C4QP69_SCHMA Loading...

Small ribosomal subunit protein RACK1

AlphaFold DB , UniProt , Accession C4QP69, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 302 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
1M27.7Very low38.3Very low227 Ų22754.3 Ų54.3100%1.11828%0.279SS*.  0128.20-69.1-175.2-126.100107P3M1-P3 WeakPolarHBondContact O-CD 3.46Å
2L32.3Very low38.2Very low28 Ų2860.3 Ų60.315%0.14731%0.311CS..  trans-65.4121.6168.7-90137.9000106.1S4 L96 W137 W157L2-S4 PolarHBondContact O-N 3.43Å; L2-S4 VanDerWaalsContact O-N 3.12Å; L2-L96 HydrophobicContact CD1-CD1 4.26Å; L2-L96 HydrophobicContact CD1-CD2 4.34Å; L2-W137 HydrophobicContact CD1-CZ3 4.45Å; L2-W157 HydrophobicContact CD1-CZ2 4.15Å; L2-W157 HydrophobicContact CG-CZ2 4.2Å
3P32.6Very low38.4Very low66 Ų6664.9 Ų64.943%0.42933%0.33SS..  trans-57.4122.6176.522.2-30.6000108M1 R5M1-P3 WeakPolarHBondContact O-CD 3.46Å; P3-R5 WeakPolarHBondContact O-CG 3.08Å; P3-R5 PolarHBondContact O-N 3.46Å
4S36.4Very low38.7Very low65 Ų6563.1 Ų63.146%0.45532%0.324SS..  trans-9.8105.7148.4-63.50000112.9L2L2-S4 PolarHBondContact O-N 3.43Å; L2-S4 VanDerWaalsContact O-N 3.12Å
5R34.3Very low39.5Very low38 Ų3859.2 Ų59.214%0.14330%0.304CS..  trans-105.1121.2179.5-60.4-159.9-167.4-156.85.8108.3P3 F7 T18 V20 N183 N224P3-R5 WeakPolarHBondContact O-CG 3.08Å; P3-R5 PolarHBondContact O-N 3.46Å; R5-F7 HydrophobicContact CB-CD2 4.23Å; R5-F7 HydrophobicContact CB-CE1 3.91Å; R5-F7 HydrophobicContact CB-CE2 3.47Å; R5-F7 VanDerWaalsContact CB-CE2 3.47Å; R5-F7 HydrophobicContact CB-CZ 3.25Å; R5-F7 HydrophobicContact CG-CE1 4.48Å; R5-F7 HydrophobicContact CG-CE2 4.49Å; R5-F7 HydrophobicContact CG-CZ 3.89Å; R5-F7 WeakPolarHBondContact O-CE2 3.46Å; R5-T18 PolarHBondContact O-OG1 2.74Å; R5-V20 WeakPolarHBondContact O-CG2 3.14Å; R5-N183 PolarHBondContact NH2-O 2.97Å; R5-N183 VanDerWaalsContact NH2-O 3.14Å; R5-N224 PolarHBondContact NH1-O 3.07Å
6I39.3Very low39.9Very low9 Ų955.5 Ų55.55%0.04629%0.285CS..  trans-62.8139.6149.5-67.5169000104.5L8 T17 V20 C277 F291 I296I6-L8 HydrophobicContact CG2-CD1 4.35Å; I6-L8 HydrophobicContact CG2-CG 4.33Å; I6-T17 HydrophobicContact CG2-CG2 3.92Å; I6-V20 HydrophobicContact CG1-CG2 4.01Å; I6-C277 VanDerWaalsContact C-SG 3.59Å; I6-C277 WeakPolarHBondContact O-CB 3.35Å; I6-C277 PolarHBondContact O-SG 2.92Å; I6-F291 WeakPolarHBondContact CD1-O 3.46Å; I6-I296 HydrophobicContact CG2-CG1 4.3Å
7F43.8Very low40.5Very low12 Ų1252.6 Ų52.65%0.05327%0.27CS..  trans-106.7151.6165.9-73-72.1000107.6R5 F9 L16 T17 T18 S54 D55 V56R5-F7 HydrophobicContact CB-CD2 4.23Å; R5-F7 HydrophobicContact CB-CE1 3.91Å; R5-F7 HydrophobicContact CB-CE2 3.47Å; R5-F7 VanDerWaalsContact CB-CE2 3.47Å; R5-F7 HydrophobicContact CB-CZ 3.25Å; R5-F7 HydrophobicContact CG-CE1 4.48Å; R5-F7 HydrophobicContact CG-CE2 4.49Å; R5-F7 HydrophobicContact CG-CZ 3.89Å; R5-F7 WeakPolarHBondContact O-CE2 3.46Å; F7-F9 HydrophobicContact CB-CD2 4.02Å; F7-F9 HydrophobicContact CB-CE2 3.73Å; F7-F9 AromaticContact CD1-CE2 3.82Å; F7-F9 HydrophobicContact CD1-CE2 3.82Å; F7-F9 HydrophobicContact CD1-CZ 4.46Å; F7-F9 HydrophobicContact CG-CE2 4.14Å; F7-L16 CarbonylContact C-O 3.54Å; F7-L16 VanDerWaalsContact C-O 3.26Å; F7-T17 VanDerWaalsContact O-CA 3.3Å; F7-T17 WeakPolarHBondContact O-CA 3.2Å; F7-T18 HydrophobicContact CD2-CG2 4.11Å; F7-T18 WeakPolarHBondContact CD2-OG1 3.44Å; F7-S54 WeakPolarHBondContact CE2-O 3.32Å; F7-S54 WeakPolarHBondContact CZ-O 3.12Å; F7-D55 VanDerWaalsContact CD1-OD1 3.31Å; F7-D55 WeakPolarHBondContact CD1-OD1 3.42Å; F7-D55 HydrophobicContact CE1-CB 4.22Å; F7-D55 WeakPolarHBondContact CE1-OD1 3.33Å; F7-D55 HydrophobicContact CZ-CB 4.26Å; F7-V56 HydrophobicContact CB-CG1 3.32Å; F7-V56 HydrophobicContact CD2-CG1 4.43Å; F7-V56 HydrophobicContact CG-CG1 4.05Å
8L45.1Very low40.8Very low2 Ų249.9 Ų49.91%0.0126%0.256CS..  trans-136.8118.4177.5-83.6143.3000104.9I6 F15 A279 F288 G290 I296I6-L8 HydrophobicContact CG2-CD1 4.35Å; I6-L8 HydrophobicContact CG2-CG 4.33Å; L8-F15 HydrophobicContact CB-CD1 4.16Å; L8-F15 HydrophobicContact CB-CE1 4.34Å; L8-F15 HydrophobicContact CD2-CD1 3.49Å; L8-F15 VanDerWaalsContact CD2-CD1 3.49Å; L8-F15 HydrophobicContact CD2-CE1 3.82Å; L8-F15 HydrophobicContact CD2-CG 4.03Å; L8-F15 HydrophobicContact CG-CD1 4.44Å; L8-A279 HydrophobicContact CB-CB 3.54Å; L8-A279 WeakPolarHBondContact O-CB 3.45Å; L8-F288 HydrophobicContact CD1-CB 4.08Å; L8-F288 HydrophobicContact CD2-CB 3.83Å; L8-F288 HydrophobicContact CD2-CG 4.46Å; L8-F288 HydrophobicContact CG-CB 4.44Å; L8-G290 VanDerWaalsContact CD1-N 3.31Å; L8-I296 HydrophobicContact CD1-CG1 4.46Å; L8-I296 HydrophobicContact CD1-CG2 4.12Å; L8-I296 HydrophobicContact CD2-CD1 3.91Å; L8-I296 HydrophobicContact CD2-CG1 4.26Å; L8-I296 HydrophobicContact CD2-CG2 3.85Å
9F46.5Very low40.7Very low48 Ų4851.3 Ų51.321%0.21126%0.262CS..  trans-140.4130.6176.8-70-89.9000108.6F7 F15 L16 V56 V57F7-F9 HydrophobicContact CB-CD2 4.02Å; F7-F9 HydrophobicContact CB-CE2 3.73Å; F7-F9 AromaticContact CD1-CE2 3.82Å; F7-F9 HydrophobicContact CD1-CE2 3.82Å; F7-F9 HydrophobicContact CD1-CZ 4.46Å; F7-F9 HydrophobicContact CG-CE2 4.14Å; F9-F15 WeakPolarHBondContact O-CA 3.43Å; F9-L16 PolarHBondContact O-N 3.43Å; F9-V56 HydrophobicContact CD2-CG1 4.02Å; F9-V56 WeakPolarHBondContact CD2-O 3.45Å; F9-V56 HydrophobicContact CE2-CG1 4.39Å; F9-V56 WeakPolarHBondContact CE2-O 3.42Å; F9-V56 WeakPolarHBondContact CG-O 3.49Å; F9-V56 WeakPolarHBondContact CZ-O 3.44Å; F9-V57 HydrophobicContact CD1-CB 4.32Å; F9-V57 HydrophobicContact CD1-CG1 4.04Å; F9-V57 HydrophobicContact CE1-CB 4.48Å; F9-V57 HydrophobicContact CE1-CG1 3.71Å; F9-V57 HydrophobicContact CZ-CG1 4.02Å
10R45.1Very low40.8Very low51 Ų5149.6 Ų49.619%0.19225%0.254CS..EExtended strand (participates in β ladder)trans-130.8146.4-174.4-168.6-169.8178.9-157.611.3113L12 V14 F15 L32R10-L12 PolarHBondContact NE-O 2.83Å; R10-L12 PolarHBondContact NH2-O 3.18Å; R10-V14 WeakPolarHBondContact CA-O 3.12Å; R10-V14 WeakPolarHBondContact CG-O 3.17Å; R10-F15 HydrophobicContact CB-CD1 4.07Å; R10-F15 HydrophobicContact CB-CE1 3.6Å; R10-F15 HydrophobicContact CB-CZ 3.83Å; R10-F15 HydrophobicContact CG-CE1 4.3Å; R10-F15 HydrophobicContact CG-CE2 4.4Å; R10-F15 HydrophobicContact CG-CZ 4.06Å; R10-L32 HydrophobicContact CG-CD1 4.3Å
11L38.7Very low40.5Very low51 Ų5154.6 Ų54.627%0.26728%0.276SS..EExtended strand (participates in β ladder)trans-140.2135.1149-103.5130000105.9E13 V14 M58 S59 S60L11-E13 PolarHBondContact O-N 3.15Å; L11-V14 PolarHBondContact O-N 3.36Å; L11-M58 HydrophobicContact CB-CE 3.87Å; L11-S59 WeakPolarHBondContact CD1-O 3.08Å; L11-S60 VanDerWaalsContact CD1-CA 3.49Å; L11-S60 VanDerWaalsContact CD1-O 3.31Å; L11-S60 WeakPolarHBondContact CD1-O 3.33Å; L11-S60 WeakPolarHBondContact CD2-O 3.29Å
12L36.3Very low40.9Very low126 Ų12648.4 Ų48.466%0.6625%0.247SC*.THydrogen-bonded Turntrans57.5-83.7176.1-72.7147.9000115.7R10R10-L12 PolarHBondContact NE-O 2.83Å; R10-L12 PolarHBondContact NH2-O 3.18Å
13E41Very low41.4Very low121 Ų12152.3 Ų52.357%0.56528%0.276SS*.THydrogen-bonded Turntrans-134.42.8-168.9-68.4177.9172.500112.8L11 D31 L32L11-E13 PolarHBondContact O-N 3.15Å; E13-D31 CarbonylContact O-C 3.34Å; E13-D31 WeakPolarHBondContact O-CA 3.31Å; E13-L32 PolarHBondContact O-N 3.15Å
14V42.7Very low42.3Very low39 Ų3951.4 Ų51.424%0.23627%0.268CS..EExtended strand (participates in β ladder)trans-113.6132.6-172176.40000112.5R10 L11 V29 W30 M58R10-V14 WeakPolarHBondContact CA-O 3.12Å; R10-V14 WeakPolarHBondContact CG-O 3.17Å; L11-V14 PolarHBondContact O-N 3.36Å; V14-V29 HydrophobicContact CG1-CG1 3.27Å; V14-W30 CarbonylContact C-O 3.51Å; V14-W30 WeakPolarHBondContact CA-O 3.43Å; V14-M58 HydrophobicContact CB-CE 4.5Å; V14-M58 HydrophobicContact CG1-SD 4.43Å
15F50.9Low43.7Very low5 Ų552.7 Ų52.72%0.02227%0.265CS..EExtended strand (participates in β ladder)trans-110.6150.9162.4-77.6-78.8000112.4L8 F9 R10 V29 W30 L32 A279 F288L8-F15 HydrophobicContact CB-CD1 4.16Å; L8-F15 HydrophobicContact CB-CE1 4.34Å; L8-F15 HydrophobicContact CD2-CD1 3.49Å; L8-F15 VanDerWaalsContact CD2-CD1 3.49Å; L8-F15 HydrophobicContact CD2-CE1 3.82Å; L8-F15 HydrophobicContact CD2-CG 4.03Å; L8-F15 HydrophobicContact CG-CD1 4.44Å; F9-F15 WeakPolarHBondContact O-CA 3.43Å; R10-F15 HydrophobicContact CB-CD1 4.07Å; R10-F15 HydrophobicContact CB-CE1 3.6Å; R10-F15 HydrophobicContact CB-CZ 3.83Å; R10-F15 HydrophobicContact CG-CE1 4.3Å; R10-F15 HydrophobicContact CG-CE2 4.4Å; R10-F15 HydrophobicContact CG-CZ 4.06Å; F15-V29 CarbonylContact O-C 3.5Å; F15-V29 WeakPolarHBondContact O-CA 3.48Å; F15-W30 HydrophobicContact CB-CB 4.03Å; F15-W30 HydrophobicContact CB-CG 4.36Å; F15-W30 PolarHBondContact N-O 3.32Å; F15-W30 PolarHBondContact O-N 2.86Å; F15-L32 HydrophobicContact CD2-CD1 3.47Å; F15-L32 VanDerWaalsContact CD2-CD1 3.47Å; F15-L32 HydrophobicContact CD2-CD2 3.3Å; F15-L32 HydrophobicContact CD2-CG 3.38Å; F15-L32 HydrophobicContact CE2-CD1 3.03Å; F15-L32 HydrophobicContact CE2-CD2 3.26Å; F15-L32 HydrophobicContact CE2-CG 3.4Å; F15-L32 VanDerWaalsContact CE2-CG 3.4Å; F15-L32 HydrophobicContact CZ-CD1 3.98Å; F15-A279 HydrophobicContact CE1-CB 4.44Å; F15-F288 HydrophobicContact CD2-CE1 4.4Å; F15-F288 HydrophobicContact CE1-CB 4.32Å; F15-F288 HydrophobicContact CE1-CD1 4.29Å; F15-F288 AromaticContact CE1-CD2 3.97Å; F15-F288 HydrophobicContact CE1-CD2 3.97Å; F15-F288 HydrophobicContact CE1-CE2 4.38Å; F15-F288 AromaticContact CE1-CG 3.93Å; F15-F288 HydrophobicContact CE1-CG 3.93Å; F15-F288 AromaticContact CE2-CD1 3.66Å; F15-F288 HydrophobicContact CE2-CD1 3.66Å; F15-F288 HydrophobicContact CE2-CD2 4.09Å; F15-F288 AromaticContact CE2-CE1 3.37Å; F15-F288 HydrophobicContact CE2-CE1 3.37Å; F15-F288 AromaticContact CE2-CE2 3.83Å; F15-F288 HydrophobicContact CE2-CE2 3.83Å; F15-F288 HydrophobicContact CE2-CG 4.02Å; F15-F288 AromaticContact CE2-CZ 3.45Å; F15-F288 HydrophobicContact CE2-CZ 3.45Å; F15-F288 VanDerWaalsContact CE2-CZ 3.45Å; F15-F288 HydrophobicContact CZ-CB 4.29Å; F15-F288 AromaticContact CZ-CD1 3.58Å; F15-F288 HydrophobicContact CZ-CD1 3.58Å; F15-F288 AromaticContact CZ-CD2 3.28Å; F15-F288 HydrophobicContact CZ-CD2 3.28Å; F15-F288 AromaticContact CZ-CE1 3.61Å; F15-F288 HydrophobicContact CZ-CE1 3.61Å; F15-F288 AromaticContact CZ-CE2 3.32Å; F15-F288 HydrophobicContact CZ-CE2 3.32Å; F15-F288 AromaticContact CZ-CG 3.43Å; F15-F288 HydrophobicContact CZ-CG 3.43Å; F15-F288 VanDerWaalsContact CZ-CG 3.43Å; F15-F288 AromaticContact CZ-CZ 3.48Å; F15-F288 HydrophobicContact CZ-CZ 3.48Å; F15-F288 VanDerWaalsContact CZ-CZ 3.48Å
16L45.4Very low45.3Very low0 Ų051 Ų510%026%0.259CS..EExtended strand (participates in β ladder)trans-114.4122.5166.9-70.3158.6000109.1F7 F9 L27 I28 V29 L46 V56 M58 A65 L79F7-L16 CarbonylContact C-O 3.54Å; F7-L16 VanDerWaalsContact C-O 3.26Å; F9-L16 PolarHBondContact O-N 3.43Å; L16-L27 HydrophobicContact CD2-CB 4.43Å; L16-I28 CarbonylContact C-O 3.45Å; L16-I28 WeakPolarHBondContact CA-O 3.37Å; L16-V29 HydrophobicContact CD2-CB 4.36Å; L16-V29 HydrophobicContact CD2-CG2 3.71Å; L16-L46 HydrophobicContact CD2-CD1 3.75Å; L16-V56 HydrophobicContact CB-CG1 4.16Å; L16-V56 HydrophobicContact CB-CG2 4.02Å; L16-V56 HydrophobicContact CD1-CG2 3.66Å; L16-V56 HydrophobicContact CG-CG2 4.38Å; L16-M58 HydrophobicContact CD1-CB 4.48Å; L16-A65 HydrophobicContact CD1-CB 3.44Å; L16-A65 VanDerWaalsContact CD1-CB 3.44Å; L16-A65 HydrophobicContact CD2-CB 4.38Å; L16-L79 HydrophobicContact CD1-CD2 4.49Å; L16-L79 HydrophobicContact CD2-CD2 4.16Å
17T51.1Low46.8Very low6 Ų650.6 Ų50.64%0.03726%0.257CS..EExtended strand (participates in β ladder)trans-113.5152.6168.467.30000111.2I6 F7 L27 I28 W30 I296I6-T17 HydrophobicContact CG2-CG2 3.92Å; F7-T17 VanDerWaalsContact O-CA 3.3Å; F7-T17 WeakPolarHBondContact O-CA 3.2Å; T17-L27 CarbonylContact O-C 3.58Å; T17-L27 VanDerWaalsContact O-CA 3.29Å; T17-L27 WeakPolarHBondContact O-CA 3.49Å; T17-I28 PolarHBondContact N-O 2.91Å; T17-I28 PolarHBondContact O-N 2.79Å; T17-W30 VanDerWaalsContact CG2-NE1 3.27Å; T17-W30 PolarHBondContact OG1-NE1 2.85Å; T17-I296 HydrophobicContact CG2-CD1 3.35Å; T17-I296 HydrophobicContact CG2-CG1 4.27Å
18T45.5Very low48.3Very low4 Ų451.1 Ų51.13%0.02526%0.26CS..EExtended strand (participates in β ladder)trans-102.2129.6161.145.30000106.6R5 F7 V20 L27 V53R5-T18 PolarHBondContact O-OG1 2.74Å; F7-T18 HydrophobicContact CD2-CG2 4.11Å; F7-T18 WeakPolarHBondContact CD2-OG1 3.44Å; T18-V20 WeakPolarHBondContact O-CG2 3.43Å; T18-L27 HydrophobicContact CG2-CD2 3.3Å; T18-L27 HydrophobicContact CG2-CG 4.31Å; T18-V53 HydrophobicContact CG2-CB 3.54Å; T18-V53 HydrophobicContact CG2-CG1 3.53Å; T18-V53 HydrophobicContact CG2-CG2 4.48Å
19E38.2Very low49.7Very low76 Ų7651.3 Ų51.336%0.35526%0.262SS..  trans-82.2137168.5-164.7169-168.300108.4I28E19-I28 HydrophobicContact CB-CD1 4.29Å
20V43.5Very low51Low17 Ų1752 Ų5210%0.10326%0.263CS..  trans-12313.3-157-143.50000115.8R5 I6 T18R5-V20 WeakPolarHBondContact O-CG2 3.14Å; I6-V20 HydrophobicContact CG1-CG2 4.01Å; T18-V20 WeakPolarHBondContact O-CG2 3.43Å
21E33.9Very low52.4Low155 Ų15551.4 Ų51.472%0.72426%0.263SS*.SBendtrans-143.79.4175-133.1174.2-16700116.4
22I35.4Very low53.9Low98 Ų9850.1 Ų50.150%0.50326%0.257SS..SBendtrans-114.3154172.9-56.8175.5000105.8D24I22-D24 PolarHBondContact O-N 2.87Å
23S44.4Very low55.5Low109 Ų10949.4 Ų49.476%0.76225%0.245SC*.SBendtrans-47.5-1.2171.350.90000115.9K25S23-K25 PolarHBondContact O-N 3.08Å
24D50.9Low56.6Low48 Ų4851.7 Ų51.726%0.25725%0.249SC..  trans-72.8118175.5-159-4.5000111.2I22 S26I22-D24 PolarHBondContact O-N 2.87Å; D24-S26 VanDerWaalsContact C-N 3.28Å; D24-S26 WeakPolarHBondContact OD1-CB 3.41Å; D24-S26 PolarHBondContact OD1-N 3.36Å; D24-S26 PolarHBondContact OD1-OG 3.45Å; D24-S26 PolarHBondContact OD2-OG 2.82Å
25K65.7Low57.4Low92 Ų9256.7 Ų56.740%0.427%0.269SS..  trans-101.620.1-179-60158.1-177.2-172.40109.8S23 H49 N50S23-K25 PolarHBondContact O-N 3.08Å; K25-H49 WeakPolarHBondContact CB-O 3.36Å; K25-N50 WeakPolarHBondContact CE-O 3.49Å; K25-N50 PolarHBondContact NZ-O 2.99Å
26S68.3Low57.7Low2 Ų262.9 Ų62.91%0.01431%0.313CS..  trans-95.5165.6-172.178.80000112.8D24 S45 L46D24-S26 VanDerWaalsContact C-N 3.28Å; D24-S26 WeakPolarHBondContact OD1-CB 3.41Å; D24-S26 PolarHBondContact OD1-N 3.36Å; D24-S26 PolarHBondContact OD1-OG 3.45Å; D24-S26 PolarHBondContact OD2-OG 2.82Å; S26-S45 WeakPolarHBondContact CB-OG 3.23Å; S26-S45 PolarHBondContact OG-OG 3Å; S26-L46 VanDerWaalsContact CA-O 3.23Å; S26-L46 WeakPolarHBondContact CA-O 3.29Å; S26-L46 VanDerWaalsContact CB-O 3.3Å; S26-L46 WeakPolarHBondContact CB-O 3.31Å
27L70.1Confident58.4Low0 Ų066.3 Ų66.30%035%0.349CS..EExtended strand (participates in β ladder)trans-108.1132.5168.7-68.2153.3000108.6L16 T17 T18 S45 L46 V53 V56 Y77L16-L27 HydrophobicContact CD2-CB 4.43Å; T17-L27 CarbonylContact O-C 3.58Å; T17-L27 VanDerWaalsContact O-CA 3.29Å; T17-L27 WeakPolarHBondContact O-CA 3.49Å; T18-L27 HydrophobicContact CG2-CD2 3.3Å; T18-L27 HydrophobicContact CG2-CG 4.31Å; L27-S45 CarbonylContact O-C 3.44Å; L27-S45 VanDerWaalsContact O-CA 3.26Å; L27-S45 WeakPolarHBondContact O-CA 3.3Å; L27-L46 HydrophobicContact CB-CB 4.03Å; L27-L46 HydrophobicContact CB-CD1 4.06Å; L27-L46 HydrophobicContact CB-CG 4.2Å; L27-L46 HydrophobicContact CD1-CD1 4.26Å; L27-L46 PolarHBondContact N-O 2.73Å; L27-L46 PolarHBondContact O-N 2.83Å; L27-V53 HydrophobicContact CD2-CG1 3.99Å; L27-V53 HydrophobicContact CG-CG1 4.39Å; L27-V56 HydrophobicContact CD1-CG2 4.22Å; L27-V56 HydrophobicContact CD2-CB 3.65Å; L27-V56 HydrophobicContact CD2-CG1 3.68Å; L27-V56 HydrophobicContact CD2-CG2 3.83Å; L27-Y77 HydrophobicContact CD1-CD2 4.37Å; L27-Y77 HydrophobicContact CD1-CE2 3.73Å
28I75.8Confident58.9Low24 Ų2472.3 Ų72.312%0.12338%0.376CS..EExtended strand (participates in β ladder)trans-98.9123.5177.1-55.1173.1000108.5L16 T17 E19 W30 P42 R44L16-I28 CarbonylContact C-O 3.45Å; L16-I28 WeakPolarHBondContact CA-O 3.37Å; T17-I28 PolarHBondContact N-O 2.91Å; T17-I28 PolarHBondContact O-N 2.79Å; E19-I28 HydrophobicContact CB-CD1 4.29Å; I28-W30 HydrophobicContact CG2-CD2 4.41Å; I28-W30 HydrophobicContact CG2-CG 4.48Å; I28-W30 HydrophobicContact CG2-CZ2 4.17Å; I28-W30 VanDerWaalsContact O-CD1 3.27Å; I28-P42 HydrophobicContact CG2-CB 3.55Å; I28-R44 CarbonylContact C-O 3.45Å; I28-R44 WeakPolarHBondContact CA-O 3.31Å
29V74.5Confident60Low6 Ų677.4 Ų77.44%0.03640%0.396CS..EExtended strand (participates in β ladder)trans-85.6126.8169.4-167.90000107.9V14 F15 L16 P42 V43 R44 L46 L79V14-V29 HydrophobicContact CG1-CG1 3.27Å; F15-V29 CarbonylContact O-C 3.5Å; F15-V29 WeakPolarHBondContact O-CA 3.48Å; L16-V29 HydrophobicContact CD2-CB 4.36Å; L16-V29 HydrophobicContact CD2-CG2 3.71Å; V29-P42 CarbonylContact O-C 3.58Å; V29-V43 HydrophobicContact CB-CG2 4.09Å; V29-V43 HydrophobicContact CG1-CG2 3.92Å; V29-V43 WeakPolarHBondContact O-CG2 3.33Å; V29-V43 PolarHBondContact O-N 2.76Å; V29-R44 HydrophobicContact CB-CB 3.86Å; V29-R44 HydrophobicContact CG2-CB 3.82Å; V29-R44 HydrophobicContact CG2-CG 4.3Å; V29-R44 PolarHBondContact N-O 3.3Å; V29-R44 PolarHBondContact O-N 2.79Å; V29-L46 HydrophobicContact CG2-CD1 4.12Å; V29-L46 HydrophobicContact CG2-CD2 3.89Å; V29-L46 HydrophobicContact CG2-CG 3.88Å; V29-L79 HydrophobicContact CG2-CD2 4.12Å
30W74.2Confident61.6Low62 Ų6274.8 Ų74.824%0.23539%0.389CS..EExtended strand (participates in β ladder)trans-113.6137.8177.6-56.570.3000110V14 F15 T17 I28 V41 P42V14-W30 CarbonylContact C-O 3.51Å; V14-W30 WeakPolarHBondContact CA-O 3.43Å; F15-W30 HydrophobicContact CB-CB 4.03Å; F15-W30 HydrophobicContact CB-CG 4.36Å; F15-W30 PolarHBondContact N-O 3.32Å; F15-W30 PolarHBondContact O-N 2.86Å; T17-W30 VanDerWaalsContact CG2-NE1 3.27Å; T17-W30 PolarHBondContact OG1-NE1 2.85Å; I28-W30 HydrophobicContact CG2-CD2 4.41Å; I28-W30 HydrophobicContact CG2-CG 4.48Å; I28-W30 HydrophobicContact CG2-CZ2 4.17Å; I28-W30 VanDerWaalsContact O-CD1 3.27Å; W30-V41 CarbonylContact C-O 3.6Å; W30-V41 VanDerWaalsContact CA-O 3.28Å; W30-V41 WeakPolarHBondContact CA-O 3.38Å; W30-P42 HydrophobicContact CD2-CB 4.28Å; W30-P42 HydrophobicContact CE3-CB 4.2Å; W30-P42 HydrophobicContact CH2-CB 4.38Å; W30-P42 HydrophobicContact CH2-CG 4.43Å; W30-P42 HydrophobicContact CZ2-CB 4.46Å; W30-P42 HydrophobicContact CZ3-CB 4.26Å; W30-P42 HydrophobicContact CZ3-CG 4.21Å
31D73.7Confident63.1Low39 Ų3975.3 Ų75.321%0.20939%0.392CS..EExtended strand (participates in β ladder)trans-93.3126.7167.317329.7000109E13 R33 G40 V41 V43E13-D31 CarbonylContact O-C 3.34Å; E13-D31 WeakPolarHBondContact O-CA 3.31Å; D31-R33 IonicContact OD2-NE 2.85Å; D31-R33 PolarHBondContact OD2-NE 3.24Å; D31-R33 IonicContact OD2-NH2 3.97Å; D31-G40 CarbonylContact O-C 3.41Å; D31-G40 WeakPolarHBondContact O-CA 3.47Å; D31-V41 HydrophobicContact CB-CG2 4.2Å; D31-V41 PolarHBondContact N-O 2.79Å; D31-V41 PolarHBondContact O-N 2.85Å; D31-V43 HydrophobicContact CB-CB 4.49Å; D31-V43 HydrophobicContact CB-CG1 3.43Å; D31-V43 VanDerWaalsContact CB-CG1 3.43Å; D31-V43 HydrophobicContact CB-CG2 4.26Å
32L69.5Low65.1Low24 Ų2471.8 Ų71.813%0.12638%0.383CS..EExtended strand (participates in β ladder)trans-85.9120.3-177.9-72.6170.9000112.4R10 E13 F15 Y39 F288R10-L32 HydrophobicContact CG-CD1 4.3Å; E13-L32 PolarHBondContact O-N 3.15Å; F15-L32 HydrophobicContact CD2-CD1 3.47Å; F15-L32 VanDerWaalsContact CD2-CD1 3.47Å; F15-L32 HydrophobicContact CD2-CD2 3.3Å; F15-L32 HydrophobicContact CD2-CG 3.38Å; F15-L32 HydrophobicContact CE2-CD1 3.03Å; F15-L32 HydrophobicContact CE2-CD2 3.26Å; F15-L32 HydrophobicContact CE2-CG 3.4Å; F15-L32 VanDerWaalsContact CE2-CG 3.4Å; F15-L32 HydrophobicContact CZ-CD1 3.98Å; L32-Y39 CarbonylContact C-O 3.55Å; L32-Y39 WeakPolarHBondContact CA-O 3.26Å; L32-Y39 WeakPolarHBondContact CD2-O 3.48Å; L32-F288 HydrophobicContact CD1-CZ 4.4Å; L32-F288 HydrophobicContact CD2-CE1 4.03Å; L32-F288 HydrophobicContact CD2-CZ 4.34Å
33R70.3Confident67.2Low111 Ų11170.8 Ų70.842%0.41938%0.381SS..  trans-109.3129.4175-59.2-173178.9-172.20.7107.5D31 E35 Y39D31-R33 IonicContact OD2-NE 2.85Å; D31-R33 PolarHBondContact OD2-NE 3.24Å; D31-R33 IonicContact OD2-NH2 3.97Å; R33-E35 PolarHBondContact O-N 2.81Å; R33-Y39 PolarHBondContact N-O 2.67Å; R33-Y39 CarbonylContact O-C 3.57Å; R33-Y39 VanDerWaalsContact O-CA 3.26Å; R33-Y39 WeakPolarHBondContact O-CA 2.99Å
34R64.4Low68.9Low169 Ų16970.7 Ų70.764%0.63836%0.364SS*.  trans-85.817.3171.4-71.9-175.6165.4175.9-2.2111.6D283R34-D283 IonicContact NH2-OD2 3.64Å; R34-D283 PolarHBondContact NH2-OD2 2.97Å
35E58.8Low70.5Confident144 Ų14470.3 Ų70.367%0.67337%0.365SS*.SBendtrans-80.4150.7-178.6-70.3-176.9168.400111.2R33 G37 E38R33-E35 PolarHBondContact O-N 2.81Å; E35-G37 PolarHBondContact O-N 3.2Å; E35-E38 PolarHBondContact O-N 3.17Å
36S57.9Low71.4Confident134 Ų13466 Ų6694%0.93735%0.347SS*.THydrogen-bonded Turntrans-57.698.6-165.652.20000113.8
37G59.3Low72.3Confident73 Ų7371.5 Ų71.575%0.75337%0.372SS*.THydrogen-bonded Turntrans113.2-25.2167.800000114.9E35E35-G37 PolarHBondContact O-N 3.2Å
38E63.1Low73.1Confident131 Ų13172.8 Ų72.861%0.61239%0.386SS*.  trans-115.6105.1177.4-70.3-174.1175.100109.8E35 G40E35-E38 PolarHBondContact O-N 3.17Å; E38-G40 PolarHBondContact O-N 3.06Å
39Y68.3Low73.7Confident112 Ų11272 Ų7244%0.43938%0.381SS..SBendtrans-70.3-18.5179.4-79.5-80000113.3L32 R33 V298L32-Y39 CarbonylContact C-O 3.55Å; L32-Y39 WeakPolarHBondContact CA-O 3.26Å; L32-Y39 WeakPolarHBondContact CD2-O 3.48Å; R33-Y39 PolarHBondContact N-O 2.67Å; R33-Y39 CarbonylContact O-C 3.57Å; R33-Y39 VanDerWaalsContact O-CA 3.26Å; R33-Y39 WeakPolarHBondContact O-CA 2.99Å; Y39-V298 HydrophobicContact CD1-CB 4.29Å; Y39-V298 HydrophobicContact CD1-CG1 3.82Å; Y39-V298 HydrophobicContact CD1-CG2 4.43Å; Y39-V298 HydrophobicContact CD2-CB 3.97Å; Y39-V298 HydrophobicContact CD2-CG1 4.39Å; Y39-V298 HydrophobicContact CD2-CG2 3.96Å; Y39-V298 HydrophobicContact CE1-CB 4.37Å; Y39-V298 HydrophobicContact CE1-CG1 3.83Å; Y39-V298 HydrophobicContact CE2-CB 4.06Å; Y39-V298 HydrophobicContact CE2-CG1 4.4Å; Y39-V298 HydrophobicContact CG-CB 4.08Å; Y39-V298 HydrophobicContact CG-CG1 4.11Å; Y39-V298 HydrophobicContact CG-CG2 3.88Å
40G71Confident74.4Confident21 Ų2177.1 Ų77.122%0.21641%0.408CS..EExtended strand (participates in β ladder)trans-176.5160.8175.400000113.3D31 E38D31-G40 CarbonylContact O-C 3.41Å; D31-G40 WeakPolarHBondContact O-CA 3.47Å; E38-G40 PolarHBondContact O-N 3.06Å
41V75.2Confident75Confident27 Ų2777.7 Ų77.716%0.16441%0.413CS..EExtended strand (participates in β ladder)trans-121.8138.7-178.9-64.70000110.1W30 D31 V43W30-V41 CarbonylContact C-O 3.6Å; W30-V41 VanDerWaalsContact CA-O 3.28Å; W30-V41 WeakPolarHBondContact CA-O 3.38Å; D31-V41 HydrophobicContact CB-CG2 4.2Å; D31-V41 PolarHBondContact N-O 2.79Å; D31-V41 PolarHBondContact O-N 2.85Å; V41-V43 HydrophobicContact CG2-CG1 4.21Å; V41-V43 PolarHBondContact O-N 3.28Å
42P76.3Confident75.4Confident81 Ų8180.1 Ų80.153%0.52642%0.422SS..EExtended strand (participates in β ladder)trans-69.4122.8175.830-32.8000109I28 V29 W30I28-P42 HydrophobicContact CG2-CB 3.55Å; V29-P42 CarbonylContact O-C 3.58Å; W30-P42 HydrophobicContact CD2-CB 4.28Å; W30-P42 HydrophobicContact CE3-CB 4.2Å; W30-P42 HydrophobicContact CH2-CB 4.38Å; W30-P42 HydrophobicContact CH2-CG 4.43Å; W30-P42 HydrophobicContact CZ2-CB 4.46Å; W30-P42 HydrophobicContact CZ3-CB 4.26Å; W30-P42 HydrophobicContact CZ3-CG 4.21Å
43V80.2Confident76.1Confident78 Ų7879.6 Ų79.647%0.47342%0.42SS..EExtended strand (participates in β ladder)trans-106.7-21.6-177.7-69.30000113.2V29 D31 V41V29-V43 HydrophobicContact CB-CG2 4.09Å; V29-V43 HydrophobicContact CG1-CG2 3.92Å; V29-V43 WeakPolarHBondContact O-CG2 3.33Å; V29-V43 PolarHBondContact O-N 2.76Å; D31-V43 HydrophobicContact CB-CB 4.49Å; D31-V43 HydrophobicContact CB-CG1 3.43Å; D31-V43 VanDerWaalsContact CB-CG1 3.43Å; D31-V43 HydrophobicContact CB-CG2 4.26Å; V41-V43 HydrophobicContact CG2-CG1 4.21Å; V41-V43 PolarHBondContact O-N 3.28Å
44R80.5Confident76.8Confident107 Ų10775 Ų7540%0.40441%0.405SS..EExtended strand (participates in β ladder)trans-159.1152.8-176.4-171177.7-64.5-82.7-0.8112I28 V29 L46 E80 T81I28-R44 CarbonylContact C-O 3.45Å; I28-R44 WeakPolarHBondContact CA-O 3.31Å; V29-R44 HydrophobicContact CB-CB 3.86Å; V29-R44 HydrophobicContact CG2-CB 3.82Å; V29-R44 HydrophobicContact CG2-CG 4.3Å; V29-R44 PolarHBondContact N-O 3.3Å; V29-R44 PolarHBondContact O-N 2.79Å; R44-L46 HydrophobicContact CG-CD2 4.24Å; R44-E80 PolarHBondContact NH2-O 3.4Å; R44-E80 VanDerWaalsContact NH2-O 3.15Å; R44-T81 PolarHBondContact NH1-O 2.91Å
45S83.5Confident77.9Confident40 Ų4067.1 Ų67.128%0.2838%0.376SS..EExtended strand (participates in β ladder)trans-119.7128.6168.1170.80000111S26 L27 H47S26-S45 WeakPolarHBondContact CB-OG 3.23Å; S26-S45 PolarHBondContact OG-OG 3Å; L27-S45 CarbonylContact O-C 3.44Å; L27-S45 VanDerWaalsContact O-CA 3.26Å; L27-S45 WeakPolarHBondContact O-CA 3.3Å; S45-H47 PolarHBondContact O-ND1 2.72Å; S45-H47 PolarHBondContact OG-CE1 3.26Å; S45-H47 PolarHBondContact OG-NE2 3.41Å
46L84.4Confident79.3Confident1 Ų160.3 Ų60.31%0.00534%0.344CS..EExtended strand (participates in β ladder)trans-97.9121.9179.3-41.9174.4000109.3L16 S26 L27 V29 R44 A65 Y77 L79L16-L46 HydrophobicContact CD2-CD1 3.75Å; S26-L46 VanDerWaalsContact CA-O 3.23Å; S26-L46 WeakPolarHBondContact CA-O 3.29Å; S26-L46 VanDerWaalsContact CB-O 3.3Å; S26-L46 WeakPolarHBondContact CB-O 3.31Å; L27-L46 HydrophobicContact CB-CB 4.03Å; L27-L46 HydrophobicContact CB-CD1 4.06Å; L27-L46 HydrophobicContact CB-CG 4.2Å; L27-L46 HydrophobicContact CD1-CD1 4.26Å; L27-L46 PolarHBondContact N-O 2.73Å; L27-L46 PolarHBondContact O-N 2.83Å; V29-L46 HydrophobicContact CG2-CD1 4.12Å; V29-L46 HydrophobicContact CG2-CD2 3.89Å; V29-L46 HydrophobicContact CG2-CG 3.88Å; R44-L46 HydrophobicContact CG-CD2 4.24Å; L46-A65 HydrophobicContact CD1-CB 4.03Å; L46-Y77 HydrophobicContact CB-CD1 3.85Å; L46-Y77 HydrophobicContact CB-CE1 3.96Å; L46-Y77 HydrophobicContact CB-CG 4.27Å; L46-Y77 HydrophobicContact CD1-CD1 4.37Å; L46-Y77 HydrophobicContact CD1-CD2 4.15Å; L46-Y77 HydrophobicContact CD1-CG 3.94Å; L46-L79 HydrophobicContact CD1-CD2 4.21Å
47H87.4Confident80.7Confident117 Ų11754.4 Ų54.454%0.54230%0.302SS..  trans-112.9159-173.4-61.883.9000112S45S45-H47 PolarHBondContact O-ND1 2.72Å; S45-H47 PolarHBondContact OG-CE1 3.26Å; S45-H47 PolarHBondContact OG-NE2 3.41Å
48G86.6Confident82Confident28 Ų2851.9 Ų51.929%0.28927%0.271SS..  trans140.4-17.6164.500000114.9R75G48-R75 VanDerWaalsContact C-CZ 3.4Å; G48-R75 PolarHBondContact O-NE 3.15Å; G48-R75 VanDerWaalsContact O-NE 3.08Å; G48-R75 PolarHBondContact O-NH2 3.46Å
49H88Confident83.3Confident7 Ų745.6 Ų45.63%0.03224%0.242CC..  trans-70.9142.5172-82.5-57.7000111.5K25 V53 S67 S69 D71 T73 Y77K25-H49 WeakPolarHBondContact CB-O 3.36Å; H49-V53 HydrophobicContact CB-CG2 4.14Å; H49-S67 PolarHBondContact CD2-OG 2.61Å; H49-S67 VanDerWaalsContact CD2-OG 3.24Å; H49-S67 PolarHBondContact NE2-OG 3.24Å; H49-S69 WeakPolarHBondContact CE1-CB 3.44Å; H49-S69 VanDerWaalsContact CG-CB 3.45Å; H49-S69 WeakPolarHBondContact ND1-CB 3.28Å; H49-D71 VanDerWaalsContact CA-OD2 3.32Å; H49-D71 WeakPolarHBondContact CA-OD2 2.97Å; H49-D71 IonicContact CE1-OD1 3.06Å; H49-D71 IonicContact CE1-OD2 2.69Å; H49-D71 IonicContact CG-OD2 3.33Å; H49-D71 IonicContact ND1-OD1 2.9Å; H49-D71 PolarHBondContact ND1-OD1 2.82Å; H49-D71 IonicContact ND1-OD2 3.95Å; H49-D71 PolarHBondContact ND1-OD2 2.76Å; H49-T73 PolarHBondContact CE1-OG1 3.14Å; H49-T73 PolarHBondContact ND1-OG1 3.3Å; H49-Y77 PolarHBondContact CD2-OH 2.91Å; H49-Y77 VanDerWaalsContact CD2-OH 3.26Å
50N90Very high84.2Confident113 Ų11343.1 Ų43.160%0.60424%0.241SC*.SBendtrans-94-3.8-178.6-71.1-35.8000112.8K25 D71K25-N50 WeakPolarHBondContact CE-O 3.49Å; K25-N50 PolarHBondContact NZ-O 2.99Å; N50-D71 HydrophobicContact CB-CB 4.07Å; N50-D71 PolarHBondContact N-OD2 2.84Å
51H86.6Confident84.9Confident74 Ų7445.7 Ų45.734%0.34325%0.25SC..SBendtrans-147.7172.5177-149.6-67.3000110.1V53 S69 W70 D71H51-V53 PolarHBondContact O-N 2.76Å; H51-S69 PolarHBondContact O-OG 3.4Å; H51-W70 HydrophobicContact CB-CB 3.85Å; H51-W70 AromaticContact CE1-CE3 3.64Å; H51-W70 VanDerWaalsContact ND1-CB 3.31Å; H51-W70 WeakPolarHBondContact ND1-CB 3.33Å; H51-W70 AromaticContact ND1-CE3 3.97Å; H51-D71 HydrophobicContact CB-CB 3.95Å
52F82.2Confident85.2Confident90 Ų9045.5 Ų45.540%0.39525%0.253SS..  trans-42131.9174.9-58.2-56.4000113.4S69 W70F52-S69 WeakPolarHBondContact O-CA 3.34Å; F52-S69 PolarHBondContact O-OG 3.5Å; F52-W70 HydrophobicContact CB-CG 4.4Å; F52-W70 HydrophobicContact CD2-CE3 4.28Å; F52-W70 PolarHBondContact O-N 3.08Å
53V83.6Confident85.8Confident13 Ų1346.2 Ų46.28%0.07925%0.251CS..EExtended strand (participates in β ladder)trans-79.4130.7170.7-178.40000108.4T18 L27 H49 H51 D55 G68T18-V53 HydrophobicContact CG2-CB 3.54Å; T18-V53 HydrophobicContact CG2-CG1 3.53Å; T18-V53 HydrophobicContact CG2-CG2 4.48Å; L27-V53 HydrophobicContact CD2-CG1 3.99Å; L27-V53 HydrophobicContact CG-CG1 4.39Å; H49-V53 HydrophobicContact CB-CG2 4.14Å; H51-V53 PolarHBondContact O-N 2.76Å; V53-D55 WeakPolarHBondContact CG1-O 3.27Å; V53-G68 WeakPolarHBondContact CG1-O 3.37Å
54S85.9Confident86.4Confident15 Ų1546.4 Ų46.411%0.10524%0.244CC..EExtended strand (participates in β ladder)trans-109.6-12.8-169.968.30000114.3F7 G68 V95 L96F7-S54 WeakPolarHBondContact CE2-O 3.32Å; F7-S54 WeakPolarHBondContact CZ-O 3.12Å; S54-G68 PolarHBondContact N-O 2.98Å; S54-G68 PolarHBondContact OG-O 3.44Å; S54-G68 VanDerWaalsContact OG-O 3.14Å; S54-V95 WeakPolarHBondContact CB-O 3.03Å; S54-V95 PolarHBondContact OG-O 3.44Å; S54-L96 WeakPolarHBondContact OG-CA 3.33Å; S54-L96 PolarHBondContact OG-O 3.26Å
55D88Confident86.9Confident4 Ų441.3 Ų41.32%0.02123%0.225CC..EExtended strand (participates in β ladder)trans-168.1151.3175.3-16011000106.9F7 V53 S67 G68 S97 V98 R142F7-D55 VanDerWaalsContact CD1-OD1 3.31Å; F7-D55 WeakPolarHBondContact CD1-OD1 3.42Å; F7-D55 HydrophobicContact CE1-CB 4.22Å; F7-D55 WeakPolarHBondContact CE1-OD1 3.33Å; F7-D55 HydrophobicContact CZ-CB 4.26Å; V53-D55 WeakPolarHBondContact CG1-O 3.27Å; D55-S67 VanDerWaalsContact O-CA 3.3Å; D55-S67 WeakPolarHBondContact O-CA 3.48Å; D55-G68 PolarHBondContact O-N 3.24Å; D55-S97 WeakPolarHBondContact OD2-CA 3.43Å; D55-S97 WeakPolarHBondContact OD2-CB 3.46Å; D55-S97 PolarHBondContact OD2-OG 3.45Å; D55-V98 HydrophobicContact CB-CG2 4.17Å; D55-V98 PolarHBondContact OD2-N 3.22Å; D55-R142 IonicContact OD2-NH1 3.44Å
56V87Confident87.3Confident0 Ų039.4 Ų39.40%021%0.212CC..EExtended strand (participates in β ladder)trans-141.8151.6171.1520000107.6F7 F9 L16 L27 A65 L66F7-V56 HydrophobicContact CB-CG1 3.32Å; F7-V56 HydrophobicContact CD2-CG1 4.43Å; F7-V56 HydrophobicContact CG-CG1 4.05Å; F9-V56 HydrophobicContact CD2-CG1 4.02Å; F9-V56 WeakPolarHBondContact CD2-O 3.45Å; F9-V56 HydrophobicContact CE2-CG1 4.39Å; F9-V56 WeakPolarHBondContact CE2-O 3.42Å; F9-V56 WeakPolarHBondContact CG-O 3.49Å; F9-V56 WeakPolarHBondContact CZ-O 3.44Å; L16-V56 HydrophobicContact CB-CG1 4.16Å; L16-V56 HydrophobicContact CB-CG2 4.02Å; L16-V56 HydrophobicContact CD1-CG2 3.66Å; L16-V56 HydrophobicContact CG-CG2 4.38Å; L27-V56 HydrophobicContact CD1-CG2 4.22Å; L27-V56 HydrophobicContact CD2-CB 3.65Å; L27-V56 HydrophobicContact CD2-CG1 3.68Å; L27-V56 HydrophobicContact CD2-CG2 3.83Å; V56-A65 HydrophobicContact CG2-CB 4.5Å; V56-L66 CarbonylContact C-O 3.54Å; V56-L66 WeakPolarHBondContact CA-O 3.32Å; V56-L66 WeakPolarHBondContact CG2-O 3.28Å
57V88Confident87.7Confident10 Ų1039.3 Ų39.36%0.06121%0.211CC..EExtended strand (participates in β ladder)trans-141.8161171.9-64.60000108.2F9 A65 L66 V98 F100F9-V57 HydrophobicContact CD1-CB 4.32Å; F9-V57 HydrophobicContact CD1-CG1 4.04Å; F9-V57 HydrophobicContact CE1-CB 4.48Å; F9-V57 HydrophobicContact CE1-CG1 3.71Å; F9-V57 HydrophobicContact CZ-CG1 4.02Å; V57-A65 CarbonylContact O-C 3.56Å; V57-A65 WeakPolarHBondContact O-CA 3.27Å; V57-L66 HydrophobicContact CG2-CB 3.81Å; V57-L66 HydrophobicContact CG2-CD2 3.99Å; V57-L66 HydrophobicContact CG2-CG 4.28Å; V57-L66 PolarHBondContact N-O 3.35Å; V57-L66 PolarHBondContact O-N 2.93Å; V57-V98 HydrophobicContact CG1-CG2 4.39Å; V57-V98 VanDerWaalsContact CG1-O 3.3Å; V57-V98 WeakPolarHBondContact CG1-O 3.31Å; V57-V98 HydrophobicContact CG2-CG2 4.07Å; V57-F100 HydrophobicContact CG2-CD2 3.59Å; V57-F100 HydrophobicContact CG2-CE2 3.89Å
58M86.1Confident87.8Confident20 Ų2033.8 Ų33.810%0.09919%0.186CC..EExtended strand (participates in β ladder)trans-110.4147172.7-173.3156.347.800109.7L11 V14 L16 Y64 L79L11-M58 HydrophobicContact CB-CE 3.87Å; V14-M58 HydrophobicContact CB-CE 4.5Å; V14-M58 HydrophobicContact CG1-SD 4.43Å; L16-M58 HydrophobicContact CD1-CB 4.48Å; M58-Y64 CarbonylContact C-O 3.55Å; M58-Y64 WeakPolarHBondContact CA-O 3.19Å; M58-Y64 WeakPolarHBondContact CG-O 3.48Å; M58-L79 HydrophobicContact CG-CD1 3.92Å; M58-L79 HydrophobicContact SD-CD1 3.36Å; M58-L79 WeakPolarHBondContact SD-CD1 3.36Å
59S90.8Very high88Confident0 Ų032.4 Ų32.40%017%0.172CC..  trans-65.3153.317256.10000110.7L11 D61 G62 L63 Y64L11-S59 WeakPolarHBondContact CD1-O 3.08Å; S59-D61 VanDerWaalsContact CB-OD1 3.27Å; S59-D61 WeakPolarHBondContact CB-OD1 3.41Å; S59-D61 PolarHBondContact O-N 3.15Å; S59-D61 VanDerWaalsContact O-N 3.13Å; S59-D61 PolarHBondContact OG-OD1 2.97Å; S59-G62 PolarHBondContact O-N 3.32Å; S59-L63 PolarHBondContact OG-N 2.96Å; S59-Y64 PolarHBondContact N-O 2.95Å; S59-Y64 PolarHBondContact OG-N 2.9Å; S59-Y64 PolarHBondContact OG-O 2.78Å
60S86.9Confident88.2Confident60 Ų6035.5 Ų35.542%0.4218%0.183SC..THydrogen-bonded Turntrans-64.5-17.4-176.162.10000114.5L11 A102 N104L11-S60 VanDerWaalsContact CD1-CA 3.49Å; L11-S60 VanDerWaalsContact CD1-O 3.31Å; L11-S60 WeakPolarHBondContact CD1-O 3.33Å; L11-S60 WeakPolarHBondContact CD2-O 3.29Å; S60-A102 PolarHBondContact OG-O 3.25Å; S60-N104 PolarHBondContact N-ND2 2.81Å; S60-N104 PolarHBondContact N-OD1 3.3Å; S60-N104 VanDerWaalsContact OG-CG 3.29Å; S60-N104 PolarHBondContact OG-ND2 3.27Å; S60-N104 PolarHBondContact OG-OD1 2.76Å
61D86.6Confident88.4Confident75 Ų7531.6 Ų31.640%0.40116%0.163SC..THydrogen-bonded Turntrans-90.2-4.6173.756.618.2000113.6S59 L63 N104S59-D61 VanDerWaalsContact CB-OD1 3.27Å; S59-D61 WeakPolarHBondContact CB-OD1 3.41Å; S59-D61 PolarHBondContact O-N 3.15Å; S59-D61 VanDerWaalsContact O-N 3.13Å; S59-D61 PolarHBondContact OG-OD1 2.97Å; D61-L63 HydrophobicContact CB-CD1 4.31Å; D61-L63 HydrophobicContact CB-CG 4.16Å; D61-L63 PolarHBondContact O-N 2.88Å; D61-L63 WeakPolarHBondContact OD1-CB 3.49Å; D61-L63 PolarHBondContact OD1-N 3.17Å; D61-N104 PolarHBondContact OD2-ND2 2.78Å
62G81.6Confident88.9Confident22 Ų2229.5 Ų29.523%0.22716%0.156CC..SBendtrans71.710-179.200000114.9S59 L79S59-G62 PolarHBondContact O-N 3.32Å; G62-L79 WeakPolarHBondContact O-CD1 3.41Å
63L89.3Confident89.7Confident96 Ų9626.1 Ų26.150%0.50314%0.143SC..SBendtrans-91.5-23.6-175.2-59.4-179.8000113.4S59 D61 L79S59-L63 PolarHBondContact OG-N 2.96Å; D61-L63 HydrophobicContact CB-CD1 4.31Å; D61-L63 HydrophobicContact CB-CG 4.16Å; D61-L63 PolarHBondContact O-N 2.88Å; D61-L63 WeakPolarHBondContact OD1-CB 3.49Å; D61-L63 PolarHBondContact OD1-N 3.17Å; L63-L79 WeakPolarHBondContact O-CB 3.4Å; L63-L79 PolarHBondContact O-N 3.29Å
64Y92.2Very high90.3Very high82 Ų8225.5 Ų25.532%0.32214%0.139SC..EExtended strand (participates in β ladder)trans-131.2142.9-174.3-60.8-85000113.2M58 S59 L76 Y77 D78 T85M58-Y64 CarbonylContact C-O 3.55Å; M58-Y64 WeakPolarHBondContact CA-O 3.19Å; M58-Y64 WeakPolarHBondContact CG-O 3.48Å; S59-Y64 PolarHBondContact N-O 2.95Å; S59-Y64 PolarHBondContact OG-N 2.9Å; S59-Y64 PolarHBondContact OG-O 2.78Å; Y64-L76 HydrophobicContact CD1-CD1 4.38Å; Y64-L76 HydrophobicContact CD1-CD2 4.43Å; Y64-L76 HydrophobicContact CD1-CG 4.19Å; Y64-L76 HydrophobicContact CG-CD1 4.33Å; Y64-Y77 CarbonylContact C-O 3.53Å; Y64-Y77 WeakPolarHBondContact CA-O 3.3Å; Y64-Y77 WeakPolarHBondContact CB-O 3.46Å; Y64-Y77 WeakPolarHBondContact CD1-O 3.18Å; Y64-D78 HydrophobicContact CD1-CB 4.44Å; Y64-D78 HydrophobicContact CE1-CB 4.25Å; Y64-T85 HydrophobicContact CE1-CG2 4.36Å
65A90.7Very high90.8Very high0 Ų026.4 Ų26.40%014%0.14CC..EExtended strand (participates in β ladder)trans-103.5143.5165.400000110.3L16 L46 V56 V57 L76 Y77 L79L16-A65 HydrophobicContact CD1-CB 3.44Å; L16-A65 VanDerWaalsContact CD1-CB 3.44Å; L16-A65 HydrophobicContact CD2-CB 4.38Å; L46-A65 HydrophobicContact CD1-CB 4.03Å; V56-A65 HydrophobicContact CG2-CB 4.5Å; V57-A65 CarbonylContact O-C 3.56Å; V57-A65 WeakPolarHBondContact O-CA 3.27Å; A65-L76 CarbonylContact O-C 3.56Å; A65-L76 WeakPolarHBondContact O-CA 3.49Å; A65-Y77 HydrophobicContact CB-CD2 4.16Å; A65-Y77 PolarHBondContact N-O 3.07Å; A65-Y77 PolarHBondContact O-N 2.76Å; A65-L79 HydrophobicContact CB-CD2 3.9Å; A65-L79 HydrophobicContact CB-CG 4.26Å
66L92.4Very high91.2Very high0 Ų026.7 Ų26.70%014%0.142CC..EExtended strand (participates in β ladder)trans-123.2129.8170.4172.272.6000109.1V56 V57 L74 R75 L76 F88 V98 F100 I107V56-L66 CarbonylContact C-O 3.54Å; V56-L66 WeakPolarHBondContact CA-O 3.32Å; V56-L66 WeakPolarHBondContact CG2-O 3.28Å; V57-L66 HydrophobicContact CG2-CB 3.81Å; V57-L66 HydrophobicContact CG2-CD2 3.99Å; V57-L66 HydrophobicContact CG2-CG 4.28Å; V57-L66 PolarHBondContact N-O 3.35Å; V57-L66 PolarHBondContact O-N 2.93Å; L66-L74 HydrophobicContact CD1-CB 4.13Å; L66-L74 HydrophobicContact CD1-CD2 4.12Å; L66-R75 CarbonylContact C-O 3.51Å; L66-R75 VanDerWaalsContact CA-O 3.29Å; L66-R75 WeakPolarHBondContact CA-O 3.35Å; L66-L76 HydrophobicContact CB-CD1 4.42Å; L66-F88 HydrophobicContact CD1-CE2 4.25Å; L66-V98 HydrophobicContact CD2-CB 3.8Å; L66-V98 HydrophobicContact CD2-CG1 4.49Å; L66-V98 HydrophobicContact CD2-CG2 4.21Å; L66-V98 HydrophobicContact CG-CB 4.06Å; L66-V98 HydrophobicContact CG-CG1 4.48Å; L66-V98 HydrophobicContact CG-CG2 4.09Å; L66-F100 HydrophobicContact CB-CD2 4.26Å; L66-F100 HydrophobicContact CB-CE1 4.4Å; L66-F100 HydrophobicContact CB-CE2 3.39Å; L66-F100 HydrophobicContact CB-CZ 3.5Å; L66-F100 VanDerWaalsContact CB-CZ 3.5Å; L66-F100 HydrophobicContact CD2-CD2 4.47Å; L66-F100 HydrophobicContact CD2-CE1 4.48Å; L66-F100 HydrophobicContact CD2-CE2 4.27Å; L66-F100 HydrophobicContact CD2-CZ 4.29Å; L66-F100 HydrophobicContact CG-CE2 4.48Å; L66-F100 HydrophobicContact CG-CZ 4.45Å; L66-I107 HydrophobicContact CD1-CD1 4.15Å; L66-I107 HydrophobicContact CD1-CG2 4.28Å; L66-I107 HydrophobicContact CD2-CB 4.27Å; L66-I107 HydrophobicContact CD2-CD1 4.21Å; L66-I107 HydrophobicContact CD2-CG1 3.98Å; L66-I107 HydrophobicContact CD2-CG2 3.4Å; L66-I107 VanDerWaalsContact CD2-CG2 3.4Å; L66-I107 HydrophobicContact CG-CG2 4.48Å
67S92.1Very high91.5Very high0 Ų026.8 Ų26.80%014%0.142CC..EExtended strand (participates in β ladder)trans-125.5150.4175.765.40000113.2H49 D55 L74 R75 Y77H49-S67 PolarHBondContact CD2-OG 2.61Å; H49-S67 VanDerWaalsContact CD2-OG 3.24Å; H49-S67 PolarHBondContact NE2-OG 3.24Å; D55-S67 VanDerWaalsContact O-CA 3.3Å; D55-S67 WeakPolarHBondContact O-CA 3.48Å; S67-L74 CarbonylContact O-C 3.57Å; S67-L74 WeakPolarHBondContact O-CA 3.18Å; S67-L74 VanDerWaalsContact O-CB 3.28Å; S67-L74 WeakPolarHBondContact O-CB 3.36Å; S67-R75 PolarHBondContact N-O 2.96Å; S67-R75 PolarHBondContact O-N 2.91Å; S67-Y77 VanDerWaalsContact OG-CE2 3.27Å; S67-Y77 WeakPolarHBondContact OG-CE2 3.36Å; S67-Y77 PolarHBondContact OG-OH 3.08Å
68G90.2Very high91.7Very high0 Ų027.9 Ų27.90%015%0.147CC..EExtended strand (participates in β ladder)trans-109.5146.4167.300000110.7V53 S54 D55V53-G68 WeakPolarHBondContact CG1-O 3.37Å; S54-G68 PolarHBondContact N-O 2.98Å; S54-G68 PolarHBondContact OG-O 3.44Å; S54-G68 VanDerWaalsContact OG-O 3.14Å; D55-G68 PolarHBondContact O-N 3.24Å
69S91Very high91.7Very high0 Ų027.8 Ų27.80%015%0.147CC..EExtended strand (participates in β ladder)trans-136.6160.5-177.2174.10000113.5H49 H51 F52 D71 S72 T73 V95H49-S69 WeakPolarHBondContact CE1-CB 3.44Å; H49-S69 VanDerWaalsContact CG-CB 3.45Å; H49-S69 WeakPolarHBondContact ND1-CB 3.28Å; H51-S69 PolarHBondContact O-OG 3.4Å; F52-S69 WeakPolarHBondContact O-CA 3.34Å; F52-S69 PolarHBondContact O-OG 3.5Å; S69-D71 VanDerWaalsContact CB-OD1 3.31Å; S69-D71 WeakPolarHBondContact CB-OD1 3.16Å; S69-D71 PolarHBondContact O-N 3.11Å; S69-D71 PolarHBondContact OG-N 3.1Å; S69-D71 VanDerWaalsContact OG-N 3.14Å; S69-D71 PolarHBondContact OG-OD1 3.43Å; S69-S72 PolarHBondContact O-N 3.21Å; S69-S72 VanDerWaalsContact O-N 3.15Å; S69-T73 PolarHBondContact N-O 2.78Å; S69-T73 VanDerWaalsContact N-O 3.09Å; S69-V95 PolarHBondContact O-N 3.26Å
70W91.9Very high91.5Very high71 Ų7135.6 Ų35.627%0.26918%0.184SC..THydrogen-bonded Turntrans-67.2-9.6170.4-7433.2000113.6H51 F52 S72H51-W70 HydrophobicContact CB-CB 3.85Å; H51-W70 AromaticContact CE1-CE3 3.64Å; H51-W70 VanDerWaalsContact ND1-CB 3.31Å; H51-W70 WeakPolarHBondContact ND1-CB 3.33Å; H51-W70 AromaticContact ND1-CE3 3.97Å; F52-W70 HydrophobicContact CB-CG 4.4Å; F52-W70 HydrophobicContact CD2-CE3 4.28Å; F52-W70 PolarHBondContact O-N 3.08Å; W70-S72 PolarHBondContact O-N 2.89Å
71D94.3Very high91.7Very high32 Ų3235.7 Ų35.717%0.17118%0.182CC..THydrogen-bonded Turntrans-75.87.9168.672.412.3000113.7H49 N50 H51 S69 T73H49-D71 VanDerWaalsContact CA-OD2 3.32Å; H49-D71 WeakPolarHBondContact CA-OD2 2.97Å; H49-D71 IonicContact CE1-OD1 3.06Å; H49-D71 IonicContact CE1-OD2 2.69Å; H49-D71 IonicContact CG-OD2 3.33Å; H49-D71 IonicContact ND1-OD1 2.9Å; H49-D71 PolarHBondContact ND1-OD1 2.82Å; H49-D71 IonicContact ND1-OD2 3.95Å; H49-D71 PolarHBondContact ND1-OD2 2.76Å; N50-D71 HydrophobicContact CB-CB 4.07Å; N50-D71 PolarHBondContact N-OD2 2.84Å; H51-D71 HydrophobicContact CB-CB 3.95Å; S69-D71 VanDerWaalsContact CB-OD1 3.31Å; S69-D71 WeakPolarHBondContact CB-OD1 3.16Å; S69-D71 PolarHBondContact O-N 3.11Å; S69-D71 PolarHBondContact OG-N 3.1Å; S69-D71 VanDerWaalsContact OG-N 3.14Å; S69-D71 PolarHBondContact OG-OD1 3.43Å; D71-T73 PolarHBondContact O-N 2.89Å; D71-T73 WeakPolarHBondContact OD1-CA 3.21Å; D71-T73 WeakPolarHBondContact OD1-CB 3.28Å; D71-T73 PolarHBondContact OD1-N 2.81Å; D71-T73 PolarHBondContact OD1-OG1 2.83Å; D71-T73 PolarHBondContact OD2-OG1 3.47Å
72S97.2Very high91.7Very high29 Ų2932.8 Ų32.820%0.20317%0.17CC..SBendtrans68.614.3179.2-47.10000114.4S69 W70 K93S69-S72 PolarHBondContact O-N 3.21Å; S69-S72 VanDerWaalsContact O-N 3.15Å; W70-S72 PolarHBondContact O-N 2.89Å; S72-K93 WeakPolarHBondContact CA-O 3.43Å; S72-K93 WeakPolarHBondContact CB-O 3.43Å; S72-K93 WeakPolarHBondContact OG-CA 3.3Å; S72-K93 PolarHBondContact OG-O 2.74Å
73T97.4Very high92.2Very high19 Ų1938.8 Ų38.812%0.11719%0.19CC..  trans-117.7163.4178.274.30000112.5H49 S69 D71 F88H49-T73 PolarHBondContact CE1-OG1 3.14Å; H49-T73 PolarHBondContact ND1-OG1 3.3Å; S69-T73 PolarHBondContact N-O 2.78Å; S69-T73 VanDerWaalsContact N-O 3.09Å; D71-T73 PolarHBondContact O-N 2.89Å; D71-T73 WeakPolarHBondContact OD1-CA 3.21Å; D71-T73 WeakPolarHBondContact OD1-CB 3.28Å; D71-T73 PolarHBondContact OD1-N 2.81Å; D71-T73 PolarHBondContact OD1-OG1 2.83Å; D71-T73 PolarHBondContact OD2-OG1 3.47Å; T73-F88 WeakPolarHBondContact CA-O 3.2Å; T73-F88 WeakPolarHBondContact CB-O 3.21Å
74L97.3Very high92.4Very high0 Ų036.4 Ų36.40%018%0.179CC..EExtended strand (participates in β ladder)trans-111.5156.9161.8-50.764.8000109.3L66 S67 R87 F88 V95 V98 I107 W119L66-L74 HydrophobicContact CD1-CB 4.13Å; L66-L74 HydrophobicContact CD1-CD2 4.12Å; S67-L74 CarbonylContact O-C 3.57Å; S67-L74 WeakPolarHBondContact O-CA 3.18Å; S67-L74 VanDerWaalsContact O-CB 3.28Å; S67-L74 WeakPolarHBondContact O-CB 3.36Å; L74-R87 WeakPolarHBondContact O-CA 3.41Å; L74-F88 HydrophobicContact CB-CB 3.88Å; L74-F88 HydrophobicContact CB-CD2 3.89Å; L74-F88 HydrophobicContact CB-CG 4.07Å; L74-F88 HydrophobicContact CD1-CB 4.04Å; L74-F88 HydrophobicContact CD2-CB 4.49Å; L74-F88 HydrophobicContact CD2-CG 4.48Å; L74-F88 HydrophobicContact CG-CB 4.36Å; L74-F88 PolarHBondContact N-O 3.37Å; L74-F88 PolarHBondContact O-N 2.7Å; L74-V95 HydrophobicContact CD1-CG1 4.27Å; L74-V95 HydrophobicContact CD1-CG2 3.86Å; L74-V95 HydrophobicContact CG-CG1 4.28Å; L74-V98 HydrophobicContact CD2-CG1 3.62Å; L74-V98 HydrophobicContact CG-CG1 3.79Å; L74-I107 HydrophobicContact CD2-CG2 3.92Å; L74-W119 HydrophobicContact CD1-CZ2 4.17Å
75R95.9Very high92.6Very high35 Ų3535.2 Ų35.213%0.13218%0.18CC..EExtended strand (participates in β ladder)trans-134134.8172.6-75.2179.1171.5-97.80.6111.3G48 L66 S67 Y77 T84 R86 R87G48-R75 VanDerWaalsContact C-CZ 3.4Å; G48-R75 PolarHBondContact O-NE 3.15Å; G48-R75 VanDerWaalsContact O-NE 3.08Å; G48-R75 PolarHBondContact O-NH2 3.46Å; L66-R75 CarbonylContact C-O 3.51Å; L66-R75 VanDerWaalsContact CA-O 3.29Å; L66-R75 WeakPolarHBondContact CA-O 3.35Å; S67-R75 PolarHBondContact N-O 2.96Å; S67-R75 PolarHBondContact O-N 2.91Å; R75-Y77 HydrophobicContact CB-CD2 4.32Å; R75-Y77 HydrophobicContact CB-CE1 4.18Å; R75-Y77 HydrophobicContact CB-CE2 3.49Å; R75-Y77 VanDerWaalsContact CB-CE2 3.49Å; R75-Y77 VanDerWaalsContact CB-CZ 3.41Å; R75-Y77 WeakPolarHBondContact CB-OH 3.38Å; R75-Y77 WeakPolarHBondContact CD-OH 3.39Å; R75-Y77 WeakPolarHBondContact O-CE2 3.33Å; R75-T84 HydrophobicContact CB-CG2 4.2Å; R75-T84 HydrophobicContact CG-CG2 4.12Å; R75-T84 PolarHBondContact NH1-OG1 3.09Å; R75-R86 WeakPolarHBondContact CA-O 3.32Å; R75-R87 HydrophobicContact CG-CG 4.39Å
76L96.2Very high92.9Very high10 Ų1040.8 Ų40.85%0.05220%0.201CC..EExtended strand (participates in β ladder)trans-99.5127.9168-175.471.2000107.8Y64 A65 L66 T84 T85 R86 F88 F100Y64-L76 HydrophobicContact CD1-CD1 4.38Å; Y64-L76 HydrophobicContact CD1-CD2 4.43Å; Y64-L76 HydrophobicContact CD1-CG 4.19Å; Y64-L76 HydrophobicContact CG-CD1 4.33Å; A65-L76 CarbonylContact O-C 3.56Å; A65-L76 WeakPolarHBondContact O-CA 3.49Å; L66-L76 HydrophobicContact CB-CD1 4.42Å; L76-T84 CarbonylContact O-C 3.57Å; L76-T84 WeakPolarHBondContact O-CA 3.27Å; L76-T84 WeakPolarHBondContact O-CG2 3.43Å; L76-T85 WeakPolarHBondContact CD2-OG1 3.46Å; L76-T85 WeakPolarHBondContact CG-OG1 3.5Å; L76-T85 PolarHBondContact O-N 3.14Å; L76-T85 PolarHBondContact O-OG1 2.84Å; L76-R86 HydrophobicContact CB-CB 4.05Å; L76-R86 HydrophobicContact CD2-CB 4.45Å; L76-R86 HydrophobicContact CD2-CG 4.26Å; L76-R86 PolarHBondContact N-O 3.04Å; L76-R86 PolarHBondContact O-N 2.94Å; L76-F88 HydrophobicContact CB-CE2 3.76Å; L76-F88 HydrophobicContact CB-CZ 4.23Å; L76-F100 HydrophobicContact CD1-CE1 3.94Å; L76-F100 HydrophobicContact CD1-CZ 3.47Å; L76-F100 VanDerWaalsContact CD1-CZ 3.47Å
77Y93Very high93.2Very high1 Ų147.7 Ų47.70%0.00423%0.227CC..EExtended strand (participates in β ladder)trans-117.1140.3178.7-50.3-97.6000109.6L27 L46 H49 Y64 A65 S67 R75 K83 T84L27-Y77 HydrophobicContact CD1-CD2 4.37Å; L27-Y77 HydrophobicContact CD1-CE2 3.73Å; L46-Y77 HydrophobicContact CB-CD1 3.85Å; L46-Y77 HydrophobicContact CB-CE1 3.96Å; L46-Y77 HydrophobicContact CB-CG 4.27Å; L46-Y77 HydrophobicContact CD1-CD1 4.37Å; L46-Y77 HydrophobicContact CD1-CD2 4.15Å; L46-Y77 HydrophobicContact CD1-CG 3.94Å; H49-Y77 PolarHBondContact CD2-OH 2.91Å; H49-Y77 VanDerWaalsContact CD2-OH 3.26Å; Y64-Y77 CarbonylContact C-O 3.53Å; Y64-Y77 WeakPolarHBondContact CA-O 3.3Å; Y64-Y77 WeakPolarHBondContact CB-O 3.46Å; Y64-Y77 WeakPolarHBondContact CD1-O 3.18Å; A65-Y77 HydrophobicContact CB-CD2 4.16Å; A65-Y77 PolarHBondContact N-O 3.07Å; A65-Y77 PolarHBondContact O-N 2.76Å; S67-Y77 VanDerWaalsContact OG-CE2 3.27Å; S67-Y77 WeakPolarHBondContact OG-CE2 3.36Å; S67-Y77 PolarHBondContact OG-OH 3.08Å; R75-Y77 HydrophobicContact CB-CD2 4.32Å; R75-Y77 HydrophobicContact CB-CE1 4.18Å; R75-Y77 HydrophobicContact CB-CE2 3.49Å; R75-Y77 VanDerWaalsContact CB-CE2 3.49Å; R75-Y77 VanDerWaalsContact CB-CZ 3.41Å; R75-Y77 WeakPolarHBondContact CB-OH 3.38Å; R75-Y77 WeakPolarHBondContact CD-OH 3.39Å; R75-Y77 WeakPolarHBondContact O-CE2 3.33Å; Y77-K83 VanDerWaalsContact CA-O 3.31Å; Y77-K83 WeakPolarHBondContact CA-O 3.23Å; Y77-T84 WeakPolarHBondContact CD1-OG1 3.48Å; Y77-T84 WeakPolarHBondContact CE1-OG1 3.4Å
78D92Very high93.5Very high33 Ų3347.7 Ų47.718%0.17623%0.227CC..EExtended strand (participates in β ladder)trans-80.5122.5164.4173.1-59.3000107.9Y64 E80 T81 G82 K83 T85Y64-D78 HydrophobicContact CD1-CB 4.44Å; Y64-D78 HydrophobicContact CE1-CB 4.25Å; D78-E80 PolarHBondContact OD1-N 3.05Å; D78-E80 VanDerWaalsContact OD1-N 3.15Å; D78-T81 WeakPolarHBondContact CB-OG1 3.39Å; D78-T81 VanDerWaalsContact CG-OG1 3.23Å; D78-T81 WeakPolarHBondContact OD1-CB 3.14Å; D78-T81 WeakPolarHBondContact OD1-CG2 3.27Å; D78-T81 PolarHBondContact OD1-N 2.91Å; D78-T81 PolarHBondContact OD1-OG1 3.2Å; D78-G82 WeakPolarHBondContact O-CA 3.43Å; D78-G82 PolarHBondContact O-N 3.28Å; D78-K83 PolarHBondContact N-O 3.2Å; D78-T85 HydrophobicContact CB-CG2 3.56Å
79L85.9Confident93.9Very high18 Ų1851 Ų519%0.09425%0.25CC..THydrogen-bonded Turntrans-76.6-27.5-173-77171.3000113.2L16 V29 L46 M58 G62 L63 A65L16-L79 HydrophobicContact CD1-CD2 4.49Å; L16-L79 HydrophobicContact CD2-CD2 4.16Å; V29-L79 HydrophobicContact CG2-CD2 4.12Å; L46-L79 HydrophobicContact CD1-CD2 4.21Å; M58-L79 HydrophobicContact CG-CD1 3.92Å; M58-L79 HydrophobicContact SD-CD1 3.36Å; M58-L79 WeakPolarHBondContact SD-CD1 3.36Å; G62-L79 WeakPolarHBondContact O-CD1 3.41Å; L63-L79 WeakPolarHBondContact O-CB 3.4Å; L63-L79 PolarHBondContact O-N 3.29Å; A65-L79 HydrophobicContact CB-CD2 3.9Å; A65-L79 HydrophobicContact CB-CG 4.26Å
80E88.3Confident94.2Very high164 Ų16452.5 Ų52.577%0.76627%0.266SS*.THydrogen-bonded Turntrans-67-48.4176.6-176179.6176.400110.5R44 D78R44-E80 PolarHBondContact NH2-O 3.4Å; R44-E80 VanDerWaalsContact NH2-O 3.15Å; D78-E80 PolarHBondContact OD1-N 3.05Å; D78-E80 VanDerWaalsContact OD1-N 3.15Å
81T90.9Very high94.5Very high63 Ų6349.7 Ų49.739%0.38726%0.255SS..THydrogen-bonded Turntrans-90.3-22.6-176.265.30000113.5R44 D78 K83R44-T81 PolarHBondContact NH1-O 2.91Å; D78-T81 WeakPolarHBondContact CB-OG1 3.39Å; D78-T81 VanDerWaalsContact CG-OG1 3.23Å; D78-T81 WeakPolarHBondContact OD1-CB 3.14Å; D78-T81 WeakPolarHBondContact OD1-CG2 3.27Å; D78-T81 PolarHBondContact OD1-N 2.91Å; D78-T81 PolarHBondContact OD1-OG1 3.2Å; T81-K83 PolarHBondContact O-N 2.81Å; T81-K83 PolarHBondContact OG1-N 2.85Å
82G85.2Confident94.7Very high14 Ų1455.9 Ų55.914%0.14428%0.283CS..  trans75.16.8-173.200000115.2D78D78-G82 WeakPolarHBondContact O-CA 3.43Å; D78-G82 PolarHBondContact O-N 3.28Å
83K92.8Very high94.7Very high148 Ų14859.9 Ų59.964%0.64330%0.297SS*.  trans-92.1144.1-173.1-66.9-178.6179.6175.90110.9Y77 D78 T81 T85Y77-K83 VanDerWaalsContact CA-O 3.31Å; Y77-K83 WeakPolarHBondContact CA-O 3.23Å; D78-K83 PolarHBondContact N-O 3.2Å; T81-K83 PolarHBondContact O-N 2.81Å; T81-K83 PolarHBondContact OG1-N 2.85Å; K83-T85 PolarHBondContact O-N 3.4Å
84T94.3Very high94.6Very high45 Ų4559.6 Ų59.628%0.27630%0.296SS..EExtended strand (participates in β ladder)trans-65.8119.2166.3-58.70000109.3R75 L76 Y77 R86R75-T84 HydrophobicContact CB-CG2 4.2Å; R75-T84 HydrophobicContact CG-CG2 4.12Å; R75-T84 PolarHBondContact NH1-OG1 3.09Å; L76-T84 CarbonylContact O-C 3.57Å; L76-T84 WeakPolarHBondContact O-CA 3.27Å; L76-T84 WeakPolarHBondContact O-CG2 3.43Å; Y77-T84 WeakPolarHBondContact CD1-OG1 3.48Å; Y77-T84 WeakPolarHBondContact CE1-OG1 3.4Å; T84-R86 WeakPolarHBondContact CG2-O 3.26Å
85T96.3Very high94.5Very high57 Ų5759.6 Ų59.635%0.3530%0.296SS..EExtended strand (participates in β ladder)trans-87.1-34.7173.856.90000111.5Y64 L76 D78 K83Y64-T85 HydrophobicContact CE1-CG2 4.36Å; L76-T85 WeakPolarHBondContact CD2-OG1 3.46Å; L76-T85 WeakPolarHBondContact CG-OG1 3.5Å; L76-T85 PolarHBondContact O-N 3.14Å; L76-T85 PolarHBondContact O-OG1 2.84Å; D78-T85 HydrophobicContact CB-CG2 3.56Å; K83-T85 PolarHBondContact O-N 3.4Å
86R97.3Very high94.4Very high118 Ų11858.5 Ų58.545%0.44529%0.293SS..EExtended strand (participates in β ladder)trans-143.6147.6179.8-59.4-70.2178-175.3-4.3112.1R75 L76 T84 F88 T121R75-R86 WeakPolarHBondContact CA-O 3.32Å; L76-R86 HydrophobicContact CB-CB 4.05Å; L76-R86 HydrophobicContact CD2-CB 4.45Å; L76-R86 HydrophobicContact CD2-CG 4.26Å; L76-R86 PolarHBondContact N-O 3.04Å; L76-R86 PolarHBondContact O-N 2.94Å; T84-R86 WeakPolarHBondContact CG2-O 3.26Å; R86-F88 HydrophobicContact CB-CE2 3.76Å; R86-F88 HydrophobicContact CB-CZ 4.09Å; R86-T121 WeakPolarHBondContact CG-O 3.41Å
87R97.6Very high94.3Very high144 Ų14458.1 Ų58.154%0.54329%0.29SS..EExtended strand (participates in β ladder)trans-121.6129.8169.8-174.8179.465.5179-0.7108.8L74 R75L74-R87 WeakPolarHBondContact O-CA 3.41Å; R75-R87 HydrophobicContact CG-CG 4.39Å
88F98.5Very high94.4Very high0 Ų058 Ų580%029%0.29CS..EExtended strand (participates in β ladder)trans-105.1116.2-176.3-54.6-113.1000107.7L66 T73 L74 L76 R86 I107 W119 N120L66-F88 HydrophobicContact CD1-CE2 4.25Å; T73-F88 WeakPolarHBondContact CA-O 3.2Å; T73-F88 WeakPolarHBondContact CB-O 3.21Å; L74-F88 HydrophobicContact CB-CB 3.88Å; L74-F88 HydrophobicContact CB-CD2 3.89Å; L74-F88 HydrophobicContact CB-CG 4.07Å; L74-F88 HydrophobicContact CD1-CB 4.04Å; L74-F88 HydrophobicContact CD2-CB 4.49Å; L74-F88 HydrophobicContact CD2-CG 4.48Å; L74-F88 HydrophobicContact CG-CB 4.36Å; L74-F88 PolarHBondContact N-O 3.37Å; L74-F88 PolarHBondContact O-N 2.7Å; L76-F88 HydrophobicContact CB-CE2 3.76Å; L76-F88 HydrophobicContact CB-CZ 4.23Å; R86-F88 HydrophobicContact CB-CE2 3.76Å; R86-F88 HydrophobicContact CB-CZ 4.09Å; F88-I107 HydrophobicContact CE1-CD1 3.68Å; F88-I107 HydrophobicContact CE2-CD1 4.4Å; F88-I107 HydrophobicContact CZ-CD1 3.47Å; F88-I107 VanDerWaalsContact CZ-CD1 3.47Å; F88-W119 HydrophobicContact CB-CD2 4.38Å; F88-W119 HydrophobicContact CB-CE3 4.12Å; F88-W119 HydrophobicContact CB-CH2 4.44Å; F88-W119 HydrophobicContact CB-CZ3 4.15Å; F88-W119 HydrophobicContact CD1-CB 3.89Å; F88-W119 AromaticContact CD1-CD2 3.94Å; F88-W119 HydrophobicContact CD1-CD2 3.94Å; F88-W119 AromaticContact CD1-CE3 3.93Å; F88-W119 HydrophobicContact CD1-CE3 3.93Å; F88-W119 AromaticContact CD1-CG 3.93Å; F88-W119 HydrophobicContact CD1-CG 3.93Å; F88-W119 HydrophobicContact CE1-CB 4.03Å; F88-W119 HydrophobicContact CE1-CG 4.5Å; F88-N120 WeakPolarHBondContact CE1-O 3.01Å
89C98Very high94.6Very high70 Ų7056.7 Ų56.747%0.47328%0.284SS..  trans-115.7137-176.8-54.10000108.8
90G97.5Very high95Very high32 Ų3257 Ų5733%0.3329%0.285SS..  trans157.8-29173.800000114.3R117G90-R117 VanDerWaalsContact C-NH1 3.29Å; G90-R117 PolarHBondContact O-NH1 3.32Å; G90-R117 PolarHBondContact O-NH2 2.93Å
91H98.6Very high95.3Very high12 Ų1249.7 Ų49.76%0.05625%0.251CS..  trans-64.3143.1170.2-81.7-62.7000110.7V95 S109 S111 D113 T115 W119H91-V95 HydrophobicContact CB-CG2 4.11Å; H91-S109 PolarHBondContact CD2-OG 2.54Å; H91-S109 PolarHBondContact NE2-OG 2.63Å; H91-S111 VanDerWaalsContact CE1-CB 3.43Å; H91-S111 WeakPolarHBondContact CE1-CB 3.31Å; H91-S111 WeakPolarHBondContact ND1-CB 3.3Å; H91-D113 VanDerWaalsContact CA-OD2 3.27Å; H91-D113 WeakPolarHBondContact CA-OD2 3.33Å; H91-D113 WeakPolarHBondContact CB-OD2 3.49Å; H91-D113 IonicContact CE1-OD1 2.85Å; H91-D113 IonicContact CE1-OD2 3.89Å; H91-D113 IonicContact CG-OD2 3.58Å; H91-D113 IonicContact ND1-OD1 2.88Å; H91-D113 PolarHBondContact ND1-OD1 2.86Å; H91-D113 IonicContact ND1-OD2 2.92Å; H91-D113 PolarHBondContact ND1-OD2 3.27Å; H91-T115 PolarHBondContact CE1-O 2.73Å; H91-T115 PolarHBondContact CE1-OG1 2.92Å; H91-T115 PolarHBondContact ND1-OG1 3.13Å; H91-W119 AromaticContact CD2-CZ2 3.94Å
92E98.3Very high95.2Very high162 Ų16249 Ų4976%0.75725%0.252SS*.SBendtrans-94-16.4-176.3-63.8-177.3176.200112.5D113E92-D113 HydrophobicContact CB-CB 4.2Å; E92-D113 PolarHBondContact N-OD2 3.34Å
93K98.2Very high95.5Very high112 Ų11252 Ų5249%0.48726%0.264SS..SBendtrans-136.9176.9178.4-61.2-175.9178.91750110.1S72 V95 S111 R112 D113S72-K93 WeakPolarHBondContact CA-O 3.43Å; S72-K93 WeakPolarHBondContact CB-O 3.43Å; S72-K93 WeakPolarHBondContact OG-CA 3.3Å; S72-K93 PolarHBondContact OG-O 2.74Å; K93-V95 PolarHBondContact O-N 3.31Å; K93-S111 PolarHBondContact O-OG 3.33Å; K93-S111 VanDerWaalsContact O-OG 3.08Å; K93-R112 HydrophobicContact CB-CB 3.77Å; K93-R112 HydrophobicContact CD-CB 4.24Å; K93-D113 HydrophobicContact CB-CB 4.12Å; K93-D113 HydrophobicContact CG-CB 4.23Å
94S94.8Very high95.4Very high14 Ų1446.1 Ų46.110%0.09824%0.24CC..  trans-44.4121.5179.2-49.10000112.1S111 R112S94-S111 WeakPolarHBondContact O-CA 3.08Å; S94-S111 PolarHBondContact O-OG 3.39Å; S94-S111 VanDerWaalsContact O-OG 3.07Å; S94-R112 PolarHBondContact O-N 2.78Å; S94-R112 PolarHBondContact OG-NH1 2.84Å
95V95.8Very high95.3Very high0 Ų052.7 Ų52.70%026%0.26CS..EExtended strand (participates in β ladder)trans-68135.7163.5-176.10000106.2S54 S69 L74 H91 K93 V98S54-V95 WeakPolarHBondContact CB-O 3.03Å; S54-V95 PolarHBondContact OG-O 3.44Å; S69-V95 PolarHBondContact O-N 3.26Å; L74-V95 HydrophobicContact CD1-CG1 4.27Å; L74-V95 HydrophobicContact CD1-CG2 3.86Å; L74-V95 HydrophobicContact CG-CG1 4.28Å; H91-V95 HydrophobicContact CB-CG2 4.11Å; K93-V95 PolarHBondContact O-N 3.31Å; V95-V98 HydrophobicContact CG1-CG1 3.95Å
96L92.1Very high95.3Very high12 Ų1252.2 Ų52.26%0.06325%0.254CS..EExtended strand (participates in β ladder)trans-114.7-24.8-178.1-65.6-175000112.5L2 S54 G110 R112 W137L2-L96 HydrophobicContact CD1-CD1 4.26Å; L2-L96 HydrophobicContact CD1-CD2 4.34Å; S54-L96 WeakPolarHBondContact OG-CA 3.33Å; S54-L96 PolarHBondContact OG-O 3.26Å; L96-G110 PolarHBondContact N-O 3.12Å; L96-R112 HydrophobicContact CD1-CG 3.68Å; L96-R112 HydrophobicContact CD2-CG 4.09Å; L96-R112 HydrophobicContact CG-CG 3.92Å; L96-W137 HydrophobicContact CD1-CB 4.29Å
97S94.8Very high95.4Very high1 Ų146.6 Ų46.61%0.00723%0.233CC..EExtended strand (participates in β ladder)trans-151.8148.8179.1-1730000112.1D55 S109 G110 V141 R142D55-S97 WeakPolarHBondContact OD2-CA 3.43Å; D55-S97 WeakPolarHBondContact OD2-CB 3.46Å; D55-S97 PolarHBondContact OD2-OG 3.45Å; S97-S109 CarbonylContact O-C 3.39Å; S97-S109 VanDerWaalsContact O-CA 3.22Å; S97-S109 WeakPolarHBondContact O-CA 3.33Å; S97-G110 PolarHBondContact N-O 3.47Å; S97-G110 PolarHBondContact O-N 3.42Å; S97-V141 PolarHBondContact OG-N 3.45Å; S97-R142 PolarHBondContact OG-NH1 2.86Å
98V95.7Very high95.4Very high0 Ų039.8 Ų39.80%021%0.207CC..EExtended strand (participates in β ladder)trans-136.4153.1178.7-65.60000110.4D55 V57 L66 L74 V95 V108 R142D55-V98 HydrophobicContact CB-CG2 4.17Å; D55-V98 PolarHBondContact OD2-N 3.22Å; V57-V98 HydrophobicContact CG1-CG2 4.39Å; V57-V98 VanDerWaalsContact CG1-O 3.3Å; V57-V98 WeakPolarHBondContact CG1-O 3.31Å; V57-V98 HydrophobicContact CG2-CG2 4.07Å; L66-V98 HydrophobicContact CD2-CB 3.8Å; L66-V98 HydrophobicContact CD2-CG1 4.49Å; L66-V98 HydrophobicContact CD2-CG2 4.21Å; L66-V98 HydrophobicContact CG-CB 4.06Å; L66-V98 HydrophobicContact CG-CG1 4.48Å; L66-V98 HydrophobicContact CG-CG2 4.09Å; L74-V98 HydrophobicContact CD2-CG1 3.62Å; L74-V98 HydrophobicContact CG-CG1 3.79Å; V95-V98 HydrophobicContact CG1-CG1 3.95Å; V98-V108 CarbonylContact C-O 3.58Å; V98-V108 WeakPolarHBondContact CA-O 3.35Å; V98-R142 PolarHBondContact O-NH1 2.96Å
99A95.2Very high95.4Very high5 Ų539.8 Ų39.84%0.04121%0.207CC..EExtended strand (participates in β ladder)trans-153150.9172.100000111.8I107 V108 V141 F143A99-I107 WeakPolarHBondContact O-CA 2.72Å; A99-V108 HydrophobicContact CB-CG1 3.95Å; A99-V108 PolarHBondContact N-O 3.11Å; A99-V108 PolarHBondContact O-N 3.27Å; A99-V141 HydrophobicContact CB-CG2 4.5Å; A99-F143 HydrophobicContact CB-CD2 4.07Å
100F94.4Very high95.4Very high25 Ų2536.4 Ų36.411%0.1118%0.184CC..EExtended strand (participates in β ladder)trans-91.9149.6166.1-75.5-74.7000111V57 L66 L76 I107 F143V57-F100 HydrophobicContact CG2-CD2 3.59Å; V57-F100 HydrophobicContact CG2-CE2 3.89Å; L66-F100 HydrophobicContact CB-CD2 4.26Å; L66-F100 HydrophobicContact CB-CE1 4.4Å; L66-F100 HydrophobicContact CB-CE2 3.39Å; L66-F100 HydrophobicContact CB-CZ 3.5Å; L66-F100 VanDerWaalsContact CB-CZ 3.5Å; L66-F100 HydrophobicContact CD2-CD2 4.47Å; L66-F100 HydrophobicContact CD2-CE1 4.48Å; L66-F100 HydrophobicContact CD2-CE2 4.27Å; L66-F100 HydrophobicContact CD2-CZ 4.29Å; L66-F100 HydrophobicContact CG-CE2 4.48Å; L66-F100 HydrophobicContact CG-CZ 4.45Å; L76-F100 HydrophobicContact CD1-CE1 3.94Å; L76-F100 HydrophobicContact CD1-CZ 3.47Å; L76-F100 VanDerWaalsContact CD1-CZ 3.47Å; F100-I107 HydrophobicContact CD1-CD1 4.35Å; F100-I107 HydrophobicContact CD1-CG1 3.72Å; F100-I107 HydrophobicContact CE1-CD1 3.86Å; F100-I107 HydrophobicContact CE1-CG1 3.75Å; F100-F143 WeakPolarHBondContact O-CD2 3.07Å
101S94.7Very high95.5Very high10 Ų1034.9 Ų34.97%0.0717%0.169CC..  trans-68.1156.1158.957.80000110.6D103 N104 R105 Q106 F143S101-D103 WeakPolarHBondContact CB-OD1 3.39Å; S101-D103 PolarHBondContact O-N 3.18Å; S101-D103 VanDerWaalsContact O-N 3.17Å; S101-D103 PolarHBondContact OG-OD1 3.48Å; S101-N104 WeakPolarHBondContact O-CA 2.65Å; S101-N104 PolarHBondContact O-N 2.91Å; S101-R105 PolarHBondContact OG-N 2.93Å; S101-Q106 PolarHBondContact N-O 2.92Å; S101-Q106 PolarHBondContact OG-N 2.94Å; S101-Q106 PolarHBondContact OG-O 3.04Å; S101-F143 VanDerWaalsContact N-CD2 3.35Å
102A90.2Very high95.5Very high48 Ų4836 Ų3640%0.39717%0.172SC..THydrogen-bonded Turntrans-57.9-32.2-177.600000113.6S60 N104S60-A102 PolarHBondContact OG-O 3.25Å; A102-N104 VanDerWaalsContact C-N 3.31Å
103D90.4Very high95.5Very high76 Ų7629.3 Ų29.341%0.40614%0.142SC..THydrogen-bonded Turntrans-84.73.7176.971.7-10.1000114.2S101 R105S101-D103 WeakPolarHBondContact CB-OD1 3.39Å; S101-D103 PolarHBondContact O-N 3.18Å; S101-D103 VanDerWaalsContact O-N 3.17Å; S101-D103 PolarHBondContact OG-OD1 3.48Å; D103-R105 HydrophobicContact CB-CG 4.36Å; D103-R105 WeakPolarHBondContact O-CG 2.81Å; D103-R105 PolarHBondContact O-N 3.01Å; D103-R105 VanDerWaalsContact O-N 3.11Å; D103-R105 PolarHBondContact OD1-N 3.28Å; D103-R105 VanDerWaalsContact OD2-CD 3.32Å; D103-R105 WeakPolarHBondContact OD2-CD 3.34Å
104N91.4Very high95.5Very high26 Ų2628.4 Ų28.414%0.13914%0.138CC..SBendtrans57.515.4-176-57.4-37000115.5S60 D61 S101 A102 T121S60-N104 PolarHBondContact N-ND2 2.81Å; S60-N104 PolarHBondContact N-OD1 3.3Å; S60-N104 VanDerWaalsContact OG-CG 3.29Å; S60-N104 PolarHBondContact OG-ND2 3.27Å; S60-N104 PolarHBondContact OG-OD1 2.76Å; D61-N104 PolarHBondContact OD2-ND2 2.78Å; S101-N104 WeakPolarHBondContact O-CA 2.65Å; S101-N104 PolarHBondContact O-N 2.91Å; A102-N104 VanDerWaalsContact C-N 3.31Å; N104-T121 WeakPolarHBondContact O-CG2 3.15Å
105R92.4Very high95.7Very high182 Ų18228.9 Ų28.969%0.68714%0.14SC*.SBendtrans-91.1-20.1-176.8-63.6-173.9179.6-176.9-2.6114S101 D103S101-R105 PolarHBondContact OG-N 2.93Å; D103-R105 HydrophobicContact CB-CG 4.36Å; D103-R105 WeakPolarHBondContact O-CG 2.81Å; D103-R105 PolarHBondContact O-N 3.01Å; D103-R105 VanDerWaalsContact O-N 3.11Å; D103-R105 PolarHBondContact OD1-N 3.28Å; D103-R105 VanDerWaalsContact OD2-CD 3.32Å; D103-R105 WeakPolarHBondContact OD2-CD 3.34Å
106Q95.6Very high95.8Very high48 Ų4828.9 Ų28.922%0.22414%0.14CC..EExtended strand (participates in β ladder)trans-127150-177.6-52.8-171.516.800110.5S101 L118 W119 F143S101-Q106 PolarHBondContact N-O 2.92Å; S101-Q106 PolarHBondContact OG-N 2.94Å; S101-Q106 PolarHBondContact OG-O 3.04Å; Q106-L118 HydrophobicContact CB-CD1 4.27Å; Q106-W119 WeakPolarHBondContact CA-O 3.39Å; Q106-F143 HydrophobicContact CB-CE1 4.19Å; Q106-F143 HydrophobicContact CB-CZ 3.81Å
107I98.3Very high96.1Very high0 Ų030.1 Ų30.10%014%0.144CC..EExtended strand (participates in β ladder)trans-126.4140.9176.9-69.4166.1000107.2L66 L74 F88 A99 F100 L118 W119 T121L66-I107 HydrophobicContact CD1-CD1 4.15Å; L66-I107 HydrophobicContact CD1-CG2 4.28Å; L66-I107 HydrophobicContact CD2-CB 4.27Å; L66-I107 HydrophobicContact CD2-CD1 4.21Å; L66-I107 HydrophobicContact CD2-CG1 3.98Å; L66-I107 HydrophobicContact CD2-CG2 3.4Å; L66-I107 VanDerWaalsContact CD2-CG2 3.4Å; L66-I107 HydrophobicContact CG-CG2 4.48Å; L74-I107 HydrophobicContact CD2-CG2 3.92Å; F88-I107 HydrophobicContact CE1-CD1 3.68Å; F88-I107 HydrophobicContact CE2-CD1 4.4Å; F88-I107 HydrophobicContact CZ-CD1 3.47Å; F88-I107 VanDerWaalsContact CZ-CD1 3.47Å; A99-I107 WeakPolarHBondContact O-CA 2.72Å; F100-I107 HydrophobicContact CD1-CD1 4.35Å; F100-I107 HydrophobicContact CD1-CG1 3.72Å; F100-I107 HydrophobicContact CE1-CD1 3.86Å; F100-I107 HydrophobicContact CE1-CG1 3.75Å; I107-L118 CarbonylContact O-C 3.57Å; I107-L118 WeakPolarHBondContact O-CA 3.26Å; I107-W119 HydrophobicContact CB-CB 4.18Å; I107-W119 HydrophobicContact CG2-CG 4.48Å; I107-W119 PolarHBondContact N-O 3.33Å; I107-W119 PolarHBondContact O-N 2.85Å; I107-T121 HydrophobicContact CD1-CG2 4.42Å
108V98.6Very high96.3Very high0 Ų030.4 Ų30.40%015%0.145CC..EExtended strand (participates in β ladder)trans-125.3144.7170.371.10000110.1V98 A99 R117 L118 F129 V141 F143 V152V98-V108 CarbonylContact C-O 3.58Å; V98-V108 WeakPolarHBondContact CA-O 3.35Å; A99-V108 HydrophobicContact CB-CG1 3.95Å; A99-V108 PolarHBondContact N-O 3.11Å; A99-V108 PolarHBondContact O-N 3.27Å; V108-R117 CarbonylContact C-O 3.58Å; V108-R117 VanDerWaalsContact CA-O 3.26Å; V108-R117 WeakPolarHBondContact CA-O 3.22Å; V108-R117 WeakPolarHBondContact CG2-O 3.08Å; V108-L118 HydrophobicContact CB-CD1 4.48Å; V108-F129 HydrophobicContact CG2-CE2 4.22Å; V108-V141 HydrophobicContact CG1-CB 4.06Å; V108-V141 HydrophobicContact CG1-CG2 3.8Å; V108-F143 HydrophobicContact CB-CD2 4.43Å; V108-F143 HydrophobicContact CB-CE2 3.64Å; V108-F143 HydrophobicContact CB-CZ 3.91Å; V108-F143 HydrophobicContact CG1-CD2 3.66Å; V108-F143 HydrophobicContact CG1-CE2 3.33Å; V108-F143 HydrophobicContact CG1-CZ 4.04Å; V108-V152 HydrophobicContact CB-CG2 4.34Å; V108-V152 HydrophobicContact CG1-CG1 4.3Å; V108-V152 HydrophobicContact CG1-CG2 4.25Å; V108-V152 HydrophobicContact CG2-CG1 4.02Å; V108-V152 HydrophobicContact CG2-CG2 4.28Å
109S98.7Very high96.4Very high0 Ų030.4 Ų30.40%015%0.146CC..EExtended strand (participates in β ladder)trans-132.1151.1173.150.50000112.4H91 S97 A116 R117 W119H91-S109 PolarHBondContact CD2-OG 2.54Å; H91-S109 PolarHBondContact NE2-OG 2.63Å; S97-S109 CarbonylContact O-C 3.39Å; S97-S109 VanDerWaalsContact O-CA 3.22Å; S97-S109 WeakPolarHBondContact O-CA 3.33Å; S109-A116 CarbonylContact O-C 3.53Å; S109-A116 WeakPolarHBondContact O-CA 3.39Å; S109-A116 WeakPolarHBondContact O-CB 3.19Å; S109-R117 PolarHBondContact N-O 3.22Å; S109-R117 PolarHBondContact O-N 3.4Å; S109-W119 PolarHBondContact OG-NE1 3.16Å
110G98.4Very high96.5Very high0 Ų031.5 Ų31.50%015%0.151CC..EExtended strand (participates in β ladder)trans-120.8144.817000000111.2L96 S97L96-G110 PolarHBondContact N-O 3.12Å; S97-G110 PolarHBondContact N-O 3.47Å; S97-G110 PolarHBondContact O-N 3.42Å
111S98.6Very high96.5Very high0 Ų032.7 Ų32.70%016%0.16CC..EExtended strand (participates in β ladder)trans-138.8162.4-169.51720000114H91 K93 S94 D113 K114 T115 I138H91-S111 VanDerWaalsContact CE1-CB 3.43Å; H91-S111 WeakPolarHBondContact CE1-CB 3.31Å; H91-S111 WeakPolarHBondContact ND1-CB 3.3Å; K93-S111 PolarHBondContact O-OG 3.33Å; K93-S111 VanDerWaalsContact O-OG 3.08Å; S94-S111 WeakPolarHBondContact O-CA 3.08Å; S94-S111 PolarHBondContact O-OG 3.39Å; S94-S111 VanDerWaalsContact O-OG 3.07Å; S111-D113 VanDerWaalsContact CB-OD1 3.27Å; S111-D113 WeakPolarHBondContact CB-OD1 3.2Å; S111-D113 PolarHBondContact O-N 3.4Å; S111-D113 PolarHBondContact OG-N 3.12Å; S111-D113 PolarHBondContact OG-OD1 2.96Å; S111-D113 PolarHBondContact OG-OD2 2.84Å; S111-K114 PolarHBondContact O-N 2.84Å; S111-K114 VanDerWaalsContact O-N 3.16Å; S111-T115 PolarHBondContact N-O 2.73Å; S111-I138 PolarHBondContact O-N 2.85Å
112R98.2Very high96.5Very high34 Ų3436.6 Ų36.613%0.12818%0.18CC..THydrogen-bonded Turntrans-65-13166.4-71.1-168.2176146.81.8113.8K93 S94 L96 K114 W137K93-R112 HydrophobicContact CB-CB 3.77Å; K93-R112 HydrophobicContact CD-CB 4.24Å; S94-R112 PolarHBondContact O-N 2.78Å; S94-R112 PolarHBondContact OG-NH1 2.84Å; L96-R112 HydrophobicContact CD1-CG 3.68Å; L96-R112 HydrophobicContact CD2-CG 4.09Å; L96-R112 HydrophobicContact CG-CG 3.92Å; R112-K114 PolarHBondContact O-N 3.18Å; R112-W137 HydrophobicContact CB-CD2 4.27Å; R112-W137 HydrophobicContact CB-CG 4.08Å; R112-W137 HydrophobicContact CG-CB 4.43Å; R112-W137 HydrophobicContact CG-CD2 3.71Å; R112-W137 HydrophobicContact CG-CE3 4.04Å; R112-W137 HydrophobicContact CG-CG 3.88Å; R112-W137 VanDerWaalsContact O-CD1 3.25Å
113D98.5Very high96.7Very high22 Ų2235 Ų3512%0.11817%0.169CC..THydrogen-bonded Turntrans-76.53.7170.968.621.2000113H91 E92 K93 S111 T115H91-D113 VanDerWaalsContact CA-OD2 3.27Å; H91-D113 WeakPolarHBondContact CA-OD2 3.33Å; H91-D113 WeakPolarHBondContact CB-OD2 3.49Å; H91-D113 IonicContact CE1-OD1 2.85Å; H91-D113 IonicContact CE1-OD2 3.89Å; H91-D113 IonicContact CG-OD2 3.58Å; H91-D113 IonicContact ND1-OD1 2.88Å; H91-D113 PolarHBondContact ND1-OD1 2.86Å; H91-D113 IonicContact ND1-OD2 2.92Å; H91-D113 PolarHBondContact ND1-OD2 3.27Å; E92-D113 HydrophobicContact CB-CB 4.2Å; E92-D113 PolarHBondContact N-OD2 3.34Å; K93-D113 HydrophobicContact CB-CB 4.12Å; K93-D113 HydrophobicContact CG-CB 4.23Å; S111-D113 VanDerWaalsContact CB-OD1 3.27Å; S111-D113 WeakPolarHBondContact CB-OD1 3.2Å; S111-D113 PolarHBondContact O-N 3.4Å; S111-D113 PolarHBondContact OG-N 3.12Å; S111-D113 PolarHBondContact OG-OD1 2.96Å; S111-D113 PolarHBondContact OG-OD2 2.84Å; D113-T115 PolarHBondContact O-N 2.87Å; D113-T115 WeakPolarHBondContact OD1-CB 3.38Å; D113-T115 PolarHBondContact OD1-N 2.57Å; D113-T115 PolarHBondContact OD1-OG1 3.32Å
114K98.6Very high97Very high93 Ų9337.1 Ų37.140%0.40418%0.176SC..SBendtrans72.95.4176.7-42.5175.7173.9-162.50114S111 R112 T135 D136S111-K114 PolarHBondContact O-N 2.84Å; S111-K114 VanDerWaalsContact O-N 3.16Å; R112-K114 PolarHBondContact O-N 3.18Å; K114-T135 WeakPolarHBondContact CD-O 3.49Å; K114-T135 WeakPolarHBondContact CE-O 3.48Å; K114-T135 PolarHBondContact NZ-O 3.01Å; K114-D136 WeakPolarHBondContact CA-O 3.39Å; K114-D136 WeakPolarHBondContact CB-O 3.43Å
115T98.7Very high97.3Very high25 Ų2538.3 Ų38.315%0.15319%0.185CC..  trans-105.1146.8177.872.20000111.1H91 S111 D113 V128 I138H91-T115 PolarHBondContact CE1-O 2.73Å; H91-T115 PolarHBondContact CE1-OG1 2.92Å; H91-T115 PolarHBondContact ND1-OG1 3.13Å; S111-T115 PolarHBondContact N-O 2.73Å; D113-T115 PolarHBondContact O-N 2.87Å; D113-T115 WeakPolarHBondContact OD1-CB 3.38Å; D113-T115 PolarHBondContact OD1-N 2.57Å; D113-T115 PolarHBondContact OD1-OG1 3.32Å; T115-V128 HydrophobicContact CG2-CG1 3.95Å; T115-I138 WeakPolarHBondContact O-CD1 3.47Å
116A98.8Very high97.5Very high0 Ų035.6 Ų35.60%018%0.178CC..EExtended strand (participates in β ladder)trans-99.3150157.200000108.5S109 F129 I138 T154S109-A116 CarbonylContact O-C 3.53Å; S109-A116 WeakPolarHBondContact O-CA 3.39Å; S109-A116 WeakPolarHBondContact O-CB 3.19Å; A116-F129 HydrophobicContact CB-CB 4.22Å; A116-F129 HydrophobicContact CB-CD2 3.63Å; A116-F129 HydrophobicContact CB-CE2 4.44Å; A116-F129 HydrophobicContact CB-CG 4.3Å; A116-F129 WeakPolarHBondContact O-CD2 3.44Å; A116-F129 PolarHBondContact O-N 3.2Å; A116-I138 HydrophobicContact CB-CD1 3.7Å; A116-T154 HydrophobicContact CB-CG2 4.2Å
117R98.8Very high97.6Very high37 Ų3737 Ų3714%0.1418%0.182CC..EExtended strand (participates in β ladder)trans-131.7136.1179.2-69.6-175.3177.1-138.55111.2G90 V108 S109 W119 Y127 V128G90-R117 VanDerWaalsContact C-NH1 3.29Å; G90-R117 PolarHBondContact O-NH1 3.32Å; G90-R117 PolarHBondContact O-NH2 2.93Å; V108-R117 CarbonylContact C-O 3.58Å; V108-R117 VanDerWaalsContact CA-O 3.26Å; V108-R117 WeakPolarHBondContact CA-O 3.22Å; V108-R117 WeakPolarHBondContact CG2-O 3.08Å; S109-R117 PolarHBondContact N-O 3.22Å; S109-R117 PolarHBondContact O-N 3.4Å; R117-W119 HydrophobicContact CB-CD2 4.49Å; R117-W119 HydrophobicContact CB-CZ2 3.56Å; R117-W119 HydrophobicContact CG-CZ2 4.11Å; R117-W119 VanDerWaalsContact O-CD1 3.29Å; R117-W119 PolarHBondContact O-NE1 3.26Å; R117-Y127 WeakPolarHBondContact CA-O 3.42Å; R117-V128 HydrophobicContact CG-CB 4.5Å; R117-V128 HydrophobicContact CG-CG1 4.14Å; R117-V128 HydrophobicContact CG-CG2 4.16Å
118L98.5Very high97.7Very high7 Ų739 Ų394%0.03719%0.194CC..EExtended strand (participates in β ladder)trans-99.7131173.2-171.170.3000109.3Q106 I107 V108 C125 K126 Y127 F129 F143 L166Q106-L118 HydrophobicContact CB-CD1 4.27Å; I107-L118 CarbonylContact O-C 3.57Å; I107-L118 WeakPolarHBondContact O-CA 3.26Å; V108-L118 HydrophobicContact CB-CD1 4.48Å; L118-C125 CarbonylContact O-C 3.57Å; L118-K126 PolarHBondContact O-N 2.92Å; L118-Y127 PolarHBondContact N-O 3.32Å; L118-Y127 PolarHBondContact O-N 3.21Å; L118-F129 HydrophobicContact CB-CE2 3.95Å; L118-F129 HydrophobicContact CB-CZ 4.18Å; L118-F143 HydrophobicContact CD1-CE1 4.25Å; L118-F143 HydrophobicContact CD1-CZ 3.82Å; L118-L166 HydrophobicContact CD1-CD2 4.47Å; L118-L166 HydrophobicContact CD2-CD2 4.35Å
119W98.6Very high97.6Very high1 Ų139.1 Ų39.10%0.00420%0.195CC..EExtended strand (participates in β ladder)trans-126.3153.7-176.6-4179000110.7L74 F88 H91 Q106 I107 S109 R117 H124 C125L74-W119 HydrophobicContact CD1-CZ2 4.17Å; F88-W119 HydrophobicContact CB-CD2 4.38Å; F88-W119 HydrophobicContact CB-CE3 4.12Å; F88-W119 HydrophobicContact CB-CH2 4.44Å; F88-W119 HydrophobicContact CB-CZ3 4.15Å; F88-W119 HydrophobicContact CD1-CB 3.89Å; F88-W119 AromaticContact CD1-CD2 3.94Å; F88-W119 HydrophobicContact CD1-CD2 3.94Å; F88-W119 AromaticContact CD1-CE3 3.93Å; F88-W119 HydrophobicContact CD1-CE3 3.93Å; F88-W119 AromaticContact CD1-CG 3.93Å; F88-W119 HydrophobicContact CD1-CG 3.93Å; F88-W119 HydrophobicContact CE1-CB 4.03Å; F88-W119 HydrophobicContact CE1-CG 4.5Å; H91-W119 AromaticContact CD2-CZ2 3.94Å; Q106-W119 WeakPolarHBondContact CA-O 3.39Å; I107-W119 HydrophobicContact CB-CB 4.18Å; I107-W119 HydrophobicContact CG2-CG 4.48Å; I107-W119 PolarHBondContact N-O 3.33Å; I107-W119 PolarHBondContact O-N 2.85Å; S109-W119 PolarHBondContact OG-NE1 3.16Å; R117-W119 HydrophobicContact CB-CD2 4.49Å; R117-W119 HydrophobicContact CB-CZ2 3.56Å; R117-W119 HydrophobicContact CG-CZ2 4.11Å; R117-W119 VanDerWaalsContact O-CD1 3.29Å; R117-W119 PolarHBondContact O-NE1 3.26Å; W119-H124 VanDerWaalsContact CA-O 3.28Å; W119-H124 WeakPolarHBondContact CA-O 3.37Å; W119-C125 HydrophobicContact CD2-CB 4.37Å; W119-C125 HydrophobicContact CE3-CB 3.64Å; W119-C125 HydrophobicContact CH2-CB 4.18Å; W119-C125 HydrophobicContact CZ3-CB 3.53Å
120N96.1Very high97.4Very high27 Ų2743.6 Ų43.614%0.14422%0.222CC..EExtended strand (participates in β ladder)trans-86166.4157.568.213000110.3F88 L122 G123 H124 K126F88-N120 WeakPolarHBondContact CE1-O 3.01Å; N120-L122 PolarHBondContact O-N 2.91Å; N120-L122 VanDerWaalsContact O-N 3.1Å; N120-L122 WeakPolarHBondContact OD1-CB 3.41Å; N120-L122 PolarHBondContact OD1-N 2.99Å; N120-L122 VanDerWaalsContact OD1-N 3.11Å; N120-G123 PolarHBondContact O-N 2.93Å; N120-G123 PolarHBondContact OD1-N 2.9Å; N120-H124 PolarHBondContact N-O 2.94Å; N120-H124 VanDerWaalsContact N-O 3.08Å; N120-H124 WeakPolarHBondContact OD1-CB 3.48Å; N120-H124 PolarHBondContact OD1-N 3.17Å; N120-H124 PolarHBondContact OD1-O 2.92Å; N120-K126 HydrophobicContact CB-CD 4.34Å
121T93.9Very high97.2Very high51 Ų5149.7 Ų49.731%0.31326%0.255SS..THydrogen-bonded Turntrans-66.8-8.2177.153.80000114.4R86 N104 I107 G123R86-T121 WeakPolarHBondContact CG-O 3.41Å; N104-T121 WeakPolarHBondContact O-CG2 3.15Å; I107-T121 HydrophobicContact CD1-CG2 4.42Å; T121-G123 VanDerWaalsContact C-N 3.32Å
122L95.3Very high97.1Very high91 Ų9151.5 Ų51.548%0.47627%0.274SS..THydrogen-bonded Turntrans-84.8-6175.9-58.8178.6000113.1N120N120-L122 PolarHBondContact O-N 2.91Å; N120-L122 VanDerWaalsContact O-N 3.1Å; N120-L122 WeakPolarHBondContact OD1-CB 3.41Å; N120-L122 PolarHBondContact OD1-N 2.99Å; N120-L122 VanDerWaalsContact OD1-N 3.11Å
123G95Very high97Very high16 Ų1650.7 Ų50.717%0.16528%0.275CS..SBendtrans97.23.6-179.800000114.6N120 T121N120-G123 PolarHBondContact O-N 2.93Å; N120-G123 PolarHBondContact OD1-N 2.9Å; T121-G123 VanDerWaalsContact C-N 3.32Å
124H96.6Very high97Very high120 Ų12050.2 Ų50.256%0.55627%0.272SS*.  trans-86.5127.2-179.6-57.9175000110.5W119 N120 K126W119-H124 VanDerWaalsContact CA-O 3.28Å; W119-H124 WeakPolarHBondContact CA-O 3.37Å; N120-H124 PolarHBondContact N-O 2.94Å; N120-H124 VanDerWaalsContact N-O 3.08Å; N120-H124 WeakPolarHBondContact OD1-CB 3.48Å; N120-H124 PolarHBondContact OD1-N 3.17Å; N120-H124 PolarHBondContact OD1-O 2.92Å; H124-K126 PolarHBondContact O-N 2.57Å
125C97.8Very high97Very high50 Ų5050.4 Ų50.434%0.33828%0.281SS..EExtended strand (participates in β ladder)trans-70.9111.3170.4-169.10000108.7L118 W119L118-C125 CarbonylContact O-C 3.57Å; W119-C125 HydrophobicContact CD2-CB 4.37Å; W119-C125 HydrophobicContact CE3-CB 3.64Å; W119-C125 HydrophobicContact CH2-CB 4.18Å; W119-C125 HydrophobicContact CZ3-CB 3.53Å
126K96.8Very high97Very high125 Ų12551.8 Ų51.854%0.54329%0.288SS..EExtended strand (participates in β ladder)trans-81.3-36.7177.4-76.5-177.6157.8178.80112.2L118 N120 H124L118-K126 PolarHBondContact O-N 2.92Å; N120-K126 HydrophobicContact CB-CD 4.34Å; H124-K126 PolarHBondContact O-N 2.57Å
127Y98Very high97Very high78 Ų7855.1 Ų55.131%0.30630%0.301SS..EExtended strand (participates in β ladder)trans-155.4151.9-175.5-166.9-102000111.8R117 L118 F129 C169R117-Y127 WeakPolarHBondContact CA-O 3.42Å; L118-Y127 PolarHBondContact N-O 3.32Å; L118-Y127 PolarHBondContact O-N 3.21Å; Y127-F129 AromaticContact CD1-CD1 3.79Å; Y127-F129 HydrophobicContact CD1-CD1 3.79Å; Y127-F129 HydrophobicContact CD1-CD2 4.35Å; Y127-F129 AromaticContact CD1-CE1 3.92Å; Y127-F129 HydrophobicContact CD1-CE1 3.92Å; Y127-F129 HydrophobicContact CD1-CE2 4.47Å; Y127-F129 HydrophobicContact CD1-CG 4.02Å; Y127-F129 HydrophobicContact CD1-CZ 4.27Å; Y127-F129 HydrophobicContact CE1-CB 4.46Å; Y127-F129 AromaticContact CE1-CD1 3.71Å; Y127-F129 HydrophobicContact CE1-CD1 3.71Å; Y127-F129 HydrophobicContact CE1-CE1 4.16Å; Y127-F129 HydrophobicContact CE1-CG 4.11Å; Y127-C169 HydrophobicContact CD1-CB 3.58Å; Y127-C169 HydrophobicContact CD2-CB 3.96Å; Y127-C169 HydrophobicContact CE1-CB 3.56Å; Y127-C169 HydrophobicContact CE2-CB 3.95Å; Y127-C169 HydrophobicContact CG-CB 3.78Å
128V98.5Very high97Very high41 Ų4153.4 Ų53.425%0.24829%0.294CS..EExtended strand (participates in β ladder)trans-122.2119.9172.5-1710000107.6T115 R117 T130T115-V128 HydrophobicContact CG2-CG1 3.95Å; R117-V128 HydrophobicContact CG-CB 4.5Å; R117-V128 HydrophobicContact CG-CG1 4.14Å; R117-V128 HydrophobicContact CG-CG2 4.16Å; V128-T130 HydrophobicContact CB-CG2 4.37Å; V128-T130 HydrophobicContact CG1-CG2 3.85Å; V128-T130 PolarHBondContact O-N 2.95Å
129F97.6Very high96.9Very high3 Ų353.5 Ų53.51%0.01330%0.295CS..EExtended strand (participates in β ladder)trans-77.489.2-177-61-85.4000110.5V108 A116 L118 Y127 W164 L166 C169V108-F129 HydrophobicContact CG2-CE2 4.22Å; A116-F129 HydrophobicContact CB-CB 4.22Å; A116-F129 HydrophobicContact CB-CD2 3.63Å; A116-F129 HydrophobicContact CB-CE2 4.44Å; A116-F129 HydrophobicContact CB-CG 4.3Å; A116-F129 WeakPolarHBondContact O-CD2 3.44Å; A116-F129 PolarHBondContact O-N 3.2Å; L118-F129 HydrophobicContact CB-CE2 3.95Å; L118-F129 HydrophobicContact CB-CZ 4.18Å; Y127-F129 AromaticContact CD1-CD1 3.79Å; Y127-F129 HydrophobicContact CD1-CD1 3.79Å; Y127-F129 HydrophobicContact CD1-CD2 4.35Å; Y127-F129 AromaticContact CD1-CE1 3.92Å; Y127-F129 HydrophobicContact CD1-CE1 3.92Å; Y127-F129 HydrophobicContact CD1-CE2 4.47Å; Y127-F129 HydrophobicContact CD1-CG 4.02Å; Y127-F129 HydrophobicContact CD1-CZ 4.27Å; Y127-F129 HydrophobicContact CE1-CB 4.46Å; Y127-F129 AromaticContact CE1-CD1 3.71Å; Y127-F129 HydrophobicContact CE1-CD1 3.71Å; Y127-F129 HydrophobicContact CE1-CE1 4.16Å; Y127-F129 HydrophobicContact CE1-CG 4.11Å; F129-W164 HydrophobicContact CB-CD2 4.4Å; F129-W164 HydrophobicContact CB-CE3 4.24Å; F129-W164 HydrophobicContact CB-CH2 4.1Å; F129-W164 HydrophobicContact CB-CZ2 4.25Å; F129-W164 HydrophobicContact CB-CZ3 4.08Å; F129-W164 HydrophobicContact CD1-CB 4.21Å; F129-W164 AromaticContact CD1-CD2 3.71Å; F129-W164 HydrophobicContact CD1-CD2 3.71Å; F129-W164 AromaticContact CD1-CE3 3.53Å; F129-W164 HydrophobicContact CD1-CE3 3.53Å; F129-W164 HydrophobicContact CD1-CG 4.02Å; F129-W164 HydrophobicContact CD1-CZ3 4.13Å; F129-W164 HydrophobicContact CE1-CB 3.9Å; F129-W164 HydrophobicContact CE1-CD2 4.32Å; F129-W164 HydrophobicContact CE1-CE3 4.32Å; F129-W164 HydrophobicContact CE1-CG 4.17Å; F129-W164 HydrophobicContact CG-CD2 4.26Å; F129-W164 HydrophobicContact CG-CE3 4.26Å; F129-L166 HydrophobicContact CE1-CD2 4.29Å; F129-L166 HydrophobicContact CZ-CD2 3.87Å; F129-C169 HydrophobicContact CE1-CB 4.27Å
130T94.3Very high96.9Very high94 Ų9453.6 Ų53.658%0.57730%0.296SS*.  trans-108.8-35.9-178.755.30000113.7V128 G132 G133V128-T130 HydrophobicContact CB-CG2 4.37Å; V128-T130 HydrophobicContact CG1-CG2 3.85Å; V128-T130 PolarHBondContact O-N 2.95Å; T130-G132 PolarHBondContact O-N 3.28Å; T130-G133 WeakPolarHBondContact O-CA 3.5Å; T130-G133 PolarHBondContact O-N 3Å
131D95.3Very high97Very high129 Ų12952.3 Ų52.369%0.6929%0.29SS*.THydrogen-bonded Turntrans-70.1118.8-178.3-172.326.3000110.5G133 W164D131-G133 PolarHBondContact O-N 3.29Å; D131-W164 WeakPolarHBondContact O-CZ3 3.46Å
132G95.6Very high97.1Very high38 Ų3852.1 Ų52.139%0.39228%0.283SS..THydrogen-bonded Turntrans60.821.5-167.900000114.4T130 K162T130-G132 PolarHBondContact O-N 3.28Å; G132-K162 VanDerWaalsContact O-CE 3.29Å; G132-K162 WeakPolarHBondContact O-CE 3.41Å; G132-K162 PolarHBondContact O-NZ 2.96Å
133G96.8Very high97.2Very high16 Ų1648.8 Ų48.817%0.16527%0.265CS..  trans-57.9173.3-177.700000115.2T130 D131T130-G133 WeakPolarHBondContact O-CA 3.5Å; T130-G133 PolarHBondContact O-N 3Å; D131-G133 PolarHBondContact O-N 3.29Å
134H98.7Very high97.2Very high12 Ų1248.4 Ų48.46%0.05626%0.259CS..  trans-68.5143.1174.8-79.3-80.5000111.1I138 T154 D158 Q160H134-I138 HydrophobicContact CB-CD1 4.16Å; H134-I138 HydrophobicContact CB-CG1 3.79Å; H134-T154 PolarHBondContact CD2-OG1 3.38Å; H134-T154 PolarHBondContact NE2-OG1 2.91Å; H134-D158 WeakPolarHBondContact CA-OD2 3.01Å; H134-D158 WeakPolarHBondContact CB-OD2 3.5Å; H134-D158 IonicContact CE1-OD1 3.43Å; H134-D158 IonicContact CG-OD2 3.41Å; H134-D158 IonicContact ND1-OD1 2.73Å; H134-D158 PolarHBondContact ND1-OD1 3.13Å; H134-D158 IonicContact ND1-OD2 3.88Å; H134-D158 PolarHBondContact ND1-OD2 2.69Å; H134-Q160 PolarHBondContact CE1-O 3.06Å
135T98.5Very high96.9Very high97 Ų9745.1 Ų45.160%0.59525%0.249SC*.SBendtrans-93.5-8-179.957.90000113K114 D158K114-T135 WeakPolarHBondContact CD-O 3.49Å; K114-T135 WeakPolarHBondContact CE-O 3.48Å; K114-T135 PolarHBondContact NZ-O 3.01Å; T135-D158 PolarHBondContact N-OD2 3.1Å; T135-D158 VanDerWaalsContact OG1-CB 3.26Å; T135-D158 WeakPolarHBondContact OG1-CB 3.04Å
136D98.6Very high96.3Very high54 Ų5445.8 Ų45.829%0.28925%0.249SC..SBendtrans-140.4-171.2175.5-150.3-19.6000110.6K114 I138 W157 D158K114-D136 WeakPolarHBondContact CA-O 3.39Å; K114-D136 WeakPolarHBondContact CB-O 3.43Å; D136-I138 PolarHBondContact O-N 2.9Å; D136-W157 HydrophobicContact CB-CB 3.87Å; D136-D158 HydrophobicContact CB-CB 4.06Å
137W98.5Very high95.7Very high70 Ų7044.4 Ų44.427%0.26525%0.251SS..  trans-57.3137.1-174.9-56.6-8.6000112.2L2 L96 R112 S139 G156 W157L2-W137 HydrophobicContact CD1-CZ3 4.45Å; L96-W137 HydrophobicContact CD1-CB 4.29Å; R112-W137 HydrophobicContact CB-CD2 4.27Å; R112-W137 HydrophobicContact CB-CG 4.08Å; R112-W137 HydrophobicContact CG-CB 4.43Å; R112-W137 HydrophobicContact CG-CD2 3.71Å; R112-W137 HydrophobicContact CG-CE3 4.04Å; R112-W137 HydrophobicContact CG-CG 3.88Å; R112-W137 VanDerWaalsContact O-CD1 3.25Å; W137-S139 PolarHBondContact O-N 2.92Å; W137-G156 CarbonylContact O-C 3.58Å; W137-G156 WeakPolarHBondContact O-CA 3.16Å; W137-W157 HydrophobicContact CB-CB 4.3Å; W137-W157 HydrophobicContact CB-CG 4.11Å; W137-W157 HydrophobicContact CD2-CD2 4.48Å; W137-W157 AromaticContact CE3-CD2 3.88Å; W137-W157 HydrophobicContact CE3-CD2 3.88Å; W137-W157 AromaticContact CE3-CE2 3.8Å; W137-W157 HydrophobicContact CE3-CE3 4.17Å; W137-W157 HydrophobicContact CE3-CG 4.39Å; W137-W157 HydrophobicContact CE3-CH2 4.32Å; W137-W157 HydrophobicContact CE3-CZ2 4.04Å; W137-W157 HydrophobicContact CE3-CZ3 4.38Å; W137-W157 HydrophobicContact CZ3-CD2 4.42Å; W137-W157 HydrophobicContact CZ3-CE3 4.36Å; W137-W157 AromaticContact CZ3-CH2 3.93Å; W137-W157 HydrophobicContact CZ3-CH2 3.93Å; W137-W157 AromaticContact CZ3-CZ2 3.98Å; W137-W157 HydrophobicContact CZ3-CZ2 3.98Å; W137-W157 HydrophobicContact CZ3-CZ3 4.13Å; W137-W157 PolarHBondContact O-N 3.12Å
138I98.7Very high95Very high2 Ų247 Ų471%0.0127%0.27CS..EExtended strand (participates in β ladder)trans-86.7112.1169.9-54.8-172.2000107.9S111 T115 A116 H134 D136 V141 C155S111-I138 PolarHBondContact O-N 2.85Å; T115-I138 WeakPolarHBondContact O-CD1 3.47Å; A116-I138 HydrophobicContact CB-CD1 3.7Å; H134-I138 HydrophobicContact CB-CD1 4.16Å; H134-I138 HydrophobicContact CB-CG1 3.79Å; D136-I138 PolarHBondContact O-N 2.9Å; I138-V141 HydrophobicContact CG2-CG1 3.75Å; I138-C155 CarbonylContact C-O 3.53Å; I138-C155 WeakPolarHBondContact CG2-O 3.39Å
139S96.5Very high94.4Very high8 Ų850.7 Ų50.76%0.05628%0.284CS..EExtended strand (participates in β ladder)trans-85.6-29.7-176.148.20000113.4W137 C155 L182W137-S139 PolarHBondContact O-N 2.92Å; S139-C155 PolarHBondContact N-O 2.98Å; S139-C155 PolarHBondContact OG-O 2.85Å; S139-C155 VanDerWaalsContact OG-O 3.12Å; S139-C155 PolarHBondContact OG-SG 3.14Å; S139-L182 WeakPolarHBondContact CB-O 3.27Å; S139-L182 PolarHBondContact OG-O 3.47Å
140C97.5Very high94.1Very high4 Ų452.3 Ų52.33%0.02730%0.295CS..EExtended strand (participates in β ladder)trans-152.6143-176.7-170.40000111.9T154 C155 V185C140-T154 WeakPolarHBondContact O-CA 3.21Å; C140-C155 PolarHBondContact N-O 2.84Å; C140-C155 PolarHBondContact O-N 3.44Å; C140-V185 HydrophobicContact CB-CG2 3.97Å; C140-V185 PolarHBondContact SG-O 3.28Å
141V98.3Very high94.2Very high0 Ų048.3 Ų48.30%027%0.27CS..EExtended strand (participates in β ladder)trans-134140.1176.2-580000110.4S97 A99 V108 I138 V153 T154S97-V141 PolarHBondContact OG-N 3.45Å; A99-V141 HydrophobicContact CB-CG2 4.5Å; V108-V141 HydrophobicContact CG1-CB 4.06Å; V108-V141 HydrophobicContact CG1-CG2 3.8Å; I138-V141 HydrophobicContact CG2-CG1 3.75Å; V141-V153 CarbonylContact C-O 3.48Å; V141-V153 WeakPolarHBondContact CA-O 3.42Å; V141-T154 HydrophobicContact CB-CG2 4.3Å; V141-T154 HydrophobicContact CG1-CG2 3.72Å
142R97.3Very high94.3Very high47 Ų4742.2 Ų42.218%0.17724%0.238CC..EExtended strand (participates in β ladder)trans-143.1141.7176-64.4-64.8174.3-116.212.5110.5D55 S97 V98 V152 V153 V185 V187D55-R142 IonicContact OD2-NH1 3.44Å; S97-R142 PolarHBondContact OG-NH1 2.86Å; V98-R142 PolarHBondContact O-NH1 2.96Å; R142-V152 CarbonylContact O-C 3.41Å; R142-V152 WeakPolarHBondContact O-CA 3.43Å; R142-V153 PolarHBondContact N-O 3.03Å; R142-V153 PolarHBondContact O-N 3.29Å; R142-V185 HydrophobicContact CG-CG2 4.39Å; R142-V187 HydrophobicContact CB-CG2 4.16Å
143F96.6Very high94.5Very high21 Ų2140.4 Ų40.49%0.09222%0.219CC..EExtended strand (participates in β ladder)trans-78.5147.4162.7-77.6-92.5000109.5A99 F100 S101 Q106 V108 L118 V152 L166A99-F143 HydrophobicContact CB-CD2 4.07Å; F100-F143 WeakPolarHBondContact O-CD2 3.07Å; S101-F143 VanDerWaalsContact N-CD2 3.35Å; Q106-F143 HydrophobicContact CB-CE1 4.19Å; Q106-F143 HydrophobicContact CB-CZ 3.81Å; V108-F143 HydrophobicContact CB-CD2 4.43Å; V108-F143 HydrophobicContact CB-CE2 3.64Å; V108-F143 HydrophobicContact CB-CZ 3.91Å; V108-F143 HydrophobicContact CG1-CD2 3.66Å; V108-F143 HydrophobicContact CG1-CE2 3.33Å; V108-F143 HydrophobicContact CG1-CZ 4.04Å; L118-F143 HydrophobicContact CD1-CE1 4.25Å; L118-F143 HydrophobicContact CD1-CZ 3.82Å; F143-V152 HydrophobicContact CD1-CG2 3.74Å; F143-V152 HydrophobicContact CE1-CG2 3.72Å; F143-V152 HydrophobicContact CG-CG2 4.18Å; F143-V152 HydrophobicContact CZ-CG2 4.14Å; F143-L166 HydrophobicContact CD1-CD1 3.82Å; F143-L166 HydrophobicContact CE1-CD1 3.37Å; F143-L166 HydrophobicContact CZ-CD1 4.49Å
144S94.3Very high94.6Very high7 Ų739.6 Ų39.65%0.04921%0.211CC..  trans-73.2142.9158.8177.50000109.7N146 I151S144-N146 PolarHBondContact O-N 2.88Å; S144-N146 PolarHBondContact OG-N 2.82Å; S144-I151 PolarHBondContact N-O 2.78Å
145P91.7Very high94.6Very high51 Ų5139 Ų3933%0.33121%0.208SC..SBendtrans-69-14.8175.128.5-35000113.3T147 P189P145-T147 PolarHBondContact O-N 2.9Å; P145-P189 VanDerWaalsContact CG-O 3.24Å; P145-P189 WeakPolarHBondContact CG-O 3.36Å
146N84.7Confident94.6Very high64 Ų6434.4 Ų34.434%0.34218%0.18SC..  trans-68.8120.7177.5-175-21.7000111.4S144 D148 H149S144-N146 PolarHBondContact O-N 2.88Å; S144-N146 PolarHBondContact OG-N 2.82Å; N146-D148 PolarHBondContact OD1-N 2.79Å; N146-H149 PolarHBondContact OD1-N 2.92Å
147T83Confident94.6Very high96 Ų9634.8 Ų34.859%0.58918%0.177SC*.SBendtrans-89.6-21.6-178.453.20000114.7P145P145-T147 PolarHBondContact O-N 2.9Å
148D83.3Confident94.6Very high132 Ų13232.4 Ų32.471%0.70617%0.17SC*.SBendtrans-73.8-38-177.6-64.4-28.8000111.1N146N146-D148 PolarHBondContact OD1-N 2.79Å
149H85.8Confident94.6Very high119 Ų11936.7 Ų36.755%0.55119%0.189SC*.SBendtrans-128.474.8175.6-65.6-49.7000110N146 I151N146-H149 PolarHBondContact OD1-N 2.92Å; H149-I151 PolarHBondContact O-N 3.14Å
150P92.5Very high94.7Very high37 Ų3737.8 Ų37.824%0.2419%0.193CC..  trans-68.1128.4-171.928.6-34.5000110.3L166P150-L166 HydrophobicContact CB-CB 4.3Å; P150-L166 HydrophobicContact CB-CD1 4.15Å; P150-L166 HydrophobicContact CG-CB 4.17Å; P150-L166 WeakPolarHBondContact O-CB 3.36Å; P150-L166 PolarHBondContact O-N 2.91Å
151I96.2Very high94.7Very high11 Ų1137.6 Ų37.66%0.05619%0.192CC..EExtended strand (participates in β ladder)trans-127.7154.7177.561.3169.5000111S144 H149 V153 V163 W164 L208S144-I151 PolarHBondContact N-O 2.78Å; H149-I151 PolarHBondContact O-N 3.14Å; I151-V153 HydrophobicContact CD1-CG2 4.37Å; I151-V163 HydrophobicContact CB-CG1 4.12Å; I151-V163 HydrophobicContact CD1-CG1 3.72Å; I151-V163 HydrophobicContact CG1-CG1 4.45Å; I151-V163 HydrophobicContact CG2-CG1 4.36Å; I151-W164 CarbonylContact C-O 3.59Å; I151-W164 WeakPolarHBondContact CA-O 3.5Å; I151-W164 VanDerWaalsContact CB-O 3.28Å; I151-W164 WeakPolarHBondContact CB-O 3.46Å; I151-L208 HydrophobicContact CD1-CB 4.23Å; I151-L208 HydrophobicContact CD1-CD1 4.08Å; I151-L208 HydrophobicContact CD1-CD2 4.14Å; I151-L208 HydrophobicContact CD1-CG 4.39Å
152V98Very high94.7Very high0 Ų038 Ų380%019%0.193CC..EExtended strand (participates in β ladder)trans-111.5137.3164.2167.60000108.3V108 R142 F143 T154 V163 W164 L166V108-V152 HydrophobicContact CB-CG2 4.34Å; V108-V152 HydrophobicContact CG1-CG1 4.3Å; V108-V152 HydrophobicContact CG1-CG2 4.25Å; V108-V152 HydrophobicContact CG2-CG1 4.02Å; V108-V152 HydrophobicContact CG2-CG2 4.28Å; R142-V152 CarbonylContact O-C 3.41Å; R142-V152 WeakPolarHBondContact O-CA 3.43Å; F143-V152 HydrophobicContact CD1-CG2 3.74Å; F143-V152 HydrophobicContact CE1-CG2 3.72Å; F143-V152 HydrophobicContact CG-CG2 4.18Å; F143-V152 HydrophobicContact CZ-CG2 4.14Å; V152-T154 HydrophobicContact CG1-CG2 3.68Å; V152-V163 WeakPolarHBondContact O-CA 3.46Å; V152-W164 HydrophobicContact CB-CB 4.4Å; V152-W164 PolarHBondContact N-O 2.83Å; V152-W164 PolarHBondContact O-N 3.48Å; V152-L166 HydrophobicContact CB-CD2 4.41Å; V152-L166 HydrophobicContact CG2-CD1 4Å; V152-L166 HydrophobicContact CG2-CD2 3.84Å; V152-L166 HydrophobicContact CG2-CG 4.25Å
153V98.7Very high94.8Very high0 Ų035.8 Ų35.80%019%0.185CC..EExtended strand (participates in β ladder)trans-107.9130.4168.7-1720000108.7V141 R142 I151 V161 K162 V163 V185 V187 L208V141-V153 CarbonylContact C-O 3.48Å; V141-V153 WeakPolarHBondContact CA-O 3.42Å; R142-V153 PolarHBondContact N-O 3.03Å; R142-V153 PolarHBondContact O-N 3.29Å; I151-V153 HydrophobicContact CD1-CG2 4.37Å; V153-V161 HydrophobicContact CG1-CG1 3.56Å; V153-K162 CarbonylContact C-O 3.48Å; V153-K162 WeakPolarHBondContact CA-O 3.39Å; V153-V163 HydrophobicContact CG1-CG2 4.48Å; V153-V163 HydrophobicContact CG2-CG2 4.33Å; V153-V185 HydrophobicContact CG1-CB 4.46Å; V153-V185 HydrophobicContact CG1-CG1 4.37Å; V153-V185 HydrophobicContact CG1-CG2 4.43Å; V153-V187 HydrophobicContact CB-CG2 4.44Å; V153-V187 HydrophobicContact CG2-CG2 4Å; V153-L208 HydrophobicContact CG2-CD1 4.47Å; V153-L208 HydrophobicContact CG2-CD2 3.98Å
154T98.8Very high94.9Very high0 Ų034.9 Ų34.90%018%0.181CC..EExtended strand (participates in β ladder)trans-124.5150.2176.764.90000110.6A116 H134 C140 V141 V152 V161 K162 W164A116-T154 HydrophobicContact CB-CG2 4.2Å; H134-T154 PolarHBondContact CD2-OG1 3.38Å; H134-T154 PolarHBondContact NE2-OG1 2.91Å; C140-T154 WeakPolarHBondContact O-CA 3.21Å; V141-T154 HydrophobicContact CB-CG2 4.3Å; V141-T154 HydrophobicContact CG1-CG2 3.72Å; V152-T154 HydrophobicContact CG1-CG2 3.68Å; T154-V161 CarbonylContact O-C 3.21Å; T154-V161 WeakPolarHBondContact O-CA 3.35Å; T154-K162 PolarHBondContact N-O 3.48Å; T154-K162 PolarHBondContact O-N 3.34Å; T154-W164 PolarHBondContact OG1-NE1 2.85Å
155C98.8Very high94.9Very high0 Ų034.6 Ų34.60%018%0.179CC..EExtended strand (participates in β ladder)trans-137.9158.5168.175.20000112.1I138 S139 C140 Q160 V161 L182 V185I138-C155 CarbonylContact C-O 3.53Å; I138-C155 WeakPolarHBondContact CG2-O 3.39Å; S139-C155 PolarHBondContact N-O 2.98Å; S139-C155 PolarHBondContact OG-O 2.85Å; S139-C155 VanDerWaalsContact OG-O 3.12Å; S139-C155 PolarHBondContact OG-SG 3.14Å; C140-C155 PolarHBondContact N-O 2.84Å; C140-C155 PolarHBondContact O-N 3.44Å; C155-Q160 VanDerWaalsContact CA-O 3.32Å; C155-Q160 WeakPolarHBondContact CA-O 3.26Å; C155-V161 HydrophobicContact CB-CG2 4.15Å; C155-L182 HydrophobicContact CB-CB 3.96Å; C155-L182 HydrophobicContact CB-CD1 3.68Å; C155-L182 HydrophobicContact CB-CG 4.46Å; C155-V185 HydrophobicContact CB-CB 4.5Å; C155-V185 HydrophobicContact CB-CG1 3.54Å; C155-V185 HydrophobicContact CB-CG2 4.29Å
156G98Very high95Very high0 Ų033 Ų330%017%0.168CC..EExtended strand (participates in β ladder)trans-152.2-178.1-172.900000116.4W137 D158 K159 Q160 L182W137-G156 CarbonylContact O-C 3.58Å; W137-G156 WeakPolarHBondContact O-CA 3.16Å; G156-D158 PolarHBondContact O-N 2.89Å; G156-K159 PolarHBondContact O-N 2.92Å; G156-K159 VanDerWaalsContact O-N 3.11Å; G156-Q160 PolarHBondContact N-O 2.85Å; G156-L182 WeakPolarHBondContact O-CB 3.1Å; G156-L182 PolarHBondContact O-N 2.73Å; G156-L182 VanDerWaalsContact O-N 3.12Å
157W98.5Very high95.3Very high61 Ų6134.5 Ų34.523%0.23118%0.183CC..THydrogen-bonded Turntrans-74-13-179.5-79.645.6000113.4L2 D136 W137 K159 Y181L2-W157 HydrophobicContact CD1-CZ2 4.15Å; L2-W157 HydrophobicContact CG-CZ2 4.2Å; D136-W157 HydrophobicContact CB-CB 3.87Å; W137-W157 HydrophobicContact CB-CB 4.3Å; W137-W157 HydrophobicContact CB-CG 4.11Å; W137-W157 HydrophobicContact CD2-CD2 4.48Å; W137-W157 AromaticContact CE3-CD2 3.88Å; W137-W157 HydrophobicContact CE3-CD2 3.88Å; W137-W157 AromaticContact CE3-CE2 3.8Å; W137-W157 HydrophobicContact CE3-CE3 4.17Å; W137-W157 HydrophobicContact CE3-CG 4.39Å; W137-W157 HydrophobicContact CE3-CH2 4.32Å; W137-W157 HydrophobicContact CE3-CZ2 4.04Å; W137-W157 HydrophobicContact CE3-CZ3 4.38Å; W137-W157 HydrophobicContact CZ3-CD2 4.42Å; W137-W157 HydrophobicContact CZ3-CE3 4.36Å; W137-W157 AromaticContact CZ3-CH2 3.93Å; W137-W157 HydrophobicContact CZ3-CH2 3.93Å; W137-W157 AromaticContact CZ3-CZ2 3.98Å; W137-W157 HydrophobicContact CZ3-CZ2 3.98Å; W137-W157 HydrophobicContact CZ3-CZ3 4.13Å; W137-W157 PolarHBondContact O-N 3.12Å; W157-K159 PolarHBondContact O-N 2.92Å; W157-Y181 HydrophobicContact CD2-CD2 4.38Å; W157-Y181 HydrophobicContact CD2-CG 4.16Å; W157-Y181 HydrophobicContact CE3-CD1 4.48Å; W157-Y181 HydrophobicContact CE3-CG 4.38Å; W157-Y181 HydrophobicContact CG-CG 4.5Å; W157-Y181 HydrophobicContact CZ2-CD2 4.19Å; W157-Y181 HydrophobicContact CZ2-CE2 4.2Å; W157-Y181 HydrophobicContact CZ3-CD1 4.49Å
158D98.6Very high95.7Very high21 Ų2134.8 Ų34.811%0.11218%0.181CC..THydrogen-bonded Turntrans-76.16.1167.262.30.8000113.5H134 T135 D136 G156 Q160H134-D158 WeakPolarHBondContact CA-OD2 3.01Å; H134-D158 WeakPolarHBondContact CB-OD2 3.5Å; H134-D158 IonicContact CE1-OD1 3.43Å; H134-D158 IonicContact CG-OD2 3.41Å; H134-D158 IonicContact ND1-OD1 2.73Å; H134-D158 PolarHBondContact ND1-OD1 3.13Å; H134-D158 IonicContact ND1-OD2 3.88Å; H134-D158 PolarHBondContact ND1-OD2 2.69Å; T135-D158 PolarHBondContact N-OD2 3.1Å; T135-D158 VanDerWaalsContact OG1-CB 3.26Å; T135-D158 WeakPolarHBondContact OG1-CB 3.04Å; D136-D158 HydrophobicContact CB-CB 4.06Å; G156-D158 PolarHBondContact O-N 2.89Å; D158-Q160 PolarHBondContact O-N 3.5Å; D158-Q160 PolarHBondContact OD1-N 3.45Å
159K98.7Very high96.2Very high92 Ų9229.4 Ų29.440%0.415%0.153SC..SBendtrans69.316.1173.1-36.9177.8-176-1760113.4G156 W157 H178 T179 G180G156-K159 PolarHBondContact O-N 2.92Å; G156-K159 VanDerWaalsContact O-N 3.11Å; W157-K159 PolarHBondContact O-N 2.92Å; K159-H178 HydrophobicContact CB-CB 4.26Å; K159-T179 WeakPolarHBondContact CD-O 3.38Å; K159-T179 WeakPolarHBondContact CE-O 3.4Å; K159-T179 PolarHBondContact NZ-O 3.32Å; K159-G180 WeakPolarHBondContact CB-O 3.36Å; K159-G180 WeakPolarHBondContact CG-O 3.35Å
160Q98.7Very high96.7Very high31 Ų3125.9 Ų25.915%0.14514%0.142CC..  trans-106.4146.6-176.7-68.117518.900110.8H134 C155 G156 D158 T174 Y176 L182H134-Q160 PolarHBondContact CE1-O 3.06Å; C155-Q160 VanDerWaalsContact CA-O 3.32Å; C155-Q160 WeakPolarHBondContact CA-O 3.26Å; G156-Q160 PolarHBondContact N-O 2.85Å; D158-Q160 PolarHBondContact O-N 3.5Å; D158-Q160 PolarHBondContact OD1-N 3.45Å; Q160-T174 HydrophobicContact CB-CG2 3.99Å; Q160-T174 HydrophobicContact CG-CG2 3.92Å; Q160-T174 VanDerWaalsContact OE1-CG2 3.27Å; Q160-Y176 HydrophobicContact CG-CD1 4.27Å; Q160-Y176 HydrophobicContact CG-CE1 4.11Å; Q160-L182 WeakPolarHBondContact O-CD1 3.46Å
161V98.8Very high96.9Very high0 Ų026.7 Ų26.70%014%0.144CC..EExtended strand (participates in β ladder)trans-106.9128.3161.6-179.30000106.9V153 T154 C155 H175 L182 V185 S196V153-V161 HydrophobicContact CG1-CG1 3.56Å; T154-V161 CarbonylContact O-C 3.21Å; T154-V161 WeakPolarHBondContact O-CA 3.35Å; C155-V161 HydrophobicContact CB-CG2 4.15Å; V161-H175 HydrophobicContact CB-CB 4.16Å; V161-H175 PolarHBondContact N-O 2.88Å; V161-H175 PolarHBondContact O-N 3.47Å; V161-L182 HydrophobicContact CG2-CD1 3.58Å; V161-V185 HydrophobicContact CG1-CG1 4.05Å; V161-V185 HydrophobicContact CG2-CG1 4.08Å; V161-S196 VanDerWaalsContact CG2-CB 3.46Å
162K98.7Very high96.9Very high8 Ų831.4 Ų31.44%0.03516%0.161CC..EExtended strand (participates in β ladder)trans-119.3139.5-179.5-67-178.8-177.5-78.70109.8G132 V153 T154 W164 L171 T173 T174G132-K162 VanDerWaalsContact O-CE 3.29Å; G132-K162 WeakPolarHBondContact O-CE 3.41Å; G132-K162 PolarHBondContact O-NZ 2.96Å; V153-K162 CarbonylContact C-O 3.48Å; V153-K162 WeakPolarHBondContact CA-O 3.39Å; T154-K162 PolarHBondContact N-O 3.48Å; T154-K162 PolarHBondContact O-N 3.34Å; K162-W164 HydrophobicContact CB-CZ2 3.95Å; K162-W164 HydrophobicContact CD-CH2 4.28Å; K162-W164 HydrophobicContact CD-CZ2 3.61Å; K162-W164 HydrophobicContact CG-CZ2 4.42Å; K162-L171 HydrophobicContact CB-CD1 3.84Å; K162-L171 HydrophobicContact CD-CD1 4.21Å; K162-L171 HydrophobicContact CG-CD1 4.13Å; K162-T173 WeakPolarHBondContact CA-O 3.43Å; K162-T174 HydrophobicContact CG-CG2 4.15Å; K162-T174 PolarHBondContact NZ-OG1 2.97Å
163V98.2Very high96.8Very high0 Ų032.8 Ų32.80%017%0.169CC..EExtended strand (participates in β ladder)trans-116.3127.4176.9-173.90000108.6I151 V152 V153 R172 T173 L208I151-V163 HydrophobicContact CB-CG1 4.12Å; I151-V163 HydrophobicContact CD1-CG1 3.72Å; I151-V163 HydrophobicContact CG1-CG1 4.45Å; I151-V163 HydrophobicContact CG2-CG1 4.36Å; V152-V163 WeakPolarHBondContact O-CA 3.46Å; V153-V163 HydrophobicContact CG1-CG2 4.48Å; V153-V163 HydrophobicContact CG2-CG2 4.33Å; V163-R172 WeakPolarHBondContact O-CB 3.39Å; V163-R172 PolarHBondContact O-N 2.87Å; V163-T173 HydrophobicContact CB-CG2 3.77Å; V163-T173 HydrophobicContact CG2-CG2 3.72Å; V163-T173 PolarHBondContact N-O 2.8Å; V163-T173 PolarHBondContact O-N 2.98Å; V163-L208 HydrophobicContact CG1-CD2 4.46Å; V163-L208 HydrophobicContact CG2-CD2 3.91Å
164W97.9Very high96.8Very high3 Ų333.9 Ų33.91%0.01118%0.176CC..EExtended strand (participates in β ladder)trans-116.9130.1-173.5-51.788.4000109.6F129 D131 I151 V152 T154 K162 S170 L171F129-W164 HydrophobicContact CB-CD2 4.4Å; F129-W164 HydrophobicContact CB-CE3 4.24Å; F129-W164 HydrophobicContact CB-CH2 4.1Å; F129-W164 HydrophobicContact CB-CZ2 4.25Å; F129-W164 HydrophobicContact CB-CZ3 4.08Å; F129-W164 HydrophobicContact CD1-CB 4.21Å; F129-W164 AromaticContact CD1-CD2 3.71Å; F129-W164 HydrophobicContact CD1-CD2 3.71Å; F129-W164 AromaticContact CD1-CE3 3.53Å; F129-W164 HydrophobicContact CD1-CE3 3.53Å; F129-W164 HydrophobicContact CD1-CG 4.02Å; F129-W164 HydrophobicContact CD1-CZ3 4.13Å; F129-W164 HydrophobicContact CE1-CB 3.9Å; F129-W164 HydrophobicContact CE1-CD2 4.32Å; F129-W164 HydrophobicContact CE1-CE3 4.32Å; F129-W164 HydrophobicContact CE1-CG 4.17Å; F129-W164 HydrophobicContact CG-CD2 4.26Å; F129-W164 HydrophobicContact CG-CE3 4.26Å; D131-W164 WeakPolarHBondContact O-CZ3 3.46Å; I151-W164 CarbonylContact C-O 3.59Å; I151-W164 WeakPolarHBondContact CA-O 3.5Å; I151-W164 VanDerWaalsContact CB-O 3.28Å; I151-W164 WeakPolarHBondContact CB-O 3.46Å; V152-W164 HydrophobicContact CB-CB 4.4Å; V152-W164 PolarHBondContact N-O 2.83Å; V152-W164 PolarHBondContact O-N 3.48Å; T154-W164 PolarHBondContact OG1-NE1 2.85Å; K162-W164 HydrophobicContact CB-CZ2 3.95Å; K162-W164 HydrophobicContact CD-CH2 4.28Å; K162-W164 HydrophobicContact CD-CZ2 3.61Å; K162-W164 HydrophobicContact CG-CZ2 4.42Å; W164-S170 CarbonylContact C-O 3.49Å; W164-S170 WeakPolarHBondContact CA-O 3.28Å; W164-L171 HydrophobicContact CD2-CD1 4.06Å; W164-L171 HydrophobicContact CE3-CB 3.86Å; W164-L171 HydrophobicContact CE3-CD1 3.99Å; W164-L171 HydrophobicContact CH2-CB 4.3Å; W164-L171 HydrophobicContact CH2-CD1 3.93Å; W164-L171 HydrophobicContact CZ2-CD1 4Å; W164-L171 HydrophobicContact CZ3-CB 3.63Å; W164-L171 HydrophobicContact CZ3-CD1 3.93Å; W164-L171 HydrophobicContact CZ3-CG 4.28Å
165G95.8Very high96.8Very high0 Ų034.5 Ų34.50%018%0.179CC..EExtended strand (participates in β ladder)trans-79.8133.717000000110.4C169 S170G165-C169 CarbonylContact O-C 3.57Å; G165-C169 WeakPolarHBondContact O-CA 3.33Å; G165-C169 PolarHBondContact O-N 2.88Å; G165-S170 PolarHBondContact N-O 3.33Å; G165-S170 PolarHBondContact O-N 2.81Å
166L94.1Very high96.8Very high19 Ų1942 Ų4210%0.09921%0.208CC..THydrogen-bonded Turntrans-91.7-12.5-179.8-61.8-174000114.6L118 F129 F143 P150 V152 D168L118-L166 HydrophobicContact CD1-CD2 4.47Å; L118-L166 HydrophobicContact CD2-CD2 4.35Å; F129-L166 HydrophobicContact CE1-CD2 4.29Å; F129-L166 HydrophobicContact CZ-CD2 3.87Å; F143-L166 HydrophobicContact CD1-CD1 3.82Å; F143-L166 HydrophobicContact CE1-CD1 3.37Å; F143-L166 HydrophobicContact CZ-CD1 4.49Å; P150-L166 HydrophobicContact CB-CB 4.3Å; P150-L166 HydrophobicContact CB-CD1 4.15Å; P150-L166 HydrophobicContact CG-CB 4.17Å; P150-L166 WeakPolarHBondContact O-CB 3.36Å; P150-L166 PolarHBondContact O-N 2.91Å; V152-L166 HydrophobicContact CB-CD2 4.41Å; V152-L166 HydrophobicContact CG2-CD1 4Å; V152-L166 HydrophobicContact CG2-CD2 3.84Å; V152-L166 HydrophobicContact CG2-CG 4.25Å; L166-D168 PolarHBondContact O-N 2.82Å
167S91Very high96.7Very high94 Ų9444.3 Ų44.366%0.65723%0.233SC*.THydrogen-bonded Turntrans-61-36.1176.1-53.50000112
168D91Very high96.8Very high103 Ų10342.1 Ų42.155%0.55123%0.225SC*.THydrogen-bonded Turntrans-130.71.6-178.263.2-16.4000113L166 S170L166-D168 PolarHBondContact O-N 2.82Å; D168-S170 PolarHBondContact O-N 2.98Å; D168-S170 PolarHBondContact OD1-N 2.96Å; D168-S170 PolarHBondContact OD1-OG 3.22Å; D168-S170 VanDerWaalsContact OD2-CB 3.32Å; D168-S170 WeakPolarHBondContact OD2-CB 2.99Å; D168-S170 PolarHBondContact OD2-OG 3.37Å
169C93.7Very high96.7Very high19 Ų1946 Ų4613%0.12825%0.25CC..  trans58.127.4-176.6-62.20000114.3Y127 F129 G165Y127-C169 HydrophobicContact CD1-CB 3.58Å; Y127-C169 HydrophobicContact CD2-CB 3.96Å; Y127-C169 HydrophobicContact CE1-CB 3.56Å; Y127-C169 HydrophobicContact CE2-CB 3.95Å; Y127-C169 HydrophobicContact CG-CB 3.78Å; F129-C169 HydrophobicContact CE1-CB 4.27Å; G165-C169 CarbonylContact O-C 3.57Å; G165-C169 WeakPolarHBondContact O-CA 3.33Å; G165-C169 PolarHBondContact O-N 2.88Å
170S95.2Very high96.7Very high45 Ų4542.1 Ų42.132%0.31524%0.236SC..  trans-92.1154-178.5710000113.5W164 G165 D168 R172W164-S170 CarbonylContact C-O 3.49Å; W164-S170 WeakPolarHBondContact CA-O 3.28Å; G165-S170 PolarHBondContact N-O 3.33Å; G165-S170 PolarHBondContact O-N 2.81Å; D168-S170 PolarHBondContact O-N 2.98Å; D168-S170 PolarHBondContact OD1-N 2.96Å; D168-S170 PolarHBondContact OD1-OG 3.22Å; D168-S170 VanDerWaalsContact OD2-CB 3.32Å; D168-S170 WeakPolarHBondContact OD2-CB 2.99Å; D168-S170 PolarHBondContact OD2-OG 3.37Å; S170-R172 PolarHBondContact O-N 3.34Å
171L97.5Very high96.7Very high53 Ų5343.7 Ų43.728%0.27724%0.241SC..EExtended strand (participates in β ladder)trans-72.7115.9172.1-179.263.7000109.8K162 W164 T173K162-L171 HydrophobicContact CB-CD1 3.84Å; K162-L171 HydrophobicContact CD-CD1 4.21Å; K162-L171 HydrophobicContact CG-CD1 4.13Å; W164-L171 HydrophobicContact CD2-CD1 4.06Å; W164-L171 HydrophobicContact CE3-CB 3.86Å; W164-L171 HydrophobicContact CE3-CD1 3.99Å; W164-L171 HydrophobicContact CH2-CB 4.3Å; W164-L171 HydrophobicContact CH2-CD1 3.93Å; W164-L171 HydrophobicContact CZ2-CD1 4Å; W164-L171 HydrophobicContact CZ3-CB 3.63Å; W164-L171 HydrophobicContact CZ3-CD1 3.93Å; W164-L171 HydrophobicContact CZ3-CG 4.28Å; L171-T173 WeakPolarHBondContact CD1-O 3.13Å
172R95.5Very high96.7Very high111 Ų11143.7 Ų43.742%0.41924%0.241SC..EExtended strand (participates in β ladder)trans-82.5-46177-66-169.9-176.5-148.13.1112.3V163 S170V163-R172 WeakPolarHBondContact O-CB 3.39Å; V163-R172 PolarHBondContact O-N 2.87Å; S170-R172 PolarHBondContact O-N 3.34Å
173T97.6Very high96.5Very high29 Ų2943.8 Ų43.818%0.17824%0.241CC..EExtended strand (participates in β ladder)trans-154.6151.3-179.7-1700000111.5K162 V163 L171 H175 N211K162-T173 WeakPolarHBondContact CA-O 3.43Å; V163-T173 HydrophobicContact CB-CG2 3.77Å; V163-T173 HydrophobicContact CG2-CG2 3.72Å; V163-T173 PolarHBondContact N-O 2.8Å; V163-T173 PolarHBondContact O-N 2.98Å; L171-T173 WeakPolarHBondContact CD1-O 3.13Å; T173-H175 WeakPolarHBondContact CG2-NE2 3.09Å; T173-N211 HydrophobicContact CG2-CB 3.95Å; T173-N211 WeakPolarHBondContact CG2-OD1 3.32Å
174T98.6Very high96.4Very high23 Ų2344.1 Ų44.114%0.14124%0.243CC..EExtended strand (participates in β ladder)trans-116.1117.8164.9-62.80000107.5Q160 K162 Y176Q160-T174 HydrophobicContact CB-CG2 3.99Å; Q160-T174 HydrophobicContact CG-CG2 3.92Å; Q160-T174 VanDerWaalsContact OE1-CG2 3.27Å; K162-T174 HydrophobicContact CG-CG2 4.15Å; K162-T174 PolarHBondContact NZ-OG1 2.97Å; T174-Y176 HydrophobicContact CG2-CD2 4.33Å; T174-Y176 HydrophobicContact CG2-CE1 3.91Å; T174-Y176 HydrophobicContact CG2-CE2 3.71Å; T174-Y176 VanDerWaalsContact CG2-CZ 3.47Å; T174-Y176 WeakPolarHBondContact O-CD2 3.29Å; T174-Y176 WeakPolarHBondContact O-CE2 3.46Å
175H98.3Very high96.4Very high12 Ų1244 Ų446%0.05624%0.243CC..EExtended strand (participates in β ladder)trans-86.8133.2173.8-62.2-55.5000110.6V161 T173 W206 N211V161-H175 HydrophobicContact CB-CB 4.16Å; V161-H175 PolarHBondContact N-O 2.88Å; V161-H175 PolarHBondContact O-N 3.47Å; T173-H175 WeakPolarHBondContact CG2-NE2 3.09Å; H175-W206 HydrophobicContact CB-CD2 4.05Å; H175-W206 HydrophobicContact CB-CE3 3.66Å; H175-W206 HydrophobicContact CB-CH2 3.91Å; H175-W206 HydrophobicContact CB-CZ2 4.27Å; H175-W206 HydrophobicContact CB-CZ3 3.6Å; H175-W206 AromaticContact CG-CD2 3.96Å; H175-W206 AromaticContact CG-CE3 3.6Å; H175-W206 AromaticContact ND1-CE3 3.76Å; H175-N211 PolarHBondContact CE1-O 3.28Å
176Y98Very high96.5Very high157 Ų15744.6 Ų44.662%0.61625%0.247SC*.  trans-116.7156.4179-60.2-86.7000110.2Q160 T174 W206Q160-Y176 HydrophobicContact CG-CD1 4.27Å; Q160-Y176 HydrophobicContact CG-CE1 4.11Å; T174-Y176 HydrophobicContact CG2-CD2 4.33Å; T174-Y176 HydrophobicContact CG2-CE1 3.91Å; T174-Y176 HydrophobicContact CG2-CE2 3.71Å; T174-Y176 VanDerWaalsContact CG2-CZ 3.47Å; T174-Y176 WeakPolarHBondContact O-CD2 3.29Å; T174-Y176 WeakPolarHBondContact O-CE2 3.46Å; Y176-W206 WeakPolarHBondContact O-CH2 3.2Å
177G97.4Very high96.6Very high50 Ų5044.6 Ų44.652%0.51525%0.247SC..  trans145.1-27.4172.600000113.5
178H98.6Very high96.8Very high14 Ų1440.2 Ų40.27%0.06522%0.217CC..  trans-66.5139.2174.4-78.3-77.3000112K159 L182 S196 D200 Q202 M204K159-H178 HydrophobicContact CB-CB 4.26Å; H178-L182 HydrophobicContact CB-CD2 4.2Å; H178-S196 PolarHBondContact NE2-OG 2.85Å; H178-D200 WeakPolarHBondContact CA-OD2 3.34Å; H178-D200 VanDerWaalsContact CB-OD2 3.3Å; H178-D200 WeakPolarHBondContact CB-OD2 3.32Å; H178-D200 IonicContact CE1-OD1 2.81Å; H178-D200 IonicContact CE1-OD2 3.56Å; H178-D200 IonicContact CG-OD2 3.65Å; H178-D200 IonicContact ND1-OD1 3.41Å; H178-D200 PolarHBondContact ND1-OD1 3.2Å; H178-D200 IonicContact ND1-OD2 2.77Å; H178-D200 PolarHBondContact ND1-OD2 3.02Å; H178-Q202 PolarHBondContact CE1-O 2.82Å; H178-Q202 VanDerWaalsContact CE1-O 3.3Å; H178-M204 VanDerWaalsContact CD2-SD 3.53Å
179T98.2Very high96.9Very high104 Ų10438.9 Ų38.964%0.63821%0.214SC*.SBendtrans-104.2-12.9-178.757.90000112.5K159 D200K159-T179 WeakPolarHBondContact CD-O 3.38Å; K159-T179 WeakPolarHBondContact CE-O 3.4Å; K159-T179 PolarHBondContact NZ-O 3.32Å; T179-D200 PolarHBondContact N-OD2 2.88Å; T179-D200 WeakPolarHBondContact OG1-CB 3.2Å
180G98.3Very high96.8Very high10 Ų1042.9 Ų42.910%0.10323%0.234CC..SBendtrans-120.8167.4174.400000112.5K159 D200K159-G180 WeakPolarHBondContact CB-O 3.36Å; K159-G180 WeakPolarHBondContact CG-O 3.35Å; G180-D200 PolarHBondContact N-OD2 3.28Å
181Y98Very high96.7Very high64 Ų6441.1 Ų41.125%0.25122%0.223SC..  trans-61.1147.7175.459.6-101.5000111W157 N183 G198 K199W157-Y181 HydrophobicContact CD2-CD2 4.38Å; W157-Y181 HydrophobicContact CD2-CG 4.16Å; W157-Y181 HydrophobicContact CE3-CD1 4.48Å; W157-Y181 HydrophobicContact CE3-CG 4.38Å; W157-Y181 HydrophobicContact CG-CG 4.5Å; W157-Y181 HydrophobicContact CZ2-CD2 4.19Å; W157-Y181 HydrophobicContact CZ2-CE2 4.2Å; W157-Y181 HydrophobicContact CZ3-CD1 4.49Å; Y181-N183 WeakPolarHBondContact CE2-OD1 3.4Å; Y181-G198 WeakPolarHBondContact O-CA 3.5Å; Y181-K199 HydrophobicContact CD1-CB 3.8Å; Y181-K199 HydrophobicContact CD1-CG 3.97Å; Y181-K199 HydrophobicContact CD2-CB 3.91Å; Y181-K199 HydrophobicContact CE1-CB 3.66Å; Y181-K199 HydrophobicContact CE1-CD 3.93Å; Y181-K199 HydrophobicContact CE1-CG 3.51Å; Y181-K199 HydrophobicContact CE2-CB 3.78Å; Y181-K199 HydrophobicContact CE2-CG 4.4Å; Y181-K199 HydrophobicContact CG-CB 3.91Å; Y181-K199 PolarHBondContact O-N 2.92Å
182L98.6Very high96.6Very high0 Ų040.6 Ų40.60%022%0.224CC..EExtended strand (participates in β ladder)trans-88.3146.2177.4-65.6175.1000111.2S139 C155 G156 Q160 V161 H178S139-L182 WeakPolarHBondContact CB-O 3.27Å; S139-L182 PolarHBondContact OG-O 3.47Å; C155-L182 HydrophobicContact CB-CB 3.96Å; C155-L182 HydrophobicContact CB-CD1 3.68Å; C155-L182 HydrophobicContact CB-CG 4.46Å; G156-L182 WeakPolarHBondContact O-CB 3.1Å; G156-L182 PolarHBondContact O-N 2.73Å; G156-L182 VanDerWaalsContact O-N 3.12Å; Q160-L182 WeakPolarHBondContact O-CD1 3.46Å; V161-L182 HydrophobicContact CG2-CD1 3.58Å; H178-L182 HydrophobicContact CB-CD2 4.2Å
183N95.2Very high96.6Very high9 Ų935.7 Ų35.75%0.04821%0.206CC..EExtended strand (participates in β ladder)trans-108.9-27.7176.2-78.5-31.3000111.8R5 Y181 G197 I222 I223R5-N183 PolarHBondContact NH2-O 2.97Å; R5-N183 VanDerWaalsContact NH2-O 3.14Å; Y181-N183 WeakPolarHBondContact CE2-OD1 3.4Å; N183-G197 PolarHBondContact N-O 3.1Å; N183-I222 WeakPolarHBondContact ND2-CG2 3.48Å; N183-I223 WeakPolarHBondContact CB-O 3.27Å; N183-I223 PolarHBondContact ND2-O 3.4Å
184T96.5Very high96.6Very high7 Ų734.3 Ų34.34%0.04320%0.198CC..EExtended strand (participates in β ladder)trans-158.4150.8-168.5-165.40000111.8G197 I223 L226T184-G197 PolarHBondContact N-O 3.28Å; T184-G197 PolarHBondContact O-N 3.27Å; T184-G197 VanDerWaalsContact O-N 3.15Å; T184-I223 HydrophobicContact CG2-CG2 4.17Å; T184-L226 HydrophobicContact CG2-CB 3.9Å; T184-L226 HydrophobicContact CG2-CD1 3.86Å; T184-L226 HydrophobicContact CG2-CG 3.66Å
185V98Very high96.6Very high0 Ų033.2 Ų33.20%019%0.191CC..EExtended strand (participates in β ladder)trans-129.4154159.3-82.20000108.7C140 R142 V153 C155 V161 A195C140-V185 HydrophobicContact CB-CG2 3.97Å; C140-V185 PolarHBondContact SG-O 3.28Å; R142-V185 HydrophobicContact CG-CG2 4.39Å; V153-V185 HydrophobicContact CG1-CB 4.46Å; V153-V185 HydrophobicContact CG1-CG1 4.37Å; V153-V185 HydrophobicContact CG1-CG2 4.43Å; C155-V185 HydrophobicContact CB-CB 4.5Å; C155-V185 HydrophobicContact CB-CG1 3.54Å; C155-V185 HydrophobicContact CB-CG2 4.29Å; V161-V185 HydrophobicContact CG1-CG1 4.05Å; V161-V185 HydrophobicContact CG2-CG1 4.08Å; V185-A195 CarbonylContact C-O 3.58Å; V185-A195 VanDerWaalsContact CA-O 3.28Å; V185-A195 WeakPolarHBondContact CA-O 3.37Å
186T96.4Very high96.7Very high14 Ų1432.7 Ų32.79%0.08619%0.188CC..EExtended strand (participates in β ladder)trans-141.9150.1168.8-171.60000109.3C194 A195 L226 F228 L235T186-C194 CarbonylContact O-C 3.58Å; T186-C194 WeakPolarHBondContact O-CA 3.31Å; T186-A195 HydrophobicContact CG2-CB 4.01Å; T186-A195 PolarHBondContact N-O 2.98Å; T186-A195 PolarHBondContact O-N 2.87Å; T186-L226 HydrophobicContact CG2-CB 3.62Å; T186-F228 HydrophobicContact CG2-CD2 3.59Å; T186-F228 HydrophobicContact CG2-CE2 3.69Å; T186-L235 HydrophobicContact CG2-CD1 4.12Å
187V96.6Very high96.7Very high18 Ų1825.2 Ų25.211%0.10916%0.159CC..EExtended strand (participates in β ladder)trans-108.5144.5176.8-178.40000108.3R142 V153 L193 L208 F228R142-V187 HydrophobicContact CB-CG2 4.16Å; V153-V187 HydrophobicContact CB-CG2 4.44Å; V153-V187 HydrophobicContact CG2-CG2 4Å; V187-L193 CarbonylContact C-O 3.57Å; V187-L193 WeakPolarHBondContact CA-O 3.49Å; V187-L193 WeakPolarHBondContact CG1-O 3.41Å; V187-L208 HydrophobicContact CG1-CD1 3.81Å; V187-L208 HydrophobicContact CG2-CD1 4.41Å; V187-F228 VanDerWaalsContact C-CD2 3.48Å; V187-F228 WeakPolarHBondContact O-CD2 3.43Å
188S95.7Very high96.7Very high3 Ų322.8 Ų22.82%0.02113%0.134CC..  trans-68.1156.5176.457.40000111.6D190 G191 S192 L193S188-D190 VanDerWaalsContact CB-OD1 3.29Å; S188-D190 WeakPolarHBondContact CB-OD1 3.41Å; S188-D190 PolarHBondContact O-N 3.39Å; S188-D190 PolarHBondContact OG-OD1 3.44Å; S188-G191 WeakPolarHBondContact O-CA 3.34Å; S188-G191 PolarHBondContact O-N 3.23Å; S188-S192 PolarHBondContact OG-N 3.31Å; S188-L193 PolarHBondContact N-O 2.85Å; S188-L193 PolarHBondContact OG-N 2.75Å; S188-L193 PolarHBondContact OG-O 2.84Å
189P92.6Very high96.6Very high74 Ų7426.8 Ų26.848%0.48115%0.151SC..THydrogen-bonded Turntrans-59.1-31.7-177.2-25.233.9000114.7P145 G191P145-P189 VanDerWaalsContact CG-O 3.24Å; P145-P189 WeakPolarHBondContact CG-O 3.36Å; P189-G191 VanDerWaalsContact C-N 3.3Å
190D92Very high96.6Very high103 Ų10323.3 Ų23.355%0.55113%0.129SC*.THydrogen-bonded Turntrans-83-5.3175.968.3-15.4000113.2S188 S192S188-D190 VanDerWaalsContact CB-OD1 3.29Å; S188-D190 WeakPolarHBondContact CB-OD1 3.41Å; S188-D190 PolarHBondContact O-N 3.39Å; S188-D190 PolarHBondContact OG-OD1 3.44Å; D190-S192 PolarHBondContact O-N 2.72Å; D190-S192 PolarHBondContact OD1-N 3.47Å; D190-S192 VanDerWaalsContact OD1-N 3.12Å; D190-S192 PolarHBondContact OD1-OG 3.31Å; D190-S192 WeakPolarHBondContact OD2-CB 3.46Å; D190-S192 PolarHBondContact OD2-OG 2.82Å
191G93.6Very high96.5Very high9 Ų923 Ų239%0.09313%0.126CC..SBendtrans73.48.3-179.900000115.5S188 P189S188-G191 WeakPolarHBondContact O-CA 3.34Å; S188-G191 PolarHBondContact O-N 3.23Å; P189-G191 VanDerWaalsContact C-N 3.3Å
192S94.1Very high96.5Very high41 Ų4123.2 Ų23.229%0.28713%0.129SC..SBendtrans-82.8-29.5-176.2690000113.5S188 D190 L208S188-S192 PolarHBondContact OG-N 3.31Å; D190-S192 PolarHBondContact O-N 2.72Å; D190-S192 PolarHBondContact OD1-N 3.47Å; D190-S192 VanDerWaalsContact OD1-N 3.12Å; D190-S192 PolarHBondContact OD1-OG 3.31Å; D190-S192 WeakPolarHBondContact OD2-CB 3.46Å; D190-S192 PolarHBondContact OD2-OG 2.82Å; S192-L208 PolarHBondContact O-N 3.33Å
193L96.7Very high96.5Very high9 Ų923.2 Ų23.25%0.04713%0.129CC..EExtended strand (participates in β ladder)trans-119.8148.9-175.1-59-177.9000112.7V187 S188 W206 L214 F228 Y233V187-L193 CarbonylContact C-O 3.57Å; V187-L193 WeakPolarHBondContact CA-O 3.49Å; V187-L193 WeakPolarHBondContact CG1-O 3.41Å; S188-L193 PolarHBondContact N-O 2.85Å; S188-L193 PolarHBondContact OG-N 2.75Å; S188-L193 PolarHBondContact OG-O 2.84Å; L193-W206 WeakPolarHBondContact CA-O 3.47Å; L193-L214 HydrophobicContact CD2-CD1 3.52Å; L193-F228 HydrophobicContact CB-CZ 4.08Å; L193-F228 HydrophobicContact CD1-CE1 4.47Å; L193-Y233 HydrophobicContact CD1-CE2 3.97Å; L193-Y233 WeakPolarHBondContact CD1-OH 3.24Å
194C98.2Very high96.6Very high0 Ų023.4 Ų23.40%013%0.13CC..EExtended strand (participates in β ladder)trans-116.8141.2161174.20000109.4T186 L205 W206 L208T186-C194 CarbonylContact O-C 3.58Å; T186-C194 WeakPolarHBondContact O-CA 3.31Å; C194-L205 WeakPolarHBondContact O-CA 3.28Å; C194-W206 HydrophobicContact CB-CB 4.36Å; C194-W206 PolarHBondContact N-O 2.91Å; C194-W206 VanDerWaalsContact O-CD1 3.27Å; C194-W206 PolarHBondContact O-N 2.86Å; C194-L208 HydrophobicContact CB-CD1 4.05Å; C194-L208 HydrophobicContact CB-CD2 3.77Å; C194-L208 HydrophobicContact CB-CG 3.97Å
195A98.7Very high96.7Very high0 Ų023.1 Ų23.10%013%0.128CC..EExtended strand (participates in β ladder)trans-115.6137165.500000110V185 T186 M204 L205 L226 F228 L235V185-A195 CarbonylContact C-O 3.58Å; V185-A195 VanDerWaalsContact CA-O 3.28Å; V185-A195 WeakPolarHBondContact CA-O 3.37Å; T186-A195 HydrophobicContact CG2-CB 4.01Å; T186-A195 PolarHBondContact N-O 2.98Å; T186-A195 PolarHBondContact O-N 2.87Å; A195-M204 CarbonylContact C-O 3.55Å; A195-M204 VanDerWaalsContact CA-O 3.32Å; A195-M204 WeakPolarHBondContact CA-O 3.48Å; A195-L205 HydrophobicContact CB-CD1 3.99Å; A195-L205 HydrophobicContact CB-CG 4.43Å; A195-L226 HydrophobicContact CB-CD1 4.11Å; A195-F228 HydrophobicContact CB-CE2 3.88Å; A195-F228 HydrophobicContact CB-CZ 3.83Å; A195-L235 HydrophobicContact CB-CD1 3.86Å; A195-L235 HydrophobicContact CB-CD2 3.7Å; A195-L235 HydrophobicContact CB-CG 4.47Å
196S98.8Very high96.8Very high0 Ų023.3 Ų23.30%013%0.129CC..EExtended strand (participates in β ladder)trans-124.8149.5176.357.40000111.5V161 H178 A203 M204 W206V161-S196 VanDerWaalsContact CG2-CB 3.46Å; H178-S196 PolarHBondContact NE2-OG 2.85Å; S196-A203 CarbonylContact O-C 3.47Å; S196-A203 WeakPolarHBondContact O-CA 3.34Å; S196-M204 PolarHBondContact N-O 3.12Å; S196-M204 PolarHBondContact O-N 3.17Å; S196-W206 PolarHBondContact OG-NE1 3.02Å
197G98.5Very high96.8Very high0 Ų024 Ų240%013%0.132CC..EExtended strand (participates in β ladder)trans-159.5154.6179.500000113N183 T184N183-G197 PolarHBondContact N-O 3.1Å; T184-G197 PolarHBondContact N-O 3.28Å; T184-G197 PolarHBondContact O-N 3.27Å; T184-G197 VanDerWaalsContact O-N 3.15Å
198G96.7Very high96.7Very high0 Ų023.8 Ų23.80%013%0.13CC..EExtended strand (participates in β ladder)trans-173.3-139.4179.800000114.1Y181 D200 G201 I223Y181-G198 WeakPolarHBondContact O-CA 3.5Å; G198-D200 VanDerWaalsContact C-N 3.34Å; G198-D200 PolarHBondContact O-N 3.4Å; G198-G201 PolarHBondContact O-N 3.41Å; G198-I223 PolarHBondContact O-N 3.37Å
199K97.1Very high96.6Very high97 Ų9727.4 Ų27.442%0.42216%0.16SC..THydrogen-bonded Turntrans-67.2-28.4-169-177.656172.2179.50114.6Y181 G201 I222Y181-K199 HydrophobicContact CD1-CB 3.8Å; Y181-K199 HydrophobicContact CD1-CG 3.97Å; Y181-K199 HydrophobicContact CD2-CB 3.91Å; Y181-K199 HydrophobicContact CE1-CB 3.66Å; Y181-K199 HydrophobicContact CE1-CD 3.93Å; Y181-K199 HydrophobicContact CE1-CG 3.51Å; Y181-K199 HydrophobicContact CE2-CB 3.78Å; Y181-K199 HydrophobicContact CE2-CG 4.4Å; Y181-K199 HydrophobicContact CG-CB 3.91Å; Y181-K199 PolarHBondContact O-N 2.92Å; K199-G201 PolarHBondContact O-N 2.53Å; K199-I222 HydrophobicContact CD-CD1 3.64Å; K199-I222 HydrophobicContact CD-CG1 3.86Å
200D97.7Very high96.7Very high32 Ų3229.1 Ų29.117%0.17117%0.165CC..THydrogen-bonded Turntrans-77.8-5.6178.15711.2000113.9H178 T179 G180 G198 Q202H178-D200 WeakPolarHBondContact CA-OD2 3.34Å; H178-D200 VanDerWaalsContact CB-OD2 3.3Å; H178-D200 WeakPolarHBondContact CB-OD2 3.32Å; H178-D200 IonicContact CE1-OD1 2.81Å; H178-D200 IonicContact CE1-OD2 3.56Å; H178-D200 IonicContact CG-OD2 3.65Å; H178-D200 IonicContact ND1-OD1 3.41Å; H178-D200 PolarHBondContact ND1-OD1 3.2Å; H178-D200 IonicContact ND1-OD2 2.77Å; H178-D200 PolarHBondContact ND1-OD2 3.02Å; T179-D200 PolarHBondContact N-OD2 2.88Å; T179-D200 WeakPolarHBondContact OG1-CB 3.2Å; G180-D200 PolarHBondContact N-OD2 3.28Å; G198-D200 VanDerWaalsContact C-N 3.34Å; G198-D200 PolarHBondContact O-N 3.4Å; D200-Q202 HydrophobicContact CB-CG 4.42Å; D200-Q202 PolarHBondContact O-N 2.87Å; D200-Q202 PolarHBondContact O-NE2 2.85Å; D200-Q202 PolarHBondContact OD1-N 2.99Å
201G97.1Very high96.8Very high3 Ų327 Ų273%0.03115%0.153CC..  trans65.523.4178.300000114.7G198 K199 S219 G221G198-G201 PolarHBondContact O-N 3.41Å; K199-G201 PolarHBondContact O-N 2.53Å; G201-S219 VanDerWaalsContact C-OG 3.23Å; G201-S219 WeakPolarHBondContact CA-OG 3.26Å; G201-S219 WeakPolarHBondContact O-CB 3.35Å; G201-S219 PolarHBondContact O-N 3.03Å; G201-S219 PolarHBondContact O-OG 2.98Å; G201-G221 WeakPolarHBondContact CA-O 3.34Å
202Q97.6Very high96.9Very high69 Ų6931.2 Ų31.232%0.32217%0.169SC..EExtended strand (participates in β ladder)trans-101.7125.4173.7-58.9-51.7-46.200109H178 D200 M204 T216 I223H178-Q202 PolarHBondContact CE1-O 2.82Å; H178-Q202 VanDerWaalsContact CE1-O 3.3Å; D200-Q202 HydrophobicContact CB-CG 4.42Å; D200-Q202 PolarHBondContact O-N 2.87Å; D200-Q202 PolarHBondContact O-NE2 2.85Å; D200-Q202 PolarHBondContact OD1-N 2.99Å; Q202-M204 HydrophobicContact CB-CG 4.2Å; Q202-T216 HydrophobicContact CB-CG2 3.65Å; Q202-T216 HydrophobicContact CG-CG2 4.08Å; Q202-I223 VanDerWaalsContact O-CD1 3.31Å; Q202-I223 WeakPolarHBondContact O-CD1 3.44Å
203A98.3Very high97.1Very high0 Ų033.7 Ų33.70%018%0.175CC..EExtended strand (participates in β ladder)trans-91.4103.3164.500000107.6S196 T216 L217 I223 L226 L235 W246S196-A203 CarbonylContact O-C 3.47Å; S196-A203 WeakPolarHBondContact O-CA 3.34Å; A203-T216 CarbonylContact O-C 3.59Å; A203-T216 WeakPolarHBondContact O-CA 3.35Å; A203-L217 HydrophobicContact CB-CB 4.1Å; A203-L217 PolarHBondContact N-O 3.22Å; A203-L217 PolarHBondContact O-N 3.26Å; A203-I223 HydrophobicContact CB-CD1 3.77Å; A203-L226 HydrophobicContact CB-CD2 4.47Å; A203-L235 HydrophobicContact CB-CD2 4.45Å; A203-W246 HydrophobicContact CB-CH2 4.44Å; A203-W246 HydrophobicContact CB-CZ3 4.41Å
204M98.7Very high97.1Very high13 Ų1336 Ų366%0.06419%0.187CC..EExtended strand (participates in β ladder)trans-96.1134.6-178.5-63.5-17474.800110.2H178 A195 S196 Q202 W206 F213 T216H178-M204 VanDerWaalsContact CD2-SD 3.53Å; A195-M204 CarbonylContact C-O 3.55Å; A195-M204 VanDerWaalsContact CA-O 3.32Å; A195-M204 WeakPolarHBondContact CA-O 3.48Å; S196-M204 PolarHBondContact N-O 3.12Å; S196-M204 PolarHBondContact O-N 3.17Å; Q202-M204 HydrophobicContact CB-CG 4.2Å; M204-W206 HydrophobicContact CB-CH2 4.18Å; M204-W206 HydrophobicContact CB-CZ2 3.4Å; M204-W206 VanDerWaalsContact CB-CZ2 3.4Å; M204-W206 HydrophobicContact CE-CH2 3.38Å; M204-W206 HydrophobicContact CE-CZ2 3.83Å; M204-W206 HydrophobicContact CE-CZ3 4.18Å; M204-W206 HydrophobicContact CG-CZ2 4.16Å; M204-W206 PolarHBondContact O-NE1 3.11Å; M204-W206 HydrophobicContact SD-CH2 3.87Å; M204-W206 HydrophobicContact SD-CZ2 3.78Å; M204-F213 HydrophobicContact CB-CE2 4.19Å; M204-F213 HydrophobicContact CE-CD2 3.56Å; M204-F213 HydrophobicContact CE-CE2 3.18Å; M204-F213 HydrophobicContact CE-CG 4.49Å; M204-F213 HydrophobicContact CE-CZ 3.86Å; M204-F213 HydrophobicContact CG-CE2 4.34Å; M204-T216 HydrophobicContact CG-CG2 4.09Å
205L98.5Very high97Very high0 Ų038.3 Ų38.30%020%0.196CC..EExtended strand (participates in β ladder)trans-106.3138.2178.6-88.260.2000110.7C194 A195 L214 Y215 L217 L235 L248C194-L205 WeakPolarHBondContact O-CA 3.28Å; A195-L205 HydrophobicContact CB-CD1 3.99Å; A195-L205 HydrophobicContact CB-CG 4.43Å; L205-L214 HydrophobicContact CB-CB 4.35Å; L205-L214 WeakPolarHBondContact O-CB 3.24Å; L205-L214 PolarHBondContact O-N 3.37Å; L205-Y215 HydrophobicContact CD2-CE1 4.33Å; L205-Y215 HydrophobicContact CD2-CE2 3.7Å; L205-Y215 WeakPolarHBondContact CD2-OH 3.29Å; L205-Y215 PolarHBondContact N-O 2.9Å; L205-L217 HydrophobicContact CD1-CD1 4.03Å; L205-L217 HydrophobicContact CD2-CD1 4.49Å; L205-L235 HydrophobicContact CD1-CD2 3.71Å; L205-L248 HydrophobicContact CD2-CD1 3.94Å; L205-L248 HydrophobicContact CD2-CD2 3.79Å; L205-L248 HydrophobicContact CD2-CG 4.45Å
206W98.5Very high96.9Very high4 Ų440.7 Ų40.72%0.01521%0.211CC..EExtended strand (participates in β ladder)trans-130.9139.9-175.6-38.790.8000109.5H175 Y176 L193 C194 S196 M204 K212 F213H175-W206 HydrophobicContact CB-CD2 4.05Å; H175-W206 HydrophobicContact CB-CE3 3.66Å; H175-W206 HydrophobicContact CB-CH2 3.91Å; H175-W206 HydrophobicContact CB-CZ2 4.27Å; H175-W206 HydrophobicContact CB-CZ3 3.6Å; H175-W206 AromaticContact CG-CD2 3.96Å; H175-W206 AromaticContact CG-CE3 3.6Å; H175-W206 AromaticContact ND1-CE3 3.76Å; Y176-W206 WeakPolarHBondContact O-CH2 3.2Å; L193-W206 WeakPolarHBondContact CA-O 3.47Å; C194-W206 HydrophobicContact CB-CB 4.36Å; C194-W206 PolarHBondContact N-O 2.91Å; C194-W206 VanDerWaalsContact O-CD1 3.27Å; C194-W206 PolarHBondContact O-N 2.86Å; S196-W206 PolarHBondContact OG-NE1 3.02Å; M204-W206 HydrophobicContact CB-CH2 4.18Å; M204-W206 HydrophobicContact CB-CZ2 3.4Å; M204-W206 VanDerWaalsContact CB-CZ2 3.4Å; M204-W206 HydrophobicContact CE-CH2 3.38Å; M204-W206 HydrophobicContact CE-CZ2 3.83Å; M204-W206 HydrophobicContact CE-CZ3 4.18Å; M204-W206 HydrophobicContact CG-CZ2 4.16Å; M204-W206 PolarHBondContact O-NE1 3.11Å; M204-W206 HydrophobicContact SD-CH2 3.87Å; M204-W206 HydrophobicContact SD-CZ2 3.78Å; W206-K212 WeakPolarHBondContact CA-O 3.37Å; W206-F213 HydrophobicContact CD2-CD2 4.43Å; W206-F213 HydrophobicContact CE3-CB 3.79Å; W206-F213 AromaticContact CE3-CD2 3.79Å; W206-F213 HydrophobicContact CE3-CD2 3.79Å; W206-F213 HydrophobicContact CE3-CG 4.28Å; W206-F213 AromaticContact CH2-CD2 3.94Å; W206-F213 HydrophobicContact CH2-CD2 3.94Å; W206-F213 HydrophobicContact CZ3-CB 3.66Å; W206-F213 AromaticContact CZ3-CD2 3.51Å; W206-F213 HydrophobicContact CZ3-CD2 3.51Å; W206-F213 AromaticContact CZ3-CG 3.97Å; W206-F213 HydrophobicContact CZ3-CG 3.97Å
207D97.1Very high96.9Very high29 Ų2941.2 Ų41.216%0.15521%0.213CC..EExtended strand (participates in β ladder)trans-88.8117.2170.9-175.1-45000108.6A209 L210 N211 K212 L214D207-A209 PolarHBondContact OD1-N 3.3Å; D207-L210 HydrophobicContact CB-CB 4.32Å; D207-L210 PolarHBondContact OD1-N 3.33Å; D207-L210 WeakPolarHBondContact OD2-CD1 3.48Å; D207-N211 WeakPolarHBondContact O-CA 3.42Å; D207-N211 PolarHBondContact O-N 3.15Å; D207-K212 HydrophobicContact CB-CG 3.92Å; D207-K212 PolarHBondContact N-O 2.87Å; D207-K212 PolarHBondContact O-N 3.32Å; D207-L214 HydrophobicContact CB-CD1 4.12Å; D207-L214 HydrophobicContact CB-CD2 3.97Å; D207-L214 HydrophobicContact CB-CG 4.03Å
208L95.4Very high96.7Very high13 Ų1345.3 Ų45.37%0.06824%0.24CC..THydrogen-bonded Turntrans-79-24.5-175.3-69.2173.2000112.8I151 V153 V163 V187 S192 C194I151-L208 HydrophobicContact CD1-CB 4.23Å; I151-L208 HydrophobicContact CD1-CD1 4.08Å; I151-L208 HydrophobicContact CD1-CD2 4.14Å; I151-L208 HydrophobicContact CD1-CG 4.39Å; V153-L208 HydrophobicContact CG2-CD1 4.47Å; V153-L208 HydrophobicContact CG2-CD2 3.98Å; V163-L208 HydrophobicContact CG1-CD2 4.46Å; V163-L208 HydrophobicContact CG2-CD2 3.91Å; V187-L208 HydrophobicContact CG1-CD1 3.81Å; V187-L208 HydrophobicContact CG2-CD1 4.41Å; S192-L208 PolarHBondContact O-N 3.33Å; C194-L208 HydrophobicContact CB-CD1 4.05Å; C194-L208 HydrophobicContact CB-CD2 3.77Å; C194-L208 HydrophobicContact CB-CG 3.97Å
209A92.6Very high96.5Very high80 Ų8045.4 Ų45.466%0.66124%0.241SC*.THydrogen-bonded Turntrans-77.5-46177.400000110.7D207D207-A209 PolarHBondContact OD1-N 3.3Å
210L94.4Very high96.2Very high110 Ų11044.8 Ų44.858%0.57626%0.262SS*.THydrogen-bonded Turntrans-87.8-6.2-179.4-60.7-178.9000113.1D207 K212D207-L210 HydrophobicContact CB-CB 4.32Å; D207-L210 PolarHBondContact OD1-N 3.33Å; D207-L210 WeakPolarHBondContact OD2-CD1 3.48Å; L210-K212 HydrophobicContact CB-CD 3.99Å; L210-K212 HydrophobicContact CB-CG 3.93Å; L210-K212 HydrophobicContact CD1-CD 4.08Å; L210-K212 VanDerWaalsContact CD1-NZ 3.34Å; L210-K212 PolarHBondContact O-N 2.82Å
211N94.2Very high96Very high57 Ų5744.6 Ų44.631%0.30527%0.268SS..THydrogen-bonded Turntrans51.439.4-177.3-62.3-73.3000112.9T173 H175 D207T173-N211 HydrophobicContact CG2-CB 3.95Å; T173-N211 WeakPolarHBondContact CG2-OD1 3.32Å; H175-N211 PolarHBondContact CE1-O 3.28Å; D207-N211 WeakPolarHBondContact O-CA 3.42Å; D207-N211 PolarHBondContact O-N 3.15Å
212K95.9Very high96Very high99 Ų9947.1 Ų47.143%0.4328%0.28SS..EExtended strand (participates in β ladder)trans-122.3151.2-17671.1-179.9-174.8-173.20112.5W206 D207 L210 L214W206-K212 WeakPolarHBondContact CA-O 3.37Å; D207-K212 HydrophobicContact CB-CG 3.92Å; D207-K212 PolarHBondContact N-O 2.87Å; D207-K212 PolarHBondContact O-N 3.32Å; L210-K212 HydrophobicContact CB-CD 3.99Å; L210-K212 HydrophobicContact CB-CG 3.93Å; L210-K212 HydrophobicContact CD1-CD 4.08Å; L210-K212 VanDerWaalsContact CD1-NZ 3.34Å; L210-K212 PolarHBondContact O-N 2.82Å; K212-L214 HydrophobicContact CG-CD2 4.4Å
213F98Very high95.9Very high92 Ų9243.8 Ų43.840%0.40426%0.264SS..EExtended strand (participates in β ladder)trans-65.5139.3165.1174.5-111.9000110.4M204 W206 Y215 T216M204-F213 HydrophobicContact CB-CE2 4.19Å; M204-F213 HydrophobicContact CE-CD2 3.56Å; M204-F213 HydrophobicContact CE-CE2 3.18Å; M204-F213 HydrophobicContact CE-CG 4.49Å; M204-F213 HydrophobicContact CE-CZ 3.86Å; M204-F213 HydrophobicContact CG-CE2 4.34Å; W206-F213 HydrophobicContact CD2-CD2 4.43Å; W206-F213 HydrophobicContact CE3-CB 3.79Å; W206-F213 AromaticContact CE3-CD2 3.79Å; W206-F213 HydrophobicContact CE3-CD2 3.79Å; W206-F213 HydrophobicContact CE3-CG 4.28Å; W206-F213 AromaticContact CH2-CD2 3.94Å; W206-F213 HydrophobicContact CH2-CD2 3.94Å; W206-F213 HydrophobicContact CZ3-CB 3.66Å; W206-F213 AromaticContact CZ3-CD2 3.51Å; W206-F213 HydrophobicContact CZ3-CD2 3.51Å; W206-F213 AromaticContact CZ3-CG 3.97Å; W206-F213 HydrophobicContact CZ3-CG 3.97Å; F213-Y215 VanDerWaalsContact CE2-C 3.46Å; F213-Y215 WeakPolarHBondContact CE2-O 3.27Å; F213-T216 VanDerWaalsContact CZ-OG1 3.26Å; F213-T216 WeakPolarHBondContact CZ-OG1 3.05Å
214L96.5Very high95.6Very high57 Ų5744.4 Ų44.430%0.29827%0.268SS..EExtended strand (participates in β ladder)trans-102.7-70.2175.3-65.8178.9000111L193 L205 D207 K212L193-L214 HydrophobicContact CD2-CD1 3.52Å; L205-L214 HydrophobicContact CB-CB 4.35Å; L205-L214 WeakPolarHBondContact O-CB 3.24Å; L205-L214 PolarHBondContact O-N 3.37Å; D207-L214 HydrophobicContact CB-CD1 4.12Å; D207-L214 HydrophobicContact CB-CD2 3.97Å; D207-L214 HydrophobicContact CB-CG 4.03Å; K212-L214 HydrophobicContact CG-CD2 4.4Å
215Y96.7Very high95.3Very high49 Ų4944.2 Ų44.219%0.19227%0.268CS..EExtended strand (participates in β ladder)trans-164.4171.2-178.955.3-92.2000110.9L205 F213 L217L205-Y215 HydrophobicContact CD2-CE1 4.33Å; L205-Y215 HydrophobicContact CD2-CE2 3.7Å; L205-Y215 WeakPolarHBondContact CD2-OH 3.29Å; L205-Y215 PolarHBondContact N-O 2.9Å; F213-Y215 VanDerWaalsContact CE2-C 3.46Å; F213-Y215 WeakPolarHBondContact CE2-O 3.27Å; Y215-L217 HydrophobicContact CD2-CD2 4.19Å; Y215-L217 HydrophobicContact CD2-CG 4.21Å; Y215-L217 HydrophobicContact CE2-CD1 4.26Å; Y215-L217 HydrophobicContact CE2-CD2 3.94Å; Y215-L217 HydrophobicContact CE2-CG 4.01Å
216T97.7Very high95.2Very high50 Ų5044.7 Ų44.731%0.30727%0.27SS..EExtended strand (participates in β ladder)trans-116.8138.5-179.4-58.60000110.4Q202 A203 M204 F213Q202-T216 HydrophobicContact CB-CG2 3.65Å; Q202-T216 HydrophobicContact CG-CG2 4.08Å; A203-T216 CarbonylContact O-C 3.59Å; A203-T216 WeakPolarHBondContact O-CA 3.35Å; M204-T216 HydrophobicContact CG-CG2 4.09Å; F213-T216 VanDerWaalsContact CZ-OG1 3.26Å; F213-T216 WeakPolarHBondContact CZ-OG1 3.05Å
217L97.1Very high95Very high11 Ų1145.8 Ų45.86%0.05828%0.278CS..EExtended strand (participates in β ladder)trans-108.4116.7173.6-63168.2000109A203 L205 Y215 S219 L235 W246 L248A203-L217 HydrophobicContact CB-CB 4.1Å; A203-L217 PolarHBondContact N-O 3.22Å; A203-L217 PolarHBondContact O-N 3.26Å; L205-L217 HydrophobicContact CD1-CD1 4.03Å; L205-L217 HydrophobicContact CD2-CD1 4.49Å; Y215-L217 HydrophobicContact CD2-CD2 4.19Å; Y215-L217 HydrophobicContact CD2-CG 4.21Å; Y215-L217 HydrophobicContact CE2-CD1 4.26Å; Y215-L217 HydrophobicContact CE2-CD2 3.94Å; Y215-L217 HydrophobicContact CE2-CG 4.01Å; L217-S219 PolarHBondContact O-N 2.84Å; L217-L235 HydrophobicContact CD1-CD2 4.23Å; L217-W246 HydrophobicContact CB-CD2 4.19Å; L217-W246 HydrophobicContact CB-CZ2 4.21Å; L217-W246 HydrophobicContact CD1-CB 3.98Å; L217-W246 HydrophobicContact CD1-CD2 3.93Å; L217-W246 HydrophobicContact CD1-CE3 4.23Å; L217-W246 HydrophobicContact CD1-CG 3.81Å; L217-W246 HydrophobicContact CD2-CG 4.24Å; L217-W246 HydrophobicContact CG-CG 4.41Å; L217-L248 HydrophobicContact CD1-CD2 3.67Å
218P94.3Very high94.9Very high87 Ų8745 Ų4557%0.56527%0.273SS*.EExtended strand (participates in β ladder)trans-75.6117.9-178.229.3-33000110.3
219S92.9Very high94.8Very high2 Ų244.4 Ų44.41%0.01427%0.271CS..  trans-85.6-28179.271.90000113.1G201 L217 G221 I223 K244G201-S219 VanDerWaalsContact C-OG 3.23Å; G201-S219 WeakPolarHBondContact CA-OG 3.26Å; G201-S219 WeakPolarHBondContact O-CB 3.35Å; G201-S219 PolarHBondContact O-N 3.03Å; G201-S219 PolarHBondContact O-OG 2.98Å; L217-S219 PolarHBondContact O-N 2.84Å; S219-G221 VanDerWaalsContact C-N 3.32Å; S219-G221 PolarHBondContact OG-N 2.78Å; S219-G221 PolarHBondContact OG-O 3.36Å; S219-I223 WeakPolarHBondContact OG-CG1 3.27Å; S219-K244 WeakPolarHBondContact O-CD 3.32Å; S219-K244 WeakPolarHBondContact O-CE 3.41Å; S219-K244 PolarHBondContact O-NZ 3.25Å
220G90.8Very high94.7Very high84 Ų8443.2 Ų43.287%0.86626%0.256SS*.SBendtrans81.94.3-17700000114.7
221G94.3Very high94.4Very high28 Ų2841.9 Ų41.929%0.28925%0.25SC..SBendtrans-164.7-177.8178.700000111.8G201 S219 I223G201-G221 WeakPolarHBondContact CA-O 3.34Å; S219-G221 VanDerWaalsContact C-N 3.32Å; S219-G221 PolarHBondContact OG-N 2.78Å; S219-G221 PolarHBondContact OG-O 3.36Å; G221-I223 PolarHBondContact O-N 2.82Å
222I96Very high94.1Very high55 Ų5543.2 Ų43.228%0.28225%0.25SS..  trans-67129.4178.5-56.5174.1000109.3N183 K199 V239N183-I222 WeakPolarHBondContact ND2-CG2 3.48Å; K199-I222 HydrophobicContact CD-CD1 3.64Å; K199-I222 HydrophobicContact CD-CG1 3.86Å; I222-V239 WeakPolarHBondContact O-CA 3.48Å
223I97Very high94Very high0 Ų043.5 Ų43.50%025%0.249CC..EExtended strand (participates in β ladder)trans-86.1117.1173-62.6162.8000108.3N183 T184 G198 Q202 A203 S219 G221 L226 A237 A238 V239N183-I223 WeakPolarHBondContact CB-O 3.27Å; N183-I223 PolarHBondContact ND2-O 3.4Å; T184-I223 HydrophobicContact CG2-CG2 4.17Å; G198-I223 PolarHBondContact O-N 3.37Å; Q202-I223 VanDerWaalsContact O-CD1 3.31Å; Q202-I223 WeakPolarHBondContact O-CD1 3.44Å; A203-I223 HydrophobicContact CB-CD1 3.77Å; S219-I223 WeakPolarHBondContact OG-CG1 3.27Å; G221-I223 PolarHBondContact O-N 2.82Å; I223-L226 HydrophobicContact CG2-CD1 4.36Å; I223-L226 HydrophobicContact CG2-CD2 3.87Å; I223-L226 HydrophobicContact CG2-CG 3.76Å; I223-A237 HydrophobicContact CG2-CB 4.28Å; I223-A238 WeakPolarHBondContact CA-O 2.87Å; I223-V239 HydrophobicContact CG1-CG2 4.22Å
224N91.6Very high93.9Very high13 Ų1341 Ų417%0.0724%0.237CC..EExtended strand (participates in β ladder)trans-88.7-41.9179.3-66.5-34.8000111.5R5 A238 S274 C275R5-N224 PolarHBondContact NH1-O 3.07Å; N224-A238 HydrophobicContact CB-CB 4.29Å; N224-A238 PolarHBondContact N-O 3.08Å; N224-S274 PolarHBondContact ND2-OG 3.12Å; N224-C275 PolarHBondContact ND2-O 2.94Å
225A92.7Very high94Very high8 Ų838.2 Ų38.27%0.06622%0.223CC..EExtended strand (participates in β ladder)trans-145.7152.8-179.200000111.1A237 A238A225-A237 WeakPolarHBondContact O-CA 3.44Å; A225-A238 HydrophobicContact CB-CB 4.07Å; A225-A238 PolarHBondContact O-N 3.41Å
226L95.7Very high94Very high11 Ų1135.9 Ų35.96%0.05821%0.214CC..EExtended strand (participates in β ladder)trans-130.7143.4174.4-71.8173.1000109.3T184 T186 A195 A203 I223 L235 C236 A237T184-L226 HydrophobicContact CG2-CB 3.9Å; T184-L226 HydrophobicContact CG2-CD1 3.86Å; T184-L226 HydrophobicContact CG2-CG 3.66Å; T186-L226 HydrophobicContact CG2-CB 3.62Å; A195-L226 HydrophobicContact CB-CD1 4.11Å; A203-L226 HydrophobicContact CB-CD2 4.47Å; I223-L226 HydrophobicContact CG2-CD1 4.36Å; I223-L226 HydrophobicContact CG2-CD2 3.87Å; I223-L226 HydrophobicContact CG2-CG 3.76Å; L226-L235 HydrophobicContact CB-CD1 4.44Å; L226-L235 HydrophobicContact CD2-CD1 4.23Å; L226-L235 HydrophobicContact CD2-CD2 4.33Å; L226-L235 HydrophobicContact CD2-CG 4.3Å; L226-C236 VanDerWaalsContact CA-O 3.31Å; L226-C236 WeakPolarHBondContact CA-O 3.39Å; L226-A237 HydrophobicContact CD2-CB 3.51Å
227C93.3Very high94Very high26 Ų2633.5 Ų33.518%0.17620%0.199CC..EExtended strand (participates in β ladder)trans-151133.4171.6-165.50000110.2C236 L278C227-C236 PolarHBondContact N-O 3.2Å; C227-C236 WeakPolarHBondContact O-CB 3.45Å; C227-C236 PolarHBondContact O-N 2.85Å; C227-L278 HydrophobicContact CB-CB 4.26Å
228F95.8Very high93.9Very high12 Ų1233 Ų335%0.05320%0.196CC..EExtended strand (participates in β ladder)trans-76145.3169.4-75.8-84.9000110T186 V187 L193 A195 W234 L235 L248 W280T186-F228 HydrophobicContact CG2-CD2 3.59Å; T186-F228 HydrophobicContact CG2-CE2 3.69Å; V187-F228 VanDerWaalsContact C-CD2 3.48Å; V187-F228 WeakPolarHBondContact O-CD2 3.43Å; L193-F228 HydrophobicContact CB-CZ 4.08Å; L193-F228 HydrophobicContact CD1-CE1 4.47Å; A195-F228 HydrophobicContact CB-CE2 3.88Å; A195-F228 HydrophobicContact CB-CZ 3.83Å; F228-W234 WeakPolarHBondContact CA-O 3.31Å; F228-L235 HydrophobicContact CD1-CB 4.47Å; F228-L235 HydrophobicContact CD1-CD1 4.19Å; F228-L235 HydrophobicContact CD2-CD1 4.29Å; F228-L235 HydrophobicContact CE1-CB 4.45Å; F228-L235 HydrophobicContact CE1-CD1 4.2Å; F228-L235 HydrophobicContact CE2-CD1 4.3Å; F228-L235 HydrophobicContact CG-CD1 4.25Å; F228-L235 HydrophobicContact CZ-CD1 4.25Å; F228-L248 HydrophobicContact CD1-CD1 4.19Å; F228-L248 HydrophobicContact CE1-CD1 3.6Å; F228-W280 VanDerWaalsContact O-CD1 3.22Å
229S94.4Very high93.9Very high2 Ų229.3 Ų29.31%0.01417%0.172CC..  trans-66.1139.8164.7171.60000109.7N231 R232 W234S229-N231 VanDerWaalsContact C-N 3.34Å; S229-N231 PolarHBondContact OG-N 3.45Å; S229-N231 PolarHBondContact OG-OD1 2.86Å; S229-R232 WeakPolarHBondContact CB-O 3.5Å; S229-R232 PolarHBondContact OG-N 2.65Å; S229-W234 PolarHBondContact N-O 2.84Å
230P90.2Very high93.7Very high55 Ų5530.7 Ų30.736%0.35719%0.187SC..SBendtrans-75-21.6178.129.8-34.7000113.5W280 S281 G284P230-W280 HydrophobicContact CG-CB 4.22Å; P230-S281 WeakPolarHBondContact CG-O 3.34Å; P230-G284 VanDerWaalsContact CG-CA 3.49Å
231N88Confident93.6Very high82 Ų8228.6 Ų28.644%0.43916%0.159SC..SBendtrans-122.4-12.4-170.967.4-1.1000114.2S229 D283 G284S229-N231 VanDerWaalsContact C-N 3.34Å; S229-N231 PolarHBondContact OG-N 3.45Å; S229-N231 PolarHBondContact OG-OD1 2.86Å; N231-D283 PolarHBondContact ND2-O 3.03Å; N231-G284 VanDerWaalsContact ND2-CA 3.34Å; N231-G284 WeakPolarHBondContact ND2-CA 3.36Å; N231-G284 PolarHBondContact ND2-O 2.73Å
232R87.5Confident93.6Very high85 Ų8527.7 Ų27.732%0.32115%0.148SC..SBendtrans-124.9153.1178.8-69.7179.6-174-172.92.4109.2S229 W234 A302S229-R232 WeakPolarHBondContact CB-O 3.5Å; S229-R232 PolarHBondContact OG-N 2.65Å; R232-W234 HydrophobicContact CB-CB 4.34Å; R232-W234 HydrophobicContact CB-CD2 3.87Å; R232-W234 HydrophobicContact CB-CE3 4.31Å; R232-W234 HydrophobicContact CB-CG 3.83Å; R232-W234 PolarHBondContact O-N 3.1Å; R232-A302 VanDerWaalsContact CZ-O 3.25Å; R232-A302 PolarHBondContact NH1-O 3.08Å; R232-A302 PolarHBondContact NH2-O 2.86Å; R232-A302 PolarHBondContact NH2-OXT 2.79Å
233Y93.8Very high93.6Very high105 Ų10525 Ų2541%0.41214%0.135SC..SBendtrans-79.157.4176.5-159.6-132.6000111.2L193 L248 E249L193-Y233 HydrophobicContact CD1-CE2 3.97Å; L193-Y233 WeakPolarHBondContact CD1-OH 3.24Å; Y233-L248 HydrophobicContact CD1-CB 3.58Å; Y233-L248 HydrophobicContact CE1-CB 3.57Å; Y233-L248 HydrophobicContact CE2-CD1 4.49Å; Y233-L248 HydrophobicContact CG-CB 4.12Å; Y233-L248 WeakPolarHBondContact O-CB 3.33Å; Y233-L248 PolarHBondContact O-N 2.99Å; Y233-E249 HydrophobicContact CD1-CB 3.89Å; Y233-E249 VanDerWaalsContact CD1-N 3.31Å
234W96.4Very high93.6Very high38 Ų3826.7 Ų26.714%0.14414%0.142CC..EExtended strand (participates in β ladder)trans-117.7144.9-173.8-69.6-2.5000111.8F228 S229 R232 I245 W246 W280 M301F228-W234 WeakPolarHBondContact CA-O 3.31Å; S229-W234 PolarHBondContact N-O 2.84Å; R232-W234 HydrophobicContact CB-CB 4.34Å; R232-W234 HydrophobicContact CB-CD2 3.87Å; R232-W234 HydrophobicContact CB-CE3 4.31Å; R232-W234 HydrophobicContact CB-CG 3.83Å; R232-W234 PolarHBondContact O-N 3.1Å; W234-I245 HydrophobicContact CB-CG2 4.2Å; W234-I245 HydrophobicContact CD2-CG2 3.94Å; W234-I245 HydrophobicContact CE3-CG2 3.77Å; W234-I245 HydrophobicContact CG-CG2 4.19Å; W234-I245 HydrophobicContact CZ3-CG2 4.36Å; W234-W246 CarbonylContact C-O 3.51Å; W234-W246 WeakPolarHBondContact CA-O 3.32Å; W234-W280 HydrophobicContact CE3-CH2 4.28Å; W234-W280 HydrophobicContact CE3-CZ2 4.44Å; W234-W280 HydrophobicContact CZ3-CH2 4.46Å; W234-M301 HydrophobicContact CH2-CE 4.2Å; W234-M301 HydrophobicContact CZ3-CE 3.62Å
235L97.9Very high93.9Very high0 Ų026.1 Ų26.10%014%0.139CC..EExtended strand (participates in β ladder)trans-116.8127168.5179.364.8000109.9T186 A195 A203 L205 L217 L226 F228 I245 W246 L248T186-L235 HydrophobicContact CG2-CD1 4.12Å; A195-L235 HydrophobicContact CB-CD1 3.86Å; A195-L235 HydrophobicContact CB-CD2 3.7Å; A195-L235 HydrophobicContact CB-CG 4.47Å; A203-L235 HydrophobicContact CB-CD2 4.45Å; L205-L235 HydrophobicContact CD1-CD2 3.71Å; L217-L235 HydrophobicContact CD1-CD2 4.23Å; L226-L235 HydrophobicContact CB-CD1 4.44Å; L226-L235 HydrophobicContact CD2-CD1 4.23Å; L226-L235 HydrophobicContact CD2-CD2 4.33Å; L226-L235 HydrophobicContact CD2-CG 4.3Å; F228-L235 HydrophobicContact CD1-CB 4.47Å; F228-L235 HydrophobicContact CD1-CD1 4.19Å; F228-L235 HydrophobicContact CD2-CD1 4.29Å; F228-L235 HydrophobicContact CE1-CB 4.45Å; F228-L235 HydrophobicContact CE1-CD1 4.2Å; F228-L235 HydrophobicContact CE2-CD1 4.3Å; F228-L235 HydrophobicContact CG-CD1 4.25Å; F228-L235 HydrophobicContact CZ-CD1 4.25Å; L235-I245 WeakPolarHBondContact O-CA 3.43Å; L235-W246 HydrophobicContact CG-CE3 4.47Å; L235-W246 PolarHBondContact N-O 3.39Å; L235-W246 PolarHBondContact O-N 3.22Å; L235-L248 HydrophobicContact CB-CD1 4.12Å; L235-L248 HydrophobicContact CB-CD2 4.03Å; L235-L248 HydrophobicContact CB-CG 4.27Å
236C97.1Very high94.1Very high0 Ų026.2 Ų26.20%014%0.137CC..EExtended strand (participates in β ladder)trans-102.7136.7174.3-58.80000110.4L226 C227 I243 K244 L278 W280 L287L226-C236 VanDerWaalsContact CA-O 3.31Å; L226-C236 WeakPolarHBondContact CA-O 3.39Å; C227-C236 PolarHBondContact N-O 3.2Å; C227-C236 WeakPolarHBondContact O-CB 3.45Å; C227-C236 PolarHBondContact O-N 2.85Å; C236-I243 HydrophobicContact CB-CG2 4.43Å; C236-K244 CarbonylContact C-O 3.55Å; C236-K244 VanDerWaalsContact CA-O 3.27Å; C236-K244 WeakPolarHBondContact CA-O 3.41Å; C236-L278 HydrophobicContact CB-CD1 3.89Å; C236-W280 WeakPolarHBondContact SG-CZ2 3.33Å; C236-W280 PolarHBondContact SG-NE1 2.83Å; C236-L287 HydrophobicContact CB-CD2 4.5Å
237A97.1Very high94.1Very high0 Ų026.9 Ų26.90%014%0.141CC..EExtended strand (participates in β ladder)trans-125.3132.7170.700000112I223 A225 L226 V239 I243 K244 W246I223-A237 HydrophobicContact CG2-CB 4.28Å; A225-A237 WeakPolarHBondContact O-CA 3.44Å; L226-A237 HydrophobicContact CD2-CB 3.51Å; A237-V239 HydrophobicContact CB-CG2 3.66Å; A237-V239 PolarHBondContact O-N 3.37Å; A237-I243 CarbonylContact O-C 3.6Å; A237-I243 VanDerWaalsContact O-CA 3.27Å; A237-I243 WeakPolarHBondContact O-CA 3.2Å; A237-K244 PolarHBondContact N-O 3.47Å; A237-K244 PolarHBondContact O-N 2.87Å; A237-W246 HydrophobicContact CB-CH2 3.82Å; A237-W246 HydrophobicContact CB-CZ3 3.45Å; A237-W246 VanDerWaalsContact CB-CZ3 3.45Å
238A94.7Very high94.2Very high0 Ų025.8 Ų25.80%013%0.134CC..EExtended strand (participates in β ladder)trans-81.3112.8166.500000108.8I223 N224 A225 C275 L278I223-A238 WeakPolarHBondContact CA-O 2.87Å; N224-A238 HydrophobicContact CB-CB 4.29Å; N224-A238 PolarHBondContact N-O 3.08Å; A225-A238 HydrophobicContact CB-CB 4.07Å; A225-A238 PolarHBondContact O-N 3.41Å; A238-C275 HydrophobicContact CB-CB 3.91Å; A238-C275 WeakPolarHBondContact CB-SG 3.5Å; A238-L278 HydrophobicContact CB-CD1 3.99Å; A238-L278 HydrophobicContact CB-CD2 4.48Å; A238-L278 HydrophobicContact CB-CG 3.98Å; A238-L278 VanDerWaalsContact N-CD1 3.35Å
239V95Very high94.1Very high9 Ų932.2 Ų32.26%0.05516%0.164CC..EExtended strand (participates in β ladder)trans-131.6104.3-170.9-171.60000109.7I222 I223 A237 S241 S242 K244I222-V239 WeakPolarHBondContact O-CA 3.48Å; I223-V239 HydrophobicContact CG1-CG2 4.22Å; A237-V239 HydrophobicContact CB-CG2 3.66Å; A237-V239 PolarHBondContact O-N 3.37Å; V239-S241 PolarHBondContact O-N 3Å; V239-S241 VanDerWaalsContact O-N 3.1Å; V239-S242 PolarHBondContact N-O 3.49Å; V239-S242 PolarHBondContact O-N 2.84Å; V239-K244 HydrophobicContact CG2-CD 4.47Å; V239-K244 HydrophobicContact CG2-CG 4.38Å
240G88.6Confident94Very high32 Ų3237.1 Ų37.133%0.3319%0.19SC..THydrogen-bonded Turntrans56-120.6-17600000110.4S274 C275G240-S274 CarbonylContact O-C 3.57Å; G240-S274 WeakPolarHBondContact O-CA 3.41Å; G240-S274 WeakPolarHBondContact O-CB 3.5Å; G240-S274 PolarHBondContact O-OG 3.3Å; G240-C275 PolarHBondContact O-N 3.4Å
241S89.7Confident94.1Very high39 Ų3941 Ų4127%0.27320%0.201SC..THydrogen-bonded Turntrans-947179.163.90000114.9V239 P259 P273V239-S241 PolarHBondContact O-N 3Å; V239-S241 VanDerWaalsContact O-N 3.1Å; S241-P259 VanDerWaalsContact O-CD 3.27Å; S241-P259 WeakPolarHBondContact O-CD 3.43Å; S241-P273 VanDerWaalsContact CA-O 3.29Å; S241-P273 WeakPolarHBondContact CA-O 3.47Å; S241-P273 WeakPolarHBondContact CB-O 3.35Å
242S94Very high94.4Very high9 Ų940.7 Ų40.76%0.06320%0.202CC..EExtended strand (participates in β ladder)trans-127.8166.9-177.681.60000113V239 D256 L257V239-S242 PolarHBondContact N-O 3.49Å; V239-S242 PolarHBondContact O-N 2.84Å; S242-D256 WeakPolarHBondContact CB-OD1 3.33Å; S242-D256 PolarHBondContact OG-OD1 2.93Å; S242-L257 CarbonylContact C-O 3.26Å; S242-L257 VanDerWaalsContact CA-O 3.26Å; S242-L257 WeakPolarHBondContact CA-O 3.49Å; S242-L257 WeakPolarHBondContact CB-O 3.3Å
243I95.5Very high94.8Very high0 Ų040.5 Ų40.50%021%0.207CC..EExtended strand (participates in β ladder)trans-120111.6175.2-50.9165.7000107.5C236 A237 I245 D256 L257 C275 L278 L287 A289 F291 W299C236-I243 HydrophobicContact CB-CG2 4.43Å; A237-I243 CarbonylContact O-C 3.6Å; A237-I243 VanDerWaalsContact O-CA 3.27Å; A237-I243 WeakPolarHBondContact O-CA 3.2Å; I243-I245 HydrophobicContact CG2-CG1 4.49Å; I243-D256 CarbonylContact O-C 3.37Å; I243-L257 HydrophobicContact CB-CB 4.17Å; I243-L257 PolarHBondContact N-O 2.81Å; I243-L257 PolarHBondContact O-N 2.8Å; I243-C275 HydrophobicContact CG1-CB 4.36Å; I243-L278 HydrophobicContact CD1-CD2 3.79Å; I243-L278 HydrophobicContact CG1-CD2 3.97Å; I243-L278 HydrophobicContact CG2-CD1 4.03Å; I243-L278 HydrophobicContact CG2-CD2 3.83Å; I243-L287 HydrophobicContact CG2-CD2 4.04Å; I243-A289 HydrophobicContact CD1-CB 3.43Å; I243-A289 VanDerWaalsContact CD1-CB 3.43Å; I243-A289 HydrophobicContact CG1-CB 4.46Å; I243-F291 HydrophobicContact CD1-CZ 4.45Å; I243-W299 HydrophobicContact CD1-CE3 4.07Å; I243-W299 HydrophobicContact CD1-CH2 3.93Å; I243-W299 HydrophobicContact CD1-CZ2 4.48Å; I243-W299 HydrophobicContact CD1-CZ3 3.72Å
244K97.2Very high94.8Very high35 Ų3537.8 Ų37.815%0.15221%0.206CC..EExtended strand (participates in β ladder)trans-87.9132.7176.5-70.1-166.7172.5-142.40110.1S219 C236 A237 V239 W246 L253S219-K244 WeakPolarHBondContact O-CD 3.32Å; S219-K244 WeakPolarHBondContact O-CE 3.41Å; S219-K244 PolarHBondContact O-NZ 3.25Å; C236-K244 CarbonylContact C-O 3.55Å; C236-K244 VanDerWaalsContact CA-O 3.27Å; C236-K244 WeakPolarHBondContact CA-O 3.41Å; A237-K244 PolarHBondContact N-O 3.47Å; A237-K244 PolarHBondContact O-N 2.87Å; V239-K244 HydrophobicContact CG2-CD 4.47Å; V239-K244 HydrophobicContact CG2-CG 4.38Å; K244-W246 HydrophobicContact CB-CE3 4.43Å; K244-W246 HydrophobicContact CB-CH2 3.64Å; K244-W246 HydrophobicContact CB-CZ2 3.89Å; K244-W246 HydrophobicContact CB-CZ3 3.93Å; K244-W246 HydrophobicContact CD-CH2 4.12Å; K244-W246 HydrophobicContact CD-CZ2 3.87Å; K244-W246 HydrophobicContact CG-CH2 4.5Å; K244-L253 HydrophobicContact CB-CD1 3.88Å; K244-L253 HydrophobicContact CD-CD1 4.23Å; K244-L253 HydrophobicContact CG-CD1 4.19Å
245I97.2Very high94.7Very high0 Ų039.5 Ų39.50%022%0.218CC..EExtended strand (participates in β ladder)trans-119.2116.7177.3-54.4-173.8000107.6W234 L235 I243 L253 A254 D255 L257 L287 M301W234-I245 HydrophobicContact CB-CG2 4.2Å; W234-I245 HydrophobicContact CD2-CG2 3.94Å; W234-I245 HydrophobicContact CE3-CG2 3.77Å; W234-I245 HydrophobicContact CG-CG2 4.19Å; W234-I245 HydrophobicContact CZ3-CG2 4.36Å; L235-I245 WeakPolarHBondContact O-CA 3.43Å; I243-I245 HydrophobicContact CG2-CG1 4.49Å; I245-L253 CarbonylContact O-C 3.59Å; I245-A254 HydrophobicContact CG2-CB 4.39Å; I245-A254 WeakPolarHBondContact O-CA 3.34Å; I245-A254 WeakPolarHBondContact O-CB 3.29Å; I245-A254 PolarHBondContact O-N 3.2Å; I245-D255 HydrophobicContact CB-CB 4.23Å; I245-D255 HydrophobicContact CD1-CB 4.45Å; I245-D255 HydrophobicContact CG1-CB 4.49Å; I245-D255 PolarHBondContact N-O 2.88Å; I245-D255 PolarHBondContact O-N 3.47Å; I245-D255 VanDerWaalsContact O-N 3.15Å; I245-L257 HydrophobicContact CD1-CD1 3.62Å; I245-L257 HydrophobicContact CD1-CG 4.15Å; I245-L257 HydrophobicContact CG1-CD1 4.46Å; I245-L287 HydrophobicContact CD1-CD2 4.14Å; I245-M301 HydrophobicContact CD1-CE 3.47Å; I245-M301 VanDerWaalsContact CD1-CE 3.47Å; I245-M301 HydrophobicContact CD1-SD 4.31Å
246W97.8Very high94.5Very high10 Ų1041.4 Ų41.44%0.03823%0.228CC..EExtended strand (participates in β ladder)trans-100.5135.6172.8-65.3-85.3000110.6A203 L217 W234 L235 A237 K244 L248 V252 L253A203-W246 HydrophobicContact CB-CH2 4.44Å; A203-W246 HydrophobicContact CB-CZ3 4.41Å; L217-W246 HydrophobicContact CB-CD2 4.19Å; L217-W246 HydrophobicContact CB-CZ2 4.21Å; L217-W246 HydrophobicContact CD1-CB 3.98Å; L217-W246 HydrophobicContact CD1-CD2 3.93Å; L217-W246 HydrophobicContact CD1-CE3 4.23Å; L217-W246 HydrophobicContact CD1-CG 3.81Å; L217-W246 HydrophobicContact CD2-CG 4.24Å; L217-W246 HydrophobicContact CG-CG 4.41Å; W234-W246 CarbonylContact C-O 3.51Å; W234-W246 WeakPolarHBondContact CA-O 3.32Å; L235-W246 HydrophobicContact CG-CE3 4.47Å; L235-W246 PolarHBondContact N-O 3.39Å; L235-W246 PolarHBondContact O-N 3.22Å; A237-W246 HydrophobicContact CB-CH2 3.82Å; A237-W246 HydrophobicContact CB-CZ3 3.45Å; A237-W246 VanDerWaalsContact CB-CZ3 3.45Å; K244-W246 HydrophobicContact CB-CE3 4.43Å; K244-W246 HydrophobicContact CB-CH2 3.64Å; K244-W246 HydrophobicContact CB-CZ2 3.89Å; K244-W246 HydrophobicContact CB-CZ3 3.93Å; K244-W246 HydrophobicContact CD-CH2 4.12Å; K244-W246 HydrophobicContact CD-CZ2 3.87Å; K244-W246 HydrophobicContact CG-CH2 4.5Å; W246-L248 HydrophobicContact CB-CD2 4.15Å; W246-V252 CarbonylContact C-O 3.6Å; W246-V252 WeakPolarHBondContact CA-O 3.32Å; W246-L253 HydrophobicContact CD2-CD1 4.3Å; W246-L253 HydrophobicContact CG-CD1 4.31Å; W246-L253 HydrophobicContact CZ2-CD1 4.45Å
247D95.9Very high94.4Very high25 Ų2542.2 Ų42.213%0.13423%0.232CC..EExtended strand (participates in β ladder)trans-82.1114.8160.2179.5-20.4000108.1E249 N250 K251 V252 A254D247-E249 WeakPolarHBondContact OD1-CA 3.46Å; D247-E249 VanDerWaalsContact OD1-CB 3.32Å; D247-E249 WeakPolarHBondContact OD1-CB 3.4Å; D247-E249 PolarHBondContact OD1-N 3.3Å; D247-N250 PolarHBondContact OD1-N 3.22Å; D247-N250 VanDerWaalsContact OD1-N 3.08Å; D247-N250 PolarHBondContact OD2-ND2 2.88Å; D247-K251 CarbonylContact O-C 3.55Å; D247-K251 WeakPolarHBondContact O-CA 2.97Å; D247-K251 PolarHBondContact O-N 2.96Å; D247-V252 HydrophobicContact CB-CG2 4.07Å; D247-V252 PolarHBondContact N-O 3.36Å; D247-V252 PolarHBondContact O-N 2.86Å; D247-V252 VanDerWaalsContact O-N 3.12Å; D247-A254 HydrophobicContact CB-CB 4.27Å
248L95.1Very high94.1Very high4 Ų449.8 Ų49.82%0.02126%0.261CS..THydrogen-bonded Turntrans-82.6-18.3-176.3-57.6-176000113.1L205 L217 F228 Y233 L235 W246L205-L248 HydrophobicContact CD2-CD1 3.94Å; L205-L248 HydrophobicContact CD2-CD2 3.79Å; L205-L248 HydrophobicContact CD2-CG 4.45Å; L217-L248 HydrophobicContact CD1-CD2 3.67Å; F228-L248 HydrophobicContact CD1-CD1 4.19Å; F228-L248 HydrophobicContact CE1-CD1 3.6Å; Y233-L248 HydrophobicContact CD1-CB 3.58Å; Y233-L248 HydrophobicContact CE1-CB 3.57Å; Y233-L248 HydrophobicContact CE2-CD1 4.49Å; Y233-L248 HydrophobicContact CG-CB 4.12Å; Y233-L248 WeakPolarHBondContact O-CB 3.33Å; Y233-L248 PolarHBondContact O-N 2.99Å; L235-L248 HydrophobicContact CB-CD1 4.12Å; L235-L248 HydrophobicContact CB-CD2 4.03Å; L235-L248 HydrophobicContact CB-CG 4.27Å; W246-L248 HydrophobicContact CB-CD2 4.15Å
249E92.9Very high93.5Very high147 Ų14750.4 Ų50.469%0.68727%0.265SS*.THydrogen-bonded Turntrans-72.2-51.9176.1-171167.9-169.600108.5Y233 D247Y233-E249 HydrophobicContact CD1-CB 3.89Å; Y233-E249 VanDerWaalsContact CD1-N 3.31Å; D247-E249 WeakPolarHBondContact OD1-CA 3.46Å; D247-E249 VanDerWaalsContact OD1-CB 3.32Å; D247-E249 WeakPolarHBondContact OD1-CB 3.4Å; D247-E249 PolarHBondContact OD1-N 3.3Å
250N93.3Very high92.4Very high105 Ų10558.9 Ų58.956%0.56130%0.304SS*.THydrogen-bonded Turntrans-87.5-10.4-179.1-64.9-59.9000113.2D247 V252D247-N250 PolarHBondContact OD1-N 3.22Å; D247-N250 VanDerWaalsContact OD1-N 3.08Å; D247-N250 PolarHBondContact OD2-ND2 2.88Å; N250-V252 VanDerWaalsContact C-N 3.27Å; N250-V252 HydrophobicContact CB-CG2 3.93Å; N250-V252 PolarHBondContact O-N 3.21Å
251K90.5Very high91.2Very high136 Ų13663.2 Ų63.259%0.59132%0.319SS*.THydrogen-bonded Turntrans56.238-177.8-56.5178.6-177.6175.70113.3D247D247-K251 CarbonylContact O-C 3.55Å; D247-K251 WeakPolarHBondContact O-CA 2.97Å; D247-K251 PolarHBondContact O-N 2.96Å
252V94.6Very high89.5Confident76 Ų7668.5 Ų68.546%0.46134%0.342SS..EExtended strand (participates in β ladder)trans-117155.1179.8-64.80000111.1W246 D247 N250 A254W246-V252 CarbonylContact C-O 3.6Å; W246-V252 WeakPolarHBondContact CA-O 3.32Å; D247-V252 HydrophobicContact CB-CG2 4.07Å; D247-V252 PolarHBondContact N-O 3.36Å; D247-V252 PolarHBondContact O-N 2.86Å; D247-V252 VanDerWaalsContact O-N 3.12Å; N250-V252 VanDerWaalsContact C-N 3.27Å; N250-V252 HydrophobicContact CB-CG2 3.93Å; N250-V252 PolarHBondContact O-N 3.21Å; V252-A254 PolarHBondContact O-N 2.88Å
253L95.8Very high87.3Confident80 Ų8074.2 Ų74.242%0.41938%0.383SS..EExtended strand (participates in β ladder)trans-74.2107.5166.3-175.471.7000107.6K244 I245 W246 D255 D256K244-L253 HydrophobicContact CB-CD1 3.88Å; K244-L253 HydrophobicContact CD-CD1 4.23Å; K244-L253 HydrophobicContact CG-CD1 4.19Å; I245-L253 CarbonylContact O-C 3.59Å; W246-L253 HydrophobicContact CD2-CD1 4.3Å; W246-L253 HydrophobicContact CG-CD1 4.31Å; W246-L253 HydrophobicContact CZ2-CD1 4.45Å; L253-D255 WeakPolarHBondContact CD1-O 3.38Å; L253-D256 HydrophobicContact CD2-CB 4.44Å
254A94.5Very high85.1Confident48 Ų4877.7 Ų77.740%0.39742%0.419SS..EExtended strand (participates in β ladder)trans-74-39179.500000111.4I245 D247 V252I245-A254 HydrophobicContact CG2-CB 4.39Å; I245-A254 WeakPolarHBondContact O-CA 3.34Å; I245-A254 WeakPolarHBondContact O-CB 3.29Å; I245-A254 PolarHBondContact O-N 3.2Å; D247-A254 HydrophobicContact CB-CB 4.27Å; V252-A254 PolarHBondContact O-N 2.88Å
255D94.1Very high82.8Confident74 Ų7479 Ų7940%0.39643%0.432SS..EExtended strand (participates in β ladder)trans-154.8158.6179.2-144.1-32.8000112.9I245 L253 L257I245-D255 HydrophobicContact CB-CB 4.23Å; I245-D255 HydrophobicContact CD1-CB 4.45Å; I245-D255 HydrophobicContact CG1-CB 4.49Å; I245-D255 PolarHBondContact N-O 2.88Å; I245-D255 PolarHBondContact O-N 3.47Å; I245-D255 VanDerWaalsContact O-N 3.15Å; L253-D255 WeakPolarHBondContact CD1-O 3.38Å; D255-L257 HydrophobicContact CB-CD2 4.22Å; D255-L257 HydrophobicContact CB-CG 4.44Å; D255-L257 VanDerWaalsContact CG-CD2 3.47Å; D255-L257 WeakPolarHBondContact OD2-CD2 3.37Å
256D94.8Very high80.4Confident41 Ų4183.6 Ų83.622%0.21946%0.464CS..EExtended strand (participates in β ladder)trans-132.479170.8-173.814.5000108.7S242 I243 L253 R258S242-D256 WeakPolarHBondContact CB-OD1 3.33Å; S242-D256 PolarHBondContact OG-OD1 2.93Å; I243-D256 CarbonylContact O-C 3.37Å; L253-D256 HydrophobicContact CD2-CB 4.44Å; D256-R258 PolarHBondContact O-N 2.75Å; D256-R258 IonicContact OD2-CZ 3.87Å; D256-R258 IonicContact OD2-NE 3.55Å; D256-R258 IonicContact OD2-NH2 3.34Å; D256-R258 PolarHBondContact OD2-NH2 2.81Å
257L94.1Very high78Confident16 Ų1689.6 Ų89.68%0.08451%0.505CS..EExtended strand (participates in β ladder)trans-68.7130-174.2-54.2174.8000110.1S242 I243 I245 D255 L287 W299 M301S242-L257 CarbonylContact C-O 3.26Å; S242-L257 VanDerWaalsContact CA-O 3.26Å; S242-L257 WeakPolarHBondContact CA-O 3.49Å; S242-L257 WeakPolarHBondContact CB-O 3.3Å; I243-L257 HydrophobicContact CB-CB 4.17Å; I243-L257 PolarHBondContact N-O 2.81Å; I243-L257 PolarHBondContact O-N 2.8Å; I245-L257 HydrophobicContact CD1-CD1 3.62Å; I245-L257 HydrophobicContact CD1-CG 4.15Å; I245-L257 HydrophobicContact CG1-CD1 4.46Å; D255-L257 HydrophobicContact CB-CD2 4.22Å; D255-L257 HydrophobicContact CB-CG 4.44Å; D255-L257 VanDerWaalsContact CG-CD2 3.47Å; D255-L257 WeakPolarHBondContact OD2-CD2 3.37Å; L257-L287 HydrophobicContact CD1-CD2 4.27Å; L257-W299 HydrophobicContact CD1-CB 4.2Å; L257-W299 HydrophobicContact CD1-CD2 4.23Å; L257-W299 HydrophobicContact CD1-CG 3.82Å; L257-M301 HydrophobicContact CD1-SD 4.14Å
258R90.7Very high75.7Confident160 Ų16092.7 Ų92.760%0.60453%0.533SS*.  trans-126.2142.7175.1-67.5179.6-172.6160.96.4109.6D256D256-R258 PolarHBondContact O-N 2.75Å; D256-R258 IonicContact OD2-CZ 3.87Å; D256-R258 IonicContact OD2-NE 3.55Å; D256-R258 IonicContact OD2-NH2 3.34Å; D256-R258 PolarHBondContact OD2-NH2 2.81Å
259P81.6Confident73.5Confident13 Ų13102.1 Ų102.18%0.08457%0.574CS.*PPolyproline II helixtrans-62.4140.4171.828-34000109.9S241 L261 F291S241-P259 VanDerWaalsContact O-CD 3.27Å; S241-P259 WeakPolarHBondContact O-CD 3.43Å; P259-L261 PolarHBondContact O-N 2.92Å; P259-F291 HydrophobicContact CG-CE1 3.98Å; P259-F291 HydrophobicContact CG-CZ 4.35Å
260E72.3Confident71.6Confident187 Ų187102 Ų10287%0.87457%0.574SS**PPolyproline II helixtrans-62.1119.2168.3-68.9-176.3176.100108.9I262E260-I262 PolarHBondContact O-N 3.25Å
261L63.8Low70.3Confident123 Ų123102 Ų10264%0.64458%0.582SS**PPolyproline II helixtrans-77.5118170-104.880.4000108.2P259 S263 T272P259-L261 PolarHBondContact O-N 2.92Å; L261-S263 PolarHBondContact O-N 2.94Å; L261-S263 VanDerWaalsContact O-N 3.08Å; L261-T272 HydrophobicContact CD1-CG2 4.39Å
262I53.5Low69.8Low149 Ų14999.2 Ų99.276%0.76458%0.576SS**  trans-65.9111.2170.5-57.3173.7000107.5E260 G264E260-I262 PolarHBondContact O-N 3.25Å; I262-G264 PolarHBondContact O-N 2.86Å
263S47.9Very low69.4Low130 Ų13096.5 Ų96.591%0.90956%0.56SS**THydrogen-bonded Turntrans-67.915.6-173.953.20000115.6L261L261-S263 PolarHBondContact O-N 2.94Å; L261-S263 VanDerWaalsContact O-N 3.08Å
264G49.7Very low69Low73 Ų7394.2 Ų94.275%0.75355%0.551SS**THydrogen-bonded Turntrans-102.5-1.1-175.200000115.9I262I262-G264 PolarHBondContact O-N 2.86Å
265S47.9Very low68.7Low62 Ų6292 Ų9243%0.43453%0.532SS..SBendtrans-111.5134.5-176.555.30000111.6Q270S265-Q270 PolarHBondContact OG-OE1 2.57Å; S265-Q270 VanDerWaalsContact OG-OE1 3.13Å
266S46.7Very low68.3Low97 Ų9788.6 Ų88.668%0.67851%0.514SS*.  trans-48.7129-172.5-44.40000112.5A268S266-A268 PolarHBondContact O-N 2.93Å
267P47.7Very low67.9Low136 Ų13687 Ų8788%0.88351%0.506SS*.THydrogen-bonded Turntrans-67.9-7.6-173.924.1-32.5000114.4K269P267-K269 PolarHBondContact O-N 3.37Å
268A48Very low67.7Low89 Ų8987 Ų8774%0.73651%0.507SS*.THydrogen-bonded Turntrans-80.4-5.7-162.200000116S266S266-A268 PolarHBondContact O-N 2.93Å
269K49.1Very low67.5Low202 Ų20279.8 Ų79.888%0.87848%0.481SS*.THydrogen-bonded Turntrans-162.3-3.8-179.1-115.6166-168.9-177.30119P267 S271P267-K269 PolarHBondContact O-N 3.37Å; K269-S271 PolarHBondContact O-N 2.9Å
270Q52.8Low67.7Low146 Ų14680.2 Ų80.268%0.68248%0.481SS*.  trans-82.5105177.5-82178.1-12.200109.8S265 T272S265-Q270 PolarHBondContact OG-OE1 2.57Å; S265-Q270 VanDerWaalsContact OG-OE1 3.13Å; Q270-T272 PolarHBondContact O-N 2.91Å
271S66.2Low68.1Low104 Ų10471.3 Ų71.373%0.72744%0.439SS*.PPolyproline II helixtrans-58.9130.2166.560.20000108.6K269K269-S271 PolarHBondContact O-N 2.9Å
272T80.7Confident68.7Low77 Ų7768.8 Ų68.847%0.47244%0.436SS..PPolyproline II helixtrans-52127.7173.149.30000109.6L261 Q270 S274L261-T272 HydrophobicContact CD1-CG2 4.39Å; Q270-T272 PolarHBondContact O-N 2.91Å; T272-S274 PolarHBondContact O-N 2.95Å
273P85.6Confident70.1Confident19 Ų1964.5 Ų64.512%0.12342%0.415CS..PPolyproline II helixtrans-62.2139.4-175.627-35.5000110.2S241 F291 D293S241-P273 VanDerWaalsContact CA-O 3.29Å; S241-P273 WeakPolarHBondContact CA-O 3.47Å; S241-P273 WeakPolarHBondContact CB-O 3.35Å; P273-F291 HydrophobicContact CB-CB 4.29Å; P273-F291 HydrophobicContact CB-CD1 4.13Å; P273-F291 HydrophobicContact CG-CD1 4.3Å; P273-D293 HydrophobicContact CB-CB 3.86Å; P273-D293 WeakPolarHBondContact CB-OD2 3.49Å; P273-D293 WeakPolarHBondContact CG-OD2 3.12Å
274S86.8Confident72Confident33 Ų3358.4 Ų58.423%0.23137%0.372CS..PPolyproline II helixtrans-92.1135.1179.9-174.60000110.4N224 G240 T272 T276 F291 S292N224-S274 PolarHBondContact ND2-OG 3.12Å; G240-S274 CarbonylContact O-C 3.57Å; G240-S274 WeakPolarHBondContact O-CA 3.41Å; G240-S274 WeakPolarHBondContact O-CB 3.5Å; G240-S274 PolarHBondContact O-OG 3.3Å; T272-S274 PolarHBondContact O-N 2.95Å; S274-T276 PolarHBondContact O-N 2.71Å; S274-F291 CarbonylContact O-C 3.53Å; S274-F291 VanDerWaalsContact O-CA 3.27Å; S274-F291 WeakPolarHBondContact O-CA 3.42Å; S274-S292 PolarHBondContact N-OG 2.9Å; S274-S292 PolarHBondContact O-N 2.79Å
275C88.9Confident73.7Confident0 Ų059.3 Ų59.30%036%0.357CS..EExtended strand (participates in β ladder)trans-71.6122.8170.9-174.50000109.7N224 A238 G240 I243 F291N224-C275 PolarHBondContact ND2-O 2.94Å; A238-C275 HydrophobicContact CB-CB 3.91Å; A238-C275 WeakPolarHBondContact CB-SG 3.5Å; G240-C275 PolarHBondContact O-N 3.4Å; I243-C275 HydrophobicContact CG1-CB 4.36Å; C275-F291 HydrophobicContact CB-CD1 4.12Å; C275-F291 HydrophobicContact CB-CE1 3.7Å; C275-F291 HydrophobicContact CB-CE2 4.32Å; C275-F291 HydrophobicContact CB-CZ 3.81Å
276T85.4Confident75.5Confident3 Ų356.8 Ų56.82%0.01834%0.339CS..EExtended strand (participates in β ladder)trans-106-26-17358.60000113.5S274 G290S274-T276 PolarHBondContact O-N 2.71Å; T276-G290 PolarHBondContact N-O 3.34Å; T276-G290 PolarHBondContact OG1-O 2.77Å
277C86.8Confident77.5Confident7 Ų752.2 Ų52.25%0.04731%0.307CS..EExtended strand (participates in β ladder)trans-153.4160.4-174.664.80000111.4I6 A289 G290I6-C277 VanDerWaalsContact C-SG 3.59Å; I6-C277 WeakPolarHBondContact O-CB 3.35Å; I6-C277 PolarHBondContact O-SG 2.92Å; C277-A289 WeakPolarHBondContact O-CA 3.37Å; C277-G290 PolarHBondContact O-N 2.79Å; C277-G290 WeakPolarHBondContact SG-CA 3.47Å; C277-G290 PolarHBondContact SG-N 2.92Å
278L89.1Confident79.4Confident18 Ų1846.1 Ų46.19%0.09427%0.266CS..EExtended strand (participates in β ladder)trans-140.8144.8-179.6-65.7173.9000110.1C227 C236 A238 I243 L287 F288 A289C227-L278 HydrophobicContact CB-CB 4.26Å; C236-L278 HydrophobicContact CB-CD1 3.89Å; A238-L278 HydrophobicContact CB-CD1 3.99Å; A238-L278 HydrophobicContact CB-CD2 4.48Å; A238-L278 HydrophobicContact CB-CG 3.98Å; A238-L278 VanDerWaalsContact N-CD1 3.35Å; I243-L278 HydrophobicContact CD1-CD2 3.79Å; I243-L278 HydrophobicContact CG1-CD2 3.97Å; I243-L278 HydrophobicContact CG2-CD1 4.03Å; I243-L278 HydrophobicContact CG2-CD2 3.83Å; L278-L287 HydrophobicContact CB-CD1 4.44Å; L278-L287 HydrophobicContact CD2-CD1 4.34Å; L278-F288 CarbonylContact C-O 3.57Å; L278-F288 WeakPolarHBondContact CA-O 3.39Å; L278-A289 HydrophobicContact CD2-CB 3.57Å
279A86.6Confident81.2Confident8 Ų841.9 Ų41.97%0.06623%0.231CC..EExtended strand (participates in β ladder)trans-150.3134.217100000111L8 F15 F288L8-A279 HydrophobicContact CB-CB 3.54Å; L8-A279 WeakPolarHBondContact O-CB 3.45Å; F15-A279 HydrophobicContact CE1-CB 4.44Å; A279-F288 PolarHBondContact N-O 2.97Å; A279-F288 PolarHBondContact O-N 3.04Å
280W87Confident82.8Confident21 Ų2132.2 Ų32.28%0.0819%0.19CC..EExtended strand (participates in β ladder)trans-86.8150.7171.3-77.499.6000111.5F228 P230 W234 C236 G284 T286 L287 M301F228-W280 VanDerWaalsContact O-CD1 3.22Å; P230-W280 HydrophobicContact CG-CB 4.22Å; W234-W280 HydrophobicContact CE3-CH2 4.28Å; W234-W280 HydrophobicContact CE3-CZ2 4.44Å; W234-W280 HydrophobicContact CZ3-CH2 4.46Å; C236-W280 WeakPolarHBondContact SG-CZ2 3.33Å; C236-W280 PolarHBondContact SG-NE1 2.83Å; W280-G284 VanDerWaalsContact CZ3-O 3.24Å; W280-G284 WeakPolarHBondContact CZ3-O 3.48Å; W280-T286 CarbonylContact C-O 3.58Å; W280-L287 HydrophobicContact CD2-CB 4.29Å; W280-L287 HydrophobicContact CD2-CD1 3.94Å; W280-L287 HydrophobicContact CE3-CB 4.07Å; W280-L287 HydrophobicContact CG-CD1 4.11Å; W280-L287 HydrophobicContact CH2-CB 4.21Å; W280-L287 HydrophobicContact CZ2-CB 4.37Å; W280-L287 HydrophobicContact CZ2-CD1 4.37Å; W280-L287 HydrophobicContact CZ2-CD2 4.26Å; W280-L287 HydrophobicContact CZ3-CB 4.03Å; W280-M301 HydrophobicContact CH2-CB 4.04Å; W280-M301 HydrophobicContact CH2-CG 3.61Å; W280-M301 HydrophobicContact CZ3-CB 3.96Å; W280-M301 HydrophobicContact CZ3-CG 3.71Å
281S80.6Confident84.3Confident1 Ų125.3 Ų25.31%0.00716%0.157CC..  trans-62.8151.5158.456.10000111.1P230 D283 G284 Q285 T286P230-S281 WeakPolarHBondContact CG-O 3.34Å; S281-D283 WeakPolarHBondContact CB-OD1 3.33Å; S281-D283 PolarHBondContact O-N 3.44Å; S281-D283 PolarHBondContact OG-OD1 3.15Å; S281-G284 WeakPolarHBondContact O-CA 3.17Å; S281-G284 PolarHBondContact O-N 2.62Å; S281-G284 PolarHBondContact OG-N 3.33Å; S281-Q285 PolarHBondContact OG-N 2.91Å; S281-Q285 VanDerWaalsContact OG-N 3.1Å; S281-T286 PolarHBondContact N-O 2.89Å; S281-T286 PolarHBondContact OG-N 3.29Å; S281-T286 PolarHBondContact OG-O 2.95Å
282A76.9Confident85Confident69 Ų6923.1 Ų23.157%0.5714%0.142SC*.THydrogen-bonded Turntrans-60.7-33178.600000113.2G284A282-G284 PolarHBondContact O-N 2.77Å
283D82.5Confident84.9Confident60 Ų6022.1 Ų22.132%0.32113%0.133SC..THydrogen-bonded Turntrans-76-7.3173.960.712.7000113.4R34 N231 S281 Q285R34-D283 IonicContact NH2-OD2 3.64Å; R34-D283 PolarHBondContact NH2-OD2 2.97Å; N231-D283 PolarHBondContact ND2-O 3.03Å; S281-D283 WeakPolarHBondContact CB-OD1 3.33Å; S281-D283 PolarHBondContact O-N 3.44Å; S281-D283 PolarHBondContact OG-OD1 3.15Å; D283-Q285 HydrophobicContact CB-CG 4.29Å; D283-Q285 PolarHBondContact O-N 2.72Å; D283-Q285 PolarHBondContact OD1-N 3.47Å
284G86.4Confident84.2Confident2 Ų224.6 Ų24.62%0.02115%0.146CC..SBendtrans64.417-177.500000115P230 N231 W280 S281 A282P230-G284 VanDerWaalsContact CG-CA 3.49Å; N231-G284 VanDerWaalsContact ND2-CA 3.34Å; N231-G284 WeakPolarHBondContact ND2-CA 3.36Å; N231-G284 PolarHBondContact ND2-O 2.73Å; W280-G284 VanDerWaalsContact CZ3-O 3.24Å; W280-G284 WeakPolarHBondContact CZ3-O 3.48Å; S281-G284 WeakPolarHBondContact O-CA 3.17Å; S281-G284 PolarHBondContact O-N 2.62Å; S281-G284 PolarHBondContact OG-N 3.33Å; A282-G284 PolarHBondContact O-N 2.77Å
285Q86.3Confident83.8Confident91 Ų9127.5 Ų27.543%0.42516%0.158SC..SBendtrans-90.8-12.9179.1-63.9-173.4-9.100113.6S281 D283 M301S281-Q285 PolarHBondContact OG-N 2.91Å; S281-Q285 VanDerWaalsContact OG-N 3.1Å; D283-Q285 HydrophobicContact CB-CG 4.29Å; D283-Q285 PolarHBondContact O-N 2.72Å; D283-Q285 PolarHBondContact OD1-N 3.47Å; Q285-M301 PolarHBondContact O-N 2.84Å
286T85.9Confident83.4Confident10 Ų1030 Ų306%0.06117%0.171CC..EExtended strand (participates in β ladder)trans-138.6125.5-172.3-48.20000110.3W280 S281 F288 V298 W299W280-T286 CarbonylContact C-O 3.58Å; S281-T286 PolarHBondContact N-O 2.89Å; S281-T286 PolarHBondContact OG-N 3.29Å; S281-T286 PolarHBondContact OG-O 2.95Å; T286-F288 HydrophobicContact CG2-CD2 4.08Å; T286-F288 HydrophobicContact CG2-CE1 4.2Å; T286-F288 HydrophobicContact CG2-CE2 3.38Å; T286-F288 HydrophobicContact CG2-CZ 3.46Å; T286-F288 VanDerWaalsContact CG2-CZ 3.46Å; T286-V298 HydrophobicContact CG2-CG1 3.22Å; T286-W299 CarbonylContact C-O 3.59Å; T286-W299 WeakPolarHBondContact CA-O 3.26Å
287L88.8Confident83.3Confident0 Ų032.3 Ų32.30%018%0.18CC..EExtended strand (participates in β ladder)trans-104.6123.2174.6-179.759.4000109.2C236 I243 I245 L257 L278 W280 W299 M301C236-L287 HydrophobicContact CB-CD2 4.5Å; I243-L287 HydrophobicContact CG2-CD2 4.04Å; I245-L287 HydrophobicContact CD1-CD2 4.14Å; L257-L287 HydrophobicContact CD1-CD2 4.27Å; L278-L287 HydrophobicContact CB-CD1 4.44Å; L278-L287 HydrophobicContact CD2-CD1 4.34Å; W280-L287 HydrophobicContact CD2-CB 4.29Å; W280-L287 HydrophobicContact CD2-CD1 3.94Å; W280-L287 HydrophobicContact CE3-CB 4.07Å; W280-L287 HydrophobicContact CG-CD1 4.11Å; W280-L287 HydrophobicContact CH2-CB 4.21Å; W280-L287 HydrophobicContact CZ2-CB 4.37Å; W280-L287 HydrophobicContact CZ2-CD1 4.37Å; W280-L287 HydrophobicContact CZ2-CD2 4.26Å; W280-L287 HydrophobicContact CZ3-CB 4.03Å; L287-W299 PolarHBondContact N-O 3.37Å; L287-W299 PolarHBondContact O-N 2.88Å; L287-M301 HydrophobicContact CB-CG 4.34Å
288F86.7Confident83.2Confident8 Ų833.4 Ų33.44%0.03519%0.186CC..EExtended strand (participates in β ladder)trans-103.9137.7176.3-59.2-100.6000108.9L8 F15 L32 L278 A279 T286 I296 V298L8-F288 HydrophobicContact CD1-CB 4.08Å; L8-F288 HydrophobicContact CD2-CB 3.83Å; L8-F288 HydrophobicContact CD2-CG 4.46Å; L8-F288 HydrophobicContact CG-CB 4.44Å; F15-F288 HydrophobicContact CD2-CE1 4.4Å; F15-F288 HydrophobicContact CE1-CB 4.32Å; F15-F288 HydrophobicContact CE1-CD1 4.29Å; F15-F288 AromaticContact CE1-CD2 3.97Å; F15-F288 HydrophobicContact CE1-CD2 3.97Å; F15-F288 HydrophobicContact CE1-CE2 4.38Å; F15-F288 AromaticContact CE1-CG 3.93Å; F15-F288 HydrophobicContact CE1-CG 3.93Å; F15-F288 AromaticContact CE2-CD1 3.66Å; F15-F288 HydrophobicContact CE2-CD1 3.66Å; F15-F288 HydrophobicContact CE2-CD2 4.09Å; F15-F288 AromaticContact CE2-CE1 3.37Å; F15-F288 HydrophobicContact CE2-CE1 3.37Å; F15-F288 AromaticContact CE2-CE2 3.83Å; F15-F288 HydrophobicContact CE2-CE2 3.83Å; F15-F288 HydrophobicContact CE2-CG 4.02Å; F15-F288 AromaticContact CE2-CZ 3.45Å; F15-F288 HydrophobicContact CE2-CZ 3.45Å; F15-F288 VanDerWaalsContact CE2-CZ 3.45Å; F15-F288 HydrophobicContact CZ-CB 4.29Å; F15-F288 AromaticContact CZ-CD1 3.58Å; F15-F288 HydrophobicContact CZ-CD1 3.58Å; F15-F288 AromaticContact CZ-CD2 3.28Å; F15-F288 HydrophobicContact CZ-CD2 3.28Å; F15-F288 AromaticContact CZ-CE1 3.61Å; F15-F288 HydrophobicContact CZ-CE1 3.61Å; F15-F288 AromaticContact CZ-CE2 3.32Å; F15-F288 HydrophobicContact CZ-CE2 3.32Å; F15-F288 AromaticContact CZ-CG 3.43Å; F15-F288 HydrophobicContact CZ-CG 3.43Å; F15-F288 VanDerWaalsContact CZ-CG 3.43Å; F15-F288 AromaticContact CZ-CZ 3.48Å; F15-F288 HydrophobicContact CZ-CZ 3.48Å; F15-F288 VanDerWaalsContact CZ-CZ 3.48Å; L32-F288 HydrophobicContact CD1-CZ 4.4Å; L32-F288 HydrophobicContact CD2-CE1 4.03Å; L32-F288 HydrophobicContact CD2-CZ 4.34Å; L278-F288 CarbonylContact C-O 3.57Å; L278-F288 WeakPolarHBondContact CA-O 3.39Å; A279-F288 PolarHBondContact N-O 2.97Å; A279-F288 PolarHBondContact O-N 3.04Å; T286-F288 HydrophobicContact CG2-CD2 4.08Å; T286-F288 HydrophobicContact CG2-CE1 4.2Å; T286-F288 HydrophobicContact CG2-CE2 3.38Å; T286-F288 HydrophobicContact CG2-CZ 3.46Å; T286-F288 VanDerWaalsContact CG2-CZ 3.46Å; F288-I296 HydrophobicContact CB-CG2 4.46Å; F288-I296 HydrophobicContact CD1-CG2 4.38Å; F288-V298 HydrophobicContact CD1-CB 4.38Å; F288-V298 HydrophobicContact CD1-CG1 4.02Å; F288-V298 HydrophobicContact CD1-CG2 3.6Å; F288-V298 HydrophobicContact CE1-CB 4.42Å; F288-V298 HydrophobicContact CE1-CG1 3.73Å; F288-V298 HydrophobicContact CE1-CG2 3.76Å; F288-V298 HydrophobicContact CZ-CG1 4.12Å
289A87.1Confident83.1Confident0 Ų034.7 Ų34.70%019%0.19CC..EExtended strand (participates in β ladder)trans-139.6127.4178.200000111.1I243 C277 L278 F291 I296 R297 W299I243-A289 HydrophobicContact CD1-CB 3.43Å; I243-A289 VanDerWaalsContact CD1-CB 3.43Å; I243-A289 HydrophobicContact CG1-CB 4.46Å; C277-A289 WeakPolarHBondContact O-CA 3.37Å; L278-A289 HydrophobicContact CD2-CB 3.57Å; A289-F291 HydrophobicContact CB-CD2 4.39Å; A289-F291 HydrophobicContact CB-CE2 3.78Å; A289-F291 WeakPolarHBondContact O-CD2 3.39Å; A289-I296 WeakPolarHBondContact O-CA 3.47Å; A289-R297 PolarHBondContact N-O 3.24Å; A289-R297 PolarHBondContact O-N 3Å; A289-W299 HydrophobicContact CB-CE3 4.49Å; A289-W299 HydrophobicContact CB-CZ3 3.78Å
290G82.7Confident83Confident0 Ų040.8 Ų40.80%022%0.217CC..EExtended strand (participates in β ladder)trans-87.8137.7173.400000110L8 T276 C277L8-G290 VanDerWaalsContact CD1-N 3.31Å; T276-G290 PolarHBondContact N-O 3.34Å; T276-G290 PolarHBondContact OG1-O 2.77Å; C277-G290 PolarHBondContact O-N 2.79Å; C277-G290 WeakPolarHBondContact SG-CA 3.47Å; C277-G290 PolarHBondContact SG-N 2.92Å
291F83.3Confident82.7Confident1 Ų140.9 Ų40.90%0.00422%0.218CC..EExtended strand (participates in β ladder)trans-118.1159.3-179.6-77.7-103.3000111.5I6 I243 P259 P273 S274 C275 A289 D293 N294 L295 R297 W299I6-F291 WeakPolarHBondContact CD1-O 3.46Å; I243-F291 HydrophobicContact CD1-CZ 4.45Å; P259-F291 HydrophobicContact CG-CE1 3.98Å; P259-F291 HydrophobicContact CG-CZ 4.35Å; P273-F291 HydrophobicContact CB-CB 4.29Å; P273-F291 HydrophobicContact CB-CD1 4.13Å; P273-F291 HydrophobicContact CG-CD1 4.3Å; S274-F291 CarbonylContact O-C 3.53Å; S274-F291 VanDerWaalsContact O-CA 3.27Å; S274-F291 WeakPolarHBondContact O-CA 3.42Å; C275-F291 HydrophobicContact CB-CD1 4.12Å; C275-F291 HydrophobicContact CB-CE1 3.7Å; C275-F291 HydrophobicContact CB-CE2 4.32Å; C275-F291 HydrophobicContact CB-CZ 3.81Å; A289-F291 HydrophobicContact CB-CD2 4.39Å; A289-F291 HydrophobicContact CB-CE2 3.78Å; A289-F291 WeakPolarHBondContact O-CD2 3.39Å; F291-D293 WeakPolarHBondContact CB-OD1 3.19Å; F291-D293 PolarHBondContact O-N 2.88Å; F291-D293 VanDerWaalsContact O-N 3.1Å; F291-N294 PolarHBondContact O-N 3.24Å; F291-N294 VanDerWaalsContact O-N 3.12Å; F291-L295 PolarHBondContact N-O 2.81Å; F291-R297 VanDerWaalsContact CB-NH1 3.26Å; F291-R297 HydrophobicContact CD2-CB 4.23Å; F291-R297 HydrophobicContact CD2-CG 4.15Å; F291-R297 HydrophobicContact CE2-CB 4Å; F291-R297 HydrophobicContact CE2-CG 4.24Å; F291-R297 VanDerWaalsContact CG-NH1 3.29Å; F291-W299 AromaticContact CE2-CH2 3.6Å; F291-W299 HydrophobicContact CE2-CH2 3.6Å; F291-W299 HydrophobicContact CE2-CZ3 4Å; F291-W299 AromaticContact CZ-CH2 3.8Å; F291-W299 HydrophobicContact CZ-CH2 3.8Å
292S80.3Confident81.8Confident57 Ų5747 Ų4740%0.39927%0.269SS..THydrogen-bonded Turntrans-66.9-6.6-179.367.30000114.7S274 N294S274-S292 PolarHBondContact N-OG 2.9Å; S274-S292 PolarHBondContact O-N 2.79Å; S292-N294 VanDerWaalsContact C-N 3.27Å
293D78.7Confident82.1Confident56 Ų5646 Ų4630%0.29925%0.254SS..THydrogen-bonded Turntrans-92.618.2172.560.6-9.4000112.7P273 F291 L295 R297P273-D293 HydrophobicContact CB-CB 3.86Å; P273-D293 WeakPolarHBondContact CB-OD2 3.49Å; P273-D293 WeakPolarHBondContact CG-OD2 3.12Å; F291-D293 WeakPolarHBondContact CB-OD1 3.19Å; F291-D293 PolarHBondContact O-N 2.88Å; F291-D293 VanDerWaalsContact O-N 3.1Å; D293-L295 PolarHBondContact O-N 2.87Å; D293-L295 PolarHBondContact OD1-N 2.89Å; D293-R297 IonicContact OD1-CZ 4Å; D293-R297 IonicContact OD1-NH1 3.3Å; D293-R297 PolarHBondContact OD1-NH1 2.89Å; D293-R297 IonicContact OD1-NH2 3.8Å; D293-R297 IonicContact OD2-CZ 3.87Å; D293-R297 IonicContact OD2-NH1 3.22Å; D293-R297 PolarHBondContact OD2-NH1 3.21Å; D293-R297 IonicContact OD2-NH2 3.59Å; D293-R297 PolarHBondContact OD2-NH2 3.12Å
294N72Confident82.1Confident72 Ų7245.2 Ų45.239%0.38525%0.251SS..SBendtrans65.415.4179-55.7-45.5000114.5F291 S292F291-N294 PolarHBondContact O-N 3.24Å; F291-N294 VanDerWaalsContact O-N 3.12Å; S292-N294 VanDerWaalsContact C-N 3.27Å
295L78.4Confident81.8Confident93 Ų9347.6 Ų47.649%0.48726%0.264SS..  trans-102.7137.6176.5-62178.5000111.4F291 D293F291-L295 PolarHBondContact N-O 2.81Å; D293-L295 PolarHBondContact O-N 2.87Å; D293-L295 PolarHBondContact OD1-N 2.89Å
296I79.5Confident81.6Confident54 Ų5445.1 Ų45.128%0.27725%0.254SS..EExtended strand (participates in β ladder)trans-89.9126.5161.9-58.9165.4000107.2I6 L8 T17 F288 A289 V298I6-I296 HydrophobicContact CG2-CG1 4.3Å; L8-I296 HydrophobicContact CD1-CG1 4.46Å; L8-I296 HydrophobicContact CD1-CG2 4.12Å; L8-I296 HydrophobicContact CD2-CD1 3.91Å; L8-I296 HydrophobicContact CD2-CG1 4.26Å; L8-I296 HydrophobicContact CD2-CG2 3.85Å; T17-I296 HydrophobicContact CG2-CD1 3.35Å; T17-I296 HydrophobicContact CG2-CG1 4.27Å; F288-I296 HydrophobicContact CB-CG2 4.46Å; F288-I296 HydrophobicContact CD1-CG2 4.38Å; A289-I296 WeakPolarHBondContact O-CA 3.47Å; I296-V298 HydrophobicContact CG2-CG2 4.36Å
297R83.7Confident81.3Confident51 Ų5147.3 Ų47.319%0.19227%0.266CS..EExtended strand (participates in β ladder)trans-110.1147.8172.7-66.7177.4174.580.2-2.2109.3A289 F291 D293 W299A289-R297 PolarHBondContact N-O 3.24Å; A289-R297 PolarHBondContact O-N 3Å; F291-R297 VanDerWaalsContact CB-NH1 3.26Å; F291-R297 HydrophobicContact CD2-CB 4.23Å; F291-R297 HydrophobicContact CD2-CG 4.15Å; F291-R297 HydrophobicContact CE2-CB 4Å; F291-R297 HydrophobicContact CE2-CG 4.24Å; F291-R297 VanDerWaalsContact CG-NH1 3.29Å; D293-R297 IonicContact OD1-CZ 4Å; D293-R297 IonicContact OD1-NH1 3.3Å; D293-R297 PolarHBondContact OD1-NH1 2.89Å; D293-R297 IonicContact OD1-NH2 3.8Å; D293-R297 IonicContact OD2-CZ 3.87Å; D293-R297 IonicContact OD2-NH1 3.22Å; D293-R297 PolarHBondContact OD2-NH1 3.21Å; D293-R297 IonicContact OD2-NH2 3.59Å; D293-R297 PolarHBondContact OD2-NH2 3.12Å; R297-W299 VanDerWaalsContact C-CZ3 3.48Å; R297-W299 HydrophobicContact CB-CE3 4.23Å; R297-W299 HydrophobicContact CB-CH2 3.29Å; R297-W299 HydrophobicContact CB-CZ2 4.28Å; R297-W299 HydrophobicContact CB-CZ3 3.24Å; R297-W299 HydrophobicContact CG-CH2 4.24Å; R297-W299 WeakPolarHBondContact O-CZ3 3.32Å
298V84.2Confident80.8Confident30 Ų3050.4 Ų50.418%0.18228%0.284CS..EExtended strand (participates in β ladder)trans-128.5127.2-169.9-172.20000108.6Y39 T286 F288 I296Y39-V298 HydrophobicContact CD1-CB 4.29Å; Y39-V298 HydrophobicContact CD1-CG1 3.82Å; Y39-V298 HydrophobicContact CD1-CG2 4.43Å; Y39-V298 HydrophobicContact CD2-CB 3.97Å; Y39-V298 HydrophobicContact CD2-CG1 4.39Å; Y39-V298 HydrophobicContact CD2-CG2 3.96Å; Y39-V298 HydrophobicContact CE1-CB 4.37Å; Y39-V298 HydrophobicContact CE1-CG1 3.83Å; Y39-V298 HydrophobicContact CE2-CB 4.06Å; Y39-V298 HydrophobicContact CE2-CG1 4.4Å; Y39-V298 HydrophobicContact CG-CB 4.08Å; Y39-V298 HydrophobicContact CG-CG1 4.11Å; Y39-V298 HydrophobicContact CG-CG2 3.88Å; T286-V298 HydrophobicContact CG2-CG1 3.22Å; F288-V298 HydrophobicContact CD1-CB 4.38Å; F288-V298 HydrophobicContact CD1-CG1 4.02Å; F288-V298 HydrophobicContact CD1-CG2 3.6Å; F288-V298 HydrophobicContact CE1-CB 4.42Å; F288-V298 HydrophobicContact CE1-CG1 3.73Å; F288-V298 HydrophobicContact CE1-CG2 3.76Å; F288-V298 HydrophobicContact CZ-CG1 4.12Å; I296-V298 HydrophobicContact CG2-CG2 4.36Å
299W87.3Confident80.4Confident45 Ų4553.4 Ų53.417%0.1730%0.302CS..EExtended strand (participates in β ladder)trans-115.6123.5174.4-72.6-99.3000109.1I243 L257 T286 L287 A289 F291 R297 M301I243-W299 HydrophobicContact CD1-CE3 4.07Å; I243-W299 HydrophobicContact CD1-CH2 3.93Å; I243-W299 HydrophobicContact CD1-CZ2 4.48Å; I243-W299 HydrophobicContact CD1-CZ3 3.72Å; L257-W299 HydrophobicContact CD1-CB 4.2Å; L257-W299 HydrophobicContact CD1-CD2 4.23Å; L257-W299 HydrophobicContact CD1-CG 3.82Å; T286-W299 CarbonylContact C-O 3.59Å; T286-W299 WeakPolarHBondContact CA-O 3.26Å; L287-W299 PolarHBondContact N-O 3.37Å; L287-W299 PolarHBondContact O-N 2.88Å; A289-W299 HydrophobicContact CB-CE3 4.49Å; A289-W299 HydrophobicContact CB-CZ3 3.78Å; F291-W299 AromaticContact CE2-CH2 3.6Å; F291-W299 HydrophobicContact CE2-CH2 3.6Å; F291-W299 HydrophobicContact CE2-CZ3 4Å; F291-W299 AromaticContact CZ-CH2 3.8Å; F291-W299 HydrophobicContact CZ-CH2 3.8Å; R297-W299 VanDerWaalsContact C-CZ3 3.48Å; R297-W299 HydrophobicContact CB-CE3 4.23Å; R297-W299 HydrophobicContact CB-CH2 3.29Å; R297-W299 HydrophobicContact CB-CZ2 4.28Å; R297-W299 HydrophobicContact CB-CZ3 3.24Å; R297-W299 HydrophobicContact CG-CH2 4.24Å; R297-W299 WeakPolarHBondContact O-CZ3 3.32Å; W299-M301 HydrophobicContact CB-SD 4.17Å
300Q84.2Confident79.9Confident136 Ų13657.5 Ų57.564%0.63633%0.325SS*.EExtended strand (participates in β ladder)trans-85.9116.9169.7-168.3167.32.400108.4
301M80.9Confident79.6Confident22 Ų2262.3 Ų62.311%0.10835%0.352CS..  trans-98.7107.6-175.9-59.6-63.5-6600107.4W234 I245 L257 W280 Q285 L287 W299W234-M301 HydrophobicContact CH2-CE 4.2Å; W234-M301 HydrophobicContact CZ3-CE 3.62Å; I245-M301 HydrophobicContact CD1-CE 3.47Å; I245-M301 VanDerWaalsContact CD1-CE 3.47Å; I245-M301 HydrophobicContact CD1-SD 4.31Å; L257-M301 HydrophobicContact CD1-SD 4.14Å; W280-M301 HydrophobicContact CH2-CB 4.04Å; W280-M301 HydrophobicContact CH2-CG 3.61Å; W280-M301 HydrophobicContact CZ3-CB 3.96Å; W280-M301 HydrophobicContact CZ3-CG 3.71Å; Q285-M301 PolarHBondContact O-N 2.84Å; L287-M301 HydrophobicContact CB-CG 4.34Å; W299-M301 HydrophobicContact CB-SD 4.17Å
302A63Low79.3Confident131 Ų13167.9 Ų67.9100%1.08338%0.383SS*.  trans-72.90176.300000111.5R232R232-A302 VanDerWaalsContact CZ-O 3.25Å; R232-A302 PolarHBondContact NH1-O 3.08Å; R232-A302 PolarHBondContact NH2-O 2.86Å; R232-A302 PolarHBondContact NH2-OXT 2.79Å

Retrieved 302 of 302 residues in 166.3 ms (Link to these results)

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