A0A096NFG2_PAPAN Loading...

Trafficking protein particle complex subunit 2-like protein

AlphaFold DB (Q9UL33), UniProt , Accession A0A096NFG2, Species PAPAN (Papio anubis, Olive baboon), Gene TRAPPC2L, Length 140 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
1M89.8Confident96.7Very high95 Ų9530.5 Ų30.547%0.46814%0.143SC..  0161.70-66.5175.5-173.500109.2N88 L91 M135 I137M1-N88 PolarHBondContact N-ND2 2.64Å; M1-N88 VanDerWaalsContact N-ND2 3.12Å; M1-L91 WeakPolarHBondContact O-CD1 3.37Å; M1-M135 CarbonylContact C-O 3.51Å; M1-M135 WeakPolarHBondContact CA-O 3.44Å; M1-M135 WeakPolarHBondContact CB-O 3.5Å; M1-I137 HydrophobicContact CB-CB 4.45Å; M1-I137 HydrophobicContact CB-CG2 3.73Å
2A95.3Very high96.7Very high0 Ų033.4 Ų33.40%016%0.16CC..EExtended strand (participates in β ladder)trans-88.8149.2-175.800000113.2I5 M82 V83 V84 M135 M136 I137A2-I5 HydrophobicContact CB-CD1 4.07Å; A2-I5 HydrophobicContact CB-CG1 3.84Å; A2-M82 HydrophobicContact CB-CE 3.92Å; A2-V83 CarbonylContact C-O 3.53Å; A2-V83 WeakPolarHBondContact CA-O 3.23Å; A2-V83 WeakPolarHBondContact CB-O 3.48Å; A2-V84 HydrophobicContact CB-CG1 4.17Å; A2-M135 PolarHBondContact N-O 3.38Å; A2-M136 CarbonylContact O-C 3.5Å; A2-M136 VanDerWaalsContact O-CA 3.24Å; A2-M136 WeakPolarHBondContact O-CA 3.37Å; A2-I137 PolarHBondContact O-N 3.13Å
3V96.2Very high96.7Very high5 Ų538.1 Ų38.13%0.0318%0.176CC..EExtended strand (participates in β ladder)trans-94.4-25.6172.9-630000111.9S19 T20 F28 Y67 V83 D85 M136 I137V3-S19 CarbonylContact O-C 3.58Å; V3-S19 VanDerWaalsContact O-CA 3.26Å; V3-S19 WeakPolarHBondContact O-CA 3.45Å; V3-T20 PolarHBondContact O-N 3.25Å; V3-F28 HydrophobicContact CB-CE1 4.35Å; V3-F28 HydrophobicContact CB-CZ 4.07Å; V3-F28 HydrophobicContact CG2-CE1 3.63Å; V3-F28 HydrophobicContact CG2-CZ 3.83Å; V3-Y67 HydrophobicContact CB-CE1 4.38Å; V3-Y67 HydrophobicContact CG1-CE1 4.25Å; V3-Y67 HydrophobicContact CG2-CD1 3.7Å; V3-Y67 HydrophobicContact CG2-CE1 3.63Å; V3-V83 HydrophobicContact CG2-CB 3.94Å; V3-V83 HydrophobicContact CG2-CG1 3.69Å; V3-V83 VanDerWaalsContact CG2-O 3.31Å; V3-V83 WeakPolarHBondContact CG2-O 3.22Å; V3-V83 PolarHBondContact N-O 3.23Å; V3-D85 HydrophobicContact CG1-CB 4.44Å; V3-M136 WeakPolarHBondContact O-CE 3.32Å; V3-I137 HydrophobicContact CG1-CD1 3.8Å; V3-I137 HydrophobicContact CG1-CG1 4.15Å
4C97.9Very high96.7Very high0 Ų037.1 Ų37.10%017%0.174CC..EExtended strand (participates in β ladder)trans-144.6139.3173.3179.30000110.5R18 F28 M82 V83C4-R18 CarbonylContact C-O 3.58Å; C4-R18 VanDerWaalsContact CA-O 3.27Å; C4-R18 WeakPolarHBondContact CA-O 3.43Å; C4-R18 PolarHBondContact SG-O 3.22Å; C4-F28 HydrophobicContact CB-CB 4.02Å; C4-F28 HydrophobicContact CB-CD1 3.77Å; C4-F28 HydrophobicContact CB-CE1 4.37Å; C4-F28 HydrophobicContact CB-CG 3.88Å; C4-M82 WeakPolarHBondContact O-CA 3.39Å; C4-V83 HydrophobicContact CB-CB 3.91Å; C4-V83 HydrophobicContact CB-CG2 3.96Å; C4-V83 PolarHBondContact N-O 3.47Å; C4-V83 PolarHBondContact O-N 3.42Å
5I98.4Very high96.8Very high0 Ų035 Ų350%017%0.165CC..EExtended strand (participates in β ladder)trans-130.9128.5172.9-61.2172.3000107.6A2 R18 V81 M82 L103 V132 M135 M136A2-I5 HydrophobicContact CB-CD1 4.07Å; A2-I5 HydrophobicContact CB-CG1 3.84Å; I5-R18 PolarHBondContact N-O 3.15Å; I5-R18 PolarHBondContact O-N 2.88Å; I5-V81 WeakPolarHBondContact CA-O 3.45Å; I5-M82 HydrophobicContact CD1-CE 3.68Å; I5-M82 HydrophobicContact CG1-CE 3.84Å; I5-M82 HydrophobicContact CG1-CG 4.22Å; I5-M82 HydrophobicContact CG2-CG 4.49Å; I5-L103 HydrophobicContact CG2-CD1 4.13Å; I5-L103 HydrophobicContact CG2-CD2 3.69Å; I5-V132 HydrophobicContact CB-CG1 4.25Å; I5-V132 HydrophobicContact CD1-CG1 3.98Å; I5-M135 HydrophobicContact CD1-CB 3.82Å; I5-M135 HydrophobicContact CD1-CE 3.63Å; I5-M136 HydrophobicContact CD1-CG 3.89Å; I5-M136 HydrophobicContact CG1-CG 4.46Å
6A98.5Very high96.9Very high0 Ų034 Ų340%016%0.159CC..EExtended strand (participates in β ladder)trans-131.3145.9179.900000112.1I8 Y16 I17 V32 F80 V81A6-I8 HydrophobicContact CB-CD1 4.25Å; A6-I8 HydrophobicContact CB-CG1 4.5Å; A6-Y16 CarbonylContact C-O 3.54Å; A6-Y16 VanDerWaalsContact CA-O 3.26Å; A6-Y16 WeakPolarHBondContact CA-O 3.4Å; A6-I17 HydrophobicContact CB-CG1 3.83Å; A6-V32 HydrophobicContact CB-CB 4.36Å; A6-V32 HydrophobicContact CB-CG1 3.62Å; A6-V32 HydrophobicContact CB-CG2 3.79Å; A6-F80 VanDerWaalsContact O-CA 3.29Å; A6-F80 WeakPolarHBondContact O-CA 3.26Å; A6-V81 HydrophobicContact CB-CB 4.36Å; A6-V81 PolarHBondContact N-O 3.49Å; A6-V81 PolarHBondContact O-N 3.08Å
7V98.6Very high96.9Very high0 Ų033.5 Ų33.50%016%0.158CC..EExtended strand (participates in β ladder)trans-120.8115.2168.5179.70000107.6L15 Y16 V78 F80 Y107 F128V7-L15 HydrophobicContact CB-CB 4.45Å; V7-L15 HydrophobicContact CG1-CB 4.12Å; V7-L15 HydrophobicContact CG1-CD1 4.09Å; V7-L15 WeakPolarHBondContact O-CB 3.46Å; V7-L15 PolarHBondContact O-N 2.58Å; V7-Y16 PolarHBondContact N-O 3.25Å; V7-Y16 PolarHBondContact O-N 3.27Å; V7-V78 HydrophobicContact CG1-CG1 3.62Å; V7-F80 HydrophobicContact CB-CD1 4.13Å; V7-F80 HydrophobicContact CB-CE1 4.35Å; V7-F80 HydrophobicContact CG1-CD1 3.77Å; V7-F80 HydrophobicContact CG1-CE1 3.61Å; V7-F80 HydrophobicContact CG2-CD1 3.79Å; V7-F80 HydrophobicContact CG2-CE1 4Å; V7-Y107 HydrophobicContact CG1-CD2 3.94Å; V7-Y107 HydrophobicContact CG1-CE2 3.85Å; V7-F128 HydrophobicContact CG2-CZ 3.94Å
8I98.6Very high96.8Very high0 Ų035.8 Ų35.80%017%0.165CC..EExtended strand (participates in β ladder)trans-112.6127.8-176.4-53.3-56000108.5A6 P14 I17 V32 L36 V78 K79A6-I8 HydrophobicContact CB-CD1 4.25Å; A6-I8 HydrophobicContact CB-CG1 4.5Å; I8-P14 HydrophobicContact CD1-CB 3.93Å; I8-I17 HydrophobicContact CD1-CD1 4.08Å; I8-I17 HydrophobicContact CD1-CG1 4.28Å; I8-V32 HydrophobicContact CD1-CG1 3.78Å; I8-V32 HydrophobicContact CG1-CG1 3.85Å; I8-L36 HydrophobicContact CB-CD2 4.33Å; I8-L36 HydrophobicContact CG1-CD2 4.25Å; I8-L36 HydrophobicContact CG2-CD1 3.91Å; I8-L36 HydrophobicContact CG2-CD2 4.19Å; I8-V78 VanDerWaalsContact O-CG1 3.31Å; I8-V78 WeakPolarHBondContact O-CG1 3.39Å; I8-K79 HydrophobicContact CB-CB 4.3Å; I8-K79 PolarHBondContact N-O 2.88Å; I8-K79 PolarHBondContact O-N 3.34Å
9A97.7Very high96.8Very high2 Ų234.3 Ų34.32%0.01716%0.159CC..  trans-59.5165.1177.600000111.6E11 N12 Y13 L15 K79A9-E11 PolarHBondContact O-N 3.4Å; A9-N12 PolarHBondContact O-N 3.2Å; A9-Y13 HydrophobicContact CB-CD1 3.76Å; A9-Y13 HydrophobicContact CB-CD2 3.89Å; A9-Y13 HydrophobicContact CB-CE1 3.42Å; A9-Y13 VanDerWaalsContact CB-CE1 3.42Å; A9-Y13 HydrophobicContact CB-CE2 3.57Å; A9-Y13 HydrophobicContact CB-CG 3.97Å; A9-Y13 WeakPolarHBondContact CB-O 3.41Å; A9-Y13 PolarHBondContact N-O 3.36Å; A9-L15 HydrophobicContact CB-CD1 4.03Å; A9-L15 HydrophobicContact CB-CD2 4.4Å; A9-L15 HydrophobicContact CB-CG 3.97Å; A9-K79 VanDerWaalsContact O-CE 3.26Å; A9-K79 WeakPolarHBondContact O-CE 3.39Å
10K96.3Very high96.6Very high117 Ų11733.5 Ų33.551%0.50916%0.156SC..THydrogen-bonded Turntrans-53.4-42173.9173-177.6170.9-160.80111.3N12 K77 K79K10-N12 PolarHBondContact O-N 3.23Å; K10-K77 WeakPolarHBondContact CA-O 3.45Å; K10-K77 HydrophobicContact CB-CB 4.2Å; K10-K77 HydrophobicContact CD-CB 4.11Å; K10-K77 HydrophobicContact CG-CB 3.84Å; K10-K79 PolarHBondContact O-NZ 2.81Å
11E96.1Very high96.4Very high117 Ų11734.4 Ų34.455%0.54717%0.165SC..THydrogen-bonded Turntrans-83.419.6-179.6-55.667.8-147.600113.7A9 Y13A9-E11 PolarHBondContact O-N 3.4Å; E11-Y13 VanDerWaalsContact C-N 3.27Å; E11-Y13 HydrophobicContact CB-CD1 3.89Å; E11-Y13 HydrophobicContact CB-CE1 3.87Å; E11-Y13 HydrophobicContact CG-CE1 4.49Å; E11-Y13 PolarHBondContact O-N 3.1Å
12N96.9Very high96.3Very high65 Ų6534.9 Ų34.935%0.34817%0.173SC..SBendtrans68.36.5173.1-68.2-27.3000117.2A9 K10 H33 L36 K79A9-N12 PolarHBondContact O-N 3.2Å; K10-N12 PolarHBondContact O-N 3.23Å; N12-H33 PolarHBondContact O-CE1 3.01Å; N12-L36 HydrophobicContact CB-CD1 4.2Å; N12-K79 PolarHBondContact OD1-NZ 3.3Å
13Y96.5Very high96.1Very high94 Ų9443.1 Ų43.137%0.36921%0.212SC..  trans-85148169.465.7-90.8000111.5A9 E11 L15 G119A9-Y13 HydrophobicContact CB-CD1 3.76Å; A9-Y13 HydrophobicContact CB-CD2 3.89Å; A9-Y13 HydrophobicContact CB-CE1 3.42Å; A9-Y13 VanDerWaalsContact CB-CE1 3.42Å; A9-Y13 HydrophobicContact CB-CE2 3.57Å; A9-Y13 HydrophobicContact CB-CG 3.97Å; A9-Y13 WeakPolarHBondContact CB-O 3.41Å; A9-Y13 PolarHBondContact N-O 3.36Å; E11-Y13 VanDerWaalsContact C-N 3.27Å; E11-Y13 HydrophobicContact CB-CD1 3.89Å; E11-Y13 HydrophobicContact CB-CE1 3.87Å; E11-Y13 HydrophobicContact CG-CE1 4.49Å; E11-Y13 PolarHBondContact O-N 3.1Å; Y13-L15 HydrophobicContact CD2-CD2 4.34Å; Y13-L15 HydrophobicContact CE2-CD2 3.57Å; Y13-L15 HydrophobicContact CE2-CG 4.26Å; Y13-L15 PolarHBondContact O-N 3.17Å; Y13-G119 WeakPolarHBondContact CE2-O 3.41Å; Y13-G119 WeakPolarHBondContact OH-CA 3.44Å
14P97.4Very high95.8Very high24 Ų2445.9 Ų45.916%0.15623%0.226CC..EExtended strand (participates in β ladder)trans-77123.6-17830.2-34.3000111.8I8 I17I8-P14 HydrophobicContact CD1-CB 3.93Å; P14-I17 HydrophobicContact CB-CD1 3.58Å; P14-I17 HydrophobicContact CB-CG1 3.91Å; P14-I17 HydrophobicContact CG-CD1 4.42Å
15L97.6Very high95.6Very high6 Ų650.1 Ų50.13%0.03125%0.246CC..EExtended strand (participates in β ladder)trans-85.5-34.3168.2-66170.8000110.9V7 A9 Y13 V78 Y107 R121 I122V7-L15 HydrophobicContact CB-CB 4.45Å; V7-L15 HydrophobicContact CG1-CB 4.12Å; V7-L15 HydrophobicContact CG1-CD1 4.09Å; V7-L15 WeakPolarHBondContact O-CB 3.46Å; V7-L15 PolarHBondContact O-N 2.58Å; A9-L15 HydrophobicContact CB-CD1 4.03Å; A9-L15 HydrophobicContact CB-CD2 4.4Å; A9-L15 HydrophobicContact CB-CG 3.97Å; Y13-L15 HydrophobicContact CD2-CD2 4.34Å; Y13-L15 HydrophobicContact CE2-CD2 3.57Å; Y13-L15 HydrophobicContact CE2-CG 4.26Å; Y13-L15 PolarHBondContact O-N 3.17Å; L15-V78 HydrophobicContact CD1-CG1 4.34Å; L15-Y107 HydrophobicContact CD1-CE2 4.2Å; L15-R121 CarbonylContact O-C 3.47Å; L15-R121 VanDerWaalsContact O-CA 3.29Å; L15-R121 WeakPolarHBondContact O-CA 3.39Å; L15-I122 HydrophobicContact CB-CD1 4.43Å; L15-I122 HydrophobicContact CB-CG1 4.43Å; L15-I122 PolarHBondContact O-N 2.81Å
16Y98.1Very high95.5Very high19 Ų1955.5 Ų55.58%0.07528%0.275CS..EExtended strand (participates in β ladder)trans-154.1134.2177.8-173.4-92.9000109.8A6 V7 R18 I122 F128 D129 V132A6-Y16 CarbonylContact C-O 3.54Å; A6-Y16 VanDerWaalsContact CA-O 3.26Å; A6-Y16 WeakPolarHBondContact CA-O 3.4Å; V7-Y16 PolarHBondContact N-O 3.25Å; V7-Y16 PolarHBondContact O-N 3.27Å; Y16-R18 HydrophobicContact CD1-CB 4.42Å; Y16-R18 HydrophobicContact CE1-CB 3.47Å; Y16-R18 VanDerWaalsContact CE1-CB 3.47Å; Y16-R18 VanDerWaalsContact OH-CD 3.22Å; Y16-R18 WeakPolarHBondContact OH-CD 3.31Å; Y16-I122 HydrophobicContact CD2-CB 4.16Å; Y16-I122 WeakPolarHBondContact CD2-O 3.49Å; Y16-F128 AromaticContact CD1-CE1 3.86Å; Y16-F128 HydrophobicContact CD1-CE1 3.86Å; Y16-F128 HydrophobicContact CD2-CD1 4.12Å; Y16-F128 AromaticContact CD2-CE1 3.74Å; Y16-F128 HydrophobicContact CD2-CE1 3.74Å; Y16-F128 HydrophobicContact CE1-CE1 4.02Å; Y16-F128 AromaticContact CE2-CD1 3.99Å; Y16-F128 HydrophobicContact CE2-CD1 3.99Å; Y16-F128 AromaticContact CE2-CE1 3.9Å; Y16-F128 HydrophobicContact CE2-CE1 3.9Å; Y16-F128 AromaticContact CG-CE1 3.69Å; Y16-F128 HydrophobicContact CG-CE1 3.69Å; Y16-D129 WeakPolarHBondContact CE2-OD1 3.48Å; Y16-D129 PolarHBondContact OH-OD1 3.47Å; Y16-V132 HydrophobicContact CE1-CB 4.34Å; Y16-V132 HydrophobicContact CE1-CG1 3.86Å; Y16-V132 HydrophobicContact CE1-CG2 3.88Å
17I97Very high95.4Very high26 Ų2659.7 Ų59.713%0.13329%0.293CS..EExtended strand (participates in β ladder)trans-140128.2166.7-62.3180000106.4A6 I8 P14 H29A6-I17 HydrophobicContact CB-CG1 3.83Å; I8-I17 HydrophobicContact CD1-CD1 4.08Å; I8-I17 HydrophobicContact CD1-CG1 4.28Å; P14-I17 HydrophobicContact CB-CD1 3.58Å; P14-I17 HydrophobicContact CB-CG1 3.91Å; P14-I17 HydrophobicContact CG-CD1 4.42Å; I17-H29 WeakPolarHBondContact CD1-CE1 3.24Å; I17-H29 WeakPolarHBondContact CD1-ND1 3.18Å
18R95.9Very high95.4Very high75 Ų7559.7 Ų59.728%0.28329%0.293SS..EExtended strand (participates in β ladder)trans-134.7132.2170.7-172.8175.3171.1-174.8-3.3109.6C4 I5 Y16 D129 V132 T133 M136C4-R18 CarbonylContact C-O 3.58Å; C4-R18 VanDerWaalsContact CA-O 3.27Å; C4-R18 WeakPolarHBondContact CA-O 3.43Å; C4-R18 PolarHBondContact SG-O 3.22Å; I5-R18 PolarHBondContact N-O 3.15Å; I5-R18 PolarHBondContact O-N 2.88Å; Y16-R18 HydrophobicContact CD1-CB 4.42Å; Y16-R18 HydrophobicContact CE1-CB 3.47Å; Y16-R18 VanDerWaalsContact CE1-CB 3.47Å; Y16-R18 VanDerWaalsContact OH-CD 3.22Å; Y16-R18 WeakPolarHBondContact OH-CD 3.31Å; R18-D129 PolarHBondContact NH1-O 3.04Å; R18-V132 HydrophobicContact CB-CG1 4.37Å; R18-T133 PolarHBondContact NH1-OG1 3.2Å; R18-T133 PolarHBondContact NH2-OG1 3.25Å; R18-T133 VanDerWaalsContact NH2-OG1 3.08Å; R18-M136 HydrophobicContact CB-SD 4.11Å; R18-M136 VanDerWaalsContact CD-SD 3.51Å; R18-M136 HydrophobicContact CG-CE 4.07Å; R18-M136 HydrophobicContact CG-SD 3.54Å; R18-M136 VanDerWaalsContact CG-SD 3.54Å
19S95.8Very high95.3Very high7 Ų761.7 Ų61.75%0.04930%0.302CS..EExtended strand (participates in β ladder)trans-135.2161.3-178.966.60000112.1V3 E25V3-S19 CarbonylContact O-C 3.58Å; V3-S19 VanDerWaalsContact O-CA 3.26Å; V3-S19 WeakPolarHBondContact O-CA 3.45Å; S19-E25 WeakPolarHBondContact OG-CA 3.28Å
20T93.8Very high95.3Very high17 Ų1768.9 Ų68.910%0.10433%0.33CS..SBendtrans-149.3125.6-177.8-65.50000108.9V3 M136 I137 V139V3-T20 PolarHBondContact O-N 3.25Å; T20-M136 WeakPolarHBondContact OG1-CE 3.26Å; T20-I137 HydrophobicContact CG2-CD1 4.05Å; T20-I137 HydrophobicContact CG2-CG1 4Å; T20-V139 HydrophobicContact CG2-CG2 3.02Å
21P91.1Very high95.4Very high54 Ų5464.2 Ų64.235%0.35131%0.31SS..SBendcis-69.8155.3-1.931.5-36.1000112.4E23 N24P21-E23 PolarHBondContact O-N 3.21Å; P21-N24 HydrophobicContact CG-CB 4.48Å; P21-N24 PolarHBondContact O-N 2.86Å
22T89.1Confident95.5Very high104 Ų10458.6 Ų58.664%0.63828%0.284SS*.G310 helixtrans-65.5-23.9-179.448.50000113.1N24 E25T22-N24 PolarHBondContact O-N 2.84Å; T22-E25 WeakPolarHBondContact O-CB 3.47Å; T22-E25 PolarHBondContact O-N 3.06Å; T22-E25 VanDerWaalsContact O-N 3.1Å
23E90.1Very high95.6Very high174 Ų17458.8 Ų58.881%0.81328%0.282SS*.G310 helixtrans-59.9-28176-58.5176.1-152.500112.7P21P21-E23 PolarHBondContact O-N 3.21Å
24N91.3Very high95.6Very high62 Ų6257.8 Ų57.833%0.33229%0.286SS..G310 helixtrans-97.313.5-179.6-73.5-24.9000113P21 T22 L26 K27 F28P21-N24 HydrophobicContact CG-CB 4.48Å; P21-N24 PolarHBondContact O-N 2.86Å; T22-N24 PolarHBondContact O-N 2.84Å; N24-L26 VanDerWaalsContact C-N 3.28Å; N24-L26 PolarHBondContact O-N 3.12Å; N24-K27 WeakPolarHBondContact O-CB 3.19Å; N24-K27 PolarHBondContact O-N 3.43Å; N24-F28 HydrophobicContact CB-CD2 3.96Å; N24-F28 HydrophobicContact CB-CE2 3.67Å; N24-F28 WeakPolarHBondContact O-CD2 3.38Å; N24-F28 PolarHBondContact O-N 3.35Å; N24-F28 VanDerWaalsContact O-N 3.08Å
25E93.4Very high95.6Very high89 Ų8956.7 Ų56.742%0.41628%0.279SS..Hα-helixtrans-54.4-44.3-175.1-177.3173.8-176.300112.1S19 T22 K27 F28 H29S19-E25 WeakPolarHBondContact OG-CA 3.28Å; T22-E25 WeakPolarHBondContact O-CB 3.47Å; T22-E25 PolarHBondContact O-N 3.06Å; T22-E25 VanDerWaalsContact O-N 3.1Å; E25-K27 PolarHBondContact O-N 2.74Å; E25-F28 PolarHBondContact O-N 2.65Å; E25-H29 PolarHBondContact O-CD2 3.23Å; E25-H29 VanDerWaalsContact O-CD2 3.29Å; E25-H29 PolarHBondContact O-N 3.08Å; E25-H29 IonicContact OE1-NE2 2.75Å
26L96.3Very high95.7Very high114 Ų11456.7 Ų56.760%0.59728%0.279SS*.Hα-helixtrans-61.8-40.7177.7-175.961.6000112.7N24 F28 H29 Y30N24-L26 VanDerWaalsContact C-N 3.28Å; N24-L26 PolarHBondContact O-N 3.12Å; L26-F28 VanDerWaalsContact C-N 3.33Å; L26-F28 PolarHBondContact O-N 3.17Å; L26-H29 WeakPolarHBondContact O-CB 3.22Å; L26-H29 PolarHBondContact O-N 3.48Å; L26-Y30 HydrophobicContact CD1-CD2 4.14Å; L26-Y30 HydrophobicContact CD1-CE2 3.59Å; L26-Y30 HydrophobicContact CD2-CE2 4.1Å; L26-Y30 HydrophobicContact CG-CD2 4.01Å; L26-Y30 HydrophobicContact CG-CE2 3.59Å; L26-Y30 WeakPolarHBondContact O-CD2 3.26Å; L26-Y30 PolarHBondContact O-N 3.3Å
27K96.5Very high95.6Very high88 Ų8861.5 Ų61.538%0.38331%0.306SS..Hα-helixtrans-59.7-45.4175.7175.2-179.7176.3174.10110.5N24 E25 Y30 M31 D66N24-K27 WeakPolarHBondContact O-CB 3.19Å; N24-K27 PolarHBondContact O-N 3.43Å; E25-K27 PolarHBondContact O-N 2.74Å; K27-Y30 PolarHBondContact O-N 3.28Å; K27-M31 PolarHBondContact O-N 2.83Å; K27-D66 IonicContact NZ-OD2 3.15Å
28F97.3Very high95.7Very high0 Ų062 Ų620%031%0.31CS..Hα-helixtrans-70.4-33.8179.4-68.8-61.8000112.8V3 C4 N24 E25 L26 M31 V32 Y67 V83V3-F28 HydrophobicContact CB-CE1 4.35Å; V3-F28 HydrophobicContact CB-CZ 4.07Å; V3-F28 HydrophobicContact CG2-CE1 3.63Å; V3-F28 HydrophobicContact CG2-CZ 3.83Å; C4-F28 HydrophobicContact CB-CB 4.02Å; C4-F28 HydrophobicContact CB-CD1 3.77Å; C4-F28 HydrophobicContact CB-CE1 4.37Å; C4-F28 HydrophobicContact CB-CG 3.88Å; N24-F28 HydrophobicContact CB-CD2 3.96Å; N24-F28 HydrophobicContact CB-CE2 3.67Å; N24-F28 WeakPolarHBondContact O-CD2 3.38Å; N24-F28 PolarHBondContact O-N 3.35Å; N24-F28 VanDerWaalsContact O-N 3.08Å; E25-F28 PolarHBondContact O-N 2.65Å; L26-F28 VanDerWaalsContact C-N 3.33Å; L26-F28 PolarHBondContact O-N 3.17Å; F28-M31 HydrophobicContact CD1-SD 4.48Å; F28-M31 PolarHBondContact O-N 3.29Å; F28-V32 WeakPolarHBondContact O-CB 3.38Å; F28-V32 VanDerWaalsContact O-CG2 3.26Å; F28-V32 WeakPolarHBondContact O-CG2 3.44Å; F28-V32 PolarHBondContact O-N 3.4Å; F28-Y67 HydrophobicContact CE1-CD1 4.47Å; F28-Y67 HydrophobicContact CE1-CE1 4.1Å; F28-Y67 HydrophobicContact CE1-CE2 4.23Å; F28-Y67 AromaticContact CE1-CZ 3.96Å; F28-Y67 HydrophobicContact CZ-CE1 4.18Å; F28-Y67 AromaticContact CZ-CZ 3.93Å; F28-V83 HydrophobicContact CD1-CG1 4.38Å; F28-V83 HydrophobicContact CE1-CG1 4.16Å
29H97.6Very high95.7Very high42 Ų4258.5 Ų58.519%0.19430%0.297CS..Hα-helixtrans-57.4-49.7169.9-94.6-100.8000111.4I17 E25 L26 M31 V32 H33I17-H29 WeakPolarHBondContact CD1-CE1 3.24Å; I17-H29 WeakPolarHBondContact CD1-ND1 3.18Å; E25-H29 PolarHBondContact O-CD2 3.23Å; E25-H29 VanDerWaalsContact O-CD2 3.29Å; E25-H29 PolarHBondContact O-N 3.08Å; E25-H29 IonicContact OE1-NE2 2.75Å; L26-H29 WeakPolarHBondContact O-CB 3.22Å; L26-H29 PolarHBondContact O-N 3.48Å; H29-M31 PolarHBondContact O-N 2.86Å; H29-V32 PolarHBondContact O-N 3.19Å; H29-H33 PolarHBondContact O-CD2 2.85Å; H29-H33 PolarHBondContact O-N 2.85Å
30Y97.5Very high95.7Very high152 Ų15261.2 Ų61.260%0.59631%0.311SS*.Hα-helixtrans-60.1-47176.7-76-61.3000112L26 K27 V32 H33 T34L26-Y30 HydrophobicContact CD1-CD2 4.14Å; L26-Y30 HydrophobicContact CD1-CE2 3.59Å; L26-Y30 HydrophobicContact CD2-CE2 4.1Å; L26-Y30 HydrophobicContact CG-CD2 4.01Å; L26-Y30 HydrophobicContact CG-CE2 3.59Å; L26-Y30 WeakPolarHBondContact O-CD2 3.26Å; L26-Y30 PolarHBondContact O-N 3.3Å; K27-Y30 PolarHBondContact O-N 3.28Å; Y30-V32 VanDerWaalsContact C-N 3.33Å; Y30-V32 PolarHBondContact O-N 3.08Å; Y30-H33 PolarHBondContact O-N 2.76Å; Y30-T34 WeakPolarHBondContact O-CG2 3.17Å; Y30-T34 PolarHBondContact O-N 3.03Å; Y30-T34 PolarHBondContact O-OG1 2.81Å; Y30-T34 VanDerWaalsContact O-OG1 3.11Å
31M97.8Very high95.7Very high19 Ų1967.1 Ų67.19%0.09434%0.338CS..Hα-helixtrans-59.9-40.9179.7-172.6176.9-77.600113K27 F28 H29 T34 S35 Y62 T64 Y67 V69 V83K27-M31 PolarHBondContact O-N 2.83Å; F28-M31 HydrophobicContact CD1-SD 4.48Å; F28-M31 PolarHBondContact O-N 3.29Å; H29-M31 PolarHBondContact O-N 2.86Å; M31-T34 PolarHBondContact O-OG1 3.14Å; M31-S35 WeakPolarHBondContact O-CB 3.42Å; M31-S35 PolarHBondContact O-N 3.1Å; M31-Y62 WeakPolarHBondContact CG-OH 3.42Å; M31-Y62 PolarHBondContact O-OH 3Å; M31-Y62 VanDerWaalsContact O-OH 3.06Å; M31-T64 HydrophobicContact CE-CG2 4.23Å; M31-Y67 HydrophobicContact CE-CD2 3.69Å; M31-Y67 HydrophobicContact CE-CE2 4.5Å; M31-Y67 HydrophobicContact CE-CG 4.33Å; M31-Y67 HydrophobicContact SD-CD2 4.36Å; M31-Y67 HydrophobicContact SD-CG 4.49Å; M31-V69 HydrophobicContact CG-CG2 3.82Å; M31-V69 HydrophobicContact SD-CG2 3.78Å; M31-V83 HydrophobicContact CG-CG2 4.49Å; M31-V83 HydrophobicContact SD-CB 4.44Å; M31-V83 HydrophobicContact SD-CG1 3.55Å; M31-V83 VanDerWaalsContact SD-CG1 3.55Å; M31-V83 HydrophobicContact SD-CG2 3.98Å
32V98.4Very high95.7Very high0 Ų067.9 Ų67.90%034%0.335CS..Hα-helixtrans-65.2-47.8175.8167.20000110.4A6 I8 F28 H29 Y30 S35 V81A6-V32 HydrophobicContact CB-CB 4.36Å; A6-V32 HydrophobicContact CB-CG1 3.62Å; A6-V32 HydrophobicContact CB-CG2 3.79Å; I8-V32 HydrophobicContact CD1-CG1 3.78Å; I8-V32 HydrophobicContact CG1-CG1 3.85Å; F28-V32 WeakPolarHBondContact O-CB 3.38Å; F28-V32 VanDerWaalsContact O-CG2 3.26Å; F28-V32 WeakPolarHBondContact O-CG2 3.44Å; F28-V32 PolarHBondContact O-N 3.4Å; H29-V32 PolarHBondContact O-N 3.19Å; Y30-V32 VanDerWaalsContact C-N 3.33Å; Y30-V32 PolarHBondContact O-N 3.08Å; V32-S35 WeakPolarHBondContact O-CB 3.46Å; V32-S35 PolarHBondContact O-N 3.46Å; V32-S35 PolarHBondContact O-OG 3.19Å; V32-V81 HydrophobicContact CG1-CB 4.28Å; V32-V81 HydrophobicContact CG1-CG2 4.24Å; V32-V81 HydrophobicContact CG2-CB 4.34Å; V32-V81 HydrophobicContact CG2-CG1 4.07Å
33H98.2Very high95.8Very high68 Ų6864.9 Ų64.932%0.31532%0.315SS..Hα-helixtrans-68.1-38.4-177.2-81-69.3000113.3N12 H29 Y30 S35 L36N12-H33 PolarHBondContact O-CE1 3.01Å; H29-H33 PolarHBondContact O-CD2 2.85Å; H29-H33 PolarHBondContact O-N 2.85Å; Y30-H33 PolarHBondContact O-N 2.76Å; H33-S35 PolarHBondContact O-N 3.03Å; H33-L36 WeakPolarHBondContact O-CB 3.06Å; H33-L36 WeakPolarHBondContact O-CG 3.19Å; H33-L36 PolarHBondContact O-N 3.37Å
34T97.4Very high95.7Very high74 Ų7460.4 Ų60.445%0.45430%0.303SS..Hα-helixtrans-68.9-24.6174.758.20000112.7Y30 M31 L36 Y62Y30-T34 WeakPolarHBondContact O-CG2 3.17Å; Y30-T34 PolarHBondContact O-N 3.03Å; Y30-T34 PolarHBondContact O-OG1 2.81Å; Y30-T34 VanDerWaalsContact O-OG1 3.11Å; M31-T34 PolarHBondContact O-OG1 3.14Å; T34-L36 PolarHBondContact O-N 3.23Å; T34-Y62 PolarHBondContact OG1-OH 3.21Å
35S98.3Very high95.4Very high0 Ų060.3 Ų60.30%031%0.311CS..Hα-helixtrans-69-18.5175.380.70000113.9M31 V32 H33 D37 V38 V39M31-S35 WeakPolarHBondContact O-CB 3.42Å; M31-S35 PolarHBondContact O-N 3.1Å; V32-S35 WeakPolarHBondContact O-CB 3.46Å; V32-S35 PolarHBondContact O-N 3.46Å; V32-S35 PolarHBondContact O-OG 3.19Å; H33-S35 PolarHBondContact O-N 3.03Å; S35-D37 VanDerWaalsContact C-N 3.29Å; S35-D37 PolarHBondContact O-N 3.11Å; S35-V38 PolarHBondContact O-N 3.43Å; S35-V39 WeakPolarHBondContact O-CG2 3.36Å; S35-V39 PolarHBondContact O-N 3.19Å; S35-V39 VanDerWaalsContact O-N 3.08Å
36L98.3Very high94.5Very high6 Ų659.6 Ų59.63%0.03131%0.308CS..Hα-helixtrans-66.5-31.7-177.8-56.8178.8000112.1I8 N12 H33 T34 V38 V39 D40 K79I8-L36 HydrophobicContact CB-CD2 4.33Å; I8-L36 HydrophobicContact CG1-CD2 4.25Å; I8-L36 HydrophobicContact CG2-CD1 3.91Å; I8-L36 HydrophobicContact CG2-CD2 4.19Å; N12-L36 HydrophobicContact CB-CD1 4.2Å; H33-L36 WeakPolarHBondContact O-CB 3.06Å; H33-L36 WeakPolarHBondContact O-CG 3.19Å; H33-L36 PolarHBondContact O-N 3.37Å; T34-L36 PolarHBondContact O-N 3.23Å; L36-V38 VanDerWaalsContact C-N 3.34Å; L36-V38 PolarHBondContact O-N 3.03Å; L36-V39 WeakPolarHBondContact O-CB 3.48Å; L36-V39 PolarHBondContact O-N 3.37Å; L36-D40 PolarHBondContact O-N 2.66Å; L36-K79 HydrophobicContact CD2-CB 4.36Å; L36-K79 HydrophobicContact CD2-CD 4.24Å
37D97.1Very high93.2Very high120 Ų12057.7 Ų57.764%0.64232%0.316SS*.Hα-helixtrans-62-43.7175.8-61.8-40.4000111.1S35 V39 D40 E41S35-D37 VanDerWaalsContact C-N 3.29Å; S35-D37 PolarHBondContact O-N 3.11Å; D37-V39 VanDerWaalsContact C-N 3.34Å; D37-V39 PolarHBondContact O-N 3.5Å; D37-D40 PolarHBondContact O-N 3.3Å; D37-E41 PolarHBondContact O-N 3.44Å
38V97.6Very high91.6Very high37 Ų3762.7 Ų62.722%0.22434%0.338CS..Hα-helixtrans-68.1-35.7177.2-175.40000111.4S35 L36 K42 L61 Y62S35-V38 PolarHBondContact O-N 3.43Å; L36-V38 VanDerWaalsContact C-N 3.34Å; L36-V38 PolarHBondContact O-N 3.03Å; V38-K42 HydrophobicContact CG1-CD 4.42Å; V38-K42 WeakPolarHBondContact O-CB 3.43Å; V38-K42 WeakPolarHBondContact O-CG 3.48Å; V38-K42 PolarHBondContact O-N 3.49Å; V38-L61 HydrophobicContact CB-CB 4.41Å; V38-L61 HydrophobicContact CG1-CB 4.01Å; V38-L61 HydrophobicContact CG1-CD2 4.23Å; V38-Y62 HydrophobicContact CG2-CD1 4.19Å
39V97Very high89.7Confident2 Ų265.8 Ų65.81%0.01236%0.363CS..Hα-helixtrans-61.6-48.2174167.90000110.5S35 L36 D37 E41 K42 I43 L58 L61 K79S35-V39 WeakPolarHBondContact O-CG2 3.36Å; S35-V39 PolarHBondContact O-N 3.19Å; S35-V39 VanDerWaalsContact O-N 3.08Å; L36-V39 WeakPolarHBondContact O-CB 3.48Å; L36-V39 PolarHBondContact O-N 3.37Å; D37-V39 VanDerWaalsContact C-N 3.34Å; D37-V39 PolarHBondContact O-N 3.5Å; V39-E41 VanDerWaalsContact C-N 3.35Å; V39-E41 PolarHBondContact O-N 2.82Å; V39-K42 PolarHBondContact O-N 2.98Å; V39-I43 HydrophobicContact CG1-CD1 3.61Å; V39-I43 HydrophobicContact CG1-CG1 4.41Å; V39-I43 WeakPolarHBondContact O-CD1 3.46Å; V39-I43 VanDerWaalsContact O-CG1 3.25Å; V39-I43 WeakPolarHBondContact O-CG1 3.49Å; V39-I43 PolarHBondContact O-N 2.86Å; V39-L58 HydrophobicContact CB-CD1 4.22Å; V39-L58 HydrophobicContact CG1-CD1 3.75Å; V39-L58 HydrophobicContact CG2-CD1 4.04Å; V39-L61 HydrophobicContact CG2-CD1 3.57Å; V39-L61 HydrophobicContact CG2-CD2 3.91Å; V39-L61 HydrophobicContact CG2-CG 4.41Å; V39-K79 HydrophobicContact CG1-CD 3.92Å; V39-K79 HydrophobicContact CG1-CG 3.89Å
40D94.8Very high87.4Confident63 Ų6370.9 Ų70.934%0.33739%0.391SS..Hα-helixtrans-65.5-38.1-179-73.3-17.6000111.8L36 D37 S44L36-D40 PolarHBondContact O-N 2.66Å; D37-D40 PolarHBondContact O-N 3.3Å; D40-S44 WeakPolarHBondContact O-CB 3.43Å; D40-S44 PolarHBondContact O-N 2.91Å; D40-S44 PolarHBondContact O-OG 3.46Å
41E94.1Very high85.2Confident142 Ų14270.9 Ų70.966%0.66441%0.407SS*.Hα-helixtrans-61.4-48.7172.9-171.4-178.5165.900111.7D37 V39 I43 S44 A45D37-E41 PolarHBondContact O-N 3.44Å; V39-E41 VanDerWaalsContact C-N 3.35Å; V39-E41 PolarHBondContact O-N 2.82Å; E41-I43 PolarHBondContact O-N 3.07Å; E41-S44 WeakPolarHBondContact O-CB 3.3Å; E41-S44 PolarHBondContact O-N 3.36Å; E41-A45 PolarHBondContact O-N 3.01Å
42K92.2Very high82.9Confident70 Ų7076.5 Ų76.530%0.30444%0.437SS..Hα-helixtrans-62.7-41.9178.6-79.3177.6175.9-1090112.4V38 V39 S44 A45 M46 L58 L60 L61V38-K42 HydrophobicContact CG1-CD 4.42Å; V38-K42 WeakPolarHBondContact O-CB 3.43Å; V38-K42 WeakPolarHBondContact O-CG 3.48Å; V38-K42 PolarHBondContact O-N 3.49Å; V39-K42 PolarHBondContact O-N 2.98Å; K42-S44 VanDerWaalsContact C-N 3.28Å; K42-S44 PolarHBondContact O-N 2.89Å; K42-A45 PolarHBondContact O-N 2.85Å; K42-M46 VanDerWaalsContact O-CG 3.3Å; K42-M46 WeakPolarHBondContact O-CG 3.17Å; K42-M46 PolarHBondContact O-N 3.01Å; K42-L58 HydrophobicContact CB-CD2 4.47Å; K42-L58 HydrophobicContact CD-CB 4.19Å; K42-L58 PolarHBondContact NZ-O 3.11Å; K42-L60 PolarHBondContact NZ-O 2.9Å; K42-L60 VanDerWaalsContact NZ-O 3.12Å; K42-L61 HydrophobicContact CD-CD2 3.82Å
43I89.7Confident80.8Confident40 Ų4083.5 Ų83.521%0.20547%0.47CS..Hα-helixtrans-61-41.8175.9-68.7164.4000110.5V39 E41 M46 G47 V73V39-I43 HydrophobicContact CG1-CD1 3.61Å; V39-I43 HydrophobicContact CG1-CG1 4.41Å; V39-I43 WeakPolarHBondContact O-CD1 3.46Å; V39-I43 VanDerWaalsContact O-CG1 3.25Å; V39-I43 WeakPolarHBondContact O-CG1 3.49Å; V39-I43 PolarHBondContact O-N 2.86Å; E41-I43 PolarHBondContact O-N 3.07Å; I43-M46 PolarHBondContact O-N 2.69Å; I43-G47 PolarHBondContact O-N 3.45Å; I43-V73 HydrophobicContact CD1-CB 4.14Å; I43-V73 HydrophobicContact CD1-CG1 4.1Å; I43-V73 HydrophobicContact CD1-CG2 3.81Å; I43-V73 HydrophobicContact CG1-CG1 4.04Å
44S88.2Confident79.2Confident81 Ų8191.7 Ų91.757%0.56650%0.498SS*.Hα-helixtrans-67.1-36.5178.9-600000112.4D40 E41 K42D40-S44 WeakPolarHBondContact O-CB 3.43Å; D40-S44 PolarHBondContact O-N 2.91Å; D40-S44 PolarHBondContact O-OG 3.46Å; E41-S44 WeakPolarHBondContact O-CB 3.3Å; E41-S44 PolarHBondContact O-N 3.36Å; K42-S44 VanDerWaalsContact C-N 3.28Å; K42-S44 PolarHBondContact O-N 2.89Å
45A85.4Confident78.4Confident59 Ų5991.8 Ų91.849%0.48849%0.493SS..Hα-helixtrans-68.6-42.3174.700000112.2E41 K42 G47 K48E41-A45 PolarHBondContact O-N 3.01Å; K42-A45 PolarHBondContact O-N 2.85Å; A45-G47 VanDerWaalsContact C-N 3.3Å; A45-G47 PolarHBondContact O-N 3.27Å; A45-K48 PolarHBondContact O-N 2.94Å; A45-K48 VanDerWaalsContact O-N 3.13Å
46M75.8Confident78.2Confident75 Ų7594 Ų9437%0.36951%0.505SS..Hα-helixtrans-61.1-36.7176.8-72.7178.874.600112.6K42 I43 K48 A49 E55 L58K42-M46 VanDerWaalsContact O-CG 3.3Å; K42-M46 WeakPolarHBondContact O-CG 3.17Å; K42-M46 PolarHBondContact O-N 3.01Å; I43-M46 PolarHBondContact O-N 2.69Å; M46-K48 PolarHBondContact O-N 2.9Å; M46-A49 CarbonylContact O-C 3.49Å; M46-A49 PolarHBondContact O-N 3.06Å; M46-E55 HydrophobicContact CE-CB 4.49Å; M46-E55 WeakPolarHBondContact CE-O 3.27Å; M46-L58 HydrophobicContact SD-CD2 3.76Å
47G66.9Low78Confident73 Ų7394.4 Ų94.475%0.75351%0.506SS*.THydrogen-bonded Turntrans-58.7-21176.800000114.3I43 A45I43-G47 PolarHBondContact O-N 3.45Å; A45-G47 VanDerWaalsContact C-N 3.3Å; A45-G47 PolarHBondContact O-N 3.27Å
48K64.9Low77.9Confident193 Ų19389.3 Ų89.384%0.83948%0.479SS*.THydrogen-bonded Turntrans-91.9-20.8176.4-62.1179.7-179176.20113.1A45 M46A45-K48 PolarHBondContact O-N 2.94Å; A45-K48 VanDerWaalsContact O-N 3.13Å; M46-K48 PolarHBondContact O-N 2.9Å
49A57.4Low77.8Confident65 Ų6588.1 Ų88.154%0.53747%0.474SS..SBendtrans-11884.6-171.200000110.8M46M46-A49 CarbonylContact O-C 3.49Å; M46-A49 PolarHBondContact O-N 3.06Å
50L49.1Very low77.8Confident149 Ų14991.1 Ų91.178%0.7849%0.489SS*.  trans69.1128.2165.8-80.391.8000119.5D52L50-D52 HydrophobicContact CD2-CB 4.43Å; L50-D52 PolarHBondContact O-N 3.38Å; L50-D52 VanDerWaalsContact O-N 3.08Å
51V50Low77.9Confident153 Ų15388.9 Ų88.993%0.92748%0.477SS*.THydrogen-bonded Turntrans-59.8-4.2167.9167.60000114
52D50.2Low78.1Confident137 Ų13784.7 Ų84.773%0.73346%0.456SS*.THydrogen-bonded Turntrans-106.6-6-158.9-121-5.2000117L50L50-D52 HydrophobicContact CD2-CB 4.43Å; L50-D52 PolarHBondContact O-N 3.38Å; L50-D52 VanDerWaalsContact O-N 3.08Å
53Q54.3Low78.3Confident146 Ų14685.3 Ų85.368%0.68247%0.467SS*.  trans-128.5105.5169.4-84.8-176.5-4600110.3E55Q53-E55 HydrophobicContact CB-CB 4.24Å; Q53-E55 PolarHBondContact O-N 3.38Å
54R64.4Low78.5Confident241 Ų24185.9 Ų85.991%0.90947%0.473SS*.  trans-63.344.9159.7-63.1176.1170.7178.4-3.1110.5L56R54-L56 PolarHBondContact O-N 2.92Å
55E80.2Confident78.8Confident75 Ų7590.6 Ų90.635%0.3549%0.485SS..  trans-76.896.7-178.2-164.8166.9-162.400108.1M46 Q53 Y57 R97M46-E55 HydrophobicContact CE-CB 4.49Å; M46-E55 WeakPolarHBondContact CE-O 3.27Å; Q53-E55 HydrophobicContact CB-CB 4.24Å; Q53-E55 PolarHBondContact O-N 3.38Å; E55-Y57 PolarHBondContact O-N 3.37Å; E55-R97 IonicContact OE1-NE 3.7Å; E55-R97 IonicContact OE1-NH2 3.83Å
56L93.5Very high79.3Confident47 Ų4791.4 Ų91.425%0.24648%0.482CS..  trans-70.6-16.7177.9-58.1-179.3000111.7R54 Y72 V73R54-L56 PolarHBondContact O-N 2.92Å; L56-Y72 HydrophobicContact CB-CD1 4.41Å; L56-Y72 HydrophobicContact CB-CD2 4.23Å; L56-Y72 HydrophobicContact CB-CE1 3.75Å; L56-Y72 HydrophobicContact CB-CE2 3.55Å; L56-Y72 WeakPolarHBondContact CB-OH 3.4Å; L56-Y72 HydrophobicContact CD1-CE1 4.28Å; L56-Y72 WeakPolarHBondContact CD1-OH 3.34Å; L56-Y72 CarbonylContact O-C 3.57Å; L56-Y72 VanDerWaalsContact O-CA 3.27Å; L56-Y72 WeakPolarHBondContact O-CA 3.36Å; L56-Y72 WeakPolarHBondContact O-CD2 3.48Å; L56-V73 WeakPolarHBondContact CA-O 3.26Å; L56-V73 VanDerWaalsContact CB-O 3.26Å; L56-V73 WeakPolarHBondContact CB-O 3.37Å; L56-V73 VanDerWaalsContact CD2-O 3.27Å; L56-V73 WeakPolarHBondContact CD2-O 3.43Å; L56-V73 PolarHBondContact O-N 3.48Å
57Y95.6Very high80.2Confident14 Ų1489 Ų896%0.05547%0.469CS..EExtended strand (participates in β ladder)trans-88.1122.1179.6177.2-116.7000110.9E55 G59 Y70 Y72 D93 I96 R97 F100E55-Y57 PolarHBondContact O-N 3.37Å; Y57-G59 VanDerWaalsContact CZ-CA 3.42Å; Y57-Y70 WeakPolarHBondContact OH-CD1 3.34Å; Y57-Y72 HydrophobicContact CD2-CD2 4.35Å; Y57-D93 VanDerWaalsContact CE1-OD1 3.29Å; Y57-D93 WeakPolarHBondContact CE1-OD1 3.46Å; Y57-D93 PolarHBondContact OH-OD1 3.33Å; Y57-I96 HydrophobicContact CE2-CG2 4.02Å; Y57-R97 HydrophobicContact CD1-CB 4.46Å; Y57-R97 HydrophobicContact CD1-CG 4.22Å; Y57-R97 VanDerWaalsContact CD1-NH2 3.33Å; Y57-R97 HydrophobicContact CE1-CB 4.45Å; Y57-R97 VanDerWaalsContact CE1-NH2 3.3Å; Y57-R97 HydrophobicContact CG-CG 4.16Å; Y57-F100 AromaticContact CD2-CD2 3.72Å; Y57-F100 HydrophobicContact CD2-CD2 3.72Å; Y57-F100 HydrophobicContact CD2-CE2 4.08Å; Y57-F100 AromaticContact CE2-CD2 3.68Å; Y57-F100 HydrophobicContact CE2-CD2 3.68Å; Y57-F100 AromaticContact CE2-CE2 3.76Å; Y57-F100 HydrophobicContact CE2-CE2 3.76Å
58L95.1Very high81.7Confident14 Ų1488.5 Ų88.57%0.07345%0.446CS..EExtended strand (participates in β ladder)trans-93.7-6.1-176.8-58178.2000113.3V39 K42 M46 L61 G71 V73V39-L58 HydrophobicContact CB-CD1 4.22Å; V39-L58 HydrophobicContact CG1-CD1 3.75Å; V39-L58 HydrophobicContact CG2-CD1 4.04Å; K42-L58 HydrophobicContact CB-CD2 4.47Å; K42-L58 HydrophobicContact CD-CB 4.19Å; K42-L58 PolarHBondContact NZ-O 3.11Å; M46-L58 HydrophobicContact SD-CD2 3.76Å; L58-L61 HydrophobicContact CB-CD2 4.14Å; L58-L61 HydrophobicContact CD1-CD2 4.49Å; L58-G71 WeakPolarHBondContact CB-O 3.46Å; L58-G71 PolarHBondContact N-O 3.22Å; L58-V73 HydrophobicContact CD1-CB 4.29Å; L58-V73 HydrophobicContact CD1-CG1 4.1Å; L58-V73 HydrophobicContact CD2-CG1 3.97Å; L58-V73 HydrophobicContact CG-CG1 4.17Å
59G95.3Very high83.3Confident11 Ų1179.3 Ų79.311%0.11341%0.406CS..EExtended strand (participates in β ladder)trans76.1-157.8-176.600000113.4Y57 L61 Y70 G71Y57-G59 VanDerWaalsContact CZ-CA 3.42Å; G59-L61 PolarHBondContact O-N 3.06Å; G59-Y70 WeakPolarHBondContact O-CA 3.29Å; G59-G71 PolarHBondContact O-N 3.26Å
60L96.6Very high85.2Confident65 Ų6577.2 Ų77.234%0.3438%0.384SS..EExtended strand (participates in β ladder)trans-62.7125.4168-175.569.4000109K42 K68 Y70K42-L60 PolarHBondContact NZ-O 2.9Å; K42-L60 VanDerWaalsContact NZ-O 3.12Å; L60-K68 HydrophobicContact CD1-CB 3.76Å; L60-K68 HydrophobicContact CD1-CG 4.23Å; L60-Y70 HydrophobicContact CB-CD1 4.25Å; L60-Y70 HydrophobicContact CB-CE1 3.98Å; L60-Y70 HydrophobicContact CD1-CE1 4.18Å; L60-Y70 HydrophobicContact CD1-CE2 4.18Å
61L97.6Very high87.6Confident17 Ų1770.1 Ų70.19%0.08935%0.347CS..EExtended strand (participates in β ladder)trans-82.1-57.9172.7-59.8-180000109.2V38 V39 K42 L58 G59 V69V38-L61 HydrophobicContact CB-CB 4.41Å; V38-L61 HydrophobicContact CG1-CB 4.01Å; V38-L61 HydrophobicContact CG1-CD2 4.23Å; V39-L61 HydrophobicContact CG2-CD1 3.57Å; V39-L61 HydrophobicContact CG2-CD2 3.91Å; V39-L61 HydrophobicContact CG2-CG 4.41Å; K42-L61 HydrophobicContact CD-CD2 3.82Å; L58-L61 HydrophobicContact CB-CD2 4.14Å; L58-L61 HydrophobicContact CD1-CD2 4.49Å; G59-L61 PolarHBondContact O-N 3.06Å; L61-V69 WeakPolarHBondContact CB-O 3.31Å; L61-V69 HydrophobicContact CD1-CG1 4.2Å; L61-V69 PolarHBondContact N-O 2.92Å
62Y97.6Very high89.9Confident53 Ų5363.6 Ų63.621%0.20831%0.306CS..EExtended strand (participates in β ladder)trans-157.3150.8171.862.2-87.8000110.7M31 T34 V38 T64 V69M31-Y62 WeakPolarHBondContact CG-OH 3.42Å; M31-Y62 PolarHBondContact O-OH 3Å; M31-Y62 VanDerWaalsContact O-OH 3.06Å; T34-Y62 PolarHBondContact OG1-OH 3.21Å; V38-Y62 HydrophobicContact CG2-CD1 4.19Å; Y62-T64 HydrophobicContact CD2-CG2 3.94Å; Y62-T64 HydrophobicContact CE2-CG2 3.65Å; Y62-V69 HydrophobicContact CD1-CB 4.46Å; Y62-V69 HydrophobicContact CD2-CG2 4.36Å; Y62-V69 HydrophobicContact CE1-CB 4.21Å; Y62-V69 HydrophobicContact CE1-CG1 4.34Å; Y62-V69 HydrophobicContact CE1-CG2 4.26Å; Y62-V69 HydrophobicContact CE2-CG2 3.83Å; Y62-V69 PolarHBondContact O-N 3.13Å; Y62-V69 VanDerWaalsContact O-N 3.07Å
63P96.5Very high92.1Very high84 Ų8457.6 Ų57.655%0.54527%0.274SS..EExtended strand (participates in β ladder)trans-89.3151.1166.135.6-32000111.1
64T95Very high94Very high52 Ų5250.8 Ų50.832%0.31924%0.243SC..  trans-115.7-179.1159.574.30000108.6M31 Y62 Y67M31-T64 HydrophobicContact CE-CG2 4.23Å; Y62-T64 HydrophobicContact CD2-CG2 3.94Å; Y62-T64 HydrophobicContact CE2-CG2 3.65Å; T64-Y67 PolarHBondContact N-O 3.18Å; T64-Y67 PolarHBondContact OG1-N 3.04Å; T64-Y67 PolarHBondContact OG1-O 3.07Å
65E94.1Very high95.4Very high179 Ų17945.5 Ų45.584%0.83623%0.232SC*.SBendtrans-56.3-55.6173.3-172.6172.4-171.700111S86E65-S86 WeakPolarHBondContact O-CB 3.39Å; E65-S86 PolarHBondContact O-OG 3.31Å
66D94.5Very high96Very high77 Ų7744.8 Ų44.841%0.41224%0.236SC..SBendtrans-86.4-21.6-174.9-55.7-36.2000114.9K27 S86K27-D66 IonicContact NZ-OD2 3.15Å; D66-S86 WeakPolarHBondContact O-CB 3.47Å; D66-S86 PolarHBondContact O-N 3.24Å
67Y96.5Very high96Very high25 Ų2547.4 Ų47.410%0.09825%0.245CC..EExtended strand (participates in β ladder)trans-139.2155.8-165.3-58.2-68.6000113.8V3 F28 M31 T64 V83 V84 S86V3-Y67 HydrophobicContact CB-CE1 4.38Å; V3-Y67 HydrophobicContact CG1-CE1 4.25Å; V3-Y67 HydrophobicContact CG2-CD1 3.7Å; V3-Y67 HydrophobicContact CG2-CE1 3.63Å; F28-Y67 HydrophobicContact CE1-CD1 4.47Å; F28-Y67 HydrophobicContact CE1-CE1 4.1Å; F28-Y67 HydrophobicContact CE1-CE2 4.23Å; F28-Y67 AromaticContact CE1-CZ 3.96Å; F28-Y67 HydrophobicContact CZ-CE1 4.18Å; F28-Y67 AromaticContact CZ-CZ 3.93Å; M31-Y67 HydrophobicContact CE-CD2 3.69Å; M31-Y67 HydrophobicContact CE-CE2 4.5Å; M31-Y67 HydrophobicContact CE-CG 4.33Å; M31-Y67 HydrophobicContact SD-CD2 4.36Å; M31-Y67 HydrophobicContact SD-CG 4.49Å; T64-Y67 PolarHBondContact N-O 3.18Å; T64-Y67 PolarHBondContact OG1-N 3.04Å; T64-Y67 PolarHBondContact OG1-O 3.07Å; Y67-V83 HydrophobicContact CD1-CG1 3.89Å; Y67-V83 HydrophobicContact CG-CG1 3.83Å; Y67-V84 CarbonylContact C-O 3.58Å; Y67-V84 VanDerWaalsContact CA-O 3.28Å; Y67-V84 WeakPolarHBondContact CA-O 3.43Å; Y67-S86 VanDerWaalsContact C-OG 3.23Å; Y67-S86 WeakPolarHBondContact CA-OG 3.29Å; Y67-S86 PolarHBondContact N-OG 3.01Å; Y67-S86 PolarHBondContact O-OG 3.01Å
68K97.2Very high96.1Very high62 Ų6247.2 Ų47.227%0.2725%0.245SC..EExtended strand (participates in β ladder)trans-117.4127.9167.3-67.1170.5-172.4161.70108.8L60 Y70 V84 S86L60-K68 HydrophobicContact CD1-CB 3.76Å; L60-K68 HydrophobicContact CD1-CG 4.23Å; K68-Y70 HydrophobicContact CB-CD2 4.31Å; K68-Y70 HydrophobicContact CB-CE2 3.54Å; K68-V84 HydrophobicContact CB-CG2 3.85Å; K68-V84 PolarHBondContact N-O 3.29Å; K68-V84 PolarHBondContact O-N 3.22Å; K68-S86 PolarHBondContact NZ-O 2.88Å
69V98.3Very high96.3Very high0 Ų047 Ų470%024%0.244CC..EExtended strand (participates in β ladder)trans-104.8119.9-178.1-171.10000109.2M31 L61 Y62 V81 V83M31-V69 HydrophobicContact CG-CG2 3.82Å; M31-V69 HydrophobicContact SD-CG2 3.78Å; L61-V69 WeakPolarHBondContact CB-O 3.31Å; L61-V69 HydrophobicContact CD1-CG1 4.2Å; L61-V69 PolarHBondContact N-O 2.92Å; Y62-V69 HydrophobicContact CD1-CB 4.46Å; Y62-V69 HydrophobicContact CD2-CG2 4.36Å; Y62-V69 HydrophobicContact CE1-CB 4.21Å; Y62-V69 HydrophobicContact CE1-CG1 4.34Å; Y62-V69 HydrophobicContact CE1-CG2 4.26Å; Y62-V69 HydrophobicContact CE2-CG2 3.83Å; Y62-V69 PolarHBondContact O-N 3.13Å; Y62-V69 VanDerWaalsContact O-N 3.07Å; V69-V81 HydrophobicContact CG1-CG1 3.63Å; V69-V83 HydrophobicContact CG1-CG2 4.46Å; V69-V83 HydrophobicContact CG2-CG2 4.44Å
70Y98.3Very high96.4Very high21 Ų2146.5 Ų46.58%0.08224%0.239CC..EExtended strand (participates in β ladder)trans-111.5147.8179.5-64.7-96.6000111.1Y57 G59 L60 K68 V81 M82 V84 I96Y57-Y70 WeakPolarHBondContact OH-CD1 3.34Å; G59-Y70 WeakPolarHBondContact O-CA 3.29Å; L60-Y70 HydrophobicContact CB-CD1 4.25Å; L60-Y70 HydrophobicContact CB-CE1 3.98Å; L60-Y70 HydrophobicContact CD1-CE1 4.18Å; L60-Y70 HydrophobicContact CD1-CE2 4.18Å; K68-Y70 HydrophobicContact CB-CD2 4.31Å; K68-Y70 HydrophobicContact CB-CE2 3.54Å; Y70-V81 WeakPolarHBondContact O-CA 3.38Å; Y70-M82 PolarHBondContact N-O 3.39Å; Y70-M82 PolarHBondContact O-N 2.96Å; Y70-V84 HydrophobicContact CD2-CG2 4.16Å; Y70-V84 HydrophobicContact CE2-CG2 3.62Å; Y70-I96 HydrophobicContact CD1-CG1 4.48Å; Y70-I96 HydrophobicContact CD1-CG2 3.88Å; Y70-I96 HydrophobicContact CD2-CG2 4.32Å; Y70-I96 HydrophobicContact CE1-CG1 4.29Å; Y70-I96 HydrophobicContact CE1-CG2 4.48Å; Y70-I96 HydrophobicContact CE2-CG1 4.32Å; Y70-I96 HydrophobicContact CG-CG2 3.8Å
71G98.3Very high96.5Very high0 Ų043.4 Ų43.40%022%0.222CC..EExtended strand (participates in β ladder)trans-122.6148.8-176.900000113.4L58 G59L58-G71 WeakPolarHBondContact CB-O 3.46Å; L58-G71 PolarHBondContact N-O 3.22Å; G59-G71 PolarHBondContact O-N 3.26Å
72Y98.1Very high96.6Very high16 Ų1642.6 Ų42.66%0.06322%0.218CC..EExtended strand (participates in β ladder)trans-145137.2171.3-176.9-80.8000108.6L56 Y57 T74 K79 F80 F100 H104L56-Y72 HydrophobicContact CB-CD1 4.41Å; L56-Y72 HydrophobicContact CB-CD2 4.23Å; L56-Y72 HydrophobicContact CB-CE1 3.75Å; L56-Y72 HydrophobicContact CB-CE2 3.55Å; L56-Y72 WeakPolarHBondContact CB-OH 3.4Å; L56-Y72 HydrophobicContact CD1-CE1 4.28Å; L56-Y72 WeakPolarHBondContact CD1-OH 3.34Å; L56-Y72 CarbonylContact O-C 3.57Å; L56-Y72 VanDerWaalsContact O-CA 3.27Å; L56-Y72 WeakPolarHBondContact O-CA 3.36Å; L56-Y72 WeakPolarHBondContact O-CD2 3.48Å; Y57-Y72 HydrophobicContact CD2-CD2 4.35Å; Y72-T74 HydrophobicContact CE1-CG2 4.17Å; Y72-K79 CarbonylContact O-C 3.45Å; Y72-F80 AromaticContact CD1-CD2 3.54Å; Y72-F80 HydrophobicContact CD1-CD2 3.54Å; Y72-F80 AromaticContact CD1-CE2 3.96Å; Y72-F80 HydrophobicContact CD1-CE2 3.96Å; Y72-F80 HydrophobicContact CD1-CG 4.3Å; Y72-F80 HydrophobicContact CE1-CD2 4.11Å; Y72-F80 HydrophobicContact CE1-CE2 4.07Å; Y72-F80 HydrophobicContact CG-CD2 4.28Å; Y72-F80 PolarHBondContact N-O 3.43Å; Y72-F80 PolarHBondContact O-N 3.03Å; Y72-F100 HydrophobicContact CD2-CB 3.59Å; Y72-F100 HydrophobicContact CD2-CD1 4.33Å; Y72-F100 AromaticContact CD2-CG 3.93Å; Y72-F100 HydrophobicContact CD2-CG 3.93Å; Y72-F100 HydrophobicContact CE2-CB 4.09Å; Y72-F100 HydrophobicContact CG-CB 4.01Å; Y72-F100 AromaticContact CG-CD1 3.94Å; Y72-F100 HydrophobicContact CG-CD1 3.94Å; Y72-F100 HydrophobicContact CG-CG 4.01Å; Y72-H104 HydrophobicContact CE1-CB 4.32Å; Y72-H104 AromaticContact CE1-ND1 3.36Å; Y72-H104 WeakPolarHBondContact CE1-ND1 3.35Å; Y72-H104 AromaticContact CZ-ND1 3.51Å; Y72-H104 PolarHBondContact OH-ND1 2.87Å
73V97Very high96.6Very high11 Ų1140.1 Ų40.17%0.06721%0.208CC..EExtended strand (participates in β ladder)trans-125.1125.9178.5640000109.8I43 L56 L58 K79I43-V73 HydrophobicContact CD1-CB 4.14Å; I43-V73 HydrophobicContact CD1-CG1 4.1Å; I43-V73 HydrophobicContact CD1-CG2 3.81Å; I43-V73 HydrophobicContact CG1-CG1 4.04Å; L56-V73 WeakPolarHBondContact CA-O 3.26Å; L56-V73 VanDerWaalsContact CB-O 3.26Å; L56-V73 WeakPolarHBondContact CB-O 3.37Å; L56-V73 VanDerWaalsContact CD2-O 3.27Å; L56-V73 WeakPolarHBondContact CD2-O 3.43Å; L56-V73 PolarHBondContact O-N 3.48Å; L58-V73 HydrophobicContact CD1-CB 4.29Å; L58-V73 HydrophobicContact CD1-CG1 4.1Å; L58-V73 HydrophobicContact CD2-CG1 3.97Å; L58-V73 HydrophobicContact CG-CG1 4.17Å; V73-K79 HydrophobicContact CG2-CG 4.16Å
74T95.6Very high96.6Very high3 Ų336.2 Ų36.22%0.01818%0.183CC..  trans-74.3163.3175.967.60000110.8Y72 S76 K77 V78 F80Y72-T74 HydrophobicContact CE1-CG2 4.17Å; T74-S76 PolarHBondContact O-N 3.2Å; T74-S76 PolarHBondContact OG1-N 2.87Å; T74-S76 PolarHBondContact OG1-OG 3.43Å; T74-K77 WeakPolarHBondContact O-CA 3.46Å; T74-K77 PolarHBondContact O-N 2.96Å; T74-V78 HydrophobicContact CG2-CB 4.41Å; T74-V78 PolarHBondContact N-O 3.29Å; T74-V78 WeakPolarHBondContact OG1-CB 3.43Å; T74-V78 PolarHBondContact OG1-N 2.75Å; T74-V78 VanDerWaalsContact OG1-N 3.14Å; T74-V78 PolarHBondContact OG1-O 2.73Å; T74-F80 HydrophobicContact CG2-CE1 4.04Å; T74-F80 HydrophobicContact CG2-CE2 3.83Å; T74-F80 HydrophobicContact CG2-CZ 3.5Å; T74-F80 VanDerWaalsContact CG2-CZ 3.5Å
75N92.2Very high96.6Very high130 Ų13036.5 Ų36.570%0.69518%0.183SC*.THydrogen-bonded Turntrans-56.3-30.8169.459.3-35000112.9K77N75-K77 PolarHBondContact O-N 2.55Å
76S93.2Very high96.6Very high60 Ų6029.3 Ų29.342%0.4215%0.152SC..THydrogen-bonded Turntrans-76.43.6174.472.20000114.3T74 V78T74-S76 PolarHBondContact O-N 3.2Å; T74-S76 PolarHBondContact OG1-N 2.87Å; T74-S76 PolarHBondContact OG1-OG 3.43Å; S76-V78 PolarHBondContact O-N 3.44Å; S76-V78 WeakPolarHBondContact OG-CG2 3.35Å
77K94.5Very high96.4Very high102 Ų10230 Ų3044%0.44316%0.163SC..  trans66.215.3-178.3-50.8-60.4-176176.60114.8K10 T74 N75 K79K10-K77 WeakPolarHBondContact CA-O 3.45Å; K10-K77 HydrophobicContact CB-CB 4.2Å; K10-K77 HydrophobicContact CD-CB 4.11Å; K10-K77 HydrophobicContact CG-CB 3.84Å; T74-K77 WeakPolarHBondContact O-CA 3.46Å; T74-K77 PolarHBondContact O-N 2.96Å; N75-K77 PolarHBondContact O-N 2.55Å; K77-K79 WeakPolarHBondContact O-CE 3.34Å
78V97.6Very high96Very high10 Ų1031 Ų316%0.06117%0.17CC..  trans-74.3135.9165.81790000108.9V7 I8 L15 T74 S76 F80 Y107V7-V78 HydrophobicContact CG1-CG1 3.62Å; I8-V78 VanDerWaalsContact O-CG1 3.31Å; I8-V78 WeakPolarHBondContact O-CG1 3.39Å; L15-V78 HydrophobicContact CD1-CG1 4.34Å; T74-V78 HydrophobicContact CG2-CB 4.41Å; T74-V78 PolarHBondContact N-O 3.29Å; T74-V78 WeakPolarHBondContact OG1-CB 3.43Å; T74-V78 PolarHBondContact OG1-N 2.75Å; T74-V78 VanDerWaalsContact OG1-N 3.14Å; T74-V78 PolarHBondContact OG1-O 2.73Å; S76-V78 PolarHBondContact O-N 3.44Å; S76-V78 WeakPolarHBondContact OG-CG2 3.35Å; V78-F80 HydrophobicContact CG1-CD1 4.17Å; V78-F80 HydrophobicContact CG1-CE1 3.66Å; V78-Y107 HydrophobicContact CG1-CE1 4.38Å; V78-Y107 HydrophobicContact CG1-CE2 4.33Å; V78-Y107 WeakPolarHBondContact CG2-OH 3.36Å
79K98.3Very high95.4Very high10 Ų1034 Ų344%0.04319%0.193CC..EExtended strand (participates in β ladder)trans-111.9120.9-169.1-68.8157.6-85.6-161.80109.1I8 A9 K10 N12 L36 V39 Y72 V73 K77I8-K79 HydrophobicContact CB-CB 4.3Å; I8-K79 PolarHBondContact N-O 2.88Å; I8-K79 PolarHBondContact O-N 3.34Å; A9-K79 VanDerWaalsContact O-CE 3.26Å; A9-K79 WeakPolarHBondContact O-CE 3.39Å; K10-K79 PolarHBondContact O-NZ 2.81Å; N12-K79 PolarHBondContact OD1-NZ 3.3Å; L36-K79 HydrophobicContact CD2-CB 4.36Å; L36-K79 HydrophobicContact CD2-CD 4.24Å; V39-K79 HydrophobicContact CG1-CD 3.92Å; V39-K79 HydrophobicContact CG1-CG 3.89Å; Y72-K79 CarbonylContact O-C 3.45Å; V73-K79 HydrophobicContact CG2-CG 4.16Å; K77-K79 WeakPolarHBondContact O-CE 3.34Å
80F98.7Very high94.8Very high0 Ų037.4 Ų37.40%022%0.222CC..EExtended strand (participates in β ladder)trans-101136.6172.4-49.2-25.1000109.5A6 V7 Y72 T74 V78 F100 L103 H104 Y107A6-F80 VanDerWaalsContact O-CA 3.29Å; A6-F80 WeakPolarHBondContact O-CA 3.26Å; V7-F80 HydrophobicContact CB-CD1 4.13Å; V7-F80 HydrophobicContact CB-CE1 4.35Å; V7-F80 HydrophobicContact CG1-CD1 3.77Å; V7-F80 HydrophobicContact CG1-CE1 3.61Å; V7-F80 HydrophobicContact CG2-CD1 3.79Å; V7-F80 HydrophobicContact CG2-CE1 4Å; Y72-F80 AromaticContact CD1-CD2 3.54Å; Y72-F80 HydrophobicContact CD1-CD2 3.54Å; Y72-F80 AromaticContact CD1-CE2 3.96Å; Y72-F80 HydrophobicContact CD1-CE2 3.96Å; Y72-F80 HydrophobicContact CD1-CG 4.3Å; Y72-F80 HydrophobicContact CE1-CD2 4.11Å; Y72-F80 HydrophobicContact CE1-CE2 4.07Å; Y72-F80 HydrophobicContact CG-CD2 4.28Å; Y72-F80 PolarHBondContact N-O 3.43Å; Y72-F80 PolarHBondContact O-N 3.03Å; T74-F80 HydrophobicContact CG2-CE1 4.04Å; T74-F80 HydrophobicContact CG2-CE2 3.83Å; T74-F80 HydrophobicContact CG2-CZ 3.5Å; T74-F80 VanDerWaalsContact CG2-CZ 3.5Å; V78-F80 HydrophobicContact CG1-CD1 4.17Å; V78-F80 HydrophobicContact CG1-CE1 3.66Å; F80-F100 HydrophobicContact CB-CD1 3.98Å; F80-F100 HydrophobicContact CB-CE1 3.78Å; F80-F100 HydrophobicContact CD2-CD1 4.37Å; F80-L103 HydrophobicContact CB-CD2 3.97Å; F80-L103 HydrophobicContact CD2-CD2 3.98Å; F80-L103 HydrophobicContact CD2-CG 4.23Å; F80-L103 HydrophobicContact CE2-CG 4.48Å; F80-L103 HydrophobicContact CG-CD2 4Å; F80-H104 HydrophobicContact CE2-CB 3.76Å; F80-H104 AromaticContact CE2-CG 3.99Å; F80-Y107 HydrophobicContact CE1-CD1 4.16Å; F80-Y107 HydrophobicContact CE1-CD2 4.34Å; F80-Y107 HydrophobicContact CE1-CG 4.06Å; F80-Y107 AromaticContact CZ-CD1 3.72Å; F80-Y107 HydrophobicContact CZ-CD1 3.72Å; F80-Y107 HydrophobicContact CZ-CD2 4.49Å; F80-Y107 HydrophobicContact CZ-CE1 4.39Å; F80-Y107 AromaticContact CZ-CG 3.77Å; F80-Y107 HydrophobicContact CZ-CG 3.77Å
81V98.7Very high94.4Very high0 Ų037.7 Ų37.70%023%0.225CC..EExtended strand (participates in β ladder)trans-124.7131.5177.6-178.30000108.3I5 A6 V32 V69 Y70 V83I5-V81 WeakPolarHBondContact CA-O 3.45Å; A6-V81 HydrophobicContact CB-CB 4.36Å; A6-V81 PolarHBondContact N-O 3.49Å; A6-V81 PolarHBondContact O-N 3.08Å; V32-V81 HydrophobicContact CG1-CB 4.28Å; V32-V81 HydrophobicContact CG1-CG2 4.24Å; V32-V81 HydrophobicContact CG2-CB 4.34Å; V32-V81 HydrophobicContact CG2-CG1 4.07Å; V69-V81 HydrophobicContact CG1-CG1 3.63Å; Y70-V81 WeakPolarHBondContact O-CA 3.38Å; V81-V83 HydrophobicContact CG1-CG2 4.47Å
82M98.4Very high94Very high0 Ų046.4 Ų46.40%026%0.257CS..EExtended strand (participates in β ladder)trans-122.5124.7172.5-68-174.984.400109.2A2 C4 I5 Y70 M99 F100 M135A2-M82 HydrophobicContact CB-CE 3.92Å; C4-M82 WeakPolarHBondContact O-CA 3.39Å; I5-M82 HydrophobicContact CD1-CE 3.68Å; I5-M82 HydrophobicContact CG1-CE 3.84Å; I5-M82 HydrophobicContact CG1-CG 4.22Å; I5-M82 HydrophobicContact CG2-CG 4.49Å; Y70-M82 PolarHBondContact N-O 3.39Å; Y70-M82 PolarHBondContact O-N 2.96Å; M82-M99 HydrophobicContact CE-CB 3.85Å; M82-M99 HydrophobicContact CE-CE 3.99Å; M82-M99 HydrophobicContact CE-CG 4.48Å; M82-M99 HydrophobicContact CE-SD 3.96Å; M82-M99 HydrophobicContact SD-CB 3.96Å; M82-F100 HydrophobicContact CB-CE1 4.13Å; M82-F100 HydrophobicContact CB-CE2 4.34Å; M82-F100 HydrophobicContact CB-CZ 3.69Å; M82-F100 HydrophobicContact CG-CD1 4.15Å; M82-F100 HydrophobicContact CG-CE1 3.46Å; M82-F100 VanDerWaalsContact CG-CE1 3.46Å; M82-F100 HydrophobicContact CG-CE2 4.27Å; M82-F100 HydrophobicContact CG-CZ 3.53Å; M82-F100 HydrophobicContact SD-CD1 3.92Å; M82-F100 HydrophobicContact SD-CD2 4.22Å; M82-F100 HydrophobicContact SD-CE1 3.81Å; M82-F100 HydrophobicContact SD-CE2 4.1Å; M82-F100 HydrophobicContact SD-CG 4.13Å; M82-F100 HydrophobicContact SD-CZ 3.9Å; M82-M135 HydrophobicContact CE-CB 4.42Å; M82-M135 HydrophobicContact CE-CE 3.93Å; M82-M135 HydrophobicContact CE-SD 4.35Å
83V97.9Very high93.7Very high0 Ų048.6 Ų48.60%027%0.27CS..EExtended strand (participates in β ladder)trans-104.4128.8174.4-171.80000108.1A2 V3 C4 F28 M31 Y67 V69 V81A2-V83 CarbonylContact C-O 3.53Å; A2-V83 WeakPolarHBondContact CA-O 3.23Å; A2-V83 WeakPolarHBondContact CB-O 3.48Å; V3-V83 HydrophobicContact CG2-CB 3.94Å; V3-V83 HydrophobicContact CG2-CG1 3.69Å; V3-V83 VanDerWaalsContact CG2-O 3.31Å; V3-V83 WeakPolarHBondContact CG2-O 3.22Å; V3-V83 PolarHBondContact N-O 3.23Å; C4-V83 HydrophobicContact CB-CB 3.91Å; C4-V83 HydrophobicContact CB-CG2 3.96Å; C4-V83 PolarHBondContact N-O 3.47Å; C4-V83 PolarHBondContact O-N 3.42Å; F28-V83 HydrophobicContact CD1-CG1 4.38Å; F28-V83 HydrophobicContact CE1-CG1 4.16Å; M31-V83 HydrophobicContact CG-CG2 4.49Å; M31-V83 HydrophobicContact SD-CB 4.44Å; M31-V83 HydrophobicContact SD-CG1 3.55Å; M31-V83 VanDerWaalsContact SD-CG1 3.55Å; M31-V83 HydrophobicContact SD-CG2 3.98Å; Y67-V83 HydrophobicContact CD1-CG1 3.89Å; Y67-V83 HydrophobicContact CG-CG1 3.83Å; V69-V83 HydrophobicContact CG1-CG2 4.46Å; V69-V83 HydrophobicContact CG2-CG2 4.44Å; V81-V83 HydrophobicContact CG1-CG2 4.47Å
84V96.6Very high93.5Very high3 Ų353.5 Ų53.52%0.01830%0.296CS..EExtended strand (participates in β ladder)trans-126.7149.2178.6-52.50000109.6A2 Y67 K68 Y70 S86 L91 I96A2-V84 HydrophobicContact CB-CG1 4.17Å; Y67-V84 CarbonylContact C-O 3.58Å; Y67-V84 VanDerWaalsContact CA-O 3.28Å; Y67-V84 WeakPolarHBondContact CA-O 3.43Å; K68-V84 HydrophobicContact CB-CG2 3.85Å; K68-V84 PolarHBondContact N-O 3.29Å; K68-V84 PolarHBondContact O-N 3.22Å; Y70-V84 HydrophobicContact CD2-CG2 4.16Å; Y70-V84 HydrophobicContact CE2-CG2 3.62Å; V84-S86 PolarHBondContact O-N 3.08Å; V84-L91 HydrophobicContact CB-CD1 4Å; V84-L91 HydrophobicContact CG1-CD1 3.83Å; V84-I96 HydrophobicContact CG1-CD1 4Å
85D94.4Very high93.5Very high58 Ų5856.7 Ų56.731%0.3131%0.311SS..EExtended strand (participates in β ladder)trans-63.2131.7174.5-167.9-54.7000110.5V3 S87 N88V3-D85 HydrophobicContact CG1-CB 4.44Å; D85-S87 VanDerWaalsContact CG-OG 3.3Å; D85-S87 PolarHBondContact O-N 2.79Å; D85-S87 VanDerWaalsContact OD1-CB 3.23Å; D85-S87 WeakPolarHBondContact OD1-CB 3.32Å; D85-S87 PolarHBondContact OD1-N 3.41Å; D85-S87 PolarHBondContact OD1-OG 3.12Å; D85-N88 WeakPolarHBondContact O-CB 3.47Å; D85-N88 PolarHBondContact O-N 2.77Å; D85-N88 VanDerWaalsContact O-N 3.08Å
86S93.6Very high93.7Very high27 Ų2750.5 Ų50.519%0.18928%0.278CS..THydrogen-bonded Turntrans-60.1-30.3-179.8-82.10000113E65 D66 Y67 K68 V84 N88E65-S86 WeakPolarHBondContact O-CB 3.39Å; E65-S86 PolarHBondContact O-OG 3.31Å; D66-S86 WeakPolarHBondContact O-CB 3.47Å; D66-S86 PolarHBondContact O-N 3.24Å; Y67-S86 VanDerWaalsContact C-OG 3.23Å; Y67-S86 WeakPolarHBondContact CA-OG 3.29Å; Y67-S86 PolarHBondContact N-OG 3.01Å; Y67-S86 PolarHBondContact O-OG 3.01Å; K68-S86 PolarHBondContact NZ-O 2.88Å; V84-S86 PolarHBondContact O-N 3.08Å; S86-N88 VanDerWaalsContact C-N 3.26Å; S86-N88 PolarHBondContact O-N 2.95Å
87S91.2Very high93.8Very high91 Ų9150.2 Ų50.264%0.63627%0.268SS*.THydrogen-bonded Turntrans-72.2-16177.871.40000113.4D85 T89D85-S87 VanDerWaalsContact CG-OG 3.3Å; D85-S87 PolarHBondContact O-N 2.79Å; D85-S87 VanDerWaalsContact OD1-CB 3.23Å; D85-S87 WeakPolarHBondContact OD1-CB 3.32Å; D85-S87 PolarHBondContact OD1-N 3.41Å; D85-S87 PolarHBondContact OD1-OG 3.12Å; S87-T89 VanDerWaalsContact C-N 3.29Å; S87-T89 PolarHBondContact O-N 2.91Å
88N88Confident93.9Very high47 Ų4747.3 Ų47.325%0.25126%0.26SS..  trans-78.475.6-179.8-162-31.6000111.7M1 D85 S86 A90 L91M1-N88 PolarHBondContact N-ND2 2.64Å; M1-N88 VanDerWaalsContact N-ND2 3.12Å; D85-N88 WeakPolarHBondContact O-CB 3.47Å; D85-N88 PolarHBondContact O-N 2.77Å; D85-N88 VanDerWaalsContact O-N 3.08Å; S86-N88 VanDerWaalsContact C-N 3.26Å; S86-N88 PolarHBondContact O-N 2.95Å; N88-A90 PolarHBondContact O-N 2.83Å; N88-L91 PolarHBondContact O-N 3.4Å
89T84.4Confident93.9Very high124 Ų12447.9 Ų47.976%0.76126%0.262SS*.THydrogen-bonded Turntrans-67.5-17-178.156.60000114.2S87 L91S87-T89 VanDerWaalsContact C-N 3.29Å; S87-T89 PolarHBondContact O-N 2.91Å; T89-L91 VanDerWaalsContact C-N 3.32Å
90A86.3Confident93.9Very high72 Ų7247.4 Ų47.460%0.59526%0.26SS*.THydrogen-bonded Turntrans-72.3-24.7178.500000113.2N88 R92N88-A90 PolarHBondContact O-N 2.83Å; A90-R92 PolarHBondContact O-N 3.25Å; A90-R92 VanDerWaalsContact O-N 3.17Å
91L88.9Confident93.8Very high28 Ų2852.9 Ų52.915%0.14728%0.281CS..  trans-8191.9176.3-75.8179.2000110.6M1 V84 N88 T89 E95 I96 M99M1-L91 WeakPolarHBondContact O-CD1 3.37Å; V84-L91 HydrophobicContact CB-CD1 4Å; V84-L91 HydrophobicContact CG1-CD1 3.83Å; N88-L91 PolarHBondContact O-N 3.4Å; T89-L91 VanDerWaalsContact C-N 3.32Å; L91-E95 HydrophobicContact CD2-CB 4.28Å; L91-I96 HydrophobicContact CB-CD1 4.01Å; L91-I96 HydrophobicContact CD1-CD1 4.1Å; L91-I96 HydrophobicContact CD2-CD1 4.31Å; L91-I96 HydrophobicContact CG-CD1 4.39Å; L91-M99 HydrophobicContact CD2-CE 3.88Å
92R90.2Very high93.8Very high182 Ų18258.4 Ų58.469%0.68731%0.305SS*.  trans-86171.2171.8-27.9-178.6-144.8-178.43.1110.3A90 N94 E95 I96A90-R92 PolarHBondContact O-N 3.25Å; A90-R92 VanDerWaalsContact O-N 3.17Å; R92-N94 PolarHBondContact O-N 3.23Å; R92-E95 WeakPolarHBondContact CA-OE2 3.44Å; R92-E95 WeakPolarHBondContact CB-OE2 3.41Å; R92-E95 PolarHBondContact N-OE2 3.5Å; R92-E95 VanDerWaalsContact N-OE2 3.14Å; R92-E95 PolarHBondContact O-N 3.2Å; R92-E95 VanDerWaalsContact O-N 3.11Å; R92-I96 WeakPolarHBondContact O-CG1 3.38Å; R92-I96 PolarHBondContact O-N 3.16Å; R92-I96 VanDerWaalsContact O-N 3.1Å
93D91.7Very high93.8Very high62 Ų6258.4 Ų58.433%0.33231%0.305SS..Hα-helixtrans-56.1-35.5-175.4-17175.7000113.2Y57 I96 R97Y57-D93 VanDerWaalsContact CE1-OD1 3.29Å; Y57-D93 WeakPolarHBondContact CE1-OD1 3.46Å; Y57-D93 PolarHBondContact OH-OD1 3.33Å; D93-I96 PolarHBondContact O-N 3.03Å; D93-R97 VanDerWaalsContact O-CB 3.31Å; D93-R97 WeakPolarHBondContact O-CB 3.42Å; D93-R97 PolarHBondContact O-N 3.42Å; D93-R97 IonicContact OD2-CZ 2.73Å; D93-R97 IonicContact OD2-NH1 3.81Å; D93-R97 PolarHBondContact OD2-NH1 3.5Å; D93-R97 IonicContact OD2-NH2 4Å; D93-R97 PolarHBondContact OD2-NH2 3.43Å
94N93.5Very high93.8Very high114 Ų11459.7 Ų59.761%0.6131%0.311SS*.Hα-helixtrans-68.7-37.8178.8-76.2-25.4000113R92 R97 S98R92-N94 PolarHBondContact O-N 3.23Å; N94-R97 PolarHBondContact OD1-NH1 3.14Å; N94-S98 WeakPolarHBondContact O-CB 3.31Å; N94-S98 PolarHBondContact O-N 3.4Å
95E95.1Very high93.8Very high71 Ų7164.6 Ų64.633%0.33234%0.337SS..Hα-helixtrans-67.3-44.6175.1-65.577.3-174.800110.2L91 R92 S98 M99L91-E95 HydrophobicContact CD2-CB 4.28Å; R92-E95 WeakPolarHBondContact CA-OE2 3.44Å; R92-E95 WeakPolarHBondContact CB-OE2 3.41Å; R92-E95 PolarHBondContact N-OE2 3.5Å; R92-E95 VanDerWaalsContact N-OE2 3.14Å; R92-E95 PolarHBondContact O-N 3.2Å; R92-E95 VanDerWaalsContact O-N 3.11Å; E95-S98 WeakPolarHBondContact O-CB 3.36Å; E95-S98 PolarHBondContact O-N 3.31Å; E95-M99 WeakPolarHBondContact O-CG 3.44Å; E95-M99 PolarHBondContact O-N 3.1Å
96I96.3Very high94Very high0 Ų062.4 Ų62.40%033%0.326CS..Hα-helixtrans-58.9-49174-57.4-53.7000110.9Y57 Y70 V84 L91 R92 D93 S98 M99 F100Y57-I96 HydrophobicContact CE2-CG2 4.02Å; Y70-I96 HydrophobicContact CD1-CG1 4.48Å; Y70-I96 HydrophobicContact CD1-CG2 3.88Å; Y70-I96 HydrophobicContact CD2-CG2 4.32Å; Y70-I96 HydrophobicContact CE1-CG1 4.29Å; Y70-I96 HydrophobicContact CE1-CG2 4.48Å; Y70-I96 HydrophobicContact CE2-CG1 4.32Å; Y70-I96 HydrophobicContact CG-CG2 3.8Å; V84-I96 HydrophobicContact CG1-CD1 4Å; L91-I96 HydrophobicContact CB-CD1 4.01Å; L91-I96 HydrophobicContact CD1-CD1 4.1Å; L91-I96 HydrophobicContact CD2-CD1 4.31Å; L91-I96 HydrophobicContact CG-CD1 4.39Å; R92-I96 WeakPolarHBondContact O-CG1 3.38Å; R92-I96 PolarHBondContact O-N 3.16Å; R92-I96 VanDerWaalsContact O-N 3.1Å; D93-I96 PolarHBondContact O-N 3.03Å; I96-S98 VanDerWaalsContact C-N 3.25Å; I96-S98 PolarHBondContact O-N 3.39Å; I96-M99 HydrophobicContact CB-CE 4.47Å; I96-M99 HydrophobicContact CD1-CE 3.31Å; I96-M99 HydrophobicContact CG1-CE 4.38Å; I96-M99 WeakPolarHBondContact O-CB 3.35Å; I96-M99 PolarHBondContact O-N 3.07Å; I96-M99 VanDerWaalsContact O-N 3.13Å; I96-F100 HydrophobicContact CG2-CD2 3.73Å; I96-F100 HydrophobicContact CG2-CE2 3.48Å; I96-F100 VanDerWaalsContact CG2-CE2 3.48Å; I96-F100 WeakPolarHBondContact O-CD2 3.44Å; I96-F100 PolarHBondContact O-N 3.35Å
97R95.9Very high94.2Very high54 Ų5462 Ų6220%0.20432%0.32CS..Hα-helixtrans-58.2-39176.9-168.5-170.8-79.685.59.6111.6E55 Y57 D93 N94 F100 R101E55-R97 IonicContact OE1-NE 3.7Å; E55-R97 IonicContact OE1-NH2 3.83Å; Y57-R97 HydrophobicContact CD1-CB 4.46Å; Y57-R97 HydrophobicContact CD1-CG 4.22Å; Y57-R97 VanDerWaalsContact CD1-NH2 3.33Å; Y57-R97 HydrophobicContact CE1-CB 4.45Å; Y57-R97 VanDerWaalsContact CE1-NH2 3.3Å; Y57-R97 HydrophobicContact CG-CG 4.16Å; D93-R97 VanDerWaalsContact O-CB 3.31Å; D93-R97 WeakPolarHBondContact O-CB 3.42Å; D93-R97 PolarHBondContact O-N 3.42Å; D93-R97 IonicContact OD2-CZ 2.73Å; D93-R97 IonicContact OD2-NH1 3.81Å; D93-R97 PolarHBondContact OD2-NH1 3.5Å; D93-R97 IonicContact OD2-NH2 4Å; D93-R97 PolarHBondContact OD2-NH2 3.43Å; N94-R97 PolarHBondContact OD1-NH1 3.14Å; R97-F100 PolarHBondContact O-N 3.46Å; R97-R101 WeakPolarHBondContact O-CG 3.29Å; R97-R101 PolarHBondContact O-N 3.22Å; R97-R101 VanDerWaalsContact O-N 3.14Å
98S96.2Very high94.5Very high41 Ų4160.2 Ų60.229%0.28731%0.306SS..Hα-helixtrans-66.2-42.5176-163.20000112.7N94 E95 I96 R101 K102N94-S98 WeakPolarHBondContact O-CB 3.31Å; N94-S98 PolarHBondContact O-N 3.4Å; E95-S98 WeakPolarHBondContact O-CB 3.36Å; E95-S98 PolarHBondContact O-N 3.31Å; I96-S98 VanDerWaalsContact C-N 3.25Å; I96-S98 PolarHBondContact O-N 3.39Å; S98-R101 PolarHBondContact O-N 2.99Å; S98-K102 PolarHBondContact O-N 2.85Å; S98-K102 VanDerWaalsContact O-N 3.07Å
99M97.3Very high94.9Very high21 Ų2163.5 Ų63.510%0.10332%0.324CS..Hα-helixtrans-61.2-43.7174.8-72.9-171.1-61.800111.9M82 L91 E95 I96 R101 K102 L103 M135M82-M99 HydrophobicContact CE-CB 3.85Å; M82-M99 HydrophobicContact CE-CE 3.99Å; M82-M99 HydrophobicContact CE-CG 4.48Å; M82-M99 HydrophobicContact CE-SD 3.96Å; M82-M99 HydrophobicContact SD-CB 3.96Å; L91-M99 HydrophobicContact CD2-CE 3.88Å; E95-M99 WeakPolarHBondContact O-CG 3.44Å; E95-M99 PolarHBondContact O-N 3.1Å; I96-M99 HydrophobicContact CB-CE 4.47Å; I96-M99 HydrophobicContact CD1-CE 3.31Å; I96-M99 HydrophobicContact CG1-CE 4.38Å; I96-M99 WeakPolarHBondContact O-CB 3.35Å; I96-M99 PolarHBondContact O-N 3.07Å; I96-M99 VanDerWaalsContact O-N 3.13Å; M99-R101 VanDerWaalsContact C-N 3.33Å; M99-R101 PolarHBondContact O-N 2.84Å; M99-K102 PolarHBondContact O-N 2.84Å; M99-L103 PolarHBondContact O-N 3.1Å; M99-M135 HydrophobicContact CB-SD 3.55Å; M99-M135 VanDerWaalsContact CB-SD 3.55Å; M99-M135 HydrophobicContact CG-CG 4.28Å; M99-M135 HydrophobicContact CG-SD 3.8Å; M99-M135 HydrophobicContact SD-CB 4.16Å; M99-M135 HydrophobicContact SD-CG 4.37Å; M99-M135 HydrophobicContact SD-SD 4.42Å
100F98.1Very high95.5Very high0 Ų058 Ų580%029%0.29CS..Hα-helixtrans-60.8-39.5174.9-82-61.9000113.3Y57 Y72 F80 M82 I96 R97 L103 H104Y57-F100 AromaticContact CD2-CD2 3.72Å; Y57-F100 HydrophobicContact CD2-CD2 3.72Å; Y57-F100 HydrophobicContact CD2-CE2 4.08Å; Y57-F100 AromaticContact CE2-CD2 3.68Å; Y57-F100 HydrophobicContact CE2-CD2 3.68Å; Y57-F100 AromaticContact CE2-CE2 3.76Å; Y57-F100 HydrophobicContact CE2-CE2 3.76Å; Y72-F100 HydrophobicContact CD2-CB 3.59Å; Y72-F100 HydrophobicContact CD2-CD1 4.33Å; Y72-F100 AromaticContact CD2-CG 3.93Å; Y72-F100 HydrophobicContact CD2-CG 3.93Å; Y72-F100 HydrophobicContact CE2-CB 4.09Å; Y72-F100 HydrophobicContact CG-CB 4.01Å; Y72-F100 AromaticContact CG-CD1 3.94Å; Y72-F100 HydrophobicContact CG-CD1 3.94Å; Y72-F100 HydrophobicContact CG-CG 4.01Å; F80-F100 HydrophobicContact CB-CD1 3.98Å; F80-F100 HydrophobicContact CB-CE1 3.78Å; F80-F100 HydrophobicContact CD2-CD1 4.37Å; M82-F100 HydrophobicContact CB-CE1 4.13Å; M82-F100 HydrophobicContact CB-CE2 4.34Å; M82-F100 HydrophobicContact CB-CZ 3.69Å; M82-F100 HydrophobicContact CG-CD1 4.15Å; M82-F100 HydrophobicContact CG-CE1 3.46Å; M82-F100 VanDerWaalsContact CG-CE1 3.46Å; M82-F100 HydrophobicContact CG-CE2 4.27Å; M82-F100 HydrophobicContact CG-CZ 3.53Å; M82-F100 HydrophobicContact SD-CD1 3.92Å; M82-F100 HydrophobicContact SD-CD2 4.22Å; M82-F100 HydrophobicContact SD-CE1 3.81Å; M82-F100 HydrophobicContact SD-CE2 4.1Å; M82-F100 HydrophobicContact SD-CG 4.13Å; M82-F100 HydrophobicContact SD-CZ 3.9Å; I96-F100 HydrophobicContact CG2-CD2 3.73Å; I96-F100 HydrophobicContact CG2-CE2 3.48Å; I96-F100 VanDerWaalsContact CG2-CE2 3.48Å; I96-F100 WeakPolarHBondContact O-CD2 3.44Å; I96-F100 PolarHBondContact O-N 3.35Å; R97-F100 PolarHBondContact O-N 3.46Å; F100-L103 PolarHBondContact O-N 3.31Å; F100-H104 WeakPolarHBondContact O-CB 3.46Å; F100-H104 PolarHBondContact O-N 2.97Å
101R97.2Very high95.9Very high115 Ų11557.3 Ų57.343%0.43428%0.275SS..Hα-helixtrans-62.9-41.9174.9-71.5-172.9-59.9-102.3-0.3111.9R97 S98 M99 H104 N105R97-R101 WeakPolarHBondContact O-CG 3.29Å; R97-R101 PolarHBondContact O-N 3.22Å; R97-R101 VanDerWaalsContact O-N 3.14Å; S98-R101 PolarHBondContact O-N 2.99Å; M99-R101 VanDerWaalsContact C-N 3.33Å; M99-R101 PolarHBondContact O-N 2.84Å; R101-H104 PolarHBondContact O-N 2.76Å; R101-N105 VanDerWaalsContact O-CG 3.29Å; R101-N105 PolarHBondContact O-N 3.04Å; R101-N105 PolarHBondContact O-OD1 3.23Å
102K97.8Very high96.1Very high117 Ų11760.5 Ų60.551%0.50930%0.299SS..Hα-helixtrans-62.6-44.5175.2-69.5179.9179-175.90111.6S98 M99 H104 N105 S106 M131 M135S98-K102 PolarHBondContact O-N 2.85Å; S98-K102 VanDerWaalsContact O-N 3.07Å; M99-K102 PolarHBondContact O-N 2.84Å; K102-H104 VanDerWaalsContact C-N 3.34Å; K102-H104 PolarHBondContact O-N 2.98Å; K102-N105 PolarHBondContact O-N 2.89Å; K102-S106 PolarHBondContact O-N 3.34Å; K102-M131 HydrophobicContact CB-CE 4.47Å; K102-M131 HydrophobicContact CB-SD 3.99Å; K102-M135 HydrophobicContact CB-SD 4.42Å
103L98.4Very high96.3Very high0 Ų055.2 Ų55.20%028%0.284CS..Hα-helixtrans-59.7-44.2175.4-17361.2000111.6I5 F80 M99 F100 S106 Y107 F128 V132 M135I5-L103 HydrophobicContact CG2-CD1 4.13Å; I5-L103 HydrophobicContact CG2-CD2 3.69Å; F80-L103 HydrophobicContact CB-CD2 3.97Å; F80-L103 HydrophobicContact CD2-CD2 3.98Å; F80-L103 HydrophobicContact CD2-CG 4.23Å; F80-L103 HydrophobicContact CE2-CG 4.48Å; F80-L103 HydrophobicContact CG-CD2 4Å; M99-L103 PolarHBondContact O-N 3.1Å; F100-L103 PolarHBondContact O-N 3.31Å; L103-S106 PolarHBondContact O-N 3.02Å; L103-Y107 VanDerWaalsContact O-CB 3.31Å; L103-Y107 WeakPolarHBondContact O-CB 3.43Å; L103-Y107 PolarHBondContact O-N 3.32Å; L103-F128 HydrophobicContact CD1-CE2 3.9Å; L103-F128 HydrophobicContact CD1-CZ 3.64Å; L103-V132 HydrophobicContact CD1-CG2 4.02Å; L103-M135 HydrophobicContact CB-CE 4.03Å; L103-M135 HydrophobicContact CD1-CE 4.18Å
104H98.3Very high96.5Very high27 Ų2757.7 Ų57.713%0.12530%0.303CS..Hα-helixtrans-61.4-51.2178-164.6165.4000111.2Y72 F80 F100 R101 K102 S106 Y107 T108Y72-H104 HydrophobicContact CE1-CB 4.32Å; Y72-H104 AromaticContact CE1-ND1 3.36Å; Y72-H104 WeakPolarHBondContact CE1-ND1 3.35Å; Y72-H104 AromaticContact CZ-ND1 3.51Å; Y72-H104 PolarHBondContact OH-ND1 2.87Å; F80-H104 HydrophobicContact CE2-CB 3.76Å; F80-H104 AromaticContact CE2-CG 3.99Å; F100-H104 WeakPolarHBondContact O-CB 3.46Å; F100-H104 PolarHBondContact O-N 2.97Å; R101-H104 PolarHBondContact O-N 2.76Å; K102-H104 VanDerWaalsContact C-N 3.34Å; K102-H104 PolarHBondContact O-N 2.98Å; H104-S106 VanDerWaalsContact C-N 3.28Å; H104-S106 PolarHBondContact O-N 3.26Å; H104-Y107 WeakPolarHBondContact O-CB 3.49Å; H104-Y107 PolarHBondContact O-N 2.94Å; H104-T108 PolarHBondContact CD2-OG1 3.4Å; H104-T108 PolarHBondContact O-N 2.79Å; H104-T108 PolarHBondContact O-OG1 2.84Å; H104-T108 VanDerWaalsContact O-OG1 3.1Å
105N97.8Very high96.5Very high106 Ų10660.9 Ų60.957%0.56731%0.312SS*.Hα-helixtrans-56.4-46.5178.7-67.1-7.7000111R101 K102 Y107 T108 D109R101-N105 VanDerWaalsContact O-CG 3.29Å; R101-N105 PolarHBondContact O-N 3.04Å; R101-N105 PolarHBondContact O-OD1 3.23Å; K102-N105 PolarHBondContact O-N 2.89Å; N105-Y107 VanDerWaalsContact C-N 3.33Å; N105-Y107 PolarHBondContact O-N 3.08Å; N105-T108 WeakPolarHBondContact O-CB 3.31Å; N105-T108 PolarHBondContact O-N 3.5Å; N105-D109 PolarHBondContact O-N 3.07Å
106S97.9Very high96.5Very high12 Ų1258.3 Ų58.38%0.08430%0.3CS..Hα-helixtrans-64.9-35.8177.9-168.60000113K102 L103 H104 D109 V110 F128K102-S106 PolarHBondContact O-N 3.34Å; L103-S106 PolarHBondContact O-N 3.02Å; H104-S106 VanDerWaalsContact C-N 3.28Å; H104-S106 PolarHBondContact O-N 3.26Å; S106-D109 PolarHBondContact O-N 2.59Å; S106-V110 PolarHBondContact O-N 2.87Å; S106-F128 WeakPolarHBondContact OG-CA 3.48Å; S106-F128 WeakPolarHBondContact OG-CD2 3.42Å
107Y97.8Very high96.3Very high17 Ų1763.1 Ų63.17%0.06733%0.325CS..Hα-helixtrans-65.1-43.2174.4169.7-100.3000111V7 L15 V78 F80 L103 H104 N105 D109 V110 M111 I122V7-Y107 HydrophobicContact CG1-CD2 3.94Å; V7-Y107 HydrophobicContact CG1-CE2 3.85Å; L15-Y107 HydrophobicContact CD1-CE2 4.2Å; V78-Y107 HydrophobicContact CG1-CE1 4.38Å; V78-Y107 HydrophobicContact CG1-CE2 4.33Å; V78-Y107 WeakPolarHBondContact CG2-OH 3.36Å; F80-Y107 HydrophobicContact CE1-CD1 4.16Å; F80-Y107 HydrophobicContact CE1-CD2 4.34Å; F80-Y107 HydrophobicContact CE1-CG 4.06Å; F80-Y107 AromaticContact CZ-CD1 3.72Å; F80-Y107 HydrophobicContact CZ-CD1 3.72Å; F80-Y107 HydrophobicContact CZ-CD2 4.49Å; F80-Y107 HydrophobicContact CZ-CE1 4.39Å; F80-Y107 AromaticContact CZ-CG 3.77Å; F80-Y107 HydrophobicContact CZ-CG 3.77Å; L103-Y107 VanDerWaalsContact O-CB 3.31Å; L103-Y107 WeakPolarHBondContact O-CB 3.43Å; L103-Y107 PolarHBondContact O-N 3.32Å; H104-Y107 WeakPolarHBondContact O-CB 3.49Å; H104-Y107 PolarHBondContact O-N 2.94Å; N105-Y107 VanDerWaalsContact C-N 3.33Å; N105-Y107 PolarHBondContact O-N 3.08Å; Y107-D109 VanDerWaalsContact C-N 3.31Å; Y107-D109 PolarHBondContact O-N 3.13Å; Y107-V110 WeakPolarHBondContact O-CB 3.46Å; Y107-V110 PolarHBondContact O-N 2.62Å; Y107-V110 VanDerWaalsContact O-N 3.1Å; Y107-M111 HydrophobicContact CD1-CG 4.1Å; Y107-M111 HydrophobicContact CD2-CE 3.93Å; Y107-M111 HydrophobicContact CD2-CG 4.42Å; Y107-M111 HydrophobicContact CE1-CG 3.56Å; Y107-M111 HydrophobicContact CE1-SD 4.27Å; Y107-M111 HydrophobicContact CE2-CE 3.36Å; Y107-M111 HydrophobicContact CE2-CG 3.91Å; Y107-M111 HydrophobicContact CE2-SD 3.76Å; Y107-M111 HydrophobicContact CG-CG 4.49Å; Y107-M111 VanDerWaalsContact CZ-CG 3.43Å; Y107-M111 VanDerWaalsContact CZ-SD 3.51Å; Y107-M111 WeakPolarHBondContact O-CG 3.42Å; Y107-M111 PolarHBondContact O-N 3.46Å; Y107-M111 PolarHBondContact OH-SD 2.86Å; Y107-I122 HydrophobicContact CD2-CD1 3.78Å; Y107-I122 HydrophobicContact CE2-CD1 4.03Å
108T96.8Very high96Very high55 Ų5566.1 Ų66.134%0.33735%0.352SS..Hα-helixtrans-59-42.3175.7-59.60000111.2H104 N105 V110 M111 C112H104-T108 PolarHBondContact CD2-OG1 3.4Å; H104-T108 PolarHBondContact O-N 2.79Å; H104-T108 PolarHBondContact O-OG1 2.84Å; H104-T108 VanDerWaalsContact O-OG1 3.1Å; N105-T108 WeakPolarHBondContact O-CB 3.31Å; N105-T108 PolarHBondContact O-N 3.5Å; T108-V110 VanDerWaalsContact C-N 3.27Å; T108-V110 PolarHBondContact O-N 3.18Å; T108-M111 PolarHBondContact O-N 3.44Å; T108-M111 VanDerWaalsContact O-N 3.12Å; T108-C112 WeakPolarHBondContact O-CB 3.39Å; T108-C112 PolarHBondContact O-N 3.37Å; T108-C112 PolarHBondContact O-SG 2.99Å; T108-C112 VanDerWaalsContact O-SG 3.34Å
109D96.5Very high95.7Very high116 Ų11665.6 Ų65.662%0.6235%0.353SS*.Hα-helixtrans-59.6-37175.7-64.7-26.5000112.4N105 S106 Y107 N113N105-D109 PolarHBondContact O-N 3.07Å; S106-D109 PolarHBondContact O-N 2.59Å; Y107-D109 VanDerWaalsContact C-N 3.31Å; Y107-D109 PolarHBondContact O-N 3.13Å; D109-N113 PolarHBondContact O-N 3.46Å
110V96.9Very high95.5Very high7 Ų768.5 Ų68.54%0.04237%0.369CS..Hα-helixtrans-67.3-45.9173.7-179.30000110.8S106 Y107 T108 C112 N113 Y116 I122 F128S106-V110 PolarHBondContact O-N 2.87Å; Y107-V110 WeakPolarHBondContact O-CB 3.46Å; Y107-V110 PolarHBondContact O-N 2.62Å; Y107-V110 VanDerWaalsContact O-N 3.1Å; T108-V110 VanDerWaalsContact C-N 3.27Å; T108-V110 PolarHBondContact O-N 3.18Å; V110-C112 VanDerWaalsContact C-N 3.26Å; V110-C112 PolarHBondContact O-N 2.79Å; V110-N113 VanDerWaalsContact O-CB 3.28Å; V110-N113 WeakPolarHBondContact O-CB 3.15Å; V110-N113 PolarHBondContact O-N 3.13Å; V110-N113 VanDerWaalsContact O-N 3.13Å; V110-Y116 HydrophobicContact CG1-CD1 4.1Å; V110-Y116 HydrophobicContact CG1-CD2 3.83Å; V110-Y116 HydrophobicContact CG1-CE1 4.31Å; V110-Y116 HydrophobicContact CG1-CE2 4.05Å; V110-Y116 HydrophobicContact CG1-CG 3.85Å; V110-Y116 WeakPolarHBondContact O-CB 3.39Å; V110-I122 HydrophobicContact CG1-CD1 4.48Å; V110-I122 HydrophobicContact CG1-CG1 4.25Å; V110-I122 HydrophobicContact CG1-CG2 4.05Å; V110-I122 HydrophobicContact CG2-CG2 4.13Å; V110-F128 HydrophobicContact CG2-CB 3.89Å; V110-F128 HydrophobicContact CG2-CD2 3.97Å; V110-F128 HydrophobicContact CG2-CG 4.16Å
111M94.9Very high95.4Very high58 Ų5875.3 Ų75.329%0.28639%0.394SS..Hα-helixtrans-66.2-28.1179.6-62.7-55.1104.200113Y107 T108 N113 Y116 I122Y107-M111 HydrophobicContact CD1-CG 4.1Å; Y107-M111 HydrophobicContact CD2-CE 3.93Å; Y107-M111 HydrophobicContact CD2-CG 4.42Å; Y107-M111 HydrophobicContact CE1-CG 3.56Å; Y107-M111 HydrophobicContact CE1-SD 4.27Å; Y107-M111 HydrophobicContact CE2-CE 3.36Å; Y107-M111 HydrophobicContact CE2-CG 3.91Å; Y107-M111 HydrophobicContact CE2-SD 3.76Å; Y107-M111 HydrophobicContact CG-CG 4.49Å; Y107-M111 VanDerWaalsContact CZ-CG 3.43Å; Y107-M111 VanDerWaalsContact CZ-SD 3.51Å; Y107-M111 WeakPolarHBondContact O-CG 3.42Å; Y107-M111 PolarHBondContact O-N 3.46Å; Y107-M111 PolarHBondContact OH-SD 2.86Å; T108-M111 PolarHBondContact O-N 3.44Å; T108-M111 VanDerWaalsContact O-N 3.12Å; M111-N113 VanDerWaalsContact C-N 3.3Å; M111-Y116 HydrophobicContact CE-CD1 3.81Å; M111-Y116 HydrophobicContact CE-CE1 3.09Å; M111-Y116 HydrophobicContact SD-CD1 4.27Å; M111-Y116 HydrophobicContact SD-CE1 3.6Å; M111-I122 HydrophobicContact CE-CD1 4.23Å
112C94.1Very high95.3Very high96 Ų9670 Ų7065%0.64938%0.375SS*.THydrogen-bonded Turntrans-83.7-3.7176.5-69.50000113.3T108 V110 P114T108-C112 WeakPolarHBondContact O-CB 3.39Å; T108-C112 PolarHBondContact O-N 3.37Å; T108-C112 PolarHBondContact O-SG 2.99Å; T108-C112 VanDerWaalsContact O-SG 3.34Å; V110-C112 VanDerWaalsContact C-N 3.26Å; V110-C112 PolarHBondContact O-N 2.79Å; C112-P114 WeakPolarHBondContact O-CD 3.38Å
113N94.7Very high94.8Very high71 Ų7171.3 Ų71.338%0.3838%0.382SS..  trans-76.2118.9176.1-175-20.8000110.1D109 V110 M111 F115 Y116D109-N113 PolarHBondContact O-N 3.46Å; V110-N113 VanDerWaalsContact O-CB 3.28Å; V110-N113 WeakPolarHBondContact O-CB 3.15Å; V110-N113 PolarHBondContact O-N 3.13Å; V110-N113 VanDerWaalsContact O-N 3.13Å; M111-N113 VanDerWaalsContact C-N 3.3Å; N113-F115 PolarHBondContact O-N 3.34Å; N113-F115 WeakPolarHBondContact OD1-CB 3.27Å; N113-F115 WeakPolarHBondContact OD1-CD2 3.27Å; N113-F115 PolarHBondContact OD1-N 3.36Å; N113-Y116 PolarHBondContact O-N 2.84Å
114P95Very high93.9Very high113 Ų11376.4 Ų76.473%0.73442%0.418SS*.THydrogen-bonded Turntrans-65.3-13.7-17828.1-36.4000114.1C112C112-P114 WeakPolarHBondContact O-CD 3.38Å
115F94Very high93.6Very high182 Ų18276.4 Ų76.480%0.79842%0.421SS*.THydrogen-bonded Turntrans-98.2-2.3177.3-56.1-73.4000113.5N113N113-F115 PolarHBondContact O-N 3.34Å; N113-F115 WeakPolarHBondContact OD1-CB 3.27Å; N113-F115 WeakPolarHBondContact OD1-CD2 3.27Å; N113-F115 PolarHBondContact OD1-N 3.36Å
116Y93.9Very high93.4Very high17 Ų1780.9 Ų80.97%0.06743%0.43CS..SBendtrans-91126172.6173.8-100.9000109.2V110 M111 N113 P118 D120 I122V110-Y116 HydrophobicContact CG1-CD1 4.1Å; V110-Y116 HydrophobicContact CG1-CD2 3.83Å; V110-Y116 HydrophobicContact CG1-CE1 4.31Å; V110-Y116 HydrophobicContact CG1-CE2 4.05Å; V110-Y116 HydrophobicContact CG1-CG 3.85Å; V110-Y116 WeakPolarHBondContact O-CB 3.39Å; M111-Y116 HydrophobicContact CE-CD1 3.81Å; M111-Y116 HydrophobicContact CE-CE1 3.09Å; M111-Y116 HydrophobicContact SD-CD1 4.27Å; M111-Y116 HydrophobicContact SD-CE1 3.6Å; N113-Y116 PolarHBondContact O-N 2.84Å; Y116-P118 WeakPolarHBondContact O-CD 3.26Å; Y116-D120 HydrophobicContact CE2-CB 4.29Å; Y116-D120 PolarHBondContact OH-O 3.19Å; Y116-I122 HydrophobicContact CE2-CG1 4.31Å
117N92.5Very high93.3Very high101 Ų10183.7 Ų83.754%0.5445%0.454SS..PPolyproline II helixtrans-84.9123.2174.8-53.2-51.6000109.4G119 D120N117-G119 PolarHBondContact O-N 3.12Å; N117-D120 WeakPolarHBondContact CB-OD2 3.28Å; N117-D120 PolarHBondContact ND2-OD2 3.14Å; N117-D120 WeakPolarHBondContact O-CB 3.45Å; N117-D120 PolarHBondContact O-N 3.4Å; N117-D120 VanDerWaalsContact O-N 3.13Å
118P89.5Confident93.3Very high116 Ų11682.9 Ų82.975%0.75345%0.451SS*.THydrogen-bonded Turntrans-56.8127.1175.3-25.835.6000111.8Y116Y116-P118 WeakPolarHBondContact O-CD 3.26Å
119G89.7Confident93.2Very high30 Ų3082.3 Ų82.331%0.30945%0.446SS..THydrogen-bonded Turntrans101.5-17.2-178.900000114.4Y13 N117Y13-G119 WeakPolarHBondContact CE2-O 3.41Å; Y13-G119 WeakPolarHBondContact OH-CA 3.44Å; N117-G119 PolarHBondContact O-N 3.12Å
120D94Very high93.2Very high83 Ų8381.5 Ų81.544%0.44444%0.442SS..SBendtrans-70.8153.2172.6-74.8-8.4000111Y116 N117Y116-D120 HydrophobicContact CE2-CB 4.29Å; Y116-D120 PolarHBondContact OH-O 3.19Å; N117-D120 WeakPolarHBondContact CB-OD2 3.28Å; N117-D120 PolarHBondContact ND2-OD2 3.14Å; N117-D120 WeakPolarHBondContact O-CB 3.45Å; N117-D120 PolarHBondContact O-N 3.4Å; N117-D120 VanDerWaalsContact O-N 3.13Å
121R95.6Very high93.2Very high143 Ų14382.8 Ų82.854%0.5445%0.448SS..  trans-62.4141.4172.1-71.5-170.3174.1-167.91.1110.7L15 Q123L15-R121 CarbonylContact O-C 3.47Å; L15-R121 VanDerWaalsContact O-CA 3.29Å; L15-R121 WeakPolarHBondContact O-CA 3.39Å; R121-Q123 VanDerWaalsContact C-N 3.28Å; R121-Q123 HydrophobicContact CB-CG 3.89Å; R121-Q123 PolarHBondContact O-N 3.23Å
122I95.3Very high93.3Very high3 Ų380 Ų802%0.01543%0.434CS..SBendtrans-76.981.1175.6-53.1174.6000108.2L15 Y16 Y107 V110 M111 Y116 F128L15-I122 HydrophobicContact CB-CD1 4.43Å; L15-I122 HydrophobicContact CB-CG1 4.43Å; L15-I122 PolarHBondContact O-N 2.81Å; Y16-I122 HydrophobicContact CD2-CB 4.16Å; Y16-I122 WeakPolarHBondContact CD2-O 3.49Å; Y107-I122 HydrophobicContact CD2-CD1 3.78Å; Y107-I122 HydrophobicContact CE2-CD1 4.03Å; V110-I122 HydrophobicContact CG1-CD1 4.48Å; V110-I122 HydrophobicContact CG1-CG1 4.25Å; V110-I122 HydrophobicContact CG1-CG2 4.05Å; V110-I122 HydrophobicContact CG2-CG2 4.13Å; M111-I122 HydrophobicContact CE-CD1 4.23Å; Y116-I122 HydrophobicContact CE2-CG1 4.31Å; I122-F128 HydrophobicContact CD1-CE1 4.48Å; I122-F128 HydrophobicContact CD1-CZ 4.32Å; I122-F128 HydrophobicContact CG2-CB 4.25Å; I122-F128 HydrophobicContact CG2-CD1 3.75Å; I122-F128 HydrophobicContact CG2-CE1 4.25Å; I122-F128 HydrophobicContact CG2-CG 3.95Å
123Q87.2Confident93.4Very high144 Ų14477.3 Ų77.367%0.67342%0.415SS*.  trans-109.1-29.4-179.5-68.1179.3-29.700112.9R121R121-Q123 VanDerWaalsContact C-N 3.28Å; R121-Q123 HydrophobicContact CB-CG 3.89Å; R121-Q123 PolarHBondContact O-N 3.23Å
124S80.5Confident93.4Very high107 Ų10777.6 Ų77.675%0.74842%0.422SS*.SBendtrans-89.6-8.3-171.352.50000114.2R126S124-R126 PolarHBondContact O-N 2.87Å
125S92.1Very high93.4Very high27 Ų2772.5 Ų72.519%0.18939%0.388CS..  trans-91.689.8-176-175.20000112.1A127 F128 D129S125-A127 PolarHBondContact O-N 3.28Å; S125-F128 WeakPolarHBondContact O-CB 3.48Å; S125-F128 PolarHBondContact O-N 3.07Å; S125-F128 VanDerWaalsContact O-N 3.08Å; S125-F128 WeakPolarHBondContact OG-CB 3.46Å; S125-F128 PolarHBondContact OG-N 2.93Å; S125-D129 PolarHBondContact O-N 3.21Å
126R93.5Very high93.5Very high200 Ų20064 Ų6476%0.75535%0.351SS*.Hα-helixtrans-55.5-35.5172.7-178.8177.5-75.6174.5-3.8112.4S124 D129 N130S124-R126 PolarHBondContact O-N 2.87Å; R126-D129 PolarHBondContact O-N 3.43Å; R126-N130 WeakPolarHBondContact O-CB 3.45Å; R126-N130 PolarHBondContact O-N 2.95Å; R126-N130 PolarHBondContact O-ND2 2.8Å
127A94.9Very high93.4Very high72 Ų7265.8 Ų65.860%0.59536%0.361SS*.Hα-helixtrans-63.4-44.6177.300000111.5S125 N130 M131S125-A127 PolarHBondContact O-N 3.28Å; A127-N130 PolarHBondContact O-N 2.95Å; A127-M131 PolarHBondContact O-N 3.02Å
128F97.4Very high92.9Very high0 Ų066.9 Ų66.90%036%0.363CS..Hα-helixtrans-62.9-46.3176-172.9-91.7000111.4V7 Y16 L103 S106 V110 I122 S125 N130 M131 V132V7-F128 HydrophobicContact CG2-CZ 3.94Å; Y16-F128 AromaticContact CD1-CE1 3.86Å; Y16-F128 HydrophobicContact CD1-CE1 3.86Å; Y16-F128 HydrophobicContact CD2-CD1 4.12Å; Y16-F128 AromaticContact CD2-CE1 3.74Å; Y16-F128 HydrophobicContact CD2-CE1 3.74Å; Y16-F128 HydrophobicContact CE1-CE1 4.02Å; Y16-F128 AromaticContact CE2-CD1 3.99Å; Y16-F128 HydrophobicContact CE2-CD1 3.99Å; Y16-F128 AromaticContact CE2-CE1 3.9Å; Y16-F128 HydrophobicContact CE2-CE1 3.9Å; Y16-F128 AromaticContact CG-CE1 3.69Å; Y16-F128 HydrophobicContact CG-CE1 3.69Å; L103-F128 HydrophobicContact CD1-CE2 3.9Å; L103-F128 HydrophobicContact CD1-CZ 3.64Å; S106-F128 WeakPolarHBondContact OG-CA 3.48Å; S106-F128 WeakPolarHBondContact OG-CD2 3.42Å; V110-F128 HydrophobicContact CG2-CB 3.89Å; V110-F128 HydrophobicContact CG2-CD2 3.97Å; V110-F128 HydrophobicContact CG2-CG 4.16Å; I122-F128 HydrophobicContact CD1-CE1 4.48Å; I122-F128 HydrophobicContact CD1-CZ 4.32Å; I122-F128 HydrophobicContact CG2-CB 4.25Å; I122-F128 HydrophobicContact CG2-CD1 3.75Å; I122-F128 HydrophobicContact CG2-CE1 4.25Å; I122-F128 HydrophobicContact CG2-CG 3.95Å; S125-F128 WeakPolarHBondContact O-CB 3.48Å; S125-F128 PolarHBondContact O-N 3.07Å; S125-F128 VanDerWaalsContact O-N 3.08Å; S125-F128 WeakPolarHBondContact OG-CB 3.46Å; S125-F128 PolarHBondContact OG-N 2.93Å; F128-N130 PolarHBondContact O-N 3.48Å; F128-M131 WeakPolarHBondContact O-CB 3.46Å; F128-M131 PolarHBondContact O-N 3.34Å; F128-V132 HydrophobicContact CD1-CG2 3.97Å; F128-V132 HydrophobicContact CE1-CG2 3.62Å; F128-V132 HydrophobicContact CZ-CG2 4.09Å; F128-V132 WeakPolarHBondContact O-CG2 3.3Å; F128-V132 PolarHBondContact O-N 3.03Å
129D96.2Very high92.1Very high43 Ų4366.3 Ų66.323%0.2336%0.357CS..Hα-helixtrans-61.4-42177.5-80.2-38.4000113.1Y16 R18 S125 R126 M131 V132 T133Y16-D129 WeakPolarHBondContact CE2-OD1 3.48Å; Y16-D129 PolarHBondContact OH-OD1 3.47Å; R18-D129 PolarHBondContact NH1-O 3.04Å; S125-D129 PolarHBondContact O-N 3.21Å; R126-D129 PolarHBondContact O-N 3.43Å; D129-M131 VanDerWaalsContact C-N 3.31Å; D129-M131 PolarHBondContact O-N 2.93Å; D129-V132 PolarHBondContact O-N 3.31Å; D129-T133 WeakPolarHBondContact O-CB 3.4Å; D129-T133 PolarHBondContact O-N 2.95Å; D129-T133 PolarHBondContact O-OG1 3.24Å
130N96.1Very high90.3Very high99 Ų9974 Ų7453%0.52940%0.404SS..Hα-helixtrans-62.9-41.4175.9-74.2-13000111.2R126 A127 F128 T133 S134R126-N130 WeakPolarHBondContact O-CB 3.45Å; R126-N130 PolarHBondContact O-N 2.95Å; R126-N130 PolarHBondContact O-ND2 2.8Å; A127-N130 PolarHBondContact O-N 2.95Å; F128-N130 PolarHBondContact O-N 3.48Å; N130-T133 WeakPolarHBondContact O-CB 3.43Å; N130-T133 PolarHBondContact O-N 3.01Å; N130-S134 PolarHBondContact O-N 3.04Å
131M96.6Very high90.1Very high34 Ų3473.6 Ų73.617%0.16740%0.402CS..Hα-helixtrans-59.4-54.9175-152.3-39.3-60.600109.5K102 A127 F128 D129 T133 S134 M135K102-M131 HydrophobicContact CB-CE 4.47Å; K102-M131 HydrophobicContact CB-SD 3.99Å; A127-M131 PolarHBondContact O-N 3.02Å; F128-M131 WeakPolarHBondContact O-CB 3.46Å; F128-M131 PolarHBondContact O-N 3.34Å; D129-M131 VanDerWaalsContact C-N 3.31Å; D129-M131 PolarHBondContact O-N 2.93Å; M131-T133 VanDerWaalsContact C-N 3.29Å; M131-T133 PolarHBondContact O-N 3.3Å; M131-S134 WeakPolarHBondContact O-CB 3.42Å; M131-S134 PolarHBondContact O-N 3.25Å; M131-S134 PolarHBondContact O-OG 2.74Å; M131-M135 HydrophobicContact CE-CE 3.05Å; M131-M135 HydrophobicContact CE-CG 3.72Å; M131-M135 HydrophobicContact CE-SD 3.3Å; M131-M135 WeakPolarHBondContact CE-SD 3.25Å; M131-M135 PolarHBondContact O-N 3.29Å; M131-M135 HydrophobicContact SD-CE 4.48Å; M131-M135 HydrophobicContact SD-CG 4.14Å; M131-M135 HydrophobicContact SD-SD 4.05Å
132V97.1Very high89.8Confident0 Ų069.9 Ų69.90%040%0.395CS..Hα-helixtrans-54.7-46178.1171.80000110.9I5 Y16 R18 L103 F128 D129 S134 M135 M136I5-V132 HydrophobicContact CB-CG1 4.25Å; I5-V132 HydrophobicContact CD1-CG1 3.98Å; Y16-V132 HydrophobicContact CE1-CB 4.34Å; Y16-V132 HydrophobicContact CE1-CG1 3.86Å; Y16-V132 HydrophobicContact CE1-CG2 3.88Å; R18-V132 HydrophobicContact CB-CG1 4.37Å; L103-V132 HydrophobicContact CD1-CG2 4.02Å; F128-V132 HydrophobicContact CD1-CG2 3.97Å; F128-V132 HydrophobicContact CE1-CG2 3.62Å; F128-V132 HydrophobicContact CZ-CG2 4.09Å; F128-V132 WeakPolarHBondContact O-CG2 3.3Å; F128-V132 PolarHBondContact O-N 3.03Å; D129-V132 PolarHBondContact O-N 3.31Å; V132-S134 VanDerWaalsContact C-N 3.25Å; V132-S134 PolarHBondContact O-N 2.92Å; V132-M135 PolarHBondContact O-N 3.17Å; V132-M136 HydrophobicContact CG1-CG 4.12Å; V132-M136 HydrophobicContact CG1-SD 3.85Å; V132-M136 WeakPolarHBondContact O-CG 3.46Å; V132-M136 PolarHBondContact O-N 3.42Å; V132-M136 VanDerWaalsContact O-N 3.15Å
133T95.4Very high89.5Confident39 Ų3973.6 Ų73.624%0.23942%0.416CS..Hα-helixtrans-54.2-41.7177.6-52.10000111.8R18 D129 N130 M131 M135 M136 Q138R18-T133 PolarHBondContact NH1-OG1 3.2Å; R18-T133 PolarHBondContact NH2-OG1 3.25Å; R18-T133 VanDerWaalsContact NH2-OG1 3.08Å; D129-T133 WeakPolarHBondContact O-CB 3.4Å; D129-T133 PolarHBondContact O-N 2.95Å; D129-T133 PolarHBondContact O-OG1 3.24Å; N130-T133 WeakPolarHBondContact O-CB 3.43Å; N130-T133 PolarHBondContact O-N 3.01Å; M131-T133 VanDerWaalsContact C-N 3.29Å; M131-T133 PolarHBondContact O-N 3.3Å; T133-M135 PolarHBondContact O-N 2.92Å; T133-M136 PolarHBondContact O-N 3.06Å; T133-Q138 PolarHBondContact O-NE2 2.99Å
134S95.5Very high89.7Confident76 Ų7669.5 Ų69.553%0.53140%0.401SS..Hα-helixtrans-65.8-18.6179.978.90000114.2N130 M131 V132N130-S134 PolarHBondContact O-N 3.04Å; M131-S134 WeakPolarHBondContact O-CB 3.42Å; M131-S134 PolarHBondContact O-N 3.25Å; M131-S134 PolarHBondContact O-OG 2.74Å; V132-S134 VanDerWaalsContact C-N 3.25Å; V132-S134 PolarHBondContact O-N 2.92Å
135M95.6Very high90.3Very high7 Ų767.1 Ų67.13%0.03438%0.379CS..Hα-helixtrans-99.9-15.3178-58.7-167.5-50.300113M1 A2 I5 M82 M99 K102 L103 M131 V132 T133M1-M135 CarbonylContact C-O 3.51Å; M1-M135 WeakPolarHBondContact CA-O 3.44Å; M1-M135 WeakPolarHBondContact CB-O 3.5Å; A2-M135 PolarHBondContact N-O 3.38Å; I5-M135 HydrophobicContact CD1-CB 3.82Å; I5-M135 HydrophobicContact CD1-CE 3.63Å; M82-M135 HydrophobicContact CE-CB 4.42Å; M82-M135 HydrophobicContact CE-CE 3.93Å; M82-M135 HydrophobicContact CE-SD 4.35Å; M99-M135 HydrophobicContact CB-SD 3.55Å; M99-M135 VanDerWaalsContact CB-SD 3.55Å; M99-M135 HydrophobicContact CG-CG 4.28Å; M99-M135 HydrophobicContact CG-SD 3.8Å; M99-M135 HydrophobicContact SD-CB 4.16Å; M99-M135 HydrophobicContact SD-CG 4.37Å; M99-M135 HydrophobicContact SD-SD 4.42Å; K102-M135 HydrophobicContact CB-SD 4.42Å; L103-M135 HydrophobicContact CB-CE 4.03Å; L103-M135 HydrophobicContact CD1-CE 4.18Å; M131-M135 HydrophobicContact CE-CE 3.05Å; M131-M135 HydrophobicContact CE-CG 3.72Å; M131-M135 HydrophobicContact CE-SD 3.3Å; M131-M135 WeakPolarHBondContact CE-SD 3.25Å; M131-M135 PolarHBondContact O-N 3.29Å; M131-M135 HydrophobicContact SD-CE 4.48Å; M131-M135 HydrophobicContact SD-CG 4.14Å; M131-M135 HydrophobicContact SD-SD 4.05Å; V132-M135 PolarHBondContact O-N 3.17Å; T133-M135 PolarHBondContact O-N 2.92Å
136M95Very high90.1Very high2 Ų269.8 Ų69.81%0.0139%0.392CS..BIsolated β-bridgetrans-83.8151.5179.8-69-168.778.900112.1A2 V3 I5 R18 T20 V132 T133 Q138A2-M136 CarbonylContact O-C 3.5Å; A2-M136 VanDerWaalsContact O-CA 3.24Å; A2-M136 WeakPolarHBondContact O-CA 3.37Å; V3-M136 WeakPolarHBondContact O-CE 3.32Å; I5-M136 HydrophobicContact CD1-CG 3.89Å; I5-M136 HydrophobicContact CG1-CG 4.46Å; R18-M136 HydrophobicContact CB-SD 4.11Å; R18-M136 VanDerWaalsContact CD-SD 3.51Å; R18-M136 HydrophobicContact CG-CE 4.07Å; R18-M136 HydrophobicContact CG-SD 3.54Å; R18-M136 VanDerWaalsContact CG-SD 3.54Å; T20-M136 WeakPolarHBondContact OG1-CE 3.26Å; V132-M136 HydrophobicContact CG1-CG 4.12Å; V132-M136 HydrophobicContact CG1-SD 3.85Å; V132-M136 WeakPolarHBondContact O-CG 3.46Å; V132-M136 PolarHBondContact O-N 3.42Å; V132-M136 VanDerWaalsContact O-N 3.15Å; T133-M136 PolarHBondContact O-N 3.06Å; M136-Q138 PolarHBondContact O-N 3.08Å
137I92.9Very high89.9Confident56 Ų5660.5 Ų60.529%0.28737%0.366SS..PPolyproline II helixtrans-57.1137.3168.355.4157.5000109.1M1 A2 V3 T20M1-I137 HydrophobicContact CB-CB 4.45Å; M1-I137 HydrophobicContact CB-CG2 3.73Å; A2-I137 PolarHBondContact O-N 3.13Å; V3-I137 HydrophobicContact CG1-CD1 3.8Å; V3-I137 HydrophobicContact CG1-CG1 4.15Å; T20-I137 HydrophobicContact CG2-CD1 4.05Å; T20-I137 HydrophobicContact CG2-CG1 4Å
138Q82Confident89.5Confident123 Ų12359.6 Ų59.658%0.57535%0.349SS*.PPolyproline II helixtrans-83.2124.7172.9-59.6-62.7-53.900107.7T133 M136T133-Q138 PolarHBondContact O-NE2 2.99Å; M136-Q138 PolarHBondContact O-N 3.08Å
139V70.9Confident88.8Confident104 Ų10464.6 Ų64.663%0.6338%0.378SS*.PPolyproline II helixtrans-81.1121.8166-166.20000106.2T20T20-V139 HydrophobicContact CG2-CG2 3.02Å
140C53Low88.2Confident192 Ų19266.5 Ų66.5100%1.29739%0.391SS*.  trans-68.10172.6-63.30000111.3

Retrieved 140 of 140 residues in 78.8 ms (Link to these results)

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