Y906_STAA8 Loading...

Uncharacterized protein SAOUHSC_00906

AlphaFold DB , UniProt , Accession Q2FZT4, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene n/a, Length 300 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
1M95.8Very high97.4Very high47 Ų4760.6 Ų60.623%0.23229%0.289CS..  0159.40-60-172.7179.400112.2F3 V16 Q57 V60 R61 V207 T208 E211M1-F3 HydrophobicContact CB-CD2 4.35Å; M1-F3 HydrophobicContact CB-CE2 3.91Å; M1-F3 HydrophobicContact SD-CE2 4.37Å; M1-F3 HydrophobicContact SD-CZ 4.16Å; M1-V16 HydrophobicContact CB-CG1 4.33Å; M1-V16 HydrophobicContact SD-CG1 4.32Å; M1-Q57 WeakPolarHBondContact CE-O 3.36Å; M1-V60 HydrophobicContact CE-CG1 4.3Å; M1-V60 HydrophobicContact SD-CB 4.21Å; M1-V60 HydrophobicContact SD-CG1 3.75Å; M1-R61 HydrophobicContact CE-CB 3.71Å; M1-R61 HydrophobicContact CE-CG 4.29Å; M1-V207 WeakPolarHBondContact O-CA 3.23Å; M1-T208 HydrophobicContact CB-CG2 4.03Å; M1-T208 PolarHBondContact N-OG1 2.72Å; M1-T208 PolarHBondContact O-N 3.28Å; M1-E211 VanDerWaalsContact N-CD 3.34Å; M1-E211 PolarHBondContact N-OE1 3.41Å
2K98.1Very high97.4Very high53 Ų5363.8 Ų63.823%0.2332%0.315CS..EExtended strand (participates in β ladder)trans-116.1102.2173.6-53.7-157173.1-169.30110.9V16 K17 Y205 I206 V207 N290 I291K2-V16 CarbonylContact O-C 3.5Å; K2-V16 VanDerWaalsContact O-CA 3.29Å; K2-V16 WeakPolarHBondContact O-CA 3.42Å; K2-K17 HydrophobicContact CB-CB 4.04Å; K2-K17 HydrophobicContact CD-CD 4.38Å; K2-K17 PolarHBondContact O-N 3.22Å; K2-Y205 HydrophobicContact CB-CD1 4.05Å; K2-Y205 HydrophobicContact CB-CD2 4.47Å; K2-Y205 HydrophobicContact CB-CG 3.91Å; K2-Y205 HydrophobicContact CD-CD2 3.8Å; K2-Y205 HydrophobicContact CD-CE2 4.21Å; K2-Y205 HydrophobicContact CD-CG 4.1Å; K2-I206 CarbonylContact C-O 3.19Å; K2-V207 HydrophobicContact CB-CG1 4.46Å; K2-V207 HydrophobicContact CD-CG1 3.99Å; K2-V207 HydrophobicContact CG-CG1 3.85Å; K2-N290 VanDerWaalsContact CE-O 3.28Å; K2-N290 WeakPolarHBondContact CE-O 3.35Å; K2-N290 PolarHBondContact NZ-O 3.38Å; K2-I291 PolarHBondContact NZ-O 2.84Å
3F98.6Very high97.5Very high0 Ų059.8 Ų59.80%030%0.297CS..EExtended strand (participates in β ladder)trans-86.3145.4179.4-72.2-87.2000112M1 G15 V16 L27 L44 F56 Q57 V60 Y170 Y205 I206 T208M1-F3 HydrophobicContact CB-CD2 4.35Å; M1-F3 HydrophobicContact CB-CE2 3.91Å; M1-F3 HydrophobicContact SD-CE2 4.37Å; M1-F3 HydrophobicContact SD-CZ 4.16Å; F3-G15 VanDerWaalsContact CA-O 3.32Å; F3-G15 WeakPolarHBondContact CA-O 3.45Å; F3-V16 HydrophobicContact CD1-CG1 3.42Å; F3-V16 VanDerWaalsContact CD1-CG1 3.42Å; F3-V16 HydrophobicContact CD2-CG1 4.27Å; F3-V16 HydrophobicContact CE1-CG1 3.37Å; F3-V16 HydrophobicContact CE2-CG1 4.21Å; F3-V16 HydrophobicContact CG-CG1 3.9Å; F3-V16 HydrophobicContact CZ-CG1 3.79Å; F3-L27 HydrophobicContact CD1-CD1 4.38Å; F3-L27 HydrophobicContact CE1-CD1 4.02Å; F3-L44 HydrophobicContact CB-CD1 3.95Å; F3-L44 HydrophobicContact CB-CD2 3.75Å; F3-L44 HydrophobicContact CD1-CD1 3.57Å; F3-L44 HydrophobicContact CE1-CD1 4.26Å; F3-L44 HydrophobicContact CG-CD1 3.91Å; F3-F56 HydrophobicContact CD1-CE1 4.4Å; F3-F56 AromaticContact CE1-CE1 3.8Å; F3-F56 HydrophobicContact CE1-CE1 3.8Å; F3-F56 AromaticContact CE1-CZ 3.87Å; F3-F56 HydrophobicContact CE1-CZ 3.87Å; F3-F56 HydrophobicContact CZ-CD1 4.48Å; F3-F56 HydrophobicContact CZ-CE1 4.1Å; F3-F56 HydrophobicContact CZ-CZ 4.47Å; F3-Q57 HydrophobicContact CE2-CG 4.43Å; F3-V60 HydrophobicContact CE1-CG1 4.49Å; F3-V60 HydrophobicContact CE1-CG2 3.9Å; F3-V60 HydrophobicContact CZ-CG2 4.06Å; F3-Y170 HydrophobicContact CD2-CE1 4.13Å; F3-Y170 HydrophobicContact CE2-CE1 4.09Å; F3-Y170 VanDerWaalsContact CE2-OH 3.23Å; F3-Y170 WeakPolarHBondContact CE2-OH 3.48Å; F3-Y170 WeakPolarHBondContact CZ-OH 3.31Å; F3-Y205 CarbonylContact O-C 3.57Å; F3-Y205 WeakPolarHBondContact O-CA 3.45Å; F3-I206 HydrophobicContact CB-CB 4.38Å; F3-I206 PolarHBondContact N-O 3.41Å; F3-I206 PolarHBondContact O-N 3.08Å; F3-T208 HydrophobicContact CD2-CG2 3.88Å; F3-T208 HydrophobicContact CE2-CG2 3.55Å
4L98.7Very high97.5Very high0 Ų055.6 Ų55.60%028%0.276CS..EExtended strand (participates in β ladder)trans-145154.7174.362.5165.6000110.8F6 Y14 G15 V24 F80 I83 F85 P204 Y205L4-F6 HydrophobicContact CD1-CD1 4.42Å; L4-F6 HydrophobicContact CG-CD1 4.27Å; L4-Y14 CarbonylContact O-C 3.54Å; L4-Y14 VanDerWaalsContact O-CA 3.28Å; L4-Y14 WeakPolarHBondContact O-CA 3.25Å; L4-Y14 WeakPolarHBondContact O-CB 3.45Å; L4-G15 PolarHBondContact N-O 2.58Å; L4-G15 PolarHBondContact O-N 3.24Å; L4-V24 HydrophobicContact CD1-CB 4.26Å; L4-V24 HydrophobicContact CD1-CG2 4.27Å; L4-V24 HydrophobicContact CD2-CB 4.17Å; L4-V24 HydrophobicContact CD2-CG2 3.58Å; L4-V24 HydrophobicContact CG-CG2 4.02Å; L4-F80 HydrophobicContact CD1-CE1 4.03Å; L4-F80 HydrophobicContact CD1-CZ 4.4Å; L4-I83 HydrophobicContact CD1-CD1 4.24Å; L4-F85 HydrophobicContact CD1-CD1 4Å; L4-F85 HydrophobicContact CD1-CE1 3.49Å; L4-F85 VanDerWaalsContact CD1-CE1 3.49Å; L4-F85 HydrophobicContact CD1-CZ 4.3Å; L4-P204 WeakPolarHBondContact CB-O 3.44Å; L4-Y205 HydrophobicContact CB-CD1 4.17Å; L4-Y205 HydrophobicContact CD1-CE1 4.35Å; L4-Y205 HydrophobicContact CD2-CD1 4.31Å; L4-Y205 HydrophobicContact CD2-CE1 4.43Å
5S98.7Very high97.6Very high14 Ų1451.9 Ų51.910%0.09826%0.258CS..EExtended strand (participates in β ladder)trans-110.7145.1166.2-69.10000108.8L86 P88S5-L86 PolarHBondContact O-N 2.82Å; S5-P88 WeakPolarHBondContact CB-O 3.49Å; S5-P88 PolarHBondContact OG-O 3.27Å
6F98.6Very high97.6Very high0 Ų049.3 Ų49.30%025%0.246CC..EExtended strand (participates in β ladder)trans-153.4163.5-173.460.3-89.8000111.4L4 T12 S13 V24 D26 I78 I83 E84L4-F6 HydrophobicContact CD1-CD1 4.42Å; L4-F6 HydrophobicContact CG-CD1 4.27Å; F6-T12 CarbonylContact O-C 3.57Å; F6-T12 WeakPolarHBondContact O-CA 3.37Å; F6-S13 PolarHBondContact N-O 3.09Å; F6-S13 PolarHBondContact O-N 3.11Å; F6-S13 VanDerWaalsContact O-O 3.08Å; F6-V24 HydrophobicContact CD1-CG1 4.11Å; F6-V24 HydrophobicContact CD1-CG2 4.14Å; F6-V24 HydrophobicContact CE1-CB 4.23Å; F6-V24 HydrophobicContact CE1-CG1 3.68Å; F6-V24 HydrophobicContact CE1-CG2 3.52Å; F6-V24 HydrophobicContact CE2-CG1 4.29Å; F6-V24 HydrophobicContact CZ-CG1 3.78Å; F6-V24 HydrophobicContact CZ-CG2 4.22Å; F6-D26 HydrophobicContact CZ-CB 4.33Å; F6-I78 HydrophobicContact CE2-CD1 3.69Å; F6-I78 HydrophobicContact CZ-CD1 3.99Å; F6-I83 HydrophobicContact CB-CB 4.09Å; F6-I83 HydrophobicContact CB-CD1 3.9Å; F6-I83 HydrophobicContact CB-CG1 4.3Å; F6-I83 HydrophobicContact CD2-CB 4.04Å; F6-I83 HydrophobicContact CD2-CD1 4.47Å; F6-I83 HydrophobicContact CD2-CG2 3.7Å; F6-I83 HydrophobicContact CE2-CG2 4.18Å; F6-I83 HydrophobicContact CG-CB 4.34Å; F6-I83 HydrophobicContact CG-CD1 4.09Å; F6-I83 HydrophobicContact CG-CG2 4.33Å; F6-E84 CarbonylContact C-O 3.58Å; F6-E84 WeakPolarHBondContact CA-O 3.36Å; F6-E84 WeakPolarHBondContact CB-O 3.3Å
7K98.3Very high97.7Very high63 Ų6349.2 Ų49.227%0.27424%0.243SC..EExtended strand (participates in β ladder)trans-106.3132.8168.2-156.9-165.8-163.2-154.20108.8D10 K11 I83 E84 L86K7-D10 IonicContact NZ-OD1 2.84Å; K7-D10 PolarHBondContact NZ-OD1 3.08Å; K7-K11 CarbonylContact C-O 3.52Å; K7-K11 WeakPolarHBondContact CA-O 3.44Å; K7-I83 WeakPolarHBondContact O-CA 3.37Å; K7-E84 HydrophobicContact CB-CB 4.06Å; K7-E84 WeakPolarHBondContact CD-OE2 3.28Å; K7-E84 PolarHBondContact N-O 2.71Å; K7-E84 PolarHBondContact O-N 3.39Å; K7-L86 HydrophobicContact CB-CD1 4.46Å
8Y98Very high97.7Very high83 Ų8346.8 Ų46.833%0.32523%0.232SC..EExtended strand (participates in β ladder)trans-137.4128.3173.6176.9-123.1000108.9D10 K11 I78 D82 I83Y8-D10 VanDerWaalsContact C-N 3.26Å; Y8-D10 PolarHBondContact O-N 3.48Å; Y8-K11 PolarHBondContact N-O 2.92Å; Y8-K11 PolarHBondContact O-N 3.25Å; Y8-I78 HydrophobicContact CD1-CD1 3.5Å; Y8-I78 VanDerWaalsContact CD1-CD1 3.5Å; Y8-I78 HydrophobicContact CD1-CG1 4.24Å; Y8-I78 HydrophobicContact CD1-CG2 4.33Å; Y8-I78 HydrophobicContact CD2-CG2 3.71Å; Y8-I78 HydrophobicContact CE1-CD1 3.94Å; Y8-I78 HydrophobicContact CE1-CG1 4.21Å; Y8-I78 HydrophobicContact CE1-CG2 4.35Å; Y8-I78 HydrophobicContact CE2-CG2 3.78Å; Y8-I78 HydrophobicContact CG-CD1 3.9Å; Y8-I78 HydrophobicContact CG-CG2 4.01Å; Y8-D82 HydrophobicContact CD2-CB 4.31Å; Y8-D82 WeakPolarHBondContact CD2-O 3.37Å; Y8-D82 HydrophobicContact CE2-CB 3.97Å; Y8-I83 HydrophobicContact CD2-CG2 4.36Å
9N95.7Very high97.5Very high116 Ų11653.3 Ų53.362%0.6226%0.258SS*.THydrogen-bonded Turntrans47.448.9-175-65.9-40.1000113K11N9-K11 PolarHBondContact O-N 2.95Å; N9-K11 VanDerWaalsContact O-N 3.08Å
10D93.8Very high97.1Very high130 Ų13062.1 Ų62.170%0.69529%0.289SS*.THydrogen-bonded Turntrans626.6-177.6-67.8-51.9000117.2K7 Y8K7-D10 IonicContact NZ-OD1 2.84Å; K7-D10 PolarHBondContact NZ-OD1 3.08Å; Y8-D10 VanDerWaalsContact C-N 3.26Å; Y8-D10 PolarHBondContact O-N 3.48Å
11K96.9Very high97Very high161 Ų16163 Ų6370%0.729%0.293SS*.EExtended strand (participates in β ladder)trans-105.9132.9176-64178-175.9175.30110.3K7 Y8 N9K7-K11 CarbonylContact C-O 3.52Å; K7-K11 WeakPolarHBondContact CA-O 3.44Å; Y8-K11 PolarHBondContact N-O 2.92Å; Y8-K11 PolarHBondContact O-N 3.25Å; N9-K11 PolarHBondContact O-N 2.95Å; N9-K11 VanDerWaalsContact O-N 3.08Å
12T97.7Very high97.1Very high99 Ų9966.1 Ų66.161%0.60731%0.311SS*.EExtended strand (participates in β ladder)trans-71.6132.4168.2-59.80000109.7F6 L86F6-T12 CarbonylContact O-C 3.57Å; F6-T12 WeakPolarHBondContact O-CA 3.37Å; T12-L86 HydrophobicContact CG2-CD1 3.75Å
13S98.1Very high97.1Very high12 Ų1264.1 Ų64.18%0.08430%0.304CS..EExtended strand (participates in β ladder)trans-138.5-177.1168.7-159.90000110F6 D26 T28F6-S13 PolarHBondContact N-O 3.09Å; F6-S13 PolarHBondContact O-N 3.11Å; F6-S13 VanDerWaalsContact O-O 3.08Å; S13-D26 PolarHBondContact OG-OD1 3.02Å; S13-T28 WeakPolarHBondContact OG-CB 3.32Å; S13-T28 PolarHBondContact OG-OG1 2.64Å
14Y98.5Very high97.1Very high1 Ų164.1 Ų64.10%0.00430%0.304CS..EExtended strand (participates in β ladder)trans-145.6163.3176.176.2-74.6000110.1L4 L27 F31 P41 L44 F56L4-Y14 CarbonylContact O-C 3.54Å; L4-Y14 VanDerWaalsContact O-CA 3.28Å; L4-Y14 WeakPolarHBondContact O-CA 3.25Å; L4-Y14 WeakPolarHBondContact O-CB 3.45Å; Y14-L27 HydrophobicContact CD2-CB 4.16Å; Y14-L27 HydrophobicContact CD2-CD1 4.03Å; Y14-L27 HydrophobicContact CE1-CB 4.42Å; Y14-L27 HydrophobicContact CE2-CB 3.63Å; Y14-L27 HydrophobicContact CE2-CD1 3.65Å; Y14-L27 HydrophobicContact CE2-CG 4.31Å; Y14-L27 PolarHBondContact O-N 2.89Å; Y14-F31 WeakPolarHBondContact OH-CD2 3.34Å; Y14-F31 WeakPolarHBondContact OH-CE2 3.29Å; Y14-P41 VanDerWaalsContact CE1-O 3.28Å; Y14-P41 WeakPolarHBondContact CE1-O 3.39Å; Y14-P41 WeakPolarHBondContact OH-CG 3.38Å; Y14-P41 PolarHBondContact OH-O 3.35Å; Y14-L44 HydrophobicContact CD2-CB 3.95Å; Y14-L44 HydrophobicContact CD2-CD1 4.17Å; Y14-L44 HydrophobicContact CG-CB 4.05Å; Y14-F56 HydrophobicContact CE2-CE2 4.44Å; Y14-F56 AromaticContact CE2-CZ 3.87Å; Y14-F56 HydrophobicContact CE2-CZ 3.87Å
15G98.4Very high97.1Very high0 Ų064.5 Ų64.50%031%0.306CS..EExtended strand (participates in β ladder)trans-168.3-172.2-174.200000114.8F3 L4 W25F3-G15 VanDerWaalsContact CA-O 3.32Å; F3-G15 WeakPolarHBondContact CA-O 3.45Å; L4-G15 PolarHBondContact N-O 2.58Å; L4-G15 PolarHBondContact O-N 3.24Å; G15-W25 WeakPolarHBondContact CA-O 3.45Å
16V98.5Very high97Very high10 Ų1064.5 Ų64.56%0.06131%0.305CS..EExtended strand (participates in β ladder)trans-119.2139.1167.4-73.50000110.3M1 K2 F3 V18 W25 L27 V60 V64M1-V16 HydrophobicContact CB-CG1 4.33Å; M1-V16 HydrophobicContact SD-CG1 4.32Å; K2-V16 CarbonylContact O-C 3.5Å; K2-V16 VanDerWaalsContact O-CA 3.29Å; K2-V16 WeakPolarHBondContact O-CA 3.42Å; F3-V16 HydrophobicContact CD1-CG1 3.42Å; F3-V16 VanDerWaalsContact CD1-CG1 3.42Å; F3-V16 HydrophobicContact CD2-CG1 4.27Å; F3-V16 HydrophobicContact CE1-CG1 3.37Å; F3-V16 HydrophobicContact CE2-CG1 4.21Å; F3-V16 HydrophobicContact CG-CG1 3.9Å; F3-V16 HydrophobicContact CZ-CG1 3.79Å; V16-V18 PolarHBondContact O-N 3.35Å; V16-W25 HydrophobicContact CG2-CB 4.04Å; V16-W25 HydrophobicContact CG2-CG 4.43Å; V16-W25 PolarHBondContact N-O 2.96Å; V16-W25 PolarHBondContact O-N 3.38Å; V16-L27 HydrophobicContact CG1-CD1 4.17Å; V16-L27 HydrophobicContact CG2-CD1 4.47Å; V16-L27 HydrophobicContact CG2-CD2 4.46Å; V16-V60 HydrophobicContact CG1-CG1 3.94Å; V16-V60 HydrophobicContact CG2-CG1 3.94Å; V16-V64 HydrophobicContact CG2-CG2 4.25Å
17K98.4Very high97Very high48 Ų4864.5 Ų64.521%0.20931%0.305CS..EExtended strand (participates in β ladder)trans-56.5130.3175.1-176.7-178.3-154.9-58.20109.7K2 E21 D22 F80 Y205K2-K17 HydrophobicContact CB-CB 4.04Å; K2-K17 HydrophobicContact CD-CD 4.38Å; K2-K17 PolarHBondContact O-N 3.22Å; K17-E21 PolarHBondContact NZ-O 3.23Å; K17-D22 IonicContact NZ-OD1 3.23Å; K17-D22 PolarHBondContact NZ-OD1 3.18Å; K17-D22 VanDerWaalsContact NZ-OD1 3.13Å; K17-F80 HydrophobicContact CB-CZ 4.41Å; K17-F80 HydrophobicContact CD-CE2 4.48Å; K17-F80 HydrophobicContact CD-CZ 4.25Å; K17-F80 HydrophobicContact CG-CE2 4.45Å; K17-F80 HydrophobicContact CG-CZ 3.82Å; K17-Y205 HydrophobicContact CB-CE1 4.14Å; K17-Y205 HydrophobicContact CD-CE1 4.08Å; K17-Y205 HydrophobicContact CD-CE2 4.38Å; K17-Y205 VanDerWaalsContact CE-OH 3.27Å; K17-Y205 WeakPolarHBondContact CE-OH 3.42Å; K17-Y205 HydrophobicContact CG-CE1 4.43Å
18V97.7Very high97Very high6 Ų662.6 Ų62.64%0.03630%0.298CS..PPolyproline II helixtrans-66.2132.9171.9-175.70000108.9V16 R20 E21 A23 W25 K77V16-V18 PolarHBondContact O-N 3.35Å; V18-R20 PolarHBondContact O-N 3.08Å; V18-E21 HydrophobicContact CB-CB 3.99Å; V18-E21 HydrophobicContact CG1-CB 3.83Å; V18-E21 HydrophobicContact CG1-CG 4.14Å; V18-E21 WeakPolarHBondContact CG1-OE2 3.41Å; V18-E21 PolarHBondContact O-N 2.96Å; V18-E21 VanDerWaalsContact O-O 3.05Å; V18-A23 HydrophobicContact CB-CB 4.26Å; V18-A23 HydrophobicContact CG2-CB 3.87Å; V18-A23 WeakPolarHBondContact CG2-O 3.47Å; V18-A23 PolarHBondContact N-O 3.45Å; V18-W25 HydrophobicContact CG2-CD2 4.39Å; V18-W25 HydrophobicContact CG2-CG 4.05Å; V18-K77 HydrophobicContact CG1-CD 4.43Å; V18-K77 HydrophobicContact CG2-CD 4.12Å; V18-K77 HydrophobicContact CG2-CG 3.98Å
19K93.5Very high96.9Very high169 Ų16963.2 Ų63.274%0.73530%0.304SS*.THydrogen-bonded Turntrans-64.5124.6-176.9-172.5171.9-175.5173.50109.9E21K19-E21 PolarHBondContact O-N 3.41Å
20R90.9Very high97Very high229 Ų22957.7 Ų57.786%0.86427%0.274SS*.THydrogen-bonded Turntrans63.515178.9-57.6167.8178.8178.2-0.9115.4V18V18-R20 PolarHBondContact O-N 3.08Å
21E94.7Very high97.1Very high82 Ų8251.6 Ų51.638%0.38324%0.242SC..SBendtrans-128.3145.5175-68.2169.8-144.700109.1K17 V18 K19 A23 K77K17-E21 PolarHBondContact NZ-O 3.23Å; V18-E21 HydrophobicContact CB-CB 3.99Å; V18-E21 HydrophobicContact CG1-CB 3.83Å; V18-E21 HydrophobicContact CG1-CG 4.14Å; V18-E21 WeakPolarHBondContact CG1-OE2 3.41Å; V18-E21 PolarHBondContact O-N 2.96Å; V18-E21 VanDerWaalsContact O-O 3.05Å; K19-E21 PolarHBondContact O-N 3.41Å; E21-A23 HydrophobicContact CB-CB 4.4Å; E21-A23 PolarHBondContact O-N 2.95Å; E21-K77 IonicContact OE1-NZ 3.07Å; E21-K77 PolarHBondContact OE1-NZ 2.9Å; E21-K77 IonicContact OE2-NZ 3.38Å; E21-K77 PolarHBondContact OE2-NZ 3.42Å
22D96.7Very high97Very high113 Ų11346.6 Ų46.660%0.60423%0.231SC*.SBendtrans-86.664.7172.9-68-23.7000109.7K17 F80K17-D22 IonicContact NZ-OD1 3.23Å; K17-D22 PolarHBondContact NZ-OD1 3.18Å; K17-D22 VanDerWaalsContact NZ-OD1 3.13Å; D22-F80 HydrophobicContact CB-CB 4.43Å; D22-F80 HydrophobicContact CB-CD2 3.7Å; D22-F80 HydrophobicContact CB-CE2 4.28Å; D22-F80 HydrophobicContact CB-CG 4.21Å; D22-F80 WeakPolarHBondContact O-CG 3.49Å; D22-F80 PolarHBondContact O-N 2.94Å
23A98.2Very high97Very high11 Ų1146.6 Ų46.69%0.09123%0.227CC..EExtended strand (participates in β ladder)trans-145.5161.7-179.700000110.2V18 E21 I78 F80V18-A23 HydrophobicContact CB-CB 4.26Å; V18-A23 HydrophobicContact CG2-CB 3.87Å; V18-A23 WeakPolarHBondContact CG2-O 3.47Å; V18-A23 PolarHBondContact N-O 3.45Å; E21-A23 HydrophobicContact CB-CB 4.4Å; E21-A23 PolarHBondContact O-N 2.95Å; A23-I78 CarbonylContact C-O 3.4Å; A23-I78 WeakPolarHBondContact CA-O 3.43Å; A23-I78 WeakPolarHBondContact CB-O 3.37Å; A23-F80 VanDerWaalsContact O-CE1 3.32Å; A23-F80 WeakPolarHBondContact O-CE1 3.16Å
24V98.7Very high96.9Very high0 Ų048.5 Ų48.50%023%0.234CC..EExtended strand (participates in β ladder)trans-119.7138.9175.755.50000110L4 F6 D26 K77 I78 F80 I83L4-V24 HydrophobicContact CD1-CB 4.26Å; L4-V24 HydrophobicContact CD1-CG2 4.27Å; L4-V24 HydrophobicContact CD2-CB 4.17Å; L4-V24 HydrophobicContact CD2-CG2 3.58Å; L4-V24 HydrophobicContact CG-CG2 4.02Å; F6-V24 HydrophobicContact CD1-CG1 4.11Å; F6-V24 HydrophobicContact CD1-CG2 4.14Å; F6-V24 HydrophobicContact CE1-CB 4.23Å; F6-V24 HydrophobicContact CE1-CG1 3.68Å; F6-V24 HydrophobicContact CE1-CG2 3.52Å; F6-V24 HydrophobicContact CE2-CG1 4.29Å; F6-V24 HydrophobicContact CZ-CG1 3.78Å; F6-V24 HydrophobicContact CZ-CG2 4.22Å; V24-D26 PolarHBondContact O-N 3.34Å; V24-K77 CarbonylContact O-C 3.58Å; V24-K77 VanDerWaalsContact O-CA 3.32Å; V24-K77 WeakPolarHBondContact O-CA 3.28Å; V24-I78 HydrophobicContact CG1-CB 4.05Å; V24-I78 PolarHBondContact N-O 2.59Å; V24-I78 PolarHBondContact O-N 2.75Å; V24-F80 HydrophobicContact CB-CE1 4.01Å; V24-I83 HydrophobicContact CG1-CD1 4.08Å
25W98.5Very high96.5Very high8 Ų849.9 Ų49.93%0.0325%0.245CC..EExtended strand (participates in β ladder)trans-73.9116162.4-72.4107.1000109.1G15 V16 V18 L27 V30 V64 A67 E68 A73 Y76 K77G15-W25 WeakPolarHBondContact CA-O 3.45Å; V16-W25 HydrophobicContact CG2-CB 4.04Å; V16-W25 HydrophobicContact CG2-CG 4.43Å; V16-W25 PolarHBondContact N-O 2.96Å; V16-W25 PolarHBondContact O-N 3.38Å; V18-W25 HydrophobicContact CG2-CD2 4.39Å; V18-W25 HydrophobicContact CG2-CG 4.05Å; W25-L27 PolarHBondContact O-N 3.05Å; W25-V30 HydrophobicContact CE3-CG2 4.17Å; W25-V64 HydrophobicContact CB-CG2 4.43Å; W25-V64 HydrophobicContact CD2-CG1 4.17Å; W25-V64 HydrophobicContact CG-CG1 4.37Å; W25-V64 HydrophobicContact CG-CG2 4.24Å; W25-V64 HydrophobicContact CZ2-CG1 4.07Å; W25-A67 HydrophobicContact CZ3-CB 4.02Å; W25-E68 HydrophobicContact CH2-CG 3.64Å; W25-E68 HydrophobicContact CZ2-CG 3.59Å; W25-A73 HydrophobicContact CH2-CB 3.72Å; W25-A73 HydrophobicContact CZ3-CB 4.32Å; W25-A73 VanDerWaalsContact CZ3-O 3.31Å; W25-A73 WeakPolarHBondContact CZ3-O 3.33Å; W25-Y76 WeakPolarHBondContact CA-O 2.96Å; W25-K77 HydrophobicContact CD2-CG 4.14Å; W25-K77 HydrophobicContact CE3-CG 3.96Å; W25-K77 HydrophobicContact CH2-CG 4.28Å; W25-K77 HydrophobicContact CZ2-CG 4.4Å; W25-K77 HydrophobicContact CZ3-CG 4.05Å
26D98.3Very high95.9Very high14 Ų1455.1 Ų55.18%0.07527%0.27CS..EExtended strand (participates in β ladder)trans-71.895.1176-173.7-10.9000110F6 S13 V24 T28 Q29 V30 Y76 I78F6-D26 HydrophobicContact CZ-CB 4.33Å; S13-D26 PolarHBondContact OG-OD1 3.02Å; V24-D26 PolarHBondContact O-N 3.34Å; D26-T28 PolarHBondContact O-N 3.41Å; D26-T28 WeakPolarHBondContact OD1-CB 3.47Å; D26-T28 PolarHBondContact OD1-N 2.91Å; D26-T28 VanDerWaalsContact OD1-N 3.12Å; D26-Q29 HydrophobicContact CB-CB 4.41Å; D26-Q29 HydrophobicContact CB-CG 4.27Å; D26-Q29 PolarHBondContact O-N 3.19Å; D26-Q29 WeakPolarHBondContact OD2-CG 3.38Å; D26-V30 WeakPolarHBondContact O-CG2 3.35Å; D26-V30 PolarHBondContact O-N 3.48Å; D26-Y76 PolarHBondContact N-O 2.77Å; D26-I78 HydrophobicContact CB-CD1 3.81Å; D26-I78 HydrophobicContact CB-CG1 4.45Å
27L98.1Very high95.2Very high0 Ų057.9 Ų57.90%030%0.3CS..Hα-helixtrans-66.8-22-174.6-73.3176.5000112.8F3 Y14 V16 W25 Q29 V30 F31 V60 V64F3-L27 HydrophobicContact CD1-CD1 4.38Å; F3-L27 HydrophobicContact CE1-CD1 4.02Å; Y14-L27 HydrophobicContact CD2-CB 4.16Å; Y14-L27 HydrophobicContact CD2-CD1 4.03Å; Y14-L27 HydrophobicContact CE1-CB 4.42Å; Y14-L27 HydrophobicContact CE2-CB 3.63Å; Y14-L27 HydrophobicContact CE2-CD1 3.65Å; Y14-L27 HydrophobicContact CE2-CG 4.31Å; Y14-L27 PolarHBondContact O-N 2.89Å; V16-L27 HydrophobicContact CG1-CD1 4.17Å; V16-L27 HydrophobicContact CG2-CD1 4.47Å; V16-L27 HydrophobicContact CG2-CD2 4.46Å; W25-L27 PolarHBondContact O-N 3.05Å; L27-Q29 VanDerWaalsContact C-N 3.31Å; L27-Q29 PolarHBondContact O-N 2.87Å; L27-V30 HydrophobicContact CD2-CB 4.32Å; L27-V30 HydrophobicContact CD2-CG1 4.37Å; L27-F31 HydrophobicContact CB-CD2 4.06Å; L27-F31 HydrophobicContact CB-CE2 4.07Å; L27-F31 HydrophobicContact CD1-CE2 4.41Å; L27-F31 HydrophobicContact CD2-CE2 4.24Å; L27-F31 HydrophobicContact CG-CE2 4.47Å; L27-F31 VanDerWaalsContact O-CB 3.29Å; L27-F31 WeakPolarHBondContact O-CB 3.38Å; L27-F31 WeakPolarHBondContact O-CD2 3.48Å; L27-F31 WeakPolarHBondContact O-CG 3.46Å; L27-F31 PolarHBondContact O-N 3.2Å; L27-V60 HydrophobicContact CD1-CG1 4.07Å; L27-V60 HydrophobicContact CD1-CG2 3.78Å; L27-V60 HydrophobicContact CD2-CG1 3.94Å; L27-V60 HydrophobicContact CD2-CG2 4.35Å; L27-V64 HydrophobicContact CD2-CG2 4.1Å
28T96.9Very high94.5Very high23 Ų2363.7 Ų63.714%0.14133%0.333CS..Hα-helixtrans-64.5-39.6172.9-57.30000110.9S13 D26 A32S13-T28 WeakPolarHBondContact OG-CB 3.32Å; S13-T28 PolarHBondContact OG-OG1 2.64Å; D26-T28 PolarHBondContact O-N 3.41Å; D26-T28 WeakPolarHBondContact OD1-CB 3.47Å; D26-T28 PolarHBondContact OD1-N 2.91Å; D26-T28 VanDerWaalsContact OD1-N 3.12Å; T28-A32 WeakPolarHBondContact O-CB 3.16Å; T28-A32 PolarHBondContact O-N 2.93Å
29Q96.3Very high94Very high95 Ų9563.8 Ų63.844%0.44433%0.334SS..Hα-helixtrans-79.7-44176.6-59-56.2-43.600111.5D26 L27 F31 A32 D33 Y76D26-Q29 HydrophobicContact CB-CB 4.41Å; D26-Q29 HydrophobicContact CB-CG 4.27Å; D26-Q29 PolarHBondContact O-N 3.19Å; D26-Q29 WeakPolarHBondContact OD2-CG 3.38Å; L27-Q29 VanDerWaalsContact C-N 3.31Å; L27-Q29 PolarHBondContact O-N 2.87Å; Q29-F31 VanDerWaalsContact C-N 3.34Å; Q29-F31 PolarHBondContact O-N 3.37Å; Q29-A32 WeakPolarHBondContact O-CB 3.49Å; Q29-A32 PolarHBondContact O-N 3.4Å; Q29-A32 VanDerWaalsContact O-N 3.07Å; Q29-D33 PolarHBondContact O-N 2.88Å; Q29-Y76 HydrophobicContact CB-CD1 3.91Å; Q29-Y76 HydrophobicContact CB-CE1 4.35Å
30V97.6Very high93.9Very high0 Ų058.9 Ų58.90%031%0.313CS..Hα-helixtrans-58.1-46179.1171.90000110.9W25 D26 L27 D33 F34 A63 V64 A67 Y76W25-V30 HydrophobicContact CE3-CG2 4.17Å; D26-V30 WeakPolarHBondContact O-CG2 3.35Å; D26-V30 PolarHBondContact O-N 3.48Å; L27-V30 HydrophobicContact CD2-CB 4.32Å; L27-V30 HydrophobicContact CD2-CG1 4.37Å; V30-D33 PolarHBondContact O-N 2.9Å; V30-F34 HydrophobicContact CG1-CD2 4.3Å; V30-F34 WeakPolarHBondContact O-CB 3.41Å; V30-F34 WeakPolarHBondContact O-CD2 3.02Å; V30-F34 PolarHBondContact O-N 3.03Å; V30-A63 HydrophobicContact CG1-CB 3.68Å; V30-A63 WeakPolarHBondContact CG1-O 3.36Å; V30-V64 HydrophobicContact CG1-CG2 4.5Å; V30-A67 HydrophobicContact CG1-CB 4.29Å; V30-A67 HydrophobicContact CG2-CB 4.42Å; V30-Y76 HydrophobicContact CG2-CD1 3.94Å; V30-Y76 HydrophobicContact CG2-CG 3.99Å
31F97.2Very high94.1Very high2 Ų248 Ų481%0.00927%0.272CS..Hα-helixtrans-70.8-28.6176.5-74.4-51.5000113.4Y14 L27 Q29 D33 A35 F39 H40 P41 F56 Q59 V60 A63Y14-F31 WeakPolarHBondContact OH-CD2 3.34Å; Y14-F31 WeakPolarHBondContact OH-CE2 3.29Å; L27-F31 HydrophobicContact CB-CD2 4.06Å; L27-F31 HydrophobicContact CB-CE2 4.07Å; L27-F31 HydrophobicContact CD1-CE2 4.41Å; L27-F31 HydrophobicContact CD2-CE2 4.24Å; L27-F31 HydrophobicContact CG-CE2 4.47Å; L27-F31 VanDerWaalsContact O-CB 3.29Å; L27-F31 WeakPolarHBondContact O-CB 3.38Å; L27-F31 WeakPolarHBondContact O-CD2 3.48Å; L27-F31 WeakPolarHBondContact O-CG 3.46Å; L27-F31 PolarHBondContact O-N 3.2Å; Q29-F31 VanDerWaalsContact C-N 3.34Å; Q29-F31 PolarHBondContact O-N 3.37Å; F31-D33 PolarHBondContact O-N 3.5Å; F31-A35 HydrophobicContact CB-CB 4.15Å; F31-A35 HydrophobicContact CD1-CB 4Å; F31-A35 WeakPolarHBondContact O-CB 3.34Å; F31-A35 PolarHBondContact O-N 3.14Å; F31-A35 VanDerWaalsContact O-N 3.14Å; F31-F39 HydrophobicContact CE1-CD1 4.5Å; F31-F39 HydrophobicContact CZ-CE1 4.24Å; F31-H40 HydrophobicContact CB-CB 4.22Å; F31-P41 HydrophobicContact CE2-CG 4.37Å; F31-F56 HydrophobicContact CE2-CE2 4.02Å; F31-F56 HydrophobicContact CZ-CE2 4.21Å; F31-Q59 HydrophobicContact CE1-CB 4.25Å; F31-Q59 HydrophobicContact CZ-CB 4.41Å; F31-V60 HydrophobicContact CE2-CG2 4.08Å; F31-V60 HydrophobicContact CZ-CB 4.39Å; F31-V60 HydrophobicContact CZ-CG2 3.62Å; F31-A63 HydrophobicContact CD1-CB 3.75Å; F31-A63 HydrophobicContact CE1-CB 3.65Å
32A95.1Very high94.1Very high57 Ų5750 Ų5047%0.47128%0.28SS..Hα-helixtrans-62-34.7175.900000112.1T28 Q29T28-A32 WeakPolarHBondContact O-CB 3.16Å; T28-A32 PolarHBondContact O-N 2.93Å; Q29-A32 WeakPolarHBondContact O-CB 3.49Å; Q29-A32 PolarHBondContact O-N 3.4Å; Q29-A32 VanDerWaalsContact O-N 3.07Å
33D95.9Very high94.1Very high98 Ų9847.8 Ų47.852%0.52427%0.27SS..Hα-helixtrans-99.7-28-175.8-69.9-10.1000113.7Q29 V30 F31 Y76Q29-D33 PolarHBondContact O-N 2.88Å; V30-D33 PolarHBondContact O-N 2.9Å; F31-D33 PolarHBondContact O-N 3.5Å; D33-Y76 HydrophobicContact CB-CE1 4.26Å; D33-Y76 VanDerWaalsContact OD2-CE1 3.25Å; D33-Y76 WeakPolarHBondContact OD2-CE1 3.39Å; D33-Y76 PolarHBondContact OD2-OH 2.81Å
34F96Very high94.1Very high52 Ų5247.4 Ų47.423%0.22827%0.266CS..Hα-helixtrans-129.16.6-169.4-52.6-70.4000115.7V30 A63 A66 A67 Y76V30-F34 HydrophobicContact CG1-CD2 4.3Å; V30-F34 WeakPolarHBondContact O-CB 3.41Å; V30-F34 WeakPolarHBondContact O-CD2 3.02Å; V30-F34 PolarHBondContact O-N 3.03Å; F34-A63 HydrophobicContact CB-CB 4.37Å; F34-A66 HydrophobicContact CB-CB 3.91Å; F34-A66 HydrophobicContact CD1-CB 3.89Å; F34-A66 HydrophobicContact CG-CB 4.01Å; F34-A67 HydrophobicContact CD2-CB 3.72Å; F34-A67 VanDerWaalsContact CE2-CA 3.48Å; F34-A67 HydrophobicContact CE2-CB 3.51Å; F34-A67 HydrophobicContact CZ-CB 4.3Å; F34-Y76 HydrophobicContact CE2-CD2 4.29Å; F34-Y76 AromaticContact CE2-CE1 3.88Å; F34-Y76 HydrophobicContact CE2-CE1 3.88Å; F34-Y76 AromaticContact CE2-CE2 3.61Å; F34-Y76 HydrophobicContact CE2-CE2 3.61Å; F34-Y76 AromaticContact CE2-CZ 3.38Å; F34-Y76 WeakPolarHBondContact CE2-OH 3.36Å; F34-Y76 AromaticContact CZ-CE2 3.99Å; F34-Y76 HydrophobicContact CZ-CE2 3.99Å; F34-Y76 AromaticContact CZ-CZ 3.88Å
35A91.2Very high94Very high30 Ų3049.3 Ų49.325%0.24828%0.277CS..  trans-63140.9176.300000112.4F31 G37 F39 H40F31-A35 HydrophobicContact CB-CB 4.15Å; F31-A35 HydrophobicContact CD1-CB 4Å; F31-A35 WeakPolarHBondContact O-CB 3.34Å; F31-A35 PolarHBondContact O-N 3.14Å; F31-A35 VanDerWaalsContact O-N 3.14Å; A35-G37 PolarHBondContact O-N 3.5Å; A35-F39 WeakPolarHBondContact CB-O 3.32Å; A35-H40 HydrophobicContact CB-CB 4.41Å
36E84.7Confident94Very high111 Ų11150 Ų5052%0.51928%0.283SS..SBendtrans-82.1112.2167.4-69.9-179.2178.100109.4K62E36-K62 IonicContact OE1-NZ 2.96Å; E36-K62 PolarHBondContact OE1-NZ 3.27Å; E36-K62 IonicContact OE2-NZ 2.82Å; E36-K62 PolarHBondContact OE2-NZ 3.03Å
37G84.4Confident93.9Very high67 Ų6749.3 Ų49.369%0.69128%0.28SS*.THydrogen-bonded Turntrans71.8-146.4178.800000113.3A35 F39A35-G37 PolarHBondContact O-N 3.5Å; G37-F39 VanDerWaalsContact C-N 3.31Å; G37-F39 PolarHBondContact O-N 3.12Å
38D83.4Confident93.9Very high170 Ų17049.3 Ų49.391%0.90928%0.28SS*.THydrogen-bonded Turntrans-87.74.8-175.5-62.3-37.8000113.5H40D38-H40 PolarHBondContact O-N 2.59Å
39F86.9Confident93.9Very high9 Ų952 Ų524%0.03929%0.291CS..  trans-77.993.3-178.3-174.7-95.3000111.3F31 A35 G37 P41 Q50 L54 F56 Q59F31-F39 HydrophobicContact CE1-CD1 4.5Å; F31-F39 HydrophobicContact CZ-CE1 4.24Å; A35-F39 WeakPolarHBondContact CB-O 3.32Å; G37-F39 VanDerWaalsContact C-N 3.31Å; G37-F39 PolarHBondContact O-N 3.12Å; F39-P41 HydrophobicContact CE1-CG 3.97Å; F39-P41 HydrophobicContact CZ-CG 3.91Å; F39-Q50 HydrophobicContact CE2-CB 3.73Å; F39-L54 HydrophobicContact CB-CD1 3.74Å; F39-L54 HydrophobicContact CD2-CB 4.13Å; F39-L54 HydrophobicContact CD2-CD1 3.67Å; F39-L54 HydrophobicContact CE2-CB 4.2Å; F39-L54 HydrophobicContact CG-CD1 3.88Å; F39-F56 AromaticContact CE1-CD2 3.74Å; F39-F56 HydrophobicContact CE1-CD2 3.74Å; F39-F56 HydrophobicContact CE1-CE2 4.33Å; F39-F56 HydrophobicContact CZ-CB 4.25Å; F39-F56 AromaticContact CZ-CD2 3.56Å; F39-F56 HydrophobicContact CZ-CD2 3.56Å; F39-F56 HydrophobicContact CZ-CE2 4.35Å; F39-F56 HydrophobicContact CZ-CG 4.25Å; F39-Q59 HydrophobicContact CD1-CB 3.65Å; F39-Q59 HydrophobicContact CD1-CG 3.59Å; F39-Q59 HydrophobicContact CE1-CB 3.49Å; F39-Q59 VanDerWaalsContact CE1-CB 3.49Å; F39-Q59 HydrophobicContact CE1-CG 3.67Å; F39-Q59 HydrophobicContact CG-CG 4.24Å; F39-Q59 HydrophobicContact CZ-CB 4.44Å; F39-Q59 HydrophobicContact CZ-CG 4.35Å
40H91.3Very high93.8Very high65 Ų6550.8 Ų50.830%0.30129%0.285SS..  trans-146.679.9-177.6139.8-145.9000108F31 A35 D38 K42F31-H40 HydrophobicContact CB-CB 4.22Å; A35-H40 HydrophobicContact CB-CB 4.41Å; D38-H40 PolarHBondContact O-N 2.59Å; H40-K42 WeakPolarHBondContact CE1-CE 3.4Å; H40-K42 PolarHBondContact CE1-NZ 3.07Å; H40-K42 WeakPolarHBondContact NE2-CD 2.87Å; H40-K42 WeakPolarHBondContact NE2-CE 3.2Å; H40-K42 PolarHBondContact NE2-NZ 3.36Å; H40-K42 PolarHBondContact O-N 2.77Å
41P95.1Very high93.7Very high1 Ų152.4 Ų52.41%0.00629%0.294CS..  trans-65.7135.2175.418.5-20.2000110.3Y14 F31 F39 A46 F56Y14-P41 VanDerWaalsContact CE1-O 3.28Å; Y14-P41 WeakPolarHBondContact CE1-O 3.39Å; Y14-P41 WeakPolarHBondContact OH-CG 3.38Å; Y14-P41 PolarHBondContact OH-O 3.35Å; F31-P41 HydrophobicContact CE2-CG 4.37Å; F39-P41 HydrophobicContact CE1-CG 3.97Å; F39-P41 HydrophobicContact CZ-CG 3.91Å; P41-A46 HydrophobicContact CB-CB 3.97Å; P41-F56 HydrophobicContact CG-CD2 4.36Å; P41-F56 HydrophobicContact CG-CE2 3.83Å
42K94.8Very high93.3Very high125 Ų12559 Ų5954%0.54332%0.324SS..SBendtrans-84-13.8179.4-68.1-61.3-163.3-179.30114.1H40H40-K42 WeakPolarHBondContact CE1-CE 3.4Å; H40-K42 PolarHBondContact CE1-NZ 3.07Å; H40-K42 WeakPolarHBondContact NE2-CD 2.87Å; H40-K42 WeakPolarHBondContact NE2-CE 3.2Å; H40-K42 PolarHBondContact NE2-NZ 3.36Å; H40-K42 PolarHBondContact O-N 2.77Å
43T97.2Very high93Very high66 Ų6661 Ų6141%0.40533%0.331SS..SBendtrans-142159.4179.765.30000109.7L45 A46 G47T43-L45 VanDerWaalsContact C-N 3.28Å; T43-L45 PolarHBondContact O-N 3.16Å; T43-A46 PolarHBondContact O-N 3.48Å; T43-A46 WeakPolarHBondContact OG1-CB 3.25Å; T43-A46 PolarHBondContact OG1-N 3.26Å; T43-A46 VanDerWaalsContact OG1-N 3.09Å; T43-G47 PolarHBondContact O-N 2.99Å; T43-G47 VanDerWaalsContact O-N 3.09Å
44L98.1Very high92.7Very high2 Ų259.9 Ų59.91%0.0133%0.325CS..Hα-helixtrans-58.5-43174.5-177.753.2000111.4F3 Y14 A46 G47 L48 F56 P88 V89 I206F3-L44 HydrophobicContact CB-CD1 3.95Å; F3-L44 HydrophobicContact CB-CD2 3.75Å; F3-L44 HydrophobicContact CD1-CD1 3.57Å; F3-L44 HydrophobicContact CE1-CD1 4.26Å; F3-L44 HydrophobicContact CG-CD1 3.91Å; Y14-L44 HydrophobicContact CD2-CB 3.95Å; Y14-L44 HydrophobicContact CD2-CD1 4.17Å; Y14-L44 HydrophobicContact CG-CB 4.05Å; L44-A46 VanDerWaalsContact C-N 3.34Å; L44-A46 PolarHBondContact O-N 2.89Å; L44-G47 WeakPolarHBondContact O-CA 3.41Å; L44-G47 PolarHBondContact O-N 2.97Å; L44-G47 VanDerWaalsContact O-N 3.09Å; L44-L48 WeakPolarHBondContact O-CG 3.24Å; L44-L48 PolarHBondContact O-N 2.67Å; L44-F56 HydrophobicContact CD1-CE1 3.74Å; L44-F56 HydrophobicContact CD1-CZ 4.15Å; L44-P88 HydrophobicContact CD2-CB 4.31Å; L44-P88 WeakPolarHBondContact CD2-O 3.32Å; L44-V89 HydrophobicContact CB-CG1 4.13Å; L44-V89 HydrophobicContact CD2-CG1 3.95Å; L44-V89 HydrophobicContact CG-CG1 3.81Å; L44-I206 HydrophobicContact CD2-CD1 4.05Å
45L98Very high92.7Very high41 Ų4161.8 Ų61.822%0.21534%0.337CS..Hα-helixtrans-58.4-44176.7-179.163.4000112T43 G47 L48 Q49 V89 P92 P256T43-L45 VanDerWaalsContact C-N 3.28Å; T43-L45 PolarHBondContact O-N 3.16Å; L45-G47 VanDerWaalsContact C-N 3.26Å; L45-G47 PolarHBondContact O-N 3.32Å; L45-L48 PolarHBondContact O-N 3.03Å; L45-Q49 HydrophobicContact CD1-CG 4.23Å; L45-Q49 HydrophobicContact CG-CG 4.41Å; L45-Q49 WeakPolarHBondContact O-CB 3.03Å; L45-Q49 VanDerWaalsContact O-CG 3.29Å; L45-Q49 WeakPolarHBondContact O-CG 3.29Å; L45-Q49 PolarHBondContact O-N 2.93Å; L45-V89 HydrophobicContact CB-CG1 4.42Å; L45-P92 HydrophobicContact CD1-CG 4.14Å; L45-P256 WeakPolarHBondContact CD1-O 3.32Å
46A97Very high92.9Very high21 Ų2160.3 Ų60.317%0.17433%0.325CS..Hα-helixtrans-63.6-33.917700000112.1P41 T43 L44 Q50P41-A46 HydrophobicContact CB-CB 3.97Å; T43-A46 PolarHBondContact O-N 3.48Å; T43-A46 WeakPolarHBondContact OG1-CB 3.25Å; T43-A46 PolarHBondContact OG1-N 3.26Å; T43-A46 VanDerWaalsContact OG1-N 3.09Å; L44-A46 VanDerWaalsContact C-N 3.34Å; L44-A46 PolarHBondContact O-N 2.89Å; A46-Q50 WeakPolarHBondContact O-CB 3.42Å; A46-Q50 VanDerWaalsContact O-CG 3.28Å; A46-Q50 WeakPolarHBondContact O-CG 3.41Å; A46-Q50 PolarHBondContact O-N 2.72Å; A46-Q50 VanDerWaalsContact O-N 3.14Å; A46-Q50 PolarHBondContact O-NE2 3.26Å
47G97.2Very high93.4Very high0 Ų056.8 Ų56.80%031%0.309CS..Hα-helixtrans-66.2-47.7173.100000112.3T43 L44 L45 Q49 Q50 N51 F56T43-G47 PolarHBondContact O-N 2.99Å; T43-G47 VanDerWaalsContact O-N 3.09Å; L44-G47 WeakPolarHBondContact O-CA 3.41Å; L44-G47 PolarHBondContact O-N 2.97Å; L44-G47 VanDerWaalsContact O-N 3.09Å; L45-G47 VanDerWaalsContact C-N 3.26Å; L45-G47 PolarHBondContact O-N 3.32Å; G47-Q49 VanDerWaalsContact C-N 3.31Å; G47-Q49 PolarHBondContact O-N 3.23Å; G47-Q50 PolarHBondContact O-N 3.13Å; G47-N51 PolarHBondContact O-N 2.85Å; G47-N51 VanDerWaalsContact O-N 3.14Å; G47-F56 VanDerWaalsContact C-CD1 3.47Å
48L97.6Very high94Very high0 Ų056.6 Ų56.60%029%0.29CS..Hα-helixtrans-58.2-43.4174.6-64.9-179.7000111.9L44 L45 Q50 N51 F56 V89 V152 Y170 P256L44-L48 WeakPolarHBondContact O-CG 3.24Å; L44-L48 PolarHBondContact O-N 2.67Å; L45-L48 PolarHBondContact O-N 3.03Å; L48-Q50 VanDerWaalsContact C-N 3.3Å; L48-Q50 PolarHBondContact O-N 2.7Å; L48-N51 WeakPolarHBondContact O-CB 3.28Å; L48-N51 PolarHBondContact O-N 3.33Å; L48-F56 HydrophobicContact CD2-CD1 4.48Å; L48-V89 HydrophobicContact CD1-CG1 3.83Å; L48-V152 HydrophobicContact CD1-CG1 4.12Å; L48-Y170 HydrophobicContact CD2-CD1 3.38Å; L48-Y170 HydrophobicContact CD2-CD2 3.71Å; L48-Y170 HydrophobicContact CD2-CE1 3.33Å; L48-Y170 HydrophobicContact CD2-CE2 3.67Å; L48-Y170 HydrophobicContact CD2-CG 3.56Å; L48-Y170 VanDerWaalsContact CD2-CZ 3.47Å; L48-P256 HydrophobicContact CB-CB 4.32Å; L48-P256 WeakPolarHBondContact O-CB 3.4Å
49Q97.1Very high94.6Very high81 Ų8149.3 Ų49.338%0.37925%0.251SS..Hα-helixtrans-68.1-28.5-179.3-73.8175.1-17.800112.9L45 G47 H52 P256L45-Q49 HydrophobicContact CD1-CG 4.23Å; L45-Q49 HydrophobicContact CG-CG 4.41Å; L45-Q49 WeakPolarHBondContact O-CB 3.03Å; L45-Q49 VanDerWaalsContact O-CG 3.29Å; L45-Q49 WeakPolarHBondContact O-CG 3.29Å; L45-Q49 PolarHBondContact O-N 2.93Å; G47-Q49 VanDerWaalsContact C-N 3.31Å; G47-Q49 PolarHBondContact O-N 3.23Å; Q49-H52 PolarHBondContact O-CE1 3.49Å; Q49-H52 PolarHBondContact O-ND1 3Å; Q49-P256 HydrophobicContact CG-CB 4.1Å
50Q94.6Very high95.1Very high69 Ų6949 Ų4932%0.32225%0.249SC..Hα-helixtrans-88.7-6.9176.6-68.7172.669.700113.7F39 A46 G47 L48 H52 T53 L54F39-Q50 HydrophobicContact CE2-CB 3.73Å; A46-Q50 WeakPolarHBondContact O-CB 3.42Å; A46-Q50 VanDerWaalsContact O-CG 3.28Å; A46-Q50 WeakPolarHBondContact O-CG 3.41Å; A46-Q50 PolarHBondContact O-N 2.72Å; A46-Q50 VanDerWaalsContact O-N 3.14Å; A46-Q50 PolarHBondContact O-NE2 3.26Å; G47-Q50 PolarHBondContact O-N 3.13Å; L48-Q50 VanDerWaalsContact C-N 3.3Å; L48-Q50 PolarHBondContact O-N 2.7Å; Q50-H52 PolarHBondContact O-N 3.41Å; Q50-T53 WeakPolarHBondContact O-CB 3.39Å; Q50-T53 PolarHBondContact O-N 3.37Å; Q50-L54 PolarHBondContact O-N 3.02Å
51N94Very high95.4Very high34 Ų3451.2 Ų51.218%0.18226%0.255CS..THydrogen-bonded Turntrans-56.7-24.6-176.2-174.467.2000114.4G47 L48 T53 L54 F56G47-N51 PolarHBondContact O-N 2.85Å; G47-N51 VanDerWaalsContact O-N 3.14Å; L48-N51 WeakPolarHBondContact O-CB 3.28Å; L48-N51 PolarHBondContact O-N 3.33Å; N51-T53 VanDerWaalsContact C-N 3.33Å; N51-L54 CarbonylContact C-O 3.56Å; N51-L54 VanDerWaalsContact CA-O 3.26Å; N51-L54 WeakPolarHBondContact CA-O 3.28Å; N51-F56 HydrophobicContact CB-CB 4.06Å; N51-F56 WeakPolarHBondContact OD1-CB 3.48Å; N51-F56 PolarHBondContact OD1-N 3.42Å
52H89.2Confident95.4Very high139 Ų13954.2 Ų54.264%0.64427%0.268SS*.THydrogen-bonded Turntrans-75.6-20176.669.4-81.6000113.5Q49 Q50Q49-H52 PolarHBondContact O-CE1 3.49Å; Q49-H52 PolarHBondContact O-ND1 3Å; Q50-H52 PolarHBondContact O-N 3.41Å
53T89.5Confident95.5Very high101 Ų10148.4 Ų48.462%0.6224%0.243SC*.THydrogen-bonded Turntrans-93.6-45.5178.6-60.10000110.9Q50 N51Q50-T53 WeakPolarHBondContact O-CB 3.39Å; Q50-T53 PolarHBondContact O-N 3.37Å; N51-T53 VanDerWaalsContact C-N 3.33Å
54L90.5Very high95.5Very high73 Ų7346 Ų4638%0.38223%0.228SC..SBendtrans-135.3133.7176.6-72.4167.8000107.9F39 Q50 N51 F56 Q59F39-L54 HydrophobicContact CB-CD1 3.74Å; F39-L54 HydrophobicContact CD2-CB 4.13Å; F39-L54 HydrophobicContact CD2-CD1 3.67Å; F39-L54 HydrophobicContact CE2-CB 4.2Å; F39-L54 HydrophobicContact CG-CD1 3.88Å; Q50-L54 PolarHBondContact O-N 3.02Å; N51-L54 CarbonylContact C-O 3.56Å; N51-L54 VanDerWaalsContact CA-O 3.26Å; N51-L54 WeakPolarHBondContact CA-O 3.28Å; L54-F56 PolarHBondContact O-N 3.41Å; L54-Q59 HydrophobicContact CB-CG 4.39Å
55D94.2Very high95.5Very high92 Ų9248.6 Ų48.649%0.49224%0.244SC..  trans-59.4105.8177.1-177.1-31.3000109.6Q57 E58 Q59D55-Q57 VanDerWaalsContact C-N 3.3Å; D55-Q57 PolarHBondContact O-N 2.76Å; D55-Q57 PolarHBondContact OD1-N 3.48Å; D55-E58 HydrophobicContact CB-CB 3.9Å; D55-E58 PolarHBondContact O-N 2.91Å; D55-E58 PolarHBondContact OD1-N 2.87Å; D55-Q59 WeakPolarHBondContact O-CG 3.4Å; D55-Q59 PolarHBondContact O-N 2.96Å
56F96.2Very high95.4Very high0 Ų048.4 Ų48.40%025%0.248CC..Hα-helixtrans-66-36.1-171.9175.6-141.2000111.4F3 Y14 F31 F39 P41 L44 G47 L48 N51 L54 E58 Q59 V60 Y170F3-F56 HydrophobicContact CD1-CE1 4.4Å; F3-F56 AromaticContact CE1-CE1 3.8Å; F3-F56 HydrophobicContact CE1-CE1 3.8Å; F3-F56 AromaticContact CE1-CZ 3.87Å; F3-F56 HydrophobicContact CE1-CZ 3.87Å; F3-F56 HydrophobicContact CZ-CD1 4.48Å; F3-F56 HydrophobicContact CZ-CE1 4.1Å; F3-F56 HydrophobicContact CZ-CZ 4.47Å; Y14-F56 HydrophobicContact CE2-CE2 4.44Å; Y14-F56 AromaticContact CE2-CZ 3.87Å; Y14-F56 HydrophobicContact CE2-CZ 3.87Å; F31-F56 HydrophobicContact CE2-CE2 4.02Å; F31-F56 HydrophobicContact CZ-CE2 4.21Å; F39-F56 AromaticContact CE1-CD2 3.74Å; F39-F56 HydrophobicContact CE1-CD2 3.74Å; F39-F56 HydrophobicContact CE1-CE2 4.33Å; F39-F56 HydrophobicContact CZ-CB 4.25Å; F39-F56 AromaticContact CZ-CD2 3.56Å; F39-F56 HydrophobicContact CZ-CD2 3.56Å; F39-F56 HydrophobicContact CZ-CE2 4.35Å; F39-F56 HydrophobicContact CZ-CG 4.25Å; P41-F56 HydrophobicContact CG-CD2 4.36Å; P41-F56 HydrophobicContact CG-CE2 3.83Å; L44-F56 HydrophobicContact CD1-CE1 3.74Å; L44-F56 HydrophobicContact CD1-CZ 4.15Å; G47-F56 VanDerWaalsContact C-CD1 3.47Å; L48-F56 HydrophobicContact CD2-CD1 4.48Å; N51-F56 HydrophobicContact CB-CB 4.06Å; N51-F56 WeakPolarHBondContact OD1-CB 3.48Å; N51-F56 PolarHBondContact OD1-N 3.42Å; L54-F56 PolarHBondContact O-N 3.41Å; F56-E58 VanDerWaalsContact C-N 3.35Å; F56-Q59 PolarHBondContact O-N 3Å; F56-V60 HydrophobicContact CD2-CG2 3.95Å; F56-V60 HydrophobicContact CE2-CG2 3.62Å; F56-V60 HydrophobicContact CZ-CG2 4.12Å; F56-V60 VanDerWaalsContact O-CG2 3.28Å; F56-V60 WeakPolarHBondContact O-CG2 3.35Å; F56-V60 PolarHBondContact O-N 3.01Å; F56-Y170 WeakPolarHBondContact CD1-OH 3.18Å
57Q96Very high95.4Very high36 Ų3647.4 Ų47.417%0.16824%0.24CC..Hα-helixtrans-66.6-41.1178.6-60.4-175.935.600110.9M1 F3 D55 V60 R61 Y170 T208 D210M1-Q57 WeakPolarHBondContact CE-O 3.36Å; F3-Q57 HydrophobicContact CE2-CG 4.43Å; D55-Q57 VanDerWaalsContact C-N 3.3Å; D55-Q57 PolarHBondContact O-N 2.76Å; D55-Q57 PolarHBondContact OD1-N 3.48Å; Q57-V60 PolarHBondContact O-N 3.42Å; Q57-R61 WeakPolarHBondContact O-CB 3.27Å; Q57-R61 PolarHBondContact O-N 2.81Å; Q57-Y170 HydrophobicContact CG-CE2 4.2Å; Q57-Y170 VanDerWaalsContact CG-OH 3.26Å; Q57-Y170 WeakPolarHBondContact CG-OH 3.42Å; Q57-T208 VanDerWaalsContact CD-CG2 3.41Å; Q57-T208 HydrophobicContact CG-CG2 4.02Å; Q57-D210 PolarHBondContact OE1-OD1 3Å
58E96.1Very high95.4Very high64 Ų6452.2 Ų52.230%0.29926%0.262SS..Hα-helixtrans-65.5-39.8176.8177.158.6-170.300111.9D55 F56 R61 K62D55-E58 HydrophobicContact CB-CB 3.9Å; D55-E58 PolarHBondContact O-N 2.91Å; D55-E58 PolarHBondContact OD1-N 2.87Å; F56-E58 VanDerWaalsContact C-N 3.35Å; E58-R61 WeakPolarHBondContact O-CB 3.5Å; E58-R61 PolarHBondContact O-N 2.82Å; E58-R61 IonicContact OE1-CZ 2.72Å; E58-R61 IonicContact OE1-NE 3.47Å; E58-R61 IonicContact OE1-NH2 2.76Å; E58-R61 PolarHBondContact OE1-NH2 3.35Å; E58-R61 IonicContact OE2-CZ 3.41Å; E58-R61 IonicContact OE2-NE 3.48Å; E58-R61 PolarHBondContact OE2-NE 3.47Å; E58-R61 IonicContact OE2-NH2 3.13Å; E58-R61 PolarHBondContact OE2-NH2 2.67Å; E58-K62 WeakPolarHBondContact O-CG 3.46Å; E58-K62 PolarHBondContact O-N 2.76Å; E58-K62 WeakPolarHBondContact OE1-CE 3.44Å
59Q96.6Very high95.4Very high17 Ų1758.6 Ų58.68%0.07930%0.297CS..Hα-helixtrans-62.7-43.1174.7-64.9-54.5-42.200111.9F31 F39 L54 D55 F56 R61 K62 A63F31-Q59 HydrophobicContact CE1-CB 4.25Å; F31-Q59 HydrophobicContact CZ-CB 4.41Å; F39-Q59 HydrophobicContact CD1-CB 3.65Å; F39-Q59 HydrophobicContact CD1-CG 3.59Å; F39-Q59 HydrophobicContact CE1-CB 3.49Å; F39-Q59 VanDerWaalsContact CE1-CB 3.49Å; F39-Q59 HydrophobicContact CE1-CG 3.67Å; F39-Q59 HydrophobicContact CG-CG 4.24Å; F39-Q59 HydrophobicContact CZ-CB 4.44Å; F39-Q59 HydrophobicContact CZ-CG 4.35Å; L54-Q59 HydrophobicContact CB-CG 4.39Å; D55-Q59 WeakPolarHBondContact O-CG 3.4Å; D55-Q59 PolarHBondContact O-N 2.96Å; F56-Q59 PolarHBondContact O-N 3Å; Q59-R61 VanDerWaalsContact C-N 3.35Å; Q59-R61 PolarHBondContact O-N 2.68Å; Q59-K62 PolarHBondContact O-N 2.88Å; Q59-A63 WeakPolarHBondContact O-CB 3.18Å; Q59-A63 PolarHBondContact O-N 3.26Å
60V97.2Very high95.3Very high1 Ų157 Ų571%0.00629%0.294CS..Hα-helixtrans-59.8-46.2173.9169.90000110.8M1 F3 V16 L27 F31 F56 Q57 K62 A63 V64M1-V60 HydrophobicContact CE-CG1 4.3Å; M1-V60 HydrophobicContact SD-CB 4.21Å; M1-V60 HydrophobicContact SD-CG1 3.75Å; F3-V60 HydrophobicContact CE1-CG1 4.49Å; F3-V60 HydrophobicContact CE1-CG2 3.9Å; F3-V60 HydrophobicContact CZ-CG2 4.06Å; V16-V60 HydrophobicContact CG1-CG1 3.94Å; V16-V60 HydrophobicContact CG2-CG1 3.94Å; L27-V60 HydrophobicContact CD1-CG1 4.07Å; L27-V60 HydrophobicContact CD1-CG2 3.78Å; L27-V60 HydrophobicContact CD2-CG1 3.94Å; L27-V60 HydrophobicContact CD2-CG2 4.35Å; F31-V60 HydrophobicContact CE2-CG2 4.08Å; F31-V60 HydrophobicContact CZ-CB 4.39Å; F31-V60 HydrophobicContact CZ-CG2 3.62Å; F56-V60 HydrophobicContact CD2-CG2 3.95Å; F56-V60 HydrophobicContact CE2-CG2 3.62Å; F56-V60 HydrophobicContact CZ-CG2 4.12Å; F56-V60 VanDerWaalsContact O-CG2 3.28Å; F56-V60 WeakPolarHBondContact O-CG2 3.35Å; F56-V60 PolarHBondContact O-N 3.01Å; Q57-V60 PolarHBondContact O-N 3.42Å; V60-K62 PolarHBondContact O-N 2.9Å; V60-A63 PolarHBondContact O-N 3.35Å; V60-V64 HydrophobicContact CG1-CG2 4.22Å; V60-V64 WeakPolarHBondContact O-CB 3.28Å; V60-V64 VanDerWaalsContact O-CG2 3.32Å; V60-V64 WeakPolarHBondContact O-CG2 3.32Å; V60-V64 PolarHBondContact O-N 3.03Å
61R96.8Very high95.3Very high112 Ų11257.1 Ų57.142%0.42331%0.314SS..Hα-helixtrans-57.2-49.2179.3-168.1-168.66470.20.8111.2M1 Q57 E58 Q59 V65M1-R61 HydrophobicContact CE-CB 3.71Å; M1-R61 HydrophobicContact CE-CG 4.29Å; Q57-R61 WeakPolarHBondContact O-CB 3.27Å; Q57-R61 PolarHBondContact O-N 2.81Å; E58-R61 WeakPolarHBondContact O-CB 3.5Å; E58-R61 PolarHBondContact O-N 2.82Å; E58-R61 IonicContact OE1-CZ 2.72Å; E58-R61 IonicContact OE1-NE 3.47Å; E58-R61 IonicContact OE1-NH2 2.76Å; E58-R61 PolarHBondContact OE1-NH2 3.35Å; E58-R61 IonicContact OE2-CZ 3.41Å; E58-R61 IonicContact OE2-NE 3.48Å; E58-R61 PolarHBondContact OE2-NE 3.47Å; E58-R61 IonicContact OE2-NH2 3.13Å; E58-R61 PolarHBondContact OE2-NH2 2.67Å; Q59-R61 VanDerWaalsContact C-N 3.35Å; Q59-R61 PolarHBondContact O-N 2.68Å; R61-V65 WeakPolarHBondContact O-CB 3.16Å; R61-V65 VanDerWaalsContact O-CG2 3.25Å; R61-V65 WeakPolarHBondContact O-CG2 3.47Å; R61-V65 PolarHBondContact O-N 3.37Å
62K96.7Very high95.3Very high65 Ų6561.5 Ų61.528%0.28333%0.332SS..Hα-helixtrans-62-47.8179.9-73.1174.1165.9-164.90112.1E36 E58 Q59 V60 V65 A66E36-K62 IonicContact OE1-NZ 2.96Å; E36-K62 PolarHBondContact OE1-NZ 3.27Å; E36-K62 IonicContact OE2-NZ 2.82Å; E36-K62 PolarHBondContact OE2-NZ 3.03Å; E58-K62 WeakPolarHBondContact O-CG 3.46Å; E58-K62 PolarHBondContact O-N 2.76Å; E58-K62 WeakPolarHBondContact OE1-CE 3.44Å; Q59-K62 PolarHBondContact O-N 2.88Å; V60-K62 PolarHBondContact O-N 2.9Å; K62-V65 PolarHBondContact O-N 2.8Å; K62-A66 PolarHBondContact O-N 2.83Å
63A96.8Very high95.7Very high2 Ų255.9 Ų55.92%0.01731%0.309CS..Hα-helixtrans-67.5-39.1-176.900000112.1V30 F31 F34 Q59 V60 A66 A67V30-A63 HydrophobicContact CG1-CB 3.68Å; V30-A63 WeakPolarHBondContact CG1-O 3.36Å; F31-A63 HydrophobicContact CD1-CB 3.75Å; F31-A63 HydrophobicContact CE1-CB 3.65Å; F34-A63 HydrophobicContact CB-CB 4.37Å; Q59-A63 WeakPolarHBondContact O-CB 3.18Å; Q59-A63 PolarHBondContact O-N 3.26Å; V60-A63 PolarHBondContact O-N 3.35Å; A63-A66 PolarHBondContact O-N 2.81Å; A63-A67 PolarHBondContact O-N 3.38Å
64V97Very high96Very high17 Ų1757.1 Ų57.110%0.10331%0.308CS..Hα-helixtrans-64.9-43.1174.2170.30000111.4V16 W25 L27 V30 V60 A66 A67 E68V16-V64 HydrophobicContact CG2-CG2 4.25Å; W25-V64 HydrophobicContact CB-CG2 4.43Å; W25-V64 HydrophobicContact CD2-CG1 4.17Å; W25-V64 HydrophobicContact CG-CG1 4.37Å; W25-V64 HydrophobicContact CG-CG2 4.24Å; W25-V64 HydrophobicContact CZ2-CG1 4.07Å; L27-V64 HydrophobicContact CD2-CG2 4.1Å; V30-V64 HydrophobicContact CG1-CG2 4.5Å; V60-V64 HydrophobicContact CG1-CG2 4.22Å; V60-V64 WeakPolarHBondContact O-CB 3.28Å; V60-V64 VanDerWaalsContact O-CG2 3.32Å; V60-V64 WeakPolarHBondContact O-CG2 3.32Å; V60-V64 PolarHBondContact O-N 3.03Å; V64-A66 VanDerWaalsContact C-N 3.33Å; V64-A66 PolarHBondContact O-N 3Å; V64-A67 WeakPolarHBondContact O-CB 3.28Å; V64-A67 PolarHBondContact O-N 2.73Å; V64-E68 HydrophobicContact CG1-CG 4.49Å; V64-E68 WeakPolarHBondContact O-CG 3.25Å; V64-E68 PolarHBondContact O-N 3.08Å
65V97Very high96.3Very high56 Ų5659.4 Ų59.434%0.33932%0.321SS..Hα-helixtrans-60.7-43.6175.4168.10000111.1R61 K62 A67 E68 D69R61-V65 WeakPolarHBondContact O-CB 3.16Å; R61-V65 VanDerWaalsContact O-CG2 3.25Å; R61-V65 WeakPolarHBondContact O-CG2 3.47Å; R61-V65 PolarHBondContact O-N 3.37Å; K62-V65 PolarHBondContact O-N 2.8Å; V65-A67 VanDerWaalsContact C-N 3.31Å; V65-A67 PolarHBondContact O-N 3.01Å; V65-E68 PolarHBondContact O-N 2.98Å; V65-D69 WeakPolarHBondContact O-CB 3.47Å; V65-D69 PolarHBondContact O-N 3.11Å
66A97Very high96.5Very high36 Ų3656 Ų5630%0.29830%0.301SS..Hα-helixtrans-62.3-38.1175.700000112.5F34 K62 A63 V64 D69 S70F34-A66 HydrophobicContact CB-CB 3.91Å; F34-A66 HydrophobicContact CD1-CB 3.89Å; F34-A66 HydrophobicContact CG-CB 4.01Å; K62-A66 PolarHBondContact O-N 2.83Å; A63-A66 PolarHBondContact O-N 2.81Å; V64-A66 VanDerWaalsContact C-N 3.33Å; V64-A66 PolarHBondContact O-N 3Å; A66-D69 PolarHBondContact O-N 2.64Å; A66-S70 PolarHBondContact O-N 3.39Å; A66-S70 VanDerWaalsContact O-N 3.09Å
67A97.1Very high96.6Very high0 Ų057.8 Ų57.80%031%0.309CS..Hα-helixtrans-65.5-40.8174.200000112.4W25 V30 F34 A63 V64 V65 S70 Y76W25-A67 HydrophobicContact CZ3-CB 4.02Å; V30-A67 HydrophobicContact CG1-CB 4.29Å; V30-A67 HydrophobicContact CG2-CB 4.42Å; F34-A67 HydrophobicContact CD2-CB 3.72Å; F34-A67 VanDerWaalsContact CE2-CA 3.48Å; F34-A67 HydrophobicContact CE2-CB 3.51Å; F34-A67 HydrophobicContact CZ-CB 4.3Å; A63-A67 PolarHBondContact O-N 3.38Å; V64-A67 WeakPolarHBondContact O-CB 3.28Å; V64-A67 PolarHBondContact O-N 2.73Å; V65-A67 VanDerWaalsContact C-N 3.31Å; V65-A67 PolarHBondContact O-N 3.01Å; A67-S70 WeakPolarHBondContact O-CB 3.35Å; A67-S70 PolarHBondContact O-N 3.09Å; A67-S70 PolarHBondContact O-OG 2.71Å; A67-Y76 HydrophobicContact CB-CD2 4.19Å
68E96.3Very high96.7Very high101 Ų10156.7 Ų56.747%0.47230%0.304SS..Hα-helixtrans-61.6-47.2174-72.1176.9159.500111.5W25 V64 V65 S70W25-E68 HydrophobicContact CH2-CG 3.64Å; W25-E68 HydrophobicContact CZ2-CG 3.59Å; V64-E68 HydrophobicContact CG1-CG 4.49Å; V64-E68 WeakPolarHBondContact O-CG 3.25Å; V64-E68 PolarHBondContact O-N 3.08Å; V65-E68 PolarHBondContact O-N 2.98Å; E68-S70 PolarHBondContact O-N 2.94Å
69D97.1Very high96.8Very high135 Ų13555.7 Ų55.772%0.72230%0.304SS*.Hα-helixtrans-70.8-15-178.9-72.3-21.6000113.6V65 A66 G71V65-D69 WeakPolarHBondContact O-CB 3.47Å; V65-D69 PolarHBondContact O-N 3.11Å; A66-D69 PolarHBondContact O-N 2.64Å; D69-G71 PolarHBondContact O-N 3.19Å
70S96.1Very high96.9Very high46 Ų4656 Ų5632%0.32231%0.305SS..THydrogen-bonded Turntrans-69.4-16.3179.977.30000114.2A66 A67 E68 K72A66-S70 PolarHBondContact O-N 3.39Å; A66-S70 VanDerWaalsContact O-N 3.09Å; A67-S70 WeakPolarHBondContact O-CB 3.35Å; A67-S70 PolarHBondContact O-N 3.09Å; A67-S70 PolarHBondContact O-OG 2.71Å; E68-S70 PolarHBondContact O-N 2.94Å; S70-K72 PolarHBondContact O-N 3.09Å; S70-K72 PolarHBondContact OG-N 3.37Å; S70-K72 VanDerWaalsContact OG-N 3.08Å
71G94.4Very high96.9Very high73 Ų7363 Ų6375%0.75334%0.342SS*.THydrogen-bonded Turntrans746.9-170.600000114.4D69D69-G71 PolarHBondContact O-N 3.19Å
72K94.4Very high97Very high126 Ų12662.4 Ų62.455%0.54835%0.348SS..  trans-122.524.8179.4-61-175.6-176.5178.40113.1S70 E74 D75 Y76S70-K72 PolarHBondContact O-N 3.09Å; S70-K72 PolarHBondContact OG-N 3.37Å; S70-K72 VanDerWaalsContact OG-N 3.08Å; K72-E74 PolarHBondContact O-N 3.04Å; K72-E74 VanDerWaalsContact O-N 3.08Å; K72-D75 WeakPolarHBondContact O-CB 3.41Å; K72-D75 PolarHBondContact O-N 3.09Å; K72-Y76 HydrophobicContact CB-CE2 4.27Å; K72-Y76 VanDerWaalsContact O-CD2 3.3Å; K72-Y76 WeakPolarHBondContact O-CD2 3.36Å; K72-Y76 WeakPolarHBondContact O-CE2 3.49Å
73A96.2Very high97Very high20 Ų2060.2 Ų60.217%0.16534%0.339CS..G310 helixtrans-45.1-44.4-178.200000113.8W25 D75 Y76W25-A73 HydrophobicContact CH2-CB 3.72Å; W25-A73 HydrophobicContact CZ3-CB 4.32Å; W25-A73 VanDerWaalsContact CZ3-O 3.31Å; W25-A73 WeakPolarHBondContact CZ3-O 3.33Å; A73-D75 PolarHBondContact O-N 3.11Å; A73-Y76 PolarHBondContact O-N 3.14Å; A73-Y76 VanDerWaalsContact O-N 3.11Å
74E96.9Very high97.1Very high127 Ų12765.4 Ų65.459%0.59336%0.363SS*.G310 helixtrans-64.2-24.4-177.2-60.3-56.4124.100113.5K72 Y76 K77K72-E74 PolarHBondContact O-N 3.04Å; K72-E74 VanDerWaalsContact O-N 3.08Å; E74-Y76 PolarHBondContact O-N 2.73Å; E74-K77 PolarHBondContact O-N 2.94Å; E74-K77 WeakPolarHBondContact OE1-CE 3.27Å; E74-K77 IonicContact OE1-NZ 2.73Å; E74-K77 PolarHBondContact OE1-NZ 2.87Å
75D97Very high97.2Very high122 Ų12265.4 Ų65.465%0.65236%0.361SS*.G310 helixtrans-68.6-17.5177.2-65.1-17.1000112.3K72 A73K72-D75 WeakPolarHBondContact O-CB 3.41Å; K72-D75 PolarHBondContact O-N 3.09Å; A73-D75 PolarHBondContact O-N 3.11Å
76Y97.8Very high97.2Very high21 Ų2164.5 Ų64.58%0.08236%0.355CS..G310 helixtrans-108.7-0.1-178.1-55.4-82.4000113.4W25 D26 Q29 V30 D33 F34 A67 K72 A73 E74W25-Y76 WeakPolarHBondContact CA-O 2.96Å; D26-Y76 PolarHBondContact N-O 2.77Å; Q29-Y76 HydrophobicContact CB-CD1 3.91Å; Q29-Y76 HydrophobicContact CB-CE1 4.35Å; V30-Y76 HydrophobicContact CG2-CD1 3.94Å; V30-Y76 HydrophobicContact CG2-CG 3.99Å; D33-Y76 HydrophobicContact CB-CE1 4.26Å; D33-Y76 VanDerWaalsContact OD2-CE1 3.25Å; D33-Y76 WeakPolarHBondContact OD2-CE1 3.39Å; D33-Y76 PolarHBondContact OD2-OH 2.81Å; F34-Y76 HydrophobicContact CE2-CD2 4.29Å; F34-Y76 AromaticContact CE2-CE1 3.88Å; F34-Y76 HydrophobicContact CE2-CE1 3.88Å; F34-Y76 AromaticContact CE2-CE2 3.61Å; F34-Y76 HydrophobicContact CE2-CE2 3.61Å; F34-Y76 AromaticContact CE2-CZ 3.38Å; F34-Y76 WeakPolarHBondContact CE2-OH 3.36Å; F34-Y76 AromaticContact CZ-CE2 3.99Å; F34-Y76 HydrophobicContact CZ-CE2 3.99Å; F34-Y76 AromaticContact CZ-CZ 3.88Å; A67-Y76 HydrophobicContact CB-CD2 4.19Å; K72-Y76 HydrophobicContact CB-CE2 4.27Å; K72-Y76 VanDerWaalsContact O-CD2 3.3Å; K72-Y76 WeakPolarHBondContact O-CD2 3.36Å; K72-Y76 WeakPolarHBondContact O-CE2 3.49Å; A73-Y76 PolarHBondContact O-N 3.14Å; A73-Y76 VanDerWaalsContact O-N 3.11Å; E74-Y76 PolarHBondContact O-N 2.73Å
77K98.3Very high97.3Very high36 Ų3663.9 Ų63.916%0.15735%0.347CS..EExtended strand (participates in β ladder)trans-100.1139.8176.8-66.1179.7-175.7177.20110V18 E21 V24 W25 E74V18-K77 HydrophobicContact CG1-CD 4.43Å; V18-K77 HydrophobicContact CG2-CD 4.12Å; V18-K77 HydrophobicContact CG2-CG 3.98Å; E21-K77 IonicContact OE1-NZ 3.07Å; E21-K77 PolarHBondContact OE1-NZ 2.9Å; E21-K77 IonicContact OE2-NZ 3.38Å; E21-K77 PolarHBondContact OE2-NZ 3.42Å; V24-K77 CarbonylContact O-C 3.58Å; V24-K77 VanDerWaalsContact O-CA 3.32Å; V24-K77 WeakPolarHBondContact O-CA 3.28Å; W25-K77 HydrophobicContact CD2-CG 4.14Å; W25-K77 HydrophobicContact CE3-CG 3.96Å; W25-K77 HydrophobicContact CH2-CG 4.28Å; W25-K77 HydrophobicContact CZ2-CG 4.4Å; W25-K77 HydrophobicContact CZ3-CG 4.05Å; E74-K77 PolarHBondContact O-N 2.94Å; E74-K77 WeakPolarHBondContact OE1-CE 3.27Å; E74-K77 IonicContact OE1-NZ 2.73Å; E74-K77 PolarHBondContact OE1-NZ 2.87Å
78I98.4Very high97.3Very high13 Ų1363.9 Ų63.97%0.06735%0.348CS..EExtended strand (participates in β ladder)trans-124130.7173.8-52.6166.6000108.2F6 Y8 A23 V24 D26 D82 I83F6-I78 HydrophobicContact CE2-CD1 3.69Å; F6-I78 HydrophobicContact CZ-CD1 3.99Å; Y8-I78 HydrophobicContact CD1-CD1 3.5Å; Y8-I78 VanDerWaalsContact CD1-CD1 3.5Å; Y8-I78 HydrophobicContact CD1-CG1 4.24Å; Y8-I78 HydrophobicContact CD1-CG2 4.33Å; Y8-I78 HydrophobicContact CD2-CG2 3.71Å; Y8-I78 HydrophobicContact CE1-CD1 3.94Å; Y8-I78 HydrophobicContact CE1-CG1 4.21Å; Y8-I78 HydrophobicContact CE1-CG2 4.35Å; Y8-I78 HydrophobicContact CE2-CG2 3.78Å; Y8-I78 HydrophobicContact CG-CD1 3.9Å; Y8-I78 HydrophobicContact CG-CG2 4.01Å; A23-I78 CarbonylContact C-O 3.4Å; A23-I78 WeakPolarHBondContact CA-O 3.43Å; A23-I78 WeakPolarHBondContact CB-O 3.37Å; V24-I78 HydrophobicContact CG1-CB 4.05Å; V24-I78 PolarHBondContact N-O 2.59Å; V24-I78 PolarHBondContact O-N 2.75Å; D26-I78 HydrophobicContact CB-CD1 3.81Å; D26-I78 HydrophobicContact CB-CG1 4.45Å; I78-D82 HydrophobicContact CG2-CB 4.2Å; I78-I83 HydrophobicContact CB-CG2 4.25Å; I78-I83 HydrophobicContact CG2-CG2 3.44Å; I78-I83 VanDerWaalsContact CG2-CG2 3.44Å
79S98.2Very high97.4Very high43 Ų4359.3 Ų59.330%0.30133%0.327SS..EExtended strand (participates in β ladder)trans-65.6144.8177-173.60000110.8N81 D82S79-N81 PolarHBondContact O-N 3.28Å; S79-N81 PolarHBondContact OG-N 3.14Å; S79-D82 WeakPolarHBondContact CB-OD2 3.47Å; S79-D82 PolarHBondContact O-N 3.43Å
80F98Very high97.4Very high25 Ų2556.9 Ų56.911%0.1132%0.316CS..G310 helixtrans-61.6-22.1173-72-4.6000113.8L4 K17 D22 A23 V24 D82 I83 F85 Y205L4-F80 HydrophobicContact CD1-CE1 4.03Å; L4-F80 HydrophobicContact CD1-CZ 4.4Å; K17-F80 HydrophobicContact CB-CZ 4.41Å; K17-F80 HydrophobicContact CD-CE2 4.48Å; K17-F80 HydrophobicContact CD-CZ 4.25Å; K17-F80 HydrophobicContact CG-CE2 4.45Å; K17-F80 HydrophobicContact CG-CZ 3.82Å; D22-F80 HydrophobicContact CB-CB 4.43Å; D22-F80 HydrophobicContact CB-CD2 3.7Å; D22-F80 HydrophobicContact CB-CE2 4.28Å; D22-F80 HydrophobicContact CB-CG 4.21Å; D22-F80 WeakPolarHBondContact O-CG 3.49Å; D22-F80 PolarHBondContact O-N 2.94Å; A23-F80 VanDerWaalsContact O-CE1 3.32Å; A23-F80 WeakPolarHBondContact O-CE1 3.16Å; V24-F80 HydrophobicContact CB-CE1 4.01Å; F80-D82 PolarHBondContact O-N 3.02Å; F80-I83 HydrophobicContact CD1-CD1 3.77Å; F80-I83 HydrophobicContact CE1-CD1 4.34Å; F80-F85 HydrophobicContact CB-CE2 4.35Å; F80-F85 HydrophobicContact CB-CZ 4.33Å; F80-F85 HydrophobicContact CD1-CZ 4.05Å; F80-F85 AromaticContact CD2-CZ 3.92Å; F80-F85 HydrophobicContact CD2-CZ 3.92Å; F80-F85 HydrophobicContact CE1-CZ 4.24Å; F80-F85 HydrophobicContact CE2-CZ 4.12Å; F80-F85 HydrophobicContact CG-CE2 4.37Å; F80-F85 AromaticContact CG-CZ 3.86Å; F80-F85 HydrophobicContact CG-CZ 3.86Å; F80-F85 HydrophobicContact CZ-CZ 4.25Å; F80-Y205 VanDerWaalsContact CE2-OH 3.24Å; F80-Y205 WeakPolarHBondContact CE2-OH 3.13Å; F80-Y205 HydrophobicContact CZ-CE1 4.12Å
81N97.7Very high97.4Very high147 Ų14755 Ų5579%0.78630%0.304SS*.G310 helixtrans-73.2-16.3175.7-64-43.8000113.1S79S79-N81 PolarHBondContact O-N 3.28Å; S79-N81 PolarHBondContact OG-N 3.14Å
82D98Very high97.5Very high100 Ų10054.4 Ų54.454%0.53529%0.286SS..G310 helixtrans-102.9-2.7-175.9-58.4-41.1000112.5Y8 I78 S79 F80Y8-D82 HydrophobicContact CD2-CB 4.31Å; Y8-D82 WeakPolarHBondContact CD2-O 3.37Å; Y8-D82 HydrophobicContact CE2-CB 3.97Å; I78-D82 HydrophobicContact CG2-CB 4.2Å; S79-D82 WeakPolarHBondContact CB-OD2 3.47Å; S79-D82 PolarHBondContact O-N 3.43Å; F80-D82 PolarHBondContact O-N 3.02Å
83I98.3Very high97.6Very high19 Ų1950.7 Ų50.710%0.09727%0.272CS..  trans-115.1153.3-17772.6-176.1000112.1L4 F6 K7 Y8 V24 I78 F80 F85L4-I83 HydrophobicContact CD1-CD1 4.24Å; F6-I83 HydrophobicContact CB-CB 4.09Å; F6-I83 HydrophobicContact CB-CD1 3.9Å; F6-I83 HydrophobicContact CB-CG1 4.3Å; F6-I83 HydrophobicContact CD2-CB 4.04Å; F6-I83 HydrophobicContact CD2-CD1 4.47Å; F6-I83 HydrophobicContact CD2-CG2 3.7Å; F6-I83 HydrophobicContact CE2-CG2 4.18Å; F6-I83 HydrophobicContact CG-CB 4.34Å; F6-I83 HydrophobicContact CG-CD1 4.09Å; F6-I83 HydrophobicContact CG-CG2 4.33Å; K7-I83 WeakPolarHBondContact O-CA 3.37Å; Y8-I83 HydrophobicContact CD2-CG2 4.36Å; V24-I83 HydrophobicContact CG1-CD1 4.08Å; I78-I83 HydrophobicContact CB-CG2 4.25Å; I78-I83 HydrophobicContact CG2-CG2 3.44Å; I78-I83 VanDerWaalsContact CG2-CG2 3.44Å; F80-I83 HydrophobicContact CD1-CD1 3.77Å; F80-I83 HydrophobicContact CE1-CD1 4.34Å; I83-F85 HydrophobicContact CD1-CE1 4.46Å; I83-F85 HydrophobicContact CD1-CE2 4.14Å; I83-F85 HydrophobicContact CD1-CZ 4.11Å; I83-F85 HydrophobicContact CG1-CD2 4.35Å; I83-F85 HydrophobicContact CG1-CE2 4.15Å
84E98.3Very high97.7Very high110 Ų11052.6 Ų52.651%0.51428%0.28SS..EExtended strand (participates in β ladder)trans-98.6123162.4-179.8-170.7168.900108.2F6 K7F6-E84 CarbonylContact C-O 3.58Å; F6-E84 WeakPolarHBondContact CA-O 3.36Å; F6-E84 WeakPolarHBondContact CB-O 3.3Å; K7-E84 HydrophobicContact CB-CB 4.06Å; K7-E84 WeakPolarHBondContact CD-OE2 3.28Å; K7-E84 PolarHBondContact N-O 2.71Å; K7-E84 PolarHBondContact O-N 3.39Å
85F98.4Very high97.7Very high17 Ų1746.6 Ų46.68%0.07525%0.251CS..EExtended strand (participates in β ladder)trans-70.8134.5175.6-74.7-99.1000110.3L4 F80 I83 D129 P204L4-F85 HydrophobicContact CD1-CD1 4Å; L4-F85 HydrophobicContact CD1-CE1 3.49Å; L4-F85 VanDerWaalsContact CD1-CE1 3.49Å; L4-F85 HydrophobicContact CD1-CZ 4.3Å; F80-F85 HydrophobicContact CB-CE2 4.35Å; F80-F85 HydrophobicContact CB-CZ 4.33Å; F80-F85 HydrophobicContact CD1-CZ 4.05Å; F80-F85 AromaticContact CD2-CZ 3.92Å; F80-F85 HydrophobicContact CD2-CZ 3.92Å; F80-F85 HydrophobicContact CE1-CZ 4.24Å; F80-F85 HydrophobicContact CE2-CZ 4.12Å; F80-F85 HydrophobicContact CG-CE2 4.37Å; F80-F85 AromaticContact CG-CZ 3.86Å; F80-F85 HydrophobicContact CG-CZ 3.86Å; F80-F85 HydrophobicContact CZ-CZ 4.25Å; I83-F85 HydrophobicContact CD1-CE1 4.46Å; I83-F85 HydrophobicContact CD1-CE2 4.14Å; I83-F85 HydrophobicContact CD1-CZ 4.11Å; I83-F85 HydrophobicContact CG1-CD2 4.35Å; I83-F85 HydrophobicContact CG1-CE2 4.15Å; F85-D129 HydrophobicContact CB-CB 3.8Å; F85-D129 WeakPolarHBondContact CB-O 3.5Å; F85-D129 HydrophobicContact CD1-CB 4.17Å; F85-D129 HydrophobicContact CD2-CB 4.43Å; F85-D129 HydrophobicContact CG-CB 3.9Å; F85-P204 HydrophobicContact CD1-CB 3.9Å; F85-P204 HydrophobicContact CE1-CB 3.86Å
86L98.5Very high97.8Very high38 Ų3841.2 Ų41.220%0.19922%0.223CC..EExtended strand (participates in β ladder)trans-107.3164.6173.4-62.5176.7000109.3S5 K7 T12S5-L86 PolarHBondContact O-N 2.82Å; K7-L86 HydrophobicContact CB-CD1 4.46Å; T12-L86 HydrophobicContact CG2-CD1 3.75Å
87P98.1Very high97.8Very high22 Ų2240.2 Ų40.214%0.14322%0.219CC..  trans-48.5130.9161.5-22.431.1000108.8V89 L126 M202P87-V89 PolarHBondContact O-N 2.84Å; P87-V89 VanDerWaalsContact O-N 3.11Å; P87-L126 HydrophobicContact CB-CB 4.22Å; P87-L126 HydrophobicContact CG-CB 3.73Å; P87-M202 HydrophobicContact CB-CG 3.82Å; P87-M202 HydrophobicContact CB-SD 3.9Å
88P97.6Very high97.8Very high1 Ų138.6 Ų38.61%0.00621%0.212CC..SBendtrans-54.5-37.7-176.1-29.335.8000112.5S5 L44 I206S5-P88 WeakPolarHBondContact CB-O 3.49Å; S5-P88 PolarHBondContact OG-O 3.27Å; L44-P88 HydrophobicContact CD2-CB 4.31Å; L44-P88 WeakPolarHBondContact CD2-O 3.32Å; P88-I206 HydrophobicContact CB-CD1 3.59Å; P88-I206 HydrophobicContact CB-CG1 3.56Å; P88-I206 HydrophobicContact CG-CG1 4.15Å
89V97.1Very high97.5Very high5 Ų538.8 Ų38.83%0.0322%0.217CC..  trans-142.5153.3170.3-65.30000110.7L44 L45 L48 P87 I206 I259L44-V89 HydrophobicContact CB-CG1 4.13Å; L44-V89 HydrophobicContact CD2-CG1 3.95Å; L44-V89 HydrophobicContact CG-CG1 3.81Å; L45-V89 HydrophobicContact CB-CG1 4.42Å; L48-V89 HydrophobicContact CD1-CG1 3.83Å; P87-V89 PolarHBondContact O-N 2.84Å; P87-V89 VanDerWaalsContact O-N 3.11Å; V89-I206 HydrophobicContact CG1-CD1 4.08Å; V89-I206 HydrophobicContact CG2-CD1 4.16Å; V89-I259 HydrophobicContact CG2-CD1 3.78Å; V89-I259 HydrophobicContact CG2-CG1 4.26Å
90T96.9Very high97.1Very high83 Ų8340.1 Ų40.151%0.50922%0.216SC..  trans-90.4115.7157.6-550000107.2A123 L126T90-A123 HydrophobicContact CG2-CB 4.17Å; T90-L126 HydrophobicContact CG2-CD1 4.01Å
91P97.3Very high96.9Very high8 Ų839.2 Ų39.25%0.05221%0.212CC..  trans-62.6146-178.923.4-29.9000111.1N93 V95 G257 I259P91-N93 VanDerWaalsContact C-N 3.31Å; P91-N93 CarbonylContact C-O 3.51Å; P91-N93 VanDerWaalsContact C-O 3.26Å; P91-N93 VanDerWaalsContact CB-O 3.29Å; P91-N93 WeakPolarHBondContact CB-O 3.38Å; P91-N93 VanDerWaalsContact CG-O 3.29Å; P91-N93 WeakPolarHBondContact CG-O 3.26Å; P91-V95 HydrophobicContact CG-CG2 3.92Å; P91-G257 WeakPolarHBondContact CA-O 3.37Å; P91-G257 WeakPolarHBondContact CB-O 3.36Å; P91-I259 HydrophobicContact CB-CG1 4.41Å
92P96.6Very high96.6Very high59 Ų5932.3 Ų32.338%0.38318%0.175SC..SBendtrans-58.7-40.4171.8-26.134.3000113.1L45 H255 D258L45-P92 HydrophobicContact CD1-CG 4.14Å; P92-H255 HydrophobicContact CB-CB 4.26Å; P92-H255 HydrophobicContact CG-CB 4.15Å; P92-D258 VanDerWaalsContact CD-OD1 3.31Å; P92-D258 WeakPolarHBondContact CD-OD1 3.08Å
93N96Very high95.9Very high49 Ų4933.8 Ų33.826%0.26218%0.177SC..SBendtrans-87.3-180166.3-71.2-53.3000111.1P91 A253 D258P91-N93 VanDerWaalsContact C-N 3.31Å; P91-N93 CarbonylContact C-O 3.51Å; P91-N93 VanDerWaalsContact C-O 3.26Å; P91-N93 VanDerWaalsContact CB-O 3.29Å; P91-N93 WeakPolarHBondContact CB-O 3.38Å; P91-N93 VanDerWaalsContact CG-O 3.29Å; P91-N93 WeakPolarHBondContact CG-O 3.26Å; N93-A253 PolarHBondContact ND2-O 3.08Å; N93-A253 VanDerWaalsContact ND2-O 3.14Å; N93-D258 WeakPolarHBondContact CB-OD1 3.3Å; N93-D258 PolarHBondContact N-OD1 2.82Å; N93-D258 PolarHBondContact ND2-OD1 2.89Å; N93-D258 PolarHBondContact ND2-OD2 3.09Å
94N97.5Very high95.1Very high60 Ų6037.4 Ų37.432%0.32120%0.196SC..PPolyproline II helixtrans-65.7162.7160.6-78-12.5000110.4I96 T120 K121N94-I96 PolarHBondContact O-N 2.98Å; N94-T120 HydrophobicContact CB-CG2 4.14Å; N94-T120 PolarHBondContact ND2-OG1 2.8Å; N94-K121 WeakPolarHBondContact CB-O 3.42Å
95V98.6Very high94.1Very high0 Ų032.4 Ų32.40%017%0.173CC..EExtended strand (participates in β ladder)trans-64.3119.9166.11790000107.4P91 T120 K121 L126 I175 M202 I259 A261P91-V95 HydrophobicContact CG-CG2 3.92Å; V95-T120 CarbonylContact O-C 3.11Å; V95-T120 WeakPolarHBondContact O-CA 3.27Å; V95-T120 WeakPolarHBondContact O-CB 3.34Å; V95-K121 HydrophobicContact CB-CB 4.22Å; V95-K121 PolarHBondContact N-O 2.81Å; V95-K121 PolarHBondContact O-N 2.98Å; V95-L126 HydrophobicContact CG2-CD2 3.81Å; V95-I175 HydrophobicContact CG1-CD1 4.49Å; V95-M202 HydrophobicContact CG2-CE 3.87Å; V95-I259 HydrophobicContact CG1-CB 4.4Å; V95-I259 HydrophobicContact CG1-CG2 4.02Å; V95-I259 HydrophobicContact CG2-CB 4.37Å; V95-A261 HydrophobicContact CG1-CB 4.31Å
96I98.4Very high93.2Very high9 Ų931.6 Ų31.65%0.04617%0.169CC..EExtended strand (participates in β ladder)trans-90.1134.2177.2-55.4169.1000107N94 V118 T120 I248 V252 L254 I259 I260 A261N94-I96 PolarHBondContact O-N 2.98Å; I96-V118 HydrophobicContact CG2-CG1 3.71Å; I96-T120 HydrophobicContact CG1-CG2 4.34Å; I96-I248 HydrophobicContact CB-CD1 4.19Å; I96-I248 HydrophobicContact CD1-CG2 3.78Å; I96-I248 HydrophobicContact CG2-CD1 3.53Å; I96-I248 HydrophobicContact CG2-CG1 3.99Å; I96-V252 HydrophobicContact CD1-CG1 4.14Å; I96-L254 HydrophobicContact CD1-CD2 4.28Å; I96-I259 PolarHBondContact N-O 3.29Å; I96-I260 CarbonylContact O-C 3.5Å; I96-I260 WeakPolarHBondContact O-CA 3.21Å; I96-A261 PolarHBondContact O-N 3.29Å
97A98.2Very high92.3Very high0 Ų033.9 Ų33.90%018%0.181CC..EExtended strand (participates in β ladder)trans-136.1144.1-172.200000111.6V118 F119 A261A97-V118 WeakPolarHBondContact O-CA 3.12Å; A97-F119 HydrophobicContact CB-CD2 3.89Å; A97-F119 HydrophobicContact CB-CE1 4.09Å; A97-F119 HydrophobicContact CB-CE2 3.36Å; A97-F119 HydrophobicContact CB-CG 4.43Å; A97-F119 HydrophobicContact CB-CZ 3.47Å; A97-F119 VanDerWaalsContact CB-CZ 3.47Å; A97-F119 PolarHBondContact N-O 2.91Å; A97-F119 PolarHBondContact O-N 2.94Å; A97-A261 WeakPolarHBondContact CA-O 3.24Å; A97-A261 HydrophobicContact CB-CB 3.83Å
98F96.8Very high91.5Very high2 Ų235.4 Ų35.41%0.00919%0.187CC..EExtended strand (participates in β ladder)trans-106.5119.9174.5-72.6-96.7000110.3N101 L116 V118 L244 I248 I260 A261 G263F98-N101 HydrophobicContact CB-CB 4.32Å; F98-L116 HydrophobicContact CD1-CD1 3.81Å; F98-L116 HydrophobicContact CE1-CD1 3.6Å; F98-L116 HydrophobicContact CE1-CD2 4.41Å; F98-L116 HydrophobicContact CE1-CG 4.25Å; F98-V118 HydrophobicContact CD1-CG2 3.7Å; F98-V118 HydrophobicContact CE1-CG2 3.48Å; F98-V118 VanDerWaalsContact CE1-CG2 3.48Å; F98-V118 HydrophobicContact CG-CG2 4.44Å; F98-V118 HydrophobicContact CZ-CG2 4.1Å; F98-L244 HydrophobicContact CB-CD2 4.43Å; F98-L244 HydrophobicContact CD1-CD2 3.66Å; F98-L244 HydrophobicContact CD2-CB 4.41Å; F98-L244 HydrophobicContact CD2-CD1 4.33Å; F98-L244 HydrophobicContact CD2-CD2 3.67Å; F98-L244 HydrophobicContact CD2-CG 4.34Å; F98-L244 HydrophobicContact CE1-CD2 3.62Å; F98-L244 HydrophobicContact CE2-CB 3.71Å; F98-L244 HydrophobicContact CE2-CD1 4.43Å; F98-L244 HydrophobicContact CE2-CD2 3.58Å; F98-L244 HydrophobicContact CE2-CG 4.08Å; F98-L244 HydrophobicContact CG-CD2 3.67Å; F98-L244 HydrophobicContact CZ-CB 3.93Å; F98-L244 HydrophobicContact CZ-CD2 3.56Å; F98-L244 HydrophobicContact CZ-CG 4.31Å; F98-I248 HydrophobicContact CD2-CD1 4.39Å; F98-I248 HydrophobicContact CE2-CD1 3.31Å; F98-I248 HydrophobicContact CE2-CG1 3.83Å; F98-I248 HydrophobicContact CZ-CD1 3.73Å; F98-I248 HydrophobicContact CZ-CG1 3.68Å; F98-I260 HydrophobicContact CD2-CG2 3.95Å; F98-I260 HydrophobicContact CE2-CG2 3.79Å; F98-A261 PolarHBondContact N-O 3.3Å; F98-G263 WeakPolarHBondContact O-CA 3.47Å; F98-G263 PolarHBondContact O-N 3.48Å
99G92.7Very high90.6Very high18 Ų1836.9 Ų36.919%0.18620%0.195CC..EExtended strand (participates in β ladder)trans-87.8157.716700000111.2N101 Y117G99-N101 PolarHBondContact O-N 2.87Å; G99-Y117 PolarHBondContact N-O 2.97Å
100R90.1Very high89.6Confident70 Ų7044 Ų4426%0.26423%0.232SC..SBendtrans6126.1174.4-49.5172.5-177.1-177.93.5114.1Y102 A106 H111 E112 I238R100-Y102 VanDerWaalsContact C-N 3.26Å; R100-Y102 PolarHBondContact O-N 3.28Å; R100-A106 HydrophobicContact CB-CB 4.21Å; R100-H111 HydrophobicContact CG-CB 4.31Å; R100-H111 PolarHBondContact NH2-ND1 3.44Å; R100-E112 PolarHBondContact NH1-O 2.85Å; R100-I238 WeakPolarHBondContact O-CD1 3.47Å
101N94.4Very high88.5Confident6 Ų642.9 Ų42.93%0.03222%0.221CC..  trans-854.7178.6-163.435.7000113.7F98 G99 M237 I238 L239 T262F98-N101 HydrophobicContact CB-CB 4.32Å; G99-N101 PolarHBondContact O-N 2.87Å; N101-M237 CarbonylContact O-C 3.59Å; N101-M237 VanDerWaalsContact O-CA 3.26Å; N101-M237 WeakPolarHBondContact O-CA 3.39Å; N101-I238 PolarHBondContact O-N 3Å; N101-L239 PolarHBondContact ND2-O 2.56Å; N101-L239 WeakPolarHBondContact OD1-CB 3.31Å; N101-L239 PolarHBondContact OD1-N 2.77Å; N101-T262 WeakPolarHBondContact CB-O 3.13Å; N101-T262 PolarHBondContact ND2-O 3.23Å
102Y91.8Very high86.9Confident2 Ų249.1 Ų49.11%0.00825%0.249CC..BIsolated β-bridgetrans-119.7129.4170.4-76.2-111.7000108.5R100 D104 H105 A106 N233 T234 E236 M237 G263 T264 P265R100-Y102 VanDerWaalsContact C-N 3.26Å; R100-Y102 PolarHBondContact O-N 3.28Å; Y102-D104 VanDerWaalsContact C-N 3.34Å; Y102-D104 PolarHBondContact O-N 3.25Å; Y102-H105 PolarHBondContact O-N 3.23Å; Y102-A106 PolarHBondContact O-N 3.09Å; Y102-N233 WeakPolarHBondContact CE1-O 3.33Å; Y102-T234 WeakPolarHBondContact OH-CA 3.35Å; Y102-E236 HydrophobicContact CD1-CB 3.79Å; Y102-E236 HydrophobicContact CE1-CB 4.08Å; Y102-M237 HydrophobicContact CD2-CG 4.28Å; Y102-M237 HydrophobicContact CE1-CG 4.19Å; Y102-M237 HydrophobicContact CE2-CG 3.5Å; Y102-M237 HydrophobicContact CE2-SD 4.45Å; Y102-M237 VanDerWaalsContact CZ-CG 3.46Å; Y102-M237 WeakPolarHBondContact OH-CG 3.33Å; Y102-G263 VanDerWaalsContact CE2-O 3.27Å; Y102-G263 WeakPolarHBondContact CE2-O 3.41Å; Y102-T264 WeakPolarHBondContact CB-O 3.26Å; Y102-T264 VanDerWaalsContact CD2-C 3.48Å; Y102-T264 VanDerWaalsContact CD2-O 3.23Å; Y102-T264 WeakPolarHBondContact CD2-O 3.46Å; Y102-T264 VanDerWaalsContact CG-O 3.32Å; Y102-P265 HydrophobicContact CD1-CB 4.01Å; Y102-P265 HydrophobicContact CE1-CB 4.12Å
103K81.9Confident85.3Confident132 Ų13249 Ų4957%0.57425%0.248SC*.Hα-helixtrans-60.3-45.1-174.9-174.3177.4179.2-178.60112.1A106 N107 I238K103-A106 PolarHBondContact O-N 3.4Å; K103-N107 VanDerWaalsContact O-CG 3.25Å; K103-N107 PolarHBondContact O-N 2.93Å; K103-N107 PolarHBondContact O-ND2 3.41Å; K103-N107 VanDerWaalsContact O-ND2 3.14Å; K103-I238 HydrophobicContact CB-CD1 4.24Å; K103-I238 HydrophobicContact CB-CG1 4.25Å
104D82.6Confident83.5Confident94 Ų9455.1 Ų55.150%0.50328%0.275SS..Hα-helixtrans-70.4-36.6-176.2-70.4-6000111.8Y102 N107 E108 A266Y102-D104 VanDerWaalsContact C-N 3.34Å; Y102-D104 PolarHBondContact O-N 3.25Å; D104-N107 PolarHBondContact O-N 3.27Å; D104-E108 WeakPolarHBondContact O-CB 3.23Å; D104-E108 PolarHBondContact O-N 3.4Å; D104-A266 HydrophobicContact CB-CB 4.21Å
105H76.8Confident82.1Confident6 Ų659.7 Ų59.73%0.02829%0.292CS..Hα-helixtrans-66-41.5173.8178.753.5000112.5Y102 N107 E108 L109 T264 A266Y102-H105 PolarHBondContact O-N 3.23Å; H105-N107 VanDerWaalsContact C-N 3.31Å; H105-N107 PolarHBondContact O-N 3.14Å; H105-E108 IonicContact ND1-OE2 3.97Å; H105-E108 PolarHBondContact ND1-OE2 2.83Å; H105-E108 WeakPolarHBondContact O-CB 3.37Å; H105-E108 PolarHBondContact O-N 3.02Å; H105-L109 PolarHBondContact O-N 3.23Å; H105-T264 WeakPolarHBondContact CB-O 3.34Å; H105-A266 HydrophobicContact CB-CB 4.44Å
106A78.4Confident81.3Confident0 Ų063.6 Ų63.60%031%0.312CS..Hα-helixtrans-62.5-40.417600000111.7R100 Y102 K103 N110 H111 V113R100-A106 HydrophobicContact CB-CB 4.21Å; Y102-A106 PolarHBondContact O-N 3.09Å; K103-A106 PolarHBondContact O-N 3.4Å; A106-N110 PolarHBondContact O-N 2.85Å; A106-H111 PolarHBondContact O-N 2.87Å; A106-V113 HydrophobicContact CB-CG2 3.51Å
107N80.3Confident81Confident85 Ų8566.1 Ų66.146%0.45532%0.322SS..Hα-helixtrans-67.4-40.4175.2-66.4-30.5000112.3K103 D104 H105 L109 N110K103-N107 VanDerWaalsContact O-CG 3.25Å; K103-N107 PolarHBondContact O-N 2.93Å; K103-N107 PolarHBondContact O-ND2 3.41Å; K103-N107 VanDerWaalsContact O-ND2 3.14Å; D104-N107 PolarHBondContact O-N 3.27Å; H105-N107 VanDerWaalsContact C-N 3.31Å; H105-N107 PolarHBondContact O-N 3.14Å; N107-L109 PolarHBondContact O-N 3.07Å; N107-N110 PolarHBondContact O-N 2.77Å
108E81.2Confident80.9Confident55 Ų5569.2 Ų69.226%0.25734%0.34SS..Hα-helixtrans-54.4-39.3178.6175.7-179.2-133.100112.1D104 H105 A266 G267D104-E108 WeakPolarHBondContact O-CB 3.23Å; D104-E108 PolarHBondContact O-N 3.4Å; H105-E108 IonicContact ND1-OE2 3.97Å; H105-E108 PolarHBondContact ND1-OE2 2.83Å; H105-E108 WeakPolarHBondContact O-CB 3.37Å; H105-E108 PolarHBondContact O-N 3.02Å; E108-A266 VanDerWaalsContact OE2-CA 3.3Å; E108-A266 WeakPolarHBondContact OE2-CA 3.16Å; E108-G267 VanDerWaalsContact CD-N 3.32Å; E108-G267 WeakPolarHBondContact OE1-CA 3.29Å; E108-G267 PolarHBondContact OE1-N 2.86Å; E108-G267 PolarHBondContact OE2-N 3.49Å
109L79.2Confident80.9Confident32 Ų3269.8 Ų69.817%0.16834%0.343CS..THydrogen-bonded Turntrans-98.112.8178.8-60.6-176.2000114H105 N107 H111 V268 A270H105-L109 PolarHBondContact O-N 3.23Å; N107-L109 PolarHBondContact O-N 3.07Å; L109-H111 VanDerWaalsContact CB-CD2 3.44Å; L109-H111 WeakPolarHBondContact CB-CD2 3.26Å; L109-H111 PolarHBondContact O-N 3.3Å; L109-V268 HydrophobicContact CD1-CG2 4.29Å; L109-V268 HydrophobicContact CD2-CG2 4.2Å; L109-V268 HydrophobicContact CG-CG2 4.47Å; L109-A270 HydrophobicContact CD2-CB 3.91Å
110N76.6Confident81.1Confident153 Ų15371 Ų7182%0.81835%0.347SS*.THydrogen-bonded Turntrans52.137.2-176.8-60.2-67.7000113.7A106 N107A106-N110 PolarHBondContact O-N 2.85Å; N107-N110 PolarHBondContact O-N 2.77Å
111H73.2Confident81.5Confident61 Ų6167.7 Ų67.728%0.28234%0.335SS..  trans-91.1139.4178.3-70.5-38.7000111.9R100 A106 L109 V113R100-H111 HydrophobicContact CG-CB 4.31Å; R100-H111 PolarHBondContact NH2-ND1 3.44Å; A106-H111 PolarHBondContact O-N 2.87Å; L109-H111 VanDerWaalsContact CB-CD2 3.44Å; L109-H111 WeakPolarHBondContact CB-CD2 3.26Å; L109-H111 PolarHBondContact O-N 3.3Å; H111-V113 PolarHBondContact O-N 2.92Å
112E64.4Low81.7Confident138 Ų13868 Ų6865%0.64534%0.338SS*.  trans-67.6125.1167.3-69-178.617200109.9R100 E114R100-E112 PolarHBondContact NH1-O 2.85Å; E112-E114 VanDerWaalsContact C-N 3.26Å
113V62.1Low81.9Confident58 Ų5869.9 Ų69.935%0.35235%0.354SS..THydrogen-bonded Turntrans-76-15.1177.7-176.80000111.9A106 H111 K115 I238A106-V113 HydrophobicContact CB-CG2 3.51Å; H111-V113 PolarHBondContact O-N 2.92Å; V113-K115 VanDerWaalsContact C-N 3.26Å; V113-K115 PolarHBondContact O-N 3.35Å; V113-K115 VanDerWaalsContact O-N 3.17Å; V113-I238 HydrophobicContact CG1-CD1 3.45Å; V113-I238 VanDerWaalsContact CG1-CD1 3.45Å
114E57.4Low82.5Confident177 Ų17767.7 Ų67.783%0.82736%0.355SS*.THydrogen-bonded Turntrans-67.7-20.4-167.3-65.5-169.5169.300114.8E112E112-E114 VanDerWaalsContact C-N 3.26Å
115K69.7Low83.3Confident155 Ų15563.2 Ų63.267%0.67433%0.331SS*.SBendtrans-111.8124.6-177.6-67-177.7-174.9170.90111.4V113 Y117V113-K115 VanDerWaalsContact C-N 3.26Å; V113-K115 PolarHBondContact O-N 3.35Å; V113-K115 VanDerWaalsContact O-N 3.17Å; K115-Y117 PolarHBondContact O-N 2.88Å
116L82.1Confident84.3Confident83 Ų8364 Ų6444%0.43534%0.335SS..  trans-53123.8169.1-168.271.8000110.2F98 V118 L239 E247F98-L116 HydrophobicContact CD1-CD1 3.81Å; F98-L116 HydrophobicContact CE1-CD1 3.6Å; F98-L116 HydrophobicContact CE1-CD2 4.41Å; F98-L116 HydrophobicContact CE1-CG 4.25Å; L116-V118 HydrophobicContact CD2-CG2 3.88Å; L116-V118 HydrophobicContact CG-CG2 3.89Å; L116-L239 HydrophobicContact CD1-CD1 3.44Å; L116-L239 VanDerWaalsContact CD1-CD1 3.44Å; L116-E247 HydrophobicContact CD2-CG 3.4Å
117Y90.4Very high85.3Confident61 Ų6165.4 Ų65.424%0.23934%0.344CS..EExtended strand (participates in β ladder)trans-117.995.3179-171.6-117.1000110.2G99 K115 F119 A190G99-Y117 PolarHBondContact N-O 2.97Å; K115-Y117 PolarHBondContact O-N 2.88Å; Y117-F119 AromaticContact CD1-CD1 3.99Å; Y117-F119 HydrophobicContact CD1-CD1 3.99Å; Y117-F119 HydrophobicContact CD1-CE1 4.2Å; Y117-F119 AromaticContact CE1-CD1 3.81Å; Y117-F119 HydrophobicContact CE1-CD1 3.81Å; Y117-F119 HydrophobicContact CE1-CE1 4.12Å; Y117-A190 HydrophobicContact CE1-CB 4.13Å; Y117-A190 WeakPolarHBondContact OH-CB 3.29Å
118V95.9Very high86.1Confident65 Ų6561.4 Ų61.439%0.39432%0.323SS..EExtended strand (participates in β ladder)trans-106.1135.1177.9-176.60000109.6I96 A97 F98 L116I96-V118 HydrophobicContact CG2-CG1 3.71Å; A97-V118 WeakPolarHBondContact O-CA 3.12Å; F98-V118 HydrophobicContact CD1-CG2 3.7Å; F98-V118 HydrophobicContact CE1-CG2 3.48Å; F98-V118 VanDerWaalsContact CE1-CG2 3.48Å; F98-V118 HydrophobicContact CG-CG2 4.44Å; F98-V118 HydrophobicContact CZ-CG2 4.1Å; L116-V118 HydrophobicContact CD2-CG2 3.88Å; L116-V118 HydrophobicContact CG-CG2 3.89Å
119F97.1Very high86.9Confident14 Ų1459.6 Ų59.66%0.06132%0.315CS..EExtended strand (participates in β ladder)trans-139.6-179.9172.858-86.3000109.9A97 Y117 K121 D177 A190 K194A97-F119 HydrophobicContact CB-CD2 3.89Å; A97-F119 HydrophobicContact CB-CE1 4.09Å; A97-F119 HydrophobicContact CB-CE2 3.36Å; A97-F119 HydrophobicContact CB-CG 4.43Å; A97-F119 HydrophobicContact CB-CZ 3.47Å; A97-F119 VanDerWaalsContact CB-CZ 3.47Å; A97-F119 PolarHBondContact N-O 2.91Å; A97-F119 PolarHBondContact O-N 2.94Å; Y117-F119 AromaticContact CD1-CD1 3.99Å; Y117-F119 HydrophobicContact CD1-CD1 3.99Å; Y117-F119 HydrophobicContact CD1-CE1 4.2Å; Y117-F119 AromaticContact CE1-CD1 3.81Å; Y117-F119 HydrophobicContact CE1-CD1 3.81Å; Y117-F119 HydrophobicContact CE1-CE1 4.12Å; F119-K121 HydrophobicContact CE2-CG 4.21Å; F119-D177 WeakPolarHBondContact CZ-OD2 3.19Å; F119-A190 HydrophobicContact CB-CB 3.6Å; F119-A190 HydrophobicContact CD1-CB 3.96Å; F119-A190 HydrophobicContact CD2-CB 4.05Å; F119-A190 HydrophobicContact CG-CB 3.6Å; F119-K194 HydrophobicContact CD2-CB 3.93Å; F119-K194 HydrophobicContact CD2-CD 4.26Å; F119-K194 HydrophobicContact CD2-CG 3.72Å; F119-K194 HydrophobicContact CE2-CB 3.89Å; F119-K194 HydrophobicContact CE2-CD 3.52Å; F119-K194 HydrophobicContact CE2-CG 3.52Å; F119-K194 HydrophobicContact CZ-CD 3.88Å; F119-K194 HydrophobicContact CZ-CG 4.2Å
120T98Very high87.8Confident45 Ų4561.6 Ų61.628%0.27633%0.326SS..EExtended strand (participates in β ladder)trans-128.1153.5173.166.40000111.3N94 V95 I96 F191N94-T120 HydrophobicContact CB-CG2 4.14Å; N94-T120 PolarHBondContact ND2-OG1 2.8Å; V95-T120 CarbonylContact O-C 3.11Å; V95-T120 WeakPolarHBondContact O-CA 3.27Å; V95-T120 WeakPolarHBondContact O-CB 3.34Å; I96-T120 HydrophobicContact CG1-CG2 4.34Å; T120-F191 WeakPolarHBondContact O-CD2 3.29Å
121K98.4Very high88.8Confident0 Ų055 Ų550%029%0.293CS..EExtended strand (participates in β ladder)trans-109.3130.1170-52.3179.262.180.10108.8N94 V95 F119 D177 I178 K194 G199 C200N94-K121 WeakPolarHBondContact CB-O 3.42Å; V95-K121 HydrophobicContact CB-CB 4.22Å; V95-K121 PolarHBondContact N-O 2.81Å; V95-K121 PolarHBondContact O-N 2.98Å; F119-K121 HydrophobicContact CE2-CG 4.21Å; K121-D177 WeakPolarHBondContact CD-OD1 3.29Å; K121-D177 VanDerWaalsContact CE-OD1 3.3Å; K121-D177 WeakPolarHBondContact CE-OD1 3.46Å; K121-D177 IonicContact NZ-OD1 2.84Å; K121-D177 PolarHBondContact NZ-OD1 2.73Å; K121-I178 PolarHBondContact NZ-O 3.23Å; K121-K194 VanDerWaalsContact CE-O 3.26Å; K121-K194 WeakPolarHBondContact CE-O 3.32Å; K121-K194 HydrophobicContact CG-CB 4.16Å; K121-K194 WeakPolarHBondContact CG-O 3.34Å; K121-K194 PolarHBondContact NZ-O 3.26Å; K121-G199 WeakPolarHBondContact CE-O 3.3Å; K121-G199 PolarHBondContact NZ-O 2.95Å; K121-C200 HydrophobicContact CB-CB 4.36Å; K121-C200 HydrophobicContact CD-CB 4.13Å; K121-C200 WeakPolarHBondContact CE-SG 3.38Å
122A97.8Very high90.1Very high12 Ų1256.8 Ų56.810%0.09931%0.308CS..  trans-62145.9-17800000111.8S124 S125 F191 S195A122-S124 PolarHBondContact O-N 3.49Å; A122-S124 VanDerWaalsContact O-N 3.09Å; A122-S125 WeakPolarHBondContact O-CB 3.39Å; A122-S125 PolarHBondContact O-N 2.97Å; A122-S125 PolarHBondContact O-OG 3.24Å; A122-F191 HydrophobicContact CB-CE2 4.01Å; A122-F191 HydrophobicContact CB-CZ 4.08Å; A122-S195 PolarHBondContact N-OG 3.04Å
123A95.3Very high91.7Very high42 Ų4250.2 Ų50.235%0.34728%0.277SS..G310 helixtrans-56.3-27.6174.700000113.5T90 S125 L126T90-A123 HydrophobicContact CG2-CB 4.17Å; A123-S125 PolarHBondContact O-N 3.34Å; A123-L126 HydrophobicContact CB-CD1 4.29Å; A123-L126 WeakPolarHBondContact O-CB 3.44Å; A123-L126 WeakPolarHBondContact O-CD1 3.18Å; A123-L126 WeakPolarHBondContact O-CG 3.31Å; A123-L126 PolarHBondContact O-N 3.41Å
124S96.2Very high93.4Very high85 Ų8550 Ų5059%0.59428%0.277SS*.G310 helixtrans-69.5-13.217557.40000114.4A122 L126A122-S124 PolarHBondContact O-N 3.49Å; A122-S124 VanDerWaalsContact O-N 3.09Å; S124-L126 VanDerWaalsContact C-N 3.34Å
125S98.2Very high95.3Very high0 Ų043.3 Ų43.30%025%0.247CC..G310 helixtrans-83.5-12.4175.769.10000112.9A122 A123 L196 G198 G199 C200A122-S125 WeakPolarHBondContact O-CB 3.39Å; A122-S125 PolarHBondContact O-N 2.97Å; A122-S125 PolarHBondContact O-OG 3.24Å; A123-S125 PolarHBondContact O-N 3.34Å; S125-L196 WeakPolarHBondContact CA-O 3.49Å; S125-L196 WeakPolarHBondContact CB-O 3.45Å; S125-G198 CarbonylContact O-C 3.52Å; S125-G198 WeakPolarHBondContact O-CA 3.34Å; S125-G198 PolarHBondContact O-N 3.03Å; S125-G199 PolarHBondContact O-N 3.18Å; S125-G199 VanDerWaalsContact O-N 3.13Å; S125-C200 WeakPolarHBondContact O-CA 3.49Å; S125-C200 PolarHBondContact O-N 3.34Å; S125-C200 WeakPolarHBondContact OG-CB 3.38Å
126L98.5Very high96.7Very high23 Ų2336.8 Ų36.812%0.1222%0.219CC..EExtended strand (participates in β ladder)trans-65.6137.4-176-61.7172.5000111.9P87 T90 V95 A123 S124 C200 M202P87-L126 HydrophobicContact CB-CB 4.22Å; P87-L126 HydrophobicContact CG-CB 3.73Å; T90-L126 HydrophobicContact CG2-CD1 4.01Å; V95-L126 HydrophobicContact CG2-CD2 3.81Å; A123-L126 HydrophobicContact CB-CD1 4.29Å; A123-L126 WeakPolarHBondContact O-CB 3.44Å; A123-L126 WeakPolarHBondContact O-CD1 3.18Å; A123-L126 WeakPolarHBondContact O-CG 3.31Å; A123-L126 PolarHBondContact O-N 3.41Å; S124-L126 VanDerWaalsContact C-N 3.34Å; L126-C200 WeakPolarHBondContact CA-O 3.49Å; L126-C200 HydrophobicContact CD2-CB 4.09Å; L126-M202 HydrophobicContact CD2-CE 3.21Å; L126-M202 HydrophobicContact CD2-CG 4.49Å; L126-M202 HydrophobicContact CD2-SD 3.91Å
127T98.2Very high97.5Very high30 Ų3036.8 Ų36.818%0.18422%0.215CC..EExtended strand (participates in β ladder)trans-148.6161.2167.2-162.10000111.4A131 I133 C200 P201 M202T127-A131 HydrophobicContact CG2-CB 3.75Å; T127-A131 WeakPolarHBondContact OG1-CB 3.31Å; T127-I133 HydrophobicContact CG2-CD1 4.37Å; T127-I133 HydrophobicContact CG2-CG1 4.18Å; T127-C200 PolarHBondContact N-O 3.39Å; T127-P201 HydrophobicContact CG2-CB 3.57Å; T127-P201 CarbonylContact O-C 3.46Å; T127-P201 WeakPolarHBondContact O-CA 3.48Å; T127-M202 PolarHBondContact O-N 3.11Å
128G98Very high97.8Very high1 Ų140.5 Ų40.51%0.0124%0.239CC..  trans-91-172.5-176.800000113.3A131G128-A131 VanDerWaalsContact O-CB 3.27Å; G128-A131 WeakPolarHBondContact O-CB 3.46Å
129D98.4Very high97.8Very high17 Ų1741.4 Ų41.49%0.09124%0.241CC..THydrogen-bonded Turntrans-66.4150.5171.3-173.349000112.1F85 A131 P204 L294 T295F85-D129 HydrophobicContact CB-CB 3.8Å; F85-D129 WeakPolarHBondContact CB-O 3.5Å; F85-D129 HydrophobicContact CD1-CB 4.17Å; F85-D129 HydrophobicContact CD2-CB 4.43Å; F85-D129 HydrophobicContact CG-CB 3.9Å; D129-A131 PolarHBondContact O-N 3.27Å; D129-A131 VanDerWaalsContact O-N 3.08Å; D129-P204 HydrophobicContact CB-CB 3.73Å; D129-L294 HydrophobicContact CB-CD1 4.1Å; D129-T295 PolarHBondContact OD1-N 3.3Å
130N98.2Very high97.8Very high74 Ų7441 Ų4140%0.39624%0.239SC..THydrogen-bonded Turntrans56.614.5-173.7-62-61.8000115.7T295 Y297N130-T295 VanDerWaalsContact CA-O 3.25Å; N130-T295 WeakPolarHBondContact CA-O 3.49Å; N130-T295 PolarHBondContact N-O 3.04Å; N130-Y297 HydrophobicContact CB-CE2 4.28Å
131A98.1Very high97.8Very high15 Ų1543.3 Ų43.312%0.12425%0.25CS..EExtended strand (participates in β ladder)trans-68.9149.5179.300000112.9T127 G128 D129 T296 Y297T127-A131 HydrophobicContact CG2-CB 3.75Å; T127-A131 WeakPolarHBondContact OG1-CB 3.31Å; G128-A131 VanDerWaalsContact O-CB 3.27Å; G128-A131 WeakPolarHBondContact O-CB 3.46Å; D129-A131 PolarHBondContact O-N 3.27Å; D129-A131 VanDerWaalsContact O-N 3.08Å; A131-T296 WeakPolarHBondContact O-CA 3.36Å; A131-Y297 PolarHBondContact O-N 3.46Å
132T98.6Very high97.7Very high97 Ų9746.2 Ų46.260%0.59526%0.264SS*.EExtended strand (participates in β ladder)trans-95.5121.6167.9-58.80000109.8Y297 A299T132-Y297 CarbonylContact C-O 3.56Å; T132-Y297 WeakPolarHBondContact CA-O 3.41Å; T132-A299 HydrophobicContact CG2-CB 3.89Å
133I98.5Very high97.8Very high1 Ų145.9 Ų45.91%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-99.9134-177.6-59.6170.1000108.3T127 N135 I178 G198 P201 T296 Y297 I298 A299T127-I133 HydrophobicContact CG2-CD1 4.37Å; T127-I133 HydrophobicContact CG2-CG1 4.18Å; I133-N135 PolarHBondContact O-N 3.38Å; I133-I178 HydrophobicContact CD1-CD1 3.4Å; I133-I178 HydrophobicContact CG2-CD1 4.41Å; I133-G198 VanDerWaalsContact CD1-O 3.28Å; I133-G198 WeakPolarHBondContact CD1-O 3.33Å; I133-G198 WeakPolarHBondContact CG1-O 3.28Å; I133-G198 WeakPolarHBondContact CG2-O 3.47Å; I133-P201 HydrophobicContact CD1-CB 4.38Å; I133-P201 HydrophobicContact CD1-CG 4.16Å; I133-T296 HydrophobicContact CD1-CG2 3.91Å; I133-Y297 PolarHBondContact N-O 3.44Å; I133-I298 HydrophobicContact CB-CD1 4.2Å; I133-I298 HydrophobicContact CG2-CD1 4.49Å; I133-A299 WeakPolarHBondContact O-CB 3.48Å; I133-A299 PolarHBondContact O-N 3.39Å
134P98.4Very high97.9Very high53 Ų5343.9 Ų43.934%0.34424%0.244SC..PPolyproline II helixtrans-54.4141.6173.2-22.332000111.3H136 T197P134-H136 PolarHBondContact O-CD2 3.46Å; P134-H136 PolarHBondContact O-N 3.29Å; P134-H136 PolarHBondContact O-NE2 2.9Å; P134-T197 HydrophobicContact CG-CG2 4.37Å
135N98.1Very high98.1Very high37 Ų3739.8 Ų39.820%0.19822%0.215CC..  trans-74.5-12.5-179.56145.4000114.3I133 K137 P280 I298 A299I133-N135 PolarHBondContact O-N 3.38Å; N135-K137 HydrophobicContact CB-CG 4.23Å; N135-K137 PolarHBondContact O-N 3.11Å; N135-K137 WeakPolarHBondContact OD1-CB 3.45Å; N135-K137 WeakPolarHBondContact OD1-CG 3.29Å; N135-K137 PolarHBondContact OD1-N 2.91Å; N135-P280 HydrophobicContact CB-CB 4.43Å; N135-P280 HydrophobicContact CB-CG 4Å; N135-I298 HydrophobicContact CB-CG2 3.67Å; N135-A299 WeakPolarHBondContact CB-O 3.33Å; N135-A299 PolarHBondContact ND2-O 3.17Å
136H98.4Very high98.1Very high17 Ų1740.1 Ų40.18%0.07922%0.217CC..  trans53.624.9178.2-60.5-68.4000114.4P134 D138 I139 T140 T197P134-H136 PolarHBondContact O-CD2 3.46Å; P134-H136 PolarHBondContact O-N 3.29Å; P134-H136 PolarHBondContact O-NE2 2.9Å; H136-D138 VanDerWaalsContact C-OD1 3.29Å; H136-D138 WeakPolarHBondContact CA-OD1 3.41Å; H136-D138 PolarHBondContact O-N 2.9Å; H136-D138 VanDerWaalsContact O-N 3.14Å; H136-I139 HydrophobicContact CB-CD1 4.27Å; H136-I139 HydrophobicContact CB-CG1 3.98Å; H136-I139 WeakPolarHBondContact O-CG1 3.33Å; H136-I139 PolarHBondContact O-N 3.05Å; H136-T140 HydrophobicContact CB-CG2 4.09Å; H136-T140 PolarHBondContact O-N 2.94Å; H136-T197 PolarHBondContact CE1-O 2.77Å; H136-T197 PolarHBondContact NE2-O 2.77Å
137K97.8Very high98.1Very high84 Ų8439 Ų3937%0.36521%0.211SC..THydrogen-bonded Turntrans-65.7-14.4-178.9-74.9-64.5-171.1-175.60114N135 I139 T140 P280N135-K137 HydrophobicContact CB-CG 4.23Å; N135-K137 PolarHBondContact O-N 3.11Å; N135-K137 WeakPolarHBondContact OD1-CB 3.45Å; N135-K137 WeakPolarHBondContact OD1-CG 3.29Å; N135-K137 PolarHBondContact OD1-N 2.91Å; K137-I139 VanDerWaalsContact C-N 3.29Å; K137-T140 WeakPolarHBondContact CA-O 3.39Å; K137-P280 HydrophobicContact CG-CG 4.15Å
138D97Very high98.1Very high138 Ų13837.7 Ų37.774%0.73820%0.203SC*.THydrogen-bonded Turntrans-71.4-21.817259.8-49.2000113.2H136H136-D138 VanDerWaalsContact C-OD1 3.29Å; H136-D138 WeakPolarHBondContact CA-OD1 3.41Å; H136-D138 PolarHBondContact O-N 2.9Å; H136-D138 VanDerWaalsContact O-N 3.14Å
139I96.3Very high98.1Very high84 Ų8437.6 Ų37.643%0.43120%0.202SC..THydrogen-bonded Turntrans-123.7-29.3-177.558.9173.8000114.2H136 K137 L196H136-I139 HydrophobicContact CB-CD1 4.27Å; H136-I139 HydrophobicContact CB-CG1 3.98Å; H136-I139 WeakPolarHBondContact O-CG1 3.33Å; H136-I139 PolarHBondContact O-N 3.05Å; K137-I139 VanDerWaalsContact C-N 3.29Å; I139-L196 HydrophobicContact CD1-CD2 3.56Å
140T97.7Very high98.1Very high5 Ų536.8 Ų36.83%0.03120%0.198CC..  trans-143.2146.9-176.9-168.40000114.2H136 K137 Q142 L143 D180H136-T140 HydrophobicContact CB-CG2 4.09Å; H136-T140 PolarHBondContact O-N 2.94Å; K137-T140 WeakPolarHBondContact CA-O 3.39Å; T140-Q142 PolarHBondContact OG1-N 2.9Å; T140-L143 HydrophobicContact CG2-CB 4.41Å; T140-L143 HydrophobicContact CG2-CD1 4.39Å; T140-D180 VanDerWaalsContact CB-OD1 3.24Å; T140-D180 WeakPolarHBondContact CB-OD1 3.34Å; T140-D180 WeakPolarHBondContact CB-OD2 3.35Å; T140-D180 HydrophobicContact CG2-CB 4.27Å; T140-D180 VanDerWaalsContact OG1-CG 3.25Å; T140-D180 PolarHBondContact OG1-OD1 3.31Å
141D97Very high98.2Very high95 Ų9533.3 Ų33.351%0.50818%0.179SC..SBendtrans-107.51.3166.861.4-22.3000112.7
142Q98Very high98.2Very high61 Ų6132.6 Ų32.629%0.28517%0.173SC..  trans-120.146.3-174.1-50.3-172.81.600112.9T140 R181 K182 F277T140-Q142 PolarHBondContact OG1-N 2.9Å; Q142-R181 HydrophobicContact CB-CB 3.89Å; Q142-R181 PolarHBondContact O-N 3.34Å; Q142-K182 HydrophobicContact CB-CB 4.44Å; Q142-K182 HydrophobicContact CG-CB 4.38Å; Q142-F277 HydrophobicContact CB-CD1 4.12Å; Q142-F277 HydrophobicContact CB-CD2 3.9Å; Q142-F277 HydrophobicContact CB-CE1 3.99Å; Q142-F277 HydrophobicContact CB-CE2 3.74Å; Q142-F277 HydrophobicContact CB-CG 4.09Å; Q142-F277 HydrophobicContact CB-CZ 3.79Å; Q142-F277 HydrophobicContact CG-CD2 3.92Å; Q142-F277 HydrophobicContact CG-CE2 3.57Å; Q142-F277 HydrophobicContact CG-CZ 3.98Å
143L98.5Very high98.2Very high4 Ų428 Ų282%0.02115%0.145CC..EExtended strand (participates in β ladder)trans-73.8126.3174.9-164.872.7000110.1T140 I178 T179 L196 F277 L278 I298T140-L143 HydrophobicContact CG2-CB 4.41Å; T140-L143 HydrophobicContact CG2-CD1 4.39Å; L143-I178 HydrophobicContact CD1-CG2 3.48Å; L143-I178 VanDerWaalsContact CD1-CG2 3.48Å; L143-I178 HydrophobicContact CD2-CG2 4.33Å; L143-I178 HydrophobicContact CG-CG2 3.8Å; L143-T179 CarbonylContact C-O 3.59Å; L143-T179 WeakPolarHBondContact CA-O 3.36Å; L143-L196 HydrophobicContact CD1-CD1 3.46Å; L143-L196 VanDerWaalsContact CD1-CD1 3.46Å; L143-F277 WeakPolarHBondContact O-CB 3.23Å; L143-L278 HydrophobicContact CB-CB 4.31Å; L143-L278 HydrophobicContact CD2-CB 4.36Å; L143-L278 HydrophobicContact CD2-CD1 4.32Å; L143-L278 HydrophobicContact CG-CB 4.5Å; L143-L278 HydrophobicContact CG-CD1 4.28Å; L143-L278 WeakPolarHBondContact O-CB 3.35Å; L143-L278 PolarHBondContact O-N 3.34Å; L143-I298 HydrophobicContact CD2-CD1 4.33Å
144D98.6Very high98.2Very high0 Ų028 Ų280%015%0.146CC..EExtended strand (participates in β ladder)trans-128.1152.4-171-155.70.9000111.8I178 T179 R181 G269 A270 F277D144-I178 VanDerWaalsContact O-CA 3.25Å; D144-I178 WeakPolarHBondContact O-CA 3.39Å; D144-T179 PolarHBondContact N-O 2.98Å; D144-T179 PolarHBondContact O-N 2.87Å; D144-R181 HydrophobicContact CB-CG 3.85Å; D144-R181 IonicContact OD2-CZ 2.56Å; D144-R181 IonicContact OD2-NE 3.35Å; D144-R181 PolarHBondContact OD2-NE 2.88Å; D144-R181 IonicContact OD2-NH2 3.78Å; D144-R181 PolarHBondContact OD2-NH2 2.86Å; D144-G269 VanDerWaalsContact OD1-CA 3.24Å; D144-G269 WeakPolarHBondContact OD1-CA 3.32Å; D144-G269 PolarHBondContact OD1-N 3.26Å; D144-G269 PolarHBondContact OD2-N 2.89Å; D144-A270 PolarHBondContact OD2-N 3.12Å; D144-F277 HydrophobicContact CB-CD1 4.25Å
145Y98.6Very high98.1Very high0 Ų029.6 Ų29.60%015%0.147CC..  trans-100.4149.1176.553.3-92.1000110.3N176 T222 V224 R229 Q230 G267 G269 L278Y145-N176 WeakPolarHBondContact CA-OD1 3.47Å; Y145-T222 HydrophobicContact CD2-CG2 3.49Å; Y145-T222 VanDerWaalsContact CD2-CG2 3.49Å; Y145-T222 HydrophobicContact CE2-CG2 4.14Å; Y145-T222 HydrophobicContact CG-CG2 4.01Å; Y145-V224 HydrophobicContact CD1-CG2 3.59Å; Y145-V224 HydrophobicContact CE1-CG2 3.55Å; Y145-V224 HydrophobicContact CG-CG2 4.26Å; Y145-R229 HydrophobicContact CE1-CB 4.42Å; Y145-R229 HydrophobicContact CE1-CG 4.18Å; Y145-R229 HydrophobicContact CE2-CB 3.54Å; Y145-R229 HydrophobicContact CE2-CG 4.19Å; Y145-R229 VanDerWaalsContact CZ-CB 3.45Å; Y145-R229 WeakPolarHBondContact OH-CB 3.24Å; Y145-R229 WeakPolarHBondContact OH-CD 3.48Å; Y145-R229 VanDerWaalsContact OH-CG 3.27Å; Y145-R229 WeakPolarHBondContact OH-CG 3.41Å; Y145-R229 PolarHBondContact OH-NH1 3.34Å; Y145-Q230 HydrophobicContact CD2-CG 4.26Å; Y145-Q230 HydrophobicContact CE2-CG 3.81Å; Y145-G267 WeakPolarHBondContact CE2-O 3.41Å; Y145-G267 PolarHBondContact OH-O 2.79Å; Y145-G269 PolarHBondContact OH-N 2.82Å; Y145-L278 HydrophobicContact CD1-CD1 4.41Å; Y145-L278 HydrophobicContact CD1-CD2 3.73Å; Y145-L278 HydrophobicContact CD1-CG 3.97Å; Y145-L278 HydrophobicContact CE1-CD2 4.45Å
146E98.6Very high98.1Very high6 Ų631.4 Ų31.43%0.02816%0.163CC..  trans-14796.8176.7-66.1-169.8156.400108E148 N176 D177 T179 R181 K194 T264 V268E146-E148 PolarHBondContact O-N 2.83Å; E146-N176 PolarHBondContact N-OD1 2.91Å; E146-N176 CarbonylContact O-C 3.54Å; E146-N176 VanDerWaalsContact O-CA 3.28Å; E146-N176 WeakPolarHBondContact O-CA 3.47Å; E146-D177 HydrophobicContact CB-CB 3.9Å; E146-D177 WeakPolarHBondContact CB-O 3.22Å; E146-D177 PolarHBondContact O-N 2.82Å; E146-T179 PolarHBondContact OE2-OG1 2.83Å; E146-R181 IonicContact OE1-CZ 2.67Å; E146-R181 IonicContact OE1-NH1 3.65Å; E146-R181 PolarHBondContact OE1-NH1 3.04Å; E146-R181 IonicContact OE1-NH2 2.76Å; E146-R181 PolarHBondContact OE1-NH2 3.27Å; E146-K194 IonicContact OE1-NZ 3.29Å; E146-K194 IonicContact OE2-NZ 2.73Å; E146-K194 PolarHBondContact OE2-NZ 2.88Å; E146-T264 HydrophobicContact CB-CG2 3.77Å; E146-T264 HydrophobicContact CG-CG2 3.82Å; E146-V268 HydrophobicContact CG-CG1 3.94Å
147G98.6Very high98.1Very high0 Ų031.3 Ų31.30%017%0.167CC..EExtended strand (participates in β ladder)trans-74.9123.3179.400000111.7T222 T264 P265G147-T222 WeakPolarHBondContact CA-OG1 3.14Å; G147-T264 PolarHBondContact O-OG1 2.89Å; G147-P265 WeakPolarHBondContact O-CD 3.36Å
148E98.6Very high98.1Very high2 Ų233.9 Ų33.91%0.00918%0.18CC..EExtended strand (participates in β ladder)trans-135.1153-173.5-50.7-158.6167.800113.5E146 I175 D177 A261 T262 G263 T264 I288E146-E148 PolarHBondContact O-N 2.83Å; E148-I175 HydrophobicContact CB-CB 4.41Å; E148-I175 PolarHBondContact N-O 3.13Å; E148-I175 PolarHBondContact O-N 3.46Å; E148-D177 HydrophobicContact CG-CB 4.35Å; E148-A261 VanDerWaalsContact OE2-CB 3.22Å; E148-A261 WeakPolarHBondContact OE2-CB 3.18Å; E148-T262 PolarHBondContact OE2-N 2.81Å; E148-G263 VanDerWaalsContact CD-N 3.34Å; E148-G263 WeakPolarHBondContact CG-O 3.34Å; E148-G263 WeakPolarHBondContact OE1-CA 3.48Å; E148-G263 VanDerWaalsContact OE2-CA 3.31Å; E148-G263 WeakPolarHBondContact OE2-CA 3.38Å; E148-G263 PolarHBondContact OE2-N 2.73Å; E148-T264 PolarHBondContact OE1-N 2.86Å; E148-I288 WeakPolarHBondContact O-CD1 3.44Å
149L98.6Very high98.1Very high0 Ų034.9 Ų34.90%018%0.177CC..EExtended strand (participates in β ladder)trans-76.1129.2161.7-174.972000109Y172 L212 P215 I220 T234 I241 T262 I288 I291L149-Y172 HydrophobicContact CD1-CD1 4.38Å; L149-Y172 HydrophobicContact CD1-CG 4.43Å; L149-Y172 HydrophobicContact CD2-CD1 4.21Å; L149-Y172 HydrophobicContact CG-CD1 4.4Å; L149-L212 HydrophobicContact CD1-CD2 4.28Å; L149-P215 HydrophobicContact CD2-CB 4.45Å; L149-I220 HydrophobicContact CB-CD1 4.34Å; L149-T234 HydrophobicContact CB-CG2 4.15Å; L149-T234 HydrophobicContact CD2-CG2 4.14Å; L149-I241 HydrophobicContact CD2-CD1 4.31Å; L149-T262 WeakPolarHBondContact O-CG2 3.47Å; L149-T262 PolarHBondContact O-N 3Å; L149-T262 VanDerWaalsContact O-N 3.13Å; L149-T262 PolarHBondContact O-OG1 3.43Å; L149-I288 HydrophobicContact CB-CD1 4.23Å; L149-I288 HydrophobicContact CD1-CD1 4.07Å; L149-I288 HydrophobicContact CD1-CG2 4.45Å; L149-I291 HydrophobicContact CD1-CD1 3.57Å
150G98.7Very high98.2Very high0 Ų031 Ų310%016%0.157CC..EExtended strand (participates in β ladder)trans-101.5130.9169.300000110.9Y172 T173 I260G150-Y172 CarbonylContact O-C 3.47Å; G150-Y172 WeakPolarHBondContact O-CA 3.33Å; G150-T173 PolarHBondContact N-O 2.88Å; G150-T173 PolarHBondContact O-N 3.14Å; G150-I260 CarbonylContact C-O 3.52Å; G150-I260 WeakPolarHBondContact CA-O 3.41Å
151I98.7Very high98.3Very high0 Ų033.6 Ų33.60%018%0.175CC..EExtended strand (participates in β ladder)trans-91.6134170.4-56.9153000108.4I153 V169 Y172 I241 L244 I245 I259 I260 T262I151-I153 HydrophobicContact CG2-CD1 4.31Å; I151-V169 HydrophobicContact CG2-CB 4.46Å; I151-V169 HydrophobicContact CG2-CG1 4.01Å; I151-V169 HydrophobicContact CG2-CG2 3.78Å; I151-Y172 HydrophobicContact CG1-CD1 4.48Å; I151-Y172 HydrophobicContact CG1-CE1 4.43Å; I151-I241 HydrophobicContact CD1-CB 4.27Å; I151-I241 HydrophobicContact CD1-CG1 4.1Å; I151-I241 HydrophobicContact CD1-CG2 3.75Å; I151-I241 HydrophobicContact CG1-CG1 4.4Å; I151-I241 HydrophobicContact CG1-CG2 4.14Å; I151-L244 HydrophobicContact CD1-CD1 4.31Å; I151-I245 HydrophobicContact CG2-CD1 4.4Å; I151-I259 VanDerWaalsContact O-CA 3.3Å; I151-I259 WeakPolarHBondContact O-CA 3.39Å; I151-I260 HydrophobicContact CB-CB 4.22Å; I151-I260 HydrophobicContact CD1-CB 4.2Å; I151-I260 HydrophobicContact CD1-CG2 4.26Å; I151-I260 PolarHBondContact N-O 3.43Å; I151-I260 PolarHBondContact O-N 2.82Å; I151-T262 HydrophobicContact CD1-CG2 3.55Å; I151-T262 HydrophobicContact CG1-CG2 3.86Å
152V98.7Very high98.3Very high0 Ų032.5 Ų32.50%017%0.165CC..EExtended strand (participates in β ladder)trans-108.4123.4173.1-174.60000109.9L48 Y170 G171 T173 I206 D258 I259L48-V152 HydrophobicContact CD1-CG1 4.12Å; V152-Y170 PolarHBondContact O-N 2.98Å; V152-G171 PolarHBondContact N-O 2.91Å; V152-G171 PolarHBondContact O-N 3.02Å; V152-T173 HydrophobicContact CG2-CG2 4.28Å; V152-I206 HydrophobicContact CB-CG2 4.31Å; V152-I206 HydrophobicContact CG1-CD1 4.12Å; V152-I206 HydrophobicContact CG2-CD1 3.94Å; V152-I206 HydrophobicContact CG2-CG1 3.9Å; V152-I206 HydrophobicContact CG2-CG2 3.99Å; V152-D258 WeakPolarHBondContact CA-O 3.4Å; V152-I259 HydrophobicContact CG2-CG1 4.5Å
153I98.7Very high98.2Very high0 Ų034.4 Ų34.40%019%0.191CC..EExtended strand (participates in β ladder)trans-76.9138.1178.2-57.5-56.4000110.4I151 K155 Y168 I245 L254 H255 P256 G257 D258 I260I151-I153 HydrophobicContact CG2-CD1 4.31Å; I153-K155 WeakPolarHBondContact CG2-O 3.38Å; I153-Y168 CarbonylContact C-O 3.59Å; I153-Y168 WeakPolarHBondContact CA-O 3.45Å; I153-I245 HydrophobicContact CD1-CD1 4.31Å; I153-I245 HydrophobicContact CD1-CG1 4.3Å; I153-L254 HydrophobicContact CD1-CD1 4.05Å; I153-L254 HydrophobicContact CG1-CB 4.47Å; I153-L254 HydrophobicContact CG1-CD1 4.3Å; I153-L254 HydrophobicContact CG2-CB 4.22Å; I153-H255 WeakPolarHBondContact CB-O 3.49Å; I153-H255 WeakPolarHBondContact CG2-O 3.27Å; I153-P256 CarbonylContact O-C 3.54Å; I153-P256 VanDerWaalsContact O-CA 3.31Å; I153-P256 WeakPolarHBondContact O-CA 3.14Å; I153-G257 PolarHBondContact O-N 2.75Å; I153-D258 HydrophobicContact CB-CB 4.14Å; I153-D258 HydrophobicContact CG1-CB 4.01Å; I153-D258 PolarHBondContact N-O 2.75Å; I153-I260 HydrophobicContact CD1-CD1 4.03Å; I153-I260 HydrophobicContact CG1-CD1 4.46Å
154G98Very high98.2Very high2 Ų238 Ų382%0.02121%0.211CC..  trans-118.2-4.9-18000000115.1Y168G154-Y168 PolarHBondContact N-O 2.77Å
155K97.5Very high98.2Very high86 Ų8638 Ų3837%0.37421%0.211SC..SBendtrans-139.2143.3179.6-65.6-178.3-174.6158.40110.2I153 D167 Y168I153-K155 WeakPolarHBondContact CG2-O 3.38Å; K155-D167 VanDerWaalsContact CD-O 3.3Å; K155-D167 WeakPolarHBondContact CD-O 3.31Å; K155-D167 WeakPolarHBondContact CE-O 3.47Å; K155-D167 PolarHBondContact NZ-O 3.13Å; K155-Y168 HydrophobicContact CB-CD1 3.62Å; K155-Y168 HydrophobicContact CB-CE1 4.06Å; K155-Y168 HydrophobicContact CB-CG 4.22Å; K155-Y168 WeakPolarHBondContact O-CD1 3.3Å
156S97.8Very high98.1Very high76 Ų7642.2 Ų42.253%0.53123%0.233SC..  trans-74138.7173.3-61.40000110.7Y168 L254 P256S156-Y168 WeakPolarHBondContact O-CE1 3.41Å; S156-L254 CarbonylContact C-O 3.58Å; S156-L254 WeakPolarHBondContact CA-O 3.24Å; S156-P256 WeakPolarHBondContact OG-CD 3.21Å
157G97.7Very high98Very high15 Ų1545.9 Ų45.916%0.15525%0.252CS..BIsolated β-bridgetrans-169.3156.7175.800000114.6L254G157-L254 PolarHBondContact N-O 2.9Å; G157-L254 PolarHBondContact O-N 2.97Å
158E97.9Very high98Very high137 Ų13748.2 Ų48.264%0.6426%0.261SS*.SBendtrans-132.8147.6173.1-73.7174.4-137.900108.1I160 A253E158-I160 PolarHBondContact O-N 2.96Å; E158-A253 HydrophobicContact CG-CB 3.47Å; E158-A253 VanDerWaalsContact CG-CB 3.47Å
159K98.2Very high98Very high159 Ų15948.3 Ų48.369%0.69126%0.262SS*.SBendtrans4947.5179.8-57.7175.1-177174.40111.6P161 S249K159-P161 WeakPolarHBondContact O-CD 2.99Å; K159-S249 WeakPolarHBondContact CA-O 3.4Å; K159-S249 PolarHBondContact N-O 2.79Å
160I98.4Very high98Very high2 Ų248.6 Ų48.61%0.0126%0.263CS..  trans-71.8118.7-175.8-59.8163.5000107.7E158 A165 Y168 I245 E246 S249 L254E158-I160 PolarHBondContact O-N 2.96Å; I160-A165 HydrophobicContact CG2-CB 4.37Å; I160-Y168 HydrophobicContact CB-CE2 4.44Å; I160-Y168 HydrophobicContact CD1-CD1 3.49Å; I160-Y168 VanDerWaalsContact CD1-CD1 3.49Å; I160-Y168 HydrophobicContact CD1-CD2 4.22Å; I160-Y168 HydrophobicContact CD1-CE1 3.64Å; I160-Y168 HydrophobicContact CD1-CE2 4.34Å; I160-Y168 HydrophobicContact CD1-CG 3.82Å; I160-Y168 HydrophobicContact CG1-CD1 4.2Å; I160-Y168 HydrophobicContact CG1-CD2 4.47Å; I160-Y168 HydrophobicContact CG1-CE1 3.87Å; I160-Y168 HydrophobicContact CG1-CE2 4.16Å; I160-Y168 HydrophobicContact CG2-CD2 3.62Å; I160-Y168 HydrophobicContact CG2-CE2 3.48Å; I160-Y168 VanDerWaalsContact CG2-CE2 3.48Å; I160-Y168 HydrophobicContact CG2-CG 4.29Å; I160-I245 HydrophobicContact CB-CG2 4.33Å; I160-I245 HydrophobicContact CD1-CG2 4.03Å; I160-I245 HydrophobicContact CG2-CG2 4.21Å; I160-E246 WeakPolarHBondContact O-CA 3.15Å; I160-E246 WeakPolarHBondContact O-CG 3.33Å; I160-S249 WeakPolarHBondContact CB-OG 3.42Å; I160-S249 PolarHBondContact N-OG 2.94Å; I160-L254 HydrophobicContact CD1-CD1 4.04Å
161P97.9Very high98Very high61 Ų6148.6 Ų48.640%0.39626%0.263SS..  trans-70145.9177.729.2-34.2000110.6K159 A163 L164 A165K159-P161 WeakPolarHBondContact O-CD 2.99Å; P161-A163 PolarHBondContact O-N 3.06Å; P161-A163 VanDerWaalsContact O-N 3.09Å; P161-L164 HydrophobicContact CG-CB 4.15Å; P161-L164 HydrophobicContact CG-CD1 3.76Å; P161-L164 HydrophobicContact CG-CG 3.96Å; P161-L164 PolarHBondContact O-N 3.46Å; P161-A165 PolarHBondContact O-N 3.44Å
162K97.2Very high98Very high71 Ų7149.1 Ų49.131%0.30927%0.265SS..Hα-helixtrans-45.2-45.5179.9-174.4175.7-179.1170.40113.3L164 A165 D242 E243 E246K162-L164 PolarHBondContact O-N 2.89Å; K162-A165 WeakPolarHBondContact O-CB 3.28Å; K162-A165 PolarHBondContact O-N 3.35Å; K162-D242 VanDerWaalsContact CE-OD1 3.32Å; K162-D242 WeakPolarHBondContact CE-OD1 3.42Å; K162-D242 WeakPolarHBondContact CE-OD2 3.24Å; K162-D242 HydrophobicContact CG-CB 3.77Å; K162-D242 VanDerWaalsContact CG-OD2 3.28Å; K162-D242 WeakPolarHBondContact CG-OD2 3.26Å; K162-E243 HydrophobicContact CD-CG 3.87Å; K162-E243 IonicContact NZ-OE1 2.66Å; K162-E243 PolarHBondContact NZ-OE1 3.11Å; K162-E243 IonicContact NZ-OE2 2.75Å; K162-E246 HydrophobicContact CB-CB 4.41Å; K162-E246 PolarHBondContact N-OE1 3.25Å
163A97.7Very high98Very high101 Ų10149.2 Ų49.284%0.83527%0.266SS*.Hα-helixtrans-61.6-18.4-178.700000115P161P161-A163 PolarHBondContact O-N 3.06Å; P161-A163 VanDerWaalsContact O-N 3.09Å
164L97.7Very high98Very high81 Ų8149.2 Ų49.242%0.42427%0.266SS..Hα-helixtrans-109.5-7.9177.4-61.3-179.5000112.7P161 K162 L166 D167 Y168P161-L164 HydrophobicContact CG-CB 4.15Å; P161-L164 HydrophobicContact CG-CD1 3.76Å; P161-L164 HydrophobicContact CG-CG 3.96Å; P161-L164 PolarHBondContact O-N 3.46Å; K162-L164 PolarHBondContact O-N 2.89Å; L164-L166 VanDerWaalsContact C-N 3.33Å; L164-L166 PolarHBondContact O-N 2.81Å; L164-D167 WeakPolarHBondContact O-CB 3.18Å; L164-D167 PolarHBondContact O-N 2.74Å; L164-Y168 HydrophobicContact CB-CE2 4.31Å; L164-Y168 VanDerWaalsContact O-CD2 3.29Å; L164-Y168 WeakPolarHBondContact O-CD2 3.49Å
165A97.9Very high98Very high0 Ų049.1 Ų49.10%027%0.265CS..Hα-helixtrans-58.3-41.2-168.600000113.5I160 P161 K162 D167 Y168 D242 I245I160-A165 HydrophobicContact CG2-CB 4.37Å; P161-A165 PolarHBondContact O-N 3.44Å; K162-A165 WeakPolarHBondContact O-CB 3.28Å; K162-A165 PolarHBondContact O-N 3.35Å; A165-D167 PolarHBondContact O-N 2.79Å; A165-Y168 WeakPolarHBondContact O-CB 3.22Å; A165-Y168 PolarHBondContact O-N 2.61Å; A165-D242 HydrophobicContact CB-CB 3.8Å; A165-D242 WeakPolarHBondContact CB-O 3.49Å; A165-I245 HydrophobicContact CB-CB 3.93Å; A165-I245 HydrophobicContact CB-CD1 4.32Å; A165-I245 HydrophobicContact CB-CG2 3.79Å
166L97.2Very high98.1Very high88 Ų8845 Ų4546%0.46125%0.247SC..G310 helixtrans-64.8-22.8179.1-60.1-177.8000113.2L164 Y168 V169 I241 D242L164-L166 VanDerWaalsContact C-N 3.33Å; L164-L166 PolarHBondContact O-N 2.81Å; L166-Y168 PolarHBondContact O-N 3.09Å; L166-V169 PolarHBondContact O-N 2.9Å; L166-I241 HydrophobicContact CD2-CB 4.19Å; L166-I241 HydrophobicContact CD2-CG2 3.74Å; L166-D242 HydrophobicContact CD2-CB 4.42Å; L166-D242 HydrophobicContact CG-CB 4.45Å
167D96.8Very high98.1Very high82 Ų8241.4 Ų41.444%0.43922%0.222SC..G310 helixtrans-71.4-16.7175-72.2-28.4000113.1K155 L164 A165K155-D167 VanDerWaalsContact CD-O 3.3Å; K155-D167 WeakPolarHBondContact CD-O 3.31Å; K155-D167 WeakPolarHBondContact CE-O 3.47Å; K155-D167 PolarHBondContact NZ-O 3.13Å; L164-D167 WeakPolarHBondContact O-CB 3.18Å; L164-D167 PolarHBondContact O-N 2.74Å; A165-D167 PolarHBondContact O-N 2.79Å
168Y98.1Very high98.2Very high49 Ų4940.7 Ų40.719%0.19222%0.215CC..G310 helixtrans-88.3-11.1176.1-70.6-105.7000112.4I153 G154 K155 S156 I160 L164 A165 L166I153-Y168 CarbonylContact C-O 3.59Å; I153-Y168 WeakPolarHBondContact CA-O 3.45Å; G154-Y168 PolarHBondContact N-O 2.77Å; K155-Y168 HydrophobicContact CB-CD1 3.62Å; K155-Y168 HydrophobicContact CB-CE1 4.06Å; K155-Y168 HydrophobicContact CB-CG 4.22Å; K155-Y168 WeakPolarHBondContact O-CD1 3.3Å; S156-Y168 WeakPolarHBondContact O-CE1 3.41Å; I160-Y168 HydrophobicContact CB-CE2 4.44Å; I160-Y168 HydrophobicContact CD1-CD1 3.49Å; I160-Y168 VanDerWaalsContact CD1-CD1 3.49Å; I160-Y168 HydrophobicContact CD1-CD2 4.22Å; I160-Y168 HydrophobicContact CD1-CE1 3.64Å; I160-Y168 HydrophobicContact CD1-CE2 4.34Å; I160-Y168 HydrophobicContact CD1-CG 3.82Å; I160-Y168 HydrophobicContact CG1-CD1 4.2Å; I160-Y168 HydrophobicContact CG1-CD2 4.47Å; I160-Y168 HydrophobicContact CG1-CE1 3.87Å; I160-Y168 HydrophobicContact CG1-CE2 4.16Å; I160-Y168 HydrophobicContact CG2-CD2 3.62Å; I160-Y168 HydrophobicContact CG2-CE2 3.48Å; I160-Y168 VanDerWaalsContact CG2-CE2 3.48Å; I160-Y168 HydrophobicContact CG2-CG 4.29Å; L164-Y168 HydrophobicContact CB-CE2 4.31Å; L164-Y168 VanDerWaalsContact O-CD2 3.29Å; L164-Y168 WeakPolarHBondContact O-CD2 3.49Å; A165-Y168 WeakPolarHBondContact O-CB 3.22Å; A165-Y168 PolarHBondContact O-N 2.61Å; L166-Y168 PolarHBondContact O-N 3.09Å
169V98.4Very high98.2Very high5 Ų534.2 Ų34.23%0.0318%0.184CC..EExtended strand (participates in β ladder)trans-79.3125.1177.6-1790000109.8I151 L166 G171 Y172 I241 I245I151-V169 HydrophobicContact CG2-CB 4.46Å; I151-V169 HydrophobicContact CG2-CG1 4.01Å; I151-V169 HydrophobicContact CG2-CG2 3.78Å; L166-V169 PolarHBondContact O-N 2.9Å; V169-G171 WeakPolarHBondContact CG1-O 3.33Å; V169-Y172 HydrophobicContact CG1-CE1 3.83Å; V169-Y172 HydrophobicContact CG1-CE2 4.36Å; V169-I241 HydrophobicContact CG2-CG2 4.2Å; V169-I245 HydrophobicContact CG2-CD1 3.61Å
170Y98.3Very high98.2Very high6 Ų627 Ų272%0.02415%0.153CC..EExtended strand (participates in β ladder)trans-81.2-42.1167.8-171.2-99000111.2F3 L48 F56 Q57 V152 I206 T208 K209F3-Y170 HydrophobicContact CD2-CE1 4.13Å; F3-Y170 HydrophobicContact CE2-CE1 4.09Å; F3-Y170 VanDerWaalsContact CE2-OH 3.23Å; F3-Y170 WeakPolarHBondContact CE2-OH 3.48Å; F3-Y170 WeakPolarHBondContact CZ-OH 3.31Å; L48-Y170 HydrophobicContact CD2-CD1 3.38Å; L48-Y170 HydrophobicContact CD2-CD2 3.71Å; L48-Y170 HydrophobicContact CD2-CE1 3.33Å; L48-Y170 HydrophobicContact CD2-CE2 3.67Å; L48-Y170 HydrophobicContact CD2-CG 3.56Å; L48-Y170 VanDerWaalsContact CD2-CZ 3.47Å; F56-Y170 WeakPolarHBondContact CD1-OH 3.18Å; Q57-Y170 HydrophobicContact CG-CE2 4.2Å; Q57-Y170 VanDerWaalsContact CG-OH 3.26Å; Q57-Y170 WeakPolarHBondContact CG-OH 3.42Å; V152-Y170 PolarHBondContact O-N 2.98Å; Y170-I206 HydrophobicContact CD1-CG2 4.16Å; Y170-T208 HydrophobicContact CE1-CG2 3.94Å; Y170-K209 PolarHBondContact O-N 3.02Å
171G98.5Very high98.1Very high0 Ų027.7 Ų27.70%016%0.156CC..EExtended strand (participates in β ladder)trans178-163.8-171.600000113.2V152 V169 V207V152-G171 PolarHBondContact N-O 2.91Å; V152-G171 PolarHBondContact O-N 3.02Å; V169-G171 WeakPolarHBondContact CG1-O 3.33Å; G171-V207 CarbonylContact C-O 3.55Å; G171-V207 WeakPolarHBondContact CA-O 3.3Å
172Y98.8Very high98.1Very high11 Ų1128.4 Ų28.44%0.04315%0.152CC..EExtended strand (participates in β ladder)trans-136.6150.6-172.3-51.4-78.4000111.5L149 G150 I151 V169 I206 V207 K209 L212 P215 I241L149-Y172 HydrophobicContact CD1-CD1 4.38Å; L149-Y172 HydrophobicContact CD1-CG 4.43Å; L149-Y172 HydrophobicContact CD2-CD1 4.21Å; L149-Y172 HydrophobicContact CG-CD1 4.4Å; G150-Y172 CarbonylContact O-C 3.47Å; G150-Y172 WeakPolarHBondContact O-CA 3.33Å; I151-Y172 HydrophobicContact CG1-CD1 4.48Å; I151-Y172 HydrophobicContact CG1-CE1 4.43Å; V169-Y172 HydrophobicContact CG1-CE1 3.83Å; V169-Y172 HydrophobicContact CG1-CE2 4.36Å; Y172-I206 CarbonylContact O-C 3.41Å; Y172-I206 WeakPolarHBondContact O-CA 3.47Å; Y172-V207 PolarHBondContact N-O 3.3Å; Y172-V207 PolarHBondContact O-N 2.6Å; Y172-K209 HydrophobicContact CE2-CB 4.28Å; Y172-L212 HydrophobicContact CD2-CB 3.74Å; Y172-L212 HydrophobicContact CD2-CD2 3.59Å; Y172-L212 HydrophobicContact CD2-CG 4.26Å; Y172-L212 HydrophobicContact CE2-CB 4.09Å; Y172-L212 HydrophobicContact CE2-CD2 4.26Å; Y172-L212 HydrophobicContact CG-CD2 3.78Å; Y172-P215 HydrophobicContact CD1-CB 4.27Å; Y172-P215 HydrophobicContact CD2-CB 4.38Å; Y172-P215 HydrophobicContact CE1-CB 3.73Å; Y172-P215 HydrophobicContact CE1-CG 4.26Å; Y172-P215 HydrophobicContact CE2-CB 3.82Å; Y172-P215 HydrophobicContact CE2-CG 4.27Å; Y172-P215 VanDerWaalsContact CZ-CB 3.48Å; Y172-P215 WeakPolarHBondContact OH-CG 3.4Å; Y172-I241 HydrophobicContact CE1-CD1 3.93Å
173T98.8Very high98.1Very high1 Ų125.7 Ų25.71%0.00614%0.143CC..EExtended strand (participates in β ladder)trans-136171.4175.2-173.30000109.6G150 V152 I175 G203 Y205G150-T173 PolarHBondContact N-O 2.88Å; G150-T173 PolarHBondContact O-N 3.14Å; V152-T173 HydrophobicContact CG2-CG2 4.28Å; T173-I175 HydrophobicContact CG2-CG1 4.16Å; T173-G203 WeakPolarHBondContact OG1-CA 3.46Å; T173-G203 PolarHBondContact OG1-N 2.86Å; T173-Y205 WeakPolarHBondContact CA-O 3.38Å; T173-Y205 WeakPolarHBondContact CB-O 3.25Å; T173-Y205 PolarHBondContact OG1-O 3.14Å; T173-Y205 VanDerWaalsContact OG1-O 3.08Å
174I98.8Very high98Very high0 Ų022.8 Ų22.80%011%0.112CC..EExtended strand (participates in β ladder)trans-93.2141.8167-46.2179.7000107.7M202 G203 V286 I288 I291 G292 L294I174-M202 VanDerWaalsContact O-CA 3.22Å; I174-M202 WeakPolarHBondContact O-CA 3.47Å; I174-G203 VanDerWaalsContact CB-O 3.26Å; I174-G203 WeakPolarHBondContact CB-O 3.11Å; I174-G203 PolarHBondContact O-N 3.34Å; I174-V286 HydrophobicContact CG2-CB 3.71Å; I174-V286 HydrophobicContact CG2-CG1 3.37Å; I174-I288 HydrophobicContact CB-CD1 4.36Å; I174-I288 HydrophobicContact CD1-CB 4.2Å; I174-I288 HydrophobicContact CD1-CG1 4.18Å; I174-I288 HydrophobicContact CG1-CB 4.15Å; I174-I288 HydrophobicContact CG1-CD1 4.04Å; I174-I288 HydrophobicContact CG1-CG1 3.94Å; I174-I288 HydrophobicContact CG2-CD1 4.14Å; I174-I288 HydrophobicContact CG2-CG1 4.21Å; I174-I291 HydrophobicContact CD1-CB 4.37Å; I174-I291 HydrophobicContact CD1-CG2 4.11Å; I174-I291 HydrophobicContact CG1-CB 4.17Å; I174-I291 HydrophobicContact CG1-CG2 3.64Å; I174-G292 WeakPolarHBondContact CD1-O 3.43Å; I174-L294 HydrophobicContact CB-CB 4.11Å; I174-L294 HydrophobicContact CB-CD2 4.41Å; I174-L294 HydrophobicContact CD1-CB 4.43Å; I174-L294 HydrophobicContact CG2-CB 4.02Å; I174-L294 HydrophobicContact CG2-CD2 4.2Å
175I98.8Very high97.8Very high0 Ų023.5 Ų23.50%012%0.124CC..EExtended strand (participates in β ladder)trans-126.1141.4170-57.9174.7000107.1V95 E148 T173 P201 M202 I259 A261V95-I175 HydrophobicContact CG1-CD1 4.49Å; E148-I175 HydrophobicContact CB-CB 4.41Å; E148-I175 PolarHBondContact N-O 3.13Å; E148-I175 PolarHBondContact O-N 3.46Å; T173-I175 HydrophobicContact CG2-CG1 4.16Å; I175-P201 WeakPolarHBondContact CA-O 3.47Å; I175-M202 HydrophobicContact CG1-CB 4.3Å; I175-I259 HydrophobicContact CD1-CG2 3.56Å; I175-A261 HydrophobicContact CD1-CB 3.65Å
176N98.8Very high97.6Very high1 Ų129.4 Ų29.41%0.00515%0.152CC..EExtended strand (participates in β ladder)trans-110.9106.9160.2170.118.6000108.3Y145 E146 I178 P201 V286 L294Y145-N176 WeakPolarHBondContact CA-OD1 3.47Å; E146-N176 PolarHBondContact N-OD1 2.91Å; E146-N176 CarbonylContact O-C 3.54Å; E146-N176 VanDerWaalsContact O-CA 3.28Å; E146-N176 WeakPolarHBondContact O-CA 3.47Å; N176-I178 VanDerWaalsContact C-N 3.25Å; N176-I178 PolarHBondContact O-N 3.12Å; N176-P201 HydrophobicContact CB-CG 3.66Å; N176-P201 PolarHBondContact N-O 3.02Å; N176-P201 WeakPolarHBondContact O-CD 3.37Å; N176-P201 WeakPolarHBondContact O-CG 3.41Å; N176-V286 HydrophobicContact CB-CG2 3.86Å; N176-L294 HydrophobicContact CB-CD2 4.36Å
177D98.5Very high97.3Very high0 Ų029.4 Ų29.40%015%0.15CC..  trans-79.271.5-177.8-178.28.3000110.9F119 K121 E146 E148 T179 K194F119-D177 WeakPolarHBondContact CZ-OD2 3.19Å; K121-D177 WeakPolarHBondContact CD-OD1 3.29Å; K121-D177 VanDerWaalsContact CE-OD1 3.3Å; K121-D177 WeakPolarHBondContact CE-OD1 3.46Å; K121-D177 IonicContact NZ-OD1 2.84Å; K121-D177 PolarHBondContact NZ-OD1 2.73Å; E146-D177 HydrophobicContact CB-CB 3.9Å; E146-D177 WeakPolarHBondContact CB-O 3.22Å; E146-D177 PolarHBondContact O-N 2.82Å; E148-D177 HydrophobicContact CG-CB 4.35Å; D177-T179 PolarHBondContact O-N 2.99Å; D177-T179 PolarHBondContact O-OG1 2.83Å; D177-K194 VanDerWaalsContact OD1-CD 3.23Å; D177-K194 WeakPolarHBondContact OD1-CD 3.41Å; D177-K194 IonicContact OD1-NZ 2.64Å; D177-K194 PolarHBondContact OD1-NZ 3.07Å; D177-K194 IonicContact OD2-NZ 2.8Å; D177-K194 PolarHBondContact OD2-NZ 3.28Å
178I98.6Very high97.1Very high0 Ų033.6 Ų33.60%017%0.172CC..  trans-61.4130.6-178.8-64.2176.9000110.1K121 I133 L143 D144 N176 G199 P201K121-I178 PolarHBondContact NZ-O 3.23Å; I133-I178 HydrophobicContact CD1-CD1 3.4Å; I133-I178 HydrophobicContact CG2-CD1 4.41Å; L143-I178 HydrophobicContact CD1-CG2 3.48Å; L143-I178 VanDerWaalsContact CD1-CG2 3.48Å; L143-I178 HydrophobicContact CD2-CG2 4.33Å; L143-I178 HydrophobicContact CG-CG2 3.8Å; D144-I178 VanDerWaalsContact O-CA 3.25Å; D144-I178 WeakPolarHBondContact O-CA 3.39Å; N176-I178 VanDerWaalsContact C-N 3.25Å; N176-I178 PolarHBondContact O-N 3.12Å; I178-G199 WeakPolarHBondContact CB-O 3.28Å; I178-G199 PolarHBondContact N-O 2.84Å; I178-G199 VanDerWaalsContact N-O 3.11Å; I178-P201 HydrophobicContact CD1-CG 4.08Å; I178-P201 HydrophobicContact CG1-CG 4.41Å
179T98.5Very high97Very high0 Ų038.4 Ų38.40%020%0.196CC..EExtended strand (participates in β ladder)trans-126.9131.4-169.9-58.40000110.9L143 D144 E146 D177 R181 Q184 K194L143-T179 CarbonylContact C-O 3.59Å; L143-T179 WeakPolarHBondContact CA-O 3.36Å; D144-T179 PolarHBondContact N-O 2.98Å; D144-T179 PolarHBondContact O-N 2.87Å; E146-T179 PolarHBondContact OE2-OG1 2.83Å; D177-T179 PolarHBondContact O-N 2.99Å; D177-T179 PolarHBondContact O-OG1 2.83Å; T179-R181 HydrophobicContact CG2-CG 4.44Å; T179-R181 PolarHBondContact O-N 3.12Å; T179-Q184 HydrophobicContact CG2-CB 4.35Å; T179-K194 HydrophobicContact CG2-CD 4.16Å; T179-K194 WeakPolarHBondContact OG1-CD 3.12Å; T179-K194 VanDerWaalsContact OG1-CE 3.24Å; T179-K194 WeakPolarHBondContact OG1-CE 3.08Å; T179-K194 PolarHBondContact OG1-NZ 2.76Å
180D98.2Very high96.9Very high8 Ų838.3 Ų38.34%0.04320%0.196CC..EExtended strand (participates in β ladder)trans-83.7101.1161177.4-2.3000109.2T140 K182 A183 Q184 S193 L196T140-D180 VanDerWaalsContact CB-OD1 3.24Å; T140-D180 WeakPolarHBondContact CB-OD1 3.34Å; T140-D180 WeakPolarHBondContact CB-OD2 3.35Å; T140-D180 HydrophobicContact CG2-CB 4.27Å; T140-D180 VanDerWaalsContact OG1-CG 3.25Å; T140-D180 PolarHBondContact OG1-OD1 3.31Å; D180-K182 VanDerWaalsContact C-N 3.27Å; D180-K182 PolarHBondContact O-N 2.97Å; D180-K182 WeakPolarHBondContact OD1-CB 3.31Å; D180-K182 PolarHBondContact OD1-N 3.18Å; D180-A183 HydrophobicContact CB-CB 4.06Å; D180-A183 VanDerWaalsContact CG-CB 3.49Å; D180-A183 PolarHBondContact O-N 3.44Å; D180-A183 PolarHBondContact OD1-N 3.33Å; D180-A183 VanDerWaalsContact OD1-N 3.11Å; D180-A183 WeakPolarHBondContact OD2-CB 3.29Å; D180-Q184 VanDerWaalsContact O-CB 3.3Å; D180-Q184 WeakPolarHBondContact O-CB 3.04Å; D180-Q184 PolarHBondContact O-N 3.25Å; D180-S193 PolarHBondContact N-O 2.82Å; D180-S193 WeakPolarHBondContact O-CB 3.36Å; D180-L196 HydrophobicContact CB-CD1 3.83Å
181R97.4Very high96.9Very high17 Ų1741.8 Ų41.86%0.06421%0.211CC..Hα-helixtrans-67.6-27.9-177.2-64.2-69.5-167.7-156.7-5.3113.1Q142 D144 E146 T179 S185 A270 F277Q142-R181 HydrophobicContact CB-CB 3.89Å; Q142-R181 PolarHBondContact O-N 3.34Å; D144-R181 HydrophobicContact CB-CG 3.85Å; D144-R181 IonicContact OD2-CZ 2.56Å; D144-R181 IonicContact OD2-NE 3.35Å; D144-R181 PolarHBondContact OD2-NE 2.88Å; D144-R181 IonicContact OD2-NH2 3.78Å; D144-R181 PolarHBondContact OD2-NH2 2.86Å; E146-R181 IonicContact OE1-CZ 2.67Å; E146-R181 IonicContact OE1-NH1 3.65Å; E146-R181 PolarHBondContact OE1-NH1 3.04Å; E146-R181 IonicContact OE1-NH2 2.76Å; E146-R181 PolarHBondContact OE1-NH2 3.27Å; T179-R181 HydrophobicContact CG2-CG 4.44Å; T179-R181 PolarHBondContact O-N 3.12Å; R181-S185 PolarHBondContact O-N 3.02Å; R181-S185 VanDerWaalsContact O-N 3.15Å; R181-A270 HydrophobicContact CG-CB 4.19Å; R181-F277 HydrophobicContact CB-CE1 4.29Å; R181-F277 HydrophobicContact CG-CE1 3.94Å
182K96.9Very high96.8Very high75 Ų7546.7 Ų46.733%0.32624%0.237SC..Hα-helixtrans-66.3-57.2175.4178.2-173.3169-165.60109.4Q142 D180 Q184 S185 E186Q142-K182 HydrophobicContact CB-CB 4.44Å; Q142-K182 HydrophobicContact CG-CB 4.38Å; D180-K182 VanDerWaalsContact C-N 3.27Å; D180-K182 PolarHBondContact O-N 2.97Å; D180-K182 WeakPolarHBondContact OD1-CB 3.31Å; D180-K182 PolarHBondContact OD1-N 3.18Å; K182-Q184 PolarHBondContact O-N 3.01Å; K182-S185 PolarHBondContact O-N 2.98Å; K182-S185 VanDerWaalsContact O-N 3.08Å; K182-S185 PolarHBondContact O-OG 3.49Å; K182-E186 WeakPolarHBondContact CE-OE1 3.44Å; K182-E186 WeakPolarHBondContact CG-OE1 3.34Å; K182-E186 WeakPolarHBondContact O-CG 3.5Å; K182-E186 PolarHBondContact O-N 2.83Å; K182-E186 VanDerWaalsContact O-N 3.17Å
183A97Very high96.7Very high14 Ų1446.1 Ų46.112%0.11624%0.235CC..Hα-helixtrans-59.9-35.8176.600000112D180 S185 E186 Q187D180-A183 HydrophobicContact CB-CB 4.06Å; D180-A183 VanDerWaalsContact CG-CB 3.49Å; D180-A183 PolarHBondContact O-N 3.44Å; D180-A183 PolarHBondContact OD1-N 3.33Å; D180-A183 VanDerWaalsContact OD1-N 3.11Å; D180-A183 WeakPolarHBondContact OD2-CB 3.29Å; A183-S185 PolarHBondContact O-N 2.8Å; A183-E186 PolarHBondContact O-N 2.8Å; A183-Q187 WeakPolarHBondContact O-CB 3.44Å; A183-Q187 WeakPolarHBondContact O-CG 3.5Å; A183-Q187 PolarHBondContact O-N 3.13Å; A183-Q187 VanDerWaalsContact O-N 3.12Å
184Q95.7Very high96.7Very high40 Ų4046.2 Ų46.219%0.18724%0.235CC..Hα-helixtrans-59.8-36.5177.4-174.9173.258.500112T179 D180 K182 S193T179-Q184 HydrophobicContact CG2-CB 4.35Å; D180-Q184 VanDerWaalsContact O-CB 3.3Å; D180-Q184 WeakPolarHBondContact O-CB 3.04Å; D180-Q184 PolarHBondContact O-N 3.25Å; K182-Q184 PolarHBondContact O-N 3.01Å; Q184-S193 VanDerWaalsContact CA-CB 3.5Å; Q184-S193 VanDerWaalsContact N-CB 3.28Å
185S93.5Very high96.7Very high97 Ų9747.1 Ų47.168%0.67824%0.241SC*.Hα-helixtrans-79.5-24.4177.973.50000114R181 K182 A183R181-S185 PolarHBondContact O-N 3.02Å; R181-S185 VanDerWaalsContact O-N 3.15Å; K182-S185 PolarHBondContact O-N 2.98Å; K182-S185 VanDerWaalsContact O-N 3.08Å; K182-S185 PolarHBondContact O-OG 3.49Å; A183-S185 PolarHBondContact O-N 2.8Å
186E95.1Very high96.6Very high124 Ų12447.8 Ų47.858%0.57925%0.245SC*.Hα-helixtrans-90.2-13-176.7-69.6175.3176.400113.3K182 A183K182-E186 WeakPolarHBondContact CE-OE1 3.44Å; K182-E186 WeakPolarHBondContact CG-OE1 3.34Å; K182-E186 WeakPolarHBondContact O-CG 3.5Å; K182-E186 PolarHBondContact O-N 2.83Å; K182-E186 VanDerWaalsContact O-N 3.17Å; A183-E186 PolarHBondContact O-N 2.8Å
187Q90.8Very high96.6Very high88 Ų8851.9 Ų51.941%0.41127%0.27SS..  trans-116145-173.2-58.9-66.2-39.900111.7A183 Q189A183-Q187 WeakPolarHBondContact O-CB 3.44Å; A183-Q187 WeakPolarHBondContact O-CG 3.5Å; A183-Q187 PolarHBondContact O-N 3.13Å; A183-Q187 VanDerWaalsContact O-N 3.12Å; Q187-Q189 VanDerWaalsContact C-N 3.3Å; Q187-Q189 WeakPolarHBondContact CB-O 3.49Å
188D92.7Very high96.6Very high170 Ų17052.2 Ų52.291%0.90927%0.273SS*.SBendtrans-73-25.2173.7-67.7-37.5000112.6
189Q94.9Very high96.6Very high150 Ų15052.2 Ų52.270%0.70127%0.273SS*.SBendtrans-118.4137.8179.7-66.7-172.2-14.400111.1Q187 F191Q187-Q189 VanDerWaalsContact C-N 3.3Å; Q187-Q189 WeakPolarHBondContact CB-O 3.49Å; Q189-F191 PolarHBondContact O-N 2.82Å
190A96.2Very high96.6Very high3 Ų352.2 Ų52.23%0.02527%0.273CS..THydrogen-bonded Turntrans-66.8-19.1-179.800000113.8Y117 F119 L192 S193 K194Y117-A190 HydrophobicContact CE1-CB 4.13Å; Y117-A190 WeakPolarHBondContact OH-CB 3.29Å; F119-A190 HydrophobicContact CB-CB 3.6Å; F119-A190 HydrophobicContact CD1-CB 3.96Å; F119-A190 HydrophobicContact CD2-CB 4.05Å; F119-A190 HydrophobicContact CG-CB 3.6Å; A190-L192 VanDerWaalsContact C-N 3.34Å; A190-L192 PolarHBondContact O-N 2.95Å; A190-L192 VanDerWaalsContact O-N 3.15Å; A190-S193 PolarHBondContact O-N 2.97Å; A190-S193 PolarHBondContact O-OG 2.99Å; A190-K194 HydrophobicContact CB-CG 3.78Å; A190-K194 VanDerWaalsContact O-CB 3.24Å; A190-K194 WeakPolarHBondContact O-CB 3.32Å; A190-K194 WeakPolarHBondContact O-CG 3.4Å; A190-K194 PolarHBondContact O-N 2.82Å
191F97.7Very high96.6Very high78 Ų7851.8 Ų51.834%0.34227%0.271SS..THydrogen-bonded Turntrans-47.1-51.2-167.6176.2-109.3000113.5T120 A122 Q189 K194 S195T120-F191 WeakPolarHBondContact O-CD2 3.29Å; A122-F191 HydrophobicContact CB-CE2 4.01Å; A122-F191 HydrophobicContact CB-CZ 4.08Å; Q189-F191 PolarHBondContact O-N 2.82Å; F191-K194 CarbonylContact O-C 3.28Å; F191-K194 PolarHBondContact O-N 3.11Å; F191-S195 WeakPolarHBondContact CD2-OG 3.27Å; F191-S195 WeakPolarHBondContact CE2-OG 3.18Å; F191-S195 WeakPolarHBondContact O-CB 3.42Å; F191-S195 PolarHBondContact O-N 2.62Å; F191-S195 PolarHBondContact O-OG 3.17Å
192L97.1Very high96.7Very high103 Ų10351 Ų5154%0.53927%0.268SS..THydrogen-bonded Turntrans-68.1-46.1-179-64.9-179.7000112.3A190 K194 S195A190-L192 VanDerWaalsContact C-N 3.34Å; A190-L192 PolarHBondContact O-N 2.95Å; A190-L192 VanDerWaalsContact O-N 3.15Å; L192-K194 PolarHBondContact O-N 2.91Å; L192-K194 VanDerWaalsContact O-N 3.11Å; L192-S195 PolarHBondContact O-N 2.9Å
193S97.7Very high96.7Very high0 Ų047.4 Ų47.40%025%0.252CS..THydrogen-bonded Turntrans-62.6-18.5177.564.70000114.1D180 Q184 A190D180-S193 PolarHBondContact N-O 2.82Å; D180-S193 WeakPolarHBondContact O-CB 3.36Å; Q184-S193 VanDerWaalsContact CA-CB 3.5Å; Q184-S193 VanDerWaalsContact N-CB 3.28Å; A190-S193 PolarHBondContact O-N 2.97Å; A190-S193 PolarHBondContact O-OG 2.99Å
194K98.1Very high96.8Very high3 Ų346.9 Ų46.91%0.01325%0.248CC..THydrogen-bonded Turntrans-112.4-0.1-174.2-65.2-75.3-167.7164.10113F119 K121 E146 D177 T179 A190 F191 L192F119-K194 HydrophobicContact CD2-CB 3.93Å; F119-K194 HydrophobicContact CD2-CD 4.26Å; F119-K194 HydrophobicContact CD2-CG 3.72Å; F119-K194 HydrophobicContact CE2-CB 3.89Å; F119-K194 HydrophobicContact CE2-CD 3.52Å; F119-K194 HydrophobicContact CE2-CG 3.52Å; F119-K194 HydrophobicContact CZ-CD 3.88Å; F119-K194 HydrophobicContact CZ-CG 4.2Å; K121-K194 VanDerWaalsContact CE-O 3.26Å; K121-K194 WeakPolarHBondContact CE-O 3.32Å; K121-K194 HydrophobicContact CG-CB 4.16Å; K121-K194 WeakPolarHBondContact CG-O 3.34Å; K121-K194 PolarHBondContact NZ-O 3.26Å; E146-K194 IonicContact OE1-NZ 3.29Å; E146-K194 IonicContact OE2-NZ 2.73Å; E146-K194 PolarHBondContact OE2-NZ 2.88Å; D177-K194 VanDerWaalsContact OD1-CD 3.23Å; D177-K194 WeakPolarHBondContact OD1-CD 3.41Å; D177-K194 IonicContact OD1-NZ 2.64Å; D177-K194 PolarHBondContact OD1-NZ 3.07Å; D177-K194 IonicContact OD2-NZ 2.8Å; D177-K194 PolarHBondContact OD2-NZ 3.28Å; T179-K194 HydrophobicContact CG2-CD 4.16Å; T179-K194 WeakPolarHBondContact OG1-CD 3.12Å; T179-K194 VanDerWaalsContact OG1-CE 3.24Å; T179-K194 WeakPolarHBondContact OG1-CE 3.08Å; T179-K194 PolarHBondContact OG1-NZ 2.76Å; A190-K194 HydrophobicContact CB-CG 3.78Å; A190-K194 VanDerWaalsContact O-CB 3.24Å; A190-K194 WeakPolarHBondContact O-CB 3.32Å; A190-K194 WeakPolarHBondContact O-CG 3.4Å; A190-K194 PolarHBondContact O-N 2.82Å; F191-K194 CarbonylContact O-C 3.28Å; F191-K194 PolarHBondContact O-N 3.11Å; L192-K194 PolarHBondContact O-N 2.91Å; L192-K194 VanDerWaalsContact O-N 3.11Å
195S98.2Very high96.9Very high18 Ų1846 Ų4613%0.12624%0.243CC..  trans-121.921.5-174-60.80000114.2A122 F191 L192A122-S195 PolarHBondContact N-OG 3.04Å; F191-S195 WeakPolarHBondContact CD2-OG 3.27Å; F191-S195 WeakPolarHBondContact CE2-OG 3.18Å; F191-S195 WeakPolarHBondContact O-CB 3.42Å; F191-S195 PolarHBondContact O-N 2.62Å; F191-S195 PolarHBondContact O-OG 3.17Å; L192-S195 PolarHBondContact O-N 2.9Å
196L98.1Very high97.1Very high14 Ų1441.4 Ų41.47%0.07321%0.211CC..  trans-49.4144.7170.3-65.1164.1000110.8S125 I139 L143 D180 G198 G199S125-L196 WeakPolarHBondContact CA-O 3.49Å; S125-L196 WeakPolarHBondContact CB-O 3.45Å; I139-L196 HydrophobicContact CD1-CD2 3.56Å; L143-L196 HydrophobicContact CD1-CD1 3.46Å; L143-L196 VanDerWaalsContact CD1-CD1 3.46Å; D180-L196 HydrophobicContact CB-CD1 3.83Å; L196-G198 PolarHBondContact O-N 3.46Å; L196-G199 WeakPolarHBondContact O-CA 3.21Å; L196-G199 PolarHBondContact O-N 2.7Å
197T98.1Very high97.3Very high88 Ų8835.5 Ų35.554%0.5418%0.183SC..THydrogen-bonded Turntrans-56.2127171.6-580000109.8P134 H136 G199P134-T197 HydrophobicContact CG-CG2 4.37Å; H136-T197 PolarHBondContact CE1-O 2.77Å; H136-T197 PolarHBondContact NE2-O 2.77Å; T197-G199 PolarHBondContact O-N 2.94Å
198G98.1Very high97.6Very high6 Ų631.3 Ų31.36%0.06216%0.163CC..THydrogen-bonded Turntrans69.511.5-173.200000114.4S125 I133 L196 C200 P201S125-G198 CarbonylContact O-C 3.52Å; S125-G198 WeakPolarHBondContact O-CA 3.34Å; S125-G198 PolarHBondContact O-N 3.03Å; I133-G198 VanDerWaalsContact CD1-O 3.28Å; I133-G198 WeakPolarHBondContact CD1-O 3.33Å; I133-G198 WeakPolarHBondContact CG1-O 3.28Å; I133-G198 WeakPolarHBondContact CG2-O 3.47Å; L196-G198 PolarHBondContact O-N 3.46Å; G198-C200 VanDerWaalsContact C-N 3.3Å; G198-C200 PolarHBondContact O-N 2.92Å; G198-P201 WeakPolarHBondContact O-CD 3.3Å
199G98.2Very high97.9Very high0 Ų027.5 Ų27.50%014%0.139CC..  trans-80.5-2.5-179.100000115K121 S125 I178 L196 T197K121-G199 WeakPolarHBondContact CE-O 3.3Å; K121-G199 PolarHBondContact NZ-O 2.95Å; S125-G199 PolarHBondContact O-N 3.18Å; S125-G199 VanDerWaalsContact O-N 3.13Å; I178-G199 WeakPolarHBondContact CB-O 3.28Å; I178-G199 PolarHBondContact N-O 2.84Å; I178-G199 VanDerWaalsContact N-O 3.11Å; L196-G199 WeakPolarHBondContact O-CA 3.21Å; L196-G199 PolarHBondContact O-N 2.7Å; T197-G199 PolarHBondContact O-N 2.94Å
200C98.5Very high97.9Very high0 Ų024.9 Ų24.90%013%0.13CC..EExtended strand (participates in β ladder)trans-128.357.8174.6-162.20000111.7K121 S125 L126 T127 G198 M202K121-C200 HydrophobicContact CB-CB 4.36Å; K121-C200 HydrophobicContact CD-CB 4.13Å; K121-C200 WeakPolarHBondContact CE-SG 3.38Å; S125-C200 WeakPolarHBondContact O-CA 3.49Å; S125-C200 PolarHBondContact O-N 3.34Å; S125-C200 WeakPolarHBondContact OG-CB 3.38Å; L126-C200 WeakPolarHBondContact CA-O 3.49Å; L126-C200 HydrophobicContact CD2-CB 4.09Å; T127-C200 PolarHBondContact N-O 3.39Å; G198-C200 VanDerWaalsContact C-N 3.3Å; G198-C200 PolarHBondContact O-N 2.92Å; C200-M202 PolarHBondContact O-N 3.25Å
201P98.7Very high97.9Very high0 Ų028.8 Ų28.80%015%0.147CC..EExtended strand (participates in β ladder)trans-56.2137.1167.929.6-40.5000111T127 I133 I175 N176 I178 G198 L294 T296T127-P201 HydrophobicContact CG2-CB 3.57Å; T127-P201 CarbonylContact O-C 3.46Å; T127-P201 WeakPolarHBondContact O-CA 3.48Å; I133-P201 HydrophobicContact CD1-CB 4.38Å; I133-P201 HydrophobicContact CD1-CG 4.16Å; I175-P201 WeakPolarHBondContact CA-O 3.47Å; N176-P201 HydrophobicContact CB-CG 3.66Å; N176-P201 PolarHBondContact N-O 3.02Å; N176-P201 WeakPolarHBondContact O-CD 3.37Å; N176-P201 WeakPolarHBondContact O-CG 3.41Å; I178-P201 HydrophobicContact CD1-CG 4.08Å; I178-P201 HydrophobicContact CG1-CG 4.41Å; G198-P201 WeakPolarHBondContact O-CD 3.3Å; P201-L294 HydrophobicContact CB-CD2 4.14Å; P201-T296 HydrophobicContact CB-CG2 3.6Å; P201-T296 HydrophobicContact CG-CG2 4.3Å
202M98.4Very high97.8Very high0 Ų025.1 Ų25.10%013%0.132CC..EExtended strand (participates in β ladder)trans-148.2154.9178.661.2170.155.100112.3P87 V95 L126 T127 I174 I175 C200 I259P87-M202 HydrophobicContact CB-CG 3.82Å; P87-M202 HydrophobicContact CB-SD 3.9Å; V95-M202 HydrophobicContact CG2-CE 3.87Å; L126-M202 HydrophobicContact CD2-CE 3.21Å; L126-M202 HydrophobicContact CD2-CG 4.49Å; L126-M202 HydrophobicContact CD2-SD 3.91Å; T127-M202 PolarHBondContact O-N 3.11Å; I174-M202 VanDerWaalsContact O-CA 3.22Å; I174-M202 WeakPolarHBondContact O-CA 3.47Å; I175-M202 HydrophobicContact CG1-CB 4.3Å; C200-M202 PolarHBondContact O-N 3.25Å; M202-I259 HydrophobicContact CE-CD1 3.41Å; M202-I259 VanDerWaalsContact CE-CD1 3.41Å; M202-I259 HydrophobicContact CE-CG2 4.39Å; M202-I259 HydrophobicContact SD-CD1 3.47Å; M202-I259 WeakPolarHBondContact SD-CD1 3.48Å
203G98.5Very high97.5Very high0 Ų025 Ų250%014%0.137CC..EExtended strand (participates in β ladder)trans116.4-145.217900000111.6T173 I174T173-G203 WeakPolarHBondContact OG1-CA 3.46Å; T173-G203 PolarHBondContact OG1-N 2.86Å; I174-G203 VanDerWaalsContact CB-O 3.26Å; I174-G203 WeakPolarHBondContact CB-O 3.11Å; I174-G203 PolarHBondContact O-N 3.34Å
204P97.7Very high97.4Very high3 Ų330.5 Ų30.52%0.01917%0.166CC..EExtended strand (participates in β ladder)cis-62.2-17.6-9.222.7-32000112.8L4 F85 D129 T293L4-P204 WeakPolarHBondContact CB-O 3.44Å; F85-P204 HydrophobicContact CD1-CB 3.9Å; F85-P204 HydrophobicContact CE1-CB 3.86Å; D129-P204 HydrophobicContact CB-CB 3.73Å; P204-T293 WeakPolarHBondContact CD-O 3.5Å; P204-T293 WeakPolarHBondContact CG-O 3.32Å
205Y98.5Very high97.4Very high20 Ų2031.2 Ų31.28%0.07817%0.171CC..EExtended strand (participates in β ladder)trans-125.2149.4-173.5-44-65.4000113.2K2 F3 L4 K17 F80 T173 I291K2-Y205 HydrophobicContact CB-CD1 4.05Å; K2-Y205 HydrophobicContact CB-CD2 4.47Å; K2-Y205 HydrophobicContact CB-CG 3.91Å; K2-Y205 HydrophobicContact CD-CD2 3.8Å; K2-Y205 HydrophobicContact CD-CE2 4.21Å; K2-Y205 HydrophobicContact CD-CG 4.1Å; F3-Y205 CarbonylContact O-C 3.57Å; F3-Y205 WeakPolarHBondContact O-CA 3.45Å; L4-Y205 HydrophobicContact CB-CD1 4.17Å; L4-Y205 HydrophobicContact CD1-CE1 4.35Å; L4-Y205 HydrophobicContact CD2-CD1 4.31Å; L4-Y205 HydrophobicContact CD2-CE1 4.43Å; K17-Y205 HydrophobicContact CB-CE1 4.14Å; K17-Y205 HydrophobicContact CD-CE1 4.08Å; K17-Y205 HydrophobicContact CD-CE2 4.38Å; K17-Y205 VanDerWaalsContact CE-OH 3.27Å; K17-Y205 WeakPolarHBondContact CE-OH 3.42Å; K17-Y205 HydrophobicContact CG-CE1 4.43Å; F80-Y205 VanDerWaalsContact CE2-OH 3.24Å; F80-Y205 WeakPolarHBondContact CE2-OH 3.13Å; F80-Y205 HydrophobicContact CZ-CE1 4.12Å; T173-Y205 WeakPolarHBondContact CA-O 3.38Å; T173-Y205 WeakPolarHBondContact CB-O 3.25Å; T173-Y205 PolarHBondContact OG1-O 3.14Å; T173-Y205 VanDerWaalsContact OG1-O 3.08Å; Y205-I291 WeakPolarHBondContact CD2-O 3.18Å
206I98.7Very high97.2Very high1 Ų133 Ų331%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-89.9113.3148.9-62.5169.8000107K2 F3 L44 P88 V89 V152 Y170 Y172K2-I206 CarbonylContact C-O 3.19Å; F3-I206 HydrophobicContact CB-CB 4.38Å; F3-I206 PolarHBondContact N-O 3.41Å; F3-I206 PolarHBondContact O-N 3.08Å; L44-I206 HydrophobicContact CD2-CD1 4.05Å; P88-I206 HydrophobicContact CB-CD1 3.59Å; P88-I206 HydrophobicContact CB-CG1 3.56Å; P88-I206 HydrophobicContact CG-CG1 4.15Å; V89-I206 HydrophobicContact CG1-CD1 4.08Å; V89-I206 HydrophobicContact CG2-CD1 4.16Å; V152-I206 HydrophobicContact CB-CG2 4.31Å; V152-I206 HydrophobicContact CG1-CD1 4.12Å; V152-I206 HydrophobicContact CG2-CD1 3.94Å; V152-I206 HydrophobicContact CG2-CG1 3.9Å; V152-I206 HydrophobicContact CG2-CG2 3.99Å; Y170-I206 HydrophobicContact CD1-CG2 4.16Å; Y172-I206 CarbonylContact O-C 3.41Å; Y172-I206 WeakPolarHBondContact O-CA 3.47Å
207V98.4Very high97.2Very high0 Ų037.2 Ų37.20%020%0.2CC..EExtended strand (participates in β ladder)trans-85133.2167.5-57.20000109.6M1 K2 G171 Y172 E211 L212 I291M1-V207 WeakPolarHBondContact O-CA 3.23Å; K2-V207 HydrophobicContact CB-CG1 4.46Å; K2-V207 HydrophobicContact CD-CG1 3.99Å; K2-V207 HydrophobicContact CG-CG1 3.85Å; G171-V207 CarbonylContact C-O 3.55Å; G171-V207 WeakPolarHBondContact CA-O 3.3Å; Y172-V207 PolarHBondContact N-O 3.3Å; Y172-V207 PolarHBondContact O-N 2.6Å; V207-E211 HydrophobicContact CB-CB 4.14Å; V207-L212 HydrophobicContact CG2-CB 4.27Å; V207-I291 HydrophobicContact CG1-CB 4.33Å; V207-I291 HydrophobicContact CG1-CG2 4.07Å; V207-I291 HydrophobicContact CG2-CB 4.49Å; V207-I291 HydrophobicContact CG2-CD1 4.31Å; V207-I291 HydrophobicContact CG2-CG1 3.82Å; V207-I291 HydrophobicContact CG2-CG2 4.47Å
208T98.1Very high97.2Very high0 Ų033.5 Ų33.50%018%0.177CC..EExtended strand (participates in β ladder)trans-66152.3177.3580000110.4M1 F3 Q57 Y170 D210 E211M1-T208 HydrophobicContact CB-CG2 4.03Å; M1-T208 PolarHBondContact N-OG1 2.72Å; M1-T208 PolarHBondContact O-N 3.28Å; F3-T208 HydrophobicContact CD2-CG2 3.88Å; F3-T208 HydrophobicContact CE2-CG2 3.55Å; Q57-T208 VanDerWaalsContact CD-CG2 3.41Å; Q57-T208 HydrophobicContact CG-CG2 4.02Å; Y170-T208 HydrophobicContact CE1-CG2 3.94Å; T208-D210 WeakPolarHBondContact CB-OD1 3.34Å; T208-D210 PolarHBondContact O-N 3.26Å; T208-D210 PolarHBondContact OG1-OD1 2.98Å; T208-E211 WeakPolarHBondContact O-CB 3.22Å; T208-E211 PolarHBondContact O-N 2.82Å
209K97.1Very high97.1Very high90 Ų9036.3 Ų36.339%0.39119%0.19SC..G310 helixtrans-53.9-31.6-173.170.5-178-174.1176.60114.6Y170 Y172 E211 L212Y170-K209 PolarHBondContact O-N 3.02Å; Y172-K209 HydrophobicContact CE2-CB 4.28Å; K209-E211 VanDerWaalsContact C-N 3.3Å; K209-E211 PolarHBondContact O-N 2.9Å; K209-L212 CarbonylContact O-C 3.56Å; K209-L212 PolarHBondContact O-N 2.97Å
210D95.7Very high97.2Very high95 Ų9536.3 Ų36.351%0.50819%0.19SC..G310 helixtrans-70-21.8177.957.5-65.3000113.7Q57 T208 L212Q57-D210 PolarHBondContact OE1-OD1 3Å; T208-D210 WeakPolarHBondContact CB-OD1 3.34Å; T208-D210 PolarHBondContact O-N 3.26Å; T208-D210 PolarHBondContact OG1-OD1 2.98Å; D210-L212 VanDerWaalsContact C-N 3.33Å
211E95.8Very high97.2Very high85 Ų8537.6 Ų37.640%0.39720%0.198SC..G310 helixtrans-81.3-13.7174.8-61.8-75.2170.200112.8M1 V207 T208 K209M1-E211 VanDerWaalsContact N-CD 3.34Å; M1-E211 PolarHBondContact N-OE1 3.41Å; V207-E211 HydrophobicContact CB-CB 4.14Å; T208-E211 WeakPolarHBondContact O-CB 3.22Å; T208-E211 PolarHBondContact O-N 2.82Å; K209-E211 VanDerWaalsContact C-N 3.3Å; K209-E211 PolarHBondContact O-N 2.9Å
212L95.4Very high97.2Very high2 Ų237.6 Ų37.61%0.0120%0.198CC..  trans-132.367.6-179.7-157.572.6000110.3L149 Y172 V207 K209 D210 L214 P215 V218 D289 N290 I291L149-L212 HydrophobicContact CD1-CD2 4.28Å; Y172-L212 HydrophobicContact CD2-CB 3.74Å; Y172-L212 HydrophobicContact CD2-CD2 3.59Å; Y172-L212 HydrophobicContact CD2-CG 4.26Å; Y172-L212 HydrophobicContact CE2-CB 4.09Å; Y172-L212 HydrophobicContact CE2-CD2 4.26Å; Y172-L212 HydrophobicContact CG-CD2 3.78Å; V207-L212 HydrophobicContact CG2-CB 4.27Å; K209-L212 CarbonylContact O-C 3.56Å; K209-L212 PolarHBondContact O-N 2.97Å; D210-L212 VanDerWaalsContact C-N 3.33Å; L212-L214 PolarHBondContact O-N 3.09Å; L212-L214 VanDerWaalsContact O-N 3.12Å; L212-P215 HydrophobicContact CD2-CB 3.97Å; L212-P215 HydrophobicContact CG-CB 4.36Å; L212-P215 WeakPolarHBondContact O-CD 3.17Å; L212-V218 HydrophobicContact CD1-CG1 3.88Å; L212-V218 HydrophobicContact CG-CG1 4.37Å; L212-D289 WeakPolarHBondContact CD1-O 3.46Å; L212-N290 HydrophobicContact CD1-CB 3.75Å; L212-I291 HydrophobicContact CD1-CG1 4.37Å; L212-I291 HydrophobicContact CD2-CD1 4Å; L212-I291 HydrophobicContact CD2-CG1 4.19Å
213P92.6Very high97.2Very high101 Ų10141 Ų4166%0.65621%0.213SC*.SBendtrans-65.5-19.4-17126.1-36000114.3P215P213-P215 VanDerWaalsContact C-CD 3.48Å; P213-P215 WeakPolarHBondContact O-CD 3.45Å
214L95.3Very high97.2Very high114 Ų11441 Ų4160%0.59721%0.213SC*.  trans-123.865.5178.3-61.4176.7000110.1L212 E216 N217 V218L212-L214 PolarHBondContact O-N 3.09Å; L212-L214 VanDerWaalsContact O-N 3.12Å; L214-E216 PolarHBondContact O-N 2.91Å; L214-E216 VanDerWaalsContact O-N 3.13Å; L214-N217 HydrophobicContact CB-CB 4.36Å; L214-N217 PolarHBondContact O-N 2.95Å; L214-V218 WeakPolarHBondContact O-CG1 3.37Å
215P96.6Very high97.2Very high18 Ų1844.7 Ų44.712%0.11723%0.233CC..THydrogen-bonded Turntrans-65.3-19.1-173.131.9-38.6000113L149 Y172 L212 P213 T234 I241L149-P215 HydrophobicContact CD2-CB 4.45Å; Y172-P215 HydrophobicContact CD1-CB 4.27Å; Y172-P215 HydrophobicContact CD2-CB 4.38Å; Y172-P215 HydrophobicContact CE1-CB 3.73Å; Y172-P215 HydrophobicContact CE1-CG 4.26Å; Y172-P215 HydrophobicContact CE2-CB 3.82Å; Y172-P215 HydrophobicContact CE2-CG 4.27Å; Y172-P215 VanDerWaalsContact CZ-CB 3.48Å; Y172-P215 WeakPolarHBondContact OH-CG 3.4Å; L212-P215 HydrophobicContact CD2-CB 3.97Å; L212-P215 HydrophobicContact CG-CB 4.36Å; L212-P215 WeakPolarHBondContact O-CD 3.17Å; P213-P215 VanDerWaalsContact C-CD 3.48Å; P213-P215 WeakPolarHBondContact O-CD 3.45Å; P215-T234 WeakPolarHBondContact O-CB 3.43Å; P215-T234 PolarHBondContact O-OG1 3.07Å; P215-I241 HydrophobicContact CB-CD1 3.71Å; P215-I241 HydrophobicContact CG-CD1 3.65Å
216E95.8Very high97.2Very high57 Ų5749.2 Ų49.227%0.26626%0.258SS..THydrogen-bonded Turntrans-96.818.5176.5-53-173.7159.700112.7L214 T234 G235 M237 K240 I241L214-E216 PolarHBondContact O-N 2.91Å; L214-E216 VanDerWaalsContact O-N 3.13Å; E216-T234 VanDerWaalsContact CA-OG1 3.31Å; E216-T234 WeakPolarHBondContact CA-OG1 3.46Å; E216-T234 CarbonylContact O-C 3.54Å; E216-G235 WeakPolarHBondContact O-CA 3.5Å; E216-G235 PolarHBondContact O-N 2.87Å; E216-M237 HydrophobicContact CB-CE 4.35Å; E216-M237 HydrophobicContact CG-CE 3.97Å; E216-K240 WeakPolarHBondContact OE1-CB 3.26Å; E216-K240 WeakPolarHBondContact OE2-CD 3.36Å; E216-I241 HydrophobicContact CG-CD1 3.77Å; E216-I241 HydrophobicContact CG-CG1 4.1Å; E216-I241 PolarHBondContact OE1-N 3.01Å
217N97Very high97.2Very high102 Ų10253 Ų5355%0.54528%0.276SS..SBendtrans-148.357.4172.8-174.632.4000110.4L214 T234L214-N217 HydrophobicContact CB-CB 4.36Å; L214-N217 PolarHBondContact O-N 2.95Å; N217-T234 PolarHBondContact N-OG1 3.42Å; N217-T234 VanDerWaalsContact N-OG1 3.09Å
218V97.2Very high97.2Very high9 Ų957.4 Ų57.46%0.05530%0.298CS..  trans-129146.1176.1-65.10000110.8L212 L214 N233 T234 I288 D289L212-V218 HydrophobicContact CD1-CG1 3.88Å; L212-V218 HydrophobicContact CG-CG1 4.37Å; L214-V218 WeakPolarHBondContact O-CG1 3.37Å; V218-N233 WeakPolarHBondContact O-CA 3.49Å; V218-N233 PolarHBondContact O-ND2 3.33Å; V218-T234 HydrophobicContact CG2-CG2 3.7Å; V218-T234 WeakPolarHBondContact CG2-OG1 3.37Å; V218-T234 PolarHBondContact N-OG1 3.38Å; V218-T234 PolarHBondContact O-N 3.02Å; V218-T234 PolarHBondContact O-OG1 3.01Å; V218-I288 HydrophobicContact CB-CG2 4.29Å; V218-I288 HydrophobicContact CG2-CG2 3.76Å; V218-D289 HydrophobicContact CB-CB 4.46Å
219N98Very high97.2Very high66 Ų6658.6 Ų58.635%0.35330%0.303SS..EExtended strand (participates in β ladder)trans-78.3142178.8-54.9-46.8000110.4G232 N233 I288 D289N219-G232 CarbonylContact C-O 3.48Å; N219-G232 WeakPolarHBondContact CA-O 3.44Å; N219-N233 PolarHBondContact OD1-ND2 3.32Å; N219-I288 WeakPolarHBondContact O-CA 3.4Å; N219-D289 WeakPolarHBondContact CB-OD2 3.37Å; N219-D289 PolarHBondContact ND2-OD2 3.14Å; N219-D289 PolarHBondContact O-N 3.4Å
220I98.4Very high97.3Very high0 Ų054.3 Ų54.30%028%0.284CS..EExtended strand (participates in β ladder)trans-120.5118.8171.7-53.4176.4000107.2L149 G232 T234 V286 T287 I288L149-I220 HydrophobicContact CB-CD1 4.34Å; I220-G232 PolarHBondContact N-O 2.74Å; I220-G232 PolarHBondContact O-N 3.04Å; I220-T234 HydrophobicContact CD1-CG2 3.52Å; I220-T234 HydrophobicContact CG1-CG2 3.95Å; I220-V286 HydrophobicContact CG2-CG1 4.12Å; I220-T287 WeakPolarHBondContact CA-O 3.35Å; I220-I288 HydrophobicContact CB-CG1 4.37Å; I220-I288 HydrophobicContact CD1-CD1 4.19Å; I220-I288 HydrophobicContact CG1-CD1 3.93Å; I220-I288 HydrophobicContact CG1-CG1 3.96Å; I220-I288 HydrophobicContact CG2-CD1 4.33Å; I220-I288 HydrophobicContact CG2-CG1 4.09Å
221V98.6Very high97.3Very high27 Ų2755.2 Ų55.216%0.16429%0.289CS..EExtended strand (participates in β ladder)trans-122.2121.6-179.6-179.90000109.7K223 I228 Q230 V286 T287V221-K223 HydrophobicContact CG1-CG 4.23Å; V221-I228 HydrophobicContact CG1-CG1 4.36Å; V221-I228 HydrophobicContact CG1-CG2 4.28Å; V221-Q230 CarbonylContact C-O 3.43Å; V221-Q230 VanDerWaalsContact CA-O 3.29Å; V221-Q230 WeakPolarHBondContact CA-O 3.08Å; V221-V286 CarbonylContact O-C 3.57Å; V221-V286 WeakPolarHBondContact O-CA 3.32Å; V221-T287 PolarHBondContact N-O 3.37Å; V221-T287 PolarHBondContact O-N 3.12Å
222T98.8Very high97.4Very high0 Ų051.6 Ų51.60%028%0.275CS..EExtended strand (participates in β ladder)trans-106.4127.7172-55.90000109.9Y145 G147 R229 Q230 V284 K285 V286Y145-T222 HydrophobicContact CD2-CG2 3.49Å; Y145-T222 VanDerWaalsContact CD2-CG2 3.49Å; Y145-T222 HydrophobicContact CE2-CG2 4.14Å; Y145-T222 HydrophobicContact CG-CG2 4.01Å; G147-T222 WeakPolarHBondContact CA-OG1 3.14Å; T222-R229 PolarHBondContact O-N 2.9Å; T222-Q230 PolarHBondContact N-O 3.18Å; T222-Q230 PolarHBondContact O-N 2.92Å; T222-Q230 VanDerWaalsContact O-N 3.12Å; T222-Q230 PolarHBondContact OG1-OE1 2.87Å; T222-V284 HydrophobicContact CG2-CG1 4.02Å; T222-K285 CarbonylContact C-O 3.59Å; T222-K285 WeakPolarHBondContact CA-O 3.47Å; T222-V286 HydrophobicContact CG2-CG2 3.96Å
223K98.8Very high97.5Very high71 Ų7152.9 Ų52.931%0.30928%0.282SS..EExtended strand (participates in β ladder)trans-116.5142173.9-60.8179-177.6175.20110.7V221 E227 I228 V284 K285V221-K223 HydrophobicContact CG1-CG 4.23Å; K223-E227 CarbonylContact C-O 3.59Å; K223-E227 WeakPolarHBondContact CA-O 3.2Å; K223-I228 HydrophobicContact CD-CG1 4.25Å; K223-I228 HydrophobicContact CG-CG1 3.95Å; K223-V284 CarbonylContact O-C 3.48Å; K223-V284 WeakPolarHBondContact O-CA 3.34Å; K223-K285 HydrophobicContact CB-CB 4.4Å; K223-K285 PolarHBondContact N-O 2.94Å; K223-K285 PolarHBondContact O-N 3.08Å
224V98.8Very high97.7Very high1 Ų148.1 Ų48.11%0.00625%0.25CS..EExtended strand (participates in β ladder)trans-119.1118.3168.1179.90000108.2Y145 N226 E227 R229 L278 D282 E283 V284Y145-V224 HydrophobicContact CD1-CG2 3.59Å; Y145-V224 HydrophobicContact CE1-CG2 3.55Å; Y145-V224 HydrophobicContact CG-CG2 4.26Å; V224-N226 VanDerWaalsContact C-N 3.26Å; V224-N226 PolarHBondContact O-N 3.48Å; V224-E227 PolarHBondContact N-O 3Å; V224-E227 VanDerWaalsContact O-CB 3.27Å; V224-E227 WeakPolarHBondContact O-CB 3.34Å; V224-E227 PolarHBondContact O-N 3.21Å; V224-R229 HydrophobicContact CB-CG 4.05Å; V224-R229 HydrophobicContact CG2-CG 3.86Å; V224-L278 HydrophobicContact CG1-CD2 4.13Å; V224-L278 HydrophobicContact CG2-CD2 3.99Å; V224-D282 HydrophobicContact CG1-CB 4.12Å; V224-E283 CarbonylContact C-O 3.48Å; V224-E283 VanDerWaalsContact CA-O 3.29Å; V224-E283 WeakPolarHBondContact CA-O 3.4Å; V224-V284 HydrophobicContact CG2-CG1 4.46Å; V224-V284 HydrophobicContact CG2-CG2 4.4Å
225N98.6Very high97.7Very high80 Ų8044.2 Ų44.243%0.42824%0.238SC..THydrogen-bonded Turntrans50.545.1-174.9-57.2-39.3000113E227 D282 E283N225-E227 PolarHBondContact O-N 3.13Å; N225-E227 VanDerWaalsContact O-N 3.14Å; N225-D282 PolarHBondContact ND2-OD1 3.15Å; N225-E283 PolarHBondContact N-O 3.01Å; N225-E283 PolarHBondContact OD1-N 3.17Å
226N98.2Very high97.6Very high115 Ų11547.7 Ų47.762%0.61525%0.253SS*.THydrogen-bonded Turntrans65.8-3.1-174.7-54.9-62.9000116.7V224V224-N226 VanDerWaalsContact C-N 3.26Å; V224-N226 PolarHBondContact O-N 3.48Å
227E98.4Very high97.6Very high79 Ų7945.3 Ų45.337%0.36924%0.242SC..EExtended strand (participates in β ladder)trans-76.4121.5169.3-176.3-173.9-164.800108.9K223 V224 N225 R229 K276K223-E227 CarbonylContact C-O 3.59Å; K223-E227 WeakPolarHBondContact CA-O 3.2Å; V224-E227 PolarHBondContact N-O 3Å; V224-E227 VanDerWaalsContact O-CB 3.27Å; V224-E227 WeakPolarHBondContact O-CB 3.34Å; V224-E227 PolarHBondContact O-N 3.21Å; N225-E227 PolarHBondContact O-N 3.13Å; N225-E227 VanDerWaalsContact O-N 3.14Å; E227-R229 PolarHBondContact O-N 3.25Å; E227-R229 IonicContact OE1-NE 3.12Å; E227-R229 IonicContact OE2-CZ 2.62Å; E227-R229 IonicContact OE2-NE 3.38Å; E227-R229 PolarHBondContact OE2-NE 3.25Å; E227-R229 IonicContact OE2-NH2 2.87Å; E227-R229 PolarHBondContact OE2-NH2 3.47Å; E227-R229 VanDerWaalsContact OE2-NH2 3.07Å; E227-K276 IonicContact OE1-NZ 2.97Å; E227-K276 PolarHBondContact OE1-NZ 3.06Å; E227-K276 IonicContact OE2-NZ 3.28Å; E227-K276 PolarHBondContact OE2-NZ 3.42Å
228I98.4Very high97.5Very high93 Ų9343.7 Ų43.748%0.47723%0.232SC..EExtended strand (participates in β ladder)trans-65.3124.6171.3-65.2170.6000108.2V221 K223 D231V221-I228 HydrophobicContact CG1-CG1 4.36Å; V221-I228 HydrophobicContact CG1-CG2 4.28Å; K223-I228 HydrophobicContact CD-CG1 4.25Å; K223-I228 HydrophobicContact CG-CG1 3.95Å; I228-D231 HydrophobicContact CG2-CB 3.98Å
229R98Very high97.4Very high25 Ų2545.5 Ų45.59%0.09424%0.242CC..EExtended strand (participates in β ladder)trans-111.6-40.3179.2-70.5-57.5-17185.613.6112.3Y145 T222 V224 E227 G267 M272 K276Y145-R229 HydrophobicContact CE1-CB 4.42Å; Y145-R229 HydrophobicContact CE1-CG 4.18Å; Y145-R229 HydrophobicContact CE2-CB 3.54Å; Y145-R229 HydrophobicContact CE2-CG 4.19Å; Y145-R229 VanDerWaalsContact CZ-CB 3.45Å; Y145-R229 WeakPolarHBondContact OH-CB 3.24Å; Y145-R229 WeakPolarHBondContact OH-CD 3.48Å; Y145-R229 VanDerWaalsContact OH-CG 3.27Å; Y145-R229 WeakPolarHBondContact OH-CG 3.41Å; Y145-R229 PolarHBondContact OH-NH1 3.34Å; T222-R229 PolarHBondContact O-N 2.9Å; V224-R229 HydrophobicContact CB-CG 4.05Å; V224-R229 HydrophobicContact CG2-CG 3.86Å; E227-R229 PolarHBondContact O-N 3.25Å; E227-R229 IonicContact OE1-NE 3.12Å; E227-R229 IonicContact OE2-CZ 2.62Å; E227-R229 IonicContact OE2-NE 3.38Å; E227-R229 PolarHBondContact OE2-NE 3.25Å; E227-R229 IonicContact OE2-NH2 2.87Å; E227-R229 PolarHBondContact OE2-NH2 3.47Å; E227-R229 VanDerWaalsContact OE2-NH2 3.07Å; R229-G267 CarbonylContact O-C 3.6Å; R229-G267 VanDerWaalsContact O-CA 3.29Å; R229-G267 WeakPolarHBondContact O-CA 3.41Å; R229-G267 VanDerWaalsContact O-O 3.09Å; R229-M272 PolarHBondContact NH1-SD 2.73Å; R229-K276 PolarHBondContact NH1-O 3.44Å; R229-K276 VanDerWaalsContact NH2-CD 3.28Å
230Q98.2Very high97.2Very high1 Ų144.7 Ų44.71%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-124.7138173.7-51.2179.7-79.100108.3Y145 V221 T222 T264 P265 A266 G267Y145-Q230 HydrophobicContact CD2-CG 4.26Å; Y145-Q230 HydrophobicContact CE2-CG 3.81Å; V221-Q230 CarbonylContact C-O 3.43Å; V221-Q230 VanDerWaalsContact CA-O 3.29Å; V221-Q230 WeakPolarHBondContact CA-O 3.08Å; T222-Q230 PolarHBondContact N-O 3.18Å; T222-Q230 PolarHBondContact O-N 2.92Å; T222-Q230 VanDerWaalsContact O-N 3.12Å; T222-Q230 PolarHBondContact OG1-OE1 2.87Å; Q230-T264 PolarHBondContact NE2-OG1 3.42Å; Q230-P265 HydrophobicContact CB-CG 4.39Å; Q230-P265 PolarHBondContact NE2-O 2.94Å; Q230-A266 WeakPolarHBondContact CG-O 3.44Å; Q230-G267 WeakPolarHBondContact CG-O 3.47Å
231D97.5Very high97.2Very high114 Ų11444.7 Ų44.761%0.6124%0.235SC*.EExtended strand (participates in β ladder)trans-148.792.1175.4-170-2000106.7I228I228-D231 HydrophobicContact CG2-CB 3.98Å
232G96.7Very high97.2Very high9 Ų945 Ų459%0.09324%0.235CC..EExtended strand (participates in β ladder)trans-135.8-179.8-174.200000112N219 I220N219-G232 CarbonylContact C-O 3.48Å; N219-G232 WeakPolarHBondContact CA-O 3.44Å; I220-G232 PolarHBondContact N-O 2.74Å; I220-G232 PolarHBondContact O-N 3.04Å
233N97.6Very high97.1Very high29 Ų2947.5 Ų47.516%0.15525%0.247CC..EExtended strand (participates in β ladder)trans-136.1138.1-177.6-173.3-78000111.8Y102 V218 N219 G235 E236Y102-N233 WeakPolarHBondContact CE1-O 3.33Å; V218-N233 WeakPolarHBondContact O-CA 3.49Å; V218-N233 PolarHBondContact O-ND2 3.33Å; N219-N233 PolarHBondContact OD1-ND2 3.32Å; N233-G235 PolarHBondContact O-N 3.22Å; N233-G235 WeakPolarHBondContact OD1-CA 3.31Å; N233-G235 PolarHBondContact OD1-N 2.87Å; N233-E236 PolarHBondContact N-OE2 2.72Å; N233-E236 WeakPolarHBondContact O-CB 3.38Å; N233-E236 WeakPolarHBondContact O-CG 3.37Å; N233-E236 PolarHBondContact O-N 2.8Å
234T96.8Very high97.1Very high0 Ų044.1 Ų44.10%023%0.232CC..G310 helixtrans-61.5-15.1-179.555.80000114.3Y102 L149 P215 E216 N217 V218 I220 E236 M237Y102-T234 WeakPolarHBondContact OH-CA 3.35Å; L149-T234 HydrophobicContact CB-CG2 4.15Å; L149-T234 HydrophobicContact CD2-CG2 4.14Å; P215-T234 WeakPolarHBondContact O-CB 3.43Å; P215-T234 PolarHBondContact O-OG1 3.07Å; E216-T234 VanDerWaalsContact CA-OG1 3.31Å; E216-T234 WeakPolarHBondContact CA-OG1 3.46Å; E216-T234 CarbonylContact O-C 3.54Å; N217-T234 PolarHBondContact N-OG1 3.42Å; N217-T234 VanDerWaalsContact N-OG1 3.09Å; V218-T234 HydrophobicContact CG2-CG2 3.7Å; V218-T234 WeakPolarHBondContact CG2-OG1 3.37Å; V218-T234 PolarHBondContact N-OG1 3.38Å; V218-T234 PolarHBondContact O-N 3.02Å; V218-T234 PolarHBondContact O-OG1 3.01Å; I220-T234 HydrophobicContact CD1-CG2 3.52Å; I220-T234 HydrophobicContact CG1-CG2 3.95Å; T234-E236 PolarHBondContact O-N 2.97Å; T234-M237 WeakPolarHBondContact O-CB 2.97Å; T234-M237 WeakPolarHBondContact O-CE 3.35Å; T234-M237 VanDerWaalsContact O-CG 3.29Å; T234-M237 WeakPolarHBondContact O-CG 3.29Å; T234-M237 PolarHBondContact O-N 2.84Å
235G95.8Very high97.1Very high33 Ų3344 Ų4434%0.3423%0.232SC..G310 helixtrans-62.2-21.7170.300000113.9E216 N233 M237 K240E216-G235 WeakPolarHBondContact O-CA 3.5Å; E216-G235 PolarHBondContact O-N 2.87Å; N233-G235 PolarHBondContact O-N 3.22Å; N233-G235 WeakPolarHBondContact OD1-CA 3.31Å; N233-G235 PolarHBondContact OD1-N 2.87Å; G235-M237 VanDerWaalsContact C-N 3.3Å; G235-M237 PolarHBondContact O-N 3.35Å; G235-K240 PolarHBondContact O-NZ 3.32Å
236E94.6Very high97Very high91 Ų9143 Ų4343%0.42522%0.224SC..G310 helixtrans-83.5-4.8179.7-59.5173.5153.900113.3Y102 N233 T234 I238Y102-E236 HydrophobicContact CD1-CB 3.79Å; Y102-E236 HydrophobicContact CE1-CB 4.08Å; N233-E236 PolarHBondContact N-OE2 2.72Å; N233-E236 WeakPolarHBondContact O-CB 3.38Å; N233-E236 WeakPolarHBondContact O-CG 3.37Å; N233-E236 PolarHBondContact O-N 2.8Å; T234-E236 PolarHBondContact O-N 2.97Å; E236-I238 PolarHBondContact O-N 2.64Å
237M95.5Very high97Very high6 Ų639.6 Ų39.63%0.0321%0.205CC..BIsolated β-bridgetrans-56.4133172.9-71.3-170.5-68.600110.9N101 Y102 E216 T234 G235 K240 I241 T262N101-M237 CarbonylContact O-C 3.59Å; N101-M237 VanDerWaalsContact O-CA 3.26Å; N101-M237 WeakPolarHBondContact O-CA 3.39Å; Y102-M237 HydrophobicContact CD2-CG 4.28Å; Y102-M237 HydrophobicContact CE1-CG 4.19Å; Y102-M237 HydrophobicContact CE2-CG 3.5Å; Y102-M237 HydrophobicContact CE2-SD 4.45Å; Y102-M237 VanDerWaalsContact CZ-CG 3.46Å; Y102-M237 WeakPolarHBondContact OH-CG 3.33Å; E216-M237 HydrophobicContact CB-CE 4.35Å; E216-M237 HydrophobicContact CG-CE 3.97Å; T234-M237 WeakPolarHBondContact O-CB 2.97Å; T234-M237 WeakPolarHBondContact O-CE 3.35Å; T234-M237 VanDerWaalsContact O-CG 3.29Å; T234-M237 WeakPolarHBondContact O-CG 3.29Å; T234-M237 PolarHBondContact O-N 2.84Å; G235-M237 VanDerWaalsContact C-N 3.3Å; G235-M237 PolarHBondContact O-N 3.35Å; M237-K240 HydrophobicContact CB-CD 4.36Å; M237-K240 WeakPolarHBondContact O-CE 3.5Å; M237-K240 PolarHBondContact O-NZ 2.99Å; M237-I241 HydrophobicContact CE-CG1 4.18Å; M237-T262 HydrophobicContact SD-CG2 4.27Å
238I94.1Very high97Very high69 Ų6936.2 Ų36.235%0.35419%0.189SC..SBendtrans-74-54.8178.3-65.1157.7000110R100 N101 K103 V113 E236R100-I238 WeakPolarHBondContact O-CD1 3.47Å; N101-I238 PolarHBondContact O-N 3Å; K103-I238 HydrophobicContact CB-CD1 4.24Å; K103-I238 HydrophobicContact CB-CG1 4.25Å; V113-I238 HydrophobicContact CG1-CD1 3.45Å; V113-I238 VanDerWaalsContact CG1-CD1 3.45Å; E236-I238 PolarHBondContact O-N 2.64Å
239L94.9Very high97Very high47 Ų4731.9 Ų31.925%0.24617%0.167CC..SBendtrans-94.8127.5170-61.9178.8000109.3N101 L116 E243 L244N101-L239 PolarHBondContact ND2-O 2.56Å; N101-L239 WeakPolarHBondContact OD1-CB 3.31Å; N101-L239 PolarHBondContact OD1-N 2.77Å; L116-L239 HydrophobicContact CD1-CD1 3.44Å; L116-L239 VanDerWaalsContact CD1-CD1 3.44Å; L239-E243 HydrophobicContact CB-CB 4.28Å; L239-E243 HydrophobicContact CD2-CB 4.37Å; L239-L244 HydrophobicContact CB-CD2 3.55Å; L239-L244 HydrophobicContact CB-CG 4.24Å; L239-L244 HydrophobicContact CD1-CD2 4.09Å; L239-L244 HydrophobicContact CG-CD2 4.48Å
240K95.6Very high97Very high48 Ų4835.1 Ų35.121%0.20918%0.182CC..  trans-80.5163.6179.6-65.8-41-170.3-170.30111.7E216 G235 M237 D242 E243 L244E216-K240 WeakPolarHBondContact OE1-CB 3.26Å; E216-K240 WeakPolarHBondContact OE2-CD 3.36Å; G235-K240 PolarHBondContact O-NZ 3.32Å; M237-K240 HydrophobicContact CB-CD 4.36Å; M237-K240 WeakPolarHBondContact O-CE 3.5Å; M237-K240 PolarHBondContact O-NZ 2.99Å; K240-D242 WeakPolarHBondContact CB-OD1 3.45Å; K240-D242 PolarHBondContact O-N 3Å; K240-D242 VanDerWaalsContact O-N 3.15Å; K240-E243 PolarHBondContact N-OE2 2.73Å; K240-E243 WeakPolarHBondContact O-CA 3.27Å; K240-E243 WeakPolarHBondContact O-CB 3.39Å; K240-E243 PolarHBondContact O-N 2.9Å; K240-L244 WeakPolarHBondContact O-CG 3.4Å; K240-L244 PolarHBondContact O-N 2.88Å
241I98Very high96.9Very high0 Ų043.8 Ų43.80%022%0.216CC..Hα-helixtrans-54.6-40-171.5-68.5171.5000111.2L149 I151 L166 V169 Y172 P215 E216 M237 L244 I245L149-I241 HydrophobicContact CD2-CD1 4.31Å; I151-I241 HydrophobicContact CD1-CB 4.27Å; I151-I241 HydrophobicContact CD1-CG1 4.1Å; I151-I241 HydrophobicContact CD1-CG2 3.75Å; I151-I241 HydrophobicContact CG1-CG1 4.4Å; I151-I241 HydrophobicContact CG1-CG2 4.14Å; L166-I241 HydrophobicContact CD2-CB 4.19Å; L166-I241 HydrophobicContact CD2-CG2 3.74Å; V169-I241 HydrophobicContact CG2-CG2 4.2Å; Y172-I241 HydrophobicContact CE1-CD1 3.93Å; P215-I241 HydrophobicContact CB-CD1 3.71Å; P215-I241 HydrophobicContact CG-CD1 3.65Å; E216-I241 HydrophobicContact CG-CD1 3.77Å; E216-I241 HydrophobicContact CG-CG1 4.1Å; E216-I241 PolarHBondContact OE1-N 3.01Å; M237-I241 HydrophobicContact CE-CG1 4.18Å; I241-L244 PolarHBondContact O-N 2.88Å; I241-I245 HydrophobicContact CG2-CD1 3.97Å; I241-I245 WeakPolarHBondContact O-CG1 3.29Å; I241-I245 PolarHBondContact O-N 3.44Å; I241-I245 VanDerWaalsContact O-N 3.13Å
242D98Very high96.9Very high33 Ų3340.9 Ų40.918%0.17620%0.203CC..Hα-helixtrans-66.9-38.7178.659.8-7.5000112.9K162 A165 L166 K240 E246K162-D242 VanDerWaalsContact CE-OD1 3.32Å; K162-D242 WeakPolarHBondContact CE-OD1 3.42Å; K162-D242 WeakPolarHBondContact CE-OD2 3.24Å; K162-D242 HydrophobicContact CG-CB 3.77Å; K162-D242 VanDerWaalsContact CG-OD2 3.28Å; K162-D242 WeakPolarHBondContact CG-OD2 3.26Å; A165-D242 HydrophobicContact CB-CB 3.8Å; A165-D242 WeakPolarHBondContact CB-O 3.49Å; L166-D242 HydrophobicContact CD2-CB 4.42Å; L166-D242 HydrophobicContact CG-CB 4.45Å; K240-D242 WeakPolarHBondContact CB-OD1 3.45Å; K240-D242 PolarHBondContact O-N 3Å; K240-D242 VanDerWaalsContact O-N 3.15Å; D242-E246 WeakPolarHBondContact O-CB 3.33Å; D242-E246 PolarHBondContact O-N 3.37Å
243E97.3Very high97Very high53 Ų5341.7 Ų41.725%0.24821%0.208CC..Hα-helixtrans-68.5-41.3174.4-61.3175.7133.100112K162 L239 K240 I245 E246 E247K162-E243 HydrophobicContact CD-CG 3.87Å; K162-E243 IonicContact NZ-OE1 2.66Å; K162-E243 PolarHBondContact NZ-OE1 3.11Å; K162-E243 IonicContact NZ-OE2 2.75Å; L239-E243 HydrophobicContact CB-CB 4.28Å; L239-E243 HydrophobicContact CD2-CB 4.37Å; K240-E243 PolarHBondContact N-OE2 2.73Å; K240-E243 WeakPolarHBondContact O-CA 3.27Å; K240-E243 WeakPolarHBondContact O-CB 3.39Å; K240-E243 PolarHBondContact O-N 2.9Å; E243-I245 PolarHBondContact O-N 2.71Å; E243-E246 PolarHBondContact O-N 3.15Å; E243-E247 WeakPolarHBondContact O-CB 3.41Å; E243-E247 PolarHBondContact O-N 2.79Å
244L97.9Very high97Very high0 Ų040.3 Ų40.30%020%0.201CC..Hα-helixtrans-60.4-46.1176.9-62.6-179.9000111.1F98 I151 L239 K240 I241 E247 I248 T262F98-L244 HydrophobicContact CB-CD2 4.43Å; F98-L244 HydrophobicContact CD1-CD2 3.66Å; F98-L244 HydrophobicContact CD2-CB 4.41Å; F98-L244 HydrophobicContact CD2-CD1 4.33Å; F98-L244 HydrophobicContact CD2-CD2 3.67Å; F98-L244 HydrophobicContact CD2-CG 4.34Å; F98-L244 HydrophobicContact CE1-CD2 3.62Å; F98-L244 HydrophobicContact CE2-CB 3.71Å; F98-L244 HydrophobicContact CE2-CD1 4.43Å; F98-L244 HydrophobicContact CE2-CD2 3.58Å; F98-L244 HydrophobicContact CE2-CG 4.08Å; F98-L244 HydrophobicContact CG-CD2 3.67Å; F98-L244 HydrophobicContact CZ-CB 3.93Å; F98-L244 HydrophobicContact CZ-CD2 3.56Å; F98-L244 HydrophobicContact CZ-CG 4.31Å; I151-L244 HydrophobicContact CD1-CD1 4.31Å; L239-L244 HydrophobicContact CB-CD2 3.55Å; L239-L244 HydrophobicContact CB-CG 4.24Å; L239-L244 HydrophobicContact CD1-CD2 4.09Å; L239-L244 HydrophobicContact CG-CD2 4.48Å; K240-L244 WeakPolarHBondContact O-CG 3.4Å; K240-L244 PolarHBondContact O-N 2.88Å; I241-L244 PolarHBondContact O-N 2.88Å; L244-E247 PolarHBondContact O-N 2.8Å; L244-I248 WeakPolarHBondContact O-CG1 3.31Å; L244-I248 PolarHBondContact O-N 3.03Å; L244-T262 HydrophobicContact CD1-CG2 3.79Å
245I98.5Very high97.1Very high0 Ų043.6 Ų43.60%022%0.216CC..Hα-helixtrans-67.2-45.4178-71.4164000111.2I151 I153 I160 A165 V169 I241 E243 E247 S249 L254 I260I151-I245 HydrophobicContact CG2-CD1 4.4Å; I153-I245 HydrophobicContact CD1-CD1 4.31Å; I153-I245 HydrophobicContact CD1-CG1 4.3Å; I160-I245 HydrophobicContact CB-CG2 4.33Å; I160-I245 HydrophobicContact CD1-CG2 4.03Å; I160-I245 HydrophobicContact CG2-CG2 4.21Å; A165-I245 HydrophobicContact CB-CB 3.93Å; A165-I245 HydrophobicContact CB-CD1 4.32Å; A165-I245 HydrophobicContact CB-CG2 3.79Å; V169-I245 HydrophobicContact CG2-CD1 3.61Å; I241-I245 HydrophobicContact CG2-CD1 3.97Å; I241-I245 WeakPolarHBondContact O-CG1 3.29Å; I241-I245 PolarHBondContact O-N 3.44Å; I241-I245 VanDerWaalsContact O-N 3.13Å; E243-I245 PolarHBondContact O-N 2.71Å; I245-E247 VanDerWaalsContact C-N 3.29Å; I245-E247 PolarHBondContact O-N 3.5Å; I245-S249 WeakPolarHBondContact O-CB 3.15Å; I245-S249 PolarHBondContact O-N 3.06Å; I245-S249 PolarHBondContact O-OG 3.28Å; I245-L254 HydrophobicContact CG2-CD1 4.01Å; I245-I260 HydrophobicContact CG1-CD1 3.88Å
246E98.1Very high97.2Very high57 Ų5742.4 Ų42.427%0.26620%0.202SC..Hα-helixtrans-58.5-44.9176.7176.9175.3-111.200110.7I160 K162 D242 E243 S249 K250I160-E246 WeakPolarHBondContact O-CA 3.15Å; I160-E246 WeakPolarHBondContact O-CG 3.33Å; K162-E246 HydrophobicContact CB-CB 4.41Å; K162-E246 PolarHBondContact N-OE1 3.25Å; D242-E246 WeakPolarHBondContact O-CB 3.33Å; D242-E246 PolarHBondContact O-N 3.37Å; E243-E246 PolarHBondContact O-N 3.15Å; E246-S249 PolarHBondContact O-OG 3.2Å; E246-K250 WeakPolarHBondContact O-CG 3.22Å; E246-K250 PolarHBondContact O-N 3.25Å
247E97.3Very high97.4Very high44 Ų4438 Ų3821%0.20618%0.182CC..Hα-helixtrans-66-48.9-178.2-171.457.8-153.300112.4L116 E243 L244 I245 S249 K250 Y251L116-E247 HydrophobicContact CD2-CG 3.4Å; E243-E247 WeakPolarHBondContact O-CB 3.41Å; E243-E247 PolarHBondContact O-N 2.79Å; L244-E247 PolarHBondContact O-N 2.8Å; I245-E247 VanDerWaalsContact C-N 3.29Å; I245-E247 PolarHBondContact O-N 3.5Å; E247-S249 VanDerWaalsContact C-N 3.34Å; E247-S249 PolarHBondContact O-N 3.44Å; E247-K250 WeakPolarHBondContact O-CB 3.19Å; E247-K250 PolarHBondContact O-N 3.22Å; E247-K250 IonicContact OE2-NZ 2.71Å; E247-K250 PolarHBondContact OE2-NZ 2.92Å; E247-Y251 WeakPolarHBondContact O-CD2 3.44Å
248I97.7Very high97.6Very high9 Ų937.8 Ų37.85%0.04618%0.181CC..Hα-helixtrans-60.6-46.9177.2-72.4165.8000110.7I96 F98 L244 K250 Y251 V252 L254 I260I96-I248 HydrophobicContact CB-CD1 4.19Å; I96-I248 HydrophobicContact CD1-CG2 3.78Å; I96-I248 HydrophobicContact CG2-CD1 3.53Å; I96-I248 HydrophobicContact CG2-CG1 3.99Å; F98-I248 HydrophobicContact CD2-CD1 4.39Å; F98-I248 HydrophobicContact CE2-CD1 3.31Å; F98-I248 HydrophobicContact CE2-CG1 3.83Å; F98-I248 HydrophobicContact CZ-CD1 3.73Å; F98-I248 HydrophobicContact CZ-CG1 3.68Å; L244-I248 WeakPolarHBondContact O-CG1 3.31Å; L244-I248 PolarHBondContact O-N 3.03Å; I248-K250 PolarHBondContact O-N 2.81Å; I248-K250 VanDerWaalsContact O-N 3.12Å; I248-Y251 PolarHBondContact O-N 3.37Å; I248-V252 HydrophobicContact CG2-CB 3.92Å; I248-V252 HydrophobicContact CG2-CG2 4.4Å; I248-V252 PolarHBondContact O-N 3.39Å; I248-L254 HydrophobicContact CG2-CD2 3.74Å; I248-L254 HydrophobicContact CG2-CG 4.35Å; I248-I260 HydrophobicContact CD1-CB 4.39Å; I248-I260 HydrophobicContact CD1-CD1 3.68Å; I248-I260 HydrophobicContact CD1-CG1 3.77Å; I248-I260 HydrophobicContact CD1-CG2 3.72Å
249S98.2Very high97.8Very high2 Ų234.6 Ų34.61%0.01416%0.164CC..Hα-helixtrans-68.5-14.6-17168.70000113.8K159 I160 I245 E246 E247 Y251 V252K159-S249 WeakPolarHBondContact CA-O 3.4Å; K159-S249 PolarHBondContact N-O 2.79Å; I160-S249 WeakPolarHBondContact CB-OG 3.42Å; I160-S249 PolarHBondContact N-OG 2.94Å; I245-S249 WeakPolarHBondContact O-CB 3.15Å; I245-S249 PolarHBondContact O-N 3.06Å; I245-S249 PolarHBondContact O-OG 3.28Å; E246-S249 PolarHBondContact O-OG 3.2Å; E247-S249 VanDerWaalsContact C-N 3.34Å; E247-S249 PolarHBondContact O-N 3.44Å; S249-Y251 PolarHBondContact O-N 3.06Å; S249-V252 WeakPolarHBondContact CA-O 3.43Å
250K97.7Very high98Very high93 Ų9332.4 Ų32.440%0.40415%0.153SC..THydrogen-bonded Turntrans-59.7-30.2168.3-72.3165.2-166.3170.10112.5E246 E247 I248E246-K250 WeakPolarHBondContact O-CG 3.22Å; E246-K250 PolarHBondContact O-N 3.25Å; E247-K250 WeakPolarHBondContact O-CB 3.19Å; E247-K250 PolarHBondContact O-N 3.22Å; E247-K250 IonicContact OE2-NZ 2.71Å; E247-K250 PolarHBondContact OE2-NZ 2.92Å; I248-K250 PolarHBondContact O-N 2.81Å; I248-K250 VanDerWaalsContact O-N 3.12Å
251Y97.3Very high98.1Very high182 Ų18230.1 Ų30.171%0.71414%0.143SC*.THydrogen-bonded Turntrans-119.1-32.1-170.2-53.9-79.4000113.6E247 I248 S249E247-Y251 WeakPolarHBondContact O-CD2 3.44Å; I248-Y251 PolarHBondContact O-N 3.37Å; S249-Y251 PolarHBondContact O-N 3.06Å
252V97.7Very high98.1Very high54 Ų5430.1 Ų30.133%0.32714%0.143SC..SBendtrans-123.2128.1-173.4-176.40000109.5I96 I248 S249 L254I96-V252 HydrophobicContact CD1-CG1 4.14Å; I248-V252 HydrophobicContact CG2-CB 3.92Å; I248-V252 HydrophobicContact CG2-CG2 4.4Å; I248-V252 PolarHBondContact O-N 3.39Å; S249-V252 WeakPolarHBondContact CA-O 3.43Å; V252-L254 PolarHBondContact O-N 3.15Å
253A98.2Very high98Very high26 Ų2628.6 Ų28.622%0.21514%0.135CC..  trans-66.4123.2168.700000109.5N93 E158N93-A253 PolarHBondContact ND2-O 3.08Å; N93-A253 VanDerWaalsContact ND2-O 3.14Å; E158-A253 HydrophobicContact CG-CB 3.47Å; E158-A253 VanDerWaalsContact CG-CB 3.47Å
254L98.6Very high98Very high0 Ų026.1 Ų26.10%012%0.124CC..BIsolated β-bridgetrans-88.6142174.9-65.6-179.4000109.7I96 I153 S156 G157 I160 I245 I248 V252 D258 I260I96-L254 HydrophobicContact CD1-CD2 4.28Å; I153-L254 HydrophobicContact CD1-CD1 4.05Å; I153-L254 HydrophobicContact CG1-CB 4.47Å; I153-L254 HydrophobicContact CG1-CD1 4.3Å; I153-L254 HydrophobicContact CG2-CB 4.22Å; S156-L254 CarbonylContact C-O 3.58Å; S156-L254 WeakPolarHBondContact CA-O 3.24Å; G157-L254 PolarHBondContact N-O 2.9Å; G157-L254 PolarHBondContact O-N 2.97Å; I160-L254 HydrophobicContact CD1-CD1 4.04Å; I245-L254 HydrophobicContact CG2-CD1 4.01Å; I248-L254 HydrophobicContact CG2-CD2 3.74Å; I248-L254 HydrophobicContact CG2-CG 4.35Å; V252-L254 PolarHBondContact O-N 3.15Å; L254-D258 WeakPolarHBondContact CA-OD2 3.37Å; L254-I260 HydrophobicContact CD1-CD1 4.38Å
255H98.3Very high97.9Very high69 Ų6926.2 Ų26.232%0.31912%0.124SC..  trans-128.7151-178.3-59.9-58000111.1P92 I153 G257 D258P92-H255 HydrophobicContact CB-CB 4.26Å; P92-H255 HydrophobicContact CG-CB 4.15Å; I153-H255 WeakPolarHBondContact CB-O 3.49Å; I153-H255 WeakPolarHBondContact CG2-O 3.27Å; H255-G257 PolarHBondContact O-N 2.97Å; H255-D258 PolarHBondContact N-OD2 2.85Å; H255-D258 VanDerWaalsContact O-CB 3.28Å; H255-D258 WeakPolarHBondContact O-CB 3.45Å; H255-D258 PolarHBondContact O-N 3.07Å
256P98.5Very high97.8Very high7 Ų727.8 Ų27.85%0.04514%0.137CC..THydrogen-bonded Turntrans-55.2128.6173.1-23.331.6000111.6L45 L48 Q49 I153 S156L45-P256 WeakPolarHBondContact CD1-O 3.32Å; L48-P256 HydrophobicContact CB-CB 4.32Å; L48-P256 WeakPolarHBondContact O-CB 3.4Å; Q49-P256 HydrophobicContact CG-CB 4.1Å; I153-P256 CarbonylContact O-C 3.54Å; I153-P256 VanDerWaalsContact O-CA 3.31Å; I153-P256 WeakPolarHBondContact O-CA 3.14Å; S156-P256 WeakPolarHBondContact OG-CD 3.21Å
257G98.3Very high97.7Very high0 Ų025.7 Ų25.70%013%0.131CC..THydrogen-bonded Turntrans93.8-9.3-173.500000114.9P91 I153 H255P91-G257 WeakPolarHBondContact CA-O 3.37Å; P91-G257 WeakPolarHBondContact CB-O 3.36Å; I153-G257 PolarHBondContact O-N 2.75Å; H255-G257 PolarHBondContact O-N 2.97Å
258D98.6Very high97.7Very high1 Ų123.6 Ų23.61%0.00512%0.121CC..  trans-61.7147.7169.7-77.8-20.8000110.9P92 N93 V152 I153 L254 H255P92-D258 VanDerWaalsContact CD-OD1 3.31Å; P92-D258 WeakPolarHBondContact CD-OD1 3.08Å; N93-D258 WeakPolarHBondContact CB-OD1 3.3Å; N93-D258 PolarHBondContact N-OD1 2.82Å; N93-D258 PolarHBondContact ND2-OD1 2.89Å; N93-D258 PolarHBondContact ND2-OD2 3.09Å; V152-D258 WeakPolarHBondContact CA-O 3.4Å; I153-D258 HydrophobicContact CB-CB 4.14Å; I153-D258 HydrophobicContact CG1-CB 4.01Å; I153-D258 PolarHBondContact N-O 2.75Å; L254-D258 WeakPolarHBondContact CA-OD2 3.37Å; H255-D258 PolarHBondContact N-OD2 2.85Å; H255-D258 VanDerWaalsContact O-CB 3.28Å; H255-D258 WeakPolarHBondContact O-CB 3.45Å; H255-D258 PolarHBondContact O-N 3.07Å
259I98.7Very high97.7Very high2 Ų223.2 Ų23.21%0.0112%0.119CC..EExtended strand (participates in β ladder)trans-122.6131.4-176.9-61.8179.1000109.5V89 P91 V95 I96 I151 V152 I175 M202V89-I259 HydrophobicContact CG2-CD1 3.78Å; V89-I259 HydrophobicContact CG2-CG1 4.26Å; P91-I259 HydrophobicContact CB-CG1 4.41Å; V95-I259 HydrophobicContact CG1-CB 4.4Å; V95-I259 HydrophobicContact CG1-CG2 4.02Å; V95-I259 HydrophobicContact CG2-CB 4.37Å; I96-I259 PolarHBondContact N-O 3.29Å; I151-I259 VanDerWaalsContact O-CA 3.3Å; I151-I259 WeakPolarHBondContact O-CA 3.39Å; V152-I259 HydrophobicContact CG2-CG1 4.5Å; I175-I259 HydrophobicContact CD1-CG2 3.56Å; M202-I259 HydrophobicContact CE-CD1 3.41Å; M202-I259 VanDerWaalsContact CE-CD1 3.41Å; M202-I259 HydrophobicContact CE-CG2 4.39Å; M202-I259 HydrophobicContact SD-CD1 3.47Å; M202-I259 WeakPolarHBondContact SD-CD1 3.48Å
260I98.7Very high97.6Very high0 Ų024.2 Ų24.20%013%0.128CC..EExtended strand (participates in β ladder)trans-115.2116.4172.7-55.4166.4000108.8I96 F98 G150 I151 I153 I245 I248 L254I96-I260 CarbonylContact O-C 3.5Å; I96-I260 WeakPolarHBondContact O-CA 3.21Å; F98-I260 HydrophobicContact CD2-CG2 3.95Å; F98-I260 HydrophobicContact CE2-CG2 3.79Å; G150-I260 CarbonylContact C-O 3.52Å; G150-I260 WeakPolarHBondContact CA-O 3.41Å; I151-I260 HydrophobicContact CB-CB 4.22Å; I151-I260 HydrophobicContact CD1-CB 4.2Å; I151-I260 HydrophobicContact CD1-CG2 4.26Å; I151-I260 PolarHBondContact N-O 3.43Å; I151-I260 PolarHBondContact O-N 2.82Å; I153-I260 HydrophobicContact CD1-CD1 4.03Å; I153-I260 HydrophobicContact CG1-CD1 4.46Å; I245-I260 HydrophobicContact CG1-CD1 3.88Å; I248-I260 HydrophobicContact CD1-CB 4.39Å; I248-I260 HydrophobicContact CD1-CD1 3.68Å; I248-I260 HydrophobicContact CD1-CG1 3.77Å; I248-I260 HydrophobicContact CD1-CG2 3.72Å; L254-I260 HydrophobicContact CD1-CD1 4.38Å
261A98.4Very high97.4Very high0 Ų020.5 Ų20.50%012%0.116CC..EExtended strand (participates in β ladder)trans-84.7126.3171.200000109.4V95 I96 A97 F98 E148 I175V95-A261 HydrophobicContact CG1-CB 4.31Å; I96-A261 PolarHBondContact O-N 3.29Å; A97-A261 WeakPolarHBondContact CA-O 3.24Å; A97-A261 HydrophobicContact CB-CB 3.83Å; F98-A261 PolarHBondContact N-O 3.3Å; E148-A261 VanDerWaalsContact OE2-CB 3.22Å; E148-A261 WeakPolarHBondContact OE2-CB 3.18Å; I175-A261 HydrophobicContact CD1-CB 3.65Å
262T97.9Very high97.2Very high0 Ų014.2 Ų14.20%09%0.093CC..  trans-89-1.8-164.861.70000114.8N101 E148 L149 I151 M237 L244N101-T262 WeakPolarHBondContact CB-O 3.13Å; N101-T262 PolarHBondContact ND2-O 3.23Å; E148-T262 PolarHBondContact OE2-N 2.81Å; L149-T262 WeakPolarHBondContact O-CG2 3.47Å; L149-T262 PolarHBondContact O-N 3Å; L149-T262 VanDerWaalsContact O-N 3.13Å; L149-T262 PolarHBondContact O-OG1 3.43Å; I151-T262 HydrophobicContact CD1-CG2 3.55Å; I151-T262 HydrophobicContact CG1-CG2 3.86Å; M237-T262 HydrophobicContact SD-CG2 4.27Å; L244-T262 HydrophobicContact CD1-CG2 3.79Å
263G96.4Very high97Very high1 Ų119.8 Ų19.81%0.0112%0.116CC..  trans95.5164.6-167.800000112.6F98 Y102 E148F98-G263 WeakPolarHBondContact O-CA 3.47Å; F98-G263 PolarHBondContact O-N 3.48Å; Y102-G263 VanDerWaalsContact CE2-O 3.27Å; Y102-G263 WeakPolarHBondContact CE2-O 3.41Å; E148-G263 VanDerWaalsContact CD-N 3.34Å; E148-G263 WeakPolarHBondContact CG-O 3.34Å; E148-G263 WeakPolarHBondContact OE1-CA 3.48Å; E148-G263 VanDerWaalsContact OE2-CA 3.31Å; E148-G263 WeakPolarHBondContact OE2-CA 3.38Å; E148-G263 PolarHBondContact OE2-N 2.73Å
264T97.2Very high96.8Very high2 Ų223.7 Ų23.71%0.01214%0.139CC..  trans-111.4148-174.7177.40000112.5Y102 H105 E146 G147 E148 Q230 V268Y102-T264 WeakPolarHBondContact CB-O 3.26Å; Y102-T264 VanDerWaalsContact CD2-C 3.48Å; Y102-T264 VanDerWaalsContact CD2-O 3.23Å; Y102-T264 WeakPolarHBondContact CD2-O 3.46Å; Y102-T264 VanDerWaalsContact CG-O 3.32Å; H105-T264 WeakPolarHBondContact CB-O 3.34Å; E146-T264 HydrophobicContact CB-CG2 3.77Å; E146-T264 HydrophobicContact CG-CG2 3.82Å; G147-T264 PolarHBondContact O-OG1 2.89Å; E148-T264 PolarHBondContact OE1-N 2.86Å; Q230-T264 PolarHBondContact NE2-OG1 3.42Å; T264-V268 HydrophobicContact CG2-CG1 4.12Å
265P96.2Very high96.7Very high2 Ų226.8 Ų26.81%0.01316%0.159CC..  trans-67.6172.7165.131.4-36.3000112Y102 G147 Q230Y102-P265 HydrophobicContact CD1-CB 4.01Å; Y102-P265 HydrophobicContact CE1-CB 4.12Å; G147-P265 WeakPolarHBondContact O-CD 3.36Å; Q230-P265 HydrophobicContact CB-CG 4.39Å; Q230-P265 PolarHBondContact NE2-O 2.94Å
266A94.9Very high96.7Very high32 Ų3227.8 Ų27.826%0.26416%0.162SC..SBendtrans-64.3168.8176.500000112.4D104 H105 E108 Q230D104-A266 HydrophobicContact CB-CB 4.21Å; H105-A266 HydrophobicContact CB-CB 4.44Å; E108-A266 VanDerWaalsContact OE2-CA 3.3Å; E108-A266 WeakPolarHBondContact OE2-CA 3.16Å; Q230-A266 WeakPolarHBondContact CG-O 3.44Å
267G96Very high96.7Very high14 Ų1429.1 Ų29.114%0.14417%0.168CC..  trans98.116.4-179.800000114.2E108 Y145 R229 Q230E108-G267 VanDerWaalsContact CD-N 3.32Å; E108-G267 WeakPolarHBondContact OE1-CA 3.29Å; E108-G267 PolarHBondContact OE1-N 2.86Å; E108-G267 PolarHBondContact OE2-N 3.49Å; Y145-G267 WeakPolarHBondContact CE2-O 3.41Å; Y145-G267 PolarHBondContact OH-O 2.79Å; R229-G267 CarbonylContact O-C 3.6Å; R229-G267 VanDerWaalsContact O-CA 3.29Å; R229-G267 WeakPolarHBondContact O-CA 3.41Å; R229-G267 VanDerWaalsContact O-O 3.09Å; Q230-G267 WeakPolarHBondContact CG-O 3.47Å
268V97.5Very high96.7Very high0 Ų029.3 Ų29.30%017%0.169CC..  trans-63153.4171.6-59.30000109.9L109 E146 T264 A270 G271L109-V268 HydrophobicContact CD1-CG2 4.29Å; L109-V268 HydrophobicContact CD2-CG2 4.2Å; L109-V268 HydrophobicContact CG-CG2 4.47Å; E146-V268 HydrophobicContact CG-CG1 3.94Å; T264-V268 HydrophobicContact CG2-CG1 4.12Å; V268-A270 HydrophobicContact CG2-CB 4.26Å; V268-A270 PolarHBondContact O-N 3.02Å; V268-G271 PolarHBondContact O-N 2.89Å
269G97.3Very high96.7Very high0 Ų033.1 Ų33.10%019%0.186CC..G310 helixtrans-56.6-35.5-177.800000113.1D144 Y145 G271 M272 P275 K276D144-G269 VanDerWaalsContact OD1-CA 3.24Å; D144-G269 WeakPolarHBondContact OD1-CA 3.32Å; D144-G269 PolarHBondContact OD1-N 3.26Å; D144-G269 PolarHBondContact OD2-N 2.89Å; Y145-G269 PolarHBondContact OH-N 2.82Å; G269-G271 VanDerWaalsContact C-N 3.29Å; G269-G271 PolarHBondContact O-N 3.44Å; G269-M272 PolarHBondContact O-N 2.9Å; G269-P275 CarbonylContact O-C 3.53Å; G269-P275 VanDerWaalsContact O-CA 3.26Å; G269-P275 WeakPolarHBondContact O-CA 3.49Å; G269-K276 WeakPolarHBondContact CA-O 3.3Å; G269-K276 PolarHBondContact O-N 2.95Å
270A96.6Very high96.7Very high24 Ų2435.2 Ų35.220%0.19820%0.2CC..G310 helixtrans-64-28.8174.500000114.4L109 D144 R181 V268 F277L109-A270 HydrophobicContact CD2-CB 3.91Å; D144-A270 PolarHBondContact OD2-N 3.12Å; R181-A270 HydrophobicContact CG-CB 4.19Å; V268-A270 HydrophobicContact CG2-CB 4.26Å; V268-A270 PolarHBondContact O-N 3.02Å; A270-F277 HydrophobicContact CB-CE1 3.91Å; A270-F277 HydrophobicContact CB-CZ 4.35Å
271G93.5Very high96.7Very high15 Ų1536.8 Ų36.816%0.15522%0.217CC..G310 helixtrans-83.1-15.3-177.400000114.2V268 G269V268-G271 PolarHBondContact O-N 2.89Å; G269-G271 VanDerWaalsContact C-N 3.29Å; G269-G271 PolarHBondContact O-N 3.44Å
272M94.6Very high96.7Very high49 Ų4937.8 Ų37.824%0.24122%0.222CC..SBendtrans-69.3158.2178.6-60.2-176.373.800112.1R229 G269 P274 P275 K276R229-M272 PolarHBondContact NH1-SD 2.73Å; G269-M272 PolarHBondContact O-N 2.9Å; M272-P274 CarbonylContact C-O 3.5Å; M272-P274 VanDerWaalsContact C-O 3.28Å; M272-P274 WeakPolarHBondContact CB-O 3.28Å; M272-P274 CarbonylContact O-C 3.49Å; M272-P275 WeakPolarHBondContact O-CA 3.21Å; M272-P275 WeakPolarHBondContact O-CD 2.89Å; M272-K276 HydrophobicContact CE-CB 4.36Å; M272-K276 HydrophobicContact CE-CD 4.2Å; M272-K276 HydrophobicContact SD-CB 3.77Å; M272-K276 HydrophobicContact SD-CD 4.47Å
273Q91.7Very high96.7Very high172 Ų17239.4 Ų39.480%0.80423%0.229SC*.SBendtrans-125.1104.2177.8-64.8-61-28.200111
274P94.6Very high96.9Very high107 Ų10739.3 Ų39.370%0.69523%0.229SC*.SBendcis-69.1162.4-5.732.2-36.5000112.5M272M272-P274 CarbonylContact C-O 3.5Å; M272-P274 VanDerWaalsContact C-O 3.28Å; M272-P274 WeakPolarHBondContact CB-O 3.28Å; M272-P274 CarbonylContact O-C 3.49Å
275P97.1Very high96.9Very high65 Ų6541.7 Ų41.742%0.42224%0.239SC..  trans-55142173.7-28.235.9000112G269 M272 F277G269-P275 CarbonylContact O-C 3.53Å; G269-P275 VanDerWaalsContact O-CA 3.26Å; G269-P275 WeakPolarHBondContact O-CA 3.49Å; M272-P275 WeakPolarHBondContact O-CA 3.21Å; M272-P275 WeakPolarHBondContact O-CD 2.89Å; P275-F277 HydrophobicContact CB-CE2 3.98Å; P275-F277 HydrophobicContact CB-CZ 3.97Å
276K97.8Very high97.1Very high90 Ų9041.7 Ų41.739%0.39124%0.239SC..  trans-136.683.2-174.3-167.3177.6178.8-165.50111.5E227 R229 G269 M272E227-K276 IonicContact OE1-NZ 2.97Å; E227-K276 PolarHBondContact OE1-NZ 3.06Å; E227-K276 IonicContact OE2-NZ 3.28Å; E227-K276 PolarHBondContact OE2-NZ 3.42Å; R229-K276 PolarHBondContact NH1-O 3.44Å; R229-K276 VanDerWaalsContact NH2-CD 3.28Å; G269-K276 WeakPolarHBondContact CA-O 3.3Å; G269-K276 PolarHBondContact O-N 2.95Å; M272-K276 HydrophobicContact CE-CB 4.36Å; M272-K276 HydrophobicContact CE-CD 4.2Å; M272-K276 HydrophobicContact SD-CB 3.77Å; M272-K276 HydrophobicContact SD-CD 4.47Å
277F98.5Very high97.3Very high35 Ų3542.1 Ų42.115%0.15424%0.238CC..  trans-74159.2178.6-57.7-59.8000113.5Q142 L143 D144 R181 A270 P275 Q279Q142-F277 HydrophobicContact CB-CD1 4.12Å; Q142-F277 HydrophobicContact CB-CD2 3.9Å; Q142-F277 HydrophobicContact CB-CE1 3.99Å; Q142-F277 HydrophobicContact CB-CE2 3.74Å; Q142-F277 HydrophobicContact CB-CG 4.09Å; Q142-F277 HydrophobicContact CB-CZ 3.79Å; Q142-F277 HydrophobicContact CG-CD2 3.92Å; Q142-F277 HydrophobicContact CG-CE2 3.57Å; Q142-F277 HydrophobicContact CG-CZ 3.98Å; L143-F277 WeakPolarHBondContact O-CB 3.23Å; D144-F277 HydrophobicContact CB-CD1 4.25Å; R181-F277 HydrophobicContact CB-CE1 4.29Å; R181-F277 HydrophobicContact CG-CE1 3.94Å; A270-F277 HydrophobicContact CB-CE1 3.91Å; A270-F277 HydrophobicContact CB-CZ 4.35Å; P275-F277 HydrophobicContact CB-CE2 3.98Å; P275-F277 HydrophobicContact CB-CZ 3.97Å; F277-Q279 PolarHBondContact O-NE2 3.18Å
278L98.7Very high97.4Very high4 Ų441.5 Ų41.52%0.02123%0.231CC..  trans-60.3138.9176.5-66.9171.9000111.6L143 Y145 V224 D282 V284 I298L143-L278 HydrophobicContact CB-CB 4.31Å; L143-L278 HydrophobicContact CD2-CB 4.36Å; L143-L278 HydrophobicContact CD2-CD1 4.32Å; L143-L278 HydrophobicContact CG-CB 4.5Å; L143-L278 HydrophobicContact CG-CD1 4.28Å; L143-L278 WeakPolarHBondContact O-CB 3.35Å; L143-L278 PolarHBondContact O-N 3.34Å; Y145-L278 HydrophobicContact CD1-CD1 4.41Å; Y145-L278 HydrophobicContact CD1-CD2 3.73Å; Y145-L278 HydrophobicContact CD1-CG 3.97Å; Y145-L278 HydrophobicContact CE1-CD2 4.45Å; V224-L278 HydrophobicContact CG1-CD2 4.13Å; V224-L278 HydrophobicContact CG2-CD2 3.99Å; L278-D282 HydrophobicContact CD2-CB 4.38Å; L278-V284 HydrophobicContact CD1-CG2 4.29Å; L278-V284 HydrophobicContact CD2-CG2 3.48Å; L278-V284 VanDerWaalsContact CD2-CG2 3.48Å; L278-I298 HydrophobicContact CB-CG1 4.35Å; L278-I298 HydrophobicContact CD1-CD1 4.16Å; L278-I298 HydrophobicContact CD1-CG1 4.47Å
279Q98.5Very high97.3Very high81 Ų8145 Ų4538%0.37925%0.25SC..  trans-118156.4178.8-58-51.7-46.300111.7F277 G281 D282 I298F277-Q279 PolarHBondContact O-NE2 3.18Å; Q279-G281 PolarHBondContact O-N 2.75Å; Q279-D282 PolarHBondContact N-OD2 3.17Å; Q279-D282 VanDerWaalsContact O-CB 3.3Å; Q279-D282 WeakPolarHBondContact O-CB 3.26Å; Q279-D282 VanDerWaalsContact O-CG 3.32Å; Q279-D282 PolarHBondContact O-N 3.32Å; Q279-D282 VanDerWaalsContact O-N 3.07Å; Q279-I298 WeakPolarHBondContact O-CB 3.13Å
280P98.6Very high97.2Very high47 Ų4750.1 Ų50.131%0.30528%0.278SS..THydrogen-bonded Turntrans-51.3128.5171-26.735.4000111.9N135 K137 A299N135-P280 HydrophobicContact CB-CB 4.43Å; N135-P280 HydrophobicContact CB-CG 4Å; K137-P280 HydrophobicContact CG-CG 4.15Å; P280-A299 WeakPolarHBondContact CA-O 3.47Å; P280-A299 WeakPolarHBondContact CB-O 3.44Å
281G98.4Very high97.2Very high33 Ų3349 Ų4934%0.3427%0.268SS..THydrogen-bonded Turntrans90-3.4-177.500000115.8Q279 I298Q279-G281 PolarHBondContact O-N 2.75Å; G281-I298 VanDerWaalsContact CA-O 3.31Å; G281-I298 WeakPolarHBondContact CA-O 3.38Å; G281-I298 PolarHBondContact N-O 2.66Å
282D98.8Very high97.4Very high20 Ų2049.3 Ų49.311%0.10727%0.271CS..  trans-66.6139.5175.9-77.4-13.2000111.9V224 N225 L278 Q279 Y297 I298V224-D282 HydrophobicContact CG1-CB 4.12Å; N225-D282 PolarHBondContact ND2-OD1 3.15Å; L278-D282 HydrophobicContact CD2-CB 4.38Å; Q279-D282 PolarHBondContact N-OD2 3.17Å; Q279-D282 VanDerWaalsContact O-CB 3.3Å; Q279-D282 WeakPolarHBondContact O-CB 3.26Å; Q279-D282 VanDerWaalsContact O-CG 3.32Å; Q279-D282 PolarHBondContact O-N 3.32Å; Q279-D282 VanDerWaalsContact O-N 3.07Å; D282-Y297 CarbonylContact O-C 3.56Å; D282-Y297 WeakPolarHBondContact O-CA 3.42Å; D282-I298 HydrophobicContact CB-CB 4.47Å; D282-I298 HydrophobicContact CB-CG1 4.15Å; D282-I298 PolarHBondContact O-N 3.28Å
283E98.8Very high97.6Very high34 Ų3449.4 Ų49.416%0.15928%0.275CS..EExtended strand (participates in β ladder)trans-96.6128.2165.4179.9-167.673.800109.1V224 N225 K285 T295 Y297V224-E283 CarbonylContact C-O 3.48Å; V224-E283 VanDerWaalsContact CA-O 3.29Å; V224-E283 WeakPolarHBondContact CA-O 3.4Å; N225-E283 PolarHBondContact N-O 3.01Å; N225-E283 PolarHBondContact OD1-N 3.17Å; E283-K285 HydrophobicContact CG-CG 4.36Å; E283-K285 VanDerWaalsContact OE1-CE 3.27Å; E283-K285 WeakPolarHBondContact OE1-CE 3.36Å; E283-K285 IonicContact OE1-NZ 3.56Å; E283-K285 PolarHBondContact OE1-NZ 3.31Å; E283-K285 VanDerWaalsContact OE2-CE 3.28Å; E283-K285 WeakPolarHBondContact OE2-CE 3.35Å; E283-K285 IonicContact OE2-NZ 3.7Å; E283-K285 PolarHBondContact OE2-NZ 2.76Å; E283-T295 HydrophobicContact CG-CG2 3.99Å; E283-Y297 HydrophobicContact CB-CD1 4.08Å; E283-Y297 HydrophobicContact CB-CE1 4.17Å; E283-Y297 HydrophobicContact CG-CD1 4.07Å; E283-Y297 HydrophobicContact CG-CE1 3.75Å
284V98.9Very high97.9Very high0 Ų041.4 Ų41.40%024%0.237CC..EExtended strand (participates in β ladder)trans-113.9128.1174.8-1690000109.2T222 K223 V224 L278 T295 T296T222-V284 HydrophobicContact CG2-CG1 4.02Å; K223-V284 CarbonylContact O-C 3.48Å; K223-V284 WeakPolarHBondContact O-CA 3.34Å; V224-V284 HydrophobicContact CG2-CG1 4.46Å; V224-V284 HydrophobicContact CG2-CG2 4.4Å; L278-V284 HydrophobicContact CD1-CG2 4.29Å; L278-V284 HydrophobicContact CD2-CG2 3.48Å; L278-V284 VanDerWaalsContact CD2-CG2 3.48Å; V284-T295 CarbonylContact O-C 3.56Å; V284-T295 VanDerWaalsContact O-CA 3.31Å; V284-T295 WeakPolarHBondContact O-CA 3.46Å; V284-T296 PolarHBondContact N-O 3.33Å; V284-T296 PolarHBondContact O-N 3.25Å
285K98.9Very high98.1Very high52 Ų5236.9 Ų36.923%0.22621%0.208CC..EExtended strand (participates in β ladder)trans-123.6118.5176.9-74.1175.9171.9143.90110T222 K223 E283 T293 L294 T295T222-K285 CarbonylContact C-O 3.59Å; T222-K285 WeakPolarHBondContact CA-O 3.47Å; K223-K285 HydrophobicContact CB-CB 4.4Å; K223-K285 PolarHBondContact N-O 2.94Å; K223-K285 PolarHBondContact O-N 3.08Å; E283-K285 HydrophobicContact CG-CG 4.36Å; E283-K285 VanDerWaalsContact OE1-CE 3.27Å; E283-K285 WeakPolarHBondContact OE1-CE 3.36Å; E283-K285 IonicContact OE1-NZ 3.56Å; E283-K285 PolarHBondContact OE1-NZ 3.31Å; E283-K285 VanDerWaalsContact OE2-CE 3.28Å; E283-K285 WeakPolarHBondContact OE2-CE 3.35Å; E283-K285 IonicContact OE2-NZ 3.7Å; E283-K285 PolarHBondContact OE2-NZ 2.76Å; K285-T293 HydrophobicContact CB-CG2 4.06Å; K285-T293 HydrophobicContact CG-CG2 4.25Å; K285-L294 CarbonylContact C-O 3.51Å; K285-L294 WeakPolarHBondContact CA-O 3.4Å; K285-T295 HydrophobicContact CG-CG2 3.83Å
286V98.9Very high98.2Very high1 Ų133.9 Ų33.91%0.00619%0.188CC..EExtended strand (participates in β ladder)trans-107.4122.1170.9-173.80000108.7I174 N176 I220 V221 T222 T293 L294I174-V286 HydrophobicContact CG2-CB 3.71Å; I174-V286 HydrophobicContact CG2-CG1 3.37Å; N176-V286 HydrophobicContact CB-CG2 3.86Å; I220-V286 HydrophobicContact CG2-CG1 4.12Å; V221-V286 CarbonylContact O-C 3.57Å; V221-V286 WeakPolarHBondContact O-CA 3.32Å; T222-V286 HydrophobicContact CG2-CG2 3.96Å; V286-T293 CarbonylContact O-C 3.26Å; V286-T293 VanDerWaalsContact O-CA 3.31Å; V286-T293 WeakPolarHBondContact O-CA 3.41Å; V286-L294 PolarHBondContact N-O 2.85Å; V286-L294 PolarHBondContact O-N 3.27Å
287T98.8Very high98.3Very high41 Ų4133.5 Ų33.525%0.25219%0.185SC..EExtended strand (participates in β ladder)trans-116.9131.6-179.7-57.70000109.7I220 V221 G292 T293I220-T287 WeakPolarHBondContact CA-O 3.35Å; V221-T287 PolarHBondContact N-O 3.37Å; V221-T287 PolarHBondContact O-N 3.12Å; T287-G292 WeakPolarHBondContact CA-O 3.22Å; T287-G292 WeakPolarHBondContact CG2-O 3.48Å; T287-T293 WeakPolarHBondContact OG1-CG2 3.41Å; T287-T293 PolarHBondContact OG1-OG1 3.33Å
288I98.6Very high98.3Very high1 Ų132 Ų321%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-123.6129.6170.1-55.9-172.6000108.3E148 L149 I174 V218 N219 I220 N290 I291 G292E148-I288 WeakPolarHBondContact O-CD1 3.44Å; L149-I288 HydrophobicContact CB-CD1 4.23Å; L149-I288 HydrophobicContact CD1-CD1 4.07Å; L149-I288 HydrophobicContact CD1-CG2 4.45Å; I174-I288 HydrophobicContact CB-CD1 4.36Å; I174-I288 HydrophobicContact CD1-CB 4.2Å; I174-I288 HydrophobicContact CD1-CG1 4.18Å; I174-I288 HydrophobicContact CG1-CB 4.15Å; I174-I288 HydrophobicContact CG1-CD1 4.04Å; I174-I288 HydrophobicContact CG1-CG1 3.94Å; I174-I288 HydrophobicContact CG2-CD1 4.14Å; I174-I288 HydrophobicContact CG2-CG1 4.21Å; V218-I288 HydrophobicContact CB-CG2 4.29Å; V218-I288 HydrophobicContact CG2-CG2 3.76Å; N219-I288 WeakPolarHBondContact O-CA 3.4Å; I220-I288 HydrophobicContact CB-CG1 4.37Å; I220-I288 HydrophobicContact CD1-CD1 4.19Å; I220-I288 HydrophobicContact CG1-CD1 3.93Å; I220-I288 HydrophobicContact CG1-CG1 3.96Å; I220-I288 HydrophobicContact CG2-CD1 4.33Å; I220-I288 HydrophobicContact CG2-CG1 4.09Å; I288-N290 PolarHBondContact O-N 3.07Å; I288-I291 HydrophobicContact CB-CB 4.18Å; I288-I291 HydrophobicContact CB-CD1 4.03Å; I288-I291 HydrophobicContact CB-CG1 4.16Å; I288-I291 HydrophobicContact CD1-CD1 4.39Å; I288-I291 HydrophobicContact CG2-CB 4.49Å; I288-I291 HydrophobicContact CG2-CD1 3.72Å; I288-I291 HydrophobicContact CG2-CG1 3.94Å; I288-I291 PolarHBondContact O-N 2.87Å; I288-I291 VanDerWaalsContact O-N 3.11Å; I288-G292 PolarHBondContact N-O 3.02Å; I288-G292 VanDerWaalsContact N-O 3.09Å; I288-G292 PolarHBondContact O-N 2.75Å; I288-G292 VanDerWaalsContact O-N 3.11Å
289D95.4Very high98.3Very high73 Ų7333.2 Ų33.239%0.3919%0.189SC..THydrogen-bonded Turntrans-51.7137.9-179.9-72-24.5000111.1L212 V218 N219 I291L212-D289 WeakPolarHBondContact CD1-O 3.46Å; V218-D289 HydrophobicContact CB-CB 4.46Å; N219-D289 WeakPolarHBondContact CB-OD2 3.37Å; N219-D289 PolarHBondContact ND2-OD2 3.14Å; N219-D289 PolarHBondContact O-N 3.4Å; D289-I291 PolarHBondContact O-N 3.01Å
290N94.7Very high98.2Very high109 Ų10940 Ų4058%0.58322%0.217SC*.THydrogen-bonded Turntrans63.1-19.5-175.3-57.6-43.4000116.7K2 L212 I288K2-N290 VanDerWaalsContact CE-O 3.28Å; K2-N290 WeakPolarHBondContact CE-O 3.35Å; K2-N290 PolarHBondContact NZ-O 3.38Å; L212-N290 HydrophobicContact CD1-CB 3.75Å; I288-N290 PolarHBondContact O-N 3.07Å
291I97.8Very high98.1Very high0 Ų039.7 Ų39.70%021%0.213CC..THydrogen-bonded Turntrans-79.3-62.8173.3-51-170.6000110.2K2 L149 I174 Y205 V207 L212 I288 D289K2-I291 PolarHBondContact NZ-O 2.84Å; L149-I291 HydrophobicContact CD1-CD1 3.57Å; I174-I291 HydrophobicContact CD1-CB 4.37Å; I174-I291 HydrophobicContact CD1-CG2 4.11Å; I174-I291 HydrophobicContact CG1-CB 4.17Å; I174-I291 HydrophobicContact CG1-CG2 3.64Å; Y205-I291 WeakPolarHBondContact CD2-O 3.18Å; V207-I291 HydrophobicContact CG1-CB 4.33Å; V207-I291 HydrophobicContact CG1-CG2 4.07Å; V207-I291 HydrophobicContact CG2-CB 4.49Å; V207-I291 HydrophobicContact CG2-CD1 4.31Å; V207-I291 HydrophobicContact CG2-CG1 3.82Å; V207-I291 HydrophobicContact CG2-CG2 4.47Å; L212-I291 HydrophobicContact CD1-CG1 4.37Å; L212-I291 HydrophobicContact CD2-CD1 4Å; L212-I291 HydrophobicContact CD2-CG1 4.19Å; I288-I291 HydrophobicContact CB-CB 4.18Å; I288-I291 HydrophobicContact CB-CD1 4.03Å; I288-I291 HydrophobicContact CB-CG1 4.16Å; I288-I291 HydrophobicContact CD1-CD1 4.39Å; I288-I291 HydrophobicContact CG2-CB 4.49Å; I288-I291 HydrophobicContact CG2-CD1 3.72Å; I288-I291 HydrophobicContact CG2-CG1 3.94Å; I288-I291 PolarHBondContact O-N 2.87Å; I288-I291 VanDerWaalsContact O-N 3.11Å; D289-I291 PolarHBondContact O-N 3.01Å
292G97.2Very high98.1Very high21 Ų2140.1 Ų40.122%0.21621%0.206CC..EExtended strand (participates in β ladder)trans146.8-152.3-176.700000112.2I174 T287 I288I174-G292 WeakPolarHBondContact CD1-O 3.43Å; T287-G292 WeakPolarHBondContact CA-O 3.22Å; T287-G292 WeakPolarHBondContact CG2-O 3.48Å; I288-G292 PolarHBondContact N-O 3.02Å; I288-G292 VanDerWaalsContact N-O 3.09Å; I288-G292 PolarHBondContact O-N 2.75Å; I288-G292 VanDerWaalsContact O-N 3.11Å
293T98.6Very high98.1Very high52 Ų5241.2 Ų41.232%0.31921%0.212SC..EExtended strand (participates in β ladder)trans-130.2127.8176.6-590000109.2P204 K285 V286 T287P204-T293 WeakPolarHBondContact CD-O 3.5Å; P204-T293 WeakPolarHBondContact CG-O 3.32Å; K285-T293 HydrophobicContact CB-CG2 4.06Å; K285-T293 HydrophobicContact CG-CG2 4.25Å; V286-T293 CarbonylContact O-C 3.26Å; V286-T293 VanDerWaalsContact O-CA 3.31Å; V286-T293 WeakPolarHBondContact O-CA 3.41Å; T287-T293 WeakPolarHBondContact OG1-CG2 3.41Å; T287-T293 PolarHBondContact OG1-OG1 3.33Å
294L98.8Very high98.1Very high3 Ų341.6 Ų41.62%0.01622%0.215CC..EExtended strand (participates in β ladder)trans-95.7120.4168.5175.265.3000108.6D129 I174 N176 P201 K285 V286D129-L294 HydrophobicContact CB-CD1 4.1Å; I174-L294 HydrophobicContact CB-CB 4.11Å; I174-L294 HydrophobicContact CB-CD2 4.41Å; I174-L294 HydrophobicContact CD1-CB 4.43Å; I174-L294 HydrophobicContact CG2-CB 4.02Å; I174-L294 HydrophobicContact CG2-CD2 4.2Å; N176-L294 HydrophobicContact CB-CD2 4.36Å; P201-L294 HydrophobicContact CB-CD2 4.14Å; K285-L294 CarbonylContact C-O 3.51Å; K285-L294 WeakPolarHBondContact CA-O 3.4Å; V286-L294 PolarHBondContact N-O 2.85Å; V286-L294 PolarHBondContact O-N 3.27Å
295T98.8Very high98Very high12 Ų1244.2 Ų44.27%0.07423%0.229CC..EExtended strand (participates in β ladder)trans-114.3133.4-179.9-51.90000109.8D129 N130 E283 V284 K285 Y297D129-T295 PolarHBondContact OD1-N 3.3Å; N130-T295 VanDerWaalsContact CA-O 3.25Å; N130-T295 WeakPolarHBondContact CA-O 3.49Å; N130-T295 PolarHBondContact N-O 3.04Å; E283-T295 HydrophobicContact CG-CG2 3.99Å; V284-T295 CarbonylContact O-C 3.56Å; V284-T295 VanDerWaalsContact O-CA 3.31Å; V284-T295 WeakPolarHBondContact O-CA 3.46Å; K285-T295 HydrophobicContact CG-CG2 3.83Å; T295-Y297 HydrophobicContact CG2-CE1 4.33Å; T295-Y297 HydrophobicContact CG2-CE2 4.18Å
296T98.8Very high97.9Very high2 Ų243.7 Ų43.71%0.01223%0.229CC..EExtended strand (participates in β ladder)trans-139161.1171.6580000111.2A131 I133 P201 V284A131-T296 WeakPolarHBondContact O-CA 3.36Å; I133-T296 HydrophobicContact CD1-CG2 3.91Å; P201-T296 HydrophobicContact CB-CG2 3.6Å; P201-T296 HydrophobicContact CG-CG2 4.3Å; V284-T296 PolarHBondContact N-O 3.33Å; V284-T296 PolarHBondContact O-N 3.25Å
297Y98.8Very high97.9Very high82 Ų8246.7 Ų46.732%0.32225%0.245SC..EExtended strand (participates in β ladder)trans-125.5134.9-177.3-52.6-86.3000110.1N130 A131 T132 I133 D282 E283 T295N130-Y297 HydrophobicContact CB-CE2 4.28Å; A131-Y297 PolarHBondContact O-N 3.46Å; T132-Y297 CarbonylContact C-O 3.56Å; T132-Y297 WeakPolarHBondContact CA-O 3.41Å; I133-Y297 PolarHBondContact N-O 3.44Å; D282-Y297 CarbonylContact O-C 3.56Å; D282-Y297 WeakPolarHBondContact O-CA 3.42Å; E283-Y297 HydrophobicContact CB-CD1 4.08Å; E283-Y297 HydrophobicContact CB-CE1 4.17Å; E283-Y297 HydrophobicContact CG-CD1 4.07Å; E283-Y297 HydrophobicContact CG-CE1 3.75Å; T295-Y297 HydrophobicContact CG2-CE1 4.33Å; T295-Y297 HydrophobicContact CG2-CE2 4.18Å
298I98.8Very high97.8Very high5 Ų547.2 Ų47.23%0.02624%0.244CC..EExtended strand (participates in β ladder)trans-84.9126.1174.4-52.3-54.3000108.9I133 N135 L143 L278 Q279 G281 D282I133-I298 HydrophobicContact CB-CD1 4.2Å; I133-I298 HydrophobicContact CG2-CD1 4.49Å; N135-I298 HydrophobicContact CB-CG2 3.67Å; L143-I298 HydrophobicContact CD2-CD1 4.33Å; L278-I298 HydrophobicContact CB-CG1 4.35Å; L278-I298 HydrophobicContact CD1-CD1 4.16Å; L278-I298 HydrophobicContact CD1-CG1 4.47Å; Q279-I298 WeakPolarHBondContact O-CB 3.13Å; G281-I298 VanDerWaalsContact CA-O 3.31Å; G281-I298 WeakPolarHBondContact CA-O 3.38Å; G281-I298 PolarHBondContact N-O 2.66Å; D282-I298 HydrophobicContact CB-CB 4.47Å; D282-I298 HydrophobicContact CB-CG1 4.15Å; D282-I298 PolarHBondContact O-N 3.28Å
299A98.6Very high97.7Very high28 Ų2851 Ų5123%0.23126%0.264CS..  trans-57.1138.2-177.600000111.6T132 I133 N135 P280T132-A299 HydrophobicContact CG2-CB 3.89Å; I133-A299 WeakPolarHBondContact O-CB 3.48Å; I133-A299 PolarHBondContact O-N 3.39Å; N135-A299 WeakPolarHBondContact CB-O 3.33Å; N135-A299 PolarHBondContact ND2-O 3.17Å; P280-A299 WeakPolarHBondContact CA-O 3.47Å; P280-A299 WeakPolarHBondContact CB-O 3.44Å
300K96.7Very high97.9Very high225 Ų22549 Ų4998%0.97825%0.252SS*.  trans-71.60178.9-70.7-176.1-179.2178.20113

Retrieved 300 of 300 residues in 654.6 ms (Link to these results)

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