O-N 2.82Å
57F65.5Low80.2Confident167 Ų16784.4 Ų84.473%0.73239%0.393SS*.  trans-97.881.1-179.1-71.5-64.3000110.1S55S55-F57 WeakPolarHBondContact OG-CD2 3.37Å; S55-F57 WeakPolarHBondContact OG-CE2 3.44Å
58N62.5Low79.8Confident28 Ų2881.6 Ų81.615%0.1539%0.391CS..SBendtrans-156.2163.6174.46218000114.1S27 Y29 I56 D60 Y61S27-N58 WeakPolarHBondContact OG-CB 3.4Å; Y29-N58 PolarHBondContact OH-ND2 3.45Å; I56-N58 PolarHBondContact O-N 2.82Å; N58-D60 HydrophobicContact CB-CB 4.23Å; N58-D60 VanDerWaalsContact CG-CB 3.46Å; N58-D60 VanDerWaalsContact ND2-CB 3.27Å; N58-D60 WeakPolarHBondContact ND2-CB 3.42Å; N58-D60 PolarHBondContact ND2-OD2 3.09Å; N58-D60 PolarHBondContact O-N 3.23Å; N58-D60 PolarHBondContact OD1-N 3.46Å; N58-Y61 PolarHBondContact OD1-N 3.29Å
59R60.1Low79.5Confident213 Ų21386.4 Ų86.480%0.80442%0.42SS*.THydrogen-bonded Turntrans-67.4-19.6164.5-75.4-175.2176.1-155.9-0.3111.9Y61 F62R59-Y61 PolarHBondContact O-N 3.12Å; R59-F62 PolarHBondContact O-N 3.24Å
60D59Low79.3Confident46 Ų4689.4 Ų89.425%0.24643%0.433CS..Hα-helixtrans-61.7-28.6-177.4-38.3-25.2000111.3S27 Y29 N58 F62 T63 N64S27-D60 PolarHBondContact OG-OD2 3.16Å; Y29-D60 PolarHBondContact OH-OD2 3.34Å; N58-D60 HydrophobicContact CB-CB 4.23Å; N58-D60 VanDerWaalsContact CG-CB 3.46Å; N58-D60 VanDerWaalsContact ND2-CB 3.27Å; N58-D60 WeakPolarHBondContact ND2-CB 3.42Å; N58-D60 PolarHBondContact ND2-OD2 3.09Å; N58-D60 PolarHBondContact O-N 3.23Å; N58-D60 PolarHBondContact OD1-N 3.46Å; D60-F62 PolarHBondContact O-N 3.23Å; D60-F62 VanDerWaalsContact O-N 3.08Å; D60-T63 PolarHBondContact O-N 2.96Å; D60-N64 WeakPolarHBondContact CB-ND2 3.47Å; D60-N64 WeakPolarHBondContact O-CB 3Å; D60-N64 PolarHBondContact O-N 3.01Å
61Y57.4Low79.1Confident76 Ų7689.4 Ų89.430%0.29845%0.447SS..Hα-helixtrans-53.6-25.7169.7-175.4-97.4000114F2 F4 N58 R59F2-Y61 HydrophobicContact CB-CE2 4.09Å; F2-Y61 AromaticContact CD2-CD2 3.5Å; F2-Y61 HydrophobicContact CD2-CD2 3.5Å; F2-Y61 AromaticContact CD2-CE2 3.35Å; F2-Y61 HydrophobicContact CD2-CE2 3.35Å; F2-Y61 HydrophobicContact CD2-CG 4.31Å; F2-Y61 AromaticContact CE2-CD2 3.68Å; F2-Y61 HydrophobicContact CE2-CD2 3.68Å; F2-Y61 HydrophobicContact CE2-CE2 4.04Å; F2-Y61 HydrophobicContact CE2-CG 4.2Å; F2-Y61 WeakPolarHBondContact CE2-O 3.41Å; F2-Y61 HydrophobicContact CG-CD2 4.17Å; F2-Y61 AromaticContact CG-CE2 3.85Å; F2-Y61 HydrophobicContact CG-CE2 3.85Å; F2-Y61 HydrophobicContact CZ-CD2 4.42Å; F4-Y61 HydrophobicContact CZ-CE2 4.38Å; N58-Y61 PolarHBondContact OD1-N 3.29Å; R59-Y61 PolarHBondContact O-N 3.12Å
62F59.9Low78.9Confident170 Ų17089.3 Ų89.375%0.74644%0.442SS*.Hα-helixtrans-96.5-13.3179.8-63-75.5000113.8R59 D60R59-F62 PolarHBondContact O-N 3.24Å; D60-F62 PolarHBondContact O-N 3.23Å; D60-F62 VanDerWaalsContact O-N 3.08Å
63T68.4Low78.7Confident101 Ų10191 Ų9162%0.6246%0.455SS*.Hα-helixtrans-121.2-26-168.354.70000113.6D60D60-T63 PolarHBondContact O-N 2.96Å
64N73.3Confident78.6Confident52 Ų5289.8 Ų89.828%0.27845%0.452SS..  trans-76.7146.1180-71.7-14.3000112.1F2 D60 Y66F2-N64 HydrophobicContact CZ-CB 4.23Å; D60-N64 WeakPolarHBondContact CB-ND2 3.47Å; D60-N64 WeakPolarHBondContact O-CB 3Å; D60-N64 PolarHBondContact O-N 3.01Å; N64-Y66 HydrophobicContact CB-CD1 4.11Å; N64-Y66 HydrophobicContact CB-CE1 3.88Å; N64-Y66 VanDerWaalsContact ND2-CZ 3.26Å; N64-Y66 PolarHBondContact ND2-OH 3.26Å
65K81.7Confident78.7Confident215 Ų21586.7 Ų86.794%0.93544%0.44SS*.  trans-100.2-3.4177.3-63.9-176.2179.3178.50113.6
66Y85.8Confident78.9Confident105 Ų10595.6 Ų95.641%0.41247%0.47SS..  trans-107.4147.7-178.862.1-98.1000110.9F2 N64 G68 V69F2-Y66 WeakPolarHBondContact CE1-O 3.47Å; F2-Y66 WeakPolarHBondContact CZ-O 3.29Å; N64-Y66 HydrophobicContact CB-CD1 4.11Å; N64-Y66 HydrophobicContact CB-CE1 3.88Å; N64-Y66 VanDerWaalsContact ND2-CZ 3.26Å; N64-Y66 PolarHBondContact ND2-OH 3.26Å; Y66-G68 VanDerWaalsContact CD2-O 3.3Å; Y66-G68 WeakPolarHBondContact CD2-O 3.41Å; Y66-V69 HydrophobicContact CE2-CG2 4.02Å
67D87.9Confident79.5Confident85 Ų8597.8 Ų97.846%0.45548%0.481SS..SBendtrans-87.4-21.3-177.4-68.4-41000113.9F2 S3F2-D67 VanDerWaalsContact CA-OD1 3.26Å; F2-D67 WeakPolarHBondContact CA-OD1 3.19Å; F2-D67 HydrophobicContact CD1-CB 4.41Å; S3-D67 VanDerWaalsContact CB-OD2 3.26Å; S3-D67 WeakPolarHBondContact CB-OD2 3.37Å; S3-D67 PolarHBondContact N-OD1 3.27Å; S3-D67 PolarHBondContact OG-OD2 3.36Å
68G89.3Confident80.7Confident54 Ų5491.1 Ų91.156%0.55746%0.456SS*.  trans-170.9-172-176.900000112.2Y66Y66-G68 VanDerWaalsContact CD2-O 3.3Å; Y66-G68 WeakPolarHBondContact CD2-O 3.41Å
69V90.8Very high82Confident107 Ų10796.8 Ų96.865%0.64848%0.479SS*.  trans-130135-174.7179.20000110.3Y66Y66-V69 HydrophobicContact CE2-CG2 4.02Å
70I93.8Very high83.4Confident90 Ų9090.1 Ų90.146%0.46246%0.456SS..  trans-107.9112168.9-60.9177.3000107.9I40 M72 M85I40-I70 HydrophobicContact CD1-CD1 4.35Å; I70-M72 HydrophobicContact CG2-SD 4.16Å; I70-M85 HydrophobicContact CG2-CB 3.95Å; I70-M85 HydrophobicContact CG2-CE 3.73Å; I70-M85 HydrophobicContact CG2-CG 4.27Å
71G92.7Very high85.1Confident48 Ų4890.5 Ų90.550%0.49547%0.471SS..  trans-73.7126.8178.900000112.1
72M92.8Very high86.9Confident24 Ų2488.7 Ų88.712%0.11847%0.465CS..  trans-112.922.8-178.5-63.8-62.1-72.600113.2I70 M85 F86 F100 F102 M116 L118 W141I70-M72 HydrophobicContact CG2-SD 4.16Å; M72-M85 HydrophobicContact CE-CE 4.44Å; M72-M85 HydrophobicContact SD-CE 3.77Å; M72-F86 HydrophobicContact CE-CB 4.05Å; M72-F86 HydrophobicContact CE-CD2 4.42Å; M72-F86 HydrophobicContact CE-CG 4.25Å; M72-F86 HydrophobicContact SD-CB 4.33Å; M72-F100 HydrophobicContact CB-CE2 4.32Å; M72-F100 HydrophobicContact CB-CZ 4.13Å; M72-F100 HydrophobicContact CE-CB 4.4Å; M72-F100 HydrophobicContact CE-CD1 3.62Å; M72-F100 HydrophobicContact CE-CD2 3.95Å; M72-F100 HydrophobicContact CE-CE1 3.76Å; M72-F100 HydrophobicContact CE-CE2 4.1Å; M72-F100 HydrophobicContact CE-CG 3.71Å; M72-F100 HydrophobicContact CE-CZ 3.99Å; M72-F100 WeakPolarHBondContact O-CZ 2.99Å; M72-F102 HydrophobicContact CG-CZ 4.42Å; M72-M116 HydrophobicContact CE-SD 4.16Å; M72-L118 HydrophobicContact CE-CD2 3.99Å; M72-W141 PolarHBondContact O-NE1 3.33Å
73S90.6Very high88.6Confident46 Ų4684.6 Ų84.632%0.32245%0.449SS..  trans-60159.1177.269.90000112.5R75S73-R75 PolarHBondContact O-N 2.66Å
74S87.9Confident89.9Confident27 Ų2780.7 Ų80.719%0.18943%0.426CS..SBendtrans-66.70.2177.858.90000115.6R76 N138 N139 I140S74-R76 PolarHBondContact O-N 2.98Å; S74-N138 CarbonylContact C-O 3.6Å; S74-N138 VanDerWaalsContact OG-C 3.25Å; S74-N139 PolarHBondContact OG-N 3.1Å; S74-I140 VanDerWaalsContact OG-C 3.24Å; S74-I140 WeakPolarHBondContact OG-CA 3.42Å; S74-I140 PolarHBondContact OG-N 2.95Å; S74-I140 PolarHBondContact OG-O 3.2Å
75R89.9Confident90.9Very high88 Ų8878.7 Ų78.733%0.33242%0.415SS..  trans-67131.3178-70.2179.8-172-99.57111.9S73 I77 N139S73-R75 PolarHBondContact O-N 2.66Å; R75-I77 WeakPolarHBondContact CB-O 3.31Å; R75-N139 HydrophobicContact CG-CB 4.04Å; R75-N139 VanDerWaalsContact CG-O 3.27Å; R75-N139 WeakPolarHBondContact CG-O 3.37Å; R75-N139 PolarHBondContact NE-O 2.73Å; R75-N139 PolarHBondContact NH2-ND2 2.97Å; R75-N139 VanDerWaalsContact NH2-ND2 3.19Å
76R89.6Confident91.6Very high211 Ų21169.2 Ų69.280%0.79637%0.374SS*.SBendtrans-76.4-28.8164.8-62.2-174.4-179.2-168.1-0.6112.8S74 P84S74-R76 PolarHBondContact O-N 2.98Å; R76-P84 WeakPolarHBondContact O-CD 3.25Å
77I90.4Very high92Very high101 Ų10165.8 Ų65.852%0.51837%0.365SS..SBendtrans-134.3128177.5-58.7175.5000108R75R75-I77 WeakPolarHBondContact CB-O 3.31Å
78S91Very high92.4Very high27 Ų2762.6 Ų62.619%0.18935%0.347CS..  trans-66.1166.6178.268.20000112.1F80 G81 K82S78-F80 PolarHBondContact O-N 2.87Å; S78-F80 PolarHBondContact OG-N 2.03Å; S78-G81 PolarHBondContact O-N 3.28Å; S78-K82 VanDerWaalsContact CB-O 3.32Å; S78-K82 WeakPolarHBondContact CB-O 3.11Å; S78-K82 PolarHBondContact N-O 3.33Å; S78-K82 PolarHBondContact OG-N 3.27Å; S78-K82 VanDerWaalsContact OG-N 3.12Å; S78-K82 PolarHBondContact OG-O 2.93Å
79K89Confident92.7Very high146 Ų14660 Ų6064%0.63532%0.321SS*.THydrogen-bonded Turntrans-58-15.8174.671.8-179.1-174.5179.90114.2
80F91.1Very high92.9Very high73 Ų7357.3 Ų57.332%0.3230%0.302SS..THydrogen-bonded Turntrans-10111.2179.1-58.4-78.3000113.2Y20 H21 W33 S78 K82Y20-F80 HydrophobicContact CD2-CD2 4.26Å; Y20-F80 HydrophobicContact CD2-CE1 4.35Å; Y20-F80 AromaticContact CD2-CE2 3.87Å; Y20-F80 HydrophobicContact CD2-CE2 3.87Å; Y20-F80 AromaticContact CD2-CZ 3.89Å; Y20-F80 HydrophobicContact CD2-CZ 3.89Å; Y20-F80 AromaticContact CE2-CD2 3.86Å; Y20-F80 HydrophobicContact CE2-CD2 3.86Å; Y20-F80 HydrophobicContact CE2-CE1 4.5Å; Y20-F80 AromaticContact CE2-CE2 3.28Å; Y20-F80 HydrophobicContact CE2-CE2 3.28Å; Y20-F80 AromaticContact CE2-CZ 3.64Å; Y20-F80 HydrophobicContact CE2-CZ 3.64Å; H21-F80 WeakPolarHBondContact O-CZ 3.07Å; W33-F80 HydrophobicContact CH2-CB 4.48Å; W33-F80 HydrophobicContact CH2-CD2 4.3Å; W33-F80 HydrophobicContact CZ2-CB 3.6Å; W33-F80 HydrophobicContact CZ2-CD1 4.49Å; W33-F80 AromaticContact CZ2-CD2 3.61Å; W33-F80 HydrophobicContact CZ2-CD2 3.61Å; W33-F80 HydrophobicContact CZ2-CE2 4.34Å; W33-F80 AromaticContact CZ2-CG 3.67Å; W33-F80 HydrophobicContact CZ2-CG 3.67Å; S78-F80 PolarHBondContact O-N 2.87Å; S78-F80 PolarHBondContact OG-N 2.03Å; F80-K82 HydrophobicContact CB-CG 4.31Å; F80-K82 PolarHBondContact O-N 2.61Å
81G93.4Very high92.9Very high55 Ų5556.7 Ų56.757%0.56731%0.311SS*.SBendtrans75.16.3-179.400000114.7S78S78-G81 PolarHBondContact O-N 3.28Å
82K95Very high93Very high38 Ų3857.1 Ų57.117%0.16530%0.302CS..PPolyproline II helixtrans-93.1143.3179.4-48.9-58.9-179.6176.90111.3D16 W33 S78 F80 P84D16-K82 IonicContact OD1-NZ 2.76Å; D16-K82 IonicContact OD2-NZ 3.72Å; D16-K82 PolarHBondContact OD2-NZ 3.4Å; W33-K82 HydrophobicContact CD2-CD 4.43Å; W33-K82 HydrophobicContact CD2-CG 3.98Å; W33-K82 HydrophobicContact CE3-CD 4.49Å; W33-K82 HydrophobicContact CE3-CG 3.87Å; W33-K82 HydrophobicContact CH2-CB 4.25Å; W33-K82 HydrophobicContact CH2-CG 3.83Å; W33-K82 HydrophobicContact CZ2-CG 3.91Å; W33-K82 HydrophobicContact CZ3-CB 4.18Å; W33-K82 HydrophobicContact CZ3-CG 3.8Å; S78-K82 VanDerWaalsContact CB-O 3.32Å; S78-K82 WeakPolarHBondContact CB-O 3.11Å; S78-K82 PolarHBondContact N-O 3.33Å; S78-K82 PolarHBondContact OG-N 3.27Å; S78-K82 VanDerWaalsContact OG-N 3.12Å; S78-K82 PolarHBondContact OG-O 2.93Å; F80-K82 HydrophobicContact CB-CG 4.31Å; F80-K82 PolarHBondContact O-N 2.61Å; K82-P84 WeakPolarHBondContact O-CD 3.19Å
83I96.1Very high92.5Very high83 Ų8359.2 Ų59.243%0.42633%0.33SS..PPolyproline II helixtrans-76.4120.8177.2-55.7178.3000108.9Q48 P87 N88Q48-I83 PolarHBondContact NE2-O 2.91Å; I83-P87 HydrophobicContact CG2-CB 3.91Å; I83-N88 HydrophobicContact CG2-CB 3.85Å
84P95.8Very high92.2Very high20 Ų2059.4 Ų59.413%0.1333%0.329CS..PPolyproline II helixtrans-63.6163.6175.7-21.835.4000112.6R76 K82 F86 P87 N88R76-P84 WeakPolarHBondContact O-CD 3.25Å; K82-P84 WeakPolarHBondContact O-CD 3.19Å; P84-F86 PolarHBondContact O-N 3.39Å; P84-P87 HydrophobicContact CB-CG 4.4Å; P84-P87 WeakPolarHBondContact O-CD 3.29Å; P84-N88 WeakPolarHBondContact O-CB 3.32Å; P84-N88 PolarHBondContact O-N 2.89Å; P84-N88 VanDerWaalsContact O-N 3.13Å
85M95.6Very high92.2Very high9 Ų966.3 Ų66.34%0.04436%0.364CS..Hα-helixtrans-53.9-51.9-173.6-176.5-79-72.700113.1I40 I45 I70 M72 N88 L89I40-M85 HydrophobicContact CD1-CE 3.77Å; I40-M85 HydrophobicContact CD1-CG 4.46Å; I40-M85 HydrophobicContact CD1-SD 3.95Å; I45-M85 HydrophobicContact CD1-CG 3.77Å; I45-M85 HydrophobicContact CD1-SD 3.58Å; I45-M85 VanDerWaalsContact CD1-SD 3.58Å; I70-M85 HydrophobicContact CG2-CB 3.95Å; I70-M85 HydrophobicContact CG2-CE 3.73Å; I70-M85 HydrophobicContact CG2-CG 4.27Å; M72-M85 HydrophobicContact CE-CE 4.44Å; M72-M85 HydrophobicContact SD-CE 3.77Å; M85-N88 PolarHBondContact O-N 2.71Å; M85-L89 WeakPolarHBondContact O-CB 3.48Å; M85-L89 PolarHBondContact O-N 3.49Å; M85-L89 HydrophobicContact SD-CB 4.37Å; M85-L89 HydrophobicContact SD-CD2 4.45Å
86F95.2Very high92.3Very high17 Ų1763.9 Ų63.98%0.07536%0.356CS..Hα-helixtrans-67-46.9-173.1-173.8-111.8000113.5M72 P84 N88 L89 L90 M96 I99 F100 L118M72-F86 HydrophobicContact CE-CB 4.05Å; M72-F86 HydrophobicContact CE-CD2 4.42Å; M72-F86 HydrophobicContact CE-CG 4.25Å; M72-F86 HydrophobicContact SD-CB 4.33Å; P84-F86 PolarHBondContact O-N 3.39Å; F86-N88 VanDerWaalsContact C-N 3.28Å; F86-N88 PolarHBondContact O-N 2.55Å; F86-L89 HydrophobicContact CD2-CD2 4.12Å; F86-L89 HydrophobicContact CE2-CD2 4.4Å; F86-L89 WeakPolarHBondContact O-CB 3.19Å; F86-L89 PolarHBondContact O-N 3.04Å; F86-L90 HydrophobicContact CD1-CD1 4.28Å; F86-L90 HydrophobicContact CE1-CD1 3.88Å; F86-L90 HydrophobicContact CZ-CD1 4.18Å; F86-L90 HydrophobicContact CZ-CD2 4.31Å; F86-L90 HydrophobicContact CZ-CG 4.39Å; F86-L90 WeakPolarHBondContact O-CG 3.16Å; F86-L90 PolarHBondContact O-N 2.95Å; F86-L90 VanDerWaalsContact O-N 3.12Å; F86-M96 HydrophobicContact CE2-SD 4.26Å; F86-I99 VanDerWaalsContact CZ-O 3.32Å; F86-I99 WeakPolarHBondContact CZ-O 3.29Å; F86-F100 AromaticContact CD1-CD1 3.69Å; F86-F100 HydrophobicContact CD1-CD1 3.69Å; F86-F100 AromaticContact CD1-CE1 3.88Å; F86-F100 HydrophobicContact CD1-CE1 3.88Å; F86-F100 HydrophobicContact CD2-CD1 4.29Å; F86-F100 AromaticContact CE1-CD1 3.6Å; F86-F100 HydrophobicContact CE1-CD1 3.6Å; F86-F100 HydrophobicContact CE1-CE1 4.1Å; F86-F100 HydrophobicContact CE2-CB 4.49Å; F86-F100 HydrophobicContact CE2-CD1 4.22Å; F86-F100 HydrophobicContact CG-CD1 4.05Å; F86-F100 HydrophobicContact CG-CE1 4.39Å; F86-F100 AromaticContact CZ-CD1 3.89Å; F86-F100 HydrophobicContact CZ-CD1 3.89Å; F86-L118 HydrophobicContact CD2-CD2 3.95Å; F86-L118 HydrophobicContact CE2-CB 4.44Å; F86-L118 HydrophobicContact CE2-CD2 4.05Å
87P94.8Very high92.5Very high33 Ų3358.7 Ų58.721%0.21435%0.345CS..Hα-helixtrans-56.6-38.2169.6-27.134.5000114.1I83 P84 L90 A91I83-P87 HydrophobicContact CG2-CB 3.91Å; P84-P87 HydrophobicContact CB-CG 4.4Å; P84-P87 WeakPolarHBondContact O-CD 3.29Å; P87-L90 PolarHBondContact O-N 2.9Å; P87-A91 WeakPolarHBondContact O-CB 3.38Å; P87-A91 PolarHBondContact O-N 3.33Å
88N96.2Very high92.7Very high17 Ų1758.5 Ų58.59%0.09135%0.35CS..Hα-helixtrans-71-36.8178.3-167.231.6000112.1I45 R46 Q48 I83 P84 M85 F86 L90 A91 N92I45-N88 HydrophobicContact CG2-CB 4.18Å; I45-N88 WeakPolarHBondContact CG2-ND2 3.37Å; R46-N88 PolarHBondContact O-ND2 2.71Å; Q48-N88 WeakPolarHBondContact CA-ND2 3.25Å; Q48-N88 PolarHBondContact OE1-ND2 2.84Å; I83-N88 HydrophobicContact CG2-CB 3.85Å; P84-N88 WeakPolarHBondContact O-CB 3.32Å; P84-N88 PolarHBondContact O-N 2.89Å; P84-N88 VanDerWaalsContact O-N 3.13Å; M85-N88 PolarHBondContact O-N 2.71Å; F86-N88 VanDerWaalsContact C-N 3.28Å; F86-N88 PolarHBondContact O-N 2.55Å; N88-L90 VanDerWaalsContact C-N 3.34Å; N88-L90 PolarHBondContact O-N 3.04Å; N88-A91 PolarHBondContact O-N 3.18Å; N88-N92 PolarHBondContact O-N 3.3Å; N88-N92 PolarHBondContact O-ND2 3.38Å; N88-N92 PolarHBondContact OD1-ND2 3.41Å
89L95.4Very high92.8Very high0 Ų060.7 Ų60.70%036%0.359CS..Hα-helixtrans-56.9-47.7172.8172.664.7000111.1L43 I45 M85 F86 A91 N92 V94 M96 L118L43-L89 HydrophobicContact CB-CD1 4.07Å; L43-L89 HydrophobicContact CD1-CD1 4.29Å; L43-L89 HydrophobicContact CD1-CD2 4.04Å; L43-L89 HydrophobicContact CD2-CD1 4.34Å; L43-L89 HydrophobicContact CG-CD1 4.47Å; I45-L89 HydrophobicContact CD1-CB 4.32Å; I45-L89 HydrophobicContact CD1-CD1 4.21Å; I45-L89 HydrophobicContact CG1-CB 3.95Å; I45-L89 HydrophobicContact CG1-CD1 3.56Å; I45-L89 HydrophobicContact CG1-CG 4.3Å; M85-L89 WeakPolarHBondContact O-CB 3.48Å; M85-L89 PolarHBondContact O-N 3.49Å; M85-L89 HydrophobicContact SD-CB 4.37Å; M85-L89 HydrophobicContact SD-CD2 4.45Å; F86-L89 HydrophobicContact CD2-CD2 4.12Å; F86-L89 HydrophobicContact CE2-CD2 4.4Å; F86-L89 WeakPolarHBondContact O-CB 3.19Å; F86-L89 PolarHBondContact O-N 3.04Å; L89-A91 VanDerWaalsContact C-N 3.32Å; L89-A91 PolarHBondContact O-N 3.49Å; L89-N92 PolarHBondContact O-N 2.88Å; L89-V94 HydrophobicContact CD1-CG2 3.81Å; L89-M96 HydrophobicContact CD1-CE 4.11Å; L89-M96 HydrophobicContact CD2-CE 3.75Å; L89-M96 HydrophobicContact CD2-SD 3.89Å; L89-M96 HydrophobicContact CG-CE 3.92Å; L89-M96 HydrophobicContact CG-SD 4.25Å; L89-L118 HydrophobicContact CD2-CD1 3.88Å
90L94Very high93.1Very high50 Ų5055.8 Ų55.826%0.26234%0.337SS..Hα-helixtrans-62-41175.8-63172.1000111.5F86 P87 N88 N92 G93 M96 P98F86-L90 HydrophobicContact CD1-CD1 4.28Å; F86-L90 HydrophobicContact CE1-CD1 3.88Å; F86-L90 HydrophobicContact CZ-CD1 4.18Å; F86-L90 HydrophobicContact CZ-CD2 4.31Å; F86-L90 HydrophobicContact CZ-CG 4.39Å; F86-L90 WeakPolarHBondContact O-CG 3.16Å; F86-L90 PolarHBondContact O-N 2.95Å; F86-L90 VanDerWaalsContact O-N 3.12Å; P87-L90 PolarHBondContact O-N 2.9Å; N88-L90 VanDerWaalsContact C-N 3.34Å; N88-L90 PolarHBondContact O-N 3.04Å; L90-N92 VanDerWaalsContact C-N 3.27Å; L90-N92 PolarHBondContact O-N 3.38Å; L90-G93 PolarHBondContact O-N 3.27Å; L90-M96 HydrophobicContact CD2-CG 3.56Å; L90-M96 HydrophobicContact CD2-SD 4Å; L90-P98 HydrophobicContact CD1-CB 3.77Å
91A94.2Very high93.4Very high78 Ų7853.6 Ų53.665%0.64533%0.331SS*.Hα-helixtrans-68.1-22.317800000114P87 N88 L89 G93P87-A91 WeakPolarHBondContact O-CB 3.38Å; P87-A91 PolarHBondContact O-N 3.33Å; N88-A91 PolarHBondContact O-N 3.18Å; L89-A91 VanDerWaalsContact C-N 3.32Å; L89-A91 PolarHBondContact O-N 3.49Å; A91-G93 PolarHBondContact O-N 3.46Å; A91-G93 VanDerWaalsContact O-N 3.17Å
92N94.3Very high93.5Very high57 Ų5754.7 Ų54.731%0.30532%0.32SS..THydrogen-bonded Turntrans-73.25.1173.5-86.1-100.6000113R46 N88 L89 L90R46-N92 WeakPolarHBondContact CB-OD1 3.46Å; R46-N92 PolarHBondContact N-OD1 2.76Å; R46-N92 PolarHBondContact O-ND2 2.8Å; N88-N92 PolarHBondContact O-N 3.3Å; N88-N92 PolarHBondContact O-ND2 3.38Å; N88-N92 PolarHBondContact OD1-ND2 3.41Å; L89-N92 PolarHBondContact O-N 2.88Å; L90-N92 VanDerWaalsContact C-N 3.27Å; L90-N92 PolarHBondContact O-N 3.38Å
93G83.2Confident93.4Very high68 Ų6855.9 Ų55.970%0.70132%0.324SS*.THydrogen-bonded Turntrans81.820.717200000114.1L90 A91 N95L90-G93 PolarHBondContact O-N 3.27Å; A91-G93 PolarHBondContact O-N 3.46Å; A91-G93 VanDerWaalsContact O-N 3.17Å; G93-N95 PolarHBondContact O-N 3.19Å
94V83.4Confident93.2Very high49 Ų4956.6 Ų56.630%0.29733%0.328SS..  trans-72.8124.3175.1-170.60000109.1L43 L89 M96L43-V94 HydrophobicContact CD2-CG1 4.11Å; L89-V94 HydrophobicContact CD1-CG2 3.81Å; V94-M96 VanDerWaalsContact C-N 3.29Å; V94-M96 HydrophobicContact CB-CE 3.74Å; V94-M96 HydrophobicContact CG1-CE 3.24Å; V94-M96 HydrophobicContact CG1-CG 4.39Å; V94-M96 HydrophobicContact CG2-CE 4.42Å; V94-M96 PolarHBondContact O-N 3.27Å
95N88.7Confident93Very high173 Ų17357.6 Ų57.693%0.92533%0.332SS*.  trans-73.383.6177.4-17337.5000110.2G93G93-N95 PolarHBondContact O-N 3.19Å
96M91.5Very high92.3Very high36 Ų3662.1 Ų62.118%0.17735%0.354CS..  trans-143154.6177.169.8171.970.900110.6L43 F86 L89 L90 V94 L118L43-M96 HydrophobicContact CD1-CE 4.22Å; L43-M96 HydrophobicContact CD2-CE 3.8Å; F86-M96 HydrophobicContact CE2-SD 4.26Å; L89-M96 HydrophobicContact CD1-CE 4.11Å; L89-M96 HydrophobicContact CD2-CE 3.75Å; L89-M96 HydrophobicContact CD2-SD 3.89Å; L89-M96 HydrophobicContact CG-CE 3.92Å; L89-M96 HydrophobicContact CG-SD 4.25Å; L90-M96 HydrophobicContact CD2-CG 3.56Å; L90-M96 HydrophobicContact CD2-SD 4Å; V94-M96 VanDerWaalsContact C-N 3.29Å; V94-M96 HydrophobicContact CB-CE 3.74Å; V94-M96 HydrophobicContact CG1-CE 3.24Å; V94-M96 HydrophobicContact CG1-CG 4.39Å; V94-M96 HydrophobicContact CG2-CE 4.42Å; V94-M96 PolarHBondContact O-N 3.27Å; M96-L118 HydrophobicContact SD-CB 4.46Å
97D94.6Very high91.6Very high103 Ų10368 Ų6855%0.55138%0.381SS*.  trans-66.6147.4173.2-70.7-29.7000110.5I99 G119D97-I99 HydrophobicContact CB-CD1 4.3Å; D97-I99 HydrophobicContact CB-CG1 3.9Å; D97-I99 PolarHBondContact O-N 2.81Å; D97-G119 WeakPolarHBondContact O-CA 3.48Å
98P93.8Very high90.6Very high96 Ų9674.5 Ų74.562%0.62341%0.414SS*.SBendtrans-77.944.2-178.634.6-37.9000112.3L90L90-P98 HydrophobicContact CD1-CB 3.77Å
99I94.4Very high89.8Confident74 Ų7477.7 Ų77.738%0.37945%0.451SS..  trans-128.4158.4-179.466175.2000110.7F86 D97 G119F86-I99 VanDerWaalsContact CZ-O 3.32Å; F86-I99 WeakPolarHBondContact CZ-O 3.29Å; D97-I99 HydrophobicContact CB-CD1 4.3Å; D97-I99 HydrophobicContact CB-CG1 3.9Å; D97-I99 PolarHBondContact O-N 2.81Å; I99-G119 WeakPolarHBondContact O-CA 3.35Å; I99-G119 PolarHBondContact O-N 3.43Å
100F95Very high89.5Confident43 Ų4378.8 Ų78.819%0.18946%0.46CS..EExtended strand (participates in β ladder)trans-144.3156.6167.355.9-95.6000109.1M72 F86 F102 V117 L118 W141M72-F100 HydrophobicContact CB-CE2 4.32Å; M72-F100 HydrophobicContact CB-CZ 4.13Å; M72-F100 HydrophobicContact CE-CB 4.4Å; M72-F100 HydrophobicContact CE-CD1 3.62Å; M72-F100 HydrophobicContact CE-CD2 3.95Å; M72-F100 HydrophobicContact CE-CE1 3.76Å; M72-F100 HydrophobicContact CE-CE2 4.1Å; M72-F100 HydrophobicContact CE-CG 3.71Å; M72-F100 HydrophobicContact CE-CZ 3.99Å; M72-F100 WeakPolarHBondContact O-CZ 2.99Å; F86-F100 AromaticContact CD1-CD1 3.69Å; F86-F100 HydrophobicContact CD1-CD1 3.69Å; F86-F100 AromaticContact CD1-CE1 3.88Å; F86-F100 HydrophobicContact CD1-CE1 3.88Å; F86-F100 HydrophobicContact CD2-CD1 4.29Å; F86-F100 AromaticContact CE1-CD1 3.6Å; F86-F100 HydrophobicContact CE1-CD1 3.6Å; F86-F100 HydrophobicContact CE1-CE1 4.1Å; F86-F100 HydrophobicContact CE2-CB 4.49Å; F86-F100 HydrophobicContact CE2-CD1 4.22Å; F86-F100 HydrophobicContact CG-CD1 4.05Å; F86-F100 HydrophobicContact CG-CE1 4.39Å; F86-F100 AromaticContact CZ-CD1 3.89Å; F86-F100 HydrophobicContact CZ-CD1 3.89Å; F100-F102 HydrophobicContact CD2-CD2 4.15Å; F100-F102 AromaticContact CD2-CE2 3.58Å; F100-F102 HydrophobicContact CD2-CE2 3.58Å; F100-F102 HydrophobicContact CD2-CZ 4.43Å; F100-F102 HydrophobicContact CE2-CD2 4.37Å; F100-F102 AromaticContact CE2-CE2 3.65Å; F100-F102 HydrophobicContact CE2-CE2 3.65Å; F100-V117 CarbonylContact C-O 3.59Å; F100-V117 WeakPolarHBondContact CA-O 3.37Å; F100-V117 VanDerWaalsContact CB-O 3.23Å; F100-V117 WeakPolarHBondContact CB-O 3.47Å; F100-L118 HydrophobicContact CB-CD2 3.84Å; F100-W141 AromaticContact CE1-CZ2 3.86Å; F100-W141 HydrophobicContact CE1-CZ2 3.86Å; F100-W141 HydrophobicContact CE2-CZ2 4.42Å; F100-W141 AromaticContact CZ-CE2 3.76Å; F100-W141 AromaticContact CZ-CZ2 3.48Å; F100-W141 HydrophobicContact CZ-CZ2 3.48Å; F100-W141 VanDerWaalsContact CZ-CZ2 3.48Å; F100-W141 AromaticContact CZ-NE1 3.62Å
101S96.2Very high89.3Confident26 Ų2682.9 Ų82.918%0.18249%0.489CS..EExtended strand (participates in β ladder)trans-132.9157.2178.869.70000111.8M116 V117 G120S101-M116 WeakPolarHBondContact O-CA 3.11Å; S101-V117 PolarHBondContact N-O 2.83Å; S101-V117 PolarHBondContact O-N 2.89Å; S101-G120 PolarHBondContact OG-O 2.8Å
102F95.5Very high89.1Confident78 Ų7883.1 Ų83.134%0.34248%0.479SS..EExtended strand (participates in β ladder)trans-123.4132.8174.6-70.7-88.1000110.2M72 F100 E115 M116 T165M72-F102 HydrophobicContact CG-CZ 4.42Å; F100-F102 HydrophobicContact CD2-CD2 4.15Å; F100-F102 AromaticContact CD2-CE2 3.58Å; F100-F102 HydrophobicContact CD2-CE2 3.58Å; F100-F102 HydrophobicContact CD2-CZ 4.43Å; F100-F102 HydrophobicContact CE2-CD2 4.37Å; F100-F102 AromaticContact CE2-CE2 3.65Å; F100-F102 HydrophobicContact CE2-CE2 3.65Å; F102-E115 CarbonylContact C-O 3.57Å; F102-E115 WeakPolarHBondContact CA-O 3.47Å; F102-M116 HydrophobicContact CD1-CB 4.01Å; F102-M116 HydrophobicContact CD1-CG 4.13Å; F102-M116 HydrophobicContact CE1-CB 3.83Å; F102-M116 HydrophobicContact CE1-CG 3.66Å; F102-M116 HydrophobicContact CE1-SD 3.66Å; F102-M116 HydrophobicContact CZ-CG 3.89Å; F102-M116 HydrophobicContact CZ-SD 3.59Å; F102-M116 VanDerWaalsContact CZ-SD 3.59Å; F102-T165 HydrophobicContact CB-CG2 4.35Å; F102-T165 HydrophobicContact CD1-CG2 4.12Å; F102-T165 HydrophobicContact CD2-CG2 3.83Å; F102-T165 HydrophobicContact CE1-CG2 4.36Å; F102-T165 HydrophobicContact CE2-CG2 4.09Å; F102-T165 HydrophobicContact CG-CG2 3.84Å; F102-T165 HydrophobicContact CZ-CG2 4.35Å
103Y94.3Very high88.9Confident64 Ų6483.1 Ų83.125%0.25149%0.492SS..EExtended strand (participates in β ladder)trans-110.1130.3159.1168-107.9000107.7N105 G114 E115 Y125Y103-N105 HydrophobicContact CE1-CB 3.87Å; Y103-G114 CarbonylContact O-C 3.59Å; Y103-G114 WeakPolarHBondContact O-CA 3.44Å; Y103-E115 PolarHBondContact N-O 3.38Å; Y103-E115 PolarHBondContact O-N 2.86Å; Y103-Y125 AromaticContact CD1-CD1 3.84Å; Y103-Y125 HydrophobicContact CD1-CD1 3.84Å; Y103-Y125 AromaticContact CD1-CD2 3.89Å; Y103-Y125 HydrophobicContact CD1-CD2 3.89Å; Y103-Y125 AromaticContact CD1-CE1 3.78Å; Y103-Y125 HydrophobicContact CD1-CE1 3.78Å; Y103-Y125 AromaticContact CD1-CE2 3.81Å; Y103-Y125 HydrophobicContact CD1-CE2 3.81Å; Y103-Y125 AromaticContact CD1-CG 3.92Å; Y103-Y125 HydrophobicContact CD1-CG 3.92Å; Y103-Y125 AromaticContact CD1-CZ 3.78Å; Y103-Y125 AromaticContact CD2-CD1 3.85Å; Y103-Y125 HydrophobicContact CD2-CD1 3.85Å; Y103-Y125 HydrophobicContact CD2-CD2 4.28Å; Y103-Y125 AromaticContact CD2-CG 3.7Å; Y103-Y125 HydrophobicContact CD2-CG 3.7Å; Y103-Y125 AromaticContact CE1-CD1 3.88Å; Y103-Y125 HydrophobicContact CE1-CD1 3.88Å; Y103-Y125 AromaticContact CE1-CE1 3.69Å; Y103-Y125 HydrophobicContact CE1-CE1 3.69Å; Y103-Y125 HydrophobicContact CE1-CG 4.42Å; Y103-Y125 AromaticContact CE2-CD1 3.88Å; Y103-Y125 HydrophobicContact CE2-CD1 3.88Å; Y103-Y125 HydrophobicContact CE2-CE1 4.5Å; Y103-Y125 HydrophobicContact CE2-CG 4.22Å; Y103-Y125 AromaticContact CG-CD1 3.82Å; Y103-Y125 HydrophobicContact CG-CD1 3.82Å; Y103-Y125 AromaticContact CG-CD2 3.64Å; Y103-Y125 HydrophobicContact CG-CD2 3.64Å; Y103-Y125 HydrophobicContact CG-CE1 4.24Å; Y103-Y125 HydrophobicContact CG-CE2 4.06Å; Y103-Y125 AromaticContact CG-CG 3.53Å; Y103-Y125 HydrophobicContact CG-CG 3.53Å; Y103-Y125 AromaticContact CZ-CD1 3.9Å
104L92.2Very high89.3Confident97 Ų9781.4 Ų81.451%0.50848%0.475SS..EExtended strand (participates in β ladder)trans-122.9117.5176.9-59.5177.9000107.7A239L104-A239 HydrophobicContact CD1-CB 4.33Å
105N89.6Confident89.8Confident41 Ų4182.4 Ų82.422%0.21948%0.476CS..  trans-81.4129.8-178.6-164.5-17.4000110Y103 E107 A110 I112 G113Y103-N105 HydrophobicContact CE1-CB 3.87Å; N105-E107 WeakPolarHBondContact OD1-CB 3.41Å; N105-E107 PolarHBondContact OD1-N 2.77Å; N105-A110 WeakPolarHBondContact ND2-CB 3.4Å; N105-I112 WeakPolarHBondContact CB-O 3.08Å; N105-I112 PolarHBondContact ND2-O 2.7Å; N105-G113 WeakPolarHBondContact CB-O 3Å; N105-G113 PolarHBondContact N-O 2.76Å
106Q81.2Confident90.1Very high105 Ų10577.7 Ų77.749%0.49145%0.449SS..  trans-85.8-12.8179.3-65.8-178-6.100112.7N108 N238Q106-N108 PolarHBondContact O-N 3.45Å; Q106-N238 PolarHBondContact NE2-ND2 3.36Å; Q106-N238 PolarHBondContact NE2-OD1 3.35Å
107E80.1Confident90.2Very high140 Ų14077.5 Ų77.565%0.65445%0.45SS*.SBendtrans-78.6114.5-178.3-68-174.6178.400112N105 G109 A110N105-E107 WeakPolarHBondContact OD1-CB 3.41Å; N105-E107 PolarHBondContact OD1-N 2.77Å; E107-G109 PolarHBondContact O-N 3.38Å; E107-A110 HydrophobicContact CB-CB 4.04Å; E107-A110 WeakPolarHBondContact O-CB 2.78Å; E107-A110 PolarHBondContact O-N 2.85Å
108N75.2Confident90.3Very high170 Ų17074.1 Ų74.191%0.90943%0.432SS*.THydrogen-bonded Turntrans-61.9120173.3-79-29.1000110.7Q106Q106-N108 PolarHBondContact O-N 3.45Å
109G79.6Confident90.3Very high83 Ų8370.3 Ų70.386%0.85641%0.41SS*.THydrogen-bonded Turntrans89.35.3177.400000114.8E107E107-G109 PolarHBondContact O-N 3.38Å
110A87.8Confident90.3Very high23 Ų2367.7 Ų67.719%0.1940%0.401CS..  trans-58.2145.2170.400000111.3N105 E107 I112N105-A110 WeakPolarHBondContact ND2-CB 3.4Å; E107-A110 HydrophobicContact CB-CB 4.04Å; E107-A110 WeakPolarHBondContact O-CB 2.78Å; E107-A110 PolarHBondContact O-N 2.85Å; A110-I112 PolarHBondContact O-N 2.63Å
111P89.5Confident90.4Very high136 Ų13668.5 Ų68.588%0.88341%0.41SS*.SBendtrans-62.9-28.1-178.925.2-34.5000112.7
112I89.9Confident90.3Very high84 Ų8468.8 Ų68.843%0.43141%0.409SS..  trans-118.5110.2175.3-59.2173.8000107.3N105 A110 G114N105-I112 WeakPolarHBondContact CB-O 3.08Å; N105-I112 PolarHBondContact ND2-O 2.7Å; A110-I112 PolarHBondContact O-N 2.63Å; I112-G114 VanDerWaalsContact C-N 3.29Å; I112-G114 WeakPolarHBondContact CG2-O 3.42Å
113G91Very high90.3Very high56 Ų5669.7 Ų69.758%0.57742%0.423SS*.  trans-77-15.4177.200000113.8N105N105-G113 WeakPolarHBondContact CB-O 3Å; N105-G113 PolarHBondContact N-O 2.76Å
114G92.5Very high90.4Very high32 Ų3274.3 Ų74.333%0.3345%0.447SS..EExtended strand (participates in β ladder)trans166.9170.5178.800000111.3Y103 I112Y103-G114 CarbonylContact O-C 3.59Å; Y103-G114 WeakPolarHBondContact O-CA 3.44Å; I112-G114 VanDerWaalsContact C-N 3.29Å; I112-G114 WeakPolarHBondContact CG2-O 3.42Å
115E93.7Very high90.4Very high70 Ų7073 Ų7333%0.32744%0.435SS..EExtended strand (participates in β ladder)trans-137.5138.4176.7-176.8173.2-103.500109.8F102 Y103 V117 N122 Y125F102-E115 CarbonylContact C-O 3.57Å; F102-E115 WeakPolarHBondContact CA-O 3.47Å; Y103-E115 PolarHBondContact N-O 3.38Å; Y103-E115 PolarHBondContact O-N 2.86Å; E115-V117 HydrophobicContact CG-CG2 4.01Å; E115-V117 WeakPolarHBondContact OE2-CG2 3.49Å; E115-N122 WeakPolarHBondContact OE2-CB 3.43Å; E115-N122 PolarHBondContact OE2-ND2 2.83Å; E115-Y125 HydrophobicContact CB-CE2 3.84Å; E115-Y125 HydrophobicContact CG-CE2 4.42Å; E115-Y125 VanDerWaalsContact OE2-CE2 3.3Å; E115-Y125 WeakPolarHBondContact OE2-CE2 3.37Å
116M94.5Very high90.5Very high74 Ų7474.4 Ų74.437%0.36544%0.44SS..EExtended strand (participates in β ladder)trans-110.6122.4164.5-179.9-17865.700108.2M72 S101 F102 L118M72-M116 HydrophobicContact CE-SD 4.16Å; S101-M116 WeakPolarHBondContact O-CA 3.11Å; F102-M116 HydrophobicContact CD1-CB 4.01Å; F102-M116 HydrophobicContact CD1-CG 4.13Å; F102-M116 HydrophobicContact CE1-CB 3.83Å; F102-M116 HydrophobicContact CE1-CG 3.66Å; F102-M116 HydrophobicContact CE1-SD 3.66Å; F102-M116 HydrophobicContact CZ-CG 3.89Å; F102-M116 HydrophobicContact CZ-SD 3.59Å; F102-M116 VanDerWaalsContact CZ-SD 3.59Å; M116-L118 HydrophobicContact CE-CD1 4.33Å; M116-L118 HydrophobicContact CE-CD2 4Å; M116-L118 HydrophobicContact CE-CG 4.21Å; M116-L118 HydrophobicContact CG-CD2 4.28Å; M116-L118 HydrophobicContact SD-CD2 4.05Å
117V94.5Very high91.1Very high33 Ų3378.4 Ų78.420%0.246%0.459CS..EExtended strand (participates in β ladder)trans-102.6125175.1-173.90000108.2F100 S101 E115 N122F100-V117 CarbonylContact C-O 3.59Å; F100-V117 WeakPolarHBondContact CA-O 3.37Å; F100-V117 VanDerWaalsContact CB-O 3.23Å; F100-V117 WeakPolarHBondContact CB-O 3.47Å; S101-V117 PolarHBondContact N-O 2.83Å; S101-V117 PolarHBondContact O-N 2.89Å; E115-V117 HydrophobicContact CG-CG2 4.01Å; E115-V117 WeakPolarHBondContact OE2-CG2 3.49Å; V117-N122 HydrophobicContact CG2-CB 4.13Å
118L94.7Very high91.7Very high31 Ų3174.4 Ų74.416%0.16246%0.455CS..EExtended strand (participates in β ladder)trans-99.1126.3172.2-60.1177.7000108.1L43 M72 F86 L89 M96 F100 M116L43-L118 HydrophobicContact CD1-CB 4.4Å; L43-L118 HydrophobicContact CD1-CD1 3.72Å; M72-L118 HydrophobicContact CE-CD2 3.99Å; F86-L118 HydrophobicContact CD2-CD2 3.95Å; F86-L118 HydrophobicContact CE2-CB 4.44Å; F86-L118 HydrophobicContact CE2-CD2 4.05Å; L89-L118 HydrophobicContact CD2-CD1 3.88Å; M96-L118 HydrophobicContact SD-CB 4.46Å; F100-L118 HydrophobicContact CB-CD2 3.84Å; M116-L118 HydrophobicContact CE-CD1 4.33Å; M116-L118 HydrophobicContact CE-CD2 4Å; M116-L118 HydrophobicContact CE-CG 4.21Å; M116-L118 HydrophobicContact CG-CD2 4.28Å; M116-L118 HydrophobicContact SD-CD2 4.05Å
119G94.3Very high92.4Very high17 Ų1773.4 Ų73.418%0.17545%0.449CS..SBendtrans90.28.4178.700000116D97 I99D97-G119 WeakPolarHBondContact O-CA 3.48Å; I99-G119 WeakPolarHBondContact O-CA 3.35Å; I99-G119 PolarHBondContact O-N 3.43Å
120G94.8Very high93Very high18 Ų1874 Ų7419%0.18643%0.429CS..SBendtrans178.2-160.2-174.300000113.6S101S101-G120 PolarHBondContact OG-O 2.8Å
121V96.2Very high93.1Very high60 Ų6075.6 Ų75.636%0.36443%0.432SS..  trans-134.9157.3175.8-61.20000109F126 F130V121-F126 HydrophobicContact CB-CE1 4.16Å; V121-F126 HydrophobicContact CG2-CE1 3.87Å; V121-F126 HydrophobicContact CG2-CZ 4.17Å; V121-F130 HydrophobicContact CB-CE2 4.24Å; V121-F130 HydrophobicContact CB-CZ 4.17Å; V121-F130 HydrophobicContact CG1-CE2 3.88Å; V121-F130 HydrophobicContact CG1-CZ 3.78Å; V121-F130 HydrophobicContact CG2-CE2 4.04Å; V121-F130 HydrophobicContact CG2-CZ 4.44Å
122N95.8Very high93.2Very high33 Ų3378 Ų7818%0.17643%0.425CS..  trans-101.6114.1171-175.4-15.5000109.6E115 V117 E124 Y125 F126E115-N122 WeakPolarHBondContact OE2-CB 3.43Å; E115-N122 PolarHBondContact OE2-ND2 2.83Å; V117-N122 HydrophobicContact CG2-CB 4.13Å; N122-E124 PolarHBondContact O-N 3.29Å; N122-E124 WeakPolarHBondContact OD1-CB 3.46Å; N122-E124 PolarHBondContact OD1-N 2.85Å; N122-Y125 HydrophobicContact CB-CD2 3.74Å; N122-Y125 HydrophobicContact CB-CE2 4.14Å; N122-Y125 VanDerWaalsContact ND2-CE2 3.31Å; N122-Y125 WeakPolarHBondContact ND2-CE2 3.48Å; N122-Y125 PolarHBondContact O-N 3.11Å; N122-F126 WeakPolarHBondContact O-CD1 3.42Å; N122-F126 WeakPolarHBondContact O-CE1 3.37Å
123P95.7Very high93.4Very high97 Ų9776 Ų7663%0.6342%0.415SS*.G310 helixtrans-66.4-11.3-177.428.6-35.4000114.4Y125 F126P123-Y125 PolarHBondContact O-N 2.96Å; P123-F126 HydrophobicContact CB-CE1 4.36Å
124E95Very high93.5Very high161 Ų16177.8 Ų77.875%0.75242%0.416SS*.G310 helixtrans-73.8-15.8175-61.4-174.9162.500113.1N122N122-E124 PolarHBondContact O-N 3.29Å; N122-E124 WeakPolarHBondContact OD1-CB 3.46Å; N122-E124 PolarHBondContact OD1-N 2.85Å
125Y93.2Very high93.6Very high68 Ų6878.3 Ų78.327%0.26741%0.413SS..G310 helixtrans-107.25.8-171.1-63.8-40000115.4Y103 E115 N122 P123Y103-Y125 AromaticContact CD1-CD1 3.84Å; Y103-Y125 HydrophobicContact CD1-CD1 3.84Å; Y103-Y125 AromaticContact CD1-CD2 3.89Å; Y103-Y125 HydrophobicContact CD1-CD2 3.89Å; Y103-Y125 AromaticContact CD1-CE1 3.78Å; Y103-Y125 HydrophobicContact CD1-CE1 3.78Å; Y103-Y125 AromaticContact CD1-CE2 3.81Å; Y103-Y125 HydrophobicContact CD1-CE2 3.81Å; Y103-Y125 AromaticContact CD1-CG 3.92Å; Y103-Y125 HydrophobicContact CD1-CG 3.92Å; Y103-Y125 AromaticContact CD1-CZ 3.78Å; Y103-Y125 AromaticContact CD2-CD1 3.85Å; Y103-Y125 HydrophobicContact CD2-CD1 3.85Å; Y103-Y125 HydrophobicContact CD2-CD2 4.28Å; Y103-Y125 AromaticContact CD2-CG 3.7Å; Y103-Y125 HydrophobicContact CD2-CG 3.7Å; Y103-Y125 AromaticContact CE1-CD1 3.88Å; Y103-Y125 HydrophobicContact CE1-CD1 3.88Å; Y103-Y125 AromaticContact CE1-CE1 3.69Å; Y103-Y125 HydrophobicContact CE1-CE1 3.69Å; Y103-Y125 HydrophobicContact CE1-CG 4.42Å; Y103-Y125 AromaticContact CE2-CD1 3.88Å; Y103-Y125 HydrophobicContact CE2-CD1 3.88Å; Y103-Y125 HydrophobicContact CE2-CE1 4.5Å; Y103-Y125 HydrophobicContact CE2-CG 4.22Å; Y103-Y125 AromaticContact CG-CD1 3.82Å; Y103-Y125 HydrophobicContact CG-CD1 3.82Å; Y103-Y125 AromaticContact CG-CD2 3.64Å; Y103-Y125 HydrophobicContact CG-CD2 3.64Å; Y103-Y125 HydrophobicContact CG-CE1 4.24Å; Y103-Y125 HydrophobicContact CG-CE2 4.06Å; Y103-Y125 AromaticContact CG-CG 3.53Å; Y103-Y125 HydrophobicContact CG-CG 3.53Å; Y103-Y125 AromaticContact CZ-CD1 3.9Å; E115-Y125 HydrophobicContact CB-CE2 3.84Å; E115-Y125 HydrophobicContact CG-CE2 4.42Å; E115-Y125 VanDerWaalsContact OE2-CE2 3.3Å; E115-Y125 WeakPolarHBondContact OE2-CE2 3.37Å; N122-Y125 HydrophobicContact CB-CD2 3.74Å; N122-Y125 HydrophobicContact CB-CE2 4.14Å; N122-Y125 VanDerWaalsContact ND2-CE2 3.31Å; N122-Y125 WeakPolarHBondContact ND2-CE2 3.48Å; N122-Y125 PolarHBondContact O-N 3.11Å; P123-Y125 PolarHBondContact O-N 2.96Å
126F92.2Very high93.6Very high71 Ų7178 Ų7831%0.31142%0.415SS..  trans-148.8159.8176.769.5-86.7000112.5V121 N122 P123 G128 F130V121-F126 HydrophobicContact CB-CE1 4.16Å; V121-F126 HydrophobicContact CG2-CE1 3.87Å; V121-F126 HydrophobicContact CG2-CZ 4.17Å; N122-F126 WeakPolarHBondContact O-CD1 3.42Å; N122-F126 WeakPolarHBondContact O-CE1 3.37Å; P123-F126 HydrophobicContact CB-CE1 4.36Å; F126-G128 WeakPolarHBondContact CD2-O 3.49Å; F126-G128 VanDerWaalsContact CE2-O 3.31Å; F126-G128 WeakPolarHBondContact CE2-O 3.36Å; F126-F130 HydrophobicContact CD1-CE2 4.21Å; F126-F130 AromaticContact CD1-CZ 3.7Å; F126-F130 HydrophobicContact CD1-CZ 3.7Å; F126-F130 HydrophobicContact CD2-CE2 4.09Å; F126-F130 AromaticContact CD2-CZ 3.99Å; F126-F130 HydrophobicContact CD2-CZ 3.99Å; F126-F130 AromaticContact CE1-CE2 3.71Å; F126-F130 HydrophobicContact CE1-CE2 3.71Å; F126-F130 AromaticContact CE1-CZ 3.63Å; F126-F130 HydrophobicContact CE1-CZ 3.63Å; F126-F130 HydrophobicContact CE2-CD2 4.28Å; F126-F130 AromaticContact CE2-CE2 3.6Å; F126-F130 HydrophobicContact CE2-CE2 3.6Å; F126-F130 AromaticContact CE2-CZ 3.95Å; F126-F130 HydrophobicContact CE2-CZ 3.95Å; F126-F130 HydrophobicContact CG-CE1 4.5Å; F126-F130 HydrophobicContact CG-CE2 4.38Å; F126-F130 AromaticContact CG-CZ 3.88Å; F126-F130 HydrophobicContact CG-CZ 3.88Å; F126-F130 HydrophobicContact CZ-CD2 4.39Å; F126-F130 AromaticContact CZ-CE2 3.4Å; F126-F130 HydrophobicContact CZ-CE2 3.4Å; F126-F130 AromaticContact CZ-CZ 3.79Å; F126-F130 HydrophobicContact CZ-CZ 3.79Å
127E92.4Very high93.3Very high190 Ų19079.8 Ų79.889%0.88842%0.423SS*.  trans-119.7142.4173.8-64.9-178.5-178.700110.4
128G92.5Very high92.9Very high55 Ų5584.6 Ų84.657%0.56745%0.447SS*.SBendtrans73.4-162.3179.900000114F126F126-G128 WeakPolarHBondContact CD2-O 3.49Å; F126-G128 VanDerWaalsContact CE2-O 3.31Å; F126-G128 WeakPolarHBondContact CE2-O 3.36Å
129D90.6Very high92.6Very high149 Ų14985.7 Ų85.780%0.79745%0.453SS*.PPolyproline II helixtrans-94.5151.4-176.6-62.4-46.1000112.8
130F91.3Very high92.4Very high97 Ų9788.1 Ų88.143%0.42546%0.461SS..PPolyproline II helixtrans-70.5140.3171.6-70.5-75.2000111.9V121 F126 Y132V121-F130 HydrophobicContact CB-CE2 4.24Å; V121-F130 HydrophobicContact CB-CZ 4.17Å; V121-F130 HydrophobicContact CG1-CE2 3.88Å; V121-F130 HydrophobicContact CG1-CZ 3.78Å; V121-F130 HydrophobicContact CG2-CE2 4.04Å; V121-F130 HydrophobicContact CG2-CZ 4.44Å; F126-F130 HydrophobicContact CD1-CE2 4.21Å; F126-F130 AromaticContact CD1-CZ 3.7Å; F126-F130 HydrophobicContact CD1-CZ 3.7Å; F126-F130 HydrophobicContact CD2-CE2 4.09Å; F126-F130 AromaticContact CD2-CZ 3.99Å; F126-F130 HydrophobicContact CD2-CZ 3.99Å; F126-F130 AromaticContact CE1-CE2 3.71Å; F126-F130 HydrophobicContact CE1-CE2 3.71Å; F126-F130 AromaticContact CE1-CZ 3.63Å; F126-F130 HydrophobicContact CE1-CZ 3.63Å; F126-F130 HydrophobicContact CE2-CD2 4.28Å; F126-F130 AromaticContact CE2-CE2 3.6Å; F126-F130 HydrophobicContact CE2-CE2 3.6Å; F126-F130 AromaticContact CE2-CZ 3.95Å; F126-F130 HydrophobicContact CE2-CZ 3.95Å; F126-F130 HydrophobicContact CG-CE1 4.5Å; F126-F130 HydrophobicContact CG-CE2 4.38Å; F126-F130 AromaticContact CG-CZ 3.88Å; F126-F130 HydrophobicContact CG-CZ 3.88Å; F126-F130 HydrophobicContact CZ-CD2 4.39Å; F126-F130 AromaticContact CZ-CE2 3.4Å; F126-F130 HydrophobicContact CZ-CE2 3.4Å; F126-F130 AromaticContact CZ-CZ 3.79Å; F126-F130 HydrophobicContact CZ-CZ 3.79Å; F130-Y132 HydrophobicContact CB-CE2 3.99Å
131E90.7Very high92.4Very high56 Ų5691.9 Ų91.926%0.26247%0.47SS..PPolyproline II helixtrans-100.8129.3163.3-178171.9172.300109.5R214E131-R214 WeakPolarHBondContact OE2-CB 3.48Å; E131-R214 WeakPolarHBondContact OE2-CD 3.23Å; E131-R214 IonicContact OE2-NE 3.73Å; E131-R214 IonicContact OE2-NH1 2.62Å
132Y92.4Very high92.3Very high186 Ų18689.2 Ų89.273%0.72945%0.454SS*.PPolyproline II helixtrans-99.3120.5179-65.8-87.3000110.1F130F130-Y132 HydrophobicContact CB-CE2 3.99Å
133I93.5Very high92.2Very high42 Ų4288.1 Ų88.122%0.21545%0.449CS..  trans-106.3123176.3-54.9161000107.7V143 F211I133-V143 HydrophobicContact CB-CB 4.45Å; I133-V143 HydrophobicContact CB-CG1 4.15Å; I133-V143 HydrophobicContact CG2-CB 3.75Å; I133-V143 HydrophobicContact CG2-CG1 3.89Å; I133-F211 HydrophobicContact CD1-CB 3.53Å; I133-F211 HydrophobicContact CD1-CD1 4.08Å; I133-F211 HydrophobicContact CD1-CG 3.86Å; I133-F211 HydrophobicContact CG1-CB 4.44Å
134P93.6Very high92.2Very high94 Ų9485 Ų8561%0.6144%0.435SS*.  trans-63.9140.8178.127.8-32.9000109.7
135T94Very high92.2Very high42 Ų4277.4 Ų77.426%0.25840%0.399SS..BIsolated β-bridgetrans-69.8144.1173.354.60000110H137 W141 A142T135-H137 VanDerWaalsContact C-N 3.28Å; T135-W141 HydrophobicContact CG2-CE3 3.82Å; T135-W141 HydrophobicContact CG2-CZ3 4.14Å; T135-A142 CarbonylContact C-O 3.59Å; T135-A142 WeakPolarHBondContact CA-O 3.28Å; T135-A142 WeakPolarHBondContact CB-O 3.44Å
136V94Very high92.2Very high63 Ų6376.5 Ų76.538%0.38240%0.403SS..SBendtrans-67.1-37.4174.8-171.20000109.4A142 T160V136-A142 PolarHBondContact N-O 3.38Å; V136-T160 HydrophobicContact CG2-CG2 4.19Å
137H88.9Confident92.4Very high113 Ų11373.5 Ų73.552%0.52339%0.391SS..SBendtrans-143.2150.1-178.8-53.2-32.8000111.6T135 N139T135-H137 VanDerWaalsContact C-N 3.28Å; H137-N139 WeakPolarHBondContact CB-OD1 3.36Å; H137-N139 PolarHBondContact O-N 3.42Å; H137-N139 VanDerWaalsContact O-N 3.09Å
138N85.9Confident92.5Very high133 Ų13364.6 Ų64.671%0.71135%0.349SS*.THydrogen-bonded Turntrans-8325.8-177.8-67.7-29.4000114.5S74S74-N138 CarbonylContact C-O 3.6Å; S74-N138 VanDerWaalsContact OG-C 3.25Å
139N87.8Confident92.6Very high54 Ų5464 Ų6429%0.28933%0.332SS..THydrogen-bonded Turntrans-126-13.1-170.975.7-42.4000114.9S74 R75 H137S74-N139 PolarHBondContact OG-N 3.1Å; R75-N139 HydrophobicContact CG-CB 4.04Å; R75-N139 VanDerWaalsContact CG-O 3.27Å; R75-N139 WeakPolarHBondContact CG-O 3.37Å; R75-N139 PolarHBondContact NE-O 2.73Å; R75-N139 PolarHBondContact NH2-ND2 2.97Å; R75-N139 VanDerWaalsContact NH2-ND2 3.19Å; H137-N139 WeakPolarHBondContact CB-OD1 3.36Å; H137-N139 PolarHBondContact O-N 3.42Å; H137-N139 VanDerWaalsContact O-N 3.09Å
140I90.6Very high92.8Very high68 Ų6856.9 Ų56.935%0.34929%0.294SS..SBendtrans-153.7165.2172.9-164.8168.6000107.9S74 A142 T162S74-I140 VanDerWaalsContact OG-C 3.24Å; S74-I140 WeakPolarHBondContact OG-CA 3.42Å; S74-I140 PolarHBondContact OG-N 2.95Å; S74-I140 PolarHBondContact OG-O 3.2Å; I140-A142 HydrophobicContact CG2-CB 3.62Å; I140-A142 PolarHBondContact O-N 2.91Å; I140-T162 HydrophobicContact CD1-CG2 3.53Å; I140-T162 HydrophobicContact CG1-CG2 3.74Å
141W93.6Very high92.8Very high97 Ų9760.2 Ų60.237%0.36731%0.308SS..  trans-79.755.6173.9-64.9110.3000111.5M72 F100 T135 T162 I163M72-W141 PolarHBondContact O-NE1 3.33Å; F100-W141 AromaticContact CE1-CZ2 3.86Å; F100-W141 HydrophobicContact CE1-CZ2 3.86Å; F100-W141 HydrophobicContact CE2-CZ2 4.42Å; F100-W141 AromaticContact CZ-CE2 3.76Å; F100-W141 AromaticContact CZ-CZ2 3.48Å; F100-W141 HydrophobicContact CZ-CZ2 3.48Å; F100-W141 VanDerWaalsContact CZ-CZ2 3.48Å; F100-W141 AromaticContact CZ-NE1 3.62Å; T135-W141 HydrophobicContact CG2-CE3 3.82Å; T135-W141 HydrophobicContact CG2-CZ3 4.14Å; W141-T162 CarbonylContact O-C 3.51Å; W141-T162 WeakPolarHBondContact O-CA 3.47Å; W141-I163 HydrophobicContact CB-CB 4.17Å; W141-I163 PolarHBondContact O-N 3.37Å
142A94.1Very high92.9Very high4 Ų460.6 Ų60.63%0.03333%0.328CS..EExtended strand (participates in β ladder)trans-87.9130.117500000110.2T135 V136 I140 T160 A161T135-A142 CarbonylContact C-O 3.59Å; T135-A142 WeakPolarHBondContact CA-O 3.28Å; T135-A142 WeakPolarHBondContact CB-O 3.44Å; V136-A142 PolarHBondContact N-O 3.38Å; I140-A142 HydrophobicContact CG2-CB 3.62Å; I140-A142 PolarHBondContact O-N 2.91Å; A142-T160 HydrophobicContact CB-CG2 3.68Å; A142-A161 CarbonylContact C-O 3.56Å; A142-A161 WeakPolarHBondContact CA-O 3.44Å
143V94.6Very high93Very high11 Ų1154.6 Ų54.67%0.06731%0.31CS..EExtended strand (participates in β ladder)trans-128.2153.3179.2-67.70000110.2I133 T160 A161 I163 F211I133-V143 HydrophobicContact CB-CB 4.45Å; I133-V143 HydrophobicContact CB-CG1 4.15Å; I133-V143 HydrophobicContact CG2-CB 3.75Å; I133-V143 HydrophobicContact CG2-CG1 3.89Å; V143-T160 WeakPolarHBondContact O-CA 3.17Å; V143-A161 HydrophobicContact CG2-CB 4.46Å; V143-A161 WeakPolarHBondContact CG2-O 3.3Å; V143-A161 PolarHBondContact N-O 2.94Å; V143-A161 PolarHBondContact O-N 2.85Å; V143-I163 HydrophobicContact CG2-CD1 3.91Å; V143-I163 HydrophobicContact CG2-CG1 4.43Å; V143-F211 HydrophobicContact CG2-CD1 4.04Å; V143-F211 HydrophobicContact CG2-CE1 3.67Å
144G94.6Very high93.1Very high32 Ų3256.5 Ų56.533%0.3332%0.318SS..EExtended strand (participates in β ladder)trans-77124.1175.600000111.5F211G144-F211 WeakPolarHBondContact O-CD1 3.45Å
145M94.8Very high93Very high1 Ų152.5 Ų52.51%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-100.1120.2170-172.8167.56500109.1L148 G158 C159 A161 F209 I210 F211 I242M145-L148 HydrophobicContact CE-CB 3.91Å; M145-G158 WeakPolarHBondContact O-CA 3.27Å; M145-C159 WeakPolarHBondContact CE-SG 3.49Å; M145-C159 PolarHBondContact N-O 3.01Å; M145-C159 PolarHBondContact O-N 2.91Å; M145-A161 HydrophobicContact CB-CB 4.44Å; M145-F209 HydrophobicContact SD-CB 4.09Å; M145-F209 HydrophobicContact SD-CD1 3.66Å; M145-F209 HydrophobicContact SD-CG 4.34Å; M145-I210 CarbonylContact C-O 3.45Å; M145-I210 WeakPolarHBondContact CG-O 3.45Å; M145-F211 HydrophobicContact CB-CD1 4.07Å; M145-F211 HydrophobicContact CB-CE1 3.68Å; M145-F211 HydrophobicContact CB-CZ 4.27Å; M145-F211 HydrophobicContact CG-CD1 4.32Å; M145-F211 HydrophobicContact CG-CE1 3.98Å; M145-F211 HydrophobicContact CG-CZ 4.15Å; M145-F211 HydrophobicContact SD-CE1 4.37Å; M145-F211 HydrophobicContact SD-CE2 4.45Å; M145-F211 HydrophobicContact SD-CZ 4Å; M145-I242 HydrophobicContact CE-CD1 3.81Å; M145-I242 HydrophobicContact CE-CG1 4.25Å; M145-I242 HydrophobicContact CE-CG2 4.04Å
146S95.1Very high92.7Very high48 Ų4851 Ų5134%0.33628%0.282SS..EExtended strand (participates in β ladder)trans-65.4-45.5-179.5-54.80000111.1G158 I210 Q212S146-G158 PolarHBondContact O-N 3.09Å; S146-I210 WeakPolarHBondContact CB-O 3.4Å; S146-I210 PolarHBondContact N-O 2.62Å; S146-Q212 PolarHBondContact OG-N 3.05Å; S146-Q212 PolarHBondContact OG-O 3.08Å
147S94.7Very high92.5Very high9 Ų954.1 Ų54.16%0.06330%0.297CS..EExtended strand (participates in β ladder)trans-160.6154.8-177.8-178.10000112.2M149 E154 C156 I210S147-M149 PolarHBondContact OG-SD 2.94Å; S147-M149 VanDerWaalsContact OG-SD 3.4Å; S147-E154 VanDerWaalsContact CB-OE1 3.31Å; S147-E154 WeakPolarHBondContact CB-OE1 3.2Å; S147-E154 WeakPolarHBondContact OG-CG 3.07Å; S147-E154 PolarHBondContact OG-OE1 2.97Å; S147-C156 VanDerWaalsContact CA-O 3.25Å; S147-C156 WeakPolarHBondContact CA-O 3.37Å; S147-C156 PolarHBondContact OG-O 3.06Å; S147-I210 PolarHBondContact N-O 3.41Å; S147-I210 PolarHBondContact O-N 2.8Å
148L94.4Very high92.6Very high3 Ų351.5 Ų51.52%0.01630%0.301CS..EExtended strand (participates in β ladder)trans-120.1114.8169.217663.4000108.6M145 F155 C156 I180 I207 F209 I242 F244M145-L148 HydrophobicContact CE-CB 3.91Å; L148-F155 HydrophobicContact CB-CB 4.29Å; L148-F155 HydrophobicContact CD2-CB 3.9Å; L148-F155 HydrophobicContact CG-CB 4.07Å; L148-F155 PolarHBondContact O-N 2.77Å; L148-C156 HydrophobicContact CB-CB 4.21Å; L148-C156 PolarHBondContact N-O 2.85Å; L148-I180 HydrophobicContact CD2-CD1 3.91Å; L148-I207 HydrophobicContact CD1-CG2 3.56Å; L148-F209 HydrophobicContact CD1-CD1 3.84Å; L148-F209 HydrophobicContact CD1-CD2 4.4Å; L148-F209 HydrophobicContact CD1-CE1 3.81Å; L148-F209 HydrophobicContact CD1-CE2 4.34Å; L148-F209 HydrophobicContact CD1-CG 4.13Å; L148-F209 HydrophobicContact CD1-CZ 4.05Å; L148-I242 HydrophobicContact CD2-CD1 4.3Å; L148-F244 HydrophobicContact CD2-CZ 4.48Å
149M95.1Very high93Very high41 Ų4145.9 Ų45.920%0.20227%0.272CS..EExtended strand (participates in β ladder)trans-116134.5-175.6-58-68-71.200111.4S147 G152 V153 E154 E208 I210S147-M149 PolarHBondContact OG-SD 2.94Å; S147-M149 VanDerWaalsContact OG-SD 3.4Å; M149-G152 WeakPolarHBondContact CE-O 3.44Å; M149-V153 WeakPolarHBondContact CA-O 3.36Å; M149-E154 HydrophobicContact CE-CB 4.36Å; M149-E154 WeakPolarHBondContact SD-CA 3.39Å; M149-E154 HydrophobicContact SD-CB 3.49Å; M149-E154 WeakPolarHBondContact SD-CB 3.2Å; M149-E154 HydrophobicContact SD-CG 3.83Å; M149-E208 HydrophobicContact CB-CB 4.2Å; M149-E208 PolarHBondContact N-O 2.92Å; M149-E208 PolarHBondContact O-N 2.91Å; M149-I210 HydrophobicContact CG-CD1 4.06Å
150I95.2Very high93.2Very high0 Ų045.3 Ų45.30%027%0.27CS..EExtended strand (participates in β ladder)trans-136120.6170.3-47.4177.8000108.1G152 V153 F155 I180 L183 L184 P205 I207I150-G152 PolarHBondContact O-N 2.99Å; I150-V153 PolarHBondContact N-O 2.94Å; I150-V153 WeakPolarHBondContact O-CB 3.27Å; I150-V153 PolarHBondContact O-N 3.19Å; I150-F155 HydrophobicContact CB-CD2 4.15Å; I150-F155 HydrophobicContact CB-CE2 3.7Å; I150-F155 HydrophobicContact CD1-CD2 4.07Å; I150-F155 HydrophobicContact CD1-CE2 3.97Å; I150-F155 HydrophobicContact CD1-CZ 4.48Å; I150-F155 HydrophobicContact CG1-CD2 3.92Å; I150-F155 HydrophobicContact CG1-CE2 3.9Å; I150-I180 HydrophobicContact CD1-CB 4.29Å; I150-I180 HydrophobicContact CD1-CD1 4.18Å; I150-I180 HydrophobicContact CD1-CG1 3.82Å; I150-I180 HydrophobicContact CD1-CG2 3.65Å; I150-L183 HydrophobicContact CB-CD2 3.86Å; I150-L183 HydrophobicContact CG2-CD2 3.7Å; I150-L184 HydrophobicContact CG2-CD2 4.46Å; I150-P205 HydrophobicContact CG2-CB 4.14Å; I150-P205 HydrophobicContact CG2-CG 3.54Å; I150-I207 HydrophobicContact CD1-CD1 4.19Å; I150-I207 HydrophobicContact CD1-CG1 3.98Å; I150-I207 HydrophobicContact CD1-CG2 4.23Å; I150-I207 HydrophobicContact CG1-CB 4.38Å; I150-I207 HydrophobicContact CG1-CG1 4.08Å; I150-I207 HydrophobicContact CG1-CG2 4.03Å
151K92.1Very high93.3Very high167 Ų16742.1 Ų42.173%0.72625%0.254SS*.THydrogen-bonded Turntrans52.239.4-179.7-161.7-174.4174.3179.40113.1V153 P205K151-V153 PolarHBondContact O-N 2.94Å; K151-P205 HydrophobicContact CB-CB 4.21Å; K151-P205 HydrophobicContact CB-CG 4.5Å
152G92.5Very high93.2Very high65 Ų6537.9 Ų37.967%0.6724%0.238SC*.THydrogen-bonded Turntrans75.90.6-178.600000115.5M149 I150M149-G152 WeakPolarHBondContact CE-O 3.44Å; I150-G152 PolarHBondContact O-N 2.99Å
153V94.8Very high93.2Very high60 Ų6041.2 Ų41.236%0.36426%0.255SS..EExtended strand (participates in β ladder)trans-93.3129.9173.9-178.20000109.4M149 I150 K151 F155M149-V153 WeakPolarHBondContact CA-O 3.36Å; I150-V153 PolarHBondContact N-O 2.94Å; I150-V153 WeakPolarHBondContact O-CB 3.27Å; I150-V153 PolarHBondContact O-N 3.19Å; K151-V153 PolarHBondContact O-N 2.94Å; V153-F155 HydrophobicContact CB-CE2 3.88Å; V153-F155 HydrophobicContact CB-CZ 4.48Å; V153-F155 HydrophobicContact CG1-CD2 4.34Å; V153-F155 HydrophobicContact CG1-CE2 3.81Å; V153-F155 HydrophobicContact CG1-CZ 4.12Å; V153-F155 WeakPolarHBondContact O-CD2 3.32Å
154E94.4Very high93Very high82 Ų8242.8 Ų42.838%0.38326%0.263SS..EExtended strand (participates in β ladder)trans-85.3123.9174.6-171.5165-113.900110.8S147 M149 C156 N157S147-E154 VanDerWaalsContact CB-OE1 3.31Å; S147-E154 WeakPolarHBondContact CB-OE1 3.2Å; S147-E154 WeakPolarHBondContact OG-CG 3.07Å; S147-E154 PolarHBondContact OG-OE1 2.97Å; M149-E154 HydrophobicContact CE-CB 4.36Å; M149-E154 WeakPolarHBondContact SD-CA 3.39Å; M149-E154 HydrophobicContact SD-CB 3.49Å; M149-E154 WeakPolarHBondContact SD-CB 3.2Å; M149-E154 HydrophobicContact SD-CG 3.83Å; E154-C156 WeakPolarHBondContact CG-O 3.38Å; E154-N157 HydrophobicContact CG-CB 4.47Å; E154-N157 WeakPolarHBondContact OE2-CB 3.44Å; E154-N157 PolarHBondContact OE2-ND2 3.43Å
155F91.5Very high92.8Very high9 Ų944.5 Ų44.54%0.03927%0.267CS..EExtended strand (participates in β ladder)trans-103.7-19178.8-74.1-90.2000113L148 I150 V153 Q176 R179 I180 L183L148-F155 HydrophobicContact CB-CB 4.29Å; L148-F155 HydrophobicContact CD2-CB 3.9Å; L148-F155 HydrophobicContact CG-CB 4.07Å; L148-F155 PolarHBondContact O-N 2.77Å; I150-F155 HydrophobicContact CB-CD2 4.15Å; I150-F155 HydrophobicContact CB-CE2 3.7Å; I150-F155 HydrophobicContact CD1-CD2 4.07Å; I150-F155 HydrophobicContact CD1-CE2 3.97Å; I150-F155 HydrophobicContact CD1-CZ 4.48Å; I150-F155 HydrophobicContact CG1-CD2 3.92Å; I150-F155 HydrophobicContact CG1-CE2 3.9Å; V153-F155 HydrophobicContact CB-CE2 3.88Å; V153-F155 HydrophobicContact CB-CZ 4.48Å; V153-F155 HydrophobicContact CG1-CD2 4.34Å; V153-F155 HydrophobicContact CG1-CE2 3.81Å; V153-F155 HydrophobicContact CG1-CZ 4.12Å; V153-F155 WeakPolarHBondContact O-CD2 3.32Å; F155-Q176 PolarHBondContact O-OE1 2.54Å; F155-Q176 VanDerWaalsContact O-OE1 3.08Å; F155-R179 HydrophobicContact CD1-CB 4.28Å; F155-R179 HydrophobicContact CE1-CB 3.75Å; F155-I180 HydrophobicContact CB-CD1 4.38Å; F155-I180 HydrophobicContact CB-CG1 4.49Å; F155-I180 HydrophobicContact CD1-CD1 4.04Å; F155-I180 HydrophobicContact CD1-CG1 3.31Å; F155-I180 HydrophobicContact CD2-CG1 4.32Å; F155-I180 HydrophobicContact CE1-CB 4.26Å; F155-I180 HydrophobicContact CE1-CG1 3.41Å; F155-I180 VanDerWaalsContact CE1-CG1 3.41Å; F155-I180 HydrophobicContact CE2-CG1 4.43Å; F155-I180 HydrophobicContact CG-CD1 4.18Å; F155-I180 HydrophobicContact CG-CG1 3.78Å; F155-I180 HydrophobicContact CZ-CG1 3.99Å; F155-L183 HydrophobicContact CE2-CD2 3.76Å; F155-L183 HydrophobicContact CZ-CB 4.34Å; F155-L183 HydrophobicContact CZ-CD2 3.58Å
156C88.2Confident92.5Very high10 Ų1047 Ų477%0.06829%0.293CS..EExtended strand (participates in β ladder)trans-145.5145.3167.4135.40000109.3S147 L148 E154 C159 F244S147-C156 VanDerWaalsContact CA-O 3.25Å; S147-C156 WeakPolarHBondContact CA-O 3.37Å; S147-C156 PolarHBondContact OG-O 3.06Å; L148-C156 HydrophobicContact CB-CB 4.21Å; L148-C156 PolarHBondContact N-O 2.85Å; E154-C156 WeakPolarHBondContact CG-O 3.38Å; C156-C159 HydrophobicContact CB-CB 4Å; C156-C159 WeakPolarHBondContact CB-SG 3.3Å; C156-C159 WeakPolarHBondContact SG-CB 3.48Å; C156-C159 PolarHBondContact SG-N 2.88Å; C156-C159 CovalentContact SG-SG 2.03Å; C156-C159 PolarHBondContact SG-SG 2.88Å; C156-F244 HydrophobicContact CB-CD1 3.85Å; C156-F244 HydrophobicContact CB-CE1 3.44Å; C156-F244 VanDerWaalsContact CB-CE1 3.44Å
157N89.8Confident91.8Very high129 Ų12945.8 Ų45.869%0.6928%0.283SS*.EExtended strand (participates in β ladder)trans-128.1101.9170.6-169.5-32.8000107.9E154E154-N157 HydrophobicContact CG-CB 4.47Å; E154-N157 WeakPolarHBondContact OE2-CB 3.44Å; E154-N157 PolarHBondContact OE2-ND2 3.43Å
158G91.6Very high91.1Very high59 Ų5948.9 Ų48.961%0.60831%0.305SS*.EExtended strand (participates in β ladder)trans67.274.5-175.400000113.8M145 S146M145-G158 WeakPolarHBondContact O-CA 3.27Å; S146-G158 PolarHBondContact O-N 3.09Å
159C92.4Very high90.4Very high15 Ų1549.7 Ų49.710%0.10131%0.31CS..EExtended strand (participates in β ladder)trans-118.8175.3175.654.10000111.8M145 C156 F244M145-C159 WeakPolarHBondContact CE-SG 3.49Å; M145-C159 PolarHBondContact N-O 3.01Å; M145-C159 PolarHBondContact O-N 2.91Å; C156-C159 HydrophobicContact CB-CB 4Å; C156-C159 WeakPolarHBondContact CB-SG 3.3Å; C156-C159 WeakPolarHBondContact SG-CB 3.48Å; C156-C159 PolarHBondContact SG-N 2.88Å; C156-C159 CovalentContact SG-SG 2.03Å; C156-C159 PolarHBondContact SG-SG 2.88Å; C159-F244 HydrophobicContact CB-CD1 3.7Å; C159-F244 HydrophobicContact CB-CE1 4.35Å
160T93.1Very high90Very high42 Ų4248.5 Ų48.526%0.25830%0.304SS..EExtended strand (participates in β ladder)trans-102141.3175.1-60.10000109.6V136 A142 V143 T243V136-T160 HydrophobicContact CG2-CG2 4.19Å; A142-T160 HydrophobicContact CB-CG2 3.68Å; V143-T160 WeakPolarHBondContact O-CA 3.17Å; T160-T243 CarbonylContact C-O 3.49Å; T160-T243 CarbonylContact O-C 3.59Å; T160-T243 PolarHBondContact O-N 3.23Å
161A93Very high89.5Confident0 Ų051.7 Ų51.70%032%0.321CS..EExtended strand (participates in β ladder)trans-125.4132.8170.800000109.3A142 V143 M145 F211 L240 I242A142-A161 CarbonylContact C-O 3.56Å; A142-A161 WeakPolarHBondContact CA-O 3.44Å; V143-A161 HydrophobicContact CG2-CB 4.46Å; V143-A161 WeakPolarHBondContact CG2-O 3.3Å; V143-A161 PolarHBondContact N-O 2.94Å; V143-A161 PolarHBondContact O-N 2.85Å; M145-A161 HydrophobicContact CB-CB 4.44Å; A161-F211 HydrophobicContact CB-CE1 3.98Å; A161-F211 HydrophobicContact CB-CZ 4.13Å; A161-L240 HydrophobicContact CB-CD1 4.06Å; A161-L240 HydrophobicContact CB-CD2 4.22Å; A161-L240 HydrophobicContact CB-CG 4.17Å; A161-I242 HydrophobicContact CB-CG1 4.27Å
162T92.1Very high89.3Confident8 Ų845 Ų455%0.04930%0.3CS..EExtended strand (participates in β ladder)trans-95.1125173.2-650000109.5I140 W141 D164 L240 F241I140-T162 HydrophobicContact CD1-CG2 3.53Å; I140-T162 HydrophobicContact CG1-CG2 3.74Å; W141-T162 CarbonylContact O-C 3.51Å; W141-T162 WeakPolarHBondContact O-CA 3.47Å; T162-D164 HydrophobicContact CG2-CB 4.32Å; T162-D164 PolarHBondContact O-N 3.02Å; T162-L240 CarbonylContact O-C 3.59Å; T162-F241 CarbonylContact C-O 3.56Å; T162-F241 WeakPolarHBondContact CA-O 3.3Å; T162-F241 WeakPolarHBondContact CB-O 3.3Å; T162-F241 PolarHBondContact N-O 3.18Å; T162-F241 CarbonylContact O-C 3.4Å; T162-F241 WeakPolarHBondContact O-CA 3.39Å; T162-F241 PolarHBondContact O-N 2.98Å
163I93.3Very high88.9Confident74 Ų7446.2 Ų46.238%0.37929%0.288SS..EExtended strand (participates in β ladder)trans-80.7114.9170.3-40.2-52.8000107.8W141 V143 L240W141-I163 HydrophobicContact CB-CB 4.17Å; W141-I163 PolarHBondContact O-N 3.37Å; V143-I163 HydrophobicContact CG2-CD1 3.91Å; V143-I163 HydrophobicContact CG2-CG1 4.43Å; I163-L240 HydrophobicContact CD1-CD1 3.13Å; I163-L240 HydrophobicContact CG1-CD1 4.49Å
164D90.6Very high88.4Confident45 Ų4553.7 Ų53.724%0.24131%0.31CS..  trans-135.5106.4-173-177.117.1000111.9T162 G166 T167 A239 F241T162-D164 HydrophobicContact CG2-CB 4.32Å; T162-D164 PolarHBondContact O-N 3.02Å; D164-G166 PolarHBondContact O-N 3.09Å; D164-G166 WeakPolarHBondContact OD1-CA 3.14Å; D164-G166 PolarHBondContact OD1-N 3.2Å; D164-T167 WeakPolarHBondContact OD2-CB 2.78Å; D164-T167 PolarHBondContact OD2-OG1 3.5Å; D164-A239 PolarHBondContact N-O 3.2Å; D164-A239 VanDerWaalsContact N-O 3.09Å; D164-A239 WeakPolarHBondContact O-CB 2.95Å; D164-F241 HydrophobicContact CB-CB 4.15Å
165T91.1Very high88.1Confident68 Ų6856.2 Ų56.242%0.41732%0.321SS..THydrogen-bonded Turntrans-74.8-13.5176.254.20000113.3F102 T167F102-T165 HydrophobicContact CB-CG2 4.35Å; F102-T165 HydrophobicContact CD1-CG2 4.12Å; F102-T165 HydrophobicContact CD2-CG2 3.83Å; F102-T165 HydrophobicContact CE1-CG2 4.36Å; F102-T165 HydrophobicContact CE2-CG2 4.09Å; F102-T165 HydrophobicContact CG-CG2 3.84Å; F102-T165 HydrophobicContact CZ-CG2 4.35Å; T165-T167 VanDerWaalsContact C-N 3.32Å
166G86.8Confident87.9Confident52 Ų5257.3 Ų57.354%0.53633%0.327SS..THydrogen-bonded Turntrans-81.2-11.117700000114D164D164-G166 PolarHBondContact O-N 3.09Å; D164-G166 WeakPolarHBondContact OD1-CA 3.14Å; D164-G166 PolarHBondContact OD1-N 3.2Å
167T81.8Confident87.9Confident23 Ų2358.9 Ų58.914%0.14134%0.336CS..  trans-114.4125.2-178.7-620000110D164 T165 V169 L171D164-T167 WeakPolarHBondContact OD2-CB 2.78Å; D164-T167 PolarHBondContact OD2-OG1 3.5Å; T165-T167 VanDerWaalsContact C-N 3.32Å; T167-V169 HydrophobicContact CG2-CG2 3.61Å; T167-V169 VanDerWaalsContact CG2-O 3.28Å; T167-V169 WeakPolarHBondContact CG2-O 3.47Å; T167-V169 PolarHBondContact O-N 3.29Å; T167-L171 HydrophobicContact CG2-CD1 3.95Å; T167-L171 HydrophobicContact CG2-CG 4.46Å
168S79.2Confident87.7Confident75 Ų7556.3 Ų56.352%0.52433%0.325SS..SBendtrans-83.53.4-179.364.40000113.8M237S168-M237 WeakPolarHBondContact O-CG 3.05Å
169V79.8Confident87.6Confident19 Ų1958.6 Ų58.612%0.11532%0.315CS..SBendtrans-133145.9-172.8-66.90000113.4T167 L171 Y235 I236T167-V169 HydrophobicContact CG2-CG2 3.61Å; T167-V169 VanDerWaalsContact CG2-O 3.28Å; T167-V169 WeakPolarHBondContact CG2-O 3.47Å; T167-V169 PolarHBondContact O-N 3.29Å; V169-L171 HydrophobicContact CB-CD2 4.44Å; V169-L171 HydrophobicContact CG2-CD1 3.93Å; V169-L171 HydrophobicContact CG2-CD2 3.67Å; V169-L171 HydrophobicContact CG2-CG 3.68Å; V169-L171 PolarHBondContact O-N 2.97Å; V169-Y235 HydrophobicContact CG1-CD1 3.14Å; V169-Y235 HydrophobicContact CG1-CE1 3.99Å; V169-Y235 HydrophobicContact CG1-CG 3.8Å; V169-I236 CarbonylContact C-O 3.56Å; V169-I236 VanDerWaalsContact C-O 3.29Å; V169-I236 WeakPolarHBondContact CA-O 3.32Å
170I85.7Confident87.6Confident16 Ų1658.5 Ų58.58%0.08231%0.314CS..  trans-79111.1165.9-56.9-175.2000108.1F209 L218 I236 N238 L240 I242I170-F209 HydrophobicContact CD1-CE1 4.16Å; I170-F209 HydrophobicContact CD1-CE2 4.39Å; I170-F209 HydrophobicContact CD1-CZ 3.62Å; I170-F209 HydrophobicContact CG2-CE1 4.44Å; I170-L218 HydrophobicContact CD1-CD1 3.78Å; I170-I236 HydrophobicContact CB-CB 3.68Å; I170-I236 HydrophobicContact CB-CD1 4.22Å; I170-I236 HydrophobicContact CB-CG2 3.43Å; I170-I236 VanDerWaalsContact CB-CG2 3.43Å; I170-I236 HydrophobicContact CD1-CG2 3.38Å; I170-I236 HydrophobicContact CG1-CB 4.1Å; I170-I236 HydrophobicContact CG1-CG2 3.41Å; I170-I236 VanDerWaalsContact CG1-CG2 3.41Å; I170-I236 HydrophobicContact CG2-CG2 4.42Å; I170-I236 PolarHBondContact N-O 3.12Å; I170-N238 VanDerWaalsContact CG1-O 3.23Å; I170-N238 WeakPolarHBondContact CG1-O 3.45Å; I170-L240 VanDerWaalsContact CA-O 3.25Å; I170-L240 WeakPolarHBondContact CA-O 3.32Å; I170-L240 HydrophobicContact CD1-CB 4.3Å; I170-L240 HydrophobicContact CG1-CB 4.26Å; I170-L240 WeakPolarHBondContact CG1-O 3.39Å; I170-L240 WeakPolarHBondContact CG2-O 3.46Å; I170-I242 HydrophobicContact CG2-CD1 3.89Å; I170-I242 HydrophobicContact CG2-CG1 4.13Å
171L85.5Confident87.4Confident67 Ų6757.6 Ų57.635%0.35131%0.307SS..  trans-98159.8176.1-63.8175.3000109.8T167 V169 F241 I242T167-L171 HydrophobicContact CG2-CD1 3.95Å; T167-L171 HydrophobicContact CG2-CG 4.46Å; V169-L171 HydrophobicContact CB-CD2 4.44Å; V169-L171 HydrophobicContact CG2-CD1 3.93Å; V169-L171 HydrophobicContact CG2-CD2 3.67Å; V169-L171 HydrophobicContact CG2-CG 3.68Å; V169-L171 PolarHBondContact O-N 2.97Å; L171-F241 HydrophobicContact CB-CD2 3.55Å; L171-F241 HydrophobicContact CB-CE2 3.59Å; L171-F241 HydrophobicContact CB-CG 4.42Å; L171-F241 HydrophobicContact CB-CZ 4.49Å; L171-F241 HydrophobicContact CD1-CD2 3.57Å; L171-F241 HydrophobicContact CD1-CE2 3.29Å; L171-F241 HydrophobicContact CG-CD2 3.97Å; L171-F241 HydrophobicContact CG-CE2 3.98Å; L171-I242 CarbonylContact C-O 3.51Å; L171-I242 CarbonylContact O-C 3.6Å; L171-I242 WeakPolarHBondContact O-CA 3.47Å; L171-I242 VanDerWaalsContact O-CB 3.29Å; L171-I242 WeakPolarHBondContact O-CB 3.36Å; L171-I242 PolarHBondContact O-N 3.44Å
172G87.1Confident87.2Confident27 Ų2761.6 Ų61.628%0.27834%0.335SS..  trans-163.7170.1-17400000110.9R174 I242G172-R174 PolarHBondContact O-N 2.98Å; G172-I242 WeakPolarHBondContact CA-O 3.29Å
173E85.1Confident87.1Confident91 Ų9164.3 Ų64.343%0.42535%0.349SS..  trans-60.1138.1172.1-90.2-173.8170.300109.6E175 Q176 V177 F244E173-E175 PolarHBondContact O-N 2.83Å; E173-E175 VanDerWaalsContact O-N 3.11Å; E173-Q176 PolarHBondContact O-N 2.73Å; E173-V177 WeakPolarHBondContact O-CG2 3.43Å; E173-V177 PolarHBondContact O-N 2.88Å; E173-F244 HydrophobicContact CB-CB 4.29Å; E173-F244 HydrophobicContact CB-CD2 3.48Å; E173-F244 VanDerWaalsContact CB-CD2 3.48Å; E173-F244 HydrophobicContact CB-CE2 4.14Å; E173-F244 HydrophobicContact CB-CG 4.22Å; E173-F244 VanDerWaalsContact CD-CB 3.49Å; E173-F244 HydrophobicContact CG-CB 3.69Å; E173-F244 HydrophobicContact CG-CD2 3.74Å; E173-F244 HydrophobicContact CG-CG 4.15Å
174R84.9Confident86.9Confident217 Ų21761.4 Ų61.482%0.81933%0.334SS*.Hα-helixtrans-51.7-41.4-174.8-177.3176.9179.5166.51.1112.6G172 T178G172-R174 PolarHBondContact O-N 2.98Å; R174-T178 VanDerWaalsContact O-CB 3.29Å; R174-T178 WeakPolarHBondContact O-CB 3.5Å; R174-T178 PolarHBondContact O-N 2.84Å; R174-T178 PolarHBondContact O-OG1 2.85Å
175E87.6Confident86.8Confident134 Ų13460.4 Ų60.463%0.62634%0.335SS*.Hα-helixtrans-65.6-48.6-179.7-172.4176.2171.200111.6E173 T178 R179E173-E175 PolarHBondContact O-N 2.83Å; E173-E175 VanDerWaalsContact O-N 3.11Å; E175-T178 PolarHBondContact O-N 3.07Å; E175-R179 WeakPolarHBondContact O-CG 3.41Å; E175-R179 PolarHBondContact O-N 2.99Å
176Q86.9Confident86.6Confident32 Ų3258.3 Ų58.315%0.1532%0.322CS..Hα-helixtrans-64.2-45.1178.6-61.4-53.1-21.900111.6F155 E173 T178 R179 I180 F244F155-Q176 PolarHBondContact O-OE1 2.54Å; F155-Q176 VanDerWaalsContact O-OE1 3.08Å; E173-Q176 PolarHBondContact O-N 2.73Å; Q176-T178 VanDerWaalsContact C-N 3.3Å; Q176-T178 PolarHBondContact O-N 3.16Å; Q176-R179 PolarHBondContact O-N 3.47Å; Q176-R179 VanDerWaalsContact O-N 3.17Å; Q176-I180 VanDerWaalsContact O-CG1 3.27Å; Q176-I180 WeakPolarHBondContact O-CG1 3.23Å; Q176-I180 PolarHBondContact O-N 2.76Å; Q176-F244 HydrophobicContact CB-CE2 3.9Å; Q176-F244 HydrophobicContact CB-CZ 3.97Å; Q176-F244 HydrophobicContact CG-CD2 4.42Å; Q176-F244 HydrophobicContact CG-CE1 4.36Å; Q176-F244 HydrophobicContact CG-CE2 4.1Å; Q176-F244 HydrophobicContact CG-CZ 4.07Å
177V88Confident86.1Confident43 Ų4359.4 Ų59.426%0.26132%0.321SS..Hα-helixtrans-59.8-41.6176.8175.10000111.1E173 R179 I180 N181E173-V177 WeakPolarHBondContact O-CG2 3.43Å; E173-V177 PolarHBondContact O-N 2.88Å; V177-R179 PolarHBondContact O-N 2.87Å; V177-I180 PolarHBondContact O-N 2.96Å; V177-N181 WeakPolarHBondContact O-CB 3.01Å; V177-N181 PolarHBondContact O-N 3.23Å
178T86.1Confident85.6Confident76 Ų7666.2 Ų66.247%0.46635%0.345SS..Hα-helixtrans-62.7-43176.9-58.80000111.6R174 E175 Q176 S182R174-T178 VanDerWaalsContact O-CB 3.29Å; R174-T178 WeakPolarHBondContact O-CB 3.5Å; R174-T178 PolarHBondContact O-N 2.84Å; R174-T178 PolarHBondContact O-OG1 2.85Å; E175-T178 PolarHBondContact O-N 3.07Å; Q176-T178 VanDerWaalsContact C-N 3.3Å; Q176-T178 PolarHBondContact O-N 3.16Å; T178-S182 WeakPolarHBondContact O-CB 3.28Å; T178-S182 PolarHBondContact O-N 2.85Å; T178-S182 PolarHBondContact O-OG 2.84Å
179R90.1Very high85.2Confident106 Ų10666.6 Ų66.640%0.434%0.339SS..Hα-helixtrans-65-42.8176.6-67.9173.868.1-139.53.3111.6F155 E175 Q176 V177 S182 L183F155-R179 HydrophobicContact CD1-CB 4.28Å; F155-R179 HydrophobicContact CE1-CB 3.75Å; E175-R179 WeakPolarHBondContact O-CG 3.41Å; E175-R179 PolarHBondContact O-N 2.99Å; Q176-R179 PolarHBondContact O-N 3.47Å; Q176-R179 VanDerWaalsContact O-N 3.17Å; V177-R179 PolarHBondContact O-N 2.87Å; R179-S182 PolarHBondContact O-N 2.9Å; R179-L183 PolarHBondContact O-N 3.04Å
180I91.3Very high84.4Confident13 Ų1372.4 Ų72.47%0.06737%0.374CS..Hα-helixtrans-61.9-50.9177.1-68.2169.9000110.2L148 I150 F155 Q176 V177 S182 L183 L184L148-I180 HydrophobicContact CD2-CD1 3.91Å; I150-I180 HydrophobicContact CD1-CB 4.29Å; I150-I180 HydrophobicContact CD1-CD1 4.18Å; I150-I180 HydrophobicContact CD1-CG1 3.82Å; I150-I180 HydrophobicContact CD1-CG2 3.65Å; F155-I180 HydrophobicContact CB-CD1 4.38Å; F155-I180 HydrophobicContact CB-CG1 4.49Å; F155-I180 HydrophobicContact CD1-CD1 4.04Å; F155-I180 HydrophobicContact CD1-CG1 3.31Å; F155-I180 HydrophobicContact CD2-CG1 4.32Å; F155-I180 HydrophobicContact CE1-CB 4.26Å; F155-I180 HydrophobicContact CE1-CG1 3.41Å; F155-I180 VanDerWaalsContact CE1-CG1 3.41Å; F155-I180 HydrophobicContact CE2-CG1 4.43Å; F155-I180 HydrophobicContact CG-CD1 4.18Å; F155-I180 HydrophobicContact CG-CG1 3.78Å; F155-I180 HydrophobicContact CZ-CG1 3.99Å; Q176-I180 VanDerWaalsContact O-CG1 3.27Å; Q176-I180 WeakPolarHBondContact O-CG1 3.23Å; Q176-I180 PolarHBondContact O-N 2.76Å; V177-I180 PolarHBondContact O-N 2.96Å; I180-S182 VanDerWaalsContact C-N 3.28Å; I180-S182 PolarHBondContact O-N 2.87Å; I180-L183 WeakPolarHBondContact O-CB 3.4Å; I180-L183 PolarHBondContact O-N 2.62Å; I180-L184 HydrophobicContact CG2-CD1 3.84Å; I180-L184 HydrophobicContact CG2-CG 4.35Å; I180-L184 WeakPolarHBondContact O-CG 3.34Å; I180-L184 PolarHBondContact O-N 2.89Å
181N89Confident83.3Confident24 Ų2475.6 Ų75.613%0.12840%0.395CS..Hα-helixtrans-58.5-41.4178.7-77.3-5.9000111.6V177 L184 G185 V186V177-N181 WeakPolarHBondContact O-CB 3.01Å; V177-N181 PolarHBondContact O-N 3.23Å; N181-L184 PolarHBondContact O-N 3.36Å; N181-G185 PolarHBondContact O-N 2.96Å; N181-V186 HydrophobicContact CB-CB 3.93Å; N181-V186 HydrophobicContact CB-CG1 4.19Å; N181-V186 WeakPolarHBondContact O-CB 3.42Å; N181-V186 PolarHBondContact O-N 3.24Å
182S88.7Confident82.6Confident83 Ų8373.8 Ų73.858%0.5839%0.392SS*.Hα-helixtrans-62-43.5174.7-580000112T178 R179 I180 L184 G185T178-S182 WeakPolarHBondContact O-CB 3.28Å; T178-S182 PolarHBondContact O-N 2.85Å; T178-S182 PolarHBondContact O-OG 2.84Å; R179-S182 PolarHBondContact O-N 2.9Å; I180-S182 VanDerWaalsContact C-N 3.28Å; I180-S182 PolarHBondContact O-N 2.87Å; S182-L184 VanDerWaalsContact C-N 3.33Å; S182-L184 PolarHBondContact O-N 3.13Å; S182-G185 PolarHBondContact O-N 2.96Å; S182-G185 VanDerWaalsContact O-N 3.16Å
183L90.4Very high81.7Confident66 Ų6677.3 Ų77.335%0.34640%0.397SS..Hα-helixtrans-63.2-38.4177.6-179.566.2000112.3I150 F155 R179 I180 G185I150-L183 HydrophobicContact CB-CD2 3.86Å; I150-L183 HydrophobicContact CG2-CD2 3.7Å; F155-L183 HydrophobicContact CE2-CD2 3.76Å; F155-L183 HydrophobicContact CZ-CB 4.34Å; F155-L183 HydrophobicContact CZ-CD2 3.58Å; R179-L183 PolarHBondContact O-N 3.04Å; I180-L183 WeakPolarHBondContact O-CB 3.4Å; I180-L183 PolarHBondContact O-N 2.62Å; L183-G185 PolarHBondContact O-N 3.03Å
184L89.9Confident81.1Confident12 Ų1274.9 Ų74.96%0.06339%0.387CS..Hα-helixtrans-77.5-11178-62.5177.1000112.6I150 I180 N181 S182 V186 L196 R200 L204 P205 Y223I150-L184 HydrophobicContact CG2-CD2 4.46Å; I180-L184 HydrophobicContact CG2-CD1 3.84Å; I180-L184 HydrophobicContact CG2-CG 4.35Å; I180-L184 WeakPolarHBondContact O-CG 3.34Å; I180-L184 PolarHBondContact O-N 2.89Å; N181-L184 PolarHBondContact O-N 3.36Å; S182-L184 VanDerWaalsContact C-N 3.33Å; S182-L184 PolarHBondContact O-N 3.13Å; L184-V186 HydrophobicContact CB-CG2 4.04Å; L184-L196 WeakPolarHBondContact O-CD1 3.37Å; L184-R200 PolarHBondContact O-NH2 3.31Å; L184-L204 HydrophobicContact CB-CD2 4.5Å; L184-L204 HydrophobicContact CD2-CD2 4.49Å; L184-P205 HydrophobicContact CD2-CG 3.78Å; L184-Y223 HydrophobicContact CD1-CE2 4.29Å
185G88Confident80.7Confident25 Ų2565.9 Ų65.926%0.25836%0.356SS..THydrogen-bonded Turntrans71.133-176.900000112.9N181 S182 L183 R200N181-G185 PolarHBondContact O-N 2.96Å; S182-G185 PolarHBondContact O-N 2.96Å; S182-G185 VanDerWaalsContact O-N 3.16Å; L183-G185 PolarHBondContact O-N 3.03Å; G185-R200 PolarHBondContact O-NH1 2.91Å
186V85.9Confident80.5Confident23 Ų2360 Ų6014%0.13933%0.329CS..  trans-75134.3171.8171.50000108.9N181 L184 N194 V195 L196 S233N181-V186 HydrophobicContact CB-CB 3.93Å; N181-V186 HydrophobicContact CB-CG1 4.19Å; N181-V186 WeakPolarHBondContact O-CB 3.42Å; N181-V186 PolarHBondContact O-N 3.24Å; L184-V186 HydrophobicContact CB-CG2 4.04Å; V186-N194 HydrophobicContact CG1-CB 3.58Å; V186-V195 WeakPolarHBondContact CA-O 3.48Å; V186-L196 HydrophobicContact CG2-CD1 4.26Å; V186-S233 WeakPolarHBondContact CG1-OG 3.19Å
187S76.8Confident80.2Confident75 Ų7562.5 Ų62.552%0.52434%0.343SS..EExtended strand (participates in β ladder)trans-108.4150.7177.9-60.50000110.6N194 V195S187-N194 CarbonylContact O-C 3.52Å; S187-N194 WeakPolarHBondContact O-CA 3.41Å; S187-V195 PolarHBondContact N-O 2.83Å; S187-V195 WeakPolarHBondContact O-CG2 3.26Å; S187-V195 PolarHBondContact O-N 2.51Å
188Y72.4Confident80Confident166 Ų16662.7 Ų62.765%0.65135%0.346SS*.EExtended strand (participates in β ladder)trans-87.4117173-165.5-104.1000109.8G192Y188-G192 VanDerWaalsContact CE2-O 3.3Å; Y188-G192 WeakPolarHBondContact CE2-O 3.5Å; Y188-G192 VanDerWaalsContact CZ-C 3.47Å; Y188-G192 VanDerWaalsContact CZ-CA 3.42Å; Y188-G192 WeakPolarHBondContact OH-CA 3.21Å; Y188-G192 PolarHBondContact OH-O 2.59Å
189H68.9Low80Confident83 Ų8362.9 Ų62.938%0.38435%0.35SS..  trans-82.6151.4176.6-168-101.4000111T191 G192 R193 V195H189-T191 WeakPolarHBondContact ND1-CG2 3.4Å; H189-T191 PolarHBondContact ND1-N 2.81Å; H189-T191 PolarHBondContact ND1-OG1 2.8Å; H189-T191 PolarHBondContact O-N 3.06Å; H189-G192 PolarHBondContact O-N 3.48Å; H189-R193 WeakPolarHBondContact CA-O 3.26Å; H189-R193 VanDerWaalsContact CB-O 3.26Å; H189-R193 WeakPolarHBondContact CB-O 3.48Å; H189-R193 PolarHBondContact N-O 2.72Å; H189-V195 HydrophobicContact CB-CB 4.42Å; H189-V195 HydrophobicContact CB-CG1 3.52Å; H189-V195 HydrophobicContact CB-CG2 3.96Å
190V63Low79.8Confident141 Ų14162.2 Ų62.286%0.85535%0.348SS*.THydrogen-bonded Turntrans-57.8-19.4-178.7-63.70000114.1G192V190-G192 PolarHBondContact O-N 3.37Å
191T64.1Low79.6Confident84 Ų8462 Ų6252%0.51535%0.347SS..THydrogen-bonded Turntrans-763.817555.10000113.4H189 R193H189-T191 WeakPolarHBondContact ND1-CG2 3.4Å; H189-T191 PolarHBondContact ND1-N 2.81Å; H189-T191 PolarHBondContact ND1-OG1 2.8Å; H189-T191 PolarHBondContact O-N 3.06Å; T191-R193 VanDerWaalsContact C-N 3.34Å
192G69.5Low79.7Confident29 Ų2968 Ų6830%0.29938%0.379SS..SBendtrans83.411.4-177.700000114.1Y188 H189 V190Y188-G192 VanDerWaalsContact CE2-O 3.3Å; Y188-G192 WeakPolarHBondContact CE2-O 3.5Å; Y188-G192 VanDerWaalsContact CZ-C 3.47Å; Y188-G192 VanDerWaalsContact CZ-CA 3.42Å; Y188-G192 WeakPolarHBondContact OH-CA 3.21Å; Y188-G192 PolarHBondContact OH-O 2.59Å; H189-G192 PolarHBondContact O-N 3.48Å; V190-G192 PolarHBondContact O-N 3.37Å
193R68.8Low79.8Confident100 Ų10070.7 Ų70.738%0.37738%0.384SS..  trans-113.8141-171-56-171169.9158.5-5.1111.2H189 T191 L232 D234H189-R193 WeakPolarHBondContact CA-O 3.26Å; H189-R193 VanDerWaalsContact CB-O 3.26Å; H189-R193 WeakPolarHBondContact CB-O 3.48Å; H189-R193 PolarHBondContact N-O 2.72Å; T191-R193 VanDerWaalsContact C-N 3.34Å; R193-L232 HydrophobicContact CB-CD2 4.16Å; R193-L232 HydrophobicContact CG-CD2 4.32Å; R193-D234 VanDerWaalsContact CA-OD2 3.25Å; R193-D234 WeakPolarHBondContact CA-OD2 3.37Å; R193-D234 VanDerWaalsContact CB-OD2 3.27Å; R193-D234 WeakPolarHBondContact CB-OD2 3.41Å; R193-D234 WeakPolarHBondContact CG-OD2 3.23Å
194N73.2Confident79.9Confident40 Ų4068.2 Ų68.221%0.21437%0.371CS..EExtended strand (participates in β ladder)trans-70.5140.8168.7-69.6-62.7000109.7V186 S187 L232 S233 D234V186-N194 HydrophobicContact CG1-CB 3.58Å; S187-N194 CarbonylContact O-C 3.52Å; S187-N194 WeakPolarHBondContact O-CA 3.41Å; N194-L232 CarbonylContact O-C 3.59Å; N194-S233 WeakPolarHBondContact CB-O 3.33Å; N194-S233 CarbonylContact O-C 3.15Å; N194-S233 VanDerWaalsContact O-CA 3.24Å; N194-S233 WeakPolarHBondContact O-CA 3.38Å; N194-S233 PolarHBondContact O-N 2.88Å; N194-S233 PolarHBondContact O-OG 2.95Å; N194-D234 WeakPolarHBondContact CB-OD1 3.3Å; N194-D234 PolarHBondContact N-OD1 2.82Å; N194-D234 PolarHBondContact ND2-OD1 3.06Å; N194-D234 VanDerWaalsContact ND2-OD1 3.08Å
195V76.1Confident80.2Confident28 Ų2869 Ų6917%0.1738%0.376CS..EExtended strand (participates in β ladder)trans-140.7150.4-177.1-56.30000111.4V186 S187 H189 I231 S233V186-V195 WeakPolarHBondContact CA-O 3.48Å; S187-V195 PolarHBondContact N-O 2.83Å; S187-V195 WeakPolarHBondContact O-CG2 3.26Å; S187-V195 PolarHBondContact O-N 2.51Å; H189-V195 HydrophobicContact CB-CB 4.42Å; H189-V195 HydrophobicContact CB-CG1 3.52Å; H189-V195 HydrophobicContact CB-CG2 3.96Å; V195-I231 WeakPolarHBondContact CB-O 3.37Å; V195-I231 WeakPolarHBondContact CG1-O 3.2Å; V195-S233 PolarHBondContact N-OG 3.48Å
196L82.8Confident80.5Confident12 Ų1270.3 Ų70.36%0.06338%0.381CS..  trans-135.9151.5176.8-174.678.6000108.9L184 V186 I201 L204 V224 I231L184-L196 WeakPolarHBondContact O-CD1 3.37Å; V186-L196 HydrophobicContact CG2-CD1 4.26Å; L196-I201 HydrophobicContact CD2-CG1 4.47Å; L196-L204 HydrophobicContact CD1-CD2 4.3Å; L196-L204 HydrophobicContact CD2-CD1 3.36Å; L196-L204 HydrophobicContact CD2-CD2 4Å; L196-L204 HydrophobicContact CD2-CG 4.08Å; L196-V224 HydrophobicContact CD2-CG2 4.34Å; L196-I231 VanDerWaalsContact O-CB 3.27Å; L196-I231 WeakPolarHBondContact O-CB 3.26Å; L196-I231 WeakPolarHBondContact O-CD1 3.4Å; L196-I231 WeakPolarHBondContact O-CG2 3.46Å
197D82.1Confident81Confident84 Ų8469.4 Ų69.445%0.44938%0.375SS..  trans-74.2127.3169178.12.4000111.5S199 R200D197-S199 PolarHBondContact O-N 3.33Å; D197-S199 WeakPolarHBondContact OD1-CB 3.22Å; D197-S199 PolarHBondContact OD1-N 2.83Å; D197-S199 PolarHBondContact OD1-OG 3.23Å; D197-S199 VanDerWaalsContact OD1-OG 3.11Å; D197-S199 PolarHBondContact OD2-OG 3.2Å; D197-R200 HydrophobicContact CB-CG 4.11Å; D197-R200 WeakPolarHBondContact O-CB 3.36Å; D197-R200 PolarHBondContact O-N 3.12Å
198C82.1Confident81.9Confident47 Ų4768.1 Ų68.132%0.31836%0.361SS..G310 helixtrans-61.5-32.3-177.2-103.10000111.6R200 I201 I231C198-R200 PolarHBondContact O-N 3.21Å; C198-R200 VanDerWaalsContact O-N 3.12Å; C198-I201 HydrophobicContact CB-CD1 4.32Å; C198-I201 WeakPolarHBondContact O-CG1 3.32Å; C198-I201 PolarHBondContact O-N 3.45Å; C198-I231 HydrophobicContact CB-CD1 3.37Å; C198-I231 HydrophobicContact CB-CG1 4.24Å; C198-I231 WeakPolarHBondContact SG-CD1 3.14Å; C198-I231 WeakPolarHBondContact SG-CG1 3.34Å
199S86.3Confident82.9Confident80 Ų8060.7 Ų60.756%0.55933%0.332SS*.G310 helixtrans-62.1-18.7178.778.20000112.2D197D197-S199 PolarHBondContact O-N 3.33Å; D197-S199 WeakPolarHBondContact OD1-CB 3.22Å; D197-S199 PolarHBondContact OD1-N 2.83Å; D197-S199 PolarHBondContact OD1-OG 3.23Å; D197-S199 VanDerWaalsContact OD1-OG 3.11Å; D197-S199 PolarHBondContact OD2-OG 3.2Å
200R87Confident84.2Confident91 Ų9158.1 Ų58.134%0.34332%0.321SS..G310 helixtrans-96-5.2-177-56.8177.457.3-148.4-12.3114.4L184 G185 D197 C198 D202 M203 L204L184-R200 PolarHBondContact O-NH2 3.31Å; G185-R200 PolarHBondContact O-NH1 2.91Å; D197-R200 HydrophobicContact CB-CG 4.11Å; D197-R200 WeakPolarHBondContact O-CB 3.36Å; D197-R200 PolarHBondContact O-N 3.12Å; C198-R200 PolarHBondContact O-N 3.21Å; C198-R200 VanDerWaalsContact O-N 3.12Å; R200-D202 VanDerWaalsContact C-N 3.33Å; R200-D202 PolarHBondContact O-N 3.17Å; R200-M203 HydrophobicContact CB-CE 3.89Å; R200-M203 HydrophobicContact CG-CE 3.7Å; R200-M203 WeakPolarHBondContact O-CA 3.48Å; R200-M203 WeakPolarHBondContact O-CB 3.45Å; R200-M203 PolarHBondContact O-N 3.06Å; R200-L204 PolarHBondContact O-N 2.83Å
201I86.8Confident85.6Confident8 Ų851.9 Ų51.94%0.04128%0.282CS..G310 helixtrans-56-48.6-174.9-70170.5000110.9L196 C198 M203 L204 P220 V224 K226L196-I201 HydrophobicContact CD2-CG1 4.47Å; C198-I201 HydrophobicContact CB-CD1 4.32Å; C198-I201 WeakPolarHBondContact O-CG1 3.32Å; C198-I201 PolarHBondContact O-N 3.45Å; I201-M203 PolarHBondContact O-N 3.11Å; I201-M203 VanDerWaalsContact O-N 3.09Å; I201-L204 PolarHBondContact O-N 3.23Å; I201-L204 VanDerWaalsContact O-N 3.07Å; I201-P220 HydrophobicContact CG2-CB 3.89Å; I201-P220 WeakPolarHBondContact O-CB 3.44Å; I201-P220 WeakPolarHBondContact O-CG 3.37Å; I201-V224 HydrophobicContact CD1-CG1 3.9Å; I201-V224 HydrophobicContact CG1-CG1 4.04Å; I201-K226 HydrophobicContact CD1-CD 4.37Å; I201-K226 HydrophobicContact CD1-CG 4.18Å
202D89.9Confident86.9Confident150 Ų15052.2 Ų52.280%0.80228%0.278SS*.G310 helixtrans-68.1-11.9-178.6-58.2-25000113.1R200R200-D202 VanDerWaalsContact C-N 3.33Å; R200-D202 PolarHBondContact O-N 3.17Å
203M92.1Very high87.6Confident140 Ų14060.6 Ų60.669%0.6931%0.306SS*.G310 helixtrans-97.1-7.2176.8-61.6-172.6-78.700113.4R200 I201R200-M203 HydrophobicContact CB-CE 3.89Å; R200-M203 HydrophobicContact CG-CE 3.7Å; R200-M203 WeakPolarHBondContact O-CA 3.48Å; R200-M203 WeakPolarHBondContact O-CB 3.45Å; R200-M203 PolarHBondContact O-N 3.06Å; I201-M203 PolarHBondContact O-N 3.11Å; I201-M203 VanDerWaalsContact O-N 3.09Å
204L93Very high88.7Confident15 Ų1561 Ų618%0.07931%0.307CS..SBendtrans-74.5149179.5-57.5174.5000111.1L184 L196 R200 I201 P220 Y223 V224L184-L204 HydrophobicContact CB-CD2 4.5Å; L184-L204 HydrophobicContact CD2-CD2 4.49Å; L196-L204 HydrophobicContact CD1-CD2 4.3Å; L196-L204 HydrophobicContact CD2-CD1 3.36Å; L196-L204 HydrophobicContact CD2-CD2 4Å; L196-L204 HydrophobicContact CD2-CG 4.08Å; R200-L204 PolarHBondContact O-N 2.83Å; I201-L204 PolarHBondContact O-N 3.23Å; I201-L204 VanDerWaalsContact O-N 3.07Å; L204-P220 HydrophobicContact CB-CB 4.07Å; L204-P220 HydrophobicContact CB-CG 3.9Å; L204-P220 HydrophobicContact CD1-CB 4.41Å; L204-P220 WeakPolarHBondContact O-CG 3.4Å; L204-Y223 HydrophobicContact CB-CE2 4.46Å; L204-Y223 WeakPolarHBondContact CB-OH 3.36Å; L204-Y223 HydrophobicContact CD1-CE2 3.77Å; L204-V224 HydrophobicContact CD1-CG2 3.59Å
205P95.3Very high89.7Confident27 Ų2764.7 Ų64.718%0.17532%0.322CS..PPolyproline II helixtrans-73.7153.9179.131.1-36.1000111.9I150 K151 L184 Y223I150-P205 HydrophobicContact CG2-CB 4.14Å; I150-P205 HydrophobicContact CG2-CG 3.54Å; K151-P205 HydrophobicContact CB-CB 4.21Å; K151-P205 HydrophobicContact CB-CG 4.5Å; L184-P205 HydrophobicContact CD2-CG 3.78Å; P205-Y223 WeakPolarHBondContact O-CE1 3.31Å; P205-Y223 PolarHBondContact O-OH 3.46Å
206P95.4Very high90.5Very high53 Ų5367.4 Ų67.434%0.34433%0.33SS..PPolyproline II helixtrans-62152.5164.528-33.7000111.2I217 L218 L219P206-I217 HydrophobicContact CB-CG2 3.63Å; P206-L218 CarbonylContact C-O 3.54Å; P206-L218 VanDerWaalsContact CA-O 3.29Å; P206-L218 WeakPolarHBondContact CA-O 3.31Å; P206-L219 HydrophobicContact CB-CD2 4.42Å
207I94.7Very high91.1Very high5 Ų571 Ų713%0.02635%0.348CS..EExtended strand (participates in β ladder)trans-105.5122.6170-57.3179.6000107.7L148 I150 F209 I217 L218 Y223L148-I207 HydrophobicContact CD1-CG2 3.56Å; I150-I207 HydrophobicContact CD1-CD1 4.19Å; I150-I207 HydrophobicContact CD1-CG1 3.98Å; I150-I207 HydrophobicContact CD1-CG2 4.23Å; I150-I207 HydrophobicContact CG1-CB 4.38Å; I150-I207 HydrophobicContact CG1-CG1 4.08Å; I150-I207 HydrophobicContact CG1-CG2 4.03Å; I207-F209 HydrophobicContact CB-CE2 4.07Å; I207-F209 HydrophobicContact CG2-CD2 4.01Å; I207-F209 HydrophobicContact CG2-CE2 3.34Å; I207-F209 HydrophobicContact CG2-CZ 3.75Å; I207-I217 WeakPolarHBondContact O-CA 3.49Å; I207-L218 HydrophobicContact CB-CB 4.44Å; I207-L218 PolarHBondContact N-O 3.49Å; I207-L218 PolarHBondContact O-N 3.14Å; I207-Y223 HydrophobicContact CD1-CD1 3.74Å; I207-Y223 HydrophobicContact CD1-CD2 4.23Å; I207-Y223 HydrophobicContact CD1-CE1 3.93Å; I207-Y223 HydrophobicContact CD1-CE2 4.44Å; I207-Y223 HydrophobicContact CD1-CG 3.89Å; I207-Y223 HydrophobicContact CG1-CD1 3.94Å; I207-Y223 HydrophobicContact CG1-CE1 3.75Å
208E95.4Very high91.6Very high47 Ų4768.1 Ų68.122%0.2233%0.332CS..EExtended strand (participates in β ladder)trans-104.7114.3-179.6-51.6177.9-164.600110.1M149 K215 I217M149-E208 HydrophobicContact CB-CB 4.2Å; M149-E208 PolarHBondContact N-O 2.92Å; M149-E208 PolarHBondContact O-N 2.91Å; E208-K215 IonicContact OE2-NZ 2.81Å; E208-K215 PolarHBondContact OE2-NZ 2.99Å; E208-I217 HydrophobicContact CG-CG1 4.31Å
209F94.7Very high92.1Very high10 Ų1069.4 Ų69.44%0.04434%0.335CS..EExtended strand (participates in β ladder)trans-94.9123.5169.9-59.3-105.8000108.1M145 L148 I170 I207 F211 Y216 L218 L240 I242M145-F209 HydrophobicContact SD-CB 4.09Å; M145-F209 HydrophobicContact SD-CD1 3.66Å; M145-F209 HydrophobicContact SD-CG 4.34Å; L148-F209 HydrophobicContact CD1-CD1 3.84Å; L148-F209 HydrophobicContact CD1-CD2 4.4Å; L148-F209 HydrophobicContact CD1-CE1 3.81Å; L148-F209 HydrophobicContact CD1-CE2 4.34Å; L148-F209 HydrophobicContact CD1-CG 4.13Å; L148-F209 HydrophobicContact CD1-CZ 4.05Å; I170-F209 HydrophobicContact CD1-CE1 4.16Å; I170-F209 HydrophobicContact CD1-CE2 4.39Å; I170-F209 HydrophobicContact CD1-CZ 3.62Å; I170-F209 HydrophobicContact CG2-CE1 4.44Å; I207-F209 HydrophobicContact CB-CE2 4.07Å; I207-F209 HydrophobicContact CG2-CD2 4.01Å; I207-F209 HydrophobicContact CG2-CE2 3.34Å; I207-F209 HydrophobicContact CG2-CZ 3.75Å; F209-F211 HydrophobicContact CB-CD2 4.36Å; F209-F211 HydrophobicContact CB-CE2 3.76Å; F209-Y216 PolarHBondContact N-O 2.81Å; F209-Y216 PolarHBondContact O-N 2.52Å; F209-L218 HydrophobicContact CD2-CD1 4.42Å; F209-L218 HydrophobicContact CD2-CG 4.24Å; F209-L218 HydrophobicContact CE2-CB 4.42Å; F209-L218 HydrophobicContact CE2-CD1 3.55Å; F209-L218 HydrophobicContact CE2-CG 3.76Å; F209-L218 HydrophobicContact CZ-CD1 4.09Å; F209-L240 HydrophobicContact CD1-CD2 3.51Å; F209-L240 HydrophobicContact CE1-CD2 3.61Å; F209-L240 HydrophobicContact CG-CD2 4.44Å; F209-I242 HydrophobicContact CD1-CD1 4.06Å; F209-I242 HydrophobicContact CE1-CD1 3.48Å; F209-I242 VanDerWaalsContact CE1-CD1 3.48Å; F209-I242 HydrophobicContact CE1-CG1 4.41Å
210I95Very high92.3Very high29 Ų2966.2 Ų66.215%0.14931%0.313CS..EExtended strand (participates in β ladder)trans-110.5112.5-176.2-49.3-173.5000108.5M145 S146 S147 M149 R214 K215M145-I210 CarbonylContact C-O 3.45Å; M145-I210 WeakPolarHBondContact CG-O 3.45Å; S146-I210 WeakPolarHBondContact CB-O 3.4Å; S146-I210 PolarHBondContact N-O 2.62Å; S147-I210 PolarHBondContact N-O 3.41Å; S147-I210 PolarHBondContact O-N 2.8Å; M149-I210 HydrophobicContact CG-CD1 4.06Å; I210-R214 WeakPolarHBondContact CA-O 3.42Å; I210-K215 HydrophobicContact CD1-CG 4.39Å; I210-K215 HydrophobicContact CG1-CG 4.21Å
211F94Very high92.2Very high11 Ų1167 Ų675%0.04832%0.321CS..EExtended strand (participates in β ladder)trans-110.8124174.1-65.3-84.9000108.6I133 V143 G144 M145 A161 F209 K213 R214 Y216 L240I133-F211 HydrophobicContact CD1-CB 3.53Å; I133-F211 HydrophobicContact CD1-CD1 4.08Å; I133-F211 HydrophobicContact CD1-CG 3.86Å; I133-F211 HydrophobicContact CG1-CB 4.44Å; V143-F211 HydrophobicContact CG2-CD1 4.04Å; V143-F211 HydrophobicContact CG2-CE1 3.67Å; G144-F211 WeakPolarHBondContact O-CD1 3.45Å; M145-F211 HydrophobicContact CB-CD1 4.07Å; M145-F211 HydrophobicContact CB-CE1 3.68Å; M145-F211 HydrophobicContact CB-CZ 4.27Å; M145-F211 HydrophobicContact CG-CD1 4.32Å; M145-F211 HydrophobicContact CG-CE1 3.98Å; M145-F211 HydrophobicContact CG-CZ 4.15Å; M145-F211 HydrophobicContact SD-CE1 4.37Å; M145-F211 HydrophobicContact SD-CE2 4.45Å; M145-F211 HydrophobicContact SD-CZ 4Å; A161-F211 HydrophobicContact CB-CE1 3.98Å; A161-F211 HydrophobicContact CB-CZ 4.13Å; F209-F211 HydrophobicContact CB-CD2 4.36Å; F209-F211 HydrophobicContact CB-CE2 3.76Å; F211-K213 PolarHBondContact O-N 3.12Å; F211-R214 PolarHBondContact N-O 2.57Å; F211-R214 PolarHBondContact O-N 3.32Å; F211-Y216 HydrophobicContact CB-CE2 4.23Å; F211-Y216 AromaticContact CD2-CD2 3.65Å; F211-Y216 HydrophobicContact CD2-CD2 3.65Å; F211-Y216 AromaticContact CD2-CE2 3.94Å; F211-Y216 HydrophobicContact CD2-CE2 3.94Å; F211-Y216 HydrophobicContact CE2-CD2 4.4Å; F211-L240 HydrophobicContact CZ-CD1 4.13Å; F211-L240 HydrophobicContact CZ-CD2 4.02Å
212Q89.9Confident92.2Very high90 Ų9069.1 Ų69.142%0.42133%0.33SS..THydrogen-bonded Turntrans49.4-107.8-171.8-57.4-176.312.300111.6S146S146-Q212 PolarHBondContact OG-N 3.05Å; S146-Q212 PolarHBondContact OG-O 3.08Å
213K85.4Confident92Very high206 Ų20662.3 Ų62.390%0.89629%0.293SS*.THydrogen-bonded Turntrans-108.7-2.5-179.9-63.8-176.8-179.2178.30113.4F211F211-K213 PolarHBondContact O-N 3.12Å
214R91.8Very high91.6Very high108 Ų10856.5 Ų56.541%0.40827%0.265SS..EExtended strand (participates in β ladder)trans-104.5141.2-176.6-168.1166.6-174.3174.91.1111.8E131 I210 F211 Y216E131-R214 WeakPolarHBondContact OE2-CB 3.48Å; E131-R214 WeakPolarHBondContact OE2-CD 3.23Å; E131-R214 IonicContact OE2-NE 3.73Å; E131-R214 IonicContact OE2-NH1 2.62Å; I210-R214 WeakPolarHBondContact CA-O 3.42Å; F211-R214 PolarHBondContact N-O 2.57Å; F211-R214 PolarHBondContact O-N 3.32Å; R214-Y216 HydrophobicContact CB-CE2 4.07Å; R214-Y216 HydrophobicContact CG-CD2 4.46Å; R214-Y216 HydrophobicContact CG-CE2 3.97Å
215K93.4Very high90.9Very high118 Ų11857.2 Ų57.251%0.51327%0.27SS..EExtended strand (participates in β ladder)trans-99.9128.7174.4-61.2-170.9171.1-158.40109.7E208 I210 I217E208-K215 IonicContact OE2-NZ 2.81Å; E208-K215 PolarHBondContact OE2-NZ 2.99Å; I210-K215 HydrophobicContact CD1-CG 4.39Å; I210-K215 HydrophobicContact CG1-CG 4.21Å; K215-I217 HydrophobicContact CB-CG1 4.46Å
216Y93.1Very high89.8Confident85 Ų8562.8 Ų62.833%0.33329%0.292SS..EExtended strand (participates in β ladder)trans-109.9115.7170.5-65.2-97.1000107.6F209 F211 R214F209-Y216 PolarHBondContact N-O 2.81Å; F209-Y216 PolarHBondContact O-N 2.52Å; F211-Y216 HydrophobicContact CB-CE2 4.23Å; F211-Y216 AromaticContact CD2-CD2 3.65Å; F211-Y216 HydrophobicContact CD2-CD2 3.65Å; F211-Y216 AromaticContact CD2-CE2 3.94Å; F211-Y216 HydrophobicContact CD2-CE2 3.94Å; F211-Y216 HydrophobicContact CE2-CD2 4.4Å; R214-Y216 HydrophobicContact CB-CE2 4.07Å; R214-Y216 HydrophobicContact CG-CD2 4.46Å; R214-Y216 HydrophobicContact CG-CE2 3.97Å
217I94.9Very high88.4Confident86 Ų8663 Ų6344%0.44129%0.292SS..EExtended strand (participates in β ladder)trans-106.9118.3-169.2-55.1-179.4000109.2P206 I207 E208 K215 L219P206-I217 HydrophobicContact CB-CG2 3.63Å; I207-I217 WeakPolarHBondContact O-CA 3.49Å; E208-I217 HydrophobicContact CG-CG1 4.31Å; K215-I217 HydrophobicContact CB-CG1 4.46Å; I217-L219 HydrophobicContact CG2-CD2 4.37Å
218L93.2Very high86.6Confident25 Ų2569.9 Ų69.913%0.13133%0.329CS..EExtended strand (participates in β ladder)trans-92.5121.9168.1-61.4-171.1000109.6I170 P206 I207 F209 H222 Y223I170-L218 HydrophobicContact CD1-CD1 3.78Å; P206-L218 CarbonylContact C-O 3.54Å; P206-L218 VanDerWaalsContact CA-O 3.29Å; P206-L218 WeakPolarHBondContact CA-O 3.31Å; I207-L218 HydrophobicContact CB-CB 4.44Å; I207-L218 PolarHBondContact N-O 3.49Å; I207-L218 PolarHBondContact O-N 3.14Å; F209-L218 HydrophobicContact CD2-CD1 4.42Å; F209-L218 HydrophobicContact CD2-CG 4.24Å; F209-L218 HydrophobicContact CE2-CB 4.42Å; F209-L218 HydrophobicContact CE2-CD1 3.55Å; F209-L218 HydrophobicContact CE2-CG 3.76Å; F209-L218 HydrophobicContact CZ-CD1 4.09Å; L218-H222 HydrophobicContact CB-CB 4.26Å; L218-H222 HydrophobicContact CD2-CB 4.14Å; L218-Y223 HydrophobicContact CB-CD1 4.03Å
219L93.3Very high84.2Confident73 Ų7377.9 Ų77.938%0.38237%0.366SS..  trans-80.9160.5171.6-59.7178.3000110P206 I217 Q221 H222 Y223P206-L219 HydrophobicContact CB-CD2 4.42Å; I217-L219 HydrophobicContact CG2-CD2 4.37Å; L219-Q221 VanDerWaalsContact CB-CD 3.46Å; L219-Q221 PolarHBondContact O-N 3.16Å; L219-Q221 VanDerWaalsContact O-N 3.11Å; L219-H222 PolarHBondContact N-ND1 3.17Å; L219-H222 WeakPolarHBondContact O-CB 3.1Å; L219-H222 PolarHBondContact O-N 3.2Å; L219-Y223 WeakPolarHBondContact O-CD1 3.33Å
220P90.5Very high81.5Confident13 Ų1381 Ų818%0.08439%0.389CS..Hα-helixtrans-49-39.6-178-31.237.9000115.6I201 L204 H222 Y223 V224I201-P220 HydrophobicContact CG2-CB 3.89Å; I201-P220 WeakPolarHBondContact O-CB 3.44Å; I201-P220 WeakPolarHBondContact O-CG 3.37Å; L204-P220 HydrophobicContact CB-CB 4.07Å; L204-P220 HydrophobicContact CB-CG 3.9Å; L204-P220 HydrophobicContact CD1-CB 4.41Å; L204-P220 WeakPolarHBondContact O-CG 3.4Å; P220-H222 PolarHBondContact O-N 3.24Å; P220-Y223 VanDerWaalsContact CA-CE1 3.42Å; P220-Y223 VanDerWaalsContact CA-CZ 3.46Å; P220-Y223 HydrophobicContact CB-CE1 4.41Å; P220-Y223 HydrophobicContact CG-CE1 4.38Å; P220-Y223 PolarHBondContact O-N 3.06Å; P220-V224 WeakPolarHBondContact O-CB 3.3Å; P220-V224 WeakPolarHBondContact O-CG2 3.41Å; P220-V224 PolarHBondContact O-N 3.19Å
221Q85.4Confident79Confident109 Ų10981.2 Ų81.251%0.50939%0.39SS..Hα-helixtrans-66.3-19.9177.568.8-85.119.100114.3L219L219-Q221 VanDerWaalsContact CB-CD 3.46Å; L219-Q221 PolarHBondContact O-N 3.16Å; L219-Q221 VanDerWaalsContact O-N 3.11Å
222H86.6Confident76.5Confident51 Ų5181.8 Ų81.824%0.23639%0.394CS..Hα-helixtrans-84.9-31.3179.4-56.4155.9000112.2L218 L219 P220L218-H222 HydrophobicContact CB-CB 4.26Å; L218-H222 HydrophobicContact CD2-CB 4.14Å; L219-H222 PolarHBondContact N-ND1 3.17Å; L219-H222 WeakPolarHBondContact O-CB 3.1Å; L219-H222 PolarHBondContact O-N 3.2Å; P220-H222 PolarHBondContact O-N 3.24Å
223Y85.8Confident74.2Confident8 Ų878.3 Ų78.33%0.03138%0.38CS..Hα-helixtrans-108.2-4.1-175.864.1-109.5000114.4L184 L204 P205 I207 L218 L219 P220L184-Y223 HydrophobicContact CD1-CE2 4.29Å; L204-Y223 HydrophobicContact CB-CE2 4.46Å; L204-Y223 WeakPolarHBondContact CB-OH 3.36Å; L204-Y223 HydrophobicContact CD1-CE2 3.77Å; P205-Y223 WeakPolarHBondContact O-CE1 3.31Å; P205-Y223 PolarHBondContact O-OH 3.46Å; I207-Y223 HydrophobicContact CD1-CD1 3.74Å; I207-Y223 HydrophobicContact CD1-CD2 4.23Å; I207-Y223 HydrophobicContact CD1-CE1 3.93Å; I207-Y223 HydrophobicContact CD1-CE2 4.44Å; I207-Y223 HydrophobicContact CD1-CG 3.89Å; I207-Y223 HydrophobicContact CG1-CD1 3.94Å; I207-Y223 HydrophobicContact CG1-CE1 3.75Å; L218-Y223 HydrophobicContact CB-CD1 4.03Å; L219-Y223 WeakPolarHBondContact O-CD1 3.33Å; P220-Y223 VanDerWaalsContact CA-CE1 3.42Å; P220-Y223 VanDerWaalsContact CA-CZ 3.46Å; P220-Y223 HydrophobicContact CB-CE1 4.41Å; P220-Y223 HydrophobicContact CG-CE1 4.38Å; P220-Y223 PolarHBondContact O-N 3.06Å
224V83.6Confident71.7Confident17 Ų1770.8 Ų70.810%0.10335%0.349CS..  trans-110.8123.1172.5-178.20000110.3L196 I201 L204 P220L196-V224 HydrophobicContact CD2-CG2 4.34Å; I201-V224 HydrophobicContact CD1-CG1 3.9Å; I201-V224 HydrophobicContact CG1-CG1 4.04Å; L204-V224 HydrophobicContact CD1-CG2 3.59Å; P220-V224 WeakPolarHBondContact O-CB 3.3Å; P220-V224 WeakPolarHBondContact O-CG2 3.41Å; P220-V224 PolarHBondContact O-N 3.19Å
225V76.9Confident69.1Low30 Ų3070.1 Ų70.118%0.18235%0.347CS..  trans-95.9125175.7-174.10000110.9V227 M237V225-V227 HydrophobicContact CG1-CG2 4.1Å; V225-M237 HydrophobicContact CG2-CB 4.31Å; V225-M237 HydrophobicContact CG2-CE 3.99Å; V225-M237 HydrophobicContact CG2-CG 3.6Å; V225-M237 HydrophobicContact CG2-SD 4.29Å
226K73.3Confident66.3Low145 Ų14566.1 Ų66.163%0.6333%0.331SS*.  trans-85.8120.2170.2-66.3-179179.5175.30109.4I201I201-K226 HydrophobicContact CD1-CD 4.37Å; I201-K226 HydrophobicContact CD1-CG 4.18Å
227V65.8Low63.3Low57 Ų5765.9 Ų65.935%0.34533%0.334SS..  trans-115.1132.4171.1-172.80000107.4V225 E229 S230 L232V225-V227 HydrophobicContact CG1-CG2 4.1Å; V227-E229 PolarHBondContact O-N 3.19Å; V227-S230 CarbonylContact O-C 3.58Å; V227-S230 PolarHBondContact O-N 3.36Å; V227-L232 HydrophobicContact CB-CD1 4.28Å; V227-L232 HydrophobicContact CB-CG 4.49Å; V227-L232 HydrophobicContact CG1-CD1 4.16Å; V227-L232 HydrophobicContact CG2-CB 4.33Å; V227-L232 HydrophobicContact CG2-CD1 4.37Å
228N57Low60.4Low149 Ų14964.2 Ų64.280%0.79733%0.326SS*.THydrogen-bonded Turntrans-18.8114.9-178-64.8-14.6000115.7S230N228-S230 PolarHBondContact O-N 3.06Å; N228-S230 PolarHBondContact O-OG 3.41Å
229E44.4Very low57.4Low215 Ų21564.2 Ų64.2100%1.00533%0.33SS*.THydrogen-bonded Turntrans40.17.9174.6-67.2-171.7169.400118.5V227V227-E229 PolarHBondContact O-N 3.19Å
230S38.5Very low54.6Low76 Ų7661.7 Ų61.753%0.53132%0.316SS..SBendtrans-152.2107.2-177.9530000108.2V227 N228 L232V227-S230 CarbonylContact O-C 3.58Å; V227-S230 PolarHBondContact O-N 3.36Å; N228-S230 PolarHBondContact O-N 3.06Å; N228-S230 PolarHBondContact O-OG 3.41Å; S230-L232 PolarHBondContact O-N 2.8Å
231I42.2Very low51.9Low33 Ų3364.1 Ų64.117%0.16933%0.326CS..  trans-78.3117.6-168.2-59.5151.7000108.5V195 L196 C198V195-I231 WeakPolarHBondContact CB-O 3.37Å; V195-I231 WeakPolarHBondContact CG1-O 3.2Å; L196-I231 VanDerWaalsContact O-CB 3.27Å; L196-I231 WeakPolarHBondContact O-CB 3.26Å; L196-I231 WeakPolarHBondContact O-CD1 3.4Å; L196-I231 WeakPolarHBondContact O-CG2 3.46Å; C198-I231 HydrophobicContact CB-CD1 3.37Å; C198-I231 HydrophobicContact CB-CG1 4.24Å; C198-I231 WeakPolarHBondContact SG-CD1 3.14Å; C198-I231 WeakPolarHBondContact SG-CG1 3.34Å
232L41.7Very low49.4Very low23 Ų2359.1 Ų59.112%0.1230%0.303CS..  trans-103101169.1-56.7172.4000106.2R193 N194 V227 S230 D234R193-L232 HydrophobicContact CB-CD2 4.16Å; R193-L232 HydrophobicContact CG-CD2 4.32Å; N194-L232 CarbonylContact O-C 3.59Å; V227-L232 HydrophobicContact CB-CD1 4.28Å; V227-L232 HydrophobicContact CB-CG 4.49Å; V227-L232 HydrophobicContact CG1-CD1 4.16Å; V227-L232 HydrophobicContact CG2-CB 4.33Å; V227-L232 HydrophobicContact CG2-CD1 4.37Å; S230-L232 PolarHBondContact O-N 2.8Å; L232-D234 PolarHBondContact O-N 2.9Å
233S41.7Very low46.7Very low18 Ų1859.2 Ų59.213%0.12631%0.307CS..  trans-8850.4166.585.90000110.9V186 N194 V195 Y235V186-S233 WeakPolarHBondContact CG1-OG 3.19Å; N194-S233 WeakPolarHBondContact CB-O 3.33Å; N194-S233 CarbonylContact O-C 3.15Å; N194-S233 VanDerWaalsContact O-CA 3.24Å; N194-S233 WeakPolarHBondContact O-CA 3.38Å; N194-S233 PolarHBondContact O-N 2.88Å; N194-S233 PolarHBondContact O-OG 2.95Å; V195-S233 PolarHBondContact N-OG 3.48Å; S233-Y235 PolarHBondContact O-N 3.23Å
234D33.3Very low44.1Very low48 Ų4862.8 Ų62.826%0.25732%0.323SS..  trans-88.823.2165.6-98-2.5000112R193 N194 L232R193-D234 VanDerWaalsContact CA-OD2 3.25Å; R193-D234 WeakPolarHBondContact CA-OD2 3.37Å; R193-D234 VanDerWaalsContact CB-OD2 3.27Å; R193-D234 WeakPolarHBondContact CB-OD2 3.41Å; R193-D234 WeakPolarHBondContact CG-OD2 3.23Å; N194-D234 WeakPolarHBondContact CB-OD1 3.3Å; N194-D234 PolarHBondContact N-OD1 2.82Å; N194-D234 PolarHBondContact ND2-OD1 3.06Å; N194-D234 VanDerWaalsContact ND2-OD1 3.08Å; L232-D234 PolarHBondContact O-N 2.9Å
235Y36.3Very low42.1Very low93 Ų9365.1 Ų65.137%0.36533%0.334SS..  trans-152.5111.3-171.5-52.6-88.6000110.8V169 S233V169-Y235 HydrophobicContact CG1-CD1 3.14Å; V169-Y235 HydrophobicContact CG1-CE1 3.99Å; V169-Y235 HydrophobicContact CG1-CG 3.8Å; S233-Y235 PolarHBondContact O-N 3.23Å
236I34.1Very low40.3Very low34 Ų3466.9 Ų66.917%0.17434%0.342CS..  trans-86103.2157-63172.1000106V169 I170V169-I236 CarbonylContact C-O 3.56Å; V169-I236 VanDerWaalsContact C-O 3.29Å; V169-I236 WeakPolarHBondContact CA-O 3.32Å; I170-I236 HydrophobicContact CB-CB 3.68Å; I170-I236 HydrophobicContact CB-CD1 4.22Å; I170-I236 HydrophobicContact CB-CG2 3.43Å; I170-I236 VanDerWaalsContact CB-CG2 3.43Å; I170-I236 HydrophobicContact CD1-CG2 3.38Å; I170-I236 HydrophobicContact CG1-CB 4.1Å; I170-I236 HydrophobicContact CG1-CG2 3.41Å; I170-I236 VanDerWaalsContact CG1-CG2 3.41Å; I170-I236 HydrophobicContact CG2-CG2 4.42Å; I170-I236 PolarHBondContact N-O 3.12Å
237M30.3Very low38.4Very low80 Ų8062.6 Ų62.639%0.39433%0.326SS..  trans-75.5156.8177.6-81.1-149.3-60.800113.2S168 V225S168-M237 WeakPolarHBondContact O-CG 3.05Å; V225-M237 HydrophobicContact CG2-CB 4.31Å; V225-M237 HydrophobicContact CG2-CE 3.99Å; V225-M237 HydrophobicContact CG2-CG 3.6Å; V225-M237 HydrophobicContact CG2-SD 4.29Å
238N33.5Very low36.8Very low51 Ų5162.9 Ų62.927%0.27333%0.325SS..SBendtrans103.1132-175.2-58.4-45.3000113.9Q106 I170 L240Q106-N238 PolarHBondContact NE2-ND2 3.36Å; Q106-N238 PolarHBondContact NE2-OD1 3.35Å; I170-N238 VanDerWaalsContact CG1-O 3.23Å; I170-N238 WeakPolarHBondContact CG1-O 3.45Å; N238-L240 PolarHBondContact O-N 2.91Å
239A31.6Very low35.6Very low25 Ų2557.6 Ų57.621%0.20730%0.295CS..SBendtrans-65.653.8-160.700000116.5L104 D164L104-A239 HydrophobicContact CD1-CB 4.33Å; D164-A239 PolarHBondContact N-O 3.2Å; D164-A239 VanDerWaalsContact N-O 3.09Å; D164-A239 WeakPolarHBondContact O-CB 2.95Å
240L33.2Very low35Very low20 Ų2047.1 Ų47.111%0.10525%0.248CC..EExtended strand (participates in β ladder)trans-126.1102.3179.2-162.881.1000110.8A161 T162 I163 I170 F209 F211 N238 I242A161-L240 HydrophobicContact CB-CD1 4.06Å; A161-L240 HydrophobicContact CB-CD2 4.22Å; A161-L240 HydrophobicContact CB-CG 4.17Å; T162-L240 CarbonylContact O-C 3.59Å; I163-L240 HydrophobicContact CD1-CD1 3.13Å; I163-L240 HydrophobicContact CG1-CD1 4.49Å; I170-L240 VanDerWaalsContact CA-O 3.25Å; I170-L240 WeakPolarHBondContact CA-O 3.32Å; I170-L240 HydrophobicContact CD1-CB 4.3Å; I170-L240 HydrophobicContact CG1-CB 4.26Å; I170-L240 WeakPolarHBondContact CG1-O 3.39Å; I170-L240 WeakPolarHBondContact CG2-O 3.46Å; F209-L240 HydrophobicContact CD1-CD2 3.51Å; F209-L240 HydrophobicContact CE1-CD2 3.61Å; F209-L240 HydrophobicContact CG-CD2 4.44Å; F211-L240 HydrophobicContact CZ-CD1 4.13Å; F211-L240 HydrophobicContact CZ-CD2 4.02Å; N238-L240 PolarHBondContact O-N 2.91Å; L240-I242 HydrophobicContact CD2-CD1 4.23Å; L240-I242 HydrophobicContact CD2-CG1 3.8Å; L240-I242 HydrophobicContact CG-CG1 4.24Å; L240-I242 PolarHBondContact O-N 2.9Å
241F35.1Very low34.7Very low64 Ų6445 Ų4528%0.28123%0.227SC..EExtended strand (participates in β ladder)trans-80.4104.5166.6-171.8-99.4000108.5T162 D164 L171 T243T162-F241 CarbonylContact C-O 3.56Å; T162-F241 WeakPolarHBondContact CA-O 3.3Å; T162-F241 WeakPolarHBondContact CB-O 3.3Å; T162-F241 PolarHBondContact N-O 3.18Å; T162-F241 CarbonylContact O-C 3.4Å; T162-F241 WeakPolarHBondContact O-CA 3.39Å; T162-F241 PolarHBondContact O-N 2.98Å; D164-F241 HydrophobicContact CB-CB 4.15Å; L171-F241 HydrophobicContact CB-CD2 3.55Å; L171-F241 HydrophobicContact CB-CE2 3.59Å; L171-F241 HydrophobicContact CB-CG 4.42Å; L171-F241 HydrophobicContact CB-CZ 4.49Å; L171-F241 HydrophobicContact CD1-CD2 3.57Å; L171-F241 HydrophobicContact CD1-CE2 3.29Å; L171-F241 HydrophobicContact CG-CD2 3.97Å; L171-F241 HydrophobicContact CG-CE2 3.98Å; F241-T243 HydrophobicContact CD1-CG2 3.57Å; F241-T243 HydrophobicContact CE1-CG2 3.15Å; F241-T243 HydrophobicContact CZ-CG2 4.19Å; F241-T243 PolarHBondContact O-N 3.4Å
242I32.6Very low34.2Very low5 Ų545.9 Ų45.93%0.02623%0.232CC..EExtended strand (participates in β ladder)trans-82113.8172-55.5167.8000108.1M145 L148 A161 I170 L171 G172 F209 L240 F244M145-I242 HydrophobicContact CE-CD1 3.81Å; M145-I242 HydrophobicContact CE-CG1 4.25Å; M145-I242 HydrophobicContact CE-CG2 4.04Å; L148-I242 HydrophobicContact CD2-CD1 4.3Å; A161-I242 HydrophobicContact CB-CG1 4.27Å; I170-I242 HydrophobicContact CG2-CD1 3.89Å; I170-I242 HydrophobicContact CG2-CG1 4.13Å; L171-I242 CarbonylContact C-O 3.51Å; L171-I242 CarbonylContact O-C 3.6Å; L171-I242 WeakPolarHBondContact O-CA 3.47Å; L171-I242 VanDerWaalsContact O-CB 3.29Å; L171-I242 WeakPolarHBondContact O-CB 3.36Å; L171-I242 PolarHBondContact O-N 3.44Å; G172-I242 WeakPolarHBondContact CA-O 3.29Å; F209-I242 HydrophobicContact CD1-CD1 4.06Å; F209-I242 HydrophobicContact CE1-CD1 3.48Å; F209-I242 VanDerWaalsContact CE1-CD1 3.48Å; F209-I242 HydrophobicContact CE1-CG1 4.41Å; L240-I242 HydrophobicContact CD2-CD1 4.23Å; L240-I242 HydrophobicContact CD2-CG1 3.8Å; L240-I242 HydrophobicContact CG-CG1 4.24Å; L240-I242 PolarHBondContact O-N 2.9Å; I242-F244 HydrophobicContact CB-CE2 4.46Å; I242-F244 HydrophobicContact CB-CZ 4.43Å; I242-F244 HydrophobicContact CG2-CD1 4.06Å; I242-F244 HydrophobicContact CG2-CD2 4.13Å; I242-F244 HydrophobicContact CG2-CE1 3.71Å; I242-F244 HydrophobicContact CG2-CE2 3.87Å; I242-F244 HydrophobicContact CG2-CG 4.26Å; I242-F244 HydrophobicContact CG2-CZ 3.65Å
243T29.5Very low33.5Very low53 Ų5347.8 Ų47.833%0.32524%0.241SC..EExtended strand (participates in β ladder)trans-97.3107.3161.939.30000108.2T160 F241T160-T243 CarbonylContact C-O 3.49Å; T160-T243 CarbonylContact O-C 3.59Å; T160-T243 PolarHBondContact O-N 3.23Å; F241-T243 HydrophobicContact CD1-CG2 3.57Å; F241-T243 HydrophobicContact CE1-CG2 3.15Å; F241-T243 HydrophobicContact CZ-CG2 4.19Å; F241-T243 PolarHBondContact O-N 3.4Å
244F31.3Very low32.8Very low83 Ų8350.5 Ų50.536%0.36425%0.252SS..  trans-71.70160.4-43.1-91.7000109.4L148 C156 C159 E173 Q176 I242L148-F244 HydrophobicContact CD2-CZ 4.48Å; C156-F244 HydrophobicContact CB-CD1 3.85Å; C156-F244 HydrophobicContact CB-CE1 3.44Å; C156-F244 VanDerWaalsContact CB-CE1 3.44Å; C159-F244 HydrophobicContact CB-CD1 3.7Å; C159-F244 HydrophobicContact CB-CE1 4.35Å; E173-F244 HydrophobicContact CB-CB 4.29Å; E173-F244 HydrophobicContact CB-CD2 3.48Å; E173-F244 VanDerWaalsContact CB-CD2 3.48Å; E173-F244 HydrophobicContact CB-CE2 4.14Å; E173-F244 HydrophobicContact CB-CG 4.22Å; E173-F244 VanDerWaalsContact CD-CB 3.49Å; E173-F244 HydrophobicContact CG-CB 3.69Å; E173-F244 HydrophobicContact CG-CD2 3.74Å; E173-F244 HydrophobicContact CG-CG 4.15Å; Q176-F244 HydrophobicContact CB-CE2 3.9Å; Q176-F244 HydrophobicContact CB-CZ 3.97Å; Q176-F244 HydrophobicContact CG-CD2 4.42Å; Q176-F244 HydrophobicContact CG-CE1 4.36Å; Q176-F244 HydrophobicContact CG-CE2 4.1Å; Q176-F244 HydrophobicContact CG-CZ 4.07Å; I242-F244 HydrophobicContact CB-CE2 4.46Å; I242-F244 HydrophobicContact CB-CZ 4.43Å; I242-F244 HydrophobicContact CG2-CD1 4.06Å; I242-F244 HydrophobicContact CG2-CD2 4.13Å; I242-F244 HydrophobicContact CG2-CE1 3.71Å; I242-F244 HydrophobicContact CG2-CE2 3.87Å; I242-F244 HydrophobicContact CG2-CG 4.26Å; I242-F244 HydrophobicContact CG2-CZ 3.65Å

Retrieved 244 of 244 residues in 410.2 ms (Link to these results)

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