A0A096NGW8_PAPAN Loading...

AP-4 complex subunit mu-1

Component of the adaptor protein complex 4 (AP-4). Adaptor protein complexes are vesicle coat components involved both in vesicle formation and cargo selection. They control the vesicular transport of proteins in different trafficking pathways. AP-4 forms a non clathrin-associated coat on vesicles departing the trans-Golgi network (TGN) and may be involved in the targeting of proteins from the trans-Golgi network (TGN) to the endosomal-lysosomal system. It is also involved in protein sorting to the basolateral membrane in epithelial cells and the proper asymmetric localization of somatodendritic proteins in neurons. Within AP-4, the mu-type subunit AP4M1 is directly involved in the recognition and binding of tyrosine-based sorting signals found in the cytoplasmic part of cargos. The adaptor protein complex 4 (AP-4) may also recognize other types of sorting signal.

AlphaFold DB , UniProt , Accession A0A096NGW8, Species PAPAN (Papio anubis, Olive baboon), Gene AP4M1, Length 460 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
1M82.5Confident91.4Very high56 Ų5624.4 Ų24.428%0.27612%0.122SC..  01650-68.1161.4-166.100108.3S3 T77 E79 Y128M1-S3 PolarHBondContact O-N 2.9Å; M1-T77 WeakPolarHBondContact O-CB 3.29Å; M1-T77 PolarHBondContact O-OG1 3.06Å; M1-E79 WeakPolarHBondContact CG-OE2 3.45Å; M1-E79 VanDerWaalsContact N-CD 3.34Å; M1-E79 PolarHBondContact N-OE2 2.82Å; M1-Y128 HydrophobicContact CE-CE1 3.53Å; M1-Y128 VanDerWaalsContact CE-CZ 3.46Å; M1-Y128 WeakPolarHBondContact CE-OH 3.43Å; M1-Y128 HydrophobicContact CG-CE1 4.04Å; M1-Y128 HydrophobicContact SD-CE1 3.66Å; M1-Y128 HydrophobicContact SD-CE2 3.9Å; M1-Y128 PolarHBondContact SD-OH 2.93Å
2I91Very high91Very high5 Ų523.3 Ų23.33%0.02612%0.122CC..  trans-77.7123-178-61.4164.2000109.1F20 V75 L86 L89 L124 G127 V129I2-F20 HydrophobicContact CG2-CD2 4.26Å; I2-F20 HydrophobicContact CG2-CE2 4.43Å; I2-V75 HydrophobicContact CG2-CB 4.17Å; I2-V75 HydrophobicContact CG2-CG1 4.05Å; I2-L86 HydrophobicContact CD1-CD2 3.76Å; I2-L86 HydrophobicContact CG1-CD2 3.59Å; I2-L89 HydrophobicContact CD1-CD2 3.25Å; I2-L124 HydrophobicContact CD1-CD1 4.47Å; I2-L124 HydrophobicContact CD1-CD2 3.75Å; I2-G127 PolarHBondContact N-O 3.11Å; I2-G127 WeakPolarHBondContact O-CA 3.36Å; I2-V129 HydrophobicContact CD1-CG2 4.45Å
3S91.1Very high91Very high4 Ų427.8 Ų27.83%0.02815%0.147CC..  trans-87.6-57.9176.9-71.20000111.1M1 F20 D23 T76M1-S3 PolarHBondContact O-N 2.9Å; S3-F20 PolarHBondContact O-N 3.24Å; S3-D23 WeakPolarHBondContact CB-OD2 3.42Å; S3-D23 PolarHBondContact OG-OD2 3.26Å; S3-T76 PolarHBondContact N-O 2.65Å
4Q92.4Very high91.1Very high0 Ų029.6 Ų29.60%016%0.161CC..EExtended strand (participates in β ladder)trans-128.8151.6-179.5-60.6115.3700111.3K18 D19 D23 V75 T76Q4-K18 CarbonylContact C-O 3.6Å; Q4-K18 VanDerWaalsContact CA-O 3.28Å; Q4-K18 WeakPolarHBondContact CA-O 3.39Å; Q4-D19 HydrophobicContact CG-CB 4.19Å; Q4-D23 PolarHBondContact NE2-O 3.4Å; Q4-V75 CarbonylContact O-C 3.51Å; Q4-V75 VanDerWaalsContact O-CA 3.28Å; Q4-V75 WeakPolarHBondContact O-CA 3.48Å; Q4-T76 VanDerWaalsContact CB-OG1 3.31Å; Q4-T76 WeakPolarHBondContact CB-OG1 3.39Å; Q4-T76 PolarHBondContact N-OG1 3.25Å; Q4-T76 PolarHBondContact O-N 3.18Å; Q4-T76 PolarHBondContact OE1-OG1 3.22Å
5F94.6Very high91.3Very high0 Ų029.6 Ų29.60%016%0.16CC..EExtended strand (participates in β ladder)trans-125.1135.4166.1173.4-90.6000109.3I7 I16 K18 F20 L73 V74 V75 L90 L93 L120F5-I7 HydrophobicContact CE1-CD1 3.9Å; F5-I7 HydrophobicContact CE1-CG1 3.57Å; F5-I7 HydrophobicContact CZ-CD1 3.96Å; F5-I7 HydrophobicContact CZ-CG1 3.69Å; F5-I16 HydrophobicContact CD1-CG2 4.45Å; F5-I16 HydrophobicContact CE1-CG2 4.35Å; F5-K18 PolarHBondContact N-O 2.99Å; F5-K18 PolarHBondContact O-N 3Å; F5-F20 HydrophobicContact CB-CE2 3.73Å; F5-F20 HydrophobicContact CB-CZ 4.41Å; F5-L73 HydrophobicContact CZ-CD2 4.48Å; F5-V74 WeakPolarHBondContact CA-O 3.36Å; F5-V75 HydrophobicContact CB-CG1 4.39Å; F5-V75 HydrophobicContact CD2-CG1 3.75Å; F5-L90 HydrophobicContact CD2-CD2 4.19Å; F5-L90 HydrophobicContact CE2-CD2 3.81Å; F5-L93 HydrophobicContact CD2-CD1 4.19Å; F5-L93 HydrophobicContact CE2-CD1 3.8Å; F5-L93 HydrophobicContact CZ-CD1 4.44Å; F5-L120 HydrophobicContact CD1-CD1 3.56Å; F5-L120 HydrophobicContact CD1-CD2 3.68Å; F5-L120 HydrophobicContact CD1-CG 4.29Å; F5-L120 HydrophobicContact CE1-CD1 3.73Å; F5-L120 HydrophobicContact CE1-CD2 3.69Å; F5-L120 HydrophobicContact CE1-CG 4.32Å; F5-L120 HydrophobicContact CG-CD2 4.17Å; F5-L120 HydrophobicContact CZ-CD2 4.2Å
6F94.7Very high91.6Very high0 Ų027.8 Ų27.80%015%0.151CC..EExtended strand (participates in β ladder)trans-147.815317452.4-92.7000112.5L8 I16 Y17 V29 A30 F33 F63 V74 T76F6-L8 HydrophobicContact CD2-CD1 4.23Å; F6-L8 HydrophobicContact CD2-CD2 3.7Å; F6-L8 HydrophobicContact CD2-CG 3.84Å; F6-L8 HydrophobicContact CE2-CD1 4.04Å; F6-L8 HydrophobicContact CE2-CD2 4.29Å; F6-L8 HydrophobicContact CE2-CG 4.16Å; F6-I16 CarbonylContact C-O 3.54Å; F6-I16 WeakPolarHBondContact CA-O 2.96Å; F6-I16 WeakPolarHBondContact CB-O 3.42Å; F6-Y17 HydrophobicContact CB-CD2 4.07Å; F6-Y17 HydrophobicContact CD1-CD2 4.4Å; F6-V29 HydrophobicContact CE1-CG1 4.07Å; F6-A30 HydrophobicContact CD2-CB 4.09Å; F6-A30 HydrophobicContact CE2-CB 4.18Å; F6-A30 HydrophobicContact CG-CB 4.38Å; F6-F33 HydrophobicContact CE2-CB 4.14Å; F6-F33 HydrophobicContact CE2-CD1 4.04Å; F6-F33 HydrophobicContact CE2-CG 4.09Å; F6-F33 HydrophobicContact CZ-CB 3.94Å; F6-F33 HydrophobicContact CZ-CG 4.16Å; F6-F63 HydrophobicContact CZ-CD1 4.13Å; F6-F63 HydrophobicContact CZ-CE1 4.15Å; F6-V74 HydrophobicContact CD2-CB 3.74Å; F6-V74 HydrophobicContact CD2-CG1 4.46Å; F6-V74 HydrophobicContact CD2-CG2 3.94Å; F6-V74 HydrophobicContact CE1-CB 4.19Å; F6-V74 HydrophobicContact CE1-CG1 4.04Å; F6-V74 HydrophobicContact CE2-CB 3.37Å; F6-V74 HydrophobicContact CE2-CG1 3.65Å; F6-V74 HydrophobicContact CE2-CG2 3.52Å; F6-V74 HydrophobicContact CG-CB 4.31Å; F6-V74 HydrophobicContact CZ-CB 3.62Å; F6-V74 HydrophobicContact CZ-CG1 3.4Å; F6-V74 HydrophobicContact CZ-CG2 4.19Å; F6-V74 PolarHBondContact N-O 3.49Å; F6-V74 PolarHBondContact O-N 3.12Å; F6-T76 HydrophobicContact CE1-CG2 3.83Å; F6-T76 HydrophobicContact CZ-CG2 4.47Å
7I95.6Very high91.7Very high1 Ų128.5 Ų28.51%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-117.2124175.9-53-177.5000108.1F5 L15 I16 L71 Y72 L73 L97 I109F5-I7 HydrophobicContact CE1-CD1 3.9Å; F5-I7 HydrophobicContact CE1-CG1 3.57Å; F5-I7 HydrophobicContact CZ-CD1 3.96Å; F5-I7 HydrophobicContact CZ-CG1 3.69Å; I7-L15 HydrophobicContact CG2-CD1 4.46Å; I7-L15 PolarHBondContact O-N 2.82Å; I7-I16 HydrophobicContact CB-CB 4.07Å; I7-I16 HydrophobicContact CB-CG1 4.37Å; I7-I16 HydrophobicContact CD1-CB 4.27Å; I7-I16 HydrophobicContact CD1-CG1 4.08Å; I7-I16 HydrophobicContact CG1-CB 4.04Å; I7-I16 HydrophobicContact CG1-CG1 4.35Å; I7-I16 PolarHBondContact N-O 2.85Å; I7-I16 PolarHBondContact O-N 2.86Å; I7-L71 HydrophobicContact CG2-CB 4.27Å; I7-L71 HydrophobicContact CG2-CD1 4.33Å; I7-L71 HydrophobicContact CG2-CD2 4.44Å; I7-Y72 CarbonylContact C-O 3.59Å; I7-Y72 VanDerWaalsContact CA-O 3.3Å; I7-Y72 WeakPolarHBondContact CA-O 3.17Å; I7-L73 HydrophobicContact CG1-CG 4.27Å; I7-L73 HydrophobicContact CG2-CD1 4.49Å; I7-L97 HydrophobicContact CD1-CD1 3.86Å; I7-I109 HydrophobicContact CD1-CD1 4.45Å
8L93.9Very high91.8Very high0 Ų028.2 Ų28.20%015%0.148CC..EExtended strand (participates in β ladder)trans-109.1148.7176.9-47.7-177000111.7F6 D13 P14 A30 F33 Y34 L71 Y72F6-L8 HydrophobicContact CD2-CD1 4.23Å; F6-L8 HydrophobicContact CD2-CD2 3.7Å; F6-L8 HydrophobicContact CD2-CG 3.84Å; F6-L8 HydrophobicContact CE2-CD1 4.04Å; F6-L8 HydrophobicContact CE2-CD2 4.29Å; F6-L8 HydrophobicContact CE2-CG 4.16Å; L8-D13 CarbonylContact C-O 3.55Å; L8-D13 VanDerWaalsContact CA-O 3.32Å; L8-D13 WeakPolarHBondContact CA-O 3.34Å; L8-P14 HydrophobicContact CD2-CB 3.92Å; L8-A30 HydrophobicContact CD2-CB 3.92Å; L8-F33 HydrophobicContact CD1-CD1 3.6Å; L8-F33 HydrophobicContact CD1-CE1 3.98Å; L8-Y34 HydrophobicContact CD1-CD2 4.36Å; L8-L71 WeakPolarHBondContact O-CA 3.48Å; L8-Y72 HydrophobicContact CB-CD2 4.49Å; L8-Y72 PolarHBondContact N-O 2.71Å; L8-Y72 PolarHBondContact O-N 3.15Å
9S92.8Very high91.8Very high0 Ų029.3 Ų29.30%015%0.154CC..  trans-66.6170.7165.380.60000111.1K11 G12 D13S9-K11 PolarHBondContact O-N 2.58Å; S9-K11 PolarHBondContact OG-N 3.27Å; S9-G12 PolarHBondContact O-N 3.24Å; S9-G12 PolarHBondContact OG-N 3.27Å; S9-D13 PolarHBondContact N-O 3.09Å; S9-D13 WeakPolarHBondContact OG-CB 3.38Å; S9-D13 PolarHBondContact OG-N 3.39Å; S9-D13 PolarHBondContact OG-OD2 2.9Å
10S87.8Confident91.7Very high50 Ų5028.8 Ų28.835%0.3515%0.151SC..THydrogen-bonded Turntrans-61.4-24173.654.40000112.7Y34 S70S10-Y34 PolarHBondContact O-OH 3.37Å; S10-Y34 VanDerWaalsContact O-OH 3.04Å; S10-S70 WeakPolarHBondContact CA-O 3.4Å; S10-S70 WeakPolarHBondContact CB-O 3.12Å; S10-S70 PolarHBondContact N-O 3.03Å
11K88.9Confident91.5Very high152 Ų15230.6 Ų30.666%0.66116%0.155SC*.THydrogen-bonded Turntrans-90.1-1.9177.5-59.7179.3-177.7174.60113.6S9 Y34S9-K11 PolarHBondContact O-N 2.58Å; S9-K11 PolarHBondContact OG-N 3.27Å; K11-Y34 WeakPolarHBondContact CA-OH 3.29Å; K11-Y34 VanDerWaalsContact O-CE1 3.29Å; K11-Y34 WeakPolarHBondContact O-CE1 3.42Å; K11-Y34 PolarHBondContact O-OH 3.09Å
12G87.1Confident91.4Very high12 Ų1230.9 Ų30.912%0.12417%0.173CC..  trans90.34.8178.600000115.1S9 Y34S9-G12 PolarHBondContact O-N 3.24Å; S9-G12 PolarHBondContact OG-N 3.27Å; G12-Y34 VanDerWaalsContact N-CE2 3.29Å
13D90.8Very high90.4Very high82 Ų8233.3 Ų33.344%0.43919%0.186SC..  trans-70.3128.2178.9-55.4-57.3000110.2L8 S9 L15L8-D13 CarbonylContact C-O 3.55Å; L8-D13 VanDerWaalsContact CA-O 3.32Å; L8-D13 WeakPolarHBondContact CA-O 3.34Å; S9-D13 PolarHBondContact N-O 3.09Å; S9-D13 WeakPolarHBondContact OG-CB 3.38Å; S9-D13 PolarHBondContact OG-N 3.39Å; S9-D13 PolarHBondContact OG-OD2 2.9Å; D13-L15 PolarHBondContact O-N 3.5Å
14P92.2Very high88.7Confident53 Ų5337.6 Ų37.634%0.34422%0.215SC..EExtended strand (participates in β ladder)trans-74.7111.4179.429.2-32.9000110.8L8 A30L8-P14 HydrophobicContact CD2-CB 3.92Å; P14-A30 HydrophobicContact CB-CB 4.49Å
15L94.1Very high87.1Confident29 Ų2938.3 Ų38.315%0.15222%0.223CC..EExtended strand (participates in β ladder)trans-84-40.8176-55.2-179.5000111.3I7 D13 L71 E106 I109I7-L15 HydrophobicContact CG2-CD1 4.46Å; I7-L15 PolarHBondContact O-N 2.82Å; D13-L15 PolarHBondContact O-N 3.5Å; L15-L71 HydrophobicContact CD1-CD2 3.67Å; L15-E106 HydrophobicContact CD1-CB 4.27Å; L15-E106 HydrophobicContact CD1-CG 3.91Å; L15-E106 HydrophobicContact CD2-CG 4.04Å; L15-I109 HydrophobicContact CB-CG2 3.99Å; L15-I109 HydrophobicContact CD1-CB 4.37Å; L15-I109 HydrophobicContact CD1-CG2 4.27Å
16I95.6Very high85.7Confident1 Ų139.8 Ų39.81%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-133.4137.9178.5-60.6-68.2000108F5 F6 I7 I109 V113 V116 Y117 L120F5-I16 HydrophobicContact CD1-CG2 4.45Å; F5-I16 HydrophobicContact CE1-CG2 4.35Å; F6-I16 CarbonylContact C-O 3.54Å; F6-I16 WeakPolarHBondContact CA-O 2.96Å; F6-I16 WeakPolarHBondContact CB-O 3.42Å; I7-I16 HydrophobicContact CB-CB 4.07Å; I7-I16 HydrophobicContact CB-CG1 4.37Å; I7-I16 HydrophobicContact CD1-CB 4.27Å; I7-I16 HydrophobicContact CD1-CG1 4.08Å; I7-I16 HydrophobicContact CG1-CB 4.04Å; I7-I16 HydrophobicContact CG1-CG1 4.35Å; I7-I16 PolarHBondContact N-O 2.85Å; I7-I16 PolarHBondContact O-N 2.86Å; I16-I109 HydrophobicContact CD1-CG2 4.2Å; I16-I109 HydrophobicContact CG1-CG2 3.69Å; I16-V113 HydrophobicContact CD1-CB 4.28Å; I16-V113 HydrophobicContact CD1-CG1 3.9Å; I16-V113 HydrophobicContact CD1-CG2 4.14Å; I16-V116 HydrophobicContact CD1-CB 4Å; I16-V116 HydrophobicContact CD1-CG1 3.82Å; I16-V116 HydrophobicContact CG1-CG1 3.86Å; I16-V116 HydrophobicContact CG2-CG1 4.22Å; I16-Y117 HydrophobicContact CD1-CE2 4.16Å; I16-Y117 HydrophobicContact CG2-CE1 4.12Å; I16-L120 HydrophobicContact CG2-CD1 3.84Å
17Y94.5Very high84.3Confident40 Ų4048.8 Ų48.816%0.15727%0.272CS..EExtended strand (participates in β ladder)trans-143.6121172.7178-85000109.4F6 D19 G26 Y117F6-Y17 HydrophobicContact CB-CD2 4.07Å; F6-Y17 HydrophobicContact CD1-CD2 4.4Å; Y17-D19 HydrophobicContact CE1-CB 4.11Å; Y17-G26 VanDerWaalsContact CE2-O 3.22Å; Y17-G26 WeakPolarHBondContact CE2-O 3.25Å; Y17-G26 VanDerWaalsContact CZ-C 3.46Å; Y17-G26 VanDerWaalsContact CZ-O 3.27Å; Y17-G26 VanDerWaalsContact OH-CA 3.29Å; Y17-G26 WeakPolarHBondContact OH-CA 3.33Å; Y17-G26 PolarHBondContact OH-N 2.88Å; Y17-G26 PolarHBondContact OH-O 2.86Å; Y17-G26 VanDerWaalsContact OH-O 3.06Å; Y17-Y117 PolarHBondContact N-OH 3.01Å; Y17-Y117 WeakPolarHBondContact O-CE1 3.17Å; Y17-Y117 PolarHBondContact O-OH 2.81Å; Y17-Y117 VanDerWaalsContact O-OH 3.05Å
18K92.6Very high83.5Confident22 Ų2252.3 Ų52.310%0.09629%0.291CS..EExtended strand (participates in β ladder)trans-131.1129.6177.6-168.8163.9-175168.80110.7Q4 F5 F20 Y117 L120 D121Q4-K18 CarbonylContact C-O 3.6Å; Q4-K18 VanDerWaalsContact CA-O 3.28Å; Q4-K18 WeakPolarHBondContact CA-O 3.39Å; F5-K18 PolarHBondContact N-O 2.99Å; F5-K18 PolarHBondContact O-N 3Å; K18-F20 HydrophobicContact CB-CE2 4.45Å; K18-F20 HydrophobicContact CB-CZ 4.38Å; K18-F20 HydrophobicContact CD-CD1 4.41Å; K18-F20 HydrophobicContact CD-CE1 3.62Å; K18-F20 HydrophobicContact CD-CE2 4.44Å; K18-F20 HydrophobicContact CD-CZ 3.63Å; K18-F20 VanDerWaalsContact CE-CE1 3.47Å; K18-F20 HydrophobicContact CG-CD1 4.42Å; K18-F20 HydrophobicContact CG-CE1 4.01Å; K18-F20 HydrophobicContact CG-CE2 4.25Å; K18-F20 HydrophobicContact CG-CZ 3.9Å; K18-Y117 HydrophobicContact CB-CE1 4.23Å; K18-Y117 HydrophobicContact CD-CD1 4.25Å; K18-Y117 PolarHBondContact NZ-O 3.46Å; K18-L120 HydrophobicContact CB-CD1 4.39Å; K18-L120 HydrophobicContact CD-CB 3.74Å; K18-L120 HydrophobicContact CD-CD1 4.12Å; K18-D121 WeakPolarHBondContact CE-OD1 3.22Å; K18-D121 VanDerWaalsContact NZ-CA 3.27Å; K18-D121 IonicContact NZ-OD1 2.68Å; K18-D121 PolarHBondContact NZ-OD1 3.4Å; K18-D121 IonicContact NZ-OD2 2.61Å; K18-D121 PolarHBondContact NZ-OD2 2.83Å
19D92.1Very high83.1Confident49 Ų4952.3 Ų52.326%0.26229%0.291SS..EExtended strand (participates in β ladder)trans-109.9116.8174.2-171.1-17.9000108.3Q4 Y17 R21 G22 D23Q4-D19 HydrophobicContact CG-CB 4.19Å; Y17-D19 HydrophobicContact CE1-CB 4.11Å; D19-R21 PolarHBondContact OD1-N 2.97Å; D19-G22 PolarHBondContact OD1-N 3.4Å; D19-D23 PolarHBondContact OD1-N 2.85Å; D19-D23 PolarHBondContact OD2-N 3.23Å; D19-D23 VanDerWaalsContact OD2-O 3.07Å
20F90.8Very high82.8Confident20 Ų2052.4 Ų52.49%0.08829%0.292CS..SBendtrans-89.2-16.3-177.8-63.4-80000112.8I2 S3 F5 K18 L124 Y126I2-F20 HydrophobicContact CG2-CD2 4.26Å; I2-F20 HydrophobicContact CG2-CE2 4.43Å; S3-F20 PolarHBondContact O-N 3.24Å; F5-F20 HydrophobicContact CB-CE2 3.73Å; F5-F20 HydrophobicContact CB-CZ 4.41Å; K18-F20 HydrophobicContact CB-CE2 4.45Å; K18-F20 HydrophobicContact CB-CZ 4.38Å; K18-F20 HydrophobicContact CD-CD1 4.41Å; K18-F20 HydrophobicContact CD-CE1 3.62Å; K18-F20 HydrophobicContact CD-CE2 4.44Å; K18-F20 HydrophobicContact CD-CZ 3.63Å; K18-F20 VanDerWaalsContact CE-CE1 3.47Å; K18-F20 HydrophobicContact CG-CD1 4.42Å; K18-F20 HydrophobicContact CG-CE1 4.01Å; K18-F20 HydrophobicContact CG-CE2 4.25Å; K18-F20 HydrophobicContact CG-CZ 3.9Å; F20-L124 HydrophobicContact CD1-CB 4.08Å; F20-L124 HydrophobicContact CE1-CB 3.39Å; F20-L124 HydrophobicContact CE1-CD1 4.21Å; F20-L124 HydrophobicContact CE1-CG 4.43Å; F20-L124 WeakPolarHBondContact CE1-O 3.2Å; F20-L124 HydrophobicContact CE2-CB 4.29Å; F20-L124 HydrophobicContact CE2-CD1 3.63Å; F20-L124 HydrophobicContact CZ-CB 3.52Å; F20-L124 HydrophobicContact CZ-CD1 3.41Å; F20-L124 VanDerWaalsContact CZ-CD1 3.41Å; F20-L124 HydrophobicContact CZ-CG 4.09Å; F20-Y126 WeakPolarHBondContact O-CD2 3.35Å
21R87.3Confident82.8Confident67 Ų6756 Ų5625%0.25330%0.303SS..SBendtrans-114.6-15.9-170.9-59.4-65.5-74.1-139.5-9.3113D19 D23 Y126D19-R21 PolarHBondContact OD1-N 2.97Å; R21-D23 VanDerWaalsContact C-N 3.26Å; R21-Y126 WeakPolarHBondContact CD-O 3.31Å; R21-Y126 VanDerWaalsContact NH1-CD1 3.34Å; R21-Y126 PolarHBondContact NH1-O 3.01Å
22G80.6Confident82.7Confident62 Ų6249.8 Ų49.864%0.63928%0.277SS*.  trans72.224.8-170.700000112D19 S24D19-G22 PolarHBondContact OD1-N 3.4Å; G22-S24 PolarHBondContact O-N 3.16Å
23D68.8Low82.7Confident56 Ų5649.2 Ų49.230%0.29927%0.271SS..  trans-66.7117.7178.5-82-22.1000108.9S3 Q4 D19 R21 G25S3-D23 WeakPolarHBondContact CB-OD2 3.42Å; S3-D23 PolarHBondContact OG-OD2 3.26Å; Q4-D23 PolarHBondContact NE2-O 3.4Å; D19-D23 PolarHBondContact OD1-N 2.85Å; D19-D23 PolarHBondContact OD2-N 3.23Å; D19-D23 VanDerWaalsContact OD2-O 3.07Å; R21-D23 VanDerWaalsContact C-N 3.26Å; D23-G25 VanDerWaalsContact C-N 3.32Å; D23-G25 PolarHBondContact O-N 3.45Å
24S55.1Low82.6Confident93 Ų9347.6 Ų47.665%0.6526%0.259SS*.THydrogen-bonded Turntrans-61.782.4-174.457.20000113.1G22G22-S24 PolarHBondContact O-N 3.16Å
25G59.7Low82.4Confident15 Ų1552.4 Ų52.416%0.15527%0.271CS..THydrogen-bonded Turntrans-144.3-27.9175.700000114.1D23 D28D23-G25 VanDerWaalsContact C-N 3.32Å; D23-G25 PolarHBondContact O-N 3.45Å; G25-D28 WeakPolarHBondContact O-CB 3.28Å; G25-D28 PolarHBondContact O-N 3.35Å
26G64.9Low81.9Confident32 Ų3253.9 Ų53.933%0.3328%0.276SS..THydrogen-bonded Turntrans50.1-153.817500000114.7Y17 D28 V29Y17-G26 VanDerWaalsContact CE2-O 3.22Å; Y17-G26 WeakPolarHBondContact CE2-O 3.25Å; Y17-G26 VanDerWaalsContact CZ-C 3.46Å; Y17-G26 VanDerWaalsContact CZ-O 3.27Å; Y17-G26 VanDerWaalsContact OH-CA 3.29Å; Y17-G26 WeakPolarHBondContact OH-CA 3.33Å; Y17-G26 PolarHBondContact OH-N 2.88Å; Y17-G26 PolarHBondContact OH-O 2.86Å; Y17-G26 VanDerWaalsContact OH-O 3.06Å; G26-D28 PolarHBondContact O-N 2.7Å; G26-D28 VanDerWaalsContact O-N 3.12Å; G26-V29 PolarHBondContact O-N 2.96Å
27R64.4Low81.4Confident189 Ų18954.6 Ų54.671%0.71328%0.28SS*.THydrogen-bonded Turntrans-61.2-19.1179.8-65.1-170.1-164.9-156.83.9114.3V29 A30 E31R27-V29 PolarHBondContact O-N 2.82Å; R27-A30 PolarHBondContact O-N 3.07Å; R27-E31 PolarHBondContact O-N 2.7Å
28D80.6Confident80.9Confident75 Ų7557.5 Ų57.540%0.40130%0.296SS..Hα-helixtrans-60.9-28.7176.9-166.36.9000111.4G25 G26 A30 E31 L32G25-D28 WeakPolarHBondContact O-CB 3.28Å; G25-D28 PolarHBondContact O-N 3.35Å; G26-D28 PolarHBondContact O-N 2.7Å; G26-D28 VanDerWaalsContact O-N 3.12Å; D28-A30 PolarHBondContact O-N 3.48Å; D28-E31 PolarHBondContact O-N 3.01Å; D28-L32 VanDerWaalsContact O-CB 3.28Å; D28-L32 WeakPolarHBondContact O-CB 3.28Å; D28-L32 PolarHBondContact O-N 2.92Å
29V84.4Confident80.3Confident0 Ų059.7 Ų59.70%033%0.325CS..Hα-helixtrans-66.3-39.6177.4178.80000112.4F6 G26 R27 L32 F33 R61 F63 T76F6-V29 HydrophobicContact CE1-CG1 4.07Å; G26-V29 PolarHBondContact O-N 2.96Å; R27-V29 PolarHBondContact O-N 2.82Å; V29-L32 PolarHBondContact O-N 2.98Å; V29-F33 PolarHBondContact O-N 2.88Å; V29-R61 VanDerWaalsContact CG2-NH1 3.32Å; V29-F63 HydrophobicContact CG1-CE1 3.61Å; V29-F63 HydrophobicContact CG1-CZ 4Å; V29-T76 HydrophobicContact CG1-CG2 3.97Å
30A87.1Confident79.7Confident2 Ų260 Ų602%0.01733%0.326CS..Hα-helixtrans-67.3-42.9177.900000111.3F6 L8 P14 R27 D28 F33 Y34F6-A30 HydrophobicContact CD2-CB 4.09Å; F6-A30 HydrophobicContact CE2-CB 4.18Å; F6-A30 HydrophobicContact CG-CB 4.38Å; L8-A30 HydrophobicContact CD2-CB 3.92Å; P14-A30 HydrophobicContact CB-CB 4.49Å; R27-A30 PolarHBondContact O-N 3.07Å; D28-A30 PolarHBondContact O-N 3.48Å; A30-F33 PolarHBondContact O-N 2.61Å; A30-Y34 PolarHBondContact O-N 2.96Å
31E87Confident78.8Confident125 Ų12562.9 Ų62.958%0.58435%0.347SS*.Hα-helixtrans-64.1-42.9175.6-171.8-178160.700111.4R27 D28 F33 Y34 R35R27-E31 PolarHBondContact O-N 2.7Å; D28-E31 PolarHBondContact O-N 3.01Å; E31-F33 VanDerWaalsContact C-N 3.34Å; E31-F33 PolarHBondContact O-N 2.94Å; E31-Y34 PolarHBondContact O-N 2.78Å; E31-R35 WeakPolarHBondContact O-CB 3.41Å; E31-R35 PolarHBondContact O-N 2.85Å
32L86.9Confident77.3Confident21 Ų2164.1 Ų64.111%0.1138%0.38CS..Hα-helixtrans-58.5-44.8175.9178.364.1000112D28 V29 K36 T51 H58 F63D28-L32 VanDerWaalsContact O-CB 3.28Å; D28-L32 WeakPolarHBondContact O-CB 3.28Å; D28-L32 PolarHBondContact O-N 2.92Å; V29-L32 PolarHBondContact O-N 2.98Å; L32-K36 WeakPolarHBondContact O-CG 3.44Å; L32-K36 PolarHBondContact O-N 2.93Å; L32-K36 VanDerWaalsContact O-N 3.11Å; L32-T51 HydrophobicContact CD2-CG2 4.1Å; L32-H58 HydrophobicContact CD2-CB 4.03Å; L32-F63 HydrophobicContact CD2-CZ 4.21Å; L32-F63 HydrophobicContact CG-CZ 4.46Å
33F88.3Confident76.2Confident0 Ų069 Ų690%039%0.392CS..Hα-helixtrans-59.1-51.1174.6167.9-93.4000111F6 L8 V29 A30 E31 R35 K36 L37 M49 F63 H65 V74F6-F33 HydrophobicContact CE2-CB 4.14Å; F6-F33 HydrophobicContact CE2-CD1 4.04Å; F6-F33 HydrophobicContact CE2-CG 4.09Å; F6-F33 HydrophobicContact CZ-CB 3.94Å; F6-F33 HydrophobicContact CZ-CG 4.16Å; L8-F33 HydrophobicContact CD1-CD1 3.6Å; L8-F33 HydrophobicContact CD1-CE1 3.98Å; V29-F33 PolarHBondContact O-N 2.88Å; A30-F33 PolarHBondContact O-N 2.61Å; E31-F33 VanDerWaalsContact C-N 3.34Å; E31-F33 PolarHBondContact O-N 2.94Å; F33-R35 PolarHBondContact O-N 3.09Å; F33-K36 WeakPolarHBondContact O-CB 3.42Å; F33-K36 PolarHBondContact O-N 3.38Å; F33-L37 HydrophobicContact CE1-CD2 4.15Å; F33-L37 HydrophobicContact CZ-CD2 4.35Å; F33-L37 PolarHBondContact O-N 3.15Å; F33-M49 HydrophobicContact CD2-CE 3.41Å; F33-M49 VanDerWaalsContact CD2-CE 3.41Å; F33-M49 HydrophobicContact CE2-CE 3.04Å; F33-M49 HydrophobicContact CG-CE 4.44Å; F33-M49 HydrophobicContact CZ-CE 3.82Å; F33-F63 HydrophobicContact CB-CD1 3.79Å; F33-F63 HydrophobicContact CB-CE1 3.71Å; F33-F63 HydrophobicContact CB-CZ 4.37Å; F33-F63 HydrophobicContact CD2-CB 3.77Å; F33-F63 AromaticContact CD2-CD1 3.66Å; F33-F63 HydrophobicContact CD2-CD1 3.66Å; F33-F63 HydrophobicContact CD2-CE1 4.45Å; F33-F63 AromaticContact CD2-CG 3.84Å; F33-F63 HydrophobicContact CD2-CG 3.84Å; F33-F63 HydrophobicContact CE2-CB 4.19Å; F33-F63 HydrophobicContact CG-CD1 4.13Å; F33-H65 HydrophobicContact CE2-CB 3.84Å; F33-H65 AromaticContact CE2-CG 3.82Å; F33-H65 AromaticContact CE2-ND1 3.94Å; F33-H65 HydrophobicContact CZ-CB 3.74Å; F33-H65 AromaticContact CZ-CD2 3.87Å; F33-H65 AromaticContact CZ-CG 3.66Å; F33-V74 HydrophobicContact CD1-CG2 4.06Å; F33-V74 HydrophobicContact CD2-CG1 3.85Å; F33-V74 HydrophobicContact CD2-CG2 4.41Å; F33-V74 HydrophobicContact CE1-CG2 3.59Å; F33-V74 HydrophobicContact CE2-CG1 3.79Å; F33-V74 HydrophobicContact CE2-CG2 3.94Å; F33-V74 HydrophobicContact CG-CG1 4.31Å; F33-V74 HydrophobicContact CG-CG2 4.45Å; F33-V74 HydrophobicContact CZ-CG1 4.27Å; F33-V74 HydrophobicContact CZ-CG2 3.53Å
34Y88.3Confident75.7Confident49 Ų4972.6 Ų72.619%0.19241%0.407CS..Hα-helixtrans-64.4-41.6-175.8-169.9-104.2000111.9L8 S10 K11 G12 A30 E31 K36 L37 M38 Y72L8-Y34 HydrophobicContact CD1-CD2 4.36Å; S10-Y34 PolarHBondContact O-OH 3.37Å; S10-Y34 VanDerWaalsContact O-OH 3.04Å; K11-Y34 WeakPolarHBondContact CA-OH 3.29Å; K11-Y34 VanDerWaalsContact O-CE1 3.29Å; K11-Y34 WeakPolarHBondContact O-CE1 3.42Å; K11-Y34 PolarHBondContact O-OH 3.09Å; G12-Y34 VanDerWaalsContact N-CE2 3.29Å; A30-Y34 PolarHBondContact O-N 2.96Å; E31-Y34 PolarHBondContact O-N 2.78Å; Y34-K36 VanDerWaalsContact C-N 3.3Å; Y34-K36 PolarHBondContact O-N 3.14Å; Y34-L37 WeakPolarHBondContact O-CB 3.36Å; Y34-L37 PolarHBondContact O-N 2.93Å; Y34-M38 HydrophobicContact CD1-CG 4.02Å; Y34-M38 HydrophobicContact CD2-CE 4.36Å; Y34-M38 HydrophobicContact CE1-CE 4.37Å; Y34-M38 HydrophobicContact CE1-CG 3.64Å; Y34-M38 HydrophobicContact CE1-SD 4.25Å; Y34-M38 HydrophobicContact CE2-CE 3.65Å; Y34-M38 HydrophobicContact CE2-CG 4.46Å; Y34-M38 WeakPolarHBondContact O-CG 3.44Å; Y34-M38 PolarHBondContact O-N 2.92Å; Y34-Y72 HydrophobicContact CE2-CE2 4.45Å
35R87Confident76.1Confident154 Ų15471.7 Ų71.758%0.58140%0.4SS*.Hα-helixtrans-60.8-39.5175-174.7177.366.5-155.4-3.1112.2E31 F33 G39E31-R35 WeakPolarHBondContact O-CB 3.41Å; E31-R35 PolarHBondContact O-N 2.85Å; F33-R35 PolarHBondContact O-N 3.09Å; R35-G39 PolarHBondContact O-N 3.33Å
36K84.4Confident76.4Confident60 Ų6073.6 Ų73.626%0.26141%0.41SS..Hα-helixtrans-65.2-45.3174.6-79.8-174.8166.8-154.70111.5L32 F33 Y34 M38 G39 L40 M49 V50 T51L32-K36 WeakPolarHBondContact O-CG 3.44Å; L32-K36 PolarHBondContact O-N 2.93Å; L32-K36 VanDerWaalsContact O-N 3.11Å; F33-K36 WeakPolarHBondContact O-CB 3.42Å; F33-K36 PolarHBondContact O-N 3.38Å; Y34-K36 VanDerWaalsContact C-N 3.3Å; Y34-K36 PolarHBondContact O-N 3.14Å; K36-M38 VanDerWaalsContact C-N 3.3Å; K36-M38 PolarHBondContact O-N 3.5Å; K36-G39 PolarHBondContact O-N 3.45Å; K36-G39 VanDerWaalsContact O-N 3.07Å; K36-L40 WeakPolarHBondContact O-CG 3.49Å; K36-L40 PolarHBondContact O-N 2.9Å; K36-M49 HydrophobicContact CB-SD 4.11Å; K36-V50 PolarHBondContact NZ-O 3.14Å; K36-T51 VanDerWaalsContact NZ-CA 3.26Å
37L85.4Confident76.6Confident16 Ų1675.4 Ų75.48%0.08441%0.414CS..Hα-helixtrans-58.3-43.5178-173.867.6000111.5F33 Y34 G39 L40 M49 Y72F33-L37 HydrophobicContact CE1-CD2 4.15Å; F33-L37 HydrophobicContact CZ-CD2 4.35Å; F33-L37 PolarHBondContact O-N 3.15Å; Y34-L37 WeakPolarHBondContact O-CB 3.36Å; Y34-L37 PolarHBondContact O-N 2.93Å; L37-G39 VanDerWaalsContact C-N 3.31Å; L37-G39 PolarHBondContact O-N 2.99Å; L37-L40 PolarHBondContact O-N 2.95Å; L37-M49 HydrophobicContact CB-CE 4.47Å; L37-M49 HydrophobicContact CD1-CE 4.34Å; L37-Y72 HydrophobicContact CD2-CD1 4.02Å; L37-Y72 HydrophobicContact CD2-CE1 3.59Å; L37-Y72 HydrophobicContact CD2-CE2 4.15Å; L37-Y72 HydrophobicContact CD2-CG 4.47Å
38M84.1Confident77.1Confident101 Ų10168.8 Ų68.850%0.49840%0.395SS..Hα-helixtrans-72.8-21.1176.8-65.7-62117.300113.8Y34 K36 L40Y34-M38 HydrophobicContact CD1-CG 4.02Å; Y34-M38 HydrophobicContact CD2-CE 4.36Å; Y34-M38 HydrophobicContact CE1-CE 4.37Å; Y34-M38 HydrophobicContact CE1-CG 3.64Å; Y34-M38 HydrophobicContact CE1-SD 4.25Å; Y34-M38 HydrophobicContact CE2-CE 3.65Å; Y34-M38 HydrophobicContact CE2-CG 4.46Å; Y34-M38 WeakPolarHBondContact O-CG 3.44Å; Y34-M38 PolarHBondContact O-N 2.92Å; K36-M38 VanDerWaalsContact C-N 3.3Å; K36-M38 PolarHBondContact O-N 3.5Å; M38-L40 VanDerWaalsContact C-N 3.29Å
39G79.8Confident76.8Confident68 Ų6865.8 Ų65.870%0.70138%0.378SS*.Hα-helixtrans-80.7-9.2176.200000113.9R35 K36 L37R35-G39 PolarHBondContact O-N 3.33Å; K36-G39 PolarHBondContact O-N 3.45Å; K36-G39 VanDerWaalsContact O-N 3.07Å; L37-G39 VanDerWaalsContact C-N 3.31Å; L37-G39 PolarHBondContact O-N 2.99Å
40L79.4Confident76.1Confident55 Ų5568.7 Ų68.729%0.28840%0.396SS..SBendtrans-85.1146.2177-67.6164.5000110.7K36 L37 M38 G42 E44 P46 M49K36-L40 WeakPolarHBondContact O-CG 3.49Å; K36-L40 PolarHBondContact O-N 2.9Å; L37-L40 PolarHBondContact O-N 2.95Å; M38-L40 VanDerWaalsContact C-N 3.29Å; L40-G42 PolarHBondContact O-N 2.82Å; L40-E44 WeakPolarHBondContact CB-O 3.48Å; L40-E44 WeakPolarHBondContact CD1-O 3.48Å; L40-P46 HydrophobicContact CD1-CG 4.07Å; L40-M49 HydrophobicContact CD1-SD 3.83Å
41P71.7Confident75.1Confident81 Ų8169.1 Ų69.153%0.52640%0.399SS..  trans-59.1136.1170.825.3-30.9000109.2D43 E44P41-D43 PolarHBondContact O-N 3.41Å; P41-E44 HydrophobicContact CG-CB 4.29Å; P41-E44 HydrophobicContact CG-CG 4.43Å; P41-E44 PolarHBondContact O-N 3.04Å
42G55.6Low73.5Confident93 Ų9369 Ų6996%0.95941%0.406SS*.THydrogen-bonded Turntrans-60.3-3.5-159.900000118.5L40L40-G42 PolarHBondContact O-N 2.82Å
43D57.3Low71.9Confident164 Ų16471.6 Ų71.688%0.87744%0.438SS*.THydrogen-bonded Turntrans-108.8-7178-151.324.6000112.8P41P41-D43 PolarHBondContact O-N 3.41Å
44E59.4Low69.9Low132 Ų13273.9 Ų73.962%0.61746%0.462SS*.  trans-11486.3-179.8-63.6-174.8170.900110.1L40 P41 P46L40-E44 WeakPolarHBondContact CB-O 3.48Å; L40-E44 WeakPolarHBondContact CD1-O 3.48Å; P41-E44 HydrophobicContact CG-CB 4.29Å; P41-E44 HydrophobicContact CG-CG 4.43Å; P41-E44 PolarHBondContact O-N 3.04Å; E44-P46 VanDerWaalsContact O-CD 3.24Å; E44-P46 WeakPolarHBondContact O-CD 3.43Å
45S63.3Low67.9Low73 Ų7384.2 Ų84.251%0.5150%0.501SS..  trans-9992.2163.1630000108.7V47S45-V47 PolarHBondContact O-N 3.2Å
46P65.3Low66.2Low56 Ų5686.5 Ų86.536%0.36451%0.51SS..  trans-66.7128.4179.529.4-31.8000108.5L40 E44 V48 M49 H65L40-P46 HydrophobicContact CD1-CG 4.07Å; E44-P46 VanDerWaalsContact O-CD 3.24Å; E44-P46 WeakPolarHBondContact O-CD 3.43Å; P46-V48 PolarHBondContact O-N 3.48Å; P46-V48 VanDerWaalsContact O-N 3.09Å; P46-M49 HydrophobicContact CG-CG 3.79Å; P46-H65 PolarHBondContact O-CE1 3.21Å
47V68.9Low64.6Low69 Ų6991.2 Ų91.242%0.41853%0.532SS..SBendtrans-53.7-33.7-177.8178.50000111.9S45 I64 H65 L87S45-V47 PolarHBondContact O-N 3.2Å; V47-I64 WeakPolarHBondContact O-CA 3.48Å; V47-H65 PolarHBondContact O-N 3.22Å; V47-L87 HydrophobicContact CG1-CD1 3.37Å; V47-L87 HydrophobicContact CG1-CD2 3.18Å; V47-L87 HydrophobicContact CG1-CG 3.77Å
48V74.1Confident63.1Low50 Ų5091.9 Ų91.930%0.30354%0.535SS..EExtended strand (participates in β ladder)trans-114.6118.5173-172.70000109.6P46 V50 H62 F63 I64 P83P46-V48 PolarHBondContact O-N 3.48Å; P46-V48 VanDerWaalsContact O-N 3.09Å; V48-V50 HydrophobicContact CG1-CG2 4.5Å; V48-H62 HydrophobicContact CG1-CB 4.43Å; V48-F63 CarbonylContact C-O 3.55Å; V48-F63 WeakPolarHBondContact CA-O 3.21Å; V48-I64 HydrophobicContact CG2-CG1 4.23Å; V48-P83 HydrophobicContact CG2-CB 3.6Å; V48-P83 HydrophobicContact CG2-CG 3.94Å
49M75.5Confident62Low12 Ų1292.2 Ų92.26%0.05954%0.539CS..EExtended strand (participates in β ladder)trans-107.7131.4170.9-73.1-175.2-79.700110.1F33 K36 L37 L40 P46 H62 F63F33-M49 HydrophobicContact CD2-CE 3.41Å; F33-M49 VanDerWaalsContact CD2-CE 3.41Å; F33-M49 HydrophobicContact CE2-CE 3.04Å; F33-M49 HydrophobicContact CG-CE 4.44Å; F33-M49 HydrophobicContact CZ-CE 3.82Å; K36-M49 HydrophobicContact CB-SD 4.11Å; L37-M49 HydrophobicContact CB-CE 4.47Å; L37-M49 HydrophobicContact CD1-CE 4.34Å; L40-M49 HydrophobicContact CD1-SD 3.83Å; P46-M49 HydrophobicContact CG-CG 3.79Å; M49-H62 CarbonylContact O-C 3.56Å; M49-H62 WeakPolarHBondContact O-CA 3.24Å; M49-F63 HydrophobicContact CB-CB 4.2Å; M49-F63 PolarHBondContact N-O 3.31Å; M49-F63 PolarHBondContact O-N 2.82Å
50V70Confident61.5Low62 Ų6290.6 Ų90.638%0.37652%0.522SS..EExtended strand (participates in β ladder)trans-106.1139.4178.6-167.50000109.9K36 V48 T52 H62K36-V50 PolarHBondContact NZ-O 3.14Å; V48-V50 HydrophobicContact CG1-CG2 4.5Å; V50-T52 HydrophobicContact CG1-CG2 4.02Å; V50-T52 PolarHBondContact O-N 2.99Å; V50-H62 WeakPolarHBondContact CG2-ND1 3.32Å
51T65.4Low61.5Low11 Ų1188.8 Ų88.87%0.06751%0.511CS..  trans-82.9105.6160.946.40000110L32 K36 H58 G60 R61 F63L32-T51 HydrophobicContact CD2-CG2 4.1Å; K36-T51 VanDerWaalsContact NZ-CA 3.26Å; T51-H58 WeakPolarHBondContact CB-O 3.32Å; T51-H58 PolarHBondContact OG1-O 3.36Å; T51-G60 PolarHBondContact O-N 2.66Å; T51-G60 VanDerWaalsContact O-N 3.09Å; T51-R61 PolarHBondContact N-O 3.33Å; T51-R61 WeakPolarHBondContact OG1-CA 3.46Å; T51-R61 PolarHBondContact OG1-N 2.69Å; T51-R61 PolarHBondContact OG1-O 3.48Å; T51-F63 HydrophobicContact CG2-CE2 3.78Å
52T53.2Low62.2Low121 Ų12187.6 Ų87.674%0.74250%0.499SS*.  trans-112.4126.8165.348.90000108.8V50V50-T52 HydrophobicContact CG1-CG2 4.02Å; V50-T52 PolarHBondContact O-N 2.99Å
53G52.7Low63.9Low76 Ų7683.2 Ų83.278%0.78445%0.453SS*.SBendtrans86.447.6158.500000117.7D59G53-D59 PolarHBondContact N-OD1 3.09Å; G53-D59 VanDerWaalsContact N-OD1 3.15Å
54G46.4Very low65.5Low49 Ų4975.5 Ų75.551%0.50541%0.412SS..  trans-120.3136.5169.200000113.1R56G54-R56 PolarHBondContact O-N 2.93Å
55R46.1Very low67.1Low266 Ų26669.7 Ų69.7100%1.00439%0.385SS*.SBendtrans-64.824.7176.1-77.6-176176.8178.2-0.7115.3
56R51.6Low68.4Low201 Ų20167.8 Ų67.876%0.75837%0.369SS*.SBendtrans-137.9163-179.1-70.3-171.2-178.2-1791.2111.3G54 H58G54-R56 PolarHBondContact O-N 2.93Å; R56-H58 PolarHBondContact O-N 3.45Å
57H51.1Low69.6Low159 Ų15973 Ų7374%0.73638%0.381SS*.THydrogen-bonded Turntrans-50.916.1-176.6-80.4-16000118.9R61H57-R61 PolarHBondContact O-NH2 2.76Å
58H53.9Low70.5Confident30 Ų3073.2 Ų73.214%0.13938%0.377CS..THydrogen-bonded Turntrans-113.79.9-179.2-58.9-75.8000113.7L32 T51 R56 R61L32-H58 HydrophobicContact CD2-CB 4.03Å; T51-H58 WeakPolarHBondContact CB-O 3.32Å; T51-H58 PolarHBondContact OG1-O 3.36Å; R56-H58 PolarHBondContact O-N 3.45Å; H58-R61 PolarHBondContact ND1-NH2 2.96Å
59D60.5Low70.9Confident108 Ų10874.6 Ų74.658%0.57839%0.389SS*.THydrogen-bonded Turntrans-66.2136.8176.5-15527000110.8G53G53-D59 PolarHBondContact N-OD1 3.09Å; G53-D59 VanDerWaalsContact N-OD1 3.15Å
60G69.3Low71.5Confident34 Ų3476.1 Ų76.135%0.35140%0.401SS..THydrogen-bonded Turntrans7920177.100000116.4T51T51-G60 PolarHBondContact O-N 2.66Å; T51-G60 VanDerWaalsContact O-N 3.09Å
61R79.8Confident72.5Confident18 Ų1873.2 Ų73.27%0.06838%0.383CS..PPolyproline II helixtrans-96.2130.9173.7-107.5-179-95.7-169.1-6.5111.1V29 T51 H57 H58V29-R61 VanDerWaalsContact CG2-NH1 3.32Å; T51-R61 PolarHBondContact N-O 3.33Å; T51-R61 WeakPolarHBondContact OG1-CA 3.46Å; T51-R61 PolarHBondContact OG1-N 2.69Å; T51-R61 PolarHBondContact OG1-O 3.48Å; H57-R61 PolarHBondContact O-NH2 2.76Å; H58-R61 PolarHBondContact ND1-NH2 2.96Å
62H87.3Confident73.8Confident55 Ų5573.6 Ų73.626%0.25538%0.383SS..EExtended strand (participates in β ladder)trans-98.2130.5173-56-79.7000109.4V48 M49 V50 I64 T76 T77V48-H62 HydrophobicContact CG1-CB 4.43Å; M49-H62 CarbonylContact O-C 3.56Å; M49-H62 WeakPolarHBondContact O-CA 3.24Å; V50-H62 WeakPolarHBondContact CG2-ND1 3.32Å; H62-I64 HydrophobicContact CB-CD1 4.03Å; H62-T76 CarbonylContact O-C 3.55Å; H62-T76 VanDerWaalsContact O-CA 3.25Å; H62-T76 WeakPolarHBondContact O-CA 3.37Å; H62-T77 HydrophobicContact CB-CG2 3.84Å; H62-T77 PolarHBondContact N-O 3.44Å; H62-T77 PolarHBondContact O-N 3.12Å
63F90.1Very high75.8Confident1 Ų167.9 Ų67.90%0.00435%0.349CS..EExtended strand (participates in β ladder)trans-102.6123169.3-62.2-91.3000108.5F6 V29 L32 F33 V48 M49 T51 V74 T76F6-F63 HydrophobicContact CZ-CD1 4.13Å; F6-F63 HydrophobicContact CZ-CE1 4.15Å; V29-F63 HydrophobicContact CG1-CE1 3.61Å; V29-F63 HydrophobicContact CG1-CZ 4Å; L32-F63 HydrophobicContact CD2-CZ 4.21Å; L32-F63 HydrophobicContact CG-CZ 4.46Å; F33-F63 HydrophobicContact CB-CD1 3.79Å; F33-F63 HydrophobicContact CB-CE1 3.71Å; F33-F63 HydrophobicContact CB-CZ 4.37Å; F33-F63 HydrophobicContact CD2-CB 3.77Å; F33-F63 AromaticContact CD2-CD1 3.66Å; F33-F63 HydrophobicContact CD2-CD1 3.66Å; F33-F63 HydrophobicContact CD2-CE1 4.45Å; F33-F63 AromaticContact CD2-CG 3.84Å; F33-F63 HydrophobicContact CD2-CG 3.84Å; F33-F63 HydrophobicContact CE2-CB 4.19Å; F33-F63 HydrophobicContact CG-CD1 4.13Å; V48-F63 CarbonylContact C-O 3.55Å; V48-F63 WeakPolarHBondContact CA-O 3.21Å; M49-F63 HydrophobicContact CB-CB 4.2Å; M49-F63 PolarHBondContact N-O 3.31Å; M49-F63 PolarHBondContact O-N 2.82Å; T51-F63 HydrophobicContact CG2-CE2 3.78Å; F63-V74 HydrophobicContact CB-CG1 4.41Å; F63-V74 HydrophobicContact CD1-CG1 4.16Å; F63-T76 HydrophobicContact CD1-CG2 3.56Å; F63-T76 HydrophobicContact CE1-CG2 3.62Å; F63-T76 HydrophobicContact CG-CG2 4.44Å
64I92.1Very high77.8Confident3 Ų364.3 Ų64.32%0.01531%0.311CS..EExtended strand (participates in β ladder)trans-113.5129.7172.4-58.781.9000106.6V47 V48 H62 V74 V75 T77 L86 L87 L90V47-I64 WeakPolarHBondContact O-CA 3.48Å; V48-I64 HydrophobicContact CG2-CG1 4.23Å; H62-I64 HydrophobicContact CB-CD1 4.03Å; I64-V74 WeakPolarHBondContact O-CA 3.38Å; I64-V75 HydrophobicContact CB-CG2 3.88Å; I64-V75 PolarHBondContact N-O 3.32Å; I64-V75 PolarHBondContact O-N 3.23Å; I64-T77 HydrophobicContact CD1-CG2 3.68Å; I64-L86 HydrophobicContact CB-CB 4.36Å; I64-L86 HydrophobicContact CD1-CD1 3.56Å; I64-L86 HydrophobicContact CG1-CB 4.44Å; I64-L86 HydrophobicContact CG1-CD1 3.96Å; I64-L86 HydrophobicContact CG2-CB 4.09Å; I64-L87 HydrophobicContact CG2-CD2 3.57Å; I64-L87 HydrophobicContact CG2-CG 3.81Å; I64-L90 HydrophobicContact CG2-CD1 4.25Å
65H92.2Very high80Confident10 Ų1062 Ų625%0.04629%0.287CS..EExtended strand (participates in β ladder)trans-141.1155.3-176.375-71.8000113.2F33 P46 V47 L73 V74F33-H65 HydrophobicContact CE2-CB 3.84Å; F33-H65 AromaticContact CE2-CG 3.82Å; F33-H65 AromaticContact CE2-ND1 3.94Å; F33-H65 HydrophobicContact CZ-CB 3.74Å; F33-H65 AromaticContact CZ-CD2 3.87Å; F33-H65 AromaticContact CZ-CG 3.66Å; P46-H65 PolarHBondContact O-CE1 3.21Å; V47-H65 PolarHBondContact O-N 3.22Å; H65-L73 VanDerWaalsContact CA-O 3.24Å; H65-L73 WeakPolarHBondContact CA-O 3.46Å; H65-L73 WeakPolarHBondContact CB-O 3.35Å; H65-V74 HydrophobicContact CB-CB 4.33Å; H65-V74 HydrophobicContact CB-CG1 4.2Å; H65-V74 HydrophobicContact CB-CG2 3.87Å
66I92Very high82.2Confident33 Ų3349.3 Ų49.317%0.16924%0.239CC..EExtended strand (participates in β ladder)trans-125.1152.2164.266.9171.7000109L73 L87 L90 A94I66-L73 HydrophobicContact CG1-CB 3.99Å; I66-L73 PolarHBondContact N-O 2.84Å; I66-L73 PolarHBondContact O-N 3.5Å; I66-L87 HydrophobicContact CG2-CD2 3.78Å; I66-L90 VanDerWaalsContact CD1-C 3.5Å; I66-L90 HydrophobicContact CD1-CB 3.83Å; I66-L90 WeakPolarHBondContact CD1-O 3.39Å; I66-L90 HydrophobicContact CG1-CB 3.97Å; I66-L90 HydrophobicContact CG1-CD1 4.46Å; I66-L90 HydrophobicContact CG2-CB 4.08Å; I66-L90 HydrophobicContact CG2-CD1 4.17Å; I66-A94 HydrophobicContact CD1-CB 4.32Å
67R89.3Confident84Confident165 Ų16539.8 Ų39.862%0.62320%0.204SC*.EExtended strand (participates in β ladder)trans-102.7118.8167.9-174.9175.6175.5170.3-0.8108.7L71 Y72R67-L71 WeakPolarHBondContact CA-O 3.47Å; R67-Y72 HydrophobicContact CB-CD1 4.27Å; R67-Y72 HydrophobicContact CB-CE1 4.21Å; R67-Y72 HydrophobicContact CG-CD1 4.36Å; R67-Y72 HydrophobicContact CG-CE1 4.06Å
68H87.1Confident85.6Confident74 Ų7435.5 Ų35.534%0.34319%0.191SC..EExtended strand (participates in β ladder)trans-120.6115.4174.9-173.3-78.7000108.8S70 L71 L73H68-S70 PolarHBondContact O-N 2.88Å; H68-L71 PolarHBondContact N-O 3.43Å; H68-L71 PolarHBondContact O-N 3.49Å; H68-L73 HydrophobicContact CB-CD1 4.25Å
69S84.1Confident86.9Confident78 Ų7837.9 Ų37.955%0.54520%0.203SC..THydrogen-bonded Turntrans55.3-120.1-169.2-53.40000111.1
70S87.1Confident88Confident44 Ų4440.7 Ų40.731%0.30822%0.218SC..THydrogen-bonded Turntrans-98.99176.161.60000113.5S10 H68S10-S70 WeakPolarHBondContact CA-O 3.4Å; S10-S70 WeakPolarHBondContact CB-O 3.12Å; S10-S70 PolarHBondContact N-O 3.03Å; H68-S70 PolarHBondContact O-N 2.88Å
71L92.1Very high88.8Confident1 Ų141.2 Ų41.21%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-106.6145.3-176.5-58.9176.7000111.2I7 L8 L15 R67 H68 L73 E106 I109I7-L71 HydrophobicContact CG2-CB 4.27Å; I7-L71 HydrophobicContact CG2-CD1 4.33Å; I7-L71 HydrophobicContact CG2-CD2 4.44Å; L8-L71 WeakPolarHBondContact O-CA 3.48Å; L15-L71 HydrophobicContact CD1-CD2 3.67Å; R67-L71 WeakPolarHBondContact CA-O 3.47Å; H68-L71 PolarHBondContact N-O 3.43Å; H68-L71 PolarHBondContact O-N 3.49Å; L71-L73 HydrophobicContact CB-CD1 4.09Å; L71-E106 HydrophobicContact CD2-CB 4.24Å; L71-I109 HydrophobicContact CD1-CG1 3.93Å
72Y92.8Very high89.2Confident19 Ų1943.1 Ų43.18%0.07523%0.23CC..EExtended strand (participates in β ladder)trans-103.8119.2167.5-61.9-78.6000108.9I7 L8 Y34 L37 R67I7-Y72 CarbonylContact C-O 3.59Å; I7-Y72 VanDerWaalsContact CA-O 3.3Å; I7-Y72 WeakPolarHBondContact CA-O 3.17Å; L8-Y72 HydrophobicContact CB-CD2 4.49Å; L8-Y72 PolarHBondContact N-O 2.71Å; L8-Y72 PolarHBondContact O-N 3.15Å; Y34-Y72 HydrophobicContact CE2-CE2 4.45Å; L37-Y72 HydrophobicContact CD2-CD1 4.02Å; L37-Y72 HydrophobicContact CD2-CE1 3.59Å; L37-Y72 HydrophobicContact CD2-CE2 4.15Å; L37-Y72 HydrophobicContact CD2-CG 4.47Å; R67-Y72 HydrophobicContact CB-CD1 4.27Å; R67-Y72 HydrophobicContact CB-CE1 4.21Å; R67-Y72 HydrophobicContact CG-CD1 4.36Å; R67-Y72 HydrophobicContact CG-CE1 4.06Å
73L95Very high89.3Confident2 Ų242.7 Ų42.71%0.0123%0.232CC..EExtended strand (participates in β ladder)trans-101.6125.6171.2-72.370.6000107.3F5 I7 H65 I66 H68 L71 L90 A94F5-L73 HydrophobicContact CZ-CD2 4.48Å; I7-L73 HydrophobicContact CG1-CG 4.27Å; I7-L73 HydrophobicContact CG2-CD1 4.49Å; H65-L73 VanDerWaalsContact CA-O 3.24Å; H65-L73 WeakPolarHBondContact CA-O 3.46Å; H65-L73 WeakPolarHBondContact CB-O 3.35Å; I66-L73 HydrophobicContact CG1-CB 3.99Å; I66-L73 PolarHBondContact N-O 2.84Å; I66-L73 PolarHBondContact O-N 3.5Å; H68-L73 HydrophobicContact CB-CD1 4.25Å; L71-L73 HydrophobicContact CB-CD1 4.09Å; L73-L90 HydrophobicContact CB-CD2 4.01Å; L73-A94 HydrophobicContact CD2-CB 3.97Å
74V94.1Very high89.3Confident0 Ų050.5 Ų50.50%027%0.267CS..EExtended strand (participates in β ladder)trans-133.4136.8-169.5-1680000110F5 F6 F33 F63 I64 H65F5-V74 WeakPolarHBondContact CA-O 3.36Å; F6-V74 HydrophobicContact CD2-CB 3.74Å; F6-V74 HydrophobicContact CD2-CG1 4.46Å; F6-V74 HydrophobicContact CD2-CG2 3.94Å; F6-V74 HydrophobicContact CE1-CB 4.19Å; F6-V74 HydrophobicContact CE1-CG1 4.04Å; F6-V74 HydrophobicContact CE2-CB 3.37Å; F6-V74 HydrophobicContact CE2-CG1 3.65Å; F6-V74 HydrophobicContact CE2-CG2 3.52Å; F6-V74 HydrophobicContact CG-CB 4.31Å; F6-V74 HydrophobicContact CZ-CB 3.62Å; F6-V74 HydrophobicContact CZ-CG1 3.4Å; F6-V74 HydrophobicContact CZ-CG2 4.19Å; F6-V74 PolarHBondContact N-O 3.49Å; F6-V74 PolarHBondContact O-N 3.12Å; F33-V74 HydrophobicContact CD1-CG2 4.06Å; F33-V74 HydrophobicContact CD2-CG1 3.85Å; F33-V74 HydrophobicContact CD2-CG2 4.41Å; F33-V74 HydrophobicContact CE1-CG2 3.59Å; F33-V74 HydrophobicContact CE2-CG1 3.79Å; F33-V74 HydrophobicContact CE2-CG2 3.94Å; F33-V74 HydrophobicContact CG-CG1 4.31Å; F33-V74 HydrophobicContact CG-CG2 4.45Å; F33-V74 HydrophobicContact CZ-CG1 4.27Å; F33-V74 HydrophobicContact CZ-CG2 3.53Å; F63-V74 HydrophobicContact CB-CG1 4.41Å; F63-V74 HydrophobicContact CD1-CG1 4.16Å; I64-V74 WeakPolarHBondContact O-CA 3.38Å; H65-V74 HydrophobicContact CB-CB 4.33Å; H65-V74 HydrophobicContact CB-CG1 4.2Å; H65-V74 HydrophobicContact CB-CG2 3.87Å
75V93.7Very high89.2Confident0 Ų053.9 Ų53.90%029%0.291CS..EExtended strand (participates in β ladder)trans-117.5150164.3-69.40000110.5I2 Q4 F5 I64 L86 L90I2-V75 HydrophobicContact CG2-CB 4.17Å; I2-V75 HydrophobicContact CG2-CG1 4.05Å; Q4-V75 CarbonylContact O-C 3.51Å; Q4-V75 VanDerWaalsContact O-CA 3.28Å; Q4-V75 WeakPolarHBondContact O-CA 3.48Å; F5-V75 HydrophobicContact CB-CG1 4.39Å; F5-V75 HydrophobicContact CD2-CG1 3.75Å; I64-V75 HydrophobicContact CB-CG2 3.88Å; I64-V75 PolarHBondContact N-O 3.32Å; I64-V75 PolarHBondContact O-N 3.23Å; V75-L86 HydrophobicContact CG2-CB 4.06Å; V75-L86 HydrophobicContact CG2-CD1 4.2Å; V75-L86 HydrophobicContact CG2-CD2 4.44Å; V75-L86 HydrophobicContact CG2-CG 4.47Å; V75-L90 HydrophobicContact CG1-CD2 3.84Å; V75-L90 HydrophobicContact CG1-CG 4.39Å; V75-L90 HydrophobicContact CG2-CD1 4.17Å; V75-L90 HydrophobicContact CG2-CG 4.31Å
76T91.4Very high89.3Confident0 Ų053.8 Ų53.80%029%0.29CS..EExtended strand (participates in β ladder)trans-112.7146171.263.50000111.1S3 Q4 F6 V29 H62 F63S3-T76 PolarHBondContact N-O 2.65Å; Q4-T76 VanDerWaalsContact CB-OG1 3.31Å; Q4-T76 WeakPolarHBondContact CB-OG1 3.39Å; Q4-T76 PolarHBondContact N-OG1 3.25Å; Q4-T76 PolarHBondContact O-N 3.18Å; Q4-T76 PolarHBondContact OE1-OG1 3.22Å; F6-T76 HydrophobicContact CE1-CG2 3.83Å; F6-T76 HydrophobicContact CZ-CG2 4.47Å; V29-T76 HydrophobicContact CG1-CG2 3.97Å; H62-T76 CarbonylContact O-C 3.55Å; H62-T76 VanDerWaalsContact O-CA 3.25Å; H62-T76 WeakPolarHBondContact O-CA 3.37Å; F63-T76 HydrophobicContact CD1-CG2 3.56Å; F63-T76 HydrophobicContact CE1-CG2 3.62Å; F63-T76 HydrophobicContact CG-CG2 4.44Å
77T89.5Confident89.3Confident2 Ų254 Ų541%0.01229%0.292CS..EExtended strand (participates in β ladder)trans-141.7140.1170.1177.60000109.1M1 H62 I64 E79 L86M1-T77 WeakPolarHBondContact O-CB 3.29Å; M1-T77 PolarHBondContact O-OG1 3.06Å; H62-T77 HydrophobicContact CB-CG2 3.84Å; H62-T77 PolarHBondContact N-O 3.44Å; H62-T77 PolarHBondContact O-N 3.12Å; I64-T77 HydrophobicContact CD1-CG2 3.68Å; T77-E79 PolarHBondContact OG1-N 3.11Å; T77-E79 VanDerWaalsContact OG1-N 3.11Å; T77-E79 PolarHBondContact OG1-O 3.04Å; T77-L86 HydrophobicContact CG2-CD1 3.99Å
78S83.6Confident89.4Confident68 Ų6851.7 Ų51.748%0.47629%0.288SS..SBendtrans-95.9-10.8167.750.90000112.3
79E82.5Confident89.8Confident80 Ų8048.6 Ų48.637%0.37427%0.274SS..SBendtrans-99.7159.3180-62.5-179.9-179.800111.7M1 T77 V81M1-E79 WeakPolarHBondContact CG-OE2 3.45Å; M1-E79 VanDerWaalsContact N-CD 3.34Å; M1-E79 PolarHBondContact N-OE2 2.82Å; T77-E79 PolarHBondContact OG1-N 3.11Å; T77-E79 VanDerWaalsContact OG1-N 3.11Å; T77-E79 PolarHBondContact OG1-O 3.04Å; E79-V81 VanDerWaalsContact C-N 3.27Å; E79-V81 HydrophobicContact CB-CG2 4.3Å; E79-V81 PolarHBondContact O-N 3.37Å
80N82.7Confident90.3Very high168 Ų16844.9 Ų44.990%0.89825%0.248SC*.  trans-74.875.5174.8-17113.8000111.4
81V85.5Confident90.6Very high44 Ų4445.3 Ų45.327%0.26725%0.251SS..  trans-96.1143.7173.3-177.80000109.2E79 P83 L86E79-V81 VanDerWaalsContact C-N 3.27Å; E79-V81 HydrophobicContact CB-CG2 4.3Å; E79-V81 PolarHBondContact O-N 3.37Å; V81-P83 WeakPolarHBondContact O-CD 3.28Å; V81-P83 VanDerWaalsContact O-N 3.15Å; V81-L86 HydrophobicContact CB-CD1 4.33Å; V81-L86 HydrophobicContact CG1-CD1 4.17Å; V81-L86 HydrophobicContact CG1-CD2 4.22Å; V81-L86 HydrophobicContact CG1-CG 4.05Å
82S88.8Confident90.6Very high58 Ų5848.4 Ų48.441%0.40626%0.263SS..  trans-54.9118.1173.1178.90000110.8F84 S85S82-F84 PolarHBondContact O-N 3.05Å; S82-S85 PolarHBondContact O-N 3.28Å
83P88.9Confident90.7Very high46 Ų4647.6 Ų47.630%0.29926%0.26SS..Hα-helixtrans-60.3-33.1178.2-25.835.9000112.6V48 V81 S85 L86 L87V48-P83 HydrophobicContact CG2-CB 3.6Å; V48-P83 HydrophobicContact CG2-CG 3.94Å; V81-P83 WeakPolarHBondContact O-CD 3.28Å; V81-P83 VanDerWaalsContact O-N 3.15Å; P83-S85 VanDerWaalsContact C-N 3.33Å; P83-S85 PolarHBondContact O-N 3.2Å; P83-L86 PolarHBondContact O-N 3.26Å; P83-L86 VanDerWaalsContact O-N 3.16Å; P83-L87 VanDerWaalsContact O-CG 3.29Å; P83-L87 WeakPolarHBondContact O-CG 3.29Å; P83-L87 PolarHBondContact O-N 3Å
84F90.4Very high90.7Very high166 Ų16647.7 Ų47.773%0.72826%0.26SS*.Hα-helixtrans-61.7-39.6179.2-65.5-73000112.6S82 L86 L87 E88S82-F84 PolarHBondContact O-N 3.05Å; F84-L86 VanDerWaalsContact C-N 3.3Å; F84-L86 PolarHBondContact O-N 3Å; F84-L87 PolarHBondContact O-N 3.35Å; F84-E88 PolarHBondContact O-N 2.97Å
85S90.8Very high90.6Very high74 Ų7449.3 Ų49.352%0.51727%0.27SS..Hα-helixtrans-65.7-36.1176.8-56.10000111.9S82 P83 L89S82-S85 PolarHBondContact O-N 3.28Å; P83-S85 VanDerWaalsContact C-N 3.33Å; P83-S85 PolarHBondContact O-N 3.2Å; S85-L89 WeakPolarHBondContact O-CB 3.38Å; S85-L89 PolarHBondContact O-N 3.46Å
86L93.3Very high90.6Very high8 Ų849.5 Ų49.54%0.04227%0.271CS..Hα-helixtrans-72.8-35176.9-63.6-178.8000112.1I2 I64 V75 T77 V81 P83 F84 L89 L90I2-L86 HydrophobicContact CD1-CD2 3.76Å; I2-L86 HydrophobicContact CG1-CD2 3.59Å; I64-L86 HydrophobicContact CB-CB 4.36Å; I64-L86 HydrophobicContact CD1-CD1 3.56Å; I64-L86 HydrophobicContact CG1-CB 4.44Å; I64-L86 HydrophobicContact CG1-CD1 3.96Å; I64-L86 HydrophobicContact CG2-CB 4.09Å; V75-L86 HydrophobicContact CG2-CB 4.06Å; V75-L86 HydrophobicContact CG2-CD1 4.2Å; V75-L86 HydrophobicContact CG2-CD2 4.44Å; V75-L86 HydrophobicContact CG2-CG 4.47Å; T77-L86 HydrophobicContact CG2-CD1 3.99Å; V81-L86 HydrophobicContact CB-CD1 4.33Å; V81-L86 HydrophobicContact CG1-CD1 4.17Å; V81-L86 HydrophobicContact CG1-CD2 4.22Å; V81-L86 HydrophobicContact CG1-CG 4.05Å; P83-L86 PolarHBondContact O-N 3.26Å; P83-L86 VanDerWaalsContact O-N 3.16Å; F84-L86 VanDerWaalsContact C-N 3.3Å; F84-L86 PolarHBondContact O-N 3Å; L86-L89 PolarHBondContact O-N 2.93Å; L86-L90 WeakPolarHBondContact O-CB 3.39Å; L86-L90 VanDerWaalsContact O-CG 3.3Å; L86-L90 WeakPolarHBondContact O-CG 3.16Å; L86-L90 PolarHBondContact O-N 2.89Å
87L93Very high90.7Very high38 Ų3849.6 Ų49.620%0.19927%0.272CS..Hα-helixtrans-67.1-43.9174-68.4164.8000112.1V47 I64 I66 P83 F84 L89 L90 S91V47-L87 HydrophobicContact CG1-CD1 3.37Å; V47-L87 HydrophobicContact CG1-CD2 3.18Å; V47-L87 HydrophobicContact CG1-CG 3.77Å; I64-L87 HydrophobicContact CG2-CD2 3.57Å; I64-L87 HydrophobicContact CG2-CG 3.81Å; I66-L87 HydrophobicContact CG2-CD2 3.78Å; P83-L87 VanDerWaalsContact O-CG 3.29Å; P83-L87 WeakPolarHBondContact O-CG 3.29Å; P83-L87 PolarHBondContact O-N 3Å; F84-L87 PolarHBondContact O-N 3.35Å; L87-L89 VanDerWaalsContact C-N 3.34Å; L87-L90 PolarHBondContact O-N 3.43Å; L87-S91 WeakPolarHBondContact O-CB 3.22Å; L87-S91 PolarHBondContact O-N 3.19Å
88E91.5Very high90.7Very high115 Ų11550 Ų5054%0.53728%0.277SS..Hα-helixtrans-59.8-47.7173.8-177.760-157.300109.9F84 L90 S91 R92F84-E88 PolarHBondContact O-N 2.97Å; E88-L90 PolarHBondContact O-N 3.04Å; E88-S91 PolarHBondContact O-N 3.46Å; E88-R92 HydrophobicContact CG-CG 4.31Å; E88-R92 WeakPolarHBondContact O-CB 3.42Å; E88-R92 VanDerWaalsContact O-CG 3.24Å; E88-R92 WeakPolarHBondContact O-CG 3.45Å; E88-R92 PolarHBondContact O-N 3.14Å; E88-R92 WeakPolarHBondContact OE1-CD 3.48Å; E88-R92 WeakPolarHBondContact OE1-CG 3.41Å
89L94.5Very high91.1Very high9 Ų947 Ų475%0.04726%0.255CS..Hα-helixtrans-56.5-47.7175.6176.167.1000112.3I2 S85 L86 L87 S91 R92 L93 V123 L124 V129 T132I2-L89 HydrophobicContact CD1-CD2 3.25Å; S85-L89 WeakPolarHBondContact O-CB 3.38Å; S85-L89 PolarHBondContact O-N 3.46Å; L86-L89 PolarHBondContact O-N 2.93Å; L87-L89 VanDerWaalsContact C-N 3.34Å; L89-S91 VanDerWaalsContact C-N 3.33Å; L89-S91 PolarHBondContact O-N 2.94Å; L89-R92 PolarHBondContact O-N 2.93Å; L89-L93 HydrophobicContact CD1-CD1 4.24Å; L89-L93 HydrophobicContact CD1-CG 4.22Å; L89-L93 HydrophobicContact CG-CD1 4.02Å; L89-L93 HydrophobicContact CG-CG 4.41Å; L89-L93 WeakPolarHBondContact O-CB 3.49Å; L89-L93 WeakPolarHBondContact O-CG 3.24Å; L89-L93 PolarHBondContact O-N 3.29Å; L89-V123 HydrophobicContact CD1-CG1 4.47Å; L89-L124 HydrophobicContact CD2-CD2 4.25Å; L89-V129 HydrophobicContact CD1-CG1 4.01Å; L89-V129 HydrophobicContact CD1-CG2 3.78Å; L89-V129 HydrophobicContact CD2-CG2 3.64Å; L89-V129 HydrophobicContact CG-CG2 4.27Å; L89-T132 HydrophobicContact CD1-CG2 3.95Å
90L95.3Very high91.4Very high0 Ų043.3 Ų43.30%024%0.238CC..Hα-helixtrans-60.6-42.5178.2-78.7178.3000111.7F5 I64 I66 L73 V75 L86 L87 E88 L93 A94F5-L90 HydrophobicContact CD2-CD2 4.19Å; F5-L90 HydrophobicContact CE2-CD2 3.81Å; I64-L90 HydrophobicContact CG2-CD1 4.25Å; I66-L90 VanDerWaalsContact CD1-C 3.5Å; I66-L90 HydrophobicContact CD1-CB 3.83Å; I66-L90 WeakPolarHBondContact CD1-O 3.39Å; I66-L90 HydrophobicContact CG1-CB 3.97Å; I66-L90 HydrophobicContact CG1-CD1 4.46Å; I66-L90 HydrophobicContact CG2-CB 4.08Å; I66-L90 HydrophobicContact CG2-CD1 4.17Å; L73-L90 HydrophobicContact CB-CD2 4.01Å; V75-L90 HydrophobicContact CG1-CD2 3.84Å; V75-L90 HydrophobicContact CG1-CG 4.39Å; V75-L90 HydrophobicContact CG2-CD1 4.17Å; V75-L90 HydrophobicContact CG2-CG 4.31Å; L86-L90 WeakPolarHBondContact O-CB 3.39Å; L86-L90 VanDerWaalsContact O-CG 3.3Å; L86-L90 WeakPolarHBondContact O-CG 3.16Å; L86-L90 PolarHBondContact O-N 2.89Å; L87-L90 PolarHBondContact O-N 3.43Å; E88-L90 PolarHBondContact O-N 3.04Å; L90-L93 PolarHBondContact O-N 2.73Å; L90-A94 PolarHBondContact O-N 2.9Å
91S92.9Very high91.8Very high54 Ų5435.5 Ų35.538%0.37820%0.197SC..Hα-helixtrans-64.8-43.6176.8-170.90000111.2L87 E88 L89 A94 T95L87-S91 WeakPolarHBondContact O-CB 3.22Å; L87-S91 PolarHBondContact O-N 3.19Å; E88-S91 PolarHBondContact O-N 3.46Å; L89-S91 VanDerWaalsContact C-N 3.33Å; L89-S91 PolarHBondContact O-N 2.94Å; S91-A94 WeakPolarHBondContact O-CB 3.12Å; S91-A94 PolarHBondContact O-N 3.07Å; S91-T95 PolarHBondContact O-N 3.41Å; S91-T95 VanDerWaalsContact O-N 3.07Å; S91-T95 PolarHBondContact O-OG1 3.31Å
92R92.5Very high91.9Very high66 Ų6633.6 Ų33.625%0.24919%0.186CC..Hα-helixtrans-64.4-39.7175.9-68.2-59.3-58.3-177.72.9112E88 L89 T95 L96E88-R92 HydrophobicContact CG-CG 4.31Å; E88-R92 WeakPolarHBondContact O-CB 3.42Å; E88-R92 VanDerWaalsContact O-CG 3.24Å; E88-R92 WeakPolarHBondContact O-CG 3.45Å; E88-R92 PolarHBondContact O-N 3.14Å; E88-R92 WeakPolarHBondContact OE1-CD 3.48Å; E88-R92 WeakPolarHBondContact OE1-CG 3.41Å; L89-R92 PolarHBondContact O-N 2.93Å; R92-T95 PolarHBondContact O-N 3.39Å; R92-L96 VanDerWaalsContact O-CB 3.32Å; R92-L96 WeakPolarHBondContact O-CB 3.16Å; R92-L96 PolarHBondContact O-N 2.79Å
93L94.9Very high91.8Very high2 Ų234.6 Ų34.61%0.0119%0.192CC..Hα-helixtrans-62.7-42.2173.5-82.2172.5000111.3F5 L89 L90 T95 L96 L97 L120 V123F5-L93 HydrophobicContact CD2-CD1 4.19Å; F5-L93 HydrophobicContact CE2-CD1 3.8Å; F5-L93 HydrophobicContact CZ-CD1 4.44Å; L89-L93 HydrophobicContact CD1-CD1 4.24Å; L89-L93 HydrophobicContact CD1-CG 4.22Å; L89-L93 HydrophobicContact CG-CD1 4.02Å; L89-L93 HydrophobicContact CG-CG 4.41Å; L89-L93 WeakPolarHBondContact O-CB 3.49Å; L89-L93 WeakPolarHBondContact O-CG 3.24Å; L89-L93 PolarHBondContact O-N 3.29Å; L90-L93 PolarHBondContact O-N 2.73Å; L93-T95 PolarHBondContact O-N 3.08Å; L93-L96 HydrophobicContact CD2-CD2 4.35Å; L93-L96 PolarHBondContact O-N 2.87Å; L93-L97 WeakPolarHBondContact O-CB 3.24Å; L93-L97 WeakPolarHBondContact O-CG 3.3Å; L93-L97 PolarHBondContact O-N 3.24Å; L93-L120 HydrophobicContact CD2-CD2 4.32Å; L93-V123 HydrophobicContact CD2-CB 4.35Å; L93-V123 HydrophobicContact CD2-CG1 3.86Å; L93-V123 HydrophobicContact CD2-CG2 4.29Å
94A94.4Very high91.7Very high3 Ų333 Ų333%0.02518%0.182CC..Hα-helixtrans-59.4-47174.300000111.5I66 L73 L90 S91 L96 L97 G98 L104I66-A94 HydrophobicContact CD1-CB 4.32Å; L73-A94 HydrophobicContact CD2-CB 3.97Å; L90-A94 PolarHBondContact O-N 2.9Å; S91-A94 WeakPolarHBondContact O-CB 3.12Å; S91-A94 PolarHBondContact O-N 3.07Å; A94-L96 PolarHBondContact O-N 2.96Å; A94-L97 PolarHBondContact O-N 3.18Å; A94-G98 PolarHBondContact O-N 2.86Å; A94-L104 HydrophobicContact CB-CD1 3.99Å; A94-L104 WeakPolarHBondContact O-CD1 3.31Å
95T92.1Very high91.7Very high35 Ų3526 Ų2622%0.21516%0.155CC..Hα-helixtrans-60.8-46.3175.5-53.80000111.9S91 R92 L93 L97 G98 D99 E285S91-T95 PolarHBondContact O-N 3.41Å; S91-T95 VanDerWaalsContact O-N 3.07Å; S91-T95 PolarHBondContact O-OG1 3.31Å; R92-T95 PolarHBondContact O-N 3.39Å; L93-T95 PolarHBondContact O-N 3.08Å; T95-L97 PolarHBondContact O-N 3.04Å; T95-G98 CarbonylContact O-C 3.58Å; T95-G98 WeakPolarHBondContact O-CA 3.38Å; T95-G98 PolarHBondContact O-N 3.34Å; T95-G98 VanDerWaalsContact O-N 3.07Å; T95-D99 PolarHBondContact O-N 3.27Å; T95-E285 HydrophobicContact CG2-CB 3.92Å; T95-E285 HydrophobicContact CG2-CG 4.43Å
96L93.3Very high91.8Very high3 Ų326 Ų262%0.01615%0.148CC..Hα-helixtrans-61-46.9179.4-179.370.8000112.2R92 L93 A94 G98 D99 Y100 L119 V123 L137R92-L96 VanDerWaalsContact O-CB 3.32Å; R92-L96 WeakPolarHBondContact O-CB 3.16Å; R92-L96 PolarHBondContact O-N 2.79Å; L93-L96 HydrophobicContact CD2-CD2 4.35Å; L93-L96 PolarHBondContact O-N 2.87Å; A94-L96 PolarHBondContact O-N 2.96Å; L96-G98 PolarHBondContact O-N 2.99Å; L96-D99 PolarHBondContact O-N 3.45Å; L96-D99 VanDerWaalsContact O-N 3.14Å; L96-Y100 HydrophobicContact CD1-CD2 3.85Å; L96-Y100 HydrophobicContact CD1-CE2 3.62Å; L96-Y100 HydrophobicContact CG-CD2 4.26Å; L96-Y100 HydrophobicContact CG-CE2 4.42Å; L96-Y100 WeakPolarHBondContact O-CD2 3.48Å; L96-Y100 PolarHBondContact O-N 3.41Å; L96-L119 HydrophobicContact CD2-CD2 4.46Å; L96-V123 HydrophobicContact CD2-CG2 3.53Å; L96-L137 HydrophobicContact CD1-CD1 3.72Å; L96-L137 HydrophobicContact CD2-CD1 3.56Å; L96-L137 HydrophobicContact CG-CD1 4.26Å
97L93.8Very high91.6Very high2 Ų227.3 Ų27.31%0.0116%0.163CC..Hα-helixtrans-61.6-35.3175-67.9177.3000110.9I7 L93 A94 T95 C101 L104 V116 L119I7-L97 HydrophobicContact CD1-CD1 3.86Å; L93-L97 WeakPolarHBondContact O-CB 3.24Å; L93-L97 WeakPolarHBondContact O-CG 3.3Å; L93-L97 PolarHBondContact O-N 3.24Å; A94-L97 PolarHBondContact O-N 3.18Å; T95-L97 PolarHBondContact O-N 3.04Å; L97-C101 WeakPolarHBondContact O-CA 3.39Å; L97-C101 WeakPolarHBondContact O-CB 3.35Å; L97-C101 PolarHBondContact O-N 2.81Å; L97-L104 HydrophobicContact CB-CD1 4.43Å; L97-L104 HydrophobicContact CB-CD2 3.68Å; L97-V116 HydrophobicContact CD2-CB 4.43Å; L97-V116 HydrophobicContact CD2-CG1 4.01Å; L97-V116 HydrophobicContact CD2-CG2 4.1Å; L97-L119 HydrophobicContact CD2-CD1 3.92Å
98G90.6Very high91.5Very high12 Ų1226.5 Ų26.512%0.12416%0.16CC..Hα-helixtrans-65.9-38.1173.300000113.7A94 T95 L96 G102A94-G98 PolarHBondContact O-N 2.86Å; T95-G98 CarbonylContact O-C 3.58Å; T95-G98 WeakPolarHBondContact O-CA 3.38Å; T95-G98 PolarHBondContact O-N 3.34Å; T95-G98 VanDerWaalsContact O-N 3.07Å; L96-G98 PolarHBondContact O-N 2.99Å; G98-G102 WeakPolarHBondContact CA-O 3.3Å; G98-G102 CarbonylContact O-C 3.58Å; G98-G102 WeakPolarHBondContact O-CA 3.32Å; G98-G102 PolarHBondContact O-N 3.29Å
99D90.3Very high91.6Very high3 Ų321 Ų212%0.01613%0.134CC..Hα-helixtrans-68.6-37.9176.7-76.9-22.5000112.2T95 L96 T134 P180 V181 G284 E285T95-D99 PolarHBondContact O-N 3.27Å; L96-D99 PolarHBondContact O-N 3.45Å; L96-D99 VanDerWaalsContact O-N 3.14Å; D99-T134 HydrophobicContact CB-CG2 4.06Å; D99-T134 PolarHBondContact OD2-OG1 2.92Å; D99-P180 CarbonylContact O-C 3.58Å; D99-P180 VanDerWaalsContact O-CA 3.29Å; D99-P180 WeakPolarHBondContact O-CA 3.34Å; D99-V181 HydrophobicContact CB-CB 4.46Å; D99-V181 HydrophobicContact CB-CG2 3.81Å; D99-V181 PolarHBondContact O-N 2.79Å; D99-G284 WeakPolarHBondContact OD1-CA 3.37Å; D99-E285 PolarHBondContact OD1-N 2.82Å; D99-E285 PolarHBondContact OD2-N 2.82Å
100Y90.8Very high91.5Very high4 Ų423.5 Ų23.52%0.01615%0.152CC..Hα-helixtrans-84.8-41.5179.4-84.6-99.5000113.3L96 L115 L119 T134 L137 R138 I141 A145 P180 L182L96-Y100 HydrophobicContact CD1-CD2 3.85Å; L96-Y100 HydrophobicContact CD1-CE2 3.62Å; L96-Y100 HydrophobicContact CG-CD2 4.26Å; L96-Y100 HydrophobicContact CG-CE2 4.42Å; L96-Y100 WeakPolarHBondContact O-CD2 3.48Å; L96-Y100 PolarHBondContact O-N 3.41Å; Y100-L115 HydrophobicContact CD1-CD1 4.12Å; Y100-L119 HydrophobicContact CD1-CD1 4.15Å; Y100-L119 HydrophobicContact CD1-CD2 3.93Å; Y100-L119 HydrophobicContact CD1-CG 4.45Å; Y100-L119 HydrophobicContact CD2-CD1 4.22Å; Y100-L119 HydrophobicContact CD2-CD2 3.86Å; Y100-L119 HydrophobicContact CE1-CD2 3.87Å; Y100-L119 HydrophobicContact CE2-CD2 3.84Å; Y100-L119 HydrophobicContact CG-CD1 3.77Å; Y100-L119 HydrophobicContact CG-CD2 3.92Å; Y100-L119 HydrophobicContact CG-CG 4.42Å; Y100-T134 HydrophobicContact CD2-CG2 4.29Å; Y100-T134 HydrophobicContact CE2-CG2 3.68Å; Y100-T134 PolarHBondContact OH-O 3.2Å; Y100-L137 WeakPolarHBondContact OH-CB 3.44Å; Y100-R138 VanDerWaalsContact OH-CA 3.3Å; Y100-R138 WeakPolarHBondContact OH-CA 3.46Å; Y100-R138 PolarHBondContact OH-N 2.82Å; Y100-I141 HydrophobicContact CD1-CG2 4.32Å; Y100-I141 HydrophobicContact CE1-CB 4Å; Y100-I141 HydrophobicContact CE1-CG1 3.87Å; Y100-I141 HydrophobicContact CE1-CG2 3.93Å; Y100-A145 WeakPolarHBondContact O-CB 3.49Å; Y100-P180 WeakPolarHBondContact O-CB 3.43Å; Y100-L182 HydrophobicContact CD1-CD1 3.61Å; Y100-L182 HydrophobicContact CE1-CD1 3.13Å; Y100-L182 HydrophobicContact CE1-CG 4.36Å; Y100-L182 HydrophobicContact CE2-CD1 4.49Å; Y100-L182 HydrophobicContact CG-CD1 4.46Å
101C90.3Very high91.4Very high4 Ų429.2 Ų29.23%0.02717%0.174CC..Hα-helixtrans-102.1-13.4-172.6-55.20000113.6L97 T108 N112L97-C101 WeakPolarHBondContact O-CA 3.39Å; L97-C101 WeakPolarHBondContact O-CB 3.35Å; L97-C101 PolarHBondContact O-N 2.81Å; C101-T108 HydrophobicContact CB-CG2 3.76Å; C101-T108 WeakPolarHBondContact O-CG2 3.39Å; C101-N112 HydrophobicContact CB-CB 4.42Å
102G87.8Confident91.4Very high4 Ų426.9 Ų26.94%0.04116%0.157CC..SBendtrans85.9-158-171.300000112.4G98 L104 S178G98-G102 WeakPolarHBondContact CA-O 3.3Å; G98-G102 CarbonylContact O-C 3.58Å; G98-G102 WeakPolarHBondContact O-CA 3.32Å; G98-G102 PolarHBondContact O-N 3.29Å; G102-L104 PolarHBondContact O-N 3.46Å; G102-S178 CarbonylContact C-O 3.52Å; G102-S178 WeakPolarHBondContact CA-O 3.44Å
103S85.8Confident91.6Very high78 Ų7826 Ų2655%0.54516%0.159SC..SBendtrans-48.5116.7-177.5-165.60000112.8G105 T108 S178S103-G105 PolarHBondContact O-N 2.83Å; S103-T108 WeakPolarHBondContact O-CB 3.39Å; S103-T108 PolarHBondContact O-OG1 2.83Å; S103-S178 PolarHBondContact N-O 2.82Å
104L88.3Confident91.6Very high14 Ų1429 Ų297%0.07318%0.184CC..  trans-69.1115.9-179.1-72-172.4000111.5A94 L97 G102 I109A94-L104 HydrophobicContact CB-CD1 3.99Å; A94-L104 WeakPolarHBondContact O-CD1 3.31Å; L97-L104 HydrophobicContact CB-CD1 4.43Å; L97-L104 HydrophobicContact CB-CD2 3.68Å; G102-L104 PolarHBondContact O-N 3.46Å; L104-I109 HydrophobicContact CD2-CD1 3.97Å
105G90.1Very high91.6Very high17 Ų1729 Ų2918%0.17518%0.183CC..SBendtrans-159166.7172.900000110.3S103 G107 T108 I109S103-G105 PolarHBondContact O-N 2.83Å; G105-G107 VanDerWaalsContact C-N 3.33Å; G105-G107 PolarHBondContact O-N 2.84Å; G105-T108 WeakPolarHBondContact O-CB 3.47Å; G105-T108 PolarHBondContact O-N 2.71Å; G105-I109 PolarHBondContact O-N 2.76Å
106E91.6Very high91.8Very high76 Ų7627.3 Ų27.336%0.35517%0.173SC..Hα-helixtrans-52.8-49.4-177.2-178.7175.9167.100112.1L15 L71 T108 I109 S110L15-E106 HydrophobicContact CD1-CB 4.27Å; L15-E106 HydrophobicContact CD1-CG 3.91Å; L15-E106 HydrophobicContact CD2-CG 4.04Å; L71-E106 HydrophobicContact CD2-CB 4.24Å; E106-T108 VanDerWaalsContact C-N 3.28Å; E106-T108 PolarHBondContact O-N 2.9Å; E106-I109 PolarHBondContact O-N 2.88Å; E106-S110 WeakPolarHBondContact O-CB 3.2Å; E106-S110 PolarHBondContact O-N 2.96Å; E106-S110 PolarHBondContact O-OG 2.88Å
107G90.3Very high91.9Very high35 Ų3530.9 Ų30.936%0.36119%0.187SC..Hα-helixtrans-63.3-30.5177.900000114.2G105 R111G105-G107 VanDerWaalsContact C-N 3.33Å; G105-G107 PolarHBondContact O-N 2.84Å; G107-R111 WeakPolarHBondContact O-CG 3.3Å; G107-R111 PolarHBondContact O-N 2.72Å; G107-R111 PolarHBondContact O-NE 3.44Å; G107-R111 VanDerWaalsContact O-NE 3.11Å; G107-R111 PolarHBondContact O-NH2 2.85Å
108T91.1Very high92Very high21 Ų2132.4 Ų32.413%0.12919%0.194CC..Hα-helixtrans-72.8-47.7177.9-56.80000110.8C101 S103 G105 E106 R111 N112C101-T108 HydrophobicContact CB-CG2 3.76Å; C101-T108 WeakPolarHBondContact O-CG2 3.39Å; S103-T108 WeakPolarHBondContact O-CB 3.39Å; S103-T108 PolarHBondContact O-OG1 2.83Å; G105-T108 WeakPolarHBondContact O-CB 3.47Å; G105-T108 PolarHBondContact O-N 2.71Å; E106-T108 VanDerWaalsContact C-N 3.28Å; E106-T108 PolarHBondContact O-N 2.9Å; T108-R111 PolarHBondContact O-N 2.95Å; T108-N112 WeakPolarHBondContact O-CB 3.38Å; T108-N112 PolarHBondContact O-N 3.48Å; T108-N112 PolarHBondContact O-ND2 3.26Å
109I93.8Very high92.2Very high0 Ų031.9 Ų31.90%019%0.188CC..Hα-helixtrans-62.6-47.2179-65-60.2000110.6I7 L15 I16 L71 L104 G105 E106 R111 N112 V113 V116I7-I109 HydrophobicContact CD1-CD1 4.45Å; L15-I109 HydrophobicContact CB-CG2 3.99Å; L15-I109 HydrophobicContact CD1-CB 4.37Å; L15-I109 HydrophobicContact CD1-CG2 4.27Å; I16-I109 HydrophobicContact CD1-CG2 4.2Å; I16-I109 HydrophobicContact CG1-CG2 3.69Å; L71-I109 HydrophobicContact CD1-CG1 3.93Å; L104-I109 HydrophobicContact CD2-CD1 3.97Å; G105-I109 PolarHBondContact O-N 2.76Å; E106-I109 PolarHBondContact O-N 2.88Å; I109-R111 PolarHBondContact O-N 2.78Å; I109-N112 CarbonylContact O-C 3.55Å; I109-N112 PolarHBondContact O-N 2.8Å; I109-V113 WeakPolarHBondContact O-CG2 3.21Å; I109-V113 PolarHBondContact O-N 2.86Å; I109-V113 VanDerWaalsContact O-N 3.17Å; I109-V116 HydrophobicContact CD1-CG2 4.16Å
110S92.7Very high92.5Very high61 Ų6131.8 Ų31.843%0.42719%0.188SC..Hα-helixtrans-62.1-27.8-179.3-60.80000113.7E106 V113E106-S110 WeakPolarHBondContact O-CB 3.2Å; E106-S110 PolarHBondContact O-N 2.96Å; E106-S110 PolarHBondContact O-OG 2.88Å; S110-V113 WeakPolarHBondContact O-CG2 3.45Å
111R92.6Very high92.7Very high120 Ų12036.1 Ų36.145%0.45321%0.211SC..Hα-helixtrans-81.4-24.4174.5-75.2-175.2-70.1-107.4-0113.6G107 T108 I109 V146 S148G107-R111 WeakPolarHBondContact O-CG 3.3Å; G107-R111 PolarHBondContact O-N 2.72Å; G107-R111 PolarHBondContact O-NE 3.44Å; G107-R111 VanDerWaalsContact O-NE 3.11Å; G107-R111 PolarHBondContact O-NH2 2.85Å; T108-R111 PolarHBondContact O-N 2.95Å; I109-R111 PolarHBondContact O-N 2.78Å; R111-V146 HydrophobicContact CB-CB 4.48Å; R111-V146 HydrophobicContact CB-CG1 4.42Å; R111-S148 PolarHBondContact NH2-OG 3.15Å
112N93.6Very high92.9Very high4 Ų439.3 Ų39.32%0.02123%0.226CC..SBendtrans-111.923.8-172.5-69.8-78.4000112.6C101 T108 I109 A114 L115 V116 A145 V146C101-N112 HydrophobicContact CB-CB 4.42Å; T108-N112 WeakPolarHBondContact O-CB 3.38Å; T108-N112 PolarHBondContact O-N 3.48Å; T108-N112 PolarHBondContact O-ND2 3.26Å; I109-N112 CarbonylContact O-C 3.55Å; I109-N112 PolarHBondContact O-N 2.8Å; N112-A114 VanDerWaalsContact C-N 3.29Å; N112-A114 PolarHBondContact O-N 3.31Å; N112-L115 HydrophobicContact CB-CB 4.45Å; N112-L115 WeakPolarHBondContact O-CB 3.41Å; N112-L115 PolarHBondContact O-N 2.96Å; N112-L115 VanDerWaalsContact O-N 3.1Å; N112-V116 VanDerWaalsContact O-CG2 3.32Å; N112-V116 WeakPolarHBondContact O-CG2 3.48Å; N112-V116 PolarHBondContact O-N 3.45Å; N112-A145 WeakPolarHBondContact OD1-CA 3.49Å; N112-V146 PolarHBondContact ND2-O 2.66Å; N112-V146 VanDerWaalsContact ND2-O 3.11Å; N112-V146 PolarHBondContact OD1-N 3.12Å
113V95.4Very high93.3Very high49 Ų4939.1 Ų39.130%0.29722%0.224SC..Hα-helixtrans-54.1-42.9-174.5173.80000112.7I16 I109 S110 V116 Y117I16-V113 HydrophobicContact CD1-CB 4.28Å; I16-V113 HydrophobicContact CD1-CG1 3.9Å; I16-V113 HydrophobicContact CD1-CG2 4.14Å; I109-V113 WeakPolarHBondContact O-CG2 3.21Å; I109-V113 PolarHBondContact O-N 2.86Å; I109-V113 VanDerWaalsContact O-N 3.17Å; S110-V113 WeakPolarHBondContact O-CG2 3.45Å; V113-V116 PolarHBondContact O-N 2.99Å; V113-Y117 HydrophobicContact CG1-CD2 3.62Å; V113-Y117 HydrophobicContact CG1-CE2 3.4Å; V113-Y117 WeakPolarHBondContact O-CD2 3.32Å; V113-Y117 PolarHBondContact O-N 3.47Å
114A94.8Very high93.7Very high65 Ų6535.5 Ų35.554%0.53720%0.198SC..Hα-helixtrans-60.5-48.8177.900000112.1N112 V116 Y117 E118 T143N112-A114 VanDerWaalsContact C-N 3.29Å; N112-A114 PolarHBondContact O-N 3.31Å; A114-V116 VanDerWaalsContact C-N 3.32Å; A114-V116 PolarHBondContact O-N 3.43Å; A114-Y117 PolarHBondContact O-N 2.87Å; A114-E118 PolarHBondContact O-N 3.28Å; A114-T143 HydrophobicContact CB-CG2 4.32Å
115L94.4Very high93.9Very high2 Ų239.7 Ų39.71%0.0122%0.221CC..Hα-helixtrans-62-39.8177174.856.6000111.9Y100 N112 E118 L119 I141 T143 A145Y100-L115 HydrophobicContact CD1-CD1 4.12Å; N112-L115 HydrophobicContact CB-CB 4.45Å; N112-L115 WeakPolarHBondContact O-CB 3.41Å; N112-L115 PolarHBondContact O-N 2.96Å; N112-L115 VanDerWaalsContact O-N 3.1Å; L115-E118 PolarHBondContact O-N 3.37Å; L115-L119 HydrophobicContact CD1-CD1 4.1Å; L115-L119 HydrophobicContact CD1-CG 4.17Å; L115-L119 HydrophobicContact CG-CD1 4.08Å; L115-L119 WeakPolarHBondContact O-CB 3.26Å; L115-L119 WeakPolarHBondContact O-CG 3.31Å; L115-L119 PolarHBondContact O-N 3.42Å; L115-I141 HydrophobicContact CD1-CG2 3.43Å; L115-I141 VanDerWaalsContact CD1-CG2 3.43Å; L115-T143 HydrophobicContact CB-CG2 3.83Å; L115-A145 HydrophobicContact CD2-CB 3.89Å
116V95.9Very high94Very high0 Ų044.8 Ų44.80%024%0.236CC..Hα-helixtrans-63.9-43.2177.2177.40000111I16 L97 I109 N112 V113 A114 L119 L120I16-V116 HydrophobicContact CD1-CB 4Å; I16-V116 HydrophobicContact CD1-CG1 3.82Å; I16-V116 HydrophobicContact CG1-CG1 3.86Å; I16-V116 HydrophobicContact CG2-CG1 4.22Å; L97-V116 HydrophobicContact CD2-CB 4.43Å; L97-V116 HydrophobicContact CD2-CG1 4.01Å; L97-V116 HydrophobicContact CD2-CG2 4.1Å; I109-V116 HydrophobicContact CD1-CG2 4.16Å; N112-V116 VanDerWaalsContact O-CG2 3.32Å; N112-V116 WeakPolarHBondContact O-CG2 3.48Å; N112-V116 PolarHBondContact O-N 3.45Å; V113-V116 PolarHBondContact O-N 2.99Å; A114-V116 VanDerWaalsContact C-N 3.32Å; A114-V116 PolarHBondContact O-N 3.43Å; V116-L119 PolarHBondContact O-N 3.03Å; V116-L120 HydrophobicContact CG1-CD1 4.12Å; V116-L120 HydrophobicContact CG1-CG 4.48Å; V116-L120 VanDerWaalsContact O-CG 3.24Å; V116-L120 WeakPolarHBondContact O-CG 3.45Å; V116-L120 PolarHBondContact O-N 3.23Å
117Y96.3Very high93.9Very high77 Ų7741.4 Ų41.430%0.30222%0.221SC..Hα-helixtrans-63.9-43.5176.8-82.1-64.1000112.4I16 Y17 K18 V113 A114 L120 D121I16-Y117 HydrophobicContact CD1-CE2 4.16Å; I16-Y117 HydrophobicContact CG2-CE1 4.12Å; Y17-Y117 PolarHBondContact N-OH 3.01Å; Y17-Y117 WeakPolarHBondContact O-CE1 3.17Å; Y17-Y117 PolarHBondContact O-OH 2.81Å; Y17-Y117 VanDerWaalsContact O-OH 3.05Å; K18-Y117 HydrophobicContact CB-CE1 4.23Å; K18-Y117 HydrophobicContact CD-CD1 4.25Å; K18-Y117 PolarHBondContact NZ-O 3.46Å; V113-Y117 HydrophobicContact CG1-CD2 3.62Å; V113-Y117 HydrophobicContact CG1-CE2 3.4Å; V113-Y117 WeakPolarHBondContact O-CD2 3.32Å; V113-Y117 PolarHBondContact O-N 3.47Å; A114-Y117 PolarHBondContact O-N 2.87Å; Y117-L120 PolarHBondContact O-N 3.43Å; Y117-L120 VanDerWaalsContact O-N 3.14Å; Y117-D121 PolarHBondContact O-N 3.38Å; Y117-D121 VanDerWaalsContact O-OD2 3.09Å
118E95.6Very high93.9Very high35 Ų3545.1 Ų45.116%0.16423%0.225CC..Hα-helixtrans-59.9-46.4176.7-167.5-178.6-17000111.3A114 L115 L120 D121 E122 I141 Q142 T143A114-E118 PolarHBondContact O-N 3.28Å; L115-E118 PolarHBondContact O-N 3.37Å; E118-L120 VanDerWaalsContact C-N 3.29Å; E118-L120 PolarHBondContact O-N 2.88Å; E118-D121 PolarHBondContact O-N 3.19Å; E118-D121 VanDerWaalsContact O-N 3.15Å; E118-E122 PolarHBondContact O-N 3.07Å; E118-E122 VanDerWaalsContact O-N 3.14Å; E118-I141 HydrophobicContact CB-CD1 4.33Å; E118-I141 HydrophobicContact CG-CD1 3.75Å; E118-I141 WeakPolarHBondContact OE1-CA 3.28Å; E118-Q142 PolarHBondContact OE1-N 3.14Å; E118-T143 WeakPolarHBondContact OE2-CB 3.32Å; E118-T143 PolarHBondContact OE2-N 3.32Å; E118-T143 PolarHBondContact OE2-OG1 3.02Å
119L95.4Very high94.1Very high1 Ų147.6 Ų47.61%0.00524%0.24CC..Hα-helixtrans-58.7-41.7173.7-76.2166.7000112.1L96 L97 Y100 L115 V116 D121 E122 V123 I141L96-L119 HydrophobicContact CD2-CD2 4.46Å; L97-L119 HydrophobicContact CD2-CD1 3.92Å; Y100-L119 HydrophobicContact CD1-CD1 4.15Å; Y100-L119 HydrophobicContact CD1-CD2 3.93Å; Y100-L119 HydrophobicContact CD1-CG 4.45Å; Y100-L119 HydrophobicContact CD2-CD1 4.22Å; Y100-L119 HydrophobicContact CD2-CD2 3.86Å; Y100-L119 HydrophobicContact CE1-CD2 3.87Å; Y100-L119 HydrophobicContact CE2-CD2 3.84Å; Y100-L119 HydrophobicContact CG-CD1 3.77Å; Y100-L119 HydrophobicContact CG-CD2 3.92Å; Y100-L119 HydrophobicContact CG-CG 4.42Å; L115-L119 HydrophobicContact CD1-CD1 4.1Å; L115-L119 HydrophobicContact CD1-CG 4.17Å; L115-L119 HydrophobicContact CG-CD1 4.08Å; L115-L119 WeakPolarHBondContact O-CB 3.26Å; L115-L119 WeakPolarHBondContact O-CG 3.31Å; L115-L119 PolarHBondContact O-N 3.42Å; V116-L119 PolarHBondContact O-N 3.03Å; L119-D121 VanDerWaalsContact C-N 3.33Å; L119-D121 PolarHBondContact O-N 3.33Å; L119-E122 PolarHBondContact O-N 3.48Å; L119-V123 WeakPolarHBondContact O-CB 3.46Å; L119-V123 WeakPolarHBondContact O-CG2 3.37Å; L119-V123 PolarHBondContact O-N 3.23Å; L119-I141 HydrophobicContact CD2-CD1 3.74Å; L119-I141 HydrophobicContact CD2-CG1 3.76Å; L119-I141 HydrophobicContact CG-CD1 4.07Å; L119-I141 HydrophobicContact CG-CG1 4.45Å
120L96.1Very high94.1Very high1 Ų153 Ų531%0.00527%0.265CS..Hα-helixtrans-68.2-31.8178.4-69.6171.1000112.7F5 I16 K18 L93 V116 Y117 E118 L124F5-L120 HydrophobicContact CD1-CD1 3.56Å; F5-L120 HydrophobicContact CD1-CD2 3.68Å; F5-L120 HydrophobicContact CD1-CG 4.29Å; F5-L120 HydrophobicContact CE1-CD1 3.73Å; F5-L120 HydrophobicContact CE1-CD2 3.69Å; F5-L120 HydrophobicContact CE1-CG 4.32Å; F5-L120 HydrophobicContact CG-CD2 4.17Å; F5-L120 HydrophobicContact CZ-CD2 4.2Å; I16-L120 HydrophobicContact CG2-CD1 3.84Å; K18-L120 HydrophobicContact CB-CD1 4.39Å; K18-L120 HydrophobicContact CD-CB 3.74Å; K18-L120 HydrophobicContact CD-CD1 4.12Å; L93-L120 HydrophobicContact CD2-CD2 4.32Å; V116-L120 HydrophobicContact CG1-CD1 4.12Å; V116-L120 HydrophobicContact CG1-CG 4.48Å; V116-L120 VanDerWaalsContact O-CG 3.24Å; V116-L120 WeakPolarHBondContact O-CG 3.45Å; V116-L120 PolarHBondContact O-N 3.23Å; Y117-L120 PolarHBondContact O-N 3.43Å; Y117-L120 VanDerWaalsContact O-N 3.14Å; E118-L120 VanDerWaalsContact C-N 3.29Å; E118-L120 PolarHBondContact O-N 2.88Å; L120-L124 PolarHBondContact O-N 3.02Å; L120-L124 VanDerWaalsContact O-N 3.09Å
121D94.6Very high94Very high94 Ų9451.4 Ų51.450%0.50325%0.253SS..Hα-helixtrans-65.6-41.1174.4-81.2-51.4000111.1K18 Y117 E118 L119K18-D121 WeakPolarHBondContact CE-OD1 3.22Å; K18-D121 VanDerWaalsContact NZ-CA 3.27Å; K18-D121 IonicContact NZ-OD1 2.68Å; K18-D121 PolarHBondContact NZ-OD1 3.4Å; K18-D121 IonicContact NZ-OD2 2.61Å; K18-D121 PolarHBondContact NZ-OD2 2.83Å; Y117-D121 PolarHBondContact O-N 3.38Å; Y117-D121 VanDerWaalsContact O-OD2 3.09Å; E118-D121 PolarHBondContact O-N 3.19Å; E118-D121 VanDerWaalsContact O-N 3.15Å; L119-D121 VanDerWaalsContact C-N 3.33Å; L119-D121 PolarHBondContact O-N 3.33Å
122E95.3Very high93.9Very high71 Ų7147.6 Ų47.633%0.33224%0.243SC..Hα-helixtrans-79.8-30.1-178.6-63.8-58.9143.200113.2E118 L119 L137 F140 I141E118-E122 PolarHBondContact O-N 3.07Å; E118-E122 VanDerWaalsContact O-N 3.14Å; L119-E122 PolarHBondContact O-N 3.48Å; E122-L137 HydrophobicContact CB-CD2 3.46Å; E122-L137 VanDerWaalsContact CB-CD2 3.46Å; E122-F140 HydrophobicContact CG-CB 3.93Å; E122-F140 WeakPolarHBondContact OE2-CB 3.4Å; E122-I141 HydrophobicContact CB-CD1 4.36Å; E122-I141 HydrophobicContact CG-CD1 3.88Å
123V95.9Very high93.6Very high0 Ų048.9 Ų48.90%025%0.252CS..Hα-helixtrans-79.5-38.1178.4176.80000111.6L89 L93 L96 L119 Q130 T131 T132 L137L89-V123 HydrophobicContact CD1-CG1 4.47Å; L93-V123 HydrophobicContact CD2-CB 4.35Å; L93-V123 HydrophobicContact CD2-CG1 3.86Å; L93-V123 HydrophobicContact CD2-CG2 4.29Å; L96-V123 HydrophobicContact CD2-CG2 3.53Å; L119-V123 WeakPolarHBondContact O-CB 3.46Å; L119-V123 WeakPolarHBondContact O-CG2 3.37Å; L119-V123 PolarHBondContact O-N 3.23Å; V123-Q130 PolarHBondContact O-N 3.39Å; V123-T131 WeakPolarHBondContact CG2-O 3.39Å; V123-T132 HydrophobicContact CG1-CG2 4.09Å; V123-L137 HydrophobicContact CG2-CD1 3.74Å; V123-L137 HydrophobicContact CG2-CD2 4.22Å
124L94.4Very high93.2Very high2 Ų247 Ų471%0.0124%0.241CC..EExtended strand (participates in β ladder)trans-127.3112.9-173.2-72.3169.7000110.9I2 F20 L89 L120 Y128 V129I2-L124 HydrophobicContact CD1-CD1 4.47Å; I2-L124 HydrophobicContact CD1-CD2 3.75Å; F20-L124 HydrophobicContact CD1-CB 4.08Å; F20-L124 HydrophobicContact CE1-CB 3.39Å; F20-L124 HydrophobicContact CE1-CD1 4.21Å; F20-L124 HydrophobicContact CE1-CG 4.43Å; F20-L124 WeakPolarHBondContact CE1-O 3.2Å; F20-L124 HydrophobicContact CE2-CB 4.29Å; F20-L124 HydrophobicContact CE2-CD1 3.63Å; F20-L124 HydrophobicContact CZ-CB 3.52Å; F20-L124 HydrophobicContact CZ-CD1 3.41Å; F20-L124 VanDerWaalsContact CZ-CD1 3.41Å; F20-L124 HydrophobicContact CZ-CG 4.09Å; L89-L124 HydrophobicContact CD2-CD2 4.25Å; L120-L124 PolarHBondContact O-N 3.02Å; L120-L124 VanDerWaalsContact O-N 3.09Å; L124-Y128 WeakPolarHBondContact CA-O 3.47Å; L124-V129 HydrophobicContact CD2-CB 4.41Å; L124-V129 HydrophobicContact CD2-CG2 3.77Å
125D92.9Very high92.6Very high102 Ų10246.6 Ų46.655%0.54523%0.228SC..EExtended strand (participates in β ladder)trans-107.6120.9170.9-175.513.2000109.7G127 Y128 Q130D125-G127 PolarHBondContact O-N 3.4Å; D125-Y128 PolarHBondContact N-O 3.2Å; D125-Y128 WeakPolarHBondContact O-CB 3.47Å; D125-Y128 PolarHBondContact O-N 2.91Å; D125-Q130 HydrophobicContact CB-CG 3.87Å
126Y91.3Very high92.2Very high125 Ų12551.7 Ų51.749%0.4925%0.253SS..THydrogen-bonded Turntrans47.731.2-179-160.6-114.6000115.2F20 R21 Y128F20-Y126 WeakPolarHBondContact O-CD2 3.35Å; R21-Y126 WeakPolarHBondContact CD-O 3.31Å; R21-Y126 VanDerWaalsContact NH1-CD1 3.34Å; R21-Y126 PolarHBondContact NH1-O 3.01Å; Y126-Y128 HydrophobicContact CD1-CE2 4.3Å
127G89.1Confident91.9Very high4 Ų451.7 Ų51.74%0.04125%0.253CS..THydrogen-bonded Turntrans88.86.418000000115.4I2 D125I2-G127 PolarHBondContact N-O 3.11Å; I2-G127 WeakPolarHBondContact O-CA 3.36Å; D125-G127 PolarHBondContact O-N 3.4Å
128Y91.7Very high91.3Very high114 Ų11453.6 Ų53.645%0.44726%0.259SS..EExtended strand (participates in β ladder)trans-104.1135.3174.2-62.4-88.1000111.3M1 L124 D125 Y126 Q130M1-Y128 HydrophobicContact CE-CE1 3.53Å; M1-Y128 VanDerWaalsContact CE-CZ 3.46Å; M1-Y128 WeakPolarHBondContact CE-OH 3.43Å; M1-Y128 HydrophobicContact CG-CE1 4.04Å; M1-Y128 HydrophobicContact SD-CE1 3.66Å; M1-Y128 HydrophobicContact SD-CE2 3.9Å; M1-Y128 PolarHBondContact SD-OH 2.93Å; L124-Y128 WeakPolarHBondContact CA-O 3.47Å; D125-Y128 PolarHBondContact N-O 3.2Å; D125-Y128 WeakPolarHBondContact O-CB 3.47Å; D125-Y128 PolarHBondContact O-N 2.91Å; Y126-Y128 HydrophobicContact CD1-CE2 4.3Å; Y128-Q130 PolarHBondContact O-N 2.91Å
129V93.9Very high90.8Very high73 Ų7358.3 Ų58.344%0.44229%0.286SS..EExtended strand (participates in β ladder)trans-74119.3176.3-175.30000109.4I2 L89 L124 T132I2-V129 HydrophobicContact CD1-CG2 4.45Å; L89-V129 HydrophobicContact CD1-CG1 4.01Å; L89-V129 HydrophobicContact CD1-CG2 3.78Å; L89-V129 HydrophobicContact CD2-CG2 3.64Å; L89-V129 HydrophobicContact CG-CG2 4.27Å; L124-V129 HydrophobicContact CD2-CB 4.41Å; L124-V129 HydrophobicContact CD2-CG2 3.77Å; V129-T132 HydrophobicContact CG1-CG2 3.94Å
130Q93.9Very high90.5Very high114 Ų11463.6 Ų63.653%0.53331%0.309SS..  trans-92.4-60.3177.8-58-55.8-37.100110.7V123 D125 Y128V123-Q130 PolarHBondContact O-N 3.39Å; D125-Q130 HydrophobicContact CB-CG 3.87Å; Y128-Q130 PolarHBondContact O-N 2.91Å
131T91.1Very high90.2Very high27 Ų2764.3 Ų64.317%0.16631%0.312CS..  trans-152.6143.5179.7-1760000111.5V123 S133 M136 L137V123-T131 WeakPolarHBondContact CG2-O 3.39Å; T131-S133 PolarHBondContact OG1-N 3.17Å; T131-M136 WeakPolarHBondContact OG1-CE 3.36Å; T131-L137 HydrophobicContact CG2-CD2 3.59Å; T131-L137 HydrophobicContact CG2-CG 3.92Å
132T91Very high89.9Confident40 Ų4067.6 Ų67.625%0.24533%0.325CS..  trans-121.118.1174.962.50000111.7L89 V123 V129L89-T132 HydrophobicContact CD1-CG2 3.95Å; V123-T132 HydrophobicContact CG1-CG2 4.09Å; V129-T132 HydrophobicContact CG1-CG2 3.94Å
133S87.3Confident89.6Confident30 Ų3066.9 Ų66.921%0.2133%0.325CS..  trans-88.8119.5179.3178.20000110.4T131 E135 M136 L137T131-S133 PolarHBondContact OG1-N 3.17Å; S133-E135 PolarHBondContact O-N 3.44Å; S133-M136 PolarHBondContact O-N 3.03Å; S133-L137 WeakPolarHBondContact O-CB 3.26Å; S133-L137 WeakPolarHBondContact O-CG 3.36Å; S133-L137 PolarHBondContact O-N 2.94Å
134T86.6Confident89.1Confident11 Ų1170.8 Ų70.87%0.06734%0.344CS..Hα-helixtrans-51.8-40.3176.3-52.10000111.6D99 Y100 R138D99-T134 HydrophobicContact CB-CG2 4.06Å; D99-T134 PolarHBondContact OD2-OG1 2.92Å; Y100-T134 HydrophobicContact CD2-CG2 4.29Å; Y100-T134 HydrophobicContact CE2-CG2 3.68Å; Y100-T134 PolarHBondContact OH-O 3.2Å; T134-R138 PolarHBondContact O-N 2.79Å
135E82.1Confident88.6Confident56 Ų5672.1 Ų72.126%0.26236%0.355SS..Hα-helixtrans-71.8-42.2-177.8-62-176.416900113.2S133 R138 S229 P282 Q283S133-E135 PolarHBondContact O-N 3.44Å; E135-R138 WeakPolarHBondContact O-CB 3.47Å; E135-R138 PolarHBondContact O-N 2.98Å; E135-S229 VanDerWaalsContact CD-CB 3.5Å; E135-S229 WeakPolarHBondContact OE1-CB 3.47Å; E135-S229 WeakPolarHBondContact OE2-CB 3.4Å; E135-P282 WeakPolarHBondContact OE1-CA 3.33Å; E135-Q283 HydrophobicContact CG-CB 4.08Å; E135-Q283 PolarHBondContact OE1-N 3.22Å
136M86.6Confident88.2Confident109 Ų10971 Ų7154%0.53735%0.352SS..Hα-helixtrans-67.4-43.8178.4-68-166.2-93.100110.6T131 S133 R138 N139 F140T131-M136 WeakPolarHBondContact OG1-CE 3.36Å; S133-M136 PolarHBondContact O-N 3.03Å; M136-R138 PolarHBondContact O-N 3.43Å; M136-N139 PolarHBondContact O-N 2.87Å; M136-F140 WeakPolarHBondContact O-CD2 3.24Å; M136-F140 WeakPolarHBondContact O-CE2 3.3Å
137L89.5Confident87.6Confident0 Ų068.8 Ų68.80%035%0.351CS..Hα-helixtrans-62.7-30.5179.4-71.5168.3000112.6L96 Y100 E122 V123 T131 S133 N139 F140 I141L96-L137 HydrophobicContact CD1-CD1 3.72Å; L96-L137 HydrophobicContact CD2-CD1 3.56Å; L96-L137 HydrophobicContact CG-CD1 4.26Å; Y100-L137 WeakPolarHBondContact OH-CB 3.44Å; E122-L137 HydrophobicContact CB-CD2 3.46Å; E122-L137 VanDerWaalsContact CB-CD2 3.46Å; V123-L137 HydrophobicContact CG2-CD1 3.74Å; V123-L137 HydrophobicContact CG2-CD2 4.22Å; T131-L137 HydrophobicContact CG2-CD2 3.59Å; T131-L137 HydrophobicContact CG2-CG 3.92Å; S133-L137 WeakPolarHBondContact O-CB 3.26Å; S133-L137 WeakPolarHBondContact O-CG 3.36Å; S133-L137 PolarHBondContact O-N 2.94Å; L137-N139 PolarHBondContact O-N 3.34Å; L137-F140 PolarHBondContact O-N 2.85Å; L137-I141 HydrophobicContact CB-CG1 4.47Å; L137-I141 WeakPolarHBondContact O-CG1 3.21Å; L137-I141 PolarHBondContact O-N 3.21Å; L137-I141 VanDerWaalsContact O-N 3.08Å
138R83.8Confident86.4Confident116 Ų11671.5 Ų71.544%0.43837%0.369SS..THydrogen-bonded Turntrans-53.4-31.4-177.3-176.3-177.8175.6171.4-3.7113.5Y100 T134 E135 M136 F140 L182 Q283Y100-R138 VanDerWaalsContact OH-CA 3.3Å; Y100-R138 WeakPolarHBondContact OH-CA 3.46Å; Y100-R138 PolarHBondContact OH-N 2.82Å; T134-R138 PolarHBondContact O-N 2.79Å; E135-R138 WeakPolarHBondContact O-CB 3.47Å; E135-R138 PolarHBondContact O-N 2.98Å; M136-R138 PolarHBondContact O-N 3.43Å; R138-F140 VanDerWaalsContact C-N 3.33Å; R138-L182 HydrophobicContact CG-CD1 4.22Å; R138-L182 HydrophobicContact CG-CD2 3.83Å; R138-Q283 VanDerWaalsContact NH1-OE1 3.1Å
139N85.2Confident84.9Confident134 Ų13474.9 Ų74.972%0.71739%0.386SS*.THydrogen-bonded Turntrans-78.2-18.9-179-63.8-33.8000113.3M136 L137M136-N139 PolarHBondContact O-N 2.87Å; L137-N139 PolarHBondContact O-N 3.34Å
140F88.1Confident82.9Confident113 Ų11376.1 Ų76.150%0.49640%0.395SS..THydrogen-bonded Turntrans-102.1-23.9-177.2-55.6-75.5000112.4E122 M136 L137 R138E122-F140 HydrophobicContact CG-CB 3.93Å; E122-F140 WeakPolarHBondContact OE2-CB 3.4Å; M136-F140 WeakPolarHBondContact O-CD2 3.24Å; M136-F140 WeakPolarHBondContact O-CE2 3.3Å; L137-F140 PolarHBondContact O-N 2.85Å; R138-F140 VanDerWaalsContact C-N 3.33Å
141I89.7Confident80.5Confident15 Ų1579.7 Ų79.78%0.07741%0.409CS..  trans-84.4124.7178.8-55.5-57.1000111.8Y100 L115 E118 L119 E122 L137Y100-I141 HydrophobicContact CD1-CG2 4.32Å; Y100-I141 HydrophobicContact CE1-CB 4Å; Y100-I141 HydrophobicContact CE1-CG1 3.87Å; Y100-I141 HydrophobicContact CE1-CG2 3.93Å; L115-I141 HydrophobicContact CD1-CG2 3.43Å; L115-I141 VanDerWaalsContact CD1-CG2 3.43Å; E118-I141 HydrophobicContact CB-CD1 4.33Å; E118-I141 HydrophobicContact CG-CD1 3.75Å; E118-I141 WeakPolarHBondContact OE1-CA 3.28Å; L119-I141 HydrophobicContact CD2-CD1 3.74Å; L119-I141 HydrophobicContact CD2-CG1 3.76Å; L119-I141 HydrophobicContact CG-CD1 4.07Å; L119-I141 HydrophobicContact CG-CG1 4.45Å; E122-I141 HydrophobicContact CB-CD1 4.36Å; E122-I141 HydrophobicContact CG-CD1 3.88Å; L137-I141 HydrophobicContact CB-CG1 4.47Å; L137-I141 WeakPolarHBondContact O-CG1 3.21Å; L137-I141 PolarHBondContact O-N 3.21Å; L137-I141 VanDerWaalsContact O-N 3.08Å
142Q88.2Confident78.3Confident164 Ų16480.8 Ų80.877%0.76642%0.419SS*.  trans-105.1-30.6178.9-56.8-174.29.800112.7E118 E144E118-Q142 PolarHBondContact OE1-N 3.14Å; Q142-E144 PolarHBondContact O-N 3Å
143T88.4Confident76.2Confident56 Ų5685.3 Ų85.334%0.34444%0.441SS..PPolyproline II helixtrans-69.5132.6-178.1-52.80000110.8A114 L115 E118A114-T143 HydrophobicContact CB-CG2 4.32Å; L115-T143 HydrophobicContact CB-CG2 3.83Å; E118-T143 WeakPolarHBondContact OE2-CB 3.32Å; E118-T143 PolarHBondContact OE2-N 3.32Å; E118-T143 PolarHBondContact OE2-OG1 3.02Å
144E85.4Confident74.3Confident82 Ų8290.6 Ų90.638%0.38346%0.46SS..PPolyproline II helixtrans-88.3146.8174.6-62.5-166.516500111.7Q142 S184 R185Q142-E144 PolarHBondContact O-N 3Å; E144-S184 WeakPolarHBondContact OE2-CA 3.5Å; E144-S184 WeakPolarHBondContact OE2-CB 3.01Å; E144-R185 VanDerWaalsContact OE1-CB 3.23Å; E144-R185 WeakPolarHBondContact OE1-CB 3.32Å; E144-R185 VanDerWaalsContact OE1-CG 3.22Å; E144-R185 WeakPolarHBondContact OE1-CG 3.44Å; E144-R185 PolarHBondContact OE1-N 3.26Å
145A85.6Confident72.4Confident29 Ų2995.6 Ų95.624%0.2449%0.486CS..PPolyproline II helixtrans-72.6129.118000000112.2Y100 N112 L115 V147 P180Y100-A145 WeakPolarHBondContact O-CB 3.49Å; N112-A145 WeakPolarHBondContact OD1-CA 3.49Å; L115-A145 HydrophobicContact CD2-CB 3.89Å; A145-V147 HydrophobicContact CB-CG2 4.46Å; A145-V147 PolarHBondContact O-N 3.43Å; A145-P180 HydrophobicContact CB-CB 4.43Å; A145-P180 HydrophobicContact CB-CG 4.13Å
146V84.5Confident70.6Confident80 Ų8098.4 Ų98.449%0.48550%0.503SS..  trans-83.595.9171.1-175.10000108.8R111 N112R111-V146 HydrophobicContact CB-CB 4.48Å; R111-V146 HydrophobicContact CB-CG1 4.42Å; N112-V146 PolarHBondContact ND2-O 2.66Å; N112-V146 VanDerWaalsContact ND2-O 3.11Å; N112-V146 PolarHBondContact OD1-N 3.12Å
147V77.5Confident68.5Low77 Ų7797.2 Ų97.247%0.46751%0.505SS..  trans-87.5123.3178.7-171.90000110.4A145 K149 P180A145-V147 HydrophobicContact CB-CG2 4.46Å; A145-V147 PolarHBondContact O-N 3.43Å; V147-K149 PolarHBondContact O-N 2.91Å; V147-K149 VanDerWaalsContact O-N 3.12Å; V147-P180 HydrophobicContact CG2-CG 3.48Å; V147-P180 VanDerWaalsContact CG2-CG 3.48Å
148S65.2Low66.3Low61 Ų61102.2 Ų102.243%0.42754%0.54SS..  trans-68.4108.4166.649.80000109.1R111 P150R111-S148 PolarHBondContact NH2-OG 3.15Å; S148-P150 WeakPolarHBondContact O-CD 3.2Å
149K59.1Low64.4Low186 Ų186102.3 Ų102.381%0.80955%0.553SS**  trans-71.5111.6165.2-69.8-175.5179.4-178.80107.5V147 F151V147-K149 PolarHBondContact O-N 2.91Å; V147-K149 VanDerWaalsContact O-N 3.12Å; K149-F151 PolarHBondContact O-N 2.58Å
150P52.8Low62.7Low98 Ų9899.1 Ų99.164%0.63655%0.551SS**  trans-61.2126.9167.726.3-30.8000107.2S148 S152S148-P150 WeakPolarHBondContact O-CD 3.2Å; P150-S152 PolarHBondContact O-N 3.1Å
151F43.3Very low60.4Low189 Ų189101.8 Ų101.883%0.82957%0.57SS**  trans-60.9106.7177.8-161.6-89.3000108.2K149K149-F151 PolarHBondContact O-N 2.58Å
152S44.7Very low58Low51 Ų51111.2 Ų111.236%0.35761%0.611SS.*  trans-105.1117.6177.1-166.40000107.9P150 F154 D155P150-S152 PolarHBondContact O-N 3.1Å; S152-F154 PolarHBondContact O-N 2.96Å; S152-D155 PolarHBondContact O-N 3.29Å
153L46.4Very low56Low135 Ų135107.6 Ų107.671%0.70762%0.617SS**G310 helixtrans-56.6-18.1171.5-83.1160.9000112.3L156L153-L156 HydrophobicContact CD2-CD1 4.39Å; L153-L156 PolarHBondContact O-N 3.5Å
154F48.8Very low53.5Low140 Ų140108.5 Ų108.561%0.61463%0.63SS**G310 helixtrans-75.1-22.2175.7-67.8-79.8000114S152 L156 S157S152-F154 PolarHBondContact O-N 2.96Å; F154-L156 PolarHBondContact O-N 3.32Å; F154-S157 WeakPolarHBondContact O-CB 3.36Å; F154-S157 PolarHBondContact O-N 3.49Å; F154-S157 PolarHBondContact O-OG 2.84Å
155D45Very low51.4Low117 Ų117114.2 Ų114.263%0.62666%0.657SS**G310 helixtrans-68-11.3174-92.7-9.1000112.5S152 S158S152-D155 PolarHBondContact O-N 3.29Å; D155-S158 PolarHBondContact O-OG 2.86Å
156L44.4Very low49.5Very low115 Ų115116.5 Ų116.560%0.60267%0.668SS**G310 helixtrans-83.7-14171.9-64.5174.7000112.9L153 F154 S158 V159L153-L156 HydrophobicContact CD2-CD1 4.39Å; L153-L156 PolarHBondContact O-N 3.5Å; F154-L156 PolarHBondContact O-N 3.32Å; L156-S158 PolarHBondContact O-N 3.5Å; L156-V159 PolarHBondContact O-N 3.49Å
157S43Very low47.6Very low84 Ų84121.4 Ų121.459%0.58769%0.686SS**THydrogen-bonded Turntrans-79.4-5.7179.869.70000113.6F154 V159F154-S157 WeakPolarHBondContact O-CB 3.36Å; F154-S157 PolarHBondContact O-N 3.49Å; F154-S157 PolarHBondContact O-OG 2.84Å; S157-V159 PolarHBondContact O-N 3.07Å
158S44Very low46Very low105 Ų105123.8 Ų123.873%0.73469%0.692SS**THydrogen-bonded Turntrans-75.1-1168.257.20000113.5D155 L156 G160D155-S158 PolarHBondContact O-OG 2.86Å; L156-S158 PolarHBondContact O-N 3.5Å; S158-G160 PolarHBondContact O-N 3.49Å
159V42.4Very low45.2Very low118 Ų118126.1 Ų126.172%0.71571%0.708SS**SBendtrans-79.194.9160.1-170.10000107L156 S157 L161L156-V159 PolarHBondContact O-N 3.49Å; S157-V159 PolarHBondContact O-N 3.07Å; V159-L161 PolarHBondContact O-N 2.97Å
160G49.5Very low45Very low66 Ų66125.9 Ų125.968%0.6871%0.707SS**  trans-48.8118.7-168.300000114.7S158S158-G160 PolarHBondContact O-N 3.49Å
161L39.7Very low45.3Very low169 Ų169126.4 Ų126.489%0.88571%0.708SS**  trans-100.9122.6149.8-126.886.5000107.7V159V159-L161 PolarHBondContact O-N 2.97Å
162F41Very low46.4Very low214 Ų214118.5 Ų118.594%0.93968%0.677SS**THydrogen-bonded Turntrans-37.9130.9-177.6-82.3-109.3000115.2A164F162-A164 PolarHBondContact O-N 3.01Å
163G44.7Very low47.6Very low87 Ų87119.9 Ų119.990%0.89769%0.685SS**THydrogen-bonded Turntrans84.79.1141.700000119.7
164A37.4Very low48.5Very low75 Ų75119.1 Ų119.162%0.6269%0.691SS**  trans-99.796.6172.300000111.2F162 T166F162-A164 PolarHBondContact O-N 3.01Å; A164-T166 HydrophobicContact CB-CG2 4.1Å; A164-T166 PolarHBondContact O-N 3.14Å
165E41.2Very low49.6Very low203 Ų203115.2 Ų115.295%0.94968%0.681SS**  trans-64.183.8158.3-69.9-165.216300108.4
166T46Very low50.9Low76 Ų76109.7 Ų109.747%0.46665%0.652SS.*  trans-68.5144.5176.957.90000109.2A164 Q168A164-T166 HydrophobicContact CB-CG2 4.1Å; A164-T166 PolarHBondContact O-N 3.14Å; T166-Q168 PolarHBondContact O-N 3.35Å
167Q44.1Very low52Low183 Ų183105.2 Ų105.286%0.85563%0.632SS**G310 helixtrans-58.81.4178.6-63.6-169.5-5.100114.5S169 K170Q167-S169 VanDerWaalsContact C-N 3.26Å; Q167-S169 PolarHBondContact O-N 2.7Å; Q167-K170 PolarHBondContact O-N 2.86Å
168Q44.3Very low53.5Low128 Ų128103.5 Ų103.560%0.59862%0.62SS**G310 helixtrans-69.6-16.3179.7-67.4177.1000113.7T166 K170 V171T166-Q168 PolarHBondContact O-N 3.35Å; Q168-K170 PolarHBondContact O-N 3.18Å; Q168-V171 PolarHBondContact O-N 3.39Å
169S47.6Very low55.1Low109 Ų109103 Ų10376%0.76260%0.602SS**G310 helixtrans-61.3-23.1174.4172.80000113.7Q167Q167-S169 VanDerWaalsContact C-N 3.26Å; Q167-S169 PolarHBondContact O-N 2.7Å
170K54.6Low56.7Low182 Ų18298.2 Ų98.279%0.79157%0.573SS**G310 helixtrans-94.50.6-174.7-65.6-175.1-179.9178.70115.2Q167 Q168Q167-K170 PolarHBondContact O-N 2.86Å; Q168-K170 PolarHBondContact O-N 3.18Å
171V59.5Low57.9Low109 Ų10995.1 Ų95.166%0.66154%0.541SS*.  trans-139.4122.8-175.3-171.80000110.8Q168Q168-V171 PolarHBondContact O-N 3.39Å
172A66.1Low59.5Low22 Ų2288.8 Ų88.818%0.18251%0.508CS..  trans-73.4145.2172.700000111.3A176 F195 W446A172-A176 HydrophobicContact CB-CB 4.08Å; A172-F195 HydrophobicContact CB-CE1 3.92Å; A172-W446 HydrophobicContact CB-CD2 3.66Å; A172-W446 HydrophobicContact CB-CE3 3.8Å; A172-W446 HydrophobicContact CB-CG 4.27Å; A172-W446 HydrophobicContact CB-CH2 3.95Å; A172-W446 HydrophobicContact CB-CZ2 3.8Å; A172-W446 HydrophobicContact CB-CZ3 3.95Å; A172-W446 VanDerWaalsContact N-CH2 3.35Å
173P69.3Low60.5Low80 Ų8081 Ų8152%0.51948%0.48SS..  trans-61.7148.2172.223.4-30.1000111.1S175 A176P173-S175 PolarHBondContact O-N 2.96Å; P173-S175 VanDerWaalsContact O-N 3.08Å; P173-A176 HydrophobicContact CG-CB 4.18Å; P173-A176 WeakPolarHBondContact O-CB 3.39Å; P173-A176 PolarHBondContact O-N 3.46Å
174S65.4Low61Low119 Ų11978.9 Ų78.983%0.83245%0.451SS*.THydrogen-bonded Turntrans-60.1-23.8-174.7-53.20000114.5A176S174-A176 VanDerWaalsContact C-N 3.35Å
175S72.6Confident61.8Low58 Ų5885.3 Ų85.341%0.40646%0.459SS..THydrogen-bonded Turntrans-86.91175.956.20000113.9P173 A177 S178P173-S175 PolarHBondContact O-N 2.96Å; P173-S175 VanDerWaalsContact O-N 3.08Å; S175-A177 VanDerWaalsContact C-N 3.33Å; S175-A177 PolarHBondContact O-N 2.9Å; S175-S178 WeakPolarHBondContact CA-OG 3.42Å; S175-S178 PolarHBondContact O-N 3.33Å; S175-S178 VanDerWaalsContact O-N 3.07Å; S175-S178 PolarHBondContact O-OG 2.96Å
176A72.1Confident62Low1 Ų180.4 Ų80.41%0.00845%0.447CS..G310 helixtrans-62.2-41.6-174.600000112.8A172 P173 S174 S178 R179 F195A172-A176 HydrophobicContact CB-CB 4.08Å; P173-A176 HydrophobicContact CG-CB 4.18Å; P173-A176 WeakPolarHBondContact O-CB 3.39Å; P173-A176 PolarHBondContact O-N 3.46Å; S174-A176 VanDerWaalsContact C-N 3.35Å; A176-S178 VanDerWaalsContact C-N 3.28Å; A176-S178 PolarHBondContact O-N 3.07Å; A176-R179 VanDerWaalsContact CA-CZ 3.44Å; A176-R179 VanDerWaalsContact CB-NH2 3.25Å; A176-R179 WeakPolarHBondContact O-CG 3.41Å; A176-F195 HydrophobicContact CB-CE1 3.65Å; A176-F195 HydrophobicContact CB-CZ 3.57Å
177A67.6Low62.2Low22 Ų2281.1 Ų81.118%0.18245%0.448CS..G310 helixtrans-75.8-11.7176.800000113.3S175 F195 K224S175-A177 VanDerWaalsContact C-N 3.33Å; S175-A177 PolarHBondContact O-N 2.9Å; A177-F195 HydrophobicContact CB-CB 4.24Å; A177-F195 HydrophobicContact CB-CD1 4.18Å; A177-F195 HydrophobicContact CB-CD2 4.48Å; A177-F195 HydrophobicContact CB-CG 4.04Å; A177-K224 WeakPolarHBondContact O-CD 3.44Å; A177-K224 VanDerWaalsContact O-CE 3.29Å; A177-K224 WeakPolarHBondContact O-CE 3.22Å; A177-K224 PolarHBondContact O-NZ 2.83Å
178S74.2Confident62.2Low47 Ų4781.5 Ų81.533%0.32945%0.45SS..G310 helixtrans-963.1-178.566.50000114.1G102 S103 S175 A176G102-S178 CarbonylContact C-O 3.52Å; G102-S178 WeakPolarHBondContact CA-O 3.44Å; S103-S178 PolarHBondContact N-O 2.82Å; S175-S178 WeakPolarHBondContact CA-OG 3.42Å; S175-S178 PolarHBondContact O-N 3.33Å; S175-S178 VanDerWaalsContact O-N 3.07Å; S175-S178 PolarHBondContact O-OG 2.96Å; A176-S178 VanDerWaalsContact C-N 3.28Å; A176-S178 PolarHBondContact O-N 3.07Å
179R78.4Confident62.5Low95 Ų9579.1 Ų79.136%0.35845%0.448SS..SBendtrans-70.5152.1176-56.4-179.6-154.8126.6-3111.2A176 E193 K224A176-R179 VanDerWaalsContact CA-CZ 3.44Å; A176-R179 VanDerWaalsContact CB-NH2 3.25Å; A176-R179 WeakPolarHBondContact O-CG 3.41Å; R179-E193 IonicContact NH1-OE2 3.86Å; R179-E193 PolarHBondContact NH1-OE2 2.82Å; R179-K224 PolarHBondContact O-NZ 2.9Å
180P76.1Confident63Low17 Ų1777.4 Ų77.411%0.1143%0.428CS..  trans-54.1144163.4-26.235.5000111.7D99 Y100 A145 V147 L182D99-P180 CarbonylContact O-C 3.58Å; D99-P180 VanDerWaalsContact O-CA 3.29Å; D99-P180 WeakPolarHBondContact O-CA 3.34Å; Y100-P180 WeakPolarHBondContact O-CB 3.43Å; A145-P180 HydrophobicContact CB-CB 4.43Å; A145-P180 HydrophobicContact CB-CG 4.13Å; V147-P180 HydrophobicContact CG2-CG 3.48Å; V147-P180 VanDerWaalsContact CG2-CG 3.48Å; P180-L182 VanDerWaalsContact C-N 3.34Å
181V74.8Confident63.8Low1 Ų175.1 Ų75.11%0.00642%0.418CS..SBendtrans-74.4-32.8177.8178.70000110.4D99 F226 Q283 G284D99-V181 HydrophobicContact CB-CB 4.46Å; D99-V181 HydrophobicContact CB-CG2 3.81Å; D99-V181 PolarHBondContact O-N 2.79Å; V181-F226 HydrophobicContact CG2-CE1 4.45Å; V181-Q283 HydrophobicContact CG1-CB 3.97Å; V181-Q283 VanDerWaalsContact CG1-CD 3.41Å; V181-Q283 HydrophobicContact CG1-CG 3.33Å; V181-Q283 PolarHBondContact O-NE2 3.44Å; V181-G284 VanDerWaalsContact CG2-CA 3.44Å
182L72.1Confident64.8Low37 Ų3771.8 Ų71.819%0.19440%0.396CS..SBendtrans-90116.8174-56.7-177.4000109.1Y100 R138 P180Y100-L182 HydrophobicContact CD1-CD1 3.61Å; Y100-L182 HydrophobicContact CE1-CD1 3.13Å; Y100-L182 HydrophobicContact CE1-CG 4.36Å; Y100-L182 HydrophobicContact CE2-CD1 4.49Å; Y100-L182 HydrophobicContact CG-CD1 4.46Å; R138-L182 HydrophobicContact CG-CD1 4.22Å; R138-L182 HydrophobicContact CG-CD2 3.83Å; P180-L182 VanDerWaalsContact C-N 3.34Å
183S62.1Low65.8Low50 Ų5071.6 Ų71.635%0.3539%0.391SS..PPolyproline II helixtrans-78151.4168.862.50000109.9R185 Q190S183-R185 PolarHBondContact O-N 2.84Å; S183-Q190 PolarHBondContact OG-NE2 2.79Å
184S55.6Low66.8Low42 Ų4267.8 Ų67.829%0.29437%0.367SS..PPolyproline II helixtrans-50.8139.8166.155.50000109.6E144 S186 D187E144-S184 WeakPolarHBondContact OE2-CA 3.5Å; E144-S184 WeakPolarHBondContact OE2-CB 3.01Å; S184-S186 PolarHBondContact O-N 2.78Å; S184-S186 PolarHBondContact OG-OG 2.97Å; S184-D187 PolarHBondContact O-N 2.8Å
185R53.4Low68.2Low210 Ų21062.7 Ų62.779%0.79233%0.33SS*.THydrogen-bonded Turntrans-57.9-15.8-178.3-69.5172.9165.6-145.7-1.2113.3E144 S183E144-R185 VanDerWaalsContact OE1-CB 3.23Å; E144-R185 WeakPolarHBondContact OE1-CB 3.32Å; E144-R185 VanDerWaalsContact OE1-CG 3.22Å; E144-R185 WeakPolarHBondContact OE1-CG 3.44Å; E144-R185 PolarHBondContact OE1-N 3.26Å; S183-R185 PolarHBondContact O-N 2.84Å
186S46.7Very low69.2Low100 Ų10059.9 Ų59.970%0.69931%0.31SS*.THydrogen-bonded Turntrans-80.8-15.6175.5570000115.5S184 Q188S184-S186 PolarHBondContact O-N 2.78Å; S184-S186 PolarHBondContact OG-OG 2.97Å; S186-Q188 PolarHBondContact O-N 2.76Å
187D50.6Low70.3Confident91 Ų9161 Ų6149%0.48732%0.316SS..  trans-98.887.2-174.7-151.9-6.4000110.3S184 S189S184-D187 PolarHBondContact O-N 2.8Å; D187-S189 PolarHBondContact O-N 3.23Å; D187-S189 VanDerWaalsContact O-N 3.13Å
188Q43Very low71.7Confident192 Ų19260 Ų6090%0.89731%0.307SS*.  trans-734.9-173.3-68.9-171.33.400114.6S186S186-Q188 PolarHBondContact O-N 2.76Å
189S51.7Low72.8Confident78 Ų7858.5 Ų58.555%0.54530%0.297SS..  trans-107.571.1174.781.70000111.8D187 K191D187-S189 PolarHBondContact O-N 3.23Å; D187-S189 VanDerWaalsContact O-N 3.13Å; S189-K191 VanDerWaalsContact C-N 3.32Å; S189-K191 PolarHBondContact O-N 2.94Å
190Q58.3Low73.6Confident73 Ų7354 Ų5434%0.34128%0.28SS..  trans-61.298.1163.9-78.2-97.6-40.600108.1S183 N192S183-Q190 PolarHBondContact OG-NE2 2.79Å; Q190-N192 PolarHBondContact O-N 2.88Å
191K70.8Confident74.5Confident134 Ų13457.6 Ų57.658%0.58329%0.291SS*.  trans-69.8114.2170.4-67-174.9-178.7-179.90106.9S189 E193S189-K191 VanDerWaalsContact C-N 3.32Å; S189-K191 PolarHBondContact O-N 2.94Å; K191-E193 HydrophobicContact CB-CG 3.77Å; K191-E193 PolarHBondContact O-N 2.83Å
192N80.6Confident75.5Confident38 Ų3857.6 Ų57.620%0.20329%0.291CS..  trans-69.294.8174.5-67-34.2000108.2Q190 L227 P443 H444Q190-N192 PolarHBondContact O-N 2.88Å; N192-L227 HydrophobicContact CB-CD2 3.69Å; N192-P443 HydrophobicContact CB-CB 3.84Å; N192-P443 CarbonylContact O-C 3.53Å; N192-P443 WeakPolarHBondContact O-CA 3.43Å; N192-P443 VanDerWaalsContact O-CB 3.24Å; N192-P443 WeakPolarHBondContact O-CB 3.33Å; N192-H444 PolarHBondContact O-N 3.32Å
193E87.3Confident76.6Confident18 Ų1856.8 Ų56.88%0.08429%0.289CS..EExtended strand (participates in β ladder)trans-124.1146.9-177.8-51.2-171.1153.800110.6R179 K191 F195 F226 H444R179-E193 IonicContact NH1-OE2 3.86Å; R179-E193 PolarHBondContact NH1-OE2 2.82Å; K191-E193 HydrophobicContact CB-CG 3.77Å; K191-E193 PolarHBondContact O-N 2.83Å; E193-F195 HydrophobicContact CB-CE2 3.79Å; E193-F195 HydrophobicContact CB-CZ 4.26Å; E193-F195 WeakPolarHBondContact OE2-CZ 3.43Å; E193-F226 HydrophobicContact CB-CD2 4.45Å; E193-F226 WeakPolarHBondContact O-CB 3.32Å; E193-F226 PolarHBondContact O-N 2.79Å; E193-H444 CarbonylContact C-O 3.6Å; E193-H444 WeakPolarHBondContact CA-O 3.35Å; E193-H444 HydrophobicContact CG-CB 4.11Å
194V90.3Very high78.2Confident1 Ų154.7 Ų54.71%0.00627%0.273CS..EExtended strand (participates in β ladder)trans-130.5130.2173.4-179.50000108.9L223 L227 M233 L431 L433 H444 W446V194-L223 HydrophobicContact CG1-CD1 3.3Å; V194-L223 HydrophobicContact CG1-CG 4.47Å; V194-L227 HydrophobicContact CG2-CD1 3.42Å; V194-L227 VanDerWaalsContact CG2-CD1 3.42Å; V194-L227 HydrophobicContact CG2-CD2 4.06Å; V194-L227 HydrophobicContact CG2-CG 3.54Å; V194-M233 HydrophobicContact CG1-SD 4.22Å; V194-L431 HydrophobicContact CB-CD2 4.4Å; V194-L431 HydrophobicContact CG1-CD2 3.96Å; V194-L433 HydrophobicContact CG2-CD1 4.38Å; V194-H444 PolarHBondContact N-O 3.09Å; V194-W446 PolarHBondContact O-N 2.86Å
195F93.1Very high80.1Confident11 Ų1154.9 Ų54.95%0.04827%0.271CS..EExtended strand (participates in β ladder)trans-112.4127.3175.9-60.6-94.2000109.1A172 A176 A177 E193 L223 K224 F226 W446A172-F195 HydrophobicContact CB-CE1 3.92Å; A176-F195 HydrophobicContact CB-CE1 3.65Å; A176-F195 HydrophobicContact CB-CZ 3.57Å; A177-F195 HydrophobicContact CB-CB 4.24Å; A177-F195 HydrophobicContact CB-CD1 4.18Å; A177-F195 HydrophobicContact CB-CD2 4.48Å; A177-F195 HydrophobicContact CB-CG 4.04Å; E193-F195 HydrophobicContact CB-CE2 3.79Å; E193-F195 HydrophobicContact CB-CZ 4.26Å; E193-F195 WeakPolarHBondContact OE2-CZ 3.43Å; F195-L223 CarbonylContact O-C 3.54Å; F195-L223 WeakPolarHBondContact O-CA 3.18Å; F195-K224 HydrophobicContact CB-CB 4.36Å; F195-K224 PolarHBondContact N-O 2.79Å; F195-K224 PolarHBondContact O-N 3.06Å; F195-F226 AromaticContact CD2-CD2 3.92Å; F195-F226 HydrophobicContact CD2-CD2 3.92Å; F195-F226 AromaticContact CD2-CE2 3.55Å; F195-F226 HydrophobicContact CD2-CE2 3.55Å; F195-F226 AromaticContact CE2-CD2 3.81Å; F195-F226 HydrophobicContact CE2-CD2 3.81Å; F195-F226 AromaticContact CE2-CE2 3.5Å; F195-F226 HydrophobicContact CE2-CE2 3.5Å; F195-F226 VanDerWaalsContact CE2-CE2 3.5Å; F195-W446 HydrophobicContact CD1-CB 3.55Å; F195-W446 AromaticContact CD1-CD1 3.62Å; F195-W446 AromaticContact CD1-CG 3.74Å; F195-W446 HydrophobicContact CD1-CG 3.74Å; F195-W446 HydrophobicContact CE1-CB 3.91Å; F195-W446 AromaticContact CE1-CD1 3.2Å; F195-W446 HydrophobicContact CE1-CD2 4.34Å; F195-W446 AromaticContact CE1-CG 3.55Å; F195-W446 HydrophobicContact CE1-CG 3.55Å; F195-W446 AromaticContact CE1-NE1 3.8Å; F195-W446 HydrophobicContact CG-CB 4.28Å; F195-W446 AromaticContact CZ-CD1 3.47Å; F195-W446 VanDerWaalsContact CZ-CD1 3.47Å; F195-W446 HydrophobicContact CZ-CG 4.26Å; F195-W446 AromaticContact CZ-NE1 3.8Å
196L95.3Very high82.1Confident0 Ų045.6 Ų45.60%024%0.237CC..EExtended strand (participates in β ladder)trans-121.6113.8176.7-169.874.7000108.5I221 R222 L223 I235 V428 L431 W446 V447 R448L196-I221 HydrophobicContact CD1-CG2 3.54Å; L196-I221 HydrophobicContact CG-CG2 4.1Å; L196-R222 CarbonylContact C-O 3.53Å; L196-R222 WeakPolarHBondContact CA-O 3.36Å; L196-L223 HydrophobicContact CD1-CB 4.21Å; L196-L223 HydrophobicContact CD1-CD1 3.92Å; L196-I235 HydrophobicContact CD1-CD1 3.95Å; L196-I235 HydrophobicContact CD2-CG2 3.98Å; L196-V428 HydrophobicContact CD2-CB 4.31Å; L196-V428 HydrophobicContact CD2-CG1 3.81Å; L196-V428 HydrophobicContact CD2-CG2 3.73Å; L196-L431 HydrophobicContact CD2-CD1 4.49Å; L196-W446 PolarHBondContact N-O 2.82Å; L196-V447 HydrophobicContact CB-CG2 4.35Å; L196-V447 HydrophobicContact CD2-CG2 4.43Å; L196-V447 CarbonylContact O-C 3.59Å; L196-V447 VanDerWaalsContact O-CA 3.28Å; L196-V447 WeakPolarHBondContact O-CA 3.44Å; L196-R448 PolarHBondContact O-N 2.79Å
197D95.1Very high84.3Confident24 Ų2441.4 Ų41.413%0.12821%0.208CC..EExtended strand (participates in β ladder)trans-107.1122.2178.6-69.1-32.8000109.6V199 I221 R222 R448D197-V199 HydrophobicContact CB-CG2 3.97Å; D197-I221 CarbonylContact O-C 3.48Å; D197-I221 WeakPolarHBondContact O-CA 3.07Å; D197-R222 HydrophobicContact CB-CB 4.36Å; D197-R222 PolarHBondContact N-O 3.48Å; D197-R222 PolarHBondContact O-N 3.11Å; D197-R448 CarbonylContact C-O 3.59Å; D197-R448 WeakPolarHBondContact CA-O 3.35Å; D197-R448 VanDerWaalsContact CG-NH2 3.26Å; D197-R448 WeakPolarHBondContact OD1-CB 3.37Å; D197-R448 IonicContact OD1-CZ 3.12Å; D197-R448 IonicContact OD1-NE 3.42Å; D197-R448 PolarHBondContact OD1-NE 3.5Å; D197-R448 IonicContact OD1-NH2 3.28Å; D197-R448 PolarHBondContact OD1-NH2 3.32Å; D197-R448 IonicContact OD2-CZ 3.62Å; D197-R448 IonicContact OD2-NE 3.52Å; D197-R448 IonicContact OD2-NH2 3.88Å; D197-R448 PolarHBondContact OD2-NH2 2.81Å
198V96.6Very high86.1Confident0 Ų041 Ų410%021%0.213CC..EExtended strand (participates in β ladder)trans-96107.9165.1-175.30000106.7I221 T422 L426 V428 R448 H449 L450V198-I221 HydrophobicContact CG2-CG1 4.47Å; V198-T422 HydrophobicContact CG1-CG2 3.91Å; V198-L426 HydrophobicContact CG1-CD2 4.23Å; V198-V428 HydrophobicContact CG2-CG2 3.75Å; V198-R448 PolarHBondContact N-O 3.23Å; V198-H449 WeakPolarHBondContact O-CA 3.5Å; V198-L450 PolarHBondContact O-N 2.85Å
199V96.1Very high88.3Confident17 Ų1737.9 Ų37.910%0.10320%0.202CC..EExtended strand (participates in β ladder)trans-113.9125.1-175.4-176.60000109.4D197 G219 E220 L450D197-V199 HydrophobicContact CB-CG2 3.97Å; V199-G219 CarbonylContact O-C 3.57Å; V199-G219 WeakPolarHBondContact O-CA 3.09Å; V199-E220 PolarHBondContact N-O 2.87Å; V199-E220 PolarHBondContact O-N 3.03Å; V199-L450 CarbonylContact C-O 3.57Å; V199-L450 VanDerWaalsContact CA-O 3.28Å; V199-L450 WeakPolarHBondContact CA-O 3.39Å
200E95.9Very high89.9Confident1 Ų136.8 Ų36.81%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-120137.7178.2-67.7-173.6160.200112.2V217 Q218 Y291 T422 C423 S424 L450 S451 H452E200-V217 HydrophobicContact CB-CG1 4.02Å; E200-V217 HydrophobicContact CG-CG1 4.1Å; E200-Q218 CarbonylContact C-O 3.57Å; E200-Q218 WeakPolarHBondContact CA-O 3.46Å; E200-Y291 VanDerWaalsContact CG-OH 3.3Å; E200-Y291 WeakPolarHBondContact CG-OH 3.39Å; E200-Y291 PolarHBondContact OE1-OH 3.19Å; E200-T422 VanDerWaalsContact OE2-CA 3.29Å; E200-T422 WeakPolarHBondContact OE2-CA 2.78Å; E200-T422 WeakPolarHBondContact OE2-CB 3.49Å; E200-C423 PolarHBondContact OE2-N 3.42Å; E200-S424 WeakPolarHBondContact OE1-CB 3.42Å; E200-S424 PolarHBondContact OE1-OG 3.23Å; E200-S424 PolarHBondContact OE2-N 3.12Å; E200-L450 PolarHBondContact N-O 3.03Å; E200-S451 CarbonylContact O-C 3.56Å; E200-S451 VanDerWaalsContact O-CA 3.3Å; E200-S451 WeakPolarHBondContact O-CA 3.49Å; E200-S451 PolarHBondContact OE2-OG 2.94Å; E200-H452 PolarHBondContact O-N 3.33Å; E200-H452 PolarHBondContact O-ND1 2.9Å
201R95.8Very high91.5Very high91 Ų9135.6 Ų35.634%0.34320%0.203SC..EExtended strand (participates in β ladder)trans-110.2119.7175.5-47.4-153.8163.1-125.5-3108.8V217 Q218 H452 D454R201-V217 WeakPolarHBondContact O-CA 3.45Å; R201-Q218 HydrophobicContact CB-CB 4.35Å; R201-Q218 PolarHBondContact N-O 2.97Å; R201-Q218 PolarHBondContact O-N 2.99Å; R201-H452 WeakPolarHBondContact CA-O 3.48Å; R201-H452 WeakPolarHBondContact CD-NE2 3.36Å; R201-H452 VanDerWaalsContact CG-NE2 3.31Å; R201-H452 WeakPolarHBondContact CG-NE2 3.48Å; R201-H452 PolarHBondContact NE-NE2 3.41Å; R201-H452 PolarHBondContact NH1-NE2 2.95Å; R201-H452 VanDerWaalsContact NH1-NE2 3.17Å; R201-D454 HydrophobicContact CB-CB 4.14Å; R201-D454 IonicContact NH1-OD1 2.67Å
202L95.3Very high92.5Very high1 Ų132.9 Ų32.91%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-100.7122.8-178.6-175.866.8000111V204 V215 V217 L297 L301 P302 F416 H452 D454 A455 Y456L202-V204 HydrophobicContact CD1-CG2 3.58Å; L202-V204 HydrophobicContact CD2-CG2 3.89Å; L202-V204 HydrophobicContact CG-CG2 3.54Å; L202-V215 HydrophobicContact CD1-CG2 3.84Å; L202-V217 HydrophobicContact CD1-CG2 3.42Å; L202-V217 VanDerWaalsContact CD1-CG2 3.42Å; L202-L297 HydrophobicContact CD1-CD1 4.48Å; L202-L301 HydrophobicContact CD2-CD2 4.34Å; L202-P302 HydrophobicContact CD2-CG 4Å; L202-F416 HydrophobicContact CD2-CZ 4.15Å; L202-H452 PolarHBondContact N-O 2.86Å; L202-D454 PolarHBondContact O-N 3.35Å; L202-A455 PolarHBondContact O-N 3.36Å; L202-Y456 HydrophobicContact CD2-CD2 3.99Å; L202-Y456 HydrophobicContact CD2-CE2 3.96Å; L202-Y456 HydrophobicContact CG-CD2 4.49Å
203S95.6Very high93Very high21 Ų2135 Ų3515%0.14721%0.206CC..EExtended strand (participates in β ladder)trans-116.4111.2174.1-78.60000109.7V215 D216 A455S203-V215 CarbonylContact O-C 3.54Å; S203-V215 WeakPolarHBondContact O-CA 3.44Å; S203-D216 PolarHBondContact N-O 2.99Å; S203-D216 PolarHBondContact O-N 3.17Å; S203-A455 CarbonylContact C-O 3.58Å; S203-A455 WeakPolarHBondContact CA-O 3.38Å
204V95.3Very high93.3Very high5 Ų539.6 Ų39.63%0.0323%0.225CC..EExtended strand (participates in β ladder)trans-132.9134.8-170.4167.20000110.2L202 I206 L212 K214 V215 L301 A455 Y456 V457L202-V204 HydrophobicContact CD1-CG2 3.58Å; L202-V204 HydrophobicContact CD2-CG2 3.89Å; L202-V204 HydrophobicContact CG-CG2 3.54Å; V204-I206 HydrophobicContact CG1-CD1 3.87Å; V204-I206 HydrophobicContact CG1-CG1 3.7Å; V204-L212 HydrophobicContact CG1-CD1 3.95Å; V204-K214 WeakPolarHBondContact CA-O 3.43Å; V204-V215 HydrophobicContact CG2-CB 4.23Å; V204-V215 HydrophobicContact CG2-CG2 3.65Å; V204-L301 HydrophobicContact CG1-CD1 3.94Å; V204-L301 HydrophobicContact CG1-CD2 4.35Å; V204-L301 HydrophobicContact CG2-CD2 3.63Å; V204-A455 PolarHBondContact N-O 3Å; V204-A455 VanDerWaalsContact O-O 3.09Å; V204-Y456 HydrophobicContact CB-CD2 3.65Å; V204-Y456 HydrophobicContact CB-CE2 3.75Å; V204-Y456 HydrophobicContact CB-CG 4.27Å; V204-Y456 HydrophobicContact CG1-CD2 4.08Å; V204-Y456 HydrophobicContact CG1-CE2 3.74Å; V204-Y456 HydrophobicContact CG2-CD2 4.01Å; V204-Y456 HydrophobicContact CG2-CE2 3.9Å; V204-V457 PolarHBondContact O-N 3.37Å
205L95.2Very high93.4Very high46 Ų4639.6 Ų39.624%0.24123%0.226CC..EExtended strand (participates in β ladder)trans-122.6119.6170.7-17864.3000109.9L213 K214 V457L205-L213 HydrophobicContact CB-CB 4.36Å; L205-L213 HydrophobicContact CD2-CB 4.12Å; L205-L213 HydrophobicContact CD2-CD1 3.99Å; L205-L213 HydrophobicContact CG-CB 4.1Å; L205-L213 HydrophobicContact CG-CD1 4.06Å; L205-L213 WeakPolarHBondContact O-CA 3.29Å; L205-L213 WeakPolarHBondContact O-CB 3.32Å; L205-L213 PolarHBondContact O-N 2.89Å; L205-K214 HydrophobicContact CB-CB 4.07Å; L205-K214 PolarHBondContact N-O 3.03Å; L205-K214 PolarHBondContact O-N 3.06Å; L205-V457 CarbonylContact C-O 3.56Å; L205-V457 WeakPolarHBondContact CA-O 3.4Å; L205-V457 HydrophobicContact CD1-CB 3.97Å; L205-V457 HydrophobicContact CD1-CG1 3.93Å
206I94.7Very high93.5Very high15 Ų1539.5 Ų39.58%0.07723%0.225CC..EExtended strand (participates in β ladder)trans-111.4132.7178.6-61.5166.6000108.8V204 L212 L301 Y456 V457 I458 R459V204-I206 HydrophobicContact CG1-CD1 3.87Å; V204-I206 HydrophobicContact CG1-CG1 3.7Å; I206-L212 HydrophobicContact CG1-CD1 4.21Å; I206-L301 HydrophobicContact CD1-CD1 4.11Å; I206-L301 HydrophobicContact CG1-CD1 4.46Å; I206-Y456 HydrophobicContact CD1-CE1 3.99Å; I206-Y456 WeakPolarHBondContact CD1-OH 3.44Å; I206-V457 PolarHBondContact N-O 3.35Å; I206-I458 HydrophobicContact CB-CB 4.48Å; I206-I458 HydrophobicContact CB-CG1 4.09Å; I206-I458 HydrophobicContact CB-CG2 4.43Å; I206-I458 HydrophobicContact CD1-CG1 3.86Å; I206-I458 HydrophobicContact CG1-CG1 4.45Å; I206-I458 HydrophobicContact CG2-CG2 4.39Å; I206-R459 PolarHBondContact O-N 3.45Å
207A93.3Very high93.5Very high12 Ų1239.5 Ų39.510%0.09923%0.225CC..  trans-72.8163.7174.600000112.1N209 G210 S211 L213A207-N209 WeakPolarHBondContact CB-OD1 2.98Å; A207-N209 PolarHBondContact O-N 2.89Å; A207-G210 WeakPolarHBondContact O-CA 3.22Å; A207-G210 PolarHBondContact O-N 2.74Å; A207-S211 WeakPolarHBondContact CB-OG 3.44Å; A207-S211 PolarHBondContact N-O 3.02Å; A207-L213 HydrophobicContact CB-CD1 3.82Å; A207-L213 HydrophobicContact CB-CD2 3.99Å; A207-L213 HydrophobicContact CB-CG 3.77Å
208S88.8Confident93.5Very high84 Ų8442.3 Ų42.359%0.58724%0.238SC*.THydrogen-bonded Turntrans-64.8-22.8179.652.20000114.1G210 R459S208-G210 PolarHBondContact O-N 2.68Å; S208-R459 VanDerWaalsContact CA-O 3.28Å; S208-R459 WeakPolarHBondContact CA-O 3.25Å
209N88.9Confident93.5Very high125 Ų12542.4 Ų42.467%0.66824%0.239SC*.THydrogen-bonded Turntrans-80.91.7171.369-6.2000113.4A207 S211A207-N209 WeakPolarHBondContact CB-OD1 2.98Å; A207-N209 PolarHBondContact O-N 2.89Å; N209-S211 VanDerWaalsContact C-N 3.34Å; N209-S211 PolarHBondContact ND2-OG 3.21Å; N209-S211 VanDerWaalsContact OD1-CB 3.3Å; N209-S211 WeakPolarHBondContact OD1-CB 3.35Å; N209-S211 PolarHBondContact OD1-N 3.04Å; N209-S211 PolarHBondContact OD1-OG 3.32Å
210G86.6Confident93.5Very high56 Ų5643.3 Ų43.358%0.57724%0.242SC*.SBendtrans81.92.2-177.100000115.2A207 S208A207-G210 WeakPolarHBondContact O-CA 3.22Å; A207-G210 PolarHBondContact O-N 2.74Å; S208-G210 PolarHBondContact O-N 2.68Å
211S91.2Very high93.6Very high48 Ų4843.3 Ų43.334%0.33624%0.242SC..  trans-73.6143.7174.564.30000111.7A207 N209 L213A207-S211 WeakPolarHBondContact CB-OG 3.44Å; A207-S211 PolarHBondContact N-O 3.02Å; N209-S211 VanDerWaalsContact C-N 3.34Å; N209-S211 PolarHBondContact ND2-OG 3.21Å; N209-S211 VanDerWaalsContact OD1-CB 3.3Å; N209-S211 WeakPolarHBondContact OD1-CB 3.35Å; N209-S211 PolarHBondContact OD1-N 3.04Å; N209-S211 PolarHBondContact OD1-OG 3.32Å; S211-L213 PolarHBondContact O-N 3.22Å
212L91.1Very high93.5Very high77 Ų7742.4 Ų42.440%0.40324%0.238SC..EExtended strand (participates in β ladder)trans-76.6120.2175.9-175.357000109.4V204 I206 K214 V215 L301V204-L212 HydrophobicContact CG1-CD1 3.95Å; I206-L212 HydrophobicContact CG1-CD1 4.21Å; L212-K214 WeakPolarHBondContact CD1-O 3.4Å; L212-V215 HydrophobicContact CD1-CB 4.27Å; L212-V215 HydrophobicContact CD2-CB 4.07Å; L212-V215 HydrophobicContact CD2-CG1 3.8Å; L212-V215 HydrophobicContact CG-CB 4.49Å; L212-L301 HydrophobicContact CD1-CD1 3.73Å; L212-L301 HydrophobicContact CD2-CD1 4.28Å
213L92.8Very high93.5Very high82 Ų8242.5 Ų42.543%0.42924%0.239SC..EExtended strand (participates in β ladder)trans-94.4-37.9177.6-64.9179.6000112.5L205 A207 S211L205-L213 HydrophobicContact CB-CB 4.36Å; L205-L213 HydrophobicContact CD2-CB 4.12Å; L205-L213 HydrophobicContact CD2-CD1 3.99Å; L205-L213 HydrophobicContact CG-CB 4.1Å; L205-L213 HydrophobicContact CG-CD1 4.06Å; L205-L213 WeakPolarHBondContact O-CA 3.29Å; L205-L213 WeakPolarHBondContact O-CB 3.32Å; L205-L213 PolarHBondContact O-N 2.89Å; A207-L213 HydrophobicContact CB-CD1 3.82Å; A207-L213 HydrophobicContact CB-CD2 3.99Å; A207-L213 HydrophobicContact CB-CG 3.77Å; S211-L213 PolarHBondContact O-N 3.22Å
214K92.7Very high93.3Very high114 Ų11442 Ų4250%0.49623%0.234SC..EExtended strand (participates in β ladder)trans-149.9138.7177.9-176175.9179.7179.30109.4V204 L205 L212V204-K214 WeakPolarHBondContact CA-O 3.43Å; L205-K214 HydrophobicContact CB-CB 4.07Å; L205-K214 PolarHBondContact N-O 3.03Å; L205-K214 PolarHBondContact O-N 3.06Å; L212-K214 WeakPolarHBondContact CD1-O 3.4Å
215V93.1Very high93Very high2 Ų241.9 Ų41.91%0.01223%0.233CC..EExtended strand (participates in β ladder)trans-136.4132.4162.361.20000110.2L202 S203 V204 L212 S294 D295 L297 L301L202-V215 HydrophobicContact CD1-CG2 3.84Å; S203-V215 CarbonylContact O-C 3.54Å; S203-V215 WeakPolarHBondContact O-CA 3.44Å; V204-V215 HydrophobicContact CG2-CB 4.23Å; V204-V215 HydrophobicContact CG2-CG2 3.65Å; L212-V215 HydrophobicContact CD1-CB 4.27Å; L212-V215 HydrophobicContact CD2-CB 4.07Å; L212-V215 HydrophobicContact CD2-CG1 3.8Å; L212-V215 HydrophobicContact CG-CB 4.49Å; V215-S294 WeakPolarHBondContact O-CA 3.39Å; V215-D295 PolarHBondContact O-N 3.22Å; V215-L297 HydrophobicContact CB-CD1 4.33Å; V215-L297 HydrophobicContact CG1-CD1 4.34Å; V215-L297 HydrophobicContact CG1-CG 4.24Å; V215-L297 HydrophobicContact CG2-CD1 3.33Å; V215-L297 HydrophobicContact CG2-CG 3.79Å; V215-L301 HydrophobicContact CG2-CD2 4.24Å
216D94.5Very high92.6Very high8 Ų840.4 Ų40.44%0.04323%0.225CC..EExtended strand (participates in β ladder)trans-136.8130.2175.9-175.248000108.4S203 Q218 Q292 L293 S294S203-D216 PolarHBondContact N-O 2.99Å; S203-D216 PolarHBondContact O-N 3.17Å; D216-Q218 PolarHBondContact OD2-NE2 2.98Å; D216-Q292 VanDerWaalsContact OD1-CG 3.31Å; D216-Q292 WeakPolarHBondContact OD1-CG 3.47Å; D216-Q292 PolarHBondContact OD1-NE2 2.65Å; D216-Q292 PolarHBondContact OD2-NE2 2.94Å; D216-L293 CarbonylContact C-O 3.47Å; D216-L293 WeakPolarHBondContact CA-O 3.4Å; D216-S294 PolarHBondContact OD1-OG 2.99Å; D216-S294 VanDerWaalsContact OD1-OG 3.07Å
217V95Very high92Very high0 Ų039.9 Ų39.90%022%0.222CC..EExtended strand (participates in β ladder)trans-118118.9173176.80000108.3E200 R201 L202 Q292 L293 L297 C423E200-V217 HydrophobicContact CB-CG1 4.02Å; E200-V217 HydrophobicContact CG-CG1 4.1Å; R201-V217 WeakPolarHBondContact O-CA 3.45Å; L202-V217 HydrophobicContact CD1-CG2 3.42Å; L202-V217 VanDerWaalsContact CD1-CG2 3.42Å; V217-Q292 WeakPolarHBondContact O-CA 3.48Å; V217-L293 HydrophobicContact CB-CB 4.24Å; V217-L293 HydrophobicContact CB-CD2 4.37Å; V217-L293 HydrophobicContact CG2-CD2 4.43Å; V217-L293 PolarHBondContact N-O 3.17Å; V217-L293 PolarHBondContact O-N 2.83Å; V217-L297 HydrophobicContact CG2-CD2 3.78Å; V217-C423 HydrophobicContact CG2-CB 4.23Å
218Q96Very high91.1Very high83 Ų8342.5 Ų42.539%0.38824%0.238SC..EExtended strand (participates in β ladder)trans-103.7113171.7-64.4176.59.200108.6E200 R201 D216 Q292E200-Q218 CarbonylContact C-O 3.57Å; E200-Q218 WeakPolarHBondContact CA-O 3.46Å; R201-Q218 HydrophobicContact CB-CB 4.35Å; R201-Q218 PolarHBondContact N-O 2.97Å; R201-Q218 PolarHBondContact O-N 2.99Å; D216-Q218 PolarHBondContact OD2-NE2 2.98Å; Q218-Q292 HydrophobicContact CG-CG 4.4Å
219G95.7Very high90.2Very high2 Ų242 Ų422%0.02124%0.235CC..EExtended strand (participates in β ladder)trans-110.2144.7-178.600000112.7V199 R290 Y291V199-G219 CarbonylContact O-C 3.57Å; V199-G219 WeakPolarHBondContact O-CA 3.09Å; G219-R290 CarbonylContact O-C 3.56Å; G219-R290 VanDerWaalsContact O-CA 3.3Å; G219-R290 WeakPolarHBondContact O-CA 3.44Å; G219-Y291 VanDerWaalsContact CA-CZ 3.49Å; G219-Y291 PolarHBondContact N-O 3Å; G219-Y291 WeakPolarHBondContact O-CD1 3.33Å; G219-Y291 PolarHBondContact O-N 3.36Å
220E96.8Very high89.4Confident37 Ų3738.4 Ų38.417%0.17323%0.227CC..EExtended strand (participates in β ladder)trans-134137.1174.3-56.6-171142.900110.1V199 R222 T287 M289 R290V199-E220 PolarHBondContact N-O 2.87Å; V199-E220 PolarHBondContact O-N 3.03Å; E220-R222 HydrophobicContact CB-CG 4.35Å; E220-R222 IonicContact OE2-CZ 2.97Å; E220-R222 IonicContact OE2-NE 3.2Å; E220-R222 PolarHBondContact OE2-NE 3.2Å; E220-R222 IonicContact OE2-NH2 2.79Å; E220-R222 PolarHBondContact OE2-NH2 2.73Å; E220-T287 HydrophobicContact CB-CG2 4.38Å; E220-M289 WeakPolarHBondContact CA-O 3.2Å; E220-R290 HydrophobicContact CG-CB 4.44Å; E220-R290 HydrophobicContact CG-CG 3.99Å; E220-R290 WeakPolarHBondContact OE1-CD 3.47Å; E220-R290 IonicContact OE1-CZ 2.69Å; E220-R290 IonicContact OE1-NE 3.52Å; E220-R290 PolarHBondContact OE1-NE 3.07Å; E220-R290 IonicContact OE1-NH2 3.86Å
221I96.9Very high89.2Confident0 Ų036.1 Ų36.10%020%0.202CC..EExtended strand (participates in β ladder)trans-99.3107.9167.1-56-176.8000107.5L196 D197 V198 L237 V288 M289 Y291 L426L196-I221 HydrophobicContact CD1-CG2 3.54Å; L196-I221 HydrophobicContact CG-CG2 4.1Å; D197-I221 CarbonylContact O-C 3.48Å; D197-I221 WeakPolarHBondContact O-CA 3.07Å; V198-I221 HydrophobicContact CG2-CG1 4.47Å; I221-L237 HydrophobicContact CD1-CD1 4.4Å; I221-L237 HydrophobicContact CD1-CD2 3.74Å; I221-V288 HydrophobicContact CG2-CB 4.38Å; I221-V288 PolarHBondContact O-N 2.88Å; I221-M289 HydrophobicContact CB-CB 4.32Å; I221-M289 HydrophobicContact CD1-CB 4.3Å; I221-M289 HydrophobicContact CD1-CE 4.14Å; I221-M289 HydrophobicContact CD1-SD 4.11Å; I221-M289 HydrophobicContact CG1-CB 4.4Å; I221-M289 PolarHBondContact N-O 3.18Å; I221-Y291 HydrophobicContact CG1-CE1 4.42Å; I221-L426 HydrophobicContact CD1-CD2 4.16Å; I221-L426 HydrophobicContact CG1-CD2 4.45Å
222R95.3Very high89.1Confident73 Ų7335.2 Ų35.228%0.27519%0.193SC..EExtended strand (participates in β ladder)trans-103.2131.6177.9-59.5-177.2-176.9-166.2-0.8110L196 D197 E220 E285L196-R222 CarbonylContact C-O 3.53Å; L196-R222 WeakPolarHBondContact CA-O 3.36Å; D197-R222 HydrophobicContact CB-CB 4.36Å; D197-R222 PolarHBondContact N-O 3.48Å; D197-R222 PolarHBondContact O-N 3.11Å; E220-R222 HydrophobicContact CB-CG 4.35Å; E220-R222 IonicContact OE2-CZ 2.97Å; E220-R222 IonicContact OE2-NE 3.2Å; E220-R222 PolarHBondContact OE2-NE 3.2Å; E220-R222 IonicContact OE2-NH2 2.79Å; E220-R222 PolarHBondContact OE2-NH2 2.73Å; R222-E285 IonicContact NH1-OE1 2.79Å
223L94Very high89.1Confident2 Ų231.6 Ų31.61%0.0117%0.174CC..EExtended strand (participates in β ladder)trans-113.3133178176.975.2000108.3V194 F195 L196 M233 L279 P281 E285 L286 V288V194-L223 HydrophobicContact CG1-CD1 3.3Å; V194-L223 HydrophobicContact CG1-CG 4.47Å; F195-L223 CarbonylContact O-C 3.54Å; F195-L223 WeakPolarHBondContact O-CA 3.18Å; L196-L223 HydrophobicContact CD1-CB 4.21Å; L196-L223 HydrophobicContact CD1-CD1 3.92Å; L223-M233 HydrophobicContact CD1-CE 3.69Å; L223-M233 HydrophobicContact CD1-SD 3.96Å; L223-M233 HydrophobicContact CD2-CE 3.35Å; L223-M233 HydrophobicContact CD2-SD 4.34Å; L223-M233 HydrophobicContact CG-CE 4.16Å; L223-L279 HydrophobicContact CD2-CD1 4.26Å; L223-P281 HydrophobicContact CD2-CB 3.26Å; L223-P281 HydrophobicContact CD2-CG 3.93Å; L223-E285 CarbonylContact O-C 3.59Å; L223-E285 WeakPolarHBondContact O-CA 3.41Å; L223-L286 PolarHBondContact N-O 2.88Å; L223-L286 PolarHBondContact O-N 2.75Å; L223-V288 HydrophobicContact CB-CG2 3.62Å; L223-V288 HydrophobicContact CD2-CG2 4.21Å
224K91.4Very high89.1Confident12 Ų1231.5 Ų31.55%0.05217%0.168CC..EExtended strand (participates in β ladder)trans-118.3115.6162.2-164.6171.2-174.2163.40110.4A177 R179 F195 F226 G284A177-K224 WeakPolarHBondContact O-CD 3.44Å; A177-K224 VanDerWaalsContact O-CE 3.29Å; A177-K224 WeakPolarHBondContact O-CE 3.22Å; A177-K224 PolarHBondContact O-NZ 2.83Å; R179-K224 PolarHBondContact O-NZ 2.9Å; F195-K224 HydrophobicContact CB-CB 4.36Å; F195-K224 PolarHBondContact N-O 2.79Å; F195-K224 PolarHBondContact O-N 3.06Å; K224-F226 HydrophobicContact CD-CE2 4.04Å; K224-F226 HydrophobicContact CD-CZ 3.88Å; K224-F226 HydrophobicContact CG-CE2 3.96Å; K224-F226 HydrophobicContact CG-CZ 4.18Å; K224-G284 WeakPolarHBondContact CA-O 3.04Å
225S89.5Confident89.3Confident2 Ų226.1 Ų26.11%0.01414%0.144CC..EExtended strand (participates in β ladder)trans-103.5125.2-177.7-175.20000111.1L227 G284S225-L227 WeakPolarHBondContact OG-CB 3.23Å; S225-L227 PolarHBondContact OG-N 3.46Å; S225-G284 PolarHBondContact N-O 2.85Å; S225-G284 PolarHBondContact O-N 2.89Å
226F86.4Confident89.4Confident15 Ų1526 Ų267%0.06614%0.143CC..  trans-103.416.4165.9-59.5-91.5000111.2V181 E193 F195 K224V181-F226 HydrophobicContact CG2-CE1 4.45Å; E193-F226 HydrophobicContact CB-CD2 4.45Å; E193-F226 WeakPolarHBondContact O-CB 3.32Å; E193-F226 PolarHBondContact O-N 2.79Å; F195-F226 AromaticContact CD2-CD2 3.92Å; F195-F226 HydrophobicContact CD2-CD2 3.92Å; F195-F226 AromaticContact CD2-CE2 3.55Å; F195-F226 HydrophobicContact CD2-CE2 3.55Å; F195-F226 AromaticContact CE2-CD2 3.81Å; F195-F226 HydrophobicContact CE2-CD2 3.81Å; F195-F226 AromaticContact CE2-CE2 3.5Å; F195-F226 HydrophobicContact CE2-CE2 3.5Å; F195-F226 VanDerWaalsContact CE2-CE2 3.5Å; K224-F226 HydrophobicContact CD-CE2 4.04Å; K224-F226 HydrophobicContact CD-CZ 3.88Å; K224-F226 HydrophobicContact CG-CE2 3.96Å; K224-F226 HydrophobicContact CG-CZ 4.18Å
227L82.3Confident89.4Confident4 Ų425.6 Ų25.62%0.02114%0.141CC..SBendtrans-83152.6178.9-57.6-178.9000111.3N192 V194 S225 L433 P443N192-L227 HydrophobicContact CB-CD2 3.69Å; V194-L227 HydrophobicContact CG2-CD1 3.42Å; V194-L227 VanDerWaalsContact CG2-CD1 3.42Å; V194-L227 HydrophobicContact CG2-CD2 4.06Å; V194-L227 HydrophobicContact CG2-CG 3.54Å; S225-L227 WeakPolarHBondContact OG-CB 3.23Å; S225-L227 PolarHBondContact OG-N 3.46Å; L227-L433 HydrophobicContact CD1-CD1 3.79Å; L227-L433 HydrophobicContact CD1-CD2 3.61Å; L227-L433 HydrophobicContact CD1-CG 4.36Å; L227-P443 HydrophobicContact CD2-CB 3.74Å; L227-P443 HydrophobicContact CD2-CG 4.46Å
228P75Confident89.1Confident66 Ų6626.5 Ų26.543%0.42915%0.147SC..PPolyproline II helixtrans-56.2140.9164.9-2233000111.5S231P228-S231 PolarHBondContact O-OG 3.41Å; P228-S231 VanDerWaalsContact O-OG 3.09Å
229S68.9Low88.6Confident75 Ų7527.7 Ų27.752%0.52415%0.152SC..THydrogen-bonded Turntrans-51.8144.4178.658.30000112.2E135E135-S229 VanDerWaalsContact CD-CB 3.5Å; E135-S229 WeakPolarHBondContact OE1-CB 3.47Å; E135-S229 WeakPolarHBondContact OE2-CB 3.4Å
230G72.5Confident87.9Confident48 Ų4831.2 Ų31.250%0.49517%0.168SC..THydrogen-bonded Turntrans89.51.117600000115.5E232G230-E232 PolarHBondContact O-N 2.93Å
231S81.9Confident87.4Confident8 Ų829.5 Ų29.56%0.05616%0.16CC..  trans-71.6112.2173.6-62.50000110.8P228 M233 P281P228-S231 PolarHBondContact O-OG 3.41Å; P228-S231 VanDerWaalsContact O-OG 3.09Å; S231-M233 PolarHBondContact O-N 2.94Å; S231-P281 VanDerWaalsContact O-CD 3.28Å; S231-P281 WeakPolarHBondContact O-CD 3.45Å
232E88.3Confident86.7Confident30 Ų3029.6 Ų29.614%0.1416%0.161CC..  trans-67.8134.3174.3172.1176.5-75.200111.7G230 R234 R278 Q280 L433 A434G230-E232 PolarHBondContact O-N 2.93Å; E232-R234 IonicContact OE2-CZ 3.76Å; E232-R234 IonicContact OE2-NE 3.76Å; E232-R234 IonicContact OE2-NH2 3.5Å; E232-R234 PolarHBondContact OE2-NH2 2.81Å; E232-R278 HydrophobicContact CG-CG 4.33Å; E232-R278 IonicContact OE1-CZ 3.73Å; E232-R278 IonicContact OE1-NE 3.42Å; E232-R278 PolarHBondContact OE1-NE 3.32Å; E232-R278 IonicContact OE1-NH2 3.93Å; E232-R278 PolarHBondContact OE1-NH2 2.89Å; E232-R278 IonicContact OE2-CZ 2.96Å; E232-R278 IonicContact OE2-NE 2.66Å; E232-R278 PolarHBondContact OE2-NE 3.25Å; E232-R278 IonicContact OE2-NH2 3.07Å; E232-Q280 HydrophobicContact CB-CG 4.29Å; E232-L433 WeakPolarHBondContact O-CA 3.12Å; E232-A434 HydrophobicContact CB-CB 3.99Å; E232-A434 HydrophobicContact CG-CB 4.09Å; E232-A434 PolarHBondContact O-N 3.17Å
233M91.2Very high86.2Confident0 Ų028.6 Ų28.60%016%0.163CC..EExtended strand (participates in β ladder)trans-124.5143.9179.8-168.8173.968.500111.1V194 L223 S231 I235 R278 L279 P281 L431 R432 L433V194-M233 HydrophobicContact CG1-SD 4.22Å; L223-M233 HydrophobicContact CD1-CE 3.69Å; L223-M233 HydrophobicContact CD1-SD 3.96Å; L223-M233 HydrophobicContact CD2-CE 3.35Å; L223-M233 HydrophobicContact CD2-SD 4.34Å; L223-M233 HydrophobicContact CG-CE 4.16Å; S231-M233 PolarHBondContact O-N 2.94Å; M233-I235 HydrophobicContact CE-CD1 3.76Å; M233-I235 HydrophobicContact CE-CG1 3.93Å; M233-R278 WeakPolarHBondContact O-CA 3.49Å; M233-L279 HydrophobicContact CB-CD2 4.46Å; M233-L279 HydrophobicContact CE-CD1 3.93Å; M233-L279 HydrophobicContact CE-CD2 3.64Å; M233-L279 HydrophobicContact CE-CG 3.84Å; M233-L279 PolarHBondContact N-O 3.07Å; M233-L279 PolarHBondContact O-N 2.95Å; M233-P281 HydrophobicContact CB-CG 4.45Å; M233-P281 HydrophobicContact CE-CG 4.2Å; M233-P281 HydrophobicContact SD-CG 4.46Å; M233-L431 HydrophobicContact CE-CD1 4.38Å; M233-L431 HydrophobicContact CG-CD1 3.73Å; M233-L431 HydrophobicContact SD-CD1 3.54Å; M233-L431 VanDerWaalsContact SD-CD1 3.54Å; M233-L431 HydrophobicContact SD-CG 4.38Å; M233-R432 CarbonylContact C-O 3.59Å; M233-R432 WeakPolarHBondContact CA-O 3.41Å; M233-R432 WeakPolarHBondContact CG-O 3.4Å; M233-L433 HydrophobicContact CB-CD2 3.78Å; M233-L433 HydrophobicContact CG-CD2 3.67Å; M233-L433 HydrophobicContact SD-CD2 4.11Å
234R94.3Very high85.5Confident81 Ų8129.6 Ų29.631%0.30617%0.173SC..EExtended strand (participates in β ladder)trans-125.5123.6172.9-60-172.9-165.4-168.63.5110.1E232 E270 I276 L277 R278 F430 R432E232-R234 IonicContact OE2-CZ 3.76Å; E232-R234 IonicContact OE2-NE 3.76Å; E232-R234 IonicContact OE2-NH2 3.5Å; E232-R234 PolarHBondContact OE2-NH2 2.81Å; R234-E270 IonicContact CZ-OE1 3.42Å; R234-E270 IonicContact NE-OE1 2.7Å; R234-E270 IonicContact NH1-OE1 3.27Å; R234-E270 PolarHBondContact NH1-OE1 3.15Å; R234-E270 IonicContact NH1-OE2 3.76Å; R234-E270 PolarHBondContact NH1-OE2 2.83Å; R234-I276 HydrophobicContact CB-CG2 3.95Å; R234-I276 HydrophobicContact CG-CG2 4.37Å; R234-L277 WeakPolarHBondContact CA-O 3.27Å; R234-R278 HydrophobicContact CG-CG 4.44Å; R234-F430 HydrophobicContact CB-CE2 4.48Å; R234-R432 HydrophobicContact CB-CB 4.34Å; R234-R432 PolarHBondContact N-O 2.69Å; R234-R432 PolarHBondContact O-N 2.78Å
235I95.9Very high84.3Confident0 Ų039 Ų390%021%0.214CC..EExtended strand (participates in β ladder)trans-107.6114.2176.1-51.8172000107.2L196 M233 L237 I276 L277 L279 V288 V428 L431L196-I235 HydrophobicContact CD1-CD1 3.95Å; L196-I235 HydrophobicContact CD2-CG2 3.98Å; M233-I235 HydrophobicContact CE-CD1 3.76Å; M233-I235 HydrophobicContact CE-CG1 3.93Å; I235-L237 HydrophobicContact CG2-CD2 3.95Å; I235-I276 CarbonylContact O-C 3.54Å; I235-I276 WeakPolarHBondContact O-CA 3.16Å; I235-L277 HydrophobicContact CB-CB 4.27Å; I235-L277 PolarHBondContact N-O 3.24Å; I235-L277 PolarHBondContact O-N 3.39Å; I235-L279 HydrophobicContact CD1-CD2 3.94Å; I235-L279 HydrophobicContact CG1-CD2 4.19Å; I235-V288 HydrophobicContact CD1-CG1 4.14Å; I235-V288 HydrophobicContact CD1-CG2 4.43Å; I235-V428 HydrophobicContact CG2-CG1 3.99Å; I235-L431 HydrophobicContact CG1-CD1 3.73Å
236G95.3Very high83.1Confident0 Ų041.5 Ų41.50%023%0.232CC..EExtended strand (participates in β ladder)trans-90.4119.317400000110.6V428 R429 F430G236-V428 CarbonylContact O-C 3.58Å; G236-R429 PolarHBondContact O-N 3.5Å; G236-F430 PolarHBondContact N-O 2.87Å
237L94.3Very high81.7Confident0 Ų049 Ų490%027%0.267CS..EExtended strand (participates in β ladder)trans-93.5167.6175.1-53.5-178.7000110.9I221 I235 E239 F271 R275 L277 M289 L426 V428 R429I221-L237 HydrophobicContact CD1-CD1 4.4Å; I221-L237 HydrophobicContact CD1-CD2 3.74Å; I235-L237 HydrophobicContact CG2-CD2 3.95Å; L237-E239 PolarHBondContact O-N 3.21Å; L237-F271 HydrophobicContact CD1-CE2 4.29Å; L237-R275 HydrophobicContact CB-CB 4.29Å; L237-R275 PolarHBondContact N-O 3.29Å; L237-L277 HydrophobicContact CD1-CD1 4.08Å; L237-L277 HydrophobicContact CD1-CG 4.23Å; L237-M289 HydrophobicContact CD1-CE 4.21Å; L237-M289 HydrophobicContact CD1-SD 3.93Å; L237-L426 HydrophobicContact CB-CD1 4.3Å; L237-V428 HydrophobicContact CD2-CG2 4.46Å; L237-R429 WeakPolarHBondContact O-CD 3.12Å
238T90Very high80.6Confident18 Ų1852.4 Ų52.411%0.1129%0.285CS..  trans-45.3131.3169.7-53.10000111.4E240 F241 I255 Q427T238-E240 VanDerWaalsContact C-N 3.3Å; T238-E240 WeakPolarHBondContact CG2-OE2 3.29Å; T238-E240 PolarHBondContact O-N 3.48Å; T238-F241 VanDerWaalsContact O-CB 3.22Å; T238-F241 WeakPolarHBondContact O-CB 3.31Å; T238-F241 PolarHBondContact O-N 2.82Å; T238-I255 HydrophobicContact CG2-CD1 3.69Å; T238-Q427 PolarHBondContact N-O 2.84Å; T238-Q427 VanDerWaalsContact N-O 3.12Å; T238-Q427 PolarHBondContact OG1-N 2.91Å; T238-Q427 PolarHBondContact OG1-O 2.8Å
239E84.5Confident79.6Confident108 Ų10857.8 Ų57.851%0.50530%0.297SS..THydrogen-bonded Turntrans-68.7-32.6-174-65.9-171.4162.700112.1L237 F241 R429L237-E239 PolarHBondContact O-N 3.21Å; E239-F241 PolarHBondContact O-N 2.93Å; E239-R429 VanDerWaalsContact CD-NH1 3.29Å; E239-R429 VanDerWaalsContact CG-CZ 3.49Å; E239-R429 IonicContact OE1-CZ 3.14Å; E239-R429 IonicContact OE1-NH1 3.85Å; E239-R429 PolarHBondContact OE1-NH1 3.5Å; E239-R429 IonicContact OE1-NH2 3.03Å; E239-R429 PolarHBondContact OE1-NH2 2.78Å
240E81.8Confident79Confident77 Ų7756.7 Ų56.736%0.3630%0.297SS..THydrogen-bonded Turntrans-78.28.3178.8-51.886.2171.900113.2T238 C242 G254 I255T238-E240 VanDerWaalsContact C-N 3.3Å; T238-E240 WeakPolarHBondContact CG2-OE2 3.29Å; T238-E240 PolarHBondContact O-N 3.48Å; E240-C242 PolarHBondContact O-N 2.86Å; E240-G254 WeakPolarHBondContact O-CA 3.44Å; E240-I255 PolarHBondContact O-N 2.49Å
241F86.1Confident78Confident0 Ų066.5 Ų66.50%032%0.321CS..EExtended strand (participates in β ladder)trans-64.2129171.9-173-90.7000110.3T238 E239 V243 I255 V257 V260 F271 R275 M289 L426T238-F241 VanDerWaalsContact O-CB 3.22Å; T238-F241 WeakPolarHBondContact O-CB 3.31Å; T238-F241 PolarHBondContact O-N 2.82Å; E239-F241 PolarHBondContact O-N 2.93Å; F241-V243 HydrophobicContact CD1-CG2 4.4Å; F241-V243 HydrophobicContact CE1-CG2 3.72Å; F241-I255 CarbonylContact C-O 3.56Å; F241-I255 WeakPolarHBondContact CA-O 3.41Å; F241-I255 HydrophobicContact CD2-CB 4.31Å; F241-I255 HydrophobicContact CD2-CG2 4.03Å; F241-I255 HydrophobicContact CE2-CG2 4.42Å; F241-V257 HydrophobicContact CE1-CG2 3.84Å; F241-V257 HydrophobicContact CE2-CB 4.49Å; F241-V257 HydrophobicContact CE2-CG1 3.7Å; F241-V257 HydrophobicContact CE2-CG2 3.9Å; F241-V257 HydrophobicContact CZ-CB 4.34Å; F241-V257 HydrophobicContact CZ-CG1 4.01Å; F241-V257 HydrophobicContact CZ-CG2 3.37Å; F241-V260 HydrophobicContact CE1-CG2 4.11Å; F241-V260 HydrophobicContact CZ-CG2 3.85Å; F241-F271 HydrophobicContact CD1-CE2 4.32Å; F241-F271 AromaticContact CD1-CZ 3.86Å; F241-F271 HydrophobicContact CD1-CZ 3.86Å; F241-F271 HydrophobicContact CE1-CE2 4.34Å; F241-F271 AromaticContact CE1-CZ 3.72Å; F241-F271 HydrophobicContact CE1-CZ 3.72Å; F241-R275 HydrophobicContact CB-CG 4.34Å; F241-R275 VanDerWaalsContact O-CZ 3.3Å; F241-R275 PolarHBondContact O-NE 2.78Å; F241-R275 PolarHBondContact O-NH2 2.88Å; F241-R275 VanDerWaalsContact O-NH2 3.15Å; F241-M289 HydrophobicContact CE1-CE 4.41Å; F241-M289 HydrophobicContact CE2-CE 3.94Å; F241-M289 HydrophobicContact CZ-CE 3.57Å; F241-L426 HydrophobicContact CD2-CD1 3.73Å; F241-L426 HydrophobicContact CE2-CD1 4.07Å
242C82.9Confident76.7Confident2 Ų267.7 Ų67.71%0.01433%0.334CS..EExtended strand (participates in β ladder)trans-139.3140.8-178.3-65.20000109.8E240 L248 I255 R256 V257E240-C242 PolarHBondContact O-N 2.86Å; C242-L248 HydrophobicContact CB-CD2 4.31Å; C242-I255 PolarHBondContact N-O 2.79Å; C242-R256 CarbonylContact O-C 3.4Å; C242-R256 WeakPolarHBondContact O-CA 3.29Å; C242-V257 WeakPolarHBondContact O-CG2 3.41Å; C242-V257 PolarHBondContact O-N 2.8Å
243V84.3Confident75.2Confident53 Ų5372 Ų7232%0.32137%0.365SS..EExtended strand (participates in β ladder)trans-104.6131.2177.8-1720000109.8F241 S246 V257 V260 F271F241-V243 HydrophobicContact CD1-CG2 4.4Å; F241-V243 HydrophobicContact CE1-CG2 3.72Å; V243-S246 WeakPolarHBondContact O-CB 2.91Å; V243-V257 CarbonylContact C-O 3.6Å; V243-V257 WeakPolarHBondContact CA-O 3.49Å; V243-V257 HydrophobicContact CB-CG2 4.4Å; V243-V257 HydrophobicContact CG1-CG2 4.49Å; V243-V257 HydrophobicContact CG2-CG2 3.97Å; V243-V260 HydrophobicContact CG1-CG2 4.09Å; V243-V260 HydrophobicContact CG2-CB 4.38Å; V243-V260 HydrophobicContact CG2-CG2 3.68Å; V243-F271 HydrophobicContact CG2-CE1 4.45Å; V243-F271 HydrophobicContact CG2-CZ 4.48Å
244G79.3Confident74.1Confident22 Ų2272.6 Ų72.623%0.22737%0.371CS..THydrogen-bonded Turntrans60.2-142.4178.700000113.5S246 R256 V257G244-S246 PolarHBondContact O-N 2.93Å; G244-R256 WeakPolarHBondContact O-CG 3.37Å; G244-R256 PolarHBondContact O-NH1 2.83Å; G244-V257 PolarHBondContact N-O 2.84Å
245K66Low73.5Confident210 Ų21069.1 Ų69.191%0.91336%0.358SS*.THydrogen-bonded Turntrans-84.914.9-178.3-64.1-177.2-179.4177.40114.2E247K245-E247 PolarHBondContact O-N 2.77Å
246S63.3Low73Confident55 Ų5572.3 Ų72.339%0.38537%0.37SS..  trans-55.7141.6175.4-172.90000110.4V243 G244 L248 R256V243-S246 WeakPolarHBondContact O-CB 2.91Å; G244-S246 PolarHBondContact O-N 2.93Å; S246-L248 PolarHBondContact O-N 3.36Å; S246-R256 PolarHBondContact O-NH1 2.89Å
247E58.4Low72.7Confident173 Ų17372.3 Ų72.381%0.80837%0.37SS*.  trans-57.7131.3176.2-66.2-173.9171.700109.3K245 R249K245-E247 PolarHBondContact O-N 2.77Å; E247-R249 PolarHBondContact O-N 3.01Å; E247-R249 VanDerWaalsContact O-N 3.14Å
248L58Low72.5Confident75 Ų7575.6 Ų75.639%0.39339%0.388SS..  trans-65.3114175.6-72163.4000107.8C242 S246 G250C242-L248 HydrophobicContact CB-CD2 4.31Å; S246-L248 PolarHBondContact O-N 3.36Å; L248-G250 PolarHBondContact O-N 2.66Å
249R55Low72.5Confident178 Ų17881 Ų8167%0.67241%0.412SS*.  trans-78.699.6167.8-73.5-173.6177.2178.52108.2E247E247-R249 PolarHBondContact O-N 3.01Å; E247-R249 VanDerWaalsContact O-N 3.14Å
250G54.9Low73Confident52 Ų5277.5 Ų77.554%0.53640%0.398SS..SBendtrans137.1169.5171.700000114.8L248L248-G250 PolarHBondContact O-N 2.66Å
251Y52.3Low73.6Confident255 Ų25576.7 Ų76.7100%140%0.401SS*.SBendtrans-95.314.4-180-72.6-86.9000113.4
252G54.2Low74Confident32 Ų3279.5 Ų79.533%0.3341%0.413SS..SBendtrans-112.8166.6-176.200000113.9G254G252-G254 VanDerWaalsContact C-N 3.31Å; G252-G254 PolarHBondContact O-N 3.28Å
253P57.6Low74.5Confident120 Ų12082 Ų8278%0.77942%0.424SS*.  trans-67.992.1169.829.3-31.5000108.2
254G68.1Low74.7Confident13 Ų1384.9 Ų84.913%0.13445%0.447CS..  trans-72.1154.1-179.500000112.3E240 G252 R256E240-G254 WeakPolarHBondContact O-CA 3.44Å; G252-G254 VanDerWaalsContact C-N 3.31Å; G252-G254 PolarHBondContact O-N 3.28Å; G254-R256 PolarHBondContact O-N 2.63Å
255I81.8Confident75.2Confident8 Ų885.7 Ų85.74%0.04145%0.449CS..EExtended strand (participates in β ladder)trans-81.5102.4177-54.5166.5000106.4T238 E240 F241 C242 V257 S424 G425 L426T238-I255 HydrophobicContact CG2-CD1 3.69Å; E240-I255 PolarHBondContact O-N 2.49Å; F241-I255 CarbonylContact C-O 3.56Å; F241-I255 WeakPolarHBondContact CA-O 3.41Å; F241-I255 HydrophobicContact CD2-CB 4.31Å; F241-I255 HydrophobicContact CD2-CG2 4.03Å; F241-I255 HydrophobicContact CE2-CG2 4.42Å; C242-I255 PolarHBondContact N-O 2.79Å; I255-V257 HydrophobicContact CG2-CG1 4.2Å; I255-S424 WeakPolarHBondContact CG1-O 3.44Å; I255-S424 WeakPolarHBondContact CG2-O 3.39Å; I255-G425 VanDerWaalsContact CD1-C 3.43Å; I255-G425 WeakPolarHBondContact CD1-O 3.33Å; I255-L426 VanDerWaalsContact CD1-CA 3.5Å; I255-L426 HydrophobicContact CD1-CB 4.29Å; I255-L426 HydrophobicContact CD1-CD1 4.37Å
256R84.9Confident76.5Confident67 Ų6776.4 Ų76.425%0.25341%0.41SS..EExtended strand (participates in β ladder)trans-96.2111.9176.2-178.1-176.9-59.3-76.92.3109C242 G244 S246 G254 L293C242-R256 CarbonylContact O-C 3.4Å; C242-R256 WeakPolarHBondContact O-CA 3.29Å; G244-R256 WeakPolarHBondContact O-CG 3.37Å; G244-R256 PolarHBondContact O-NH1 2.83Å; S246-R256 PolarHBondContact O-NH1 2.89Å; G254-R256 PolarHBondContact O-N 2.63Å; R256-L293 WeakPolarHBondContact O-CD1 3.39Å
257V89.3Confident78Confident0 Ų076.3 Ų76.30%041%0.405CS..EExtended strand (participates in β ladder)trans-100.1147.1172-63.80000109.8F241 C242 V243 G244 I255 V260 Y291 Q292F241-V257 HydrophobicContact CE1-CG2 3.84Å; F241-V257 HydrophobicContact CE2-CB 4.49Å; F241-V257 HydrophobicContact CE2-CG1 3.7Å; F241-V257 HydrophobicContact CE2-CG2 3.9Å; F241-V257 HydrophobicContact CZ-CB 4.34Å; F241-V257 HydrophobicContact CZ-CG1 4.01Å; F241-V257 HydrophobicContact CZ-CG2 3.37Å; C242-V257 WeakPolarHBondContact O-CG2 3.41Å; C242-V257 PolarHBondContact O-N 2.8Å; V243-V257 CarbonylContact C-O 3.6Å; V243-V257 WeakPolarHBondContact CA-O 3.49Å; V243-V257 HydrophobicContact CB-CG2 4.4Å; V243-V257 HydrophobicContact CG1-CG2 4.49Å; V243-V257 HydrophobicContact CG2-CG2 3.97Å; G244-V257 PolarHBondContact N-O 2.84Å; I255-V257 HydrophobicContact CG2-CG1 4.2Å; V257-V260 HydrophobicContact CB-CG2 4.38Å; V257-V260 HydrophobicContact CG2-CG2 3.37Å; V257-Y291 HydrophobicContact CG1-CD2 3.85Å; V257-Y291 HydrophobicContact CG1-CG 4.39Å; V257-Q292 CarbonylContact C-O 3.57Å; V257-Q292 WeakPolarHBondContact CB-O 3.5Å
258D89.8Confident79.7Confident70 Ų7071.5 Ų71.537%0.37439%0.385SS..SBendtrans-77.5-46.2-179.8-62.9-54.1000111.2Q292 S294D258-Q292 PolarHBondContact N-O 3.42Å; D258-S294 WeakPolarHBondContact OD2-CB 3.39Å; D258-S294 PolarHBondContact OD2-N 2.87Å
259E90.9Very high81.4Confident132 Ų13274 Ų7462%0.61740%0.399SS*.EExtended strand (participates in β ladder)trans-134.6143.6-175.1-61.9-173-178.500110.8Y291 Q292E259-Y291 CarbonylContact O-C 3.55Å; E259-Y291 VanDerWaalsContact O-CA 3.26Å; E259-Y291 WeakPolarHBondContact O-CA 3.17Å; E259-Q292 HydrophobicContact CB-CB 4.48Å; E259-Q292 PolarHBondContact N-O 3.13Å; E259-Q292 PolarHBondContact O-N 3.38Å
260V93.7Very high83.2Confident33 Ų3367.3 Ų67.320%0.238%0.375CS..EExtended strand (participates in β ladder)trans-138135.7173.2-176.70000109.1F241 V243 V257 F262 M289 R290F241-V260 HydrophobicContact CE1-CG2 4.11Å; F241-V260 HydrophobicContact CZ-CG2 3.85Å; V243-V260 HydrophobicContact CG1-CG2 4.09Å; V243-V260 HydrophobicContact CG2-CB 4.38Å; V243-V260 HydrophobicContact CG2-CG2 3.68Å; V257-V260 HydrophobicContact CB-CG2 4.38Å; V257-V260 HydrophobicContact CG2-CG2 3.37Å; V260-F262 HydrophobicContact CB-CE2 4.3Å; V260-F262 HydrophobicContact CB-CZ 4.32Å; V260-F262 HydrophobicContact CG1-CD1 4.29Å; V260-F262 HydrophobicContact CG1-CD2 4.18Å; V260-F262 HydrophobicContact CG1-CE1 3.7Å; V260-F262 HydrophobicContact CG1-CE2 3.59Å; V260-F262 HydrophobicContact CG1-CZ 3.33Å; V260-M289 HydrophobicContact CG1-CE 4.33Å; V260-M289 HydrophobicContact CG1-CG 3.69Å; V260-M289 HydrophobicContact CG1-SD 4.01Å; V260-R290 CarbonylContact C-O 3.57Å; V260-R290 VanDerWaalsContact CA-O 3.31Å; V260-R290 WeakPolarHBondContact CA-O 3.42Å; V260-R290 WeakPolarHBondContact CG1-O 3.34Å
261S94.7Very high84.9Confident60 Ų6065.4 Ų65.442%0.4235%0.352SS..EExtended strand (participates in β ladder)trans-120140.3167.661.10000109.8M289 R290S261-M289 CarbonylContact O-C 3.56Å; S261-M289 WeakPolarHBondContact O-CA 3.46Å; S261-R290 PolarHBondContact N-O 3.43Å; S261-R290 PolarHBondContact O-N 3.49Å; S261-R290 WeakPolarHBondContact OG-CB 3.46Å
262F95.2Very high86.5Confident59 Ų5958.1 Ų58.126%0.25933%0.327SS..EExtended strand (participates in β ladder)trans-113.9148.8178.7-59.9-79.4000109.9V260 V266 L268 F271 L277 M289V260-F262 HydrophobicContact CB-CE2 4.3Å; V260-F262 HydrophobicContact CB-CZ 4.32Å; V260-F262 HydrophobicContact CG1-CD1 4.29Å; V260-F262 HydrophobicContact CG1-CD2 4.18Å; V260-F262 HydrophobicContact CG1-CE1 3.7Å; V260-F262 HydrophobicContact CG1-CE2 3.59Å; V260-F262 HydrophobicContact CG1-CZ 3.33Å; F262-V266 HydrophobicContact CB-CB 4.34Å; F262-V266 HydrophobicContact CD1-CG1 4.46Å; F262-L268 HydrophobicContact CB-CD2 4.41Å; F262-L268 HydrophobicContact CD1-CD2 3.82Å; F262-L268 HydrophobicContact CD2-CD1 3.73Å; F262-L268 HydrophobicContact CD2-CD2 3.79Å; F262-L268 HydrophobicContact CD2-CG 4.41Å; F262-L268 HydrophobicContact CE1-CD2 3.93Å; F262-L268 HydrophobicContact CE2-CD1 4.06Å; F262-L268 HydrophobicContact CE2-CD2 3.89Å; F262-L268 HydrophobicContact CG-CD1 4.3Å; F262-L268 HydrophobicContact CG-CD2 3.73Å; F262-L268 HydrophobicContact CZ-CD2 3.95Å; F262-F271 HydrophobicContact CE1-CD2 4.5Å; F262-F271 HydrophobicContact CE1-CE2 4.18Å; F262-F271 HydrophobicContact CE1-CZ 4.33Å; F262-F271 HydrophobicContact CE2-CE1 4.47Å; F262-F271 HydrophobicContact CZ-CD1 4.23Å; F262-F271 HydrophobicContact CZ-CD2 4.36Å; F262-F271 AromaticContact CZ-CE1 3.82Å; F262-F271 HydrophobicContact CZ-CE1 3.82Å; F262-F271 AromaticContact CZ-CE2 3.95Å; F262-F271 HydrophobicContact CZ-CE2 3.95Å; F262-F271 HydrophobicContact CZ-CG 4.48Å; F262-F271 AromaticContact CZ-CZ 3.67Å; F262-F271 HydrophobicContact CZ-CZ 3.67Å; F262-L277 HydrophobicContact CD1-CD2 3.98Å; F262-L277 HydrophobicContact CE1-CD2 3.52Å; F262-L277 HydrophobicContact CZ-CD2 4.43Å; F262-M289 HydrophobicContact CD1-CB 4.12Å; F262-M289 HydrophobicContact CD1-CG 3.91Å; F262-M289 HydrophobicContact CD1-SD 4.26Å; F262-M289 HydrophobicContact CE1-CB 4.38Å; F262-M289 HydrophobicContact CE1-CG 3.78Å; F262-M289 HydrophobicContact CE1-SD 3.58Å; F262-M289 VanDerWaalsContact CE1-SD 3.58Å; F262-M289 HydrophobicContact CZ-SD 4.39Å
263H93.1Very high88.1Confident54 Ų5460.3 Ų60.325%0.2534%0.337CS..  trans-65.2148.3167.4-172-102000110.8S265 V266 L286 T287 V288H263-S265 WeakPolarHBondContact ND1-CB 3.42Å; H263-S265 PolarHBondContact ND1-N 3.45Å; H263-S265 VanDerWaalsContact ND1-N 3.14Å; H263-S265 PolarHBondContact ND1-OG 3.42Å; H263-S265 PolarHBondContact O-N 3.06Å; H263-S265 VanDerWaalsContact O-N 3.09Å; H263-V266 HydrophobicContact CB-CG2 4.17Å; H263-V266 WeakPolarHBondContact O-CB 3.28Å; H263-V266 WeakPolarHBondContact O-CG2 3.42Å; H263-V266 PolarHBondContact O-N 3.47Å; H263-L286 VanDerWaalsContact CE1-CD1 3.46Å; H263-L286 WeakPolarHBondContact CE1-CD1 3.29Å; H263-L286 WeakPolarHBondContact NE2-CD1 3.49Å; H263-T287 WeakPolarHBondContact CB-O 3.38Å; H263-V288 PolarHBondContact N-O 3.24Å
264S89.3Confident89.6Confident114 Ų11459.7 Ų59.780%0.79732%0.324SS*.THydrogen-bonded Turntrans-60.2-22.2-178.355.80000114.2V266S264-V266 VanDerWaalsContact C-N 3.26Å; S264-V266 PolarHBondContact O-N 3.07Å
265S88.9Confident90.8Very high39 Ų3959.8 Ų59.827%0.27332%0.32SS..THydrogen-bonded Turntrans-79.9-2.8176.572.90000114.2H263 L279H263-S265 WeakPolarHBondContact ND1-CB 3.42Å; H263-S265 PolarHBondContact ND1-N 3.45Å; H263-S265 VanDerWaalsContact ND1-N 3.14Å; H263-S265 PolarHBondContact ND1-OG 3.42Å; H263-S265 PolarHBondContact O-N 3.06Å; H263-S265 VanDerWaalsContact O-N 3.09Å; S265-L279 WeakPolarHBondContact O-CB 3.14Å
266V93.9Very high91.4Very high15 Ų1560.3 Ų60.39%0.09132%0.323CS..EExtended strand (participates in β ladder)trans-91.7120.3-178-175.50000109.6F262 H263 S264 L268 L277 R278 L279 V288F262-V266 HydrophobicContact CB-CB 4.34Å; F262-V266 HydrophobicContact CD1-CG1 4.46Å; H263-V266 HydrophobicContact CB-CG2 4.17Å; H263-V266 WeakPolarHBondContact O-CB 3.28Å; H263-V266 WeakPolarHBondContact O-CG2 3.42Å; H263-V266 PolarHBondContact O-N 3.47Å; S264-V266 VanDerWaalsContact C-N 3.26Å; S264-V266 PolarHBondContact O-N 3.07Å; V266-L268 HydrophobicContact CG1-CD2 3.81Å; V266-L277 HydrophobicContact CG1-CB 4.01Å; V266-L277 HydrophobicContact CG1-CD2 4.06Å; V266-R278 CarbonylContact C-O 3.57Å; V266-L279 HydrophobicContact CG2-CB 4.38Å; V266-L279 HydrophobicContact CG2-CD1 4.43Å; V266-V288 HydrophobicContact CG2-CG1 3.78Å
267N93.8Very high91.9Very high54 Ų5457.1 Ų57.129%0.28931%0.311SS..EExtended strand (participates in β ladder)trans-83.9128167.4176.4-47.3000109.1D269 R278N267-D269 PolarHBondContact ND2-OD2 2.87Å; N267-D269 WeakPolarHBondContact OD1-CB 3.3Å; N267-D269 PolarHBondContact OD1-N 3.25Å; N267-D269 PolarHBondContact OD1-OD2 2.8Å; N267-D269 VanDerWaalsContact OD1-OD2 3.07Å; N267-R278 HydrophobicContact CB-CB 4.32Å; N267-R278 PolarHBondContact N-O 2.87Å; N267-R278 PolarHBondContact O-N 3.37Å
268L93.9Very high92.2Very high71 Ų7161 Ų6137%0.37233%0.326SS..  trans-102.46-173.9-58.9175.7000113.8F262 V266 E270 F271 L277F262-L268 HydrophobicContact CB-CD2 4.41Å; F262-L268 HydrophobicContact CD1-CD2 3.82Å; F262-L268 HydrophobicContact CD2-CD1 3.73Å; F262-L268 HydrophobicContact CD2-CD2 3.79Å; F262-L268 HydrophobicContact CD2-CG 4.41Å; F262-L268 HydrophobicContact CE1-CD2 3.93Å; F262-L268 HydrophobicContact CE2-CD1 4.06Å; F262-L268 HydrophobicContact CE2-CD2 3.89Å; F262-L268 HydrophobicContact CG-CD1 4.3Å; F262-L268 HydrophobicContact CG-CD2 3.73Å; F262-L268 HydrophobicContact CZ-CD2 3.95Å; V266-L268 HydrophobicContact CG1-CD2 3.81Å; L268-E270 VanDerWaalsContact C-N 3.25Å; L268-E270 PolarHBondContact O-N 2.92Å; L268-F271 HydrophobicContact CB-CB 4.18Å; L268-F271 HydrophobicContact CD2-CB 4.15Å; L268-F271 HydrophobicContact CD2-CG 4.32Å; L268-F271 VanDerWaalsContact O-CB 3.29Å; L268-F271 WeakPolarHBondContact O-CB 3.28Å; L268-F271 PolarHBondContact O-N 3.17Å; L268-L277 HydrophobicContact CD2-CD2 4.21Å
269D93.9Very high92.3Very high128 Ų12858 Ų5868%0.68431%0.309SS*.THydrogen-bonded Turntrans-58.7-37.3-176.2-61.4-23.6000112N267N267-D269 PolarHBondContact ND2-OD2 2.87Å; N267-D269 WeakPolarHBondContact OD1-CB 3.3Å; N267-D269 PolarHBondContact OD1-N 3.25Å; N267-D269 PolarHBondContact OD1-OD2 2.8Å; N267-D269 VanDerWaalsContact OD1-OD2 3.07Å
270E92.8Very high92.3Very high37 Ų3757.1 Ų57.117%0.17331%0.305CS..THydrogen-bonded Turntrans-90.5-7177.5-62.6-179.2-14300113R234 L268 H274 R275 I276R234-E270 IonicContact CZ-OE1 3.42Å; R234-E270 IonicContact NE-OE1 2.7Å; R234-E270 IonicContact NH1-OE1 3.27Å; R234-E270 PolarHBondContact NH1-OE1 3.15Å; R234-E270 IonicContact NH1-OE2 3.76Å; R234-E270 PolarHBondContact NH1-OE2 2.83Å; L268-E270 VanDerWaalsContact C-N 3.25Å; L268-E270 PolarHBondContact O-N 2.92Å; E270-H274 WeakPolarHBondContact O-CB 3.43Å; E270-H274 PolarHBondContact O-N 2.83Å; E270-R275 PolarHBondContact O-N 3.35Å; E270-I276 CarbonylContact C-O 3.53Å; E270-I276 HydrophobicContact CB-CB 3.9Å; E270-I276 HydrophobicContact CB-CG2 4.29Å; E270-I276 PolarHBondContact O-N 3Å
271F91.4Very high91.9Very high13 Ų1355.9 Ų55.96%0.05730%0.298CS..Hα-helixtrans-70.7-42.2-174.4-179.6-103.7000111.7L237 F241 V243 F262 L268 S273 R275 I276 L277L237-F271 HydrophobicContact CD1-CE2 4.29Å; F241-F271 HydrophobicContact CD1-CE2 4.32Å; F241-F271 AromaticContact CD1-CZ 3.86Å; F241-F271 HydrophobicContact CD1-CZ 3.86Å; F241-F271 HydrophobicContact CE1-CE2 4.34Å; F241-F271 AromaticContact CE1-CZ 3.72Å; F241-F271 HydrophobicContact CE1-CZ 3.72Å; V243-F271 HydrophobicContact CG2-CE1 4.45Å; V243-F271 HydrophobicContact CG2-CZ 4.48Å; F262-F271 HydrophobicContact CE1-CD2 4.5Å; F262-F271 HydrophobicContact CE1-CE2 4.18Å; F262-F271 HydrophobicContact CE1-CZ 4.33Å; F262-F271 HydrophobicContact CE2-CE1 4.47Å; F262-F271 HydrophobicContact CZ-CD1 4.23Å; F262-F271 HydrophobicContact CZ-CD2 4.36Å; F262-F271 AromaticContact CZ-CE1 3.82Å; F262-F271 HydrophobicContact CZ-CE1 3.82Å; F262-F271 AromaticContact CZ-CE2 3.95Å; F262-F271 HydrophobicContact CZ-CE2 3.95Å; F262-F271 HydrophobicContact CZ-CG 4.48Å; F262-F271 AromaticContact CZ-CZ 3.67Å; F262-F271 HydrophobicContact CZ-CZ 3.67Å; L268-F271 HydrophobicContact CB-CB 4.18Å; L268-F271 HydrophobicContact CD2-CB 4.15Å; L268-F271 HydrophobicContact CD2-CG 4.32Å; L268-F271 VanDerWaalsContact O-CB 3.29Å; L268-F271 WeakPolarHBondContact O-CB 3.28Å; L268-F271 PolarHBondContact O-N 3.17Å; F271-S273 PolarHBondContact O-N 3.2Å; F271-R275 VanDerWaalsContact O-CA 3.26Å; F271-R275 WeakPolarHBondContact O-CA 3.33Å; F271-R275 WeakPolarHBondContact O-CD 3.47Å; F271-R275 PolarHBondContact O-N 3.04Å; F271-R275 PolarHBondContact O-NH1 3.24Å; F271-I276 WeakPolarHBondContact CA-O 3.42Å; F271-I276 PolarHBondContact N-O 3.39Å; F271-L277 HydrophobicContact CD2-CD2 3.4Å; F271-L277 VanDerWaalsContact CD2-CD2 3.4Å; F271-L277 HydrophobicContact CD2-CG 4.46Å; F271-L277 HydrophobicContact CE2-CD2 3.87Å; F271-L277 HydrophobicContact CG-CD2 4.23Å
272E86Confident91.4Very high102 Ų10254.8 Ų54.848%0.47729%0.289SS..Hα-helixtrans-68.8-35.6-175.1-165.451.7-118.300112.9R275E272-R275 VanDerWaalsContact C-NH1 3.32Å; E272-R275 VanDerWaalsContact CA-NH1 3.28Å; E272-R275 PolarHBondContact O-NH1 3.33Å; E272-R275 IonicContact OE1-CZ 3.99Å; E272-R275 IonicContact OE1-NH1 3.9Å; E272-R275 PolarHBondContact OE1-NH1 3.29Å; E272-R275 VanDerWaalsContact OE1-NH1 3.12Å; E272-R275 IonicContact OE1-NH2 3.21Å; E272-R275 IonicContact OE2-NH1 3.63Å
273S87.4Confident90.9Very high78 Ų7852.4 Ų52.455%0.54528%0.279SS..Hα-helixtrans-91.6-35-176.7-63.30000113.6F271F271-S273 PolarHBondContact O-N 3.2Å
274H89.1Confident90.7Very high106 Ų10649.9 Ų49.949%0.49127%0.267SS..Hα-helixtrans-126.8-3-168.4-57.9-58.9000114.2E270 I276E270-H274 WeakPolarHBondContact O-CB 3.43Å; E270-H274 PolarHBondContact O-N 2.83Å; H274-I276 HydrophobicContact CB-CB 4.39Å; H274-I276 HydrophobicContact CB-CD1 3.53Å; H274-I276 HydrophobicContact CB-CG1 3.69Å; H274-I276 PolarHBondContact O-N 3.11Å
275R92.5Very high90.7Very high15 Ų1547.3 Ų47.36%0.05724%0.243CC..  trans53.639.9-172.2-55.4-61.9179.6-122.25.4112.1L237 F241 E270 F271 E272L237-R275 HydrophobicContact CB-CB 4.29Å; L237-R275 PolarHBondContact N-O 3.29Å; F241-R275 HydrophobicContact CB-CG 4.34Å; F241-R275 VanDerWaalsContact O-CZ 3.3Å; F241-R275 PolarHBondContact O-NE 2.78Å; F241-R275 PolarHBondContact O-NH2 2.88Å; F241-R275 VanDerWaalsContact O-NH2 3.15Å; E270-R275 PolarHBondContact O-N 3.35Å; F271-R275 VanDerWaalsContact O-CA 3.26Å; F271-R275 WeakPolarHBondContact O-CA 3.33Å; F271-R275 WeakPolarHBondContact O-CD 3.47Å; F271-R275 PolarHBondContact O-N 3.04Å; F271-R275 PolarHBondContact O-NH1 3.24Å; E272-R275 VanDerWaalsContact C-NH1 3.32Å; E272-R275 VanDerWaalsContact CA-NH1 3.28Å; E272-R275 PolarHBondContact O-NH1 3.33Å; E272-R275 IonicContact OE1-CZ 3.99Å; E272-R275 IonicContact OE1-NH1 3.9Å; E272-R275 PolarHBondContact OE1-NH1 3.29Å; E272-R275 VanDerWaalsContact OE1-NH1 3.12Å; E272-R275 IonicContact OE1-NH2 3.21Å; E272-R275 IonicContact OE2-NH1 3.63Å
276I94.9Very high90.8Very high20 Ų2045.6 Ų45.610%0.10323%0.23CC..EExtended strand (participates in β ladder)trans-103.8124.6177.7-62.5172.9000109R234 I235 E270 F271 H274 F430R234-I276 HydrophobicContact CB-CG2 3.95Å; R234-I276 HydrophobicContact CG-CG2 4.37Å; I235-I276 CarbonylContact O-C 3.54Å; I235-I276 WeakPolarHBondContact O-CA 3.16Å; E270-I276 CarbonylContact C-O 3.53Å; E270-I276 HydrophobicContact CB-CB 3.9Å; E270-I276 HydrophobicContact CB-CG2 4.29Å; E270-I276 PolarHBondContact O-N 3Å; F271-I276 WeakPolarHBondContact CA-O 3.42Å; F271-I276 PolarHBondContact N-O 3.39Å; H274-I276 HydrophobicContact CB-CB 4.39Å; H274-I276 HydrophobicContact CB-CD1 3.53Å; H274-I276 HydrophobicContact CB-CG1 3.69Å; H274-I276 PolarHBondContact O-N 3.11Å; I276-F430 HydrophobicContact CD1-CZ 3.89Å; I276-F430 HydrophobicContact CG1-CZ 3.97Å
277L95.1Very high90.9Very high0 Ų046.3 Ų46.30%024%0.235CC..EExtended strand (participates in β ladder)trans-92118.2168.7-52.7179000108.7R234 I235 L237 F262 V266 L268 F271 V288 M289R234-L277 WeakPolarHBondContact CA-O 3.27Å; I235-L277 HydrophobicContact CB-CB 4.27Å; I235-L277 PolarHBondContact N-O 3.24Å; I235-L277 PolarHBondContact O-N 3.39Å; L237-L277 HydrophobicContact CD1-CD1 4.08Å; L237-L277 HydrophobicContact CD1-CG 4.23Å; F262-L277 HydrophobicContact CD1-CD2 3.98Å; F262-L277 HydrophobicContact CE1-CD2 3.52Å; F262-L277 HydrophobicContact CZ-CD2 4.43Å; V266-L277 HydrophobicContact CG1-CB 4.01Å; V266-L277 HydrophobicContact CG1-CD2 4.06Å; L268-L277 HydrophobicContact CD2-CD2 4.21Å; F271-L277 HydrophobicContact CD2-CD2 3.4Å; F271-L277 VanDerWaalsContact CD2-CD2 3.4Å; F271-L277 HydrophobicContact CD2-CG 4.46Å; F271-L277 HydrophobicContact CE2-CD2 3.87Å; F271-L277 HydrophobicContact CG-CD2 4.23Å; L277-V288 HydrophobicContact CD1-CG1 3.94Å; L277-M289 HydrophobicContact CD1-CB 4.28Å; L277-M289 HydrophobicContact CD1-SD 4.03Å
278R94.9Very high91Very high82 Ų8243.8 Ų43.831%0.30922%0.221SC..EExtended strand (participates in β ladder)trans-103.6128.8175.9-178.6179.3173.9-171.4-2.8108.9E232 M233 R234 V266 N267E232-R278 HydrophobicContact CG-CG 4.33Å; E232-R278 IonicContact OE1-CZ 3.73Å; E232-R278 IonicContact OE1-NE 3.42Å; E232-R278 PolarHBondContact OE1-NE 3.32Å; E232-R278 IonicContact OE1-NH2 3.93Å; E232-R278 PolarHBondContact OE1-NH2 2.89Å; E232-R278 IonicContact OE2-CZ 2.96Å; E232-R278 IonicContact OE2-NE 2.66Å; E232-R278 PolarHBondContact OE2-NE 3.25Å; E232-R278 IonicContact OE2-NH2 3.07Å; M233-R278 WeakPolarHBondContact O-CA 3.49Å; R234-R278 HydrophobicContact CG-CG 4.44Å; V266-R278 CarbonylContact C-O 3.57Å; N267-R278 HydrophobicContact CB-CB 4.32Å; N267-R278 PolarHBondContact N-O 2.87Å; N267-R278 PolarHBondContact O-N 3.37Å
279L93.8Very high91.1Very high5 Ų540.4 Ų40.43%0.02620%0.204CC..EExtended strand (participates in β ladder)trans-153.5156.3179.763164.7000111.7L223 M233 I235 S265 V266 P281 L286 V288L223-L279 HydrophobicContact CD2-CD1 4.26Å; M233-L279 HydrophobicContact CB-CD2 4.46Å; M233-L279 HydrophobicContact CE-CD1 3.93Å; M233-L279 HydrophobicContact CE-CD2 3.64Å; M233-L279 HydrophobicContact CE-CG 3.84Å; M233-L279 PolarHBondContact N-O 3.07Å; M233-L279 PolarHBondContact O-N 2.95Å; I235-L279 HydrophobicContact CD1-CD2 3.94Å; I235-L279 HydrophobicContact CG1-CD2 4.19Å; S265-L279 WeakPolarHBondContact O-CB 3.14Å; V266-L279 HydrophobicContact CG2-CB 4.38Å; V266-L279 HydrophobicContact CG2-CD1 4.43Å; L279-P281 HydrophobicContact CD1-CB 4.3Å; L279-L286 HydrophobicContact CD1-CD2 4.04Å; L279-V288 HydrophobicContact CD1-CG1 4.07Å; L279-V288 HydrophobicContact CD1-CG2 3.9Å
280Q90.2Very high91.2Very high115 Ų11540 Ų4054%0.53719%0.193SC..  trans-104.998.7162.6-70.9176.1-13.100106.5E232E232-Q280 HydrophobicContact CB-CG 4.29Å
281P84.9Confident91.3Very high6 Ų638.6 Ų38.64%0.03919%0.186CC..PPolyproline II helixtrans-73.4139.6-175.431.4-33.2000110.3L223 S231 M233 L279L223-P281 HydrophobicContact CD2-CB 3.26Å; L223-P281 HydrophobicContact CD2-CG 3.93Å; S231-P281 VanDerWaalsContact O-CD 3.28Å; S231-P281 WeakPolarHBondContact O-CD 3.45Å; M233-P281 HydrophobicContact CB-CG 4.45Å; M233-P281 HydrophobicContact CE-CG 4.2Å; M233-P281 HydrophobicContact SD-CG 4.46Å; L279-P281 HydrophobicContact CD1-CB 4.3Å
282P84.4Confident91.4Very high37 Ų3740.9 Ų40.924%0.2420%0.197CC..PPolyproline II helixtrans-66.6161.8167.331.6-33000110E135 G284 L286E135-P282 WeakPolarHBondContact OE1-CA 3.33Å; P282-G284 PolarHBondContact O-N 2.8Å; P282-L286 HydrophobicContact CG-CD1 4.34Å
283Q85.3Confident91.7Very high9 Ų936.3 Ų36.34%0.04218%0.175CC..SBendtrans-63.4130.9168.1-140.9-169.9-14.300110.2E135 R138 V181E135-Q283 HydrophobicContact CG-CB 4.08Å; E135-Q283 PolarHBondContact OE1-N 3.22Å; R138-Q283 VanDerWaalsContact NH1-OE1 3.1Å; V181-Q283 HydrophobicContact CG1-CB 3.97Å; V181-Q283 VanDerWaalsContact CG1-CD 3.41Å; V181-Q283 HydrophobicContact CG1-CG 3.33Å; V181-Q283 PolarHBondContact O-NE2 3.44Å
284G87.7Confident91.8Very high1 Ų134.4 Ų34.41%0.0116%0.162CC..EExtended strand (participates in β ladder)trans104.6-160.4-179.600000115.3D99 V181 K224 S225 P282D99-G284 WeakPolarHBondContact OD1-CA 3.37Å; V181-G284 VanDerWaalsContact CG2-CA 3.44Å; K224-G284 WeakPolarHBondContact CA-O 3.04Å; S225-G284 PolarHBondContact N-O 2.85Å; S225-G284 PolarHBondContact O-N 2.89Å; P282-G284 PolarHBondContact O-N 2.8Å
285E90.1Very high91.3Very high60 Ų6035 Ų3528%0.2817%0.169SC..EExtended strand (participates in β ladder)trans-84.3131.6-175-173.2171.6171.100112.2T95 D99 R222 L223T95-E285 HydrophobicContact CG2-CB 3.92Å; T95-E285 HydrophobicContact CG2-CG 4.43Å; D99-E285 PolarHBondContact OD1-N 2.82Å; D99-E285 PolarHBondContact OD2-N 2.82Å; R222-E285 IonicContact NH1-OE1 2.79Å; L223-E285 CarbonylContact O-C 3.59Å; L223-E285 WeakPolarHBondContact O-CA 3.41Å
286L91.9Very high90.4Very high3 Ų339.6 Ų39.62%0.01620%0.195CC..EExtended strand (participates in β ladder)trans-139.2124.7179.5-177.174.4000110.1L223 H263 L279 P282 V288L223-L286 PolarHBondContact N-O 2.88Å; L223-L286 PolarHBondContact O-N 2.75Å; H263-L286 VanDerWaalsContact CE1-CD1 3.46Å; H263-L286 WeakPolarHBondContact CE1-CD1 3.29Å; H263-L286 WeakPolarHBondContact NE2-CD1 3.49Å; L279-L286 HydrophobicContact CD1-CD2 4.04Å; P282-L286 HydrophobicContact CG-CD1 4.34Å; L286-V288 HydrophobicContact CD2-CG2 4.2Å; L286-V288 PolarHBondContact O-N 3.43Å
287T94.8Very high89.6Confident31 Ų3140 Ų4019%0.1920%0.197CC..EExtended strand (participates in β ladder)trans-79.6106.7165.3-57.30000108.5E220 H263 R290E220-T287 HydrophobicContact CB-CG2 4.38Å; H263-T287 WeakPolarHBondContact CB-O 3.38Å; T287-R290 HydrophobicContact CG2-CG 3.75Å
288V96.1Very high88.7Confident0 Ų043 Ų430%022%0.216CC..EExtended strand (participates in β ladder)trans-74.7-43.1-174.4177.40000111.4I221 L223 I235 H263 V266 L277 L279 L286I221-V288 HydrophobicContact CG2-CB 4.38Å; I221-V288 PolarHBondContact O-N 2.88Å; L223-V288 HydrophobicContact CB-CG2 3.62Å; L223-V288 HydrophobicContact CD2-CG2 4.21Å; I235-V288 HydrophobicContact CD1-CG1 4.14Å; I235-V288 HydrophobicContact CD1-CG2 4.43Å; H263-V288 PolarHBondContact N-O 3.24Å; V266-V288 HydrophobicContact CG2-CG1 3.78Å; L277-V288 HydrophobicContact CD1-CG1 3.94Å; L279-V288 HydrophobicContact CD1-CG1 4.07Å; L279-V288 HydrophobicContact CD1-CG2 3.9Å; L286-V288 HydrophobicContact CD2-CG2 4.2Å; L286-V288 PolarHBondContact O-N 3.43Å
289M95.6Very high87.9Confident1 Ų140.9 Ų40.91%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-149.8141.5-173.8178.1-179.912300109.1E220 I221 L237 F241 V260 S261 F262 L277 Y291 L426E220-M289 WeakPolarHBondContact CA-O 3.2Å; I221-M289 HydrophobicContact CB-CB 4.32Å; I221-M289 HydrophobicContact CD1-CB 4.3Å; I221-M289 HydrophobicContact CD1-CE 4.14Å; I221-M289 HydrophobicContact CD1-SD 4.11Å; I221-M289 HydrophobicContact CG1-CB 4.4Å; I221-M289 PolarHBondContact N-O 3.18Å; L237-M289 HydrophobicContact CD1-CE 4.21Å; L237-M289 HydrophobicContact CD1-SD 3.93Å; F241-M289 HydrophobicContact CE1-CE 4.41Å; F241-M289 HydrophobicContact CE2-CE 3.94Å; F241-M289 HydrophobicContact CZ-CE 3.57Å; V260-M289 HydrophobicContact CG1-CE 4.33Å; V260-M289 HydrophobicContact CG1-CG 3.69Å; V260-M289 HydrophobicContact CG1-SD 4.01Å; S261-M289 CarbonylContact O-C 3.56Å; S261-M289 WeakPolarHBondContact O-CA 3.46Å; F262-M289 HydrophobicContact CD1-CB 4.12Å; F262-M289 HydrophobicContact CD1-CG 3.91Å; F262-M289 HydrophobicContact CD1-SD 4.26Å; F262-M289 HydrophobicContact CE1-CB 4.38Å; F262-M289 HydrophobicContact CE1-CG 3.78Å; F262-M289 HydrophobicContact CE1-SD 3.58Å; F262-M289 VanDerWaalsContact CE1-SD 3.58Å; F262-M289 HydrophobicContact CZ-SD 4.39Å; L277-M289 HydrophobicContact CD1-CB 4.28Å; L277-M289 HydrophobicContact CD1-SD 4.03Å; M289-Y291 HydrophobicContact CE-CD1 3.41Å; M289-Y291 VanDerWaalsContact CE-CD1 3.41Å; M289-Y291 HydrophobicContact CE-CE1 4.13Å; M289-Y291 HydrophobicContact CE-CG 3.94Å; M289-L426 HydrophobicContact CE-CD2 4.31Å
290R96.9Very high87.5Confident120 Ų12046.3 Ų46.345%0.45324%0.242SC..EExtended strand (participates in β ladder)trans-120.4143.5164.2-50.3-173.9165.9103.40.3109G219 E220 V260 S261 T287G219-R290 CarbonylContact O-C 3.56Å; G219-R290 VanDerWaalsContact O-CA 3.3Å; G219-R290 WeakPolarHBondContact O-CA 3.44Å; E220-R290 HydrophobicContact CG-CB 4.44Å; E220-R290 HydrophobicContact CG-CG 3.99Å; E220-R290 WeakPolarHBondContact OE1-CD 3.47Å; E220-R290 IonicContact OE1-CZ 2.69Å; E220-R290 IonicContact OE1-NE 3.52Å; E220-R290 PolarHBondContact OE1-NE 3.07Å; E220-R290 IonicContact OE1-NH2 3.86Å; V260-R290 CarbonylContact C-O 3.57Å; V260-R290 VanDerWaalsContact CA-O 3.31Å; V260-R290 WeakPolarHBondContact CA-O 3.42Å; V260-R290 WeakPolarHBondContact CG1-O 3.34Å; S261-R290 PolarHBondContact N-O 3.43Å; S261-R290 PolarHBondContact O-N 3.49Å; S261-R290 WeakPolarHBondContact OG-CB 3.46Å; T287-R290 HydrophobicContact CG2-CG 3.75Å
291Y94.8Very high87.5Confident7 Ų742 Ų423%0.02722%0.223CC..EExtended strand (participates in β ladder)trans-139.9152178.659.5-84000110.7E200 G219 I221 V257 E259 M289 L426E200-Y291 VanDerWaalsContact CG-OH 3.3Å; E200-Y291 WeakPolarHBondContact CG-OH 3.39Å; E200-Y291 PolarHBondContact OE1-OH 3.19Å; G219-Y291 VanDerWaalsContact CA-CZ 3.49Å; G219-Y291 PolarHBondContact N-O 3Å; G219-Y291 WeakPolarHBondContact O-CD1 3.33Å; G219-Y291 PolarHBondContact O-N 3.36Å; I221-Y291 HydrophobicContact CG1-CE1 4.42Å; V257-Y291 HydrophobicContact CG1-CD2 3.85Å; V257-Y291 HydrophobicContact CG1-CG 4.39Å; E259-Y291 CarbonylContact O-C 3.55Å; E259-Y291 VanDerWaalsContact O-CA 3.26Å; E259-Y291 WeakPolarHBondContact O-CA 3.17Å; M289-Y291 HydrophobicContact CE-CD1 3.41Å; M289-Y291 VanDerWaalsContact CE-CD1 3.41Å; M289-Y291 HydrophobicContact CE-CE1 4.13Å; M289-Y291 HydrophobicContact CE-CG 3.94Å; Y291-L426 HydrophobicContact CD1-CD2 4.18Å; Y291-L426 HydrophobicContact CE1-CD2 3.38Å; Y291-L426 HydrophobicContact CE2-CD2 4.28Å; Y291-L426 VanDerWaalsContact CZ-CD2 3.43Å; Y291-L426 WeakPolarHBondContact OH-CD2 3.39Å
292Q93.8Very high87.9Confident61 Ų6141.8 Ų41.829%0.28522%0.222SC..EExtended strand (participates in β ladder)trans-129.3141.1177.6-171.6172.5-8.600110.5D216 V217 Q218 V257 D258 E259D216-Q292 VanDerWaalsContact OD1-CG 3.31Å; D216-Q292 WeakPolarHBondContact OD1-CG 3.47Å; D216-Q292 PolarHBondContact OD1-NE2 2.65Å; D216-Q292 PolarHBondContact OD2-NE2 2.94Å; V217-Q292 WeakPolarHBondContact O-CA 3.48Å; Q218-Q292 HydrophobicContact CG-CG 4.4Å; V257-Q292 CarbonylContact C-O 3.57Å; V257-Q292 WeakPolarHBondContact CB-O 3.5Å; D258-Q292 PolarHBondContact N-O 3.42Å; E259-Q292 HydrophobicContact CB-CB 4.48Å; E259-Q292 PolarHBondContact N-O 3.13Å; E259-Q292 PolarHBondContact O-N 3.38Å
293L91.4Very high88.4Confident5 Ų540 Ų403%0.02621%0.21CC..EExtended strand (participates in β ladder)trans-132.6122.1177.1170.482.6000108.4D216 V217 R256 D296 L297D216-L293 CarbonylContact C-O 3.47Å; D216-L293 WeakPolarHBondContact CA-O 3.4Å; V217-L293 HydrophobicContact CB-CB 4.24Å; V217-L293 HydrophobicContact CB-CD2 4.37Å; V217-L293 HydrophobicContact CG2-CD2 4.43Å; V217-L293 PolarHBondContact N-O 3.17Å; V217-L293 PolarHBondContact O-N 2.83Å; R256-L293 WeakPolarHBondContact O-CD1 3.39Å; L293-D296 WeakPolarHBondContact CD1-O 3.4Å; L293-L297 HydrophobicContact CD2-CD2 3.53Å; L293-L297 HydrophobicContact CD2-CG 4.28Å
294S89.5Confident88.8Confident38 Ų3844.3 Ų44.327%0.26623%0.226SC..EExtended strand (participates in β ladder)trans-116.6144175-720000111.1V215 D216 D258 D296V215-S294 WeakPolarHBondContact O-CA 3.39Å; D216-S294 PolarHBondContact OD1-OG 2.99Å; D216-S294 VanDerWaalsContact OD1-OG 3.07Å; D258-S294 WeakPolarHBondContact OD2-CB 3.39Å; D258-S294 PolarHBondContact OD2-N 2.87Å; S294-D296 PolarHBondContact O-N 2.88Å
295D77.9Confident89.2Confident118 Ų11845 Ų4563%0.63123%0.23SC*.SBendtrans63.6-39.2170.9-60.3-34000118.2V215V215-D295 PolarHBondContact O-N 3.22Å
296D74.6Confident89.4Confident113 Ų11346.9 Ų46.960%0.60424%0.237SC*.  trans-105.976.2-173.6-165.118.5000112.6L293 S294L293-D296 WeakPolarHBondContact CD1-O 3.4Å; S294-D296 PolarHBondContact O-N 2.88Å
297L78.1Confident89.5Confident29 Ų2948.8 Ų48.815%0.15225%0.249CC..  trans-73.6126.9174.6-87.7177.5000111.6L202 V215 V217 L293 S299 L301 C423L202-L297 HydrophobicContact CD1-CD1 4.48Å; V215-L297 HydrophobicContact CB-CD1 4.33Å; V215-L297 HydrophobicContact CG1-CD1 4.34Å; V215-L297 HydrophobicContact CG1-CG 4.24Å; V215-L297 HydrophobicContact CG2-CD1 3.33Å; V215-L297 HydrophobicContact CG2-CG 3.79Å; V217-L297 HydrophobicContact CG2-CD2 3.78Å; L293-L297 HydrophobicContact CD2-CD2 3.53Å; L293-L297 HydrophobicContact CD2-CG 4.28Å; L297-S299 WeakPolarHBondContact CB-O 3.34Å; L297-S299 PolarHBondContact O-N 2.87Å; L297-L301 HydrophobicContact CD1-CD2 3.5Å; L297-L301 HydrophobicContact CD1-CG 4.37Å; L297-C423 HydrophobicContact CD2-CB 4.28Å
298P75.6Confident89.4Confident61 Ų6149.9 Ų49.940%0.39626%0.258SS..SBendtrans-71-14.7174.427.9-32.4000112.7S424P298-S424 WeakPolarHBondContact CG-O 3.19Å
299S78.5Confident89.1Confident38 Ų3851.9 Ų51.927%0.26627%0.27SS..SBendtrans-120.7153.6-179.2720000112.4L297 C423L297-S299 WeakPolarHBondContact CB-O 3.34Å; L297-S299 PolarHBondContact O-N 2.87Å; S299-C423 PolarHBondContact OG-O 2.62Å
300L84.6Confident88.8Confident119 Ų11957.2 Ų57.262%0.62330%0.295SS*.  trans-63.8145.8173.3-66.5173.9000110.4
301L91.3Very high88.2Confident24 Ų2454.9 Ų54.913%0.12629%0.287CS..  trans-56.9142.9172.5-69174.6000111.2L202 V204 I206 L212 V215 L297 F303L202-L301 HydrophobicContact CD2-CD2 4.34Å; V204-L301 HydrophobicContact CG1-CD1 3.94Å; V204-L301 HydrophobicContact CG1-CD2 4.35Å; V204-L301 HydrophobicContact CG2-CD2 3.63Å; I206-L301 HydrophobicContact CD1-CD1 4.11Å; I206-L301 HydrophobicContact CG1-CD1 4.46Å; L212-L301 HydrophobicContact CD1-CD1 3.73Å; L212-L301 HydrophobicContact CD2-CD1 4.28Å; V215-L301 HydrophobicContact CG2-CD2 4.24Å; L297-L301 HydrophobicContact CD1-CD2 3.5Å; L297-L301 HydrophobicContact CD1-CG 4.37Å; L301-F303 PolarHBondContact O-N 3.12Å
302P93Very high87.7Confident2 Ų258.7 Ų58.71%0.01331%0.307CS..SBendtrans-65-27-171.924.7-35000113.3L202 C326 D327 L328 F416 L418 Y456L202-P302 HydrophobicContact CD2-CG 4Å; P302-C326 CarbonylContact O-C 3.54Å; P302-C326 WeakPolarHBondContact O-CA 3.47Å; P302-D327 PolarHBondContact O-N 2.75Å; P302-L328 HydrophobicContact CB-CD2 3.89Å; P302-L328 HydrophobicContact CB-CG 4.18Å; P302-F416 HydrophobicContact CG-CE1 4.44Å; P302-F416 HydrophobicContact CG-CE2 3.97Å; P302-F416 HydrophobicContact CG-CZ 3.63Å; P302-L418 HydrophobicContact CB-CD1 3.76Å; P302-L418 HydrophobicContact CG-CD1 4.08Å; P302-Y456 HydrophobicContact CG-CE2 4.34Å
303F95.6Very high86.6Confident0 Ų066.3 Ų66.30%033%0.333CS..EExtended strand (participates in β ladder)trans-133.8151.5-176.2-67.2-74.1000112.6L301 L324 R325 C326 A334 V337 V375 L414 F416 L418 Y456L301-F303 PolarHBondContact O-N 3.12Å; F303-L324 HydrophobicContact CB-CD1 4.1Å; F303-L324 HydrophobicContact CD1-CD1 4.09Å; F303-L324 HydrophobicContact CD1-CD2 3.95Å; F303-L324 HydrophobicContact CD1-CG 3.94Å; F303-L324 HydrophobicContact CE1-CD2 4.12Å; F303-L324 HydrophobicContact CG-CD1 4.37Å; F303-R325 CarbonylContact C-O 3.58Å; F303-R325 VanDerWaalsContact CA-O 3.3Å; F303-R325 WeakPolarHBondContact CA-O 3.3Å; F303-C326 HydrophobicContact CD1-CB 4.16Å; F303-C326 HydrophobicContact CE1-CB 3.87Å; F303-A334 HydrophobicContact CE1-CB 4.45Å; F303-A334 HydrophobicContact CE2-CB 4.17Å; F303-A334 HydrophobicContact CZ-CB 3.48Å; F303-A334 VanDerWaalsContact CZ-CB 3.48Å; F303-V337 HydrophobicContact CE1-CG1 4.48Å; F303-V337 HydrophobicContact CE1-CG2 4.47Å; F303-V337 HydrophobicContact CE2-CG2 4.38Å; F303-V337 HydrophobicContact CZ-CG1 4.18Å; F303-V337 HydrophobicContact CZ-CG2 3.71Å; F303-V375 HydrophobicContact CE1-CB 4.43Å; F303-V375 HydrophobicContact CE1-CG1 4.31Å; F303-L414 HydrophobicContact CB-CD2 3.75Å; F303-L414 HydrophobicContact CD1-CD2 4.4Å; F303-L414 HydrophobicContact CD2-CD2 3.46Å; F303-L414 VanDerWaalsContact CD2-CD2 3.46Å; F303-L414 HydrophobicContact CE2-CD2 4.14Å; F303-L414 HydrophobicContact CG-CD2 3.61Å; F303-F416 AromaticContact CD2-CD1 3.81Å; F303-F416 HydrophobicContact CD2-CD1 3.81Å; F303-F416 AromaticContact CD2-CE1 3.82Å; F303-F416 HydrophobicContact CD2-CE1 3.82Å; F303-F416 HydrophobicContact CD2-CG 4.22Å; F303-F416 HydrophobicContact CD2-CZ 4.24Å; F303-F416 HydrophobicContact CE2-CB 4.03Å; F303-F416 AromaticContact CE2-CD1 3.69Å; F303-F416 HydrophobicContact CE2-CD1 3.69Å; F303-F416 HydrophobicContact CE2-CD2 4.02Å; F303-F416 HydrophobicContact CE2-CE1 4.09Å; F303-F416 HydrophobicContact CE2-CE2 4.41Å; F303-F416 AromaticContact CE2-CG 3.64Å; F303-F416 HydrophobicContact CE2-CG 3.64Å; F303-F416 HydrophobicContact CE2-CZ 4.43Å; F303-L418 HydrophobicContact CE2-CD2 4.4Å; F303-Y456 PolarHBondContact O-OH 2.81Å
304R93.8Very high85.6Confident99 Ų9969.7 Ų69.737%0.37437%0.369SS..EExtended strand (participates in β ladder)trans-133.2135.5162.5-63.2-174.4-145.8-178.84.4109.1F306 R325 D327R304-F306 HydrophobicContact CB-CE2 3.95Å; R304-F306 HydrophobicContact CB-CZ 4.15Å; R304-R325 PolarHBondContact N-O 3.13Å; R304-R325 PolarHBondContact O-N 3.49Å; R304-D327 IonicContact CZ-OD2 2.7Å; R304-D327 IonicContact NE-OD2 2.86Å; R304-D327 PolarHBondContact NE-OD2 2.7Å; R304-D327 IonicContact NH2-OD2 3.2Å; R304-D327 PolarHBondContact NH2-OD2 3.27Å
305L95.3Very high85.1Confident17 Ų1770.6 Ų70.69%0.08938%0.376CS..EExtended strand (participates in β ladder)trans-105.8131.7175.9-177.168.6000109.2P307 L322 L324 L339 A412 I458 I460L305-P307 WeakPolarHBondContact O-CD 3.45Å; L305-L322 HydrophobicContact CD1-CB 4.17Å; L305-L322 HydrophobicContact CD1-CD2 4.42Å; L305-L324 HydrophobicContact CB-CD1 4.43Å; L305-L324 HydrophobicContact CD1-CD1 4.26Å; L305-L339 HydrophobicContact CD1-CD1 3.76Å; L305-L339 HydrophobicContact CD2-CD1 3.92Å; L305-L339 HydrophobicContact CG-CD1 4.49Å; L305-A412 HydrophobicContact CD2-CB 3.83Å; L305-I458 HydrophobicContact CB-CD1 3.57Å; L305-I458 HydrophobicContact CB-CG2 4.29Å; L305-I458 HydrophobicContact CD2-CB 4.42Å; L305-I458 HydrophobicContact CD2-CD1 4.07Å; L305-I458 HydrophobicContact CD2-CG2 4.23Å; L305-I458 HydrophobicContact CG-CD1 4.48Å; L305-I460 HydrophobicContact CD2-CD1 4.29Å
306F94.8Very high85.1Confident99 Ų9965.7 Ų65.743%0.43435%0.353SS..EExtended strand (participates in β ladder)trans-113.791.7172.6-57-87.9000107.8R304 K323 R325R304-F306 HydrophobicContact CB-CE2 3.95Å; R304-F306 HydrophobicContact CB-CZ 4.15Å; F306-K323 HydrophobicContact CB-CB 4.24Å; F306-K323 PolarHBondContact N-O 2.79Å; F306-K323 PolarHBondContact O-N 2.79Å; F306-K323 VanDerWaalsContact O-N 3.1Å; F306-R325 HydrophobicContact CE2-CB 3.93Å
307P93.5Very high85.7Confident43 Ų4367.6 Ų67.628%0.27935%0.352SS..EExtended strand (participates in β ladder)trans-84145.9177.934.4-33.6000111L305 Y321 L322 I460L305-P307 WeakPolarHBondContact O-CD 3.45Å; P307-Y321 CarbonylContact C-O 3.58Å; P307-Y321 WeakPolarHBondContact CA-O 3.22Å; P307-L322 HydrophobicContact CB-CD2 3.86Å; P307-I460 HydrophobicContact CB-CD1 4Å; P307-I460 HydrophobicContact CB-CG1 4.22Å; P307-I460 HydrophobicContact CB-CG2 3.8Å; P307-I460 HydrophobicContact CG-CB 4.42Å; P307-I460 HydrophobicContact CG-CD1 4.46Å; P307-I460 HydrophobicContact CG-CG1 4.15Å; P307-I460 HydrophobicContact CG-CG2 3.96Å
308S92.6Very high86.3Confident53 Ų5366.3 Ų66.337%0.37135%0.345SS..EExtended strand (participates in β ladder)trans-135.1121.3167.5176.70000108.2Y321S308-Y321 PolarHBondContact N-O 3.14Å; S308-Y321 PolarHBondContact O-N 2.9Å
309V90.8Very high87Confident43 Ų4366.6 Ų66.626%0.26134%0.341SS..EExtended strand (participates in β ladder)trans-118.2124.6-175.2-177.70000108.9L318 V320 L407 L409 I460V309-L318 HydrophobicContact CG1-CD1 3.76Å; V309-V320 HydrophobicContact CG2-CG1 4.47Å; V309-L407 HydrophobicContact CG1-CD1 3.89Å; V309-L409 HydrophobicContact CB-CD1 4.35Å; V309-L409 HydrophobicContact CG1-CD1 3.58Å; V309-L409 HydrophobicContact CG2-CD1 3.9Å; V309-I460 HydrophobicContact CG2-CG2 3.83Å
310Q89.1Confident87.8Confident112 Ų11264.8 Ų64.852%0.52333%0.328SS..EExtended strand (participates in β ladder)trans-124.2131.9175-63.8178.21.400108.6Q319Q310-Q319 HydrophobicContact CB-CB 4.32Å; Q310-Q319 PolarHBondContact N-O 3.26Å; Q310-Q319 PolarHBondContact O-N 3.2Å
311W84.6Confident88.3Confident72 Ų7263.1 Ų63.127%0.27332%0.315SS..EExtended strand (participates in β ladder)trans-124.2118177.5-179.4-74.7000109.4L318 P344 V389 L407W311-L318 HydrophobicContact CE3-CB 3.57Å; W311-L318 HydrophobicContact CE3-CD1 3.7Å; W311-L318 HydrophobicContact CE3-CD2 4.34Å; W311-L318 HydrophobicContact CE3-CG 4.02Å; W311-L318 HydrophobicContact CZ3-CB 3.63Å; W311-L318 HydrophobicContact CZ3-CD1 4.29Å; W311-L318 HydrophobicContact CZ3-CD2 4.1Å; W311-L318 HydrophobicContact CZ3-CG 4.18Å; W311-P344 HydrophobicContact CZ3-CG 4.39Å; W311-V389 HydrophobicContact CH2-CB 3.36Å; W311-V389 HydrophobicContact CH2-CG1 3.64Å; W311-V389 HydrophobicContact CH2-CG2 3.49Å; W311-V389 VanDerWaalsContact CH2-CG2 3.49Å; W311-V389 HydrophobicContact CZ2-CB 4.08Å; W311-V389 HydrophobicContact CZ2-CG1 4.43Å; W311-V389 HydrophobicContact CZ3-CB 4.1Å; W311-V389 HydrophobicContact CZ3-CG2 3.68Å; W311-L407 HydrophobicContact CB-CD2 3.59Å; W311-L407 HydrophobicContact CD2-CD2 3.98Å; W311-L407 HydrophobicContact CE3-CD2 3.97Å; W311-L407 HydrophobicContact CG-CD2 3.81Å
312D82.5Confident88.5Confident86 Ų8662 Ų6246%0.4631%0.309SS..EExtended strand (participates in β ladder)trans-93.4104.2170.9-179.611.4000110G314 S315 G316 R317D312-G314 PolarHBondContact O-N 3.2Å; D312-G314 PolarHBondContact OD1-N 3.42Å; D312-S315 WeakPolarHBondContact CB-OG 3.45Å; D312-S315 PolarHBondContact O-N 3.07Å; D312-S315 VanDerWaalsContact OD2-CB 3.26Å; D312-S315 WeakPolarHBondContact OD2-CB 3.46Å; D312-S315 PolarHBondContact OD2-N 2.88Å; D312-S315 PolarHBondContact OD2-OG 2.86Å; D312-G316 WeakPolarHBondContact O-CA 3.3Å; D312-G316 PolarHBondContact O-N 3.41Å; D312-R317 PolarHBondContact N-O 2.93Å; D312-R317 PolarHBondContact O-N 2.86Å
313R70.6Confident88.7Confident221 Ų22165 Ų6583%0.83432%0.322SS*.THydrogen-bonded Turntrans-65.8-24.7179.1-64.1-173.7177.7-177.5-0.9112.7
314G72.4Confident88.8Confident76 Ų7665.1 Ų65.178%0.78432%0.322SS*.THydrogen-bonded Turntrans-75.8-40-178.900000112.6D312D312-G314 PolarHBondContact O-N 3.2Å; D312-G314 PolarHBondContact OD1-N 3.42Å
315S77.4Confident88.9Confident58 Ų5864.8 Ų64.841%0.40632%0.321SS..THydrogen-bonded Turntrans-97.3-10179.464.60000114.4D312 R317D312-S315 WeakPolarHBondContact CB-OG 3.45Å; D312-S315 PolarHBondContact O-N 3.07Å; D312-S315 VanDerWaalsContact OD2-CB 3.26Å; D312-S315 WeakPolarHBondContact OD2-CB 3.46Å; D312-S315 PolarHBondContact OD2-N 2.88Å; D312-S315 PolarHBondContact OD2-OG 2.86Å; S315-R317 PolarHBondContact O-N 2.79Å; S315-R317 WeakPolarHBondContact OG-CB 3.48Å; S315-R317 WeakPolarHBondContact OG-CG 3.44Å; S315-R317 PolarHBondContact OG-N 2.78Å
316G79.4Confident88.9Confident15 Ų1564 Ų6416%0.15532%0.317CS..THydrogen-bonded Turntrans69.518.2-173.900000113D312 V389D312-G316 WeakPolarHBondContact O-CA 3.3Å; D312-G316 PolarHBondContact O-N 3.41Å; G316-V389 PolarHBondContact O-N 2.82Å
317R86.8Confident88.9Confident153 Ų15360.6 Ų60.658%0.57730%0.303SS*.EExtended strand (participates in β ladder)trans-92.6124.5-178-68.2-178176.3-166.71.6111.1D312 S315 M387 D388D312-R317 PolarHBondContact N-O 2.93Å; D312-R317 PolarHBondContact O-N 2.86Å; S315-R317 PolarHBondContact O-N 2.79Å; S315-R317 WeakPolarHBondContact OG-CB 3.48Å; S315-R317 WeakPolarHBondContact OG-CG 3.44Å; S315-R317 PolarHBondContact OG-N 2.78Å; R317-M387 WeakPolarHBondContact CA-O 3.36Å; R317-D388 IonicContact NE-OD1 3.85Å
318L89.2Confident88.9Confident1 Ų159 Ų591%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-99.5122.7169.6170.661.3000108.8V309 W311 V320 P344 Q386 M387 V389 L409V309-L318 HydrophobicContact CG1-CD1 3.76Å; W311-L318 HydrophobicContact CE3-CB 3.57Å; W311-L318 HydrophobicContact CE3-CD1 3.7Å; W311-L318 HydrophobicContact CE3-CD2 4.34Å; W311-L318 HydrophobicContact CE3-CG 4.02Å; W311-L318 HydrophobicContact CZ3-CB 3.63Å; W311-L318 HydrophobicContact CZ3-CD1 4.29Å; W311-L318 HydrophobicContact CZ3-CD2 4.1Å; W311-L318 HydrophobicContact CZ3-CG 4.18Å; L318-V320 HydrophobicContact CD1-CG2 3.81Å; L318-V320 HydrophobicContact CD2-CG2 4.14Å; L318-V320 HydrophobicContact CG-CG2 3.86Å; L318-P344 HydrophobicContact CD2-CG 4.23Å; L318-Q386 WeakPolarHBondContact O-CA 3.41Å; L318-M387 HydrophobicContact CB-CB 4.25Å; L318-M387 HydrophobicContact CD2-SD 3.88Å; L318-M387 HydrophobicContact CG-SD 4.45Å; L318-M387 PolarHBondContact N-O 2.97Å; L318-M387 PolarHBondContact O-N 2.93Å; L318-V389 HydrophobicContact CB-CG2 4.26Å; L318-L409 HydrophobicContact CD2-CD2 4.5Å
319Q92.1Very high88.8Confident67 Ų6760 Ų6031%0.31330%0.297SS..EExtended strand (participates in β ladder)trans-114.3115.4174.9-176.2173.2-23.800109.1Q310 L384 F385 Q386Q310-Q319 HydrophobicContact CB-CB 4.32Å; Q310-Q319 PolarHBondContact N-O 3.26Å; Q310-Q319 PolarHBondContact O-N 3.2Å; Q319-L384 HydrophobicContact CG-CD1 3.57Å; Q319-F385 WeakPolarHBondContact CA-O 3.41Å; Q319-Q386 HydrophobicContact CG-CG 4.3Å
320V93.8Very high88.9Confident0 Ų062.3 Ų62.30%032%0.316CS..EExtended strand (participates in β ladder)trans-113.9113.5177.4-1760000108.2V309 L318 L322 L341 F385 M387V309-V320 HydrophobicContact CG2-CG1 4.47Å; L318-V320 HydrophobicContact CD1-CG2 3.81Å; L318-V320 HydrophobicContact CD2-CG2 4.14Å; L318-V320 HydrophobicContact CG-CG2 3.86Å; V320-L322 HydrophobicContact CG1-CD1 4.44Å; V320-L322 HydrophobicContact CG1-CD2 3.66Å; V320-L322 HydrophobicContact CG1-CG 3.84Å; V320-L341 HydrophobicContact CG1-CD2 3.94Å; V320-F385 HydrophobicContact CB-CB 4.42Å; V320-F385 PolarHBondContact N-O 3.34Å; V320-F385 WeakPolarHBondContact O-CD2 3.44Å; V320-F385 PolarHBondContact O-N 3.02Å; V320-M387 HydrophobicContact CB-CE 4.02Å; V320-M387 HydrophobicContact CG2-CE 3.75Å
321Y95.8Very high89Confident85 Ų8566.2 Ų66.233%0.33333%0.331SS..EExtended strand (participates in β ladder)trans-100.5120.9169.6177.8-101.5000109.2P307 S308 K323 S382 L384P307-Y321 CarbonylContact C-O 3.58Å; P307-Y321 WeakPolarHBondContact CA-O 3.22Å; S308-Y321 PolarHBondContact N-O 3.14Å; S308-Y321 PolarHBondContact O-N 2.9Å; Y321-K323 HydrophobicContact CE1-CB 3.88Å; Y321-S382 VanDerWaalsContact OH-CB 3.25Å; Y321-S382 WeakPolarHBondContact OH-CB 3.45Å; Y321-S382 PolarHBondContact OH-OG 2.81Å; Y321-L384 HydrophobicContact CD2-CB 4.23Å; Y321-L384 HydrophobicContact CD2-CD1 4.22Å
322L96.3Very high89.4Confident0 Ų064 Ų640%033%0.326CS..EExtended strand (participates in β ladder)trans-114.6126.4177.4-59.4-177.4000109.3L305 P307 V320 L339 L341 L368 W370 S382 G383 F385 I460L305-L322 HydrophobicContact CD1-CB 4.17Å; L305-L322 HydrophobicContact CD1-CD2 4.42Å; P307-L322 HydrophobicContact CB-CD2 3.86Å; V320-L322 HydrophobicContact CG1-CD1 4.44Å; V320-L322 HydrophobicContact CG1-CD2 3.66Å; V320-L322 HydrophobicContact CG1-CG 3.84Å; L322-L339 HydrophobicContact CD1-CD1 4.17Å; L322-L339 HydrophobicContact CD1-CD2 3.65Å; L322-L341 HydrophobicContact CD1-CD2 4.23Å; L322-L368 HydrophobicContact CD1-CD2 4.24Å; L322-W370 HydrophobicContact CB-CE3 4.36Å; L322-W370 HydrophobicContact CB-CZ3 3.91Å; L322-W370 HydrophobicContact CD1-CE3 4.36Å; L322-S382 CarbonylContact O-C 3.48Å; L322-S382 WeakPolarHBondContact O-CA 3.33Å; L322-S382 WeakPolarHBondContact O-CB 3.45Å; L322-G383 PolarHBondContact N-O 3.12Å; L322-G383 PolarHBondContact O-N 2.81Å; L322-F385 HydrophobicContact CB-CE2 4.15Å; L322-F385 HydrophobicContact CD1-CD2 4.27Å; L322-F385 HydrophobicContact CD1-CE2 3.88Å; L322-F385 HydrophobicContact CG-CD2 4.26Å; L322-F385 HydrophobicContact CG-CE2 4.05Å; L322-I460 HydrophobicContact CD2-CD1 4.35Å
323K96.7Very high89.9Confident66 Ų6661.6 Ų61.629%0.28731%0.312SS..EExtended strand (participates in β ladder)trans-118.8112.9171.5177.7178.2-179.4176.50109.9F306 Y321 L381F306-K323 HydrophobicContact CB-CB 4.24Å; F306-K323 PolarHBondContact N-O 2.79Å; F306-K323 PolarHBondContact O-N 2.79Å; F306-K323 VanDerWaalsContact O-N 3.1Å; Y321-K323 HydrophobicContact CE1-CB 3.88Å; K323-L381 CarbonylContact C-O 3.53Å; K323-L381 WeakPolarHBondContact CA-O 3.43Å
324L96.8Very high91.1Very high1 Ų151.1 Ų51.11%0.00527%0.273CS..EExtended strand (participates in β ladder)trans-98.9119.9177.9-170.871.4000109.7F303 L305 V337 W370 L372 Q380 L381 L414F303-L324 HydrophobicContact CB-CD1 4.1Å; F303-L324 HydrophobicContact CD1-CD1 4.09Å; F303-L324 HydrophobicContact CD1-CD2 3.95Å; F303-L324 HydrophobicContact CD1-CG 3.94Å; F303-L324 HydrophobicContact CE1-CD2 4.12Å; F303-L324 HydrophobicContact CG-CD1 4.37Å; L305-L324 HydrophobicContact CB-CD1 4.43Å; L305-L324 HydrophobicContact CD1-CD1 4.26Å; L324-V337 HydrophobicContact CD2-CG1 4.01Å; L324-W370 HydrophobicContact CB-CH2 4.2Å; L324-W370 HydrophobicContact CB-CZ3 4.09Å; L324-L372 HydrophobicContact CD2-CD1 3.45Å; L324-L372 VanDerWaalsContact CD2-CD1 3.45Å; L324-Q380 WeakPolarHBondContact O-CA 3.24Å; L324-L381 PolarHBondContact N-O 2.82Å; L324-L381 PolarHBondContact O-N 2.97Å; L324-L414 HydrophobicContact CD1-CD1 4.46Å; L324-L414 HydrophobicContact CD1-CD2 4.35Å; L324-L414 HydrophobicContact CD2-CD1 4.32Å
325R95.9Very high92.2Very high92 Ų9249.6 Ų49.635%0.34725%0.246SC..EExtended strand (participates in β ladder)trans-102.9131174.1176.5176.5172.1167.7-4.3109.6F303 R304 F306 D327 Q380F303-R325 CarbonylContact C-O 3.58Å; F303-R325 VanDerWaalsContact CA-O 3.3Å; F303-R325 WeakPolarHBondContact CA-O 3.3Å; R304-R325 PolarHBondContact N-O 3.13Å; R304-R325 PolarHBondContact O-N 3.49Å; F306-R325 HydrophobicContact CE2-CB 3.93Å; R325-D327 IonicContact CZ-OD1 3.04Å; R325-D327 IonicContact NE-OD1 2.69Å; R325-D327 PolarHBondContact NE-OD1 2.97Å; R325-D327 IonicContact NH2-OD1 3.25Å; R325-D327 PolarHBondContact NH2-OD1 3.08Å; R325-Q380 HydrophobicContact CB-CG 3.95Å; R325-Q380 HydrophobicContact CG-CG 3.86Å
326C95.8Very high93Very high0 Ų051 Ų510%025%0.249CC..EExtended strand (participates in β ladder)trans-97.2113.6173.4-174.50000109.5P302 F303 L328 V375 Q376 G378 S379P302-C326 CarbonylContact O-C 3.54Å; P302-C326 WeakPolarHBondContact O-CA 3.47Å; F303-C326 HydrophobicContact CD1-CB 4.16Å; F303-C326 HydrophobicContact CE1-CB 3.87Å; C326-L328 VanDerWaalsContact C-N 3.33Å; C326-V375 HydrophobicContact CB-CG1 3.64Å; C326-Q376 WeakPolarHBondContact CB-O 3.08Å; C326-G378 VanDerWaalsContact O-CA 3.24Å; C326-G378 WeakPolarHBondContact O-CA 3.19Å; C326-G378 PolarHBondContact O-N 2.99Å; C326-S379 PolarHBondContact N-O 2.79Å
327D94.1Very high93.8Very high28 Ų2850.2 Ų50.215%0.1524%0.242CC..  trans-94.511.9-178.5-78.6-26.4000113.1P302 R304 R325P302-D327 PolarHBondContact O-N 2.75Å; R304-D327 IonicContact CZ-OD2 2.7Å; R304-D327 IonicContact NE-OD2 2.86Å; R304-D327 PolarHBondContact NE-OD2 2.7Å; R304-D327 IonicContact NH2-OD2 3.2Å; R304-D327 PolarHBondContact NH2-OD2 3.27Å; R325-D327 IonicContact CZ-OD1 3.04Å; R325-D327 IonicContact NE-OD1 2.69Å; R325-D327 PolarHBondContact NE-OD1 2.97Å; R325-D327 IonicContact NH2-OD1 3.25Å; R325-D327 PolarHBondContact NH2-OD1 3.08Å
328L93.6Very high94.3Very high9 Ų949.7 Ų49.75%0.04724%0.24CC..SBendtrans-64155.1170-63.9174.4000111.5P302 C326 A334 G377 G378 L418P302-L328 HydrophobicContact CB-CD2 3.89Å; P302-L328 HydrophobicContact CB-CG 4.18Å; C326-L328 VanDerWaalsContact C-N 3.33Å; L328-A334 HydrophobicContact CD1-CB 4.13Å; L328-G377 CarbonylContact O-C 3.57Å; L328-G377 WeakPolarHBondContact O-CA 3.37Å; L328-G378 PolarHBondContact O-N 2.89Å; L328-G378 VanDerWaalsContact O-N 3.15Å; L328-L418 HydrophobicContact CD1-CD2 3.69Å; L328-L418 HydrophobicContact CD2-CD1 4.24Å
329P92.1Very high94.6Very high75 Ų7549.7 Ų49.749%0.48724%0.24SC..  trans-54.1145.2171.6-24.833.9000111.7K331 S332P329-K331 PolarHBondContact O-N 3.43Å; P329-S332 WeakPolarHBondContact O-CA 3.18Å; P329-S332 WeakPolarHBondContact O-CB 3.16Å; P329-S332 PolarHBondContact O-N 2.77Å
330S91.6Very high94.8Very high92 Ų9249.8 Ų49.864%0.64324%0.24SC*.THydrogen-bonded Turntrans-61.6-14-176.159.10000115.4Q376 G377S330-Q376 PolarHBondContact O-NE2 3.36Å; S330-G377 WeakPolarHBondContact CA-O 3.41Å
331K91.3Very high94.8Very high194 Ų19449.8 Ų49.884%0.84324%0.24SC*.THydrogen-bonded Turntrans-87.8-12.9173.5-64.3179.7-179.8177.10113.2P329P329-K331 PolarHBondContact O-N 3.43Å
332S92.7Very high94.7Very high24 Ų2447.7 Ų47.717%0.16824%0.237CC..  trans-96.5159.2-179.2-60.90000110.5P329 Q376 G377P329-S332 WeakPolarHBondContact O-CA 3.18Å; P329-S332 WeakPolarHBondContact O-CB 3.16Å; P329-S332 PolarHBondContact O-N 2.77Å; S332-Q376 PolarHBondContact O-NE2 2.89Å; S332-G377 PolarHBondContact O-N 3.19Å
333Q93.6Very high94.4Very high37 Ų3748.4 Ų48.417%0.17324%0.24CC..EExtended strand (participates in β ladder)trans-140144.6176.463.9-173.5-14.400108.5L335 R374 V375Q333-L335 HydrophobicContact CG-CD2 4.29Å; Q333-R374 VanDerWaalsContact OE1-CZ 3.25Å; Q333-V375 WeakPolarHBondContact CA-O 3.36Å
334A95.3Very high93.8Very high0 Ų046 Ų460%023%0.232CC..EExtended strand (participates in β ladder)trans-96.2144.2166.400000109.5F303 L328 V337 R374 V375 L418F303-A334 HydrophobicContact CE1-CB 4.45Å; F303-A334 HydrophobicContact CE2-CB 4.17Å; F303-A334 HydrophobicContact CZ-CB 3.48Å; F303-A334 VanDerWaalsContact CZ-CB 3.48Å; L328-A334 HydrophobicContact CD1-CB 4.13Å; A334-V337 HydrophobicContact CB-CG2 3.65Å; A334-R374 WeakPolarHBondContact O-CA 3.4Å; A334-V375 PolarHBondContact N-O 2.87Å; A334-V375 PolarHBondContact O-N 3.36Å; A334-L418 HydrophobicContact CB-CD2 3.54Å
335L95.4Very high93.1Very high45 Ų4557.5 Ų57.524%0.23628%0.275CS..EExtended strand (participates in β ladder)trans-118.3155.7179.5-57.9-179.8000110.1Q333 V337 R374 E417 P419Q333-L335 HydrophobicContact CG-CD2 4.29Å; L335-V337 PolarHBondContact O-N 2.67Å; L335-V337 VanDerWaalsContact O-N 3.12Å; L335-R374 HydrophobicContact CD2-CB 4.48Å; L335-R374 HydrophobicContact CD2-CG 4.31Å; L335-E417 PolarHBondContact N-O 2.8Å; L335-E417 PolarHBondContact O-N 3.1Å; L335-P419 HydrophobicContact CD1-CG 3.92Å; L335-P419 HydrophobicContact CG-CG 4.22Å
336N94.5Very high92.2Very high86 Ų8655.3 Ų55.346%0.4628%0.281SS..EExtended strand (participates in β ladder)trans51.539.4173.1-58.2-38.2000112.3R338 P373 E417N336-R338 PolarHBondContact O-N 3.06Å; N336-P373 PolarHBondContact N-O 3.03Å; N336-E417 PolarHBondContact ND2-OE2 2.92Å
337V96.9Very high91.7Very high0 Ų056.4 Ų56.40%029%0.287CS..EExtended strand (participates in β ladder)trans-75.1125.8-179.5-1780000107.6F303 L324 A334 L335 L372 V375 L414 S415 F416F303-V337 HydrophobicContact CE1-CG1 4.48Å; F303-V337 HydrophobicContact CE1-CG2 4.47Å; F303-V337 HydrophobicContact CE2-CG2 4.38Å; F303-V337 HydrophobicContact CZ-CG1 4.18Å; F303-V337 HydrophobicContact CZ-CG2 3.71Å; L324-V337 HydrophobicContact CD2-CG1 4.01Å; A334-V337 HydrophobicContact CB-CG2 3.65Å; L335-V337 PolarHBondContact O-N 2.67Å; L335-V337 VanDerWaalsContact O-N 3.12Å; V337-L372 HydrophobicContact CB-CB 3.89Å; V337-L372 WeakPolarHBondContact CB-O 3.43Å; V337-L372 HydrophobicContact CG1-CB 4.29Å; V337-L372 HydrophobicContact CG1-CD1 4.11Å; V337-L372 PolarHBondContact N-O 3.45Å; V337-L372 CarbonylContact O-C 3.59Å; V337-L372 WeakPolarHBondContact O-CA 3.43Å; V337-L372 WeakPolarHBondContact O-CB 3.37Å; V337-L372 PolarHBondContact O-N 2.95Å; V337-V375 HydrophobicContact CB-CG2 4.15Å; V337-V375 HydrophobicContact CG2-CG2 3.89Å; V337-L414 HydrophobicContact CG1-CD1 3.84Å; V337-L414 HydrophobicContact CG1-CG 4.3Å; V337-S415 CarbonylContact C-O 3.53Å; V337-S415 VanDerWaalsContact CA-O 3.26Å; V337-S415 WeakPolarHBondContact CA-O 3.49Å; V337-F416 HydrophobicContact CB-CB 4.34Å; V337-F416 HydrophobicContact CG1-CB 4.42Å; V337-F416 HydrophobicContact CG2-CB 3.83Å
338R96.3Very high91.2Very high141 Ų14159.7 Ų59.753%0.53231%0.308SS..EExtended strand (participates in β ladder)trans-135.8127.6178.7-50.6179.4-76.1-176.8-5.6109.6N336 W370 D371 L414 S415N336-R338 PolarHBondContact O-N 3.06Å; R338-W370 WeakPolarHBondContact CA-O 3.4Å; R338-D371 WeakPolarHBondContact CD-OD1 3.41Å; R338-D371 WeakPolarHBondContact CG-OD1 3.48Å; R338-L414 CarbonylContact O-C 3.51Å; R338-L414 WeakPolarHBondContact O-CA 3.45Å; R338-S415 WeakPolarHBondContact CB-OG 3.39Å; R338-S415 PolarHBondContact N-O 3.4Å; R338-S415 PolarHBondContact NE-OG 3.49Å; R338-S415 VanDerWaalsContact NE-OG 3.13Å; R338-S415 PolarHBondContact O-N 3.11Å
339L96.6Very high90.9Very high2 Ų261 Ų611%0.0132%0.318CS..EExtended strand (participates in β ladder)trans-103.3127.1174.8-177.1152.2000109.1L305 L322 L341 R369 W370 A412 S413 L414L305-L339 HydrophobicContact CD1-CD1 3.76Å; L305-L339 HydrophobicContact CD2-CD1 3.92Å; L305-L339 HydrophobicContact CG-CD1 4.49Å; L322-L339 HydrophobicContact CD1-CD1 4.17Å; L322-L339 HydrophobicContact CD1-CD2 3.65Å; L339-L341 HydrophobicContact CD2-CB 3.91Å; L339-R369 CarbonylContact O-C 3.57Å; L339-R369 WeakPolarHBondContact O-CA 3.48Å; L339-W370 HydrophobicContact CB-CB 4.32Å; L339-W370 HydrophobicContact CB-CE3 4.3Å; L339-W370 HydrophobicContact CD1-CE3 4.21Å; L339-W370 PolarHBondContact N-O 2.99Å; L339-W370 PolarHBondContact O-N 2.87Å; L339-A412 HydrophobicContact CD2-CB 4.43Å; L339-A412 HydrophobicContact CG-CB 4.41Å; L339-S413 CarbonylContact C-O 3.52Å; L339-S413 WeakPolarHBondContact CA-O 3.49Å; L339-L414 HydrophobicContact CB-CD1 3.86Å; L339-L414 HydrophobicContact CD1-CD1 4.41Å; L339-L414 HydrophobicContact CG-CD1 4.43Å
340H95.5Very high90.8Very high68 Ų6859.7 Ų59.732%0.31531%0.307SS..EExtended strand (participates in β ladder)trans-112.7117.1175.7177.1-88.9000109.1A367 L368 A412 S413H340-A367 WeakPolarHBondContact NE2-CB 3.28Å; H340-L368 WeakPolarHBondContact CA-O 3.42Å; H340-A412 CarbonylContact O-C 3.5Å; H340-A412 WeakPolarHBondContact O-CA 3.49Å; H340-S413 PolarHBondContact N-O 3.03Å; H340-S413 PolarHBondContact O-N 3.2Å
341L94.6Very high90.9Very high0 Ų058.2 Ų58.20%030%0.297CS..EExtended strand (participates in β ladder)trans-120109.2178.3173.858.5000109.7V320 L322 L339 L343 A367 L368 G410 A412 I460V320-L341 HydrophobicContact CG1-CD2 3.94Å; L322-L341 HydrophobicContact CD1-CD2 4.23Å; L339-L341 HydrophobicContact CD2-CB 3.91Å; L341-L343 HydrophobicContact CD2-CD2 4.4Å; L341-L343 HydrophobicContact CG-CD2 4.28Å; L341-L343 PolarHBondContact O-N 3.39Å; L341-A367 CarbonylContact O-C 3.53Å; L341-A367 WeakPolarHBondContact O-CA 3.49Å; L341-A367 WeakPolarHBondContact O-CB 3.26Å; L341-L368 HydrophobicContact CB-CB 4.28Å; L341-L368 HydrophobicContact CD2-CD2 4.49Å; L341-L368 PolarHBondContact N-O 2.84Å; L341-L368 PolarHBondContact O-N 2.93Å; L341-G410 WeakPolarHBondContact CD1-O 3.44Å; L341-A412 HydrophobicContact CD1-CB 4.33Å; L341-I460 HydrophobicContact CD1-CD1 3.6Å; L341-I460 HydrophobicContact CD2-CD1 4.12Å; L341-I460 HydrophobicContact CG-CD1 4.49Å
342P92.7Very high91Very high41 Ų4152.9 Ų52.927%0.26628%0.275SS..EExtended strand (participates in β ladder)trans-61.8129.3173-19.931.6000110.9G410 P411P342-G410 PolarHBondContact O-N 2.67Å; P342-G410 VanDerWaalsContact O-N 3.14Å; P342-P411 WeakPolarHBondContact CD-O 3.41Å
343L89.9Confident91.1Very high15 Ų1557.4 Ų57.48%0.07929%0.293CS..PPolyproline II helixtrans-102.9162.9-176.5-62173.6000111.8L341 V347 L363 G366 L368 M387 L409L341-L343 HydrophobicContact CD2-CD2 4.4Å; L341-L343 HydrophobicContact CG-CD2 4.28Å; L341-L343 PolarHBondContact O-N 3.39Å; L343-V347 HydrophobicContact CB-CG2 4.04Å; L343-V347 HydrophobicContact CD1-CG1 4.28Å; L343-V347 HydrophobicContact CD1-CG2 4.33Å; L343-L363 HydrophobicContact CD1-CD1 3.46Å; L343-L363 VanDerWaalsContact CD1-CD1 3.46Å; L343-G366 WeakPolarHBondContact CB-O 3.36Å; L343-G366 PolarHBondContact N-O 2.96Å; L343-L368 HydrophobicContact CD1-CB 4.01Å; L343-L368 HydrophobicContact CD2-CB 4.23Å; L343-L368 HydrophobicContact CG-CB 4.22Å; L343-M387 HydrophobicContact CD1-CE 4.35Å; L343-M387 HydrophobicContact CD1-SD 3.51Å; L343-M387 VanDerWaalsContact CD1-SD 3.51Å; L343-M387 HydrophobicContact CD2-CE 3.83Å; L343-M387 HydrophobicContact CD2-SD 3.61Å; L343-M387 HydrophobicContact CG-SD 4.16Å; L343-L409 HydrophobicContact CD2-CD2 3.86Å
344P85.1Confident91.3Very high16 Ų1658 Ų5810%0.10430%0.297CS..PPolyproline II helixtrans-62.1150.1174.1-19.334.5000110.8W311 L318 G346 V347 L407 L409W311-P344 HydrophobicContact CZ3-CG 4.39Å; L318-P344 HydrophobicContact CD2-CG 4.23Å; P344-G346 PolarHBondContact O-N 2.9Å; P344-V347 WeakPolarHBondContact O-CG2 3.32Å; P344-L407 WeakPolarHBondContact CG-O 3.43Å; P344-L409 HydrophobicContact CG-CD2 4.27Å; P344-L409 HydrophobicContact CG-CG 4.26Å
345R80.7Confident91.2Very high243 Ų24361 Ų6192%0.91732%0.318SS*.THydrogen-bonded Turntrans-61.6137.6175.5-65.4-175.7179.5-174.6-0.1109.9
346G78.6Confident91Very high45 Ų4560.5 Ų60.546%0.46432%0.319SS..THydrogen-bonded Turntrans96.44.9176.100000115.3P344 V348 P390P344-G346 PolarHBondContact O-N 2.9Å; G346-V348 PolarHBondContact O-N 2.89Å; G346-P390 WeakPolarHBondContact O-CD 3.43Å
347V84.8Confident90.7Very high23 Ų2362.5 Ų62.514%0.13934%0.336CS..  trans-60.8124.5167.21740000109.6L343 P344 L363 M387 V389L343-V347 HydrophobicContact CB-CG2 4.04Å; L343-V347 HydrophobicContact CD1-CG1 4.28Å; L343-V347 HydrophobicContact CD1-CG2 4.33Å; P344-V347 WeakPolarHBondContact O-CG2 3.32Å; V347-L363 HydrophobicContact CG1-CD1 4.09Å; V347-L363 HydrophobicContact CG1-CD2 3.89Å; V347-M387 HydrophobicContact CG1-CB 3.96Å; V347-M387 HydrophobicContact CG1-CG 4.15Å; V347-M387 HydrophobicContact CG1-SD 4.26Å; V347-M387 HydrophobicContact CG2-SD 4.43Å; V347-V389 HydrophobicContact CG2-CG2 3.65Å
348V82.9Confident90.4Very high97 Ų9768.2 Ų68.259%0.58836%0.363SS*.  trans-111.3-25.7-177.1-66.50000114G346 D388 P390G346-V348 PolarHBondContact O-N 2.89Å; V348-D388 HydrophobicContact CG2-CB 4.13Å; V348-D388 WeakPolarHBondContact CG2-O 3.13Å; V348-D388 PolarHBondContact N-O 2.81Å; V348-D388 VanDerWaalsContact N-O 3.1Å; V348-P390 HydrophobicContact CG1-CG 3.75Å; V348-P390 HydrophobicContact CG2-CG 3.98Å
349S87.6Confident90.2Very high37 Ų3762 Ų6226%0.25934%0.34SS..  trans-135.9152.5-174.666.50000111M387 D388S349-M387 WeakPolarHBondContact O-CA 3.3Å; S349-D388 VanDerWaalsContact OG-CB 3.28Å; S349-D388 WeakPolarHBondContact OG-CB 3.12Å; S349-D388 VanDerWaalsContact OG-CG 3.26Å; S349-D388 PolarHBondContact OG-N 2.85Å; S349-D388 PolarHBondContact OG-OD2 2.8Å
350L91.3Very high90.1Very high48 Ų4868.8 Ų68.825%0.25137%0.369SS..  trans-133.5116172.8177.567.5000108.7L363 L368 F385 M387L350-L363 HydrophobicContact CB-CB 4.23Å; L350-L363 HydrophobicContact CD2-CB 4.24Å; L350-L368 HydrophobicContact CD1-CD1 3.99Å; L350-L368 HydrophobicContact CD2-CD1 3.71Å; L350-F385 HydrophobicContact CD1-CB 3.94Å; L350-F385 HydrophobicContact CD1-CD1 4.11Å; L350-F385 HydrophobicContact CD1-CG 4.46Å; L350-M387 HydrophobicContact CD1-CE 4.26Å; L350-M387 HydrophobicContact CD1-CG 3.87Å
351S92.6Very high90.1Very high61 Ų6166.2 Ų66.243%0.42736%0.36SS..EExtended strand (participates in β ladder)trans-103.6142.2163.4172.70000108.6F385 Q386S351-F385 CarbonylContact O-C 3.47Å; S351-F385 WeakPolarHBondContact O-CA 3.46Å; S351-Q386 PolarHBondContact N-O 2.82Å; S351-Q386 PolarHBondContact O-N 3.24Å
352Q93.9Very high90.1Very high82 Ų8270.8 Ų70.838%0.38338%0.381SS..EExtended strand (participates in β ladder)trans-135.9139.8-174.465.1-175.8-21.500112.5L354 A361 L384 F385Q352-L354 HydrophobicContact CB-CD2 4.46Å; Q352-L354 HydrophobicContact CB-CG 4.47Å; Q352-L354 HydrophobicContact CG-CG 4.41Å; Q352-A361 PolarHBondContact OE1-O 3.12Å; Q352-L384 CarbonylContact C-O 3.54Å; Q352-L384 VanDerWaalsContact CA-O 3.29Å; Q352-L384 WeakPolarHBondContact CA-O 3.48Å; Q352-F385 HydrophobicContact CB-CD1 4.04Å; Q352-F385 HydrophobicContact CB-CE1 4.25Å
353E95.4Very high90Very high119 Ų11971.8 Ų71.856%0.55638%0.384SS*.EExtended strand (participates in β ladder)trans-123.6112.7166-53.5177.2175.400108.3G383 L384E353-G383 CarbonylContact O-C 3.58Å; E353-G383 WeakPolarHBondContact O-CA 3.37Å; E353-L384 HydrophobicContact CB-CB 4.15Å; E353-L384 PolarHBondContact N-O 2.91Å; E353-L384 PolarHBondContact O-N 3.1Å
354L95.8Very high89.9Confident50 Ų5072 Ų7226%0.26239%0.388SS..EExtended strand (participates in β ladder)trans-107.7144.2-172.3-58.3177.1000110.7Q352 S356 Q359 F385Q352-L354 HydrophobicContact CB-CD2 4.46Å; Q352-L354 HydrophobicContact CB-CG 4.47Å; Q352-L354 HydrophobicContact CG-CG 4.41Å; L354-S356 VanDerWaalsContact C-N 3.27Å; L354-S356 PolarHBondContact O-N 2.84Å; L354-Q359 HydrophobicContact CB-CB 4.25Å; L354-Q359 HydrophobicContact CD1-CB 3.79Å; L354-Q359 WeakPolarHBondContact CD1-O 3.48Å; L354-Q359 HydrophobicContact CG-CB 4.43Å; L354-F385 HydrophobicContact CD2-CE1 3.87Å; L354-F385 HydrophobicContact CD2-CZ 4.06Å
355S93.9Very high89.9Confident63 Ų6379.6 Ų79.644%0.44142%0.422SS..SBendtrans-76.6-10.2-178.573.90000114.5Q359 L381 S382S355-Q359 PolarHBondContact OG-NE2 2.77Å; S355-L381 WeakPolarHBondContact OG-CA 3.49Å; S355-S382 VanDerWaalsContact CB-O 3.29Å; S355-S382 WeakPolarHBondContact CB-O 3.18Å; S355-S382 PolarHBondContact N-O 3.16Å; S355-S382 PolarHBondContact OG-N 3.47Å; S355-S382 PolarHBondContact OG-O 3.31Å
356S92.3Very high90.1Very high34 Ų3470.3 Ų70.324%0.23840%0.402CS..SBendtrans-148.8144.3177.7167.30000110.7L354 E358 Q359L354-S356 VanDerWaalsContact C-N 3.27Å; L354-S356 PolarHBondContact O-N 2.84Å; S356-E358 VanDerWaalsContact C-N 3.27Å; S356-E358 PolarHBondContact O-N 2.86Å; S356-E358 PolarHBondContact OG-N 2.82Å; S356-Q359 WeakPolarHBondContact O-CB 3.45Å; S356-Q359 WeakPolarHBondContact O-CG 3.16Å; S356-Q359 PolarHBondContact O-N 2.94Å
357P88.2Confident90.7Very high128 Ų12868.3 Ų68.383%0.83138%0.381SS*.THydrogen-bonded Turntrans-70.7-17.3-178.529.7-37.5000114.4Q359P357-Q359 PolarHBondContact O-N 3.46Å
358E89.6Confident91.2Very high120 Ų12067.2 Ų67.256%0.56137%0.374SS*.THydrogen-bonded Turntrans-75-15.9177.2-65-177.4179.100112.7S356 P373S356-E358 VanDerWaalsContact C-N 3.27Å; S356-E358 PolarHBondContact O-N 2.86Å; S356-E358 PolarHBondContact OG-N 2.82Å; E358-P373 VanDerWaalsContact O-CD 3.3Å; E358-P373 WeakPolarHBondContact O-CD 3.45Å; E358-P373 WeakPolarHBondContact O-CG 3.4Å
359Q93.4Very high91.8Very high9 Ų965.9 Ų65.94%0.04236%0.359CS..  trans-76.8145.9179.4-51.5179.717.900110.1L354 S355 S356 P357 W370 D371 L372L354-Q359 HydrophobicContact CB-CB 4.25Å; L354-Q359 HydrophobicContact CD1-CB 3.79Å; L354-Q359 WeakPolarHBondContact CD1-O 3.48Å; L354-Q359 HydrophobicContact CG-CB 4.43Å; S355-Q359 PolarHBondContact OG-NE2 2.77Å; S356-Q359 WeakPolarHBondContact O-CB 3.45Å; S356-Q359 WeakPolarHBondContact O-CG 3.16Å; S356-Q359 PolarHBondContact O-N 2.94Å; P357-Q359 PolarHBondContact O-N 3.46Å; Q359-W370 VanDerWaalsContact OE1-CZ2 3.27Å; Q359-W370 VanDerWaalsContact OE1-NE1 3.1Å; Q359-D371 WeakPolarHBondContact CA-O 3.42Å; Q359-L372 HydrophobicContact CB-CD2 4.05Å; Q359-L372 HydrophobicContact CG-CD2 3.49Å; Q359-L372 VanDerWaalsContact CG-CD2 3.49Å
360K94.4Very high92.2Very high146 Ų14664.1 Ų64.164%0.63535%0.346SS*.EExtended strand (participates in β ladder)trans-133.9139172.4-63.4-178.7-178.8179.60108.5W370 D371K360-W370 CarbonylContact O-C 3.6Å; K360-D371 HydrophobicContact CB-CB 4.47Å; K360-D371 PolarHBondContact N-O 3.46Å; K360-D371 PolarHBondContact O-N 3.25Å
361A95Very high92.5Very high14 Ų1464.2 Ų64.212%0.11635%0.347CS..EExtended strand (participates in β ladder)trans-129.8145.1164.900000111.5Q352 L368 R369 W370 F385Q352-A361 PolarHBondContact OE1-O 3.12Å; A361-L368 HydrophobicContact CB-CD1 4Å; A361-R369 CarbonylContact C-O 3.46Å; A361-R369 WeakPolarHBondContact CA-O 3.14Å; A361-R369 WeakPolarHBondContact CB-O 3.32Å; A361-W370 HydrophobicContact CB-CB 4.27Å; A361-W370 HydrophobicContact CB-CG 4.49Å; A361-F385 HydrophobicContact CB-CD1 4.3Å; A361-F385 HydrophobicContact CB-CE1 3.49Å; A361-F385 VanDerWaalsContact CB-CE1 3.49Å; A361-F385 HydrophobicContact CB-CZ 4.24Å
362E94.1Very high92.6Very high96 Ų9661.5 Ų61.545%0.44933%0.328SS..EExtended strand (participates in β ladder)trans-137.2152.4179.163.5175.5-159.800110.5R369E362-R369 HydrophobicContact CG-CB 3.94Å; E362-R369 PolarHBondContact N-O 2.93Å; E362-R369 PolarHBondContact O-N 2.88Å; E362-R369 IonicContact OE1-NH1 2.74Å
363L91.6Very high92.6Very high61 Ų6160.7 Ų60.732%0.31933%0.33SS..EExtended strand (participates in β ladder)trans-93.7113.6168.3-179.368.5000107.7L343 V347 L350L343-L363 HydrophobicContact CD1-CD1 3.46Å; L343-L363 VanDerWaalsContact CD1-CD1 3.46Å; V347-L363 HydrophobicContact CG1-CD1 4.09Å; V347-L363 HydrophobicContact CG1-CD2 3.89Å; L350-L363 HydrophobicContact CB-CB 4.23Å; L350-L363 HydrophobicContact CD2-CB 4.24Å
364A87.3Confident92.6Very high20 Ų2061.5 Ų61.517%0.16533%0.328CS..EExtended strand (participates in β ladder)trans-137.8132.6-179.900000110.1G366 A367 R369A364-G366 PolarHBondContact O-N 2.84Å; A364-G366 VanDerWaalsContact O-N 3.11Å; A364-A367 PolarHBondContact N-O 3.04Å; A364-A367 PolarHBondContact O-N 2.98Å; A364-A367 VanDerWaalsContact O-O 3.12Å; A364-R369 VanDerWaalsContact CB-CZ 3.47Å
365E84Confident92.6Very high175 Ų17559.2 Ų59.282%0.81832%0.316SS*.THydrogen-bonded Turntrans54.631.2175.5-63.6164-156.700114.4A367 R369E365-A367 VanDerWaalsContact C-N 3.33Å; E365-R369 IonicContact OE1-NH2 3.33Å; E365-R369 PolarHBondContact OE1-NH2 3.02Å; E365-R369 IonicContact OE2-NH2 3.67Å; E365-R369 PolarHBondContact OE2-NH2 2.83Å
366G86.1Confident92.7Very high48 Ų4860 Ų6050%0.49531%0.313SS..THydrogen-bonded Turntrans76.418.1-178.200000114.4L343 A364L343-G366 WeakPolarHBondContact CB-O 3.36Å; L343-G366 PolarHBondContact N-O 2.96Å; A364-G366 PolarHBondContact O-N 2.84Å; A364-G366 VanDerWaalsContact O-N 3.11Å
367A91.4Very high92.8Very high3 Ų358.7 Ų58.73%0.02530%0.304CS..EExtended strand (participates in β ladder)trans-129.8150.6175.500000111.6H340 L341 A364 E365H340-A367 WeakPolarHBondContact NE2-CB 3.28Å; L341-A367 CarbonylContact O-C 3.53Å; L341-A367 WeakPolarHBondContact O-CA 3.49Å; L341-A367 WeakPolarHBondContact O-CB 3.26Å; A364-A367 PolarHBondContact N-O 3.04Å; A364-A367 PolarHBondContact O-N 2.98Å; A364-A367 VanDerWaalsContact O-O 3.12Å; E365-A367 VanDerWaalsContact C-N 3.33Å
368L94.4Very high93.1Very high0 Ų055.2 Ų55.20%029%0.292CS..EExtended strand (participates in β ladder)trans-80.9120.6167.1173.966.2000108.5L322 H340 L341 L343 L350 A361 F385 M387L322-L368 HydrophobicContact CD1-CD2 4.24Å; H340-L368 WeakPolarHBondContact CA-O 3.42Å; L341-L368 HydrophobicContact CB-CB 4.28Å; L341-L368 HydrophobicContact CD2-CD2 4.49Å; L341-L368 PolarHBondContact N-O 2.84Å; L341-L368 PolarHBondContact O-N 2.93Å; L343-L368 HydrophobicContact CD1-CB 4.01Å; L343-L368 HydrophobicContact CD2-CB 4.23Å; L343-L368 HydrophobicContact CG-CB 4.22Å; L350-L368 HydrophobicContact CD1-CD1 3.99Å; L350-L368 HydrophobicContact CD2-CD1 3.71Å; A361-L368 HydrophobicContact CB-CD1 4Å; L368-F385 HydrophobicContact CD1-CD1 3.85Å; L368-F385 HydrophobicContact CD1-CE1 4.07Å; L368-F385 HydrophobicContact CD1-CG 4.23Å; L368-F385 HydrophobicContact CD2-CB 4.15Å; L368-F385 HydrophobicContact CD2-CD1 3.99Å; L368-F385 HydrophobicContact CD2-CD2 3.48Å; L368-F385 VanDerWaalsContact CD2-CD2 3.48Å; L368-F385 HydrophobicContact CD2-CE1 4.26Å; L368-F385 HydrophobicContact CD2-CE2 3.79Å; L368-F385 HydrophobicContact CD2-CG 3.58Å; L368-F385 HydrophobicContact CD2-CZ 4.16Å; L368-M387 HydrophobicContact CD2-CE 4.29Å
369R95.6Very high93.4Very high69 Ų6951.1 Ų51.126%0.2628%0.276SS..EExtended strand (participates in β ladder)trans-105.9118.3170.3-63.4-178.2-176.1163-0.4108.5L339 A361 E362 A364 E365L339-R369 CarbonylContact O-C 3.57Å; L339-R369 WeakPolarHBondContact O-CA 3.48Å; A361-R369 CarbonylContact C-O 3.46Å; A361-R369 WeakPolarHBondContact CA-O 3.14Å; A361-R369 WeakPolarHBondContact CB-O 3.32Å; E362-R369 HydrophobicContact CG-CB 3.94Å; E362-R369 PolarHBondContact N-O 2.93Å; E362-R369 PolarHBondContact O-N 2.88Å; E362-R369 IonicContact OE1-NH1 2.74Å; A364-R369 VanDerWaalsContact CB-CZ 3.47Å; E365-R369 IonicContact OE1-NH2 3.33Å; E365-R369 PolarHBondContact OE1-NH2 3.02Å; E365-R369 IonicContact OE2-NH2 3.67Å; E365-R369 PolarHBondContact OE2-NH2 2.83Å
370W96.8Very high93.5Very high0 Ų054.7 Ų54.70%029%0.293CS..EExtended strand (participates in β ladder)trans-115.7107.8177.8-179.732.6000109.9L322 L324 R338 L339 Q359 K360 A361 L372 L381 F385L322-W370 HydrophobicContact CB-CE3 4.36Å; L322-W370 HydrophobicContact CB-CZ3 3.91Å; L322-W370 HydrophobicContact CD1-CE3 4.36Å; L324-W370 HydrophobicContact CB-CH2 4.2Å; L324-W370 HydrophobicContact CB-CZ3 4.09Å; R338-W370 WeakPolarHBondContact CA-O 3.4Å; L339-W370 HydrophobicContact CB-CB 4.32Å; L339-W370 HydrophobicContact CB-CE3 4.3Å; L339-W370 HydrophobicContact CD1-CE3 4.21Å; L339-W370 PolarHBondContact N-O 2.99Å; L339-W370 PolarHBondContact O-N 2.87Å; Q359-W370 VanDerWaalsContact OE1-CZ2 3.27Å; Q359-W370 VanDerWaalsContact OE1-NE1 3.1Å; K360-W370 CarbonylContact O-C 3.6Å; A361-W370 HydrophobicContact CB-CB 4.27Å; A361-W370 HydrophobicContact CB-CG 4.49Å; W370-L372 HydrophobicContact CD2-CD1 4.29Å; W370-L372 HydrophobicContact CD2-CD2 4.34Å; W370-L372 HydrophobicContact CD2-CG 4.32Å; W370-L372 HydrophobicContact CE3-CD1 4.39Å; W370-L372 HydrophobicContact CH2-CD1 4.35Å; W370-L372 HydrophobicContact CZ2-CD1 4.26Å; W370-L372 HydrophobicContact CZ2-CD2 3.77Å; W370-L372 HydrophobicContact CZ2-CG 4.44Å; W370-L372 HydrophobicContact CZ3-CD1 4.42Å; W370-L381 HydrophobicContact CH2-CB 4.5Å; W370-L381 HydrophobicContact CZ2-CB 4.4Å; W370-F385 HydrophobicContact CB-CZ 4.27Å; W370-F385 AromaticContact CD2-CZ 3.98Å; W370-F385 HydrophobicContact CD2-CZ 3.98Å; W370-F385 HydrophobicContact CE3-CZ 4.45Å; W370-F385 AromaticContact CG-CZ 3.9Å; W370-F385 HydrophobicContact CG-CZ 3.9Å
371D96.5Very high93.6Very high51 Ų5149 Ų4927%0.27327%0.269SS..EExtended strand (participates in β ladder)trans-94.4129.1-177.7-68.2-26.8000111.2R338 Q359 K360R338-D371 WeakPolarHBondContact CD-OD1 3.41Å; R338-D371 WeakPolarHBondContact CG-OD1 3.48Å; Q359-D371 WeakPolarHBondContact CA-O 3.42Å; K360-D371 HydrophobicContact CB-CB 4.47Å; K360-D371 PolarHBondContact N-O 3.46Å; K360-D371 PolarHBondContact O-N 3.25Å
372L95.8Very high93.7Very high3 Ų349.7 Ų49.72%0.01627%0.273CS..EExtended strand (participates in β ladder)trans-12987.1-176.7-63.6172.5000107.5L324 V337 Q359 W370 R374 V375 L381L324-L372 HydrophobicContact CD2-CD1 3.45Å; L324-L372 VanDerWaalsContact CD2-CD1 3.45Å; V337-L372 HydrophobicContact CB-CB 3.89Å; V337-L372 WeakPolarHBondContact CB-O 3.43Å; V337-L372 HydrophobicContact CG1-CB 4.29Å; V337-L372 HydrophobicContact CG1-CD1 4.11Å; V337-L372 PolarHBondContact N-O 3.45Å; V337-L372 CarbonylContact O-C 3.59Å; V337-L372 WeakPolarHBondContact O-CA 3.43Å; V337-L372 WeakPolarHBondContact O-CB 3.37Å; V337-L372 PolarHBondContact O-N 2.95Å; Q359-L372 HydrophobicContact CB-CD2 4.05Å; Q359-L372 HydrophobicContact CG-CD2 3.49Å; Q359-L372 VanDerWaalsContact CG-CD2 3.49Å; W370-L372 HydrophobicContact CD2-CD1 4.29Å; W370-L372 HydrophobicContact CD2-CD2 4.34Å; W370-L372 HydrophobicContact CD2-CG 4.32Å; W370-L372 HydrophobicContact CE3-CD1 4.39Å; W370-L372 HydrophobicContact CH2-CD1 4.35Å; W370-L372 HydrophobicContact CZ2-CD1 4.26Å; W370-L372 HydrophobicContact CZ2-CD2 3.77Å; W370-L372 HydrophobicContact CZ2-CG 4.44Å; W370-L372 HydrophobicContact CZ3-CD1 4.42Å; L372-R374 PolarHBondContact O-N 3.2Å; L372-R374 VanDerWaalsContact O-N 3.11Å; L372-V375 HydrophobicContact CB-CG2 3.89Å; L372-V375 HydrophobicContact CD1-CG2 4.32Å; L372-L381 HydrophobicContact CD2-CD1 3.76Å
373P93.9Very high93.8Very high65 Ų6545.1 Ų45.142%0.42225%0.252SS..EExtended strand (participates in β ladder)trans-56.1-35.1-172.2-27.635.1000113.7N336 E358N336-P373 PolarHBondContact N-O 3.03Å; E358-P373 VanDerWaalsContact O-CD 3.3Å; E358-P373 WeakPolarHBondContact O-CD 3.45Å; E358-P373 WeakPolarHBondContact O-CG 3.4Å
374R94.2Very high94Very high137 Ų13743.3 Ų43.352%0.51724%0.243SC..EExtended strand (participates in β ladder)trans-144.8137.1177.6-179178.5-75.2-176.1-5.3110.7Q333 A334 L335 L372Q333-R374 VanDerWaalsContact OE1-CZ 3.25Å; A334-R374 WeakPolarHBondContact O-CA 3.4Å; L335-R374 HydrophobicContact CD2-CB 4.48Å; L335-R374 HydrophobicContact CD2-CG 4.31Å; L372-R374 PolarHBondContact O-N 3.2Å; L372-R374 VanDerWaalsContact O-N 3.11Å
375V95.7Very high94.4Very high2 Ų242.4 Ų42.41%0.01224%0.235CC..EExtended strand (participates in β ladder)trans-132.6119.7172.9-169.20000109.5F303 C326 Q333 A334 V337 L372 L381F303-V375 HydrophobicContact CE1-CB 4.43Å; F303-V375 HydrophobicContact CE1-CG1 4.31Å; C326-V375 HydrophobicContact CB-CG1 3.64Å; Q333-V375 WeakPolarHBondContact CA-O 3.36Å; A334-V375 PolarHBondContact N-O 2.87Å; A334-V375 PolarHBondContact O-N 3.36Å; V337-V375 HydrophobicContact CB-CG2 4.15Å; V337-V375 HydrophobicContact CG2-CG2 3.89Å; L372-V375 HydrophobicContact CB-CG2 3.89Å; L372-V375 HydrophobicContact CD1-CG2 4.32Å; V375-L381 HydrophobicContact CG1-CD1 4.15Å; V375-L381 HydrophobicContact CG2-CD1 3.92Å
376Q95.7Very high94.8Very high80 Ų8037.4 Ų37.437%0.37421%0.211SC..EExtended strand (participates in β ladder)trans-74.8143.6179.6-169.764.223.700110.8C326 S330 S332 S379C326-Q376 WeakPolarHBondContact CB-O 3.08Å; S330-Q376 PolarHBondContact O-NE2 3.36Å; S332-Q376 PolarHBondContact O-NE2 2.89Å; Q376-S379 PolarHBondContact N-OG 3.15Å; Q376-S379 VanDerWaalsContact O-CB 3.3Å; Q376-S379 WeakPolarHBondContact O-CB 3.24Å; Q376-S379 PolarHBondContact O-N 3.25Å; Q376-S379 VanDerWaalsContact O-N 3.15Å; Q376-S379 PolarHBondContact O-OG 2.83Å
377G95.2Very high95.1Very high5 Ų535.1 Ų35.15%0.05219%0.188CC..THydrogen-bonded Turntrans-58.8137.8172.400000112.8L328 S330 S332 S379L328-G377 CarbonylContact O-C 3.57Å; L328-G377 WeakPolarHBondContact O-CA 3.37Å; S330-G377 WeakPolarHBondContact CA-O 3.41Å; S332-G377 PolarHBondContact O-N 3.19Å; G377-S379 PolarHBondContact O-N 2.69Å
378G94.2Very high94.9Very high56 Ų5638.1 Ų38.158%0.57720%0.204SC*.THydrogen-bonded Turntrans77.6-5.3-175.900000114.7C326 L328C326-G378 VanDerWaalsContact O-CA 3.24Å; C326-G378 WeakPolarHBondContact O-CA 3.19Å; C326-G378 PolarHBondContact O-N 2.99Å; L328-G378 PolarHBondContact O-N 2.89Å; L328-G378 VanDerWaalsContact O-N 3.15Å
379S95.7Very high94.4Very high34 Ų3438.4 Ų38.424%0.23821%0.205CC..  trans-84.3164.5177.475.80000112.7C326 Q376 G377C326-S379 PolarHBondContact N-O 2.79Å; Q376-S379 PolarHBondContact N-OG 3.15Å; Q376-S379 VanDerWaalsContact O-CB 3.3Å; Q376-S379 WeakPolarHBondContact O-CB 3.24Å; Q376-S379 PolarHBondContact O-N 3.25Å; Q376-S379 VanDerWaalsContact O-N 3.15Å; Q376-S379 PolarHBondContact O-OG 2.83Å; G377-S379 PolarHBondContact O-N 2.69Å
380Q95.6Very high93.3Very high84 Ų8439.2 Ų39.239%0.39322%0.22SC..EExtended strand (participates in β ladder)trans-132.6132.5175.2-63.2177.22.300108.9L324 R325L324-Q380 WeakPolarHBondContact O-CA 3.24Å; R325-Q380 HydrophobicContact CB-CG 3.95Å; R325-Q380 HydrophobicContact CG-CG 3.86Å
381L96.8Very high91.7Very high26 Ų2642 Ų4214%0.13625%0.248CC..EExtended strand (participates in β ladder)trans-120.2146174.8-60.8-179.8000108.7K323 L324 S355 W370 L372 V375K323-L381 CarbonylContact C-O 3.53Å; K323-L381 WeakPolarHBondContact CA-O 3.43Å; L324-L381 PolarHBondContact N-O 2.82Å; L324-L381 PolarHBondContact O-N 2.97Å; S355-L381 WeakPolarHBondContact OG-CA 3.49Å; W370-L381 HydrophobicContact CH2-CB 4.5Å; W370-L381 HydrophobicContact CZ2-CB 4.4Å; L372-L381 HydrophobicContact CD2-CD1 3.76Å; V375-L381 HydrophobicContact CG1-CD1 4.15Å; V375-L381 HydrophobicContact CG2-CD1 3.92Å
382S97Very high89.5Confident28 Ų2844.6 Ų44.620%0.19627%0.27CS..EExtended strand (participates in β ladder)trans-138.6147.5178.4610000112.1Y321 L322 S355Y321-S382 VanDerWaalsContact OH-CB 3.25Å; Y321-S382 WeakPolarHBondContact OH-CB 3.45Å; Y321-S382 PolarHBondContact OH-OG 2.81Å; L322-S382 CarbonylContact O-C 3.48Å; L322-S382 WeakPolarHBondContact O-CA 3.33Å; L322-S382 WeakPolarHBondContact O-CB 3.45Å; S355-S382 VanDerWaalsContact CB-O 3.29Å; S355-S382 WeakPolarHBondContact CB-O 3.18Å; S355-S382 PolarHBondContact N-O 3.16Å; S355-S382 PolarHBondContact OG-N 3.47Å; S355-S382 PolarHBondContact OG-O 3.31Å
383G96.6Very high87.2Confident0 Ų050.4 Ų50.40%031%0.308CS..EExtended strand (participates in β ladder)trans-130.1133.2171.300000110.1L322 E353 F385L322-G383 PolarHBondContact N-O 3.12Å; L322-G383 PolarHBondContact O-N 2.81Å; E353-G383 CarbonylContact O-C 3.58Å; E353-G383 WeakPolarHBondContact O-CA 3.37Å; G383-F385 WeakPolarHBondContact O-CE2 3.36Å
384L96.5Very high84.8Confident24 Ų2449.5 Ų49.513%0.12631%0.311CS..EExtended strand (participates in β ladder)trans-98.7123.7165.9-179.964.4000108.5Q319 Y321 Q352 E353Q319-L384 HydrophobicContact CG-CD1 3.57Å; Y321-L384 HydrophobicContact CD2-CB 4.23Å; Y321-L384 HydrophobicContact CD2-CD1 4.22Å; Q352-L384 CarbonylContact C-O 3.54Å; Q352-L384 VanDerWaalsContact CA-O 3.29Å; Q352-L384 WeakPolarHBondContact CA-O 3.48Å; E353-L384 HydrophobicContact CB-CB 4.15Å; E353-L384 PolarHBondContact N-O 2.91Å; E353-L384 PolarHBondContact O-N 3.1Å
385F94.9Very high82.3Confident0 Ų048.6 Ų48.60%032%0.323CS..EExtended strand (participates in β ladder)trans-119.1116.5-178.2-52.5-74.6000109.2Q319 V320 L322 L350 S351 Q352 L354 A361 L368 W370 G383 M387Q319-F385 WeakPolarHBondContact CA-O 3.41Å; V320-F385 HydrophobicContact CB-CB 4.42Å; V320-F385 PolarHBondContact N-O 3.34Å; V320-F385 WeakPolarHBondContact O-CD2 3.44Å; V320-F385 PolarHBondContact O-N 3.02Å; L322-F385 HydrophobicContact CB-CE2 4.15Å; L322-F385 HydrophobicContact CD1-CD2 4.27Å; L322-F385 HydrophobicContact CD1-CE2 3.88Å; L322-F385 HydrophobicContact CG-CD2 4.26Å; L322-F385 HydrophobicContact CG-CE2 4.05Å; L350-F385 HydrophobicContact CD1-CB 3.94Å; L350-F385 HydrophobicContact CD1-CD1 4.11Å; L350-F385 HydrophobicContact CD1-CG 4.46Å; S351-F385 CarbonylContact O-C 3.47Å; S351-F385 WeakPolarHBondContact O-CA 3.46Å; Q352-F385 HydrophobicContact CB-CD1 4.04Å; Q352-F385 HydrophobicContact CB-CE1 4.25Å; L354-F385 HydrophobicContact CD2-CE1 3.87Å; L354-F385 HydrophobicContact CD2-CZ 4.06Å; A361-F385 HydrophobicContact CB-CD1 4.3Å; A361-F385 HydrophobicContact CB-CE1 3.49Å; A361-F385 VanDerWaalsContact CB-CE1 3.49Å; A361-F385 HydrophobicContact CB-CZ 4.24Å; L368-F385 HydrophobicContact CD1-CD1 3.85Å; L368-F385 HydrophobicContact CD1-CE1 4.07Å; L368-F385 HydrophobicContact CD1-CG 4.23Å; L368-F385 HydrophobicContact CD2-CB 4.15Å; L368-F385 HydrophobicContact CD2-CD1 3.99Å; L368-F385 HydrophobicContact CD2-CD2 3.48Å; L368-F385 VanDerWaalsContact CD2-CD2 3.48Å; L368-F385 HydrophobicContact CD2-CE1 4.26Å; L368-F385 HydrophobicContact CD2-CE2 3.79Å; L368-F385 HydrophobicContact CD2-CG 3.58Å; L368-F385 HydrophobicContact CD2-CZ 4.16Å; W370-F385 HydrophobicContact CB-CZ 4.27Å; W370-F385 AromaticContact CD2-CZ 3.98Å; W370-F385 HydrophobicContact CD2-CZ 3.98Å; W370-F385 HydrophobicContact CE3-CZ 4.45Å; W370-F385 AromaticContact CG-CZ 3.9Å; W370-F385 HydrophobicContact CG-CZ 3.9Å; G383-F385 WeakPolarHBondContact O-CE2 3.36Å; F385-M387 HydrophobicContact CB-CE 3.55Å
386Q93.1Very high79.7Confident70 Ų7054.2 Ų54.233%0.32736%0.359SS..EExtended strand (participates in β ladder)trans-107.3127.1176.6-68.6175.8-17.900108.6L318 Q319 S351L318-Q386 WeakPolarHBondContact O-CA 3.41Å; Q319-Q386 HydrophobicContact CG-CG 4.3Å; S351-Q386 PolarHBondContact N-O 2.82Å; S351-Q386 PolarHBondContact O-N 3.24Å
387M91.6Very high77.3Confident1 Ų155.2 Ų55.21%0.00538%0.375CS..EExtended strand (participates in β ladder)trans-131.8137.3-173.5-61.2165.4-134.100109.2R317 L318 V320 L343 V347 S349 L350 L368 F385R317-M387 WeakPolarHBondContact CA-O 3.36Å; L318-M387 HydrophobicContact CB-CB 4.25Å; L318-M387 HydrophobicContact CD2-SD 3.88Å; L318-M387 HydrophobicContact CG-SD 4.45Å; L318-M387 PolarHBondContact N-O 2.97Å; L318-M387 PolarHBondContact O-N 2.93Å; V320-M387 HydrophobicContact CB-CE 4.02Å; V320-M387 HydrophobicContact CG2-CE 3.75Å; L343-M387 HydrophobicContact CD1-CE 4.35Å; L343-M387 HydrophobicContact CD1-SD 3.51Å; L343-M387 VanDerWaalsContact CD1-SD 3.51Å; L343-M387 HydrophobicContact CD2-CE 3.83Å; L343-M387 HydrophobicContact CD2-SD 3.61Å; L343-M387 HydrophobicContact CG-SD 4.16Å; V347-M387 HydrophobicContact CG1-CB 3.96Å; V347-M387 HydrophobicContact CG1-CG 4.15Å; V347-M387 HydrophobicContact CG1-SD 4.26Å; V347-M387 HydrophobicContact CG2-SD 4.43Å; S349-M387 WeakPolarHBondContact O-CA 3.3Å; L350-M387 HydrophobicContact CD1-CE 4.26Å; L350-M387 HydrophobicContact CD1-CG 3.87Å; L368-M387 HydrophobicContact CD2-CE 4.29Å; F385-M387 HydrophobicContact CB-CE 3.55Å
388D87.8Confident74.6Confident66 Ų6664 Ų6435%0.35341%0.414SS..EExtended strand (participates in β ladder)trans-92.5131.4170.6-56.7-54.8000109.6R317 V348 S349R317-D388 IonicContact NE-OD1 3.85Å; V348-D388 HydrophobicContact CG2-CB 4.13Å; V348-D388 WeakPolarHBondContact CG2-O 3.13Å; V348-D388 PolarHBondContact N-O 2.81Å; V348-D388 VanDerWaalsContact N-O 3.1Å; S349-D388 VanDerWaalsContact OG-CB 3.28Å; S349-D388 WeakPolarHBondContact OG-CB 3.12Å; S349-D388 VanDerWaalsContact OG-CG 3.26Å; S349-D388 PolarHBondContact OG-N 2.85Å; S349-D388 PolarHBondContact OG-OD2 2.8Å
389V84.1Confident71.7Confident6 Ų664.2 Ų64.24%0.03642%0.417CS..  trans-122.890.8176-168.70000109.3W311 G316 L318 V347 G391W311-V389 HydrophobicContact CH2-CB 3.36Å; W311-V389 HydrophobicContact CH2-CG1 3.64Å; W311-V389 HydrophobicContact CH2-CG2 3.49Å; W311-V389 VanDerWaalsContact CH2-CG2 3.49Å; W311-V389 HydrophobicContact CZ2-CB 4.08Å; W311-V389 HydrophobicContact CZ2-CG1 4.43Å; W311-V389 HydrophobicContact CZ3-CB 4.1Å; W311-V389 HydrophobicContact CZ3-CG2 3.68Å; G316-V389 PolarHBondContact O-N 2.82Å; L318-V389 HydrophobicContact CB-CG2 4.26Å; V347-V389 HydrophobicContact CG2-CG2 3.65Å; V389-G391 PolarHBondContact O-N 3.03Å; V389-G391 VanDerWaalsContact O-N 3.16Å
390P71.8Confident69Low86 Ų8671.8 Ų71.856%0.55845%0.454SS*.  trans-66.9111.1176.523.8-33.6000111.5G346 V348G346-P390 WeakPolarHBondContact O-CD 3.43Å; V348-P390 HydrophobicContact CG1-CG 3.75Å; V348-P390 HydrophobicContact CG2-CG 3.98Å
391G62.4Low66.1Low59 Ų5973 Ų7361%0.60847%0.472SS*.  trans92.7132.5169.500000114.8V389V389-G391 PolarHBondContact O-N 3.03Å; V389-G391 VanDerWaalsContact O-N 3.16Å
392S50.8Low63.5Low105 Ų10578.5 Ų78.573%0.73451%0.506SS*.PPolyproline II helixtrans-84.6134.1167.865.60000110.3G394S392-G394 PolarHBondContact O-N 2.74Å
393P48Very low60.8Low124 Ų12482.8 Ų82.881%0.80554%0.537SS*.PPolyproline II helixtrans-71.3116.3138.819.8-6.5000105.9
394G43.7Very low58.1Low47 Ų4787.1 Ų87.149%0.48557%0.573SS.*PPolyproline II helixtrans-55.6169172.700000111.7S392S392-G394 PolarHBondContact O-N 2.74Å
395P42Very low55.9Low117 Ų11789.1 Ų89.176%0.7659%0.587SS**PPolyproline II helixtrans-59.9141171.828.8-32.1000108.2S397P395-S397 PolarHBondContact O-N 2.99Å
396P39.8Very low53.8Low121 Ų12195.2 Ų95.279%0.78663%0.627SS**  trans-63.897.7159.126.6-28.7000106.5H398P396-H398 PolarHBondContact O-N 3.02Å
397S46.2Very low52.4Low101 Ų10195 Ų9571%0.70663%0.627SS**SBendtrans-58.3122.615751.90000107.1P395P395-S397 PolarHBondContact O-N 2.99Å
398H38.3Very low51.2Low188 Ų18897.1 Ų97.187%0.8765%0.649SS**SBendtrans80.397.4179.5-65.4-84.8000116.9P396P396-H398 PolarHBondContact O-N 3.02Å
399G32.4Very low50.8Low62 Ų6294.6 Ų94.664%0.63964%0.636SS**  trans160106.216000000110.4S401G399-S401 PolarHBondContact O-N 2.82Å
400L40.7Very low50.8Low192 Ų19295.1 Ų95.1100%1.00564%0.642SS**  trans-61.1104171.9-76.295000109.6
401S34Very low51.8Low110 Ų11093.8 Ų93.877%0.76963%0.634SS**  trans-147.2101.1159.959.10000109.6G399 S403G399-S401 PolarHBondContact O-N 2.82Å; S401-S403 PolarHBondContact O-N 2.82Å
402T42.1Very low53.3Low141 Ų14191 Ų9187%0.86561%0.605SS**  trans-61.1119.7169.140.90000110.7
403S40.7Very low55.5Low119 Ų11988.1 Ų88.183%0.83259%0.585SS**  trans15112.7141.8760000117S401S401-S403 PolarHBondContact O-N 2.82Å
404A40.1Very low57.8Low91 Ų9182.6 Ų82.675%0.75255%0.548SS*.  trans-86.7132.3174.400000111.4
405P48.7Very low60.3Low66 Ų6682 Ų8243%0.42954%0.537SS..  trans-62.3142175.223.1-29.6000110.5L407 G408 L409P405-L407 PolarHBondContact O-N 2.91Å; P405-G408 PolarHBondContact O-N 2.89Å; P405-L409 WeakPolarHBondContact CG-O 3.46Å
406P52.3Low62.9Low128 Ų12876.7 Ų76.783%0.83150%0.502SS*.THydrogen-bonded Turntrans-63.9-7.8-166.122.7-33.1000115.7
407L62.4Low65.6Low66 Ų6675 Ų7535%0.34648%0.484SS..THydrogen-bonded Turntrans-120.7-4.4179.6-74.7152.8000113.4V309 W311 P344 P405 L409V309-L407 HydrophobicContact CG1-CD1 3.89Å; W311-L407 HydrophobicContact CB-CD2 3.59Å; W311-L407 HydrophobicContact CD2-CD2 3.98Å; W311-L407 HydrophobicContact CE3-CD2 3.97Å; W311-L407 HydrophobicContact CG-CD2 3.81Å; P344-L407 WeakPolarHBondContact CG-O 3.43Å; P405-L407 PolarHBondContact O-N 2.91Å; L407-L409 HydrophobicContact CB-CD1 4.3Å; L407-L409 HydrophobicContact CB-CG 4.4Å; L407-L409 PolarHBondContact O-N 3.11Å
408G66.1Low67.9Low45 Ų4570.3 Ų70.346%0.46445%0.45SS..  trans70.99.8-173.400000115P405P405-G408 PolarHBondContact O-N 2.89Å
409L80.2Confident70.5Confident13 Ų1362.8 Ų62.87%0.06842%0.418CS..PPolyproline II helixtrans-72.2129.5170.3-73.8166.2000110V309 L318 L343 P344 P405 L407V309-L409 HydrophobicContact CB-CD1 4.35Å; V309-L409 HydrophobicContact CG1-CD1 3.58Å; V309-L409 HydrophobicContact CG2-CD1 3.9Å; L318-L409 HydrophobicContact CD2-CD2 4.5Å; L343-L409 HydrophobicContact CD2-CD2 3.86Å; P344-L409 HydrophobicContact CG-CD2 4.27Å; P344-L409 HydrophobicContact CG-CG 4.26Å; P405-L409 WeakPolarHBondContact CG-O 3.46Å; L407-L409 HydrophobicContact CB-CD1 4.3Å; L407-L409 HydrophobicContact CB-CG 4.4Å; L407-L409 PolarHBondContact O-N 3.11Å
410G84.6Confident73.3Confident17 Ų1768.2 Ų68.218%0.17542%0.419CS..PPolyproline II helixtrans-78.4171.4171.300000111.9L341 P342L341-G410 WeakPolarHBondContact CD1-O 3.44Å; P342-G410 PolarHBondContact O-N 2.67Å; P342-G410 VanDerWaalsContact O-N 3.14Å
411P92.4Very high75.7Confident58 Ų5860.6 Ų60.638%0.37738%0.378SS..PPolyproline II helixtrans-65.4147.4170.531.4-35.5000110.5P342 V457 I458 R459P342-P411 WeakPolarHBondContact CD-O 3.41Å; P411-V457 HydrophobicContact CB-CG1 3.61Å; P411-V457 HydrophobicContact CG-CG1 3.94Å; P411-I458 CarbonylContact C-O 3.33Å; P411-I458 WeakPolarHBondContact CA-O 3.15Å; P411-I458 WeakPolarHBondContact CB-O 3.3Å; P411-R459 HydrophobicContact CB-CG 4.41Å
412A94.8Very high78.5Confident1 Ų156 Ų561%0.00835%0.346CS..EExtended strand (participates in β ladder)trans-75.3136.3171.300000110.6L305 L339 H340 L341 V457 I458 I460L305-A412 HydrophobicContact CD2-CB 3.83Å; L339-A412 HydrophobicContact CD2-CB 4.43Å; L339-A412 HydrophobicContact CG-CB 4.41Å; H340-A412 CarbonylContact O-C 3.5Å; H340-A412 WeakPolarHBondContact O-CA 3.49Å; L341-A412 HydrophobicContact CD1-CB 4.33Å; A412-V457 CarbonylContact O-C 3.58Å; A412-V457 WeakPolarHBondContact O-CA 3.32Å; A412-I458 PolarHBondContact N-O 3.04Å; A412-I458 PolarHBondContact O-N 3.48Å; A412-I460 HydrophobicContact CB-CD1 3.82Å; A412-I460 HydrophobicContact CB-CG1 4.26Å
413S95.9Very high80.8Confident44 Ų4449.3 Ų49.331%0.30831%0.305SS..EExtended strand (participates in β ladder)trans-111136172.9-52.40000109.6L339 H340 Y456L339-S413 CarbonylContact C-O 3.52Å; L339-S413 WeakPolarHBondContact CA-O 3.49Å; H340-S413 PolarHBondContact N-O 3.03Å; H340-S413 PolarHBondContact O-N 3.2Å; S413-Y456 CarbonylContact C-O 3.54Å; S413-Y456 WeakPolarHBondContact CA-O 3.46Å
414L96.6Very high83.1Confident8 Ų843.6 Ų43.64%0.04227%0.265CS..EExtended strand (participates in β ladder)trans-115129.9179.1-162.673.4000109.8F303 L324 V337 R338 L339 F416 Y456F303-L414 HydrophobicContact CB-CD2 3.75Å; F303-L414 HydrophobicContact CD1-CD2 4.4Å; F303-L414 HydrophobicContact CD2-CD2 3.46Å; F303-L414 VanDerWaalsContact CD2-CD2 3.46Å; F303-L414 HydrophobicContact CE2-CD2 4.14Å; F303-L414 HydrophobicContact CG-CD2 3.61Å; L324-L414 HydrophobicContact CD1-CD1 4.46Å; L324-L414 HydrophobicContact CD1-CD2 4.35Å; L324-L414 HydrophobicContact CD2-CD1 4.32Å; V337-L414 HydrophobicContact CG1-CD1 3.84Å; V337-L414 HydrophobicContact CG1-CG 4.3Å; R338-L414 CarbonylContact O-C 3.51Å; R338-L414 WeakPolarHBondContact O-CA 3.45Å; L339-L414 HydrophobicContact CB-CD1 3.86Å; L339-L414 HydrophobicContact CD1-CD1 4.41Å; L339-L414 HydrophobicContact CG-CD1 4.43Å; L414-F416 HydrophobicContact CB-CD1 4.45Å; L414-F416 HydrophobicContact CD2-CD1 3.67Å; L414-F416 HydrophobicContact CD2-CE1 3.89Å; L414-F416 HydrophobicContact CG-CD1 3.86Å; L414-F416 HydrophobicContact CG-CE1 4.36Å; L414-Y456 HydrophobicContact CB-CD1 3.74Å; L414-Y456 HydrophobicContact CB-CG 4.25Å; L414-Y456 HydrophobicContact CD2-CD1 4.11Å; L414-Y456 HydrophobicContact CD2-CE1 4.29Å; L414-Y456 PolarHBondContact N-O 3.21Å; L414-Y456 WeakPolarHBondContact O-CB 3.29Å
415S96.8Very high85.4Confident35 Ų3540.7 Ų40.725%0.24524%0.243CC..EExtended strand (participates in β ladder)trans-112.5136.5168.575.60000110.2V337 R338 S453V337-S415 CarbonylContact C-O 3.53Å; V337-S415 VanDerWaalsContact CA-O 3.26Å; V337-S415 WeakPolarHBondContact CA-O 3.49Å; R338-S415 WeakPolarHBondContact CB-OG 3.39Å; R338-S415 PolarHBondContact N-O 3.4Å; R338-S415 PolarHBondContact NE-OG 3.49Å; R338-S415 VanDerWaalsContact NE-OG 3.13Å; R338-S415 PolarHBondContact O-N 3.11Å; S415-S453 WeakPolarHBondContact CA-OG 3.39Å
416F96.4Very high87.4Confident5 Ų537.5 Ų37.52%0.02222%0.223CC..EExtended strand (participates in β ladder)trans-162163.2-17957.4-98.7000113.3L202 P302 F303 V337 L414 L418 H452 S453 Y456L202-F416 HydrophobicContact CD2-CZ 4.15Å; P302-F416 HydrophobicContact CG-CE1 4.44Å; P302-F416 HydrophobicContact CG-CE2 3.97Å; P302-F416 HydrophobicContact CG-CZ 3.63Å; F303-F416 AromaticContact CD2-CD1 3.81Å; F303-F416 HydrophobicContact CD2-CD1 3.81Å; F303-F416 AromaticContact CD2-CE1 3.82Å; F303-F416 HydrophobicContact CD2-CE1 3.82Å; F303-F416 HydrophobicContact CD2-CG 4.22Å; F303-F416 HydrophobicContact CD2-CZ 4.24Å; F303-F416 HydrophobicContact CE2-CB 4.03Å; F303-F416 AromaticContact CE2-CD1 3.69Å; F303-F416 HydrophobicContact CE2-CD1 3.69Å; F303-F416 HydrophobicContact CE2-CD2 4.02Å; F303-F416 HydrophobicContact CE2-CE1 4.09Å; F303-F416 HydrophobicContact CE2-CE2 4.41Å; F303-F416 AromaticContact CE2-CG 3.64Å; F303-F416 HydrophobicContact CE2-CG 3.64Å; F303-F416 HydrophobicContact CE2-CZ 4.43Å; V337-F416 HydrophobicContact CB-CB 4.34Å; V337-F416 HydrophobicContact CG1-CB 4.42Å; V337-F416 HydrophobicContact CG2-CB 3.83Å; L414-F416 HydrophobicContact CB-CD1 4.45Å; L414-F416 HydrophobicContact CD2-CD1 3.67Å; L414-F416 HydrophobicContact CD2-CE1 3.89Å; L414-F416 HydrophobicContact CG-CD1 3.86Å; L414-F416 HydrophobicContact CG-CE1 4.36Å; F416-L418 HydrophobicContact CD2-CD1 4.13Å; F416-L418 HydrophobicContact CD2-CD2 3.65Å; F416-L418 HydrophobicContact CD2-CG 3.63Å; F416-L418 HydrophobicContact CE2-CD1 3.71Å; F416-L418 HydrophobicContact CE2-CD2 4.09Å; F416-L418 HydrophobicContact CE2-CG 3.73Å; F416-H452 WeakPolarHBondContact O-CA 3.3Å; F416-S453 PolarHBondContact N-OG 3.32Å; F416-S453 PolarHBondContact O-N 3.45Å; F416-S453 PolarHBondContact O-OG 3.36Å; F416-Y456 AromaticContact CE1-CD2 3.71Å; F416-Y456 HydrophobicContact CE1-CD2 3.71Å; F416-Y456 HydrophobicContact CE1-CE2 4.29Å; F416-Y456 AromaticContact CE1-CG 3.85Å; F416-Y456 HydrophobicContact CE1-CG 3.85Å; F416-Y456 AromaticContact CZ-CD2 3.89Å; F416-Y456 HydrophobicContact CZ-CD2 3.89Å; F416-Y456 HydrophobicContact CZ-CE2 4.33Å; F416-Y456 HydrophobicContact CZ-CG 4.47Å
417E95.8Very high89.3Confident86 Ų8637.1 Ų37.140%0.40221%0.21SC..EExtended strand (participates in β ladder)trans-124.3130.9173.4-65.1175.2169.600111L335 N336 P419L335-E417 PolarHBondContact N-O 2.8Å; L335-E417 PolarHBondContact O-N 3.1Å; N336-E417 PolarHBondContact ND2-OE2 2.92Å; E417-P419 VanDerWaalsContact O-CD 3.32Å; E417-P419 WeakPolarHBondContact O-CD 3.49Å
418L95.1Very high90.8Very high1 Ų134.9 Ų34.91%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-115.287.7-179.2-50.4-174.9000109.9P302 F303 L328 A334 F416 H421 S451P302-L418 HydrophobicContact CB-CD1 3.76Å; P302-L418 HydrophobicContact CG-CD1 4.08Å; F303-L418 HydrophobicContact CE2-CD2 4.4Å; L328-L418 HydrophobicContact CD1-CD2 3.69Å; L328-L418 HydrophobicContact CD2-CD1 4.24Å; A334-L418 HydrophobicContact CB-CD2 3.54Å; F416-L418 HydrophobicContact CD2-CD1 4.13Å; F416-L418 HydrophobicContact CD2-CD2 3.65Å; F416-L418 HydrophobicContact CD2-CG 3.63Å; F416-L418 HydrophobicContact CE2-CD1 3.71Å; F416-L418 HydrophobicContact CE2-CD2 4.09Å; F416-L418 HydrophobicContact CE2-CG 3.73Å; L418-H421 HydrophobicContact CB-CB 4.03Å; L418-S451 WeakPolarHBondContact CA-O 3.41Å; L418-S451 WeakPolarHBondContact CB-O 3.46Å; L418-S451 PolarHBondContact N-O 2.84Å; L418-S451 PolarHBondContact O-N 3.39Å; L418-S451 VanDerWaalsContact O-N 3.12Å
419P93.3Very high92.1Very high30 Ų3038.6 Ų38.620%0.19520%0.199CC..EExtended strand (participates in β ladder)trans-70.3142.6177.429.5-35.6000111.4L335 E417 H421L335-P419 HydrophobicContact CD1-CG 3.92Å; L335-P419 HydrophobicContact CG-CG 4.22Å; E417-P419 VanDerWaalsContact O-CD 3.32Å; E417-P419 WeakPolarHBondContact O-CD 3.49Å; P419-H421 PolarHBondContact O-N 3.22Å
420R90.8Very high92.7Very high176 Ų17640.1 Ų40.166%0.66421%0.205SC*.THydrogen-bonded Turntrans58.832179.8-53-178.1-64-90.6-0.4113.4H449R420-H449 WeakPolarHBondContact CA-O 3.49Å; R420-H449 PolarHBondContact N-O 2.8Å
421H91Very high93.1Very high32 Ų3240.1 Ų40.115%0.14820%0.201CC..  trans-134.9148178.3-169.365.5000109.8L418 P419 S451L418-H421 HydrophobicContact CB-CB 4.03Å; P419-H421 PolarHBondContact O-N 3.22Å; H421-S451 PolarHBondContact O-N 2.86Å; H421-S451 PolarHBondContact O-OG 2.9Å; H421-S451 VanDerWaalsContact O-OG 3.07Å
422T92Very high93Very high13 Ų1344.8 Ų44.88%0.0821%0.211CC..  trans-130.5130.3167.2470000107.7V198 E200 G425 L426 H449 S451V198-T422 HydrophobicContact CG1-CG2 3.91Å; E200-T422 VanDerWaalsContact OE2-CA 3.29Å; E200-T422 WeakPolarHBondContact OE2-CA 2.78Å; E200-T422 WeakPolarHBondContact OE2-CB 3.49Å; T422-G425 PolarHBondContact O-N 3.46Å; T422-L426 WeakPolarHBondContact CG2-O 3.46Å; T422-L426 PolarHBondContact OG1-O 2.71Å; T422-H449 HydrophobicContact CG2-CB 4.04Å; T422-S451 WeakPolarHBondContact CA-OG 3.29Å
423C89.9Confident92.6Very high1 Ų146.1 Ų46.11%0.00722%0.218CC..SBendtrans-73.3-31.7176.1-64.40000111.5E200 V217 L297 S299 G425E200-C423 PolarHBondContact OE2-N 3.42Å; V217-C423 HydrophobicContact CG2-CB 4.23Å; L297-C423 HydrophobicContact CD2-CB 4.28Å; S299-C423 PolarHBondContact OG-O 2.62Å; C423-G425 PolarHBondContact O-N 3.15Å
424S90Very high91.5Very high0 Ų047.2 Ų47.20%023%0.23CC..SBendtrans-72.8-16.1173.972.90000113.5E200 I255 P298 L426E200-S424 WeakPolarHBondContact OE1-CB 3.42Å; E200-S424 PolarHBondContact OE1-OG 3.23Å; E200-S424 PolarHBondContact OE2-N 3.12Å; I255-S424 WeakPolarHBondContact CG1-O 3.44Å; I255-S424 WeakPolarHBondContact CG2-O 3.39Å; P298-S424 WeakPolarHBondContact CG-O 3.19Å; S424-L426 PolarHBondContact O-N 3.3Å; S424-L426 VanDerWaalsContact OG-CB 3.27Å; S424-L426 WeakPolarHBondContact OG-CB 3.28Å; S424-L426 PolarHBondContact OG-N 2.77Å
425G88.6Confident90Very high29 Ų2952.8 Ų52.830%0.29925%0.254SS..  trans78.32.1-170.200000114.5I255 T422 C423 Q427I255-G425 VanDerWaalsContact CD1-C 3.43Å; I255-G425 WeakPolarHBondContact CD1-O 3.33Å; T422-G425 PolarHBondContact O-N 3.46Å; C423-G425 PolarHBondContact O-N 3.15Å; G425-Q427 PolarHBondContact O-N 3.4Å
426L90.9Very high88.1Confident0 Ų059.4 Ų59.40%027%0.274CS..  trans-59.3130.7175.9-175.466.9000111V198 I221 L237 F241 I255 M289 Y291 T422 S424V198-L426 HydrophobicContact CG1-CD2 4.23Å; I221-L426 HydrophobicContact CD1-CD2 4.16Å; I221-L426 HydrophobicContact CG1-CD2 4.45Å; L237-L426 HydrophobicContact CB-CD1 4.3Å; F241-L426 HydrophobicContact CD2-CD1 3.73Å; F241-L426 HydrophobicContact CE2-CD1 4.07Å; I255-L426 VanDerWaalsContact CD1-CA 3.5Å; I255-L426 HydrophobicContact CD1-CB 4.29Å; I255-L426 HydrophobicContact CD1-CD1 4.37Å; M289-L426 HydrophobicContact CE-CD2 4.31Å; Y291-L426 HydrophobicContact CD1-CD2 4.18Å; Y291-L426 HydrophobicContact CE1-CD2 3.38Å; Y291-L426 HydrophobicContact CE2-CD2 4.28Å; Y291-L426 VanDerWaalsContact CZ-CD2 3.43Å; Y291-L426 WeakPolarHBondContact OH-CD2 3.39Å; T422-L426 WeakPolarHBondContact CG2-O 3.46Å; T422-L426 PolarHBondContact OG1-O 2.71Å; S424-L426 PolarHBondContact O-N 3.3Å; S424-L426 VanDerWaalsContact OG-CB 3.27Å; S424-L426 WeakPolarHBondContact OG-CB 3.28Å; S424-L426 PolarHBondContact OG-N 2.77Å
427Q91.9Very high86Confident119 Ų11959.9 Ų59.956%0.55628%0.277SS*.  trans-133143.7176.8-66.4-178.69.300110.3T238 G425T238-Q427 PolarHBondContact N-O 2.84Å; T238-Q427 VanDerWaalsContact N-O 3.12Å; T238-Q427 PolarHBondContact OG1-N 2.91Å; T238-Q427 PolarHBondContact OG1-O 2.8Å; G425-Q427 PolarHBondContact O-N 3.4Å
428V94.2Very high83.6Confident20 Ų2062.3 Ų62.312%0.12130%0.302CS..EExtended strand (participates in β ladder)trans-87.9109.9168.6-179.90000108.3L196 V198 I235 G236 L237 V447L196-V428 HydrophobicContact CD2-CB 4.31Å; L196-V428 HydrophobicContact CD2-CG1 3.81Å; L196-V428 HydrophobicContact CD2-CG2 3.73Å; V198-V428 HydrophobicContact CG2-CG2 3.75Å; I235-V428 HydrophobicContact CG2-CG1 3.99Å; G236-V428 CarbonylContact O-C 3.58Å; L237-V428 HydrophobicContact CD2-CG2 4.46Å; V428-V447 HydrophobicContact CB-CG1 4.03Å; V428-V447 HydrophobicContact CG2-CG1 4.2Å
429R93.2Very high81.6Confident123 Ų12364.8 Ų64.846%0.46433%0.328SS..EExtended strand (participates in β ladder)trans-71-41.4179.5-65169.565.6-160.49.5111.8G236 L237 E239G236-R429 PolarHBondContact O-N 3.5Å; L237-R429 WeakPolarHBondContact O-CD 3.12Å; E239-R429 VanDerWaalsContact CD-NH1 3.29Å; E239-R429 VanDerWaalsContact CG-CZ 3.49Å; E239-R429 IonicContact OE1-CZ 3.14Å; E239-R429 IonicContact OE1-NH1 3.85Å; E239-R429 PolarHBondContact OE1-NH1 3.5Å; E239-R429 IonicContact OE1-NH2 3.03Å; E239-R429 PolarHBondContact OE1-NH2 2.78Å
430F93.3Very high79.4Confident45 Ų4571.6 Ų71.620%0.19736%0.363CS..EExtended strand (participates in β ladder)trans-155.9153.9177.862.2-99.1000112.5R234 G236 I276 R432R234-F430 HydrophobicContact CB-CE2 4.48Å; G236-F430 PolarHBondContact N-O 2.87Å; I276-F430 HydrophobicContact CD1-CZ 3.89Å; I276-F430 HydrophobicContact CG1-CZ 3.97Å; F430-R432 HydrophobicContact CD2-CB 4.26Å; F430-R432 HydrophobicContact CD2-CG 3.67Å; F430-R432 HydrophobicContact CE2-CG 4.19Å; F430-R432 HydrophobicContact CG-CG 4.47Å
431L92.4Very high78Confident16 Ų1666.4 Ų66.48%0.08436%0.358CS..EExtended strand (participates in β ladder)trans-120.7111.6167.2-17462.4000108.8V194 L196 M233 I235 K445V194-L431 HydrophobicContact CB-CD2 4.4Å; V194-L431 HydrophobicContact CG1-CD2 3.96Å; L196-L431 HydrophobicContact CD2-CD1 4.49Å; M233-L431 HydrophobicContact CE-CD1 4.38Å; M233-L431 HydrophobicContact CG-CD1 3.73Å; M233-L431 HydrophobicContact SD-CD1 3.54Å; M233-L431 VanDerWaalsContact SD-CD1 3.54Å; M233-L431 HydrophobicContact SD-CG 4.38Å; I235-L431 HydrophobicContact CG1-CD1 3.73Å; L431-K445 HydrophobicContact CB-CD 4.28Å; L431-K445 HydrophobicContact CD2-CB 4.09Å; L431-K445 HydrophobicContact CD2-CD 4.36Å; L431-K445 HydrophobicContact CD2-CG 4.1Å; L431-K445 HydrophobicContact CG-CD 4.3Å; L431-K445 WeakPolarHBondContact O-CD 3.42Å; L431-K445 WeakPolarHBondContact O-CE 3.26Å; L431-K445 PolarHBondContact O-NZ 2.57Å
432R90.3Very high76.9Confident156 Ų15670.3 Ų70.359%0.58938%0.38SS*.EExtended strand (participates in β ladder)trans-113.1141.2-179.5-73.5177.3-176.4-179.72.2110.2M233 R234 F430M233-R432 CarbonylContact C-O 3.59Å; M233-R432 WeakPolarHBondContact CA-O 3.41Å; M233-R432 WeakPolarHBondContact CG-O 3.4Å; R234-R432 HydrophobicContact CB-CB 4.34Å; R234-R432 PolarHBondContact N-O 2.69Å; R234-R432 PolarHBondContact O-N 2.78Å; F430-R432 HydrophobicContact CD2-CB 4.26Å; F430-R432 HydrophobicContact CD2-CG 3.67Å; F430-R432 HydrophobicContact CE2-CG 4.19Å; F430-R432 HydrophobicContact CG-CG 4.47Å
433L86.7Confident76.2Confident30 Ų3070.4 Ų70.416%0.15738%0.38CS..EExtended strand (participates in β ladder)trans-117.7123.1173.8-68.3163.2000105.5V194 L227 E232 M233 F435 P443V194-L433 HydrophobicContact CG2-CD1 4.38Å; L227-L433 HydrophobicContact CD1-CD1 3.79Å; L227-L433 HydrophobicContact CD1-CD2 3.61Å; L227-L433 HydrophobicContact CD1-CG 4.36Å; E232-L433 WeakPolarHBondContact O-CA 3.12Å; M233-L433 HydrophobicContact CB-CD2 3.78Å; M233-L433 HydrophobicContact CG-CD2 3.67Å; M233-L433 HydrophobicContact SD-CD2 4.11Å; L433-F435 VanDerWaalsContact C-N 3.34Å; L433-P443 HydrophobicContact CD1-CB 3.99Å; L433-P443 HydrophobicContact CD1-CG 3.23Å
434A71.8Confident76Confident67 Ų6775.5 Ų75.555%0.55440%0.404SS*.SBendtrans-73.8-31.9-175.500000111.2E232E232-A434 HydrophobicContact CB-CB 3.99Å; E232-A434 HydrophobicContact CG-CB 4.09Å; E232-A434 PolarHBondContact O-N 3.17Å
435F65.3Low76Confident124 Ų12479.8 Ų79.854%0.54442%0.423SS..PPolyproline II helixtrans-101.1133.1-178.8-163.2-105.7000111.5L433L433-F435 VanDerWaalsContact C-N 3.34Å
436R57.3Low76.1Confident175 Ų17580.9 Ų80.966%0.6642%0.418SS*.PPolyproline II helixtrans-86.3117.5162.1-66-173.3-168.2-169.44106.5
437P52.5Low76.2Confident15 Ų1583.9 Ų83.910%0.09744%0.436CS..PPolyproline II helixtrans-50.9148.6171.6-21.431.5000109.7G439P437-G439 PolarHBondContact O-N 3.19Å
438C45.6Very low76.3Confident137 Ų13783.7 Ų83.793%0.92643%0.43SS*.SBendtrans-52.3102173.5-84.90000110.1
439G53.1Low76.2Confident53 Ų5384.5 Ų84.555%0.54643%0.433SS..SBendtrans142.8133.9-171.100000111.4P437 A441P437-G439 PolarHBondContact O-N 3.19Å; G439-A441 PolarHBondContact O-N 2.96Å
440N46.9Very low76.3Confident172 Ų17280.6 Ų80.692%0.9242%0.42SS*.SBendtrans-67.46.1-172.1-99.9-9.3000116
441A61Low76.4Confident68 Ų6878.5 Ų78.556%0.56241%0.411SS*.PPolyproline II helixtrans-100.5123-17500000111.6G439G439-A441 PolarHBondContact O-N 2.96Å
442N68.7Low76.5Confident114 Ų11479.1 Ų79.161%0.6141%0.414SS*.PPolyproline II helixtrans-64.9132.9169.1-76.1-36000109.3
443P77.6Confident76.7Confident15 Ų1572.5 Ų72.510%0.09739%0.392CS..PPolyproline II helixtrans-61.1142.3175.424.7-34.7000111.4N192 L227 L433N192-P443 HydrophobicContact CB-CB 3.84Å; N192-P443 CarbonylContact O-C 3.53Å; N192-P443 WeakPolarHBondContact O-CA 3.43Å; N192-P443 VanDerWaalsContact O-CB 3.24Å; N192-P443 WeakPolarHBondContact O-CB 3.33Å; L227-P443 HydrophobicContact CD2-CB 3.74Å; L227-P443 HydrophobicContact CD2-CG 4.46Å; L433-P443 HydrophobicContact CD1-CB 3.99Å; L433-P443 HydrophobicContact CD1-CG 3.23Å
444H85.4Confident77Confident107 Ų10775.4 Ų75.450%0.49541%0.407SS..EExtended strand (participates in β ladder)trans-73.1139.3174.4-66.6-78.5000110.4N192 E193 V194 W446N192-H444 PolarHBondContact O-N 3.32Å; E193-H444 CarbonylContact C-O 3.6Å; E193-H444 WeakPolarHBondContact CA-O 3.35Å; E193-H444 HydrophobicContact CG-CB 4.11Å; V194-H444 PolarHBondContact N-O 3.09Å; H444-W446 HydrophobicContact CB-CZ2 4.49Å
445K89.1Confident78Confident91 Ų9174.4 Ų74.440%0.39640%0.399SS..EExtended strand (participates in β ladder)trans-125.7125.7-175.1-64.1172.2-170.8175.30108.8L431L431-K445 HydrophobicContact CB-CD 4.28Å; L431-K445 HydrophobicContact CD2-CB 4.09Å; L431-K445 HydrophobicContact CD2-CD 4.36Å; L431-K445 HydrophobicContact CD2-CG 4.1Å; L431-K445 HydrophobicContact CG-CD 4.3Å; L431-K445 WeakPolarHBondContact O-CD 3.42Å; L431-K445 WeakPolarHBondContact O-CE 3.26Å; L431-K445 PolarHBondContact O-NZ 2.57Å
446W91.1Very high79.5Confident52 Ų5268.6 Ų68.620%0.19737%0.374CS..EExtended strand (participates in β ladder)trans-121.5128.8-179.1-55.1100.8000108.6A172 V194 F195 L196 H444A172-W446 HydrophobicContact CB-CD2 3.66Å; A172-W446 HydrophobicContact CB-CE3 3.8Å; A172-W446 HydrophobicContact CB-CG 4.27Å; A172-W446 HydrophobicContact CB-CH2 3.95Å; A172-W446 HydrophobicContact CB-CZ2 3.8Å; A172-W446 HydrophobicContact CB-CZ3 3.95Å; A172-W446 VanDerWaalsContact N-CH2 3.35Å; V194-W446 PolarHBondContact O-N 2.86Å; F195-W446 HydrophobicContact CD1-CB 3.55Å; F195-W446 AromaticContact CD1-CD1 3.62Å; F195-W446 AromaticContact CD1-CG 3.74Å; F195-W446 HydrophobicContact CD1-CG 3.74Å; F195-W446 HydrophobicContact CE1-CB 3.91Å; F195-W446 AromaticContact CE1-CD1 3.2Å; F195-W446 HydrophobicContact CE1-CD2 4.34Å; F195-W446 AromaticContact CE1-CG 3.55Å; F195-W446 HydrophobicContact CE1-CG 3.55Å; F195-W446 AromaticContact CE1-NE1 3.8Å; F195-W446 HydrophobicContact CG-CB 4.28Å; F195-W446 AromaticContact CZ-CD1 3.47Å; F195-W446 VanDerWaalsContact CZ-CD1 3.47Å; F195-W446 HydrophobicContact CZ-CG 4.26Å; F195-W446 AromaticContact CZ-NE1 3.8Å; L196-W446 PolarHBondContact N-O 2.82Å; H444-W446 HydrophobicContact CB-CZ2 4.49Å
447V92.9Very high81.3Confident63 Ų6361.9 Ų61.938%0.38235%0.352SS..EExtended strand (participates in β ladder)trans-123.1127.5173.7-175.60000108.1L196 V428L196-V447 HydrophobicContact CB-CG2 4.35Å; L196-V447 HydrophobicContact CD2-CG2 4.43Å; L196-V447 CarbonylContact O-C 3.59Å; L196-V447 VanDerWaalsContact O-CA 3.28Å; L196-V447 WeakPolarHBondContact O-CA 3.44Å; V428-V447 HydrophobicContact CB-CG1 4.03Å; V428-V447 HydrophobicContact CG2-CG1 4.2Å
448R93.1Very high83.4Confident114 Ų11461.4 Ų61.443%0.4335%0.349SS..EExtended strand (participates in β ladder)trans-127.1138.7176.8169.8175.467.4163.13.5109.1L196 D197 V198L196-R448 PolarHBondContact O-N 2.79Å; D197-R448 CarbonylContact C-O 3.59Å; D197-R448 WeakPolarHBondContact CA-O 3.35Å; D197-R448 VanDerWaalsContact CG-NH2 3.26Å; D197-R448 WeakPolarHBondContact OD1-CB 3.37Å; D197-R448 IonicContact OD1-CZ 3.12Å; D197-R448 IonicContact OD1-NE 3.42Å; D197-R448 PolarHBondContact OD1-NE 3.5Å; D197-R448 IonicContact OD1-NH2 3.28Å; D197-R448 PolarHBondContact OD1-NH2 3.32Å; D197-R448 IonicContact OD2-CZ 3.62Å; D197-R448 IonicContact OD2-NE 3.52Å; D197-R448 IonicContact OD2-NH2 3.88Å; D197-R448 PolarHBondContact OD2-NH2 2.81Å; V198-R448 PolarHBondContact N-O 3.23Å
449H94.1Very high85.6Confident38 Ų3860.9 Ų60.918%0.17633%0.327CS..EExtended strand (participates in β ladder)trans-114.3132172.7-59.283.6000107.6V198 R420 T422V198-H449 WeakPolarHBondContact O-CA 3.5Å; R420-H449 WeakPolarHBondContact CA-O 3.49Å; R420-H449 PolarHBondContact N-O 2.8Å; T422-H449 HydrophobicContact CG2-CB 4.04Å
450L94.5Very high87.2Confident40 Ų4061.6 Ų61.621%0.20932%0.317CS..EExtended strand (participates in β ladder)trans-144.7125.4-178.7177.865.9000109.1V198 V199 E200V198-L450 PolarHBondContact O-N 2.85Å; V199-L450 CarbonylContact C-O 3.57Å; V199-L450 VanDerWaalsContact CA-O 3.28Å; V199-L450 WeakPolarHBondContact CA-O 3.39Å; E200-L450 PolarHBondContact N-O 3.03Å
451S95.1Very high89.2Confident1 Ų156.1 Ų56.11%0.00729%0.287CS..EExtended strand (participates in β ladder)trans-112139.4165.2-51.10000109.6E200 L418 H421 T422E200-S451 CarbonylContact O-C 3.56Å; E200-S451 VanDerWaalsContact O-CA 3.3Å; E200-S451 WeakPolarHBondContact O-CA 3.49Å; E200-S451 PolarHBondContact OE2-OG 2.94Å; L418-S451 WeakPolarHBondContact CA-O 3.41Å; L418-S451 WeakPolarHBondContact CB-O 3.46Å; L418-S451 PolarHBondContact N-O 2.84Å; L418-S451 PolarHBondContact O-N 3.39Å; L418-S451 VanDerWaalsContact O-N 3.12Å; H421-S451 PolarHBondContact O-N 2.86Å; H421-S451 PolarHBondContact O-OG 2.9Å; H421-S451 VanDerWaalsContact O-OG 3.07Å; T422-S451 WeakPolarHBondContact CA-OG 3.29Å
452H94.8Very high90.7Very high30 Ų3055.4 Ų55.414%0.13927%0.273CS..EExtended strand (participates in β ladder)trans-131.1155.1171.260.5-91000110.5E200 R201 L202 F416E200-H452 PolarHBondContact O-N 3.33Å; E200-H452 PolarHBondContact O-ND1 2.9Å; R201-H452 WeakPolarHBondContact CA-O 3.48Å; R201-H452 WeakPolarHBondContact CD-NE2 3.36Å; R201-H452 VanDerWaalsContact CG-NE2 3.31Å; R201-H452 WeakPolarHBondContact CG-NE2 3.48Å; R201-H452 PolarHBondContact NE-NE2 3.41Å; R201-H452 PolarHBondContact NH1-NE2 2.95Å; R201-H452 VanDerWaalsContact NH1-NE2 3.17Å; L202-H452 PolarHBondContact N-O 2.86Å; F416-H452 WeakPolarHBondContact O-CA 3.3Å
453S94.8Very high91.9Very high17 Ų1752.2 Ų52.212%0.11925%0.254CS..EExtended strand (participates in β ladder)trans-69.9133.8170.6560000110.6S415 F416S415-S453 WeakPolarHBondContact CA-OG 3.39Å; F416-S453 PolarHBondContact N-OG 3.32Å; F416-S453 PolarHBondContact O-N 3.45Å; F416-S453 PolarHBondContact O-OG 3.36Å
454D92.3Very high92.7Very high90 Ų9054.4 Ų54.448%0.48126%0.263SS..EExtended strand (participates in β ladder)trans-100.2-60.7166.3-157.346.3000109.3R201 L202R201-D454 HydrophobicContact CB-CB 4.14Å; R201-D454 IonicContact NH1-OD1 2.67Å; L202-D454 PolarHBondContact O-N 3.35Å
455A93.3Very high93.2Very high47 Ų4751.1 Ų51.139%0.38825%0.249SC..EExtended strand (participates in β ladder)trans-135.394.4172.400000110.2L202 S203 V204L202-A455 PolarHBondContact O-N 3.36Å; S203-A455 CarbonylContact C-O 3.58Å; S203-A455 WeakPolarHBondContact CA-O 3.38Å; V204-A455 PolarHBondContact N-O 3Å; V204-A455 VanDerWaalsContact O-O 3.09Å
456Y96.1Very high93.4Very high2 Ų248.4 Ų48.41%0.00824%0.239CC..EExtended strand (participates in β ladder)trans-106.496.8177.1-162.1-77.4000110.1L202 V204 I206 P302 F303 S413 L414 F416 I458L202-Y456 HydrophobicContact CD2-CD2 3.99Å; L202-Y456 HydrophobicContact CD2-CE2 3.96Å; L202-Y456 HydrophobicContact CG-CD2 4.49Å; V204-Y456 HydrophobicContact CB-CD2 3.65Å; V204-Y456 HydrophobicContact CB-CE2 3.75Å; V204-Y456 HydrophobicContact CB-CG 4.27Å; V204-Y456 HydrophobicContact CG1-CD2 4.08Å; V204-Y456 HydrophobicContact CG1-CE2 3.74Å; V204-Y456 HydrophobicContact CG2-CD2 4.01Å; V204-Y456 HydrophobicContact CG2-CE2 3.9Å; I206-Y456 HydrophobicContact CD1-CE1 3.99Å; I206-Y456 WeakPolarHBondContact CD1-OH 3.44Å; P302-Y456 HydrophobicContact CG-CE2 4.34Å; F303-Y456 PolarHBondContact O-OH 2.81Å; S413-Y456 CarbonylContact C-O 3.54Å; S413-Y456 WeakPolarHBondContact CA-O 3.46Å; L414-Y456 HydrophobicContact CB-CD1 3.74Å; L414-Y456 HydrophobicContact CB-CG 4.25Å; L414-Y456 HydrophobicContact CD2-CD1 4.11Å; L414-Y456 HydrophobicContact CD2-CE1 4.29Å; L414-Y456 PolarHBondContact N-O 3.21Å; L414-Y456 WeakPolarHBondContact O-CB 3.29Å; F416-Y456 AromaticContact CE1-CD2 3.71Å; F416-Y456 HydrophobicContact CE1-CD2 3.71Å; F416-Y456 HydrophobicContact CE1-CE2 4.29Å; F416-Y456 AromaticContact CE1-CG 3.85Å; F416-Y456 HydrophobicContact CE1-CG 3.85Å; F416-Y456 AromaticContact CZ-CD2 3.89Å; F416-Y456 HydrophobicContact CZ-CD2 3.89Å; F416-Y456 HydrophobicContact CZ-CE2 4.33Å; F416-Y456 HydrophobicContact CZ-CG 4.47Å; Y456-I458 HydrophobicContact CD1-CD1 4.11Å; Y456-I458 HydrophobicContact CD1-CG1 4.38Å; Y456-I458 HydrophobicContact CE1-CD1 3.74Å; Y456-I458 HydrophobicContact CE1-CG1 4.04Å
457V96.2Very high93.6Very high33 Ų3348.1 Ų48.120%0.224%0.242CC..EExtended strand (participates in β ladder)trans-116.1128.1-169-176.30000110.9V204 L205 I206 P411 A412V204-V457 PolarHBondContact O-N 3.37Å; L205-V457 CarbonylContact C-O 3.56Å; L205-V457 WeakPolarHBondContact CA-O 3.4Å; L205-V457 HydrophobicContact CD1-CB 3.97Å; L205-V457 HydrophobicContact CD1-CG1 3.93Å; I206-V457 PolarHBondContact N-O 3.35Å; P411-V457 HydrophobicContact CB-CG1 3.61Å; P411-V457 HydrophobicContact CG-CG1 3.94Å; A412-V457 CarbonylContact O-C 3.58Å; A412-V457 WeakPolarHBondContact O-CA 3.32Å
458I95.1Very high93.7Very high6 Ų647 Ų473%0.03123%0.231CC..EExtended strand (participates in β ladder)trans-119.3117.8177.2-61.1146.6000108.2I206 L305 P411 A412 Y456I206-I458 HydrophobicContact CB-CB 4.48Å; I206-I458 HydrophobicContact CB-CG1 4.09Å; I206-I458 HydrophobicContact CB-CG2 4.43Å; I206-I458 HydrophobicContact CD1-CG1 3.86Å; I206-I458 HydrophobicContact CG1-CG1 4.45Å; I206-I458 HydrophobicContact CG2-CG2 4.39Å; L305-I458 HydrophobicContact CB-CD1 3.57Å; L305-I458 HydrophobicContact CB-CG2 4.29Å; L305-I458 HydrophobicContact CD2-CB 4.42Å; L305-I458 HydrophobicContact CD2-CD1 4.07Å; L305-I458 HydrophobicContact CD2-CG2 4.23Å; L305-I458 HydrophobicContact CG-CD1 4.48Å; P411-I458 CarbonylContact C-O 3.33Å; P411-I458 WeakPolarHBondContact CA-O 3.15Å; P411-I458 WeakPolarHBondContact CB-O 3.3Å; A412-I458 PolarHBondContact N-O 3.04Å; A412-I458 PolarHBondContact O-N 3.48Å; Y456-I458 HydrophobicContact CD1-CD1 4.11Å; Y456-I458 HydrophobicContact CD1-CG1 4.38Å; Y456-I458 HydrophobicContact CE1-CD1 3.74Å; Y456-I458 HydrophobicContact CE1-CG1 4.04Å
459R92.3Very high93.7Very high126 Ų12641.4 Ų41.448%0.47522%0.215SC..  trans-69.5136172.1-65.4179.9177.5170.3-0.1109I206 S208 P411I206-R459 PolarHBondContact O-N 3.45Å; S208-R459 VanDerWaalsContact CA-O 3.28Å; S208-R459 WeakPolarHBondContact CA-O 3.25Å; P411-R459 HydrophobicContact CB-CG 4.41Å
460I86Confident93.7Very high67 Ų6741.7 Ų41.734%0.34422%0.218SC..  trans-105.70178.6-60.5-166.8000109.7L305 P307 V309 L322 L341 A412L305-I460 HydrophobicContact CD2-CD1 4.29Å; P307-I460 HydrophobicContact CB-CD1 4Å; P307-I460 HydrophobicContact CB-CG1 4.22Å; P307-I460 HydrophobicContact CB-CG2 3.8Å; P307-I460 HydrophobicContact CG-CB 4.42Å; P307-I460 HydrophobicContact CG-CD1 4.46Å; P307-I460 HydrophobicContact CG-CG1 4.15Å; P307-I460 HydrophobicContact CG-CG2 3.96Å; V309-I460 HydrophobicContact CG2-CG2 3.83Å; L322-I460 HydrophobicContact CD2-CD1 4.35Å; L341-I460 HydrophobicContact CD1-CD1 3.6Å; L341-I460 HydrophobicContact CD2-CD1 4.12Å; L341-I460 HydrophobicContact CG-CD1 4.49Å; A412-I460 HydrophobicContact CB-CD1 3.82Å; A412-I460 HydrophobicContact CB-CG1 4.26Å

Retrieved 460 of 460 residues in 1091.8 ms (Link to these results)