A0A3Q0KG11_SCHMA Loading...

Translationally-controlled tumor protein homolog AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KG11, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 170 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
1M91.8Very high97.5Very high120 Ų12041.6 Ų41.659%0.59121%0.206SC*.  0138.90177.1177.874.800107.1V3 Y170M1-V3 HydrophobicContact CE-CG2 3.96Å; M1-Y170 HydrophobicContact CE-CD2 3.97Å; M1-Y170 HydrophobicContact CE-CG 4.15Å; M1-Y170 PolarHBondContact N-O 3.48Å; M1-Y170 PolarHBondContact O-N 2.73Å
2I96.9Very high97.5Very high45 Ų4545.3 Ų45.323%0.23122%0.222CC..EExtended strand (participates in β ladder)trans-115.2125.6175.5-56.7172.4000107.6Y4 T15 D16 Q167 E168I2-Y4 HydrophobicContact CB-CE2 4.33Å; I2-Y4 HydrophobicContact CG2-CD2 4.34Å; I2-Y4 HydrophobicContact CG2-CE2 3.89Å; I2-T15 CarbonylContact O-C 2.94Å; I2-T15 VanDerWaalsContact O-CA 3.22Å; I2-T15 WeakPolarHBondContact O-CA 3.49Å; I2-T15 WeakPolarHBondContact O-CB 3.26Å; I2-D16 HydrophobicContact CB-CB 3.98Å; I2-D16 PolarHBondContact N-OD1 2.81Å; I2-D16 PolarHBondContact N-OD2 3.39Å; I2-D16 VanDerWaalsContact N-OD2 3.09Å; I2-D16 PolarHBondContact O-N 2.63Å; I2-Q167 HydrophobicContact CG2-CB 3.99Å; I2-Q167 HydrophobicContact CG2-CG 4.26Å; I2-E168 WeakPolarHBondContact CA-O 3.49Å
3V97.9Very high97.5Very high3 Ų341.9 Ų41.92%0.01821%0.205CC..EExtended strand (participates in β ladder)trans-102.3130.2175.6-176.40000108.3M1 K5 E12 T15 Q167 E168 Y170M1-V3 HydrophobicContact CE-CG2 3.96Å; V3-K5 HydrophobicContact CG1-CG 4.02Å; V3-E12 HydrophobicContact CG1-CB 4.21Å; V3-E12 HydrophobicContact CG1-CG 3.44Å; V3-E12 VanDerWaalsContact CG1-CG 3.44Å; V3-T15 HydrophobicContact CG2-CG2 4.11Å; V3-Q167 WeakPolarHBondContact O-CA 3.47Å; V3-E168 PolarHBondContact N-O 2.83Å; V3-E168 PolarHBondContact O-N 2.65Å; V3-Y170 HydrophobicContact CB-CE2 4.1Å; V3-Y170 HydrophobicContact CG2-CD2 3.72Å; V3-Y170 HydrophobicContact CG2-CE2 3.55Å
4Y98.6Very high97.6Very high18 Ų1838.9 Ų38.97%0.07119%0.191CC..EExtended strand (participates in β ladder)trans-101.2117.5176.9-65.6-102.6000108.4I2 M13 F14 D16 P20 Y28 L165 T166 Q167I2-Y4 HydrophobicContact CB-CE2 4.33Å; I2-Y4 HydrophobicContact CG2-CD2 4.34Å; I2-Y4 HydrophobicContact CG2-CE2 3.89Å; Y4-M13 WeakPolarHBondContact O-CB 3.46Å; Y4-M13 PolarHBondContact O-N 3.36Å; Y4-F14 WeakPolarHBondContact CB-O 3.43Å; Y4-F14 AromaticContact CD1-CE2 3.74Å; Y4-F14 HydrophobicContact CD1-CE2 3.74Å; Y4-F14 AromaticContact CD1-CZ 3.66Å; Y4-F14 HydrophobicContact CD1-CZ 3.66Å; Y4-F14 AromaticContact CD2-CD2 3.54Å; Y4-F14 HydrophobicContact CD2-CD2 3.54Å; Y4-F14 AromaticContact CD2-CE2 3.22Å; Y4-F14 HydrophobicContact CD2-CE2 3.22Å; Y4-F14 HydrophobicContact CD2-CG 4.47Å; Y4-F14 AromaticContact CD2-CZ 3.96Å; Y4-F14 HydrophobicContact CD2-CZ 3.96Å; Y4-F14 HydrophobicContact CE1-CE2 4.1Å; Y4-F14 HydrophobicContact CE1-CZ 4.26Å; Y4-F14 HydrophobicContact CE2-CD2 4.16Å; Y4-F14 AromaticContact CE2-CE2 3.65Å; Y4-F14 HydrophobicContact CE2-CE2 3.65Å; Y4-F14 AromaticContact CG-CD2 3.88Å; Y4-F14 HydrophobicContact CG-CD2 3.88Å; Y4-F14 HydrophobicContact CG-CE1 4.22Å; Y4-F14 AromaticContact CG-CE2 3.28Å; Y4-F14 HydrophobicContact CG-CE2 3.28Å; Y4-F14 AromaticContact CG-CZ 3.49Å; Y4-F14 HydrophobicContact CG-CZ 3.49Å; Y4-F14 VanDerWaalsContact CG-CZ 3.49Å; Y4-F14 PolarHBondContact N-O 2.89Å; Y4-F14 PolarHBondContact O-N 2.77Å; Y4-D16 HydrophobicContact CE2-CB 4.37Å; Y4-P20 HydrophobicContact CE2-CG 4.22Å; Y4-Y28 HydrophobicContact CD1-CE2 4.09Å; Y4-Y28 HydrophobicContact CE1-CE1 4.48Å; Y4-Y28 AromaticContact CE1-CE2 3.88Å; Y4-Y28 HydrophobicContact CE1-CE2 3.88Å; Y4-Y28 AromaticContact CE1-CZ 3.82Å; Y4-L165 HydrophobicContact CD1-CD1 4.26Å; Y4-T166 WeakPolarHBondContact CA-O 3.45Å; Y4-Q167 HydrophobicContact CD1-CG 3.78Å; Y4-Q167 HydrophobicContact CE1-CG 3.64Å
5K98.6Very high97.6Very high34 Ų3437.4 Ų37.415%0.14818%0.184CC..EExtended strand (participates in β ladder)trans-113.6144.7-175.3-64.3-179169.8-177.60111.5V3 M7 D11 L165 T166 E168V3-K5 HydrophobicContact CG1-CG 4.02Å; K5-M7 PolarHBondContact O-N 2.93Å; K5-D11 CarbonylContact C-O 3.48Å; K5-D11 WeakPolarHBondContact CA-O 3.45Å; K5-L165 CarbonylContact O-C 3.56Å; K5-L165 WeakPolarHBondContact O-CA 3.47Å; K5-L165 WeakPolarHBondContact O-CD2 3.42Å; K5-T166 PolarHBondContact N-O 2.71Å; K5-T166 PolarHBondContact O-N 2.94Å; K5-T166 PolarHBondContact O-OG1 3.08Å; K5-E168 VanDerWaalsContact CE-OE2 3.23Å; K5-E168 WeakPolarHBondContact CE-OE2 3.49Å; K5-E168 IonicContact NZ-OE2 3.94Å; K5-E168 PolarHBondContact NZ-OE2 3.26Å
6D98.7Very high97.4Very high2 Ų238.7 Ų38.71%0.01119%0.192CC..EExtended strand (participates in β ladder)trans-61.9130.4170177.6-85.6000109.3I8 T9 E10 D11 M13 M143D6-I8 PolarHBondContact O-N 2.6Å; D6-I8 WeakPolarHBondContact OD1-CA 3.4Å; D6-I8 VanDerWaalsContact OD1-CB 3.28Å; D6-I8 WeakPolarHBondContact OD1-CB 3.41Å; D6-I8 PolarHBondContact OD1-N 2.76Å; D6-T9 PolarHBondContact OD1-N 3.48Å; D6-T9 PolarHBondContact OD1-OG1 3.47Å; D6-E10 WeakPolarHBondContact O-CA 3.12Å; D6-E10 PolarHBondContact O-N 2.94Å; D6-D11 PolarHBondContact N-O 2.76Å; D6-M13 HydrophobicContact CB-CG 4.05Å; D6-M13 HydrophobicContact CB-SD 3.9Å; D6-M143 WeakPolarHBondContact OD2-CB 3.16Å; D6-M143 PolarHBondContact OD2-N 3.06Å; D6-M143 VanDerWaalsContact OD2-N 3.11Å
7M97.3Very high97.3Very high27 Ų2741.5 Ų41.513%0.13322%0.217CC..THydrogen-bonded Turntrans-70.7-12.5-17469.4176.917700115.2K5 Y93 T96 I97 R100 G164 T166K5-M7 PolarHBondContact O-N 2.93Å; M7-Y93 HydrophobicContact CE-CE2 4.38Å; M7-T96 HydrophobicContact CE-CG2 3.65Å; M7-I97 HydrophobicContact CE-CD1 3.65Å; M7-I97 HydrophobicContact CE-CG1 4.46Å; M7-I97 HydrophobicContact SD-CD1 4.46Å; M7-R100 WeakPolarHBondContact SD-CD 3.14Å; M7-G164 WeakPolarHBondContact CB-O 3.02Å; M7-G164 VanDerWaalsContact CG-O 3.29Å; M7-G164 WeakPolarHBondContact CG-O 3.18Å; M7-G164 PolarHBondContact N-O 3.17Å; M7-T166 HydrophobicContact CB-CG2 4.24Å
8I97.9Very high97.1Very high63 Ų6341.5 Ų41.532%0.32322%0.215SC..THydrogen-bonded Turntrans-99.8-45.5-177.2-64.7169.7000109.6D6 Y93 T96 D141 A142D6-I8 PolarHBondContact O-N 2.6Å; D6-I8 WeakPolarHBondContact OD1-CA 3.4Å; D6-I8 VanDerWaalsContact OD1-CB 3.28Å; D6-I8 WeakPolarHBondContact OD1-CB 3.41Å; D6-I8 PolarHBondContact OD1-N 2.76Å; I8-Y93 HydrophobicContact CD1-CD2 4.49Å; I8-Y93 HydrophobicContact CD1-CE2 3.96Å; I8-T96 HydrophobicContact CD1-CG2 4.11Å; I8-D141 VanDerWaalsContact CD1-O 3.23Å; I8-D141 WeakPolarHBondContact CD1-O 3.14Å; I8-A142 HydrophobicContact CB-CB 4.43Å
9T98.1Very high97Very high28 Ų2844.6 Ų44.617%0.17224%0.239CC..THydrogen-bonded Turntrans-98.3-16.1-176.558.40000114D6 D11 N139 A142D6-T9 PolarHBondContact OD1-N 3.48Å; D6-T9 PolarHBondContact OD1-OG1 3.47Å; T9-D11 WeakPolarHBondContact CB-OD2 3.4Å; T9-D11 PolarHBondContact O-N 2.91Å; T9-D11 VanDerWaalsContact OG1-CB 3.28Å; T9-D11 WeakPolarHBondContact OG1-CB 3.41Å; T9-D11 PolarHBondContact OG1-N 2.85Å; T9-D11 PolarHBondContact OG1-OD2 2.88Å; T9-N139 HydrophobicContact CG2-CB 3.47Å; T9-N139 VanDerWaalsContact CG2-CB 3.47Å; T9-A142 HydrophobicContact CG2-CB 3.71Å
10E97.7Very high97Very high100 Ų10043.8 Ų43.847%0.46724%0.237SC..  trans59.516.2-167.4-60.6-68.4134.800113.2D6 E12D6-E10 WeakPolarHBondContact O-CA 3.12Å; D6-E10 PolarHBondContact O-N 2.94Å; E10-E12 PolarHBondContact O-N 3.11Å
11D98.4Very high97Very high18 Ų1847.3 Ų47.310%0.09625%0.247CC..  trans-62.1135.2173.8-73-24.9000109.7K5 D6 T9 M13 P136 S137K5-D11 CarbonylContact C-O 3.48Å; K5-D11 WeakPolarHBondContact CA-O 3.45Å; D6-D11 PolarHBondContact N-O 2.76Å; T9-D11 WeakPolarHBondContact CB-OD2 3.4Å; T9-D11 PolarHBondContact O-N 2.91Å; T9-D11 VanDerWaalsContact OG1-CB 3.28Å; T9-D11 WeakPolarHBondContact OG1-CB 3.41Å; T9-D11 PolarHBondContact OG1-N 2.85Å; T9-D11 PolarHBondContact OG1-OD2 2.88Å; D11-M13 HydrophobicContact CB-SD 4.03Å; D11-M13 PolarHBondContact O-N 3.29Å; D11-P136 HydrophobicContact CB-CG 4.15Å; D11-S137 WeakPolarHBondContact OD1-CB 3.42Å; D11-S137 PolarHBondContact OD1-OG 2.9Å; D11-S137 WeakPolarHBondContact OD2-CB 3.44Å; D11-S137 PolarHBondContact OD2-N 3.08Å; D11-S137 PolarHBondContact OD2-OG 2.86Å
12E97.5Very high97.3Very high86 Ų8645.5 Ų45.540%0.40224%0.242SC..EExtended strand (participates in β ladder)trans-69.4119.4172.1-178.6171.416500110.4V3 E10 T15 N74V3-E12 HydrophobicContact CG1-CB 4.21Å; V3-E12 HydrophobicContact CG1-CG 3.44Å; V3-E12 VanDerWaalsContact CG1-CG 3.44Å; E10-E12 PolarHBondContact O-N 3.11Å; E12-T15 WeakPolarHBondContact OE1-CG2 3.34Å; E12-N74 WeakPolarHBondContact CG-ND2 3.39Å; E12-N74 PolarHBondContact O-ND2 3.24Å
13M98.4Very high97.3Very high1 Ų145.2 Ų45.21%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-98.1-44.5-176-54.9-53.1-71.500112.2Y4 D6 D11 N74 F76 V145 F160 L165Y4-M13 WeakPolarHBondContact O-CB 3.46Å; Y4-M13 PolarHBondContact O-N 3.36Å; D6-M13 HydrophobicContact CB-CG 4.05Å; D6-M13 HydrophobicContact CB-SD 3.9Å; D11-M13 HydrophobicContact CB-SD 4.03Å; D11-M13 PolarHBondContact O-N 3.29Å; M13-N74 PolarHBondContact O-ND2 3.14Å; M13-F76 HydrophobicContact CB-CZ 4.3Å; M13-F76 HydrophobicContact CE-CE1 3.64Å; M13-F76 HydrophobicContact CE-CZ 3.68Å; M13-F76 WeakPolarHBondContact O-CZ 3.14Å; M13-F76 HydrophobicContact SD-CE1 3.92Å; M13-F76 HydrophobicContact SD-CZ 4.3Å; M13-V145 HydrophobicContact CE-CG2 3.24Å; M13-F160 HydrophobicContact CB-CD1 4.22Å; M13-F160 HydrophobicContact CB-CE1 3.88Å; M13-F160 HydrophobicContact CE-CD1 4.33Å; M13-F160 HydrophobicContact CE-CE1 4.02Å; M13-L165 HydrophobicContact CB-CD2 4.03Å; M13-L165 HydrophobicContact CG-CD2 3.67Å
14F98.2Very high97Very high0 Ų046.9 Ų46.90%026%0.256CS..EExtended strand (participates in β ladder)trans-166.7176.5173.560.4-88.4000109.7Y4 P20 Y28 V30 L70 F160 L165Y4-F14 WeakPolarHBondContact CB-O 3.43Å; Y4-F14 AromaticContact CD1-CE2 3.74Å; Y4-F14 HydrophobicContact CD1-CE2 3.74Å; Y4-F14 AromaticContact CD1-CZ 3.66Å; Y4-F14 HydrophobicContact CD1-CZ 3.66Å; Y4-F14 AromaticContact CD2-CD2 3.54Å; Y4-F14 HydrophobicContact CD2-CD2 3.54Å; Y4-F14 AromaticContact CD2-CE2 3.22Å; Y4-F14 HydrophobicContact CD2-CE2 3.22Å; Y4-F14 HydrophobicContact CD2-CG 4.47Å; Y4-F14 AromaticContact CD2-CZ 3.96Å; Y4-F14 HydrophobicContact CD2-CZ 3.96Å; Y4-F14 HydrophobicContact CE1-CE2 4.1Å; Y4-F14 HydrophobicContact CE1-CZ 4.26Å; Y4-F14 HydrophobicContact CE2-CD2 4.16Å; Y4-F14 AromaticContact CE2-CE2 3.65Å; Y4-F14 HydrophobicContact CE2-CE2 3.65Å; Y4-F14 AromaticContact CG-CD2 3.88Å; Y4-F14 HydrophobicContact CG-CD2 3.88Å; Y4-F14 HydrophobicContact CG-CE1 4.22Å; Y4-F14 AromaticContact CG-CE2 3.28Å; Y4-F14 HydrophobicContact CG-CE2 3.28Å; Y4-F14 AromaticContact CG-CZ 3.49Å; Y4-F14 HydrophobicContact CG-CZ 3.49Å; Y4-F14 VanDerWaalsContact CG-CZ 3.49Å; Y4-F14 PolarHBondContact N-O 2.89Å; Y4-F14 PolarHBondContact O-N 2.77Å; F14-P20 HydrophobicContact CD2-CB 4.47Å; F14-P20 HydrophobicContact CE2-CB 3.67Å; F14-P20 HydrophobicContact CE2-CG 3.88Å; F14-P20 HydrophobicContact CZ-CB 4.24Å; F14-Y28 AromaticContact CZ-CD2 3.98Å; F14-Y28 HydrophobicContact CZ-CD2 3.98Å; F14-Y28 HydrophobicContact CZ-CG 4.09Å; F14-V30 HydrophobicContact CD1-CG2 4.24Å; F14-V30 HydrophobicContact CD2-CG2 3.97Å; F14-V30 HydrophobicContact CE1-CG2 4.27Å; F14-V30 HydrophobicContact CE2-CG2 4.02Å; F14-V30 HydrophobicContact CG-CG2 4.09Å; F14-V30 HydrophobicContact CZ-CG2 4.17Å; F14-L70 HydrophobicContact CB-CD1 3.81Å; F14-F160 HydrophobicContact CD1-CD1 4.15Å; F14-F160 AromaticContact CD1-CD2 3.82Å; F14-F160 HydrophobicContact CD1-CD2 3.82Å; F14-F160 AromaticContact CD1-CE1 3.94Å; F14-F160 HydrophobicContact CD1-CE1 3.94Å; F14-F160 AromaticContact CD1-CE2 3.6Å; F14-F160 HydrophobicContact CD1-CE2 3.6Å; F14-F160 HydrophobicContact CD1-CG 4.09Å; F14-F160 AromaticContact CD1-CZ 3.67Å; F14-F160 HydrophobicContact CD1-CZ 3.67Å; F14-F160 HydrophobicContact CE1-CB 4.18Å; F14-F160 HydrophobicContact CE1-CD1 4.05Å; F14-F160 AromaticContact CE1-CD2 3.55Å; F14-F160 HydrophobicContact CE1-CD2 3.55Å; F14-F160 HydrophobicContact CE1-CE1 4.31Å; F14-F160 AromaticContact CE1-CE2 3.85Å; F14-F160 HydrophobicContact CE1-CE2 3.85Å; F14-F160 AromaticContact CE1-CG 3.66Å; F14-F160 HydrophobicContact CE1-CG 3.66Å; F14-F160 HydrophobicContact CE1-CZ 4.23Å; F14-F160 HydrophobicContact CG-CE2 4.48Å; F14-F160 HydrophobicContact CZ-CD2 4.48Å; F14-L165 HydrophobicContact CE1-CD1 3.53Å; F14-L165 HydrophobicContact CZ-CD1 3.74Å
15T97.2Very high96.8Very high16 Ų1649 Ų4910%0.09827%0.269CS..EExtended strand (participates in β ladder)trans-123.9165.1176.762.70000111.9I2 V3 E12 S17 H18I2-T15 CarbonylContact O-C 2.94Å; I2-T15 VanDerWaalsContact O-CA 3.22Å; I2-T15 WeakPolarHBondContact O-CA 3.49Å; I2-T15 WeakPolarHBondContact O-CB 3.26Å; V3-T15 HydrophobicContact CG2-CG2 4.11Å; E12-T15 WeakPolarHBondContact OE1-CG2 3.34Å; T15-S17 PolarHBondContact O-N 3.13Å; T15-S17 VanDerWaalsContact O-N 3.08Å; T15-S17 PolarHBondContact OG1-OG 2.84Å; T15-H18 PolarHBondContact O-N 2.78Å; T15-H18 VanDerWaalsContact O-N 3.08Å; T15-H18 PolarHBondContact O-ND1 2.78Å
16D95.9Very high96.7Very high58 Ų5847.4 Ų47.431%0.3126%0.262SS..G310 helixtrans-57.4-19.5175.857.9-18.7000114.3I2 Y4 H18 C19I2-D16 HydrophobicContact CB-CB 3.98Å; I2-D16 PolarHBondContact N-OD1 2.81Å; I2-D16 PolarHBondContact N-OD2 3.39Å; I2-D16 VanDerWaalsContact N-OD2 3.09Å; I2-D16 PolarHBondContact O-N 2.63Å; Y4-D16 HydrophobicContact CE2-CB 4.37Å; D16-H18 PolarHBondContact O-N 3.14Å; D16-C19 PolarHBondContact O-N 2.99Å
17S94.3Very high96.7Very high87 Ų8747.3 Ų47.361%0.60826%0.262SS*.G310 helixtrans-62.3-22.7174.373.30000113.6T15 C19T15-S17 PolarHBondContact O-N 3.13Å; T15-S17 VanDerWaalsContact O-N 3.08Å; T15-S17 PolarHBondContact OG1-OG 2.84Å; S17-C19 PolarHBondContact O-N 3.34Å
18H94.5Very high96.7Very high41 Ų4146.8 Ų46.819%0.1926%0.258CS..G310 helixtrans-855.9175.9-58.279.3000113.4T15 D16 V30 L70T15-H18 PolarHBondContact O-N 2.78Å; T15-H18 VanDerWaalsContact O-N 3.08Å; T15-H18 PolarHBondContact O-ND1 2.78Å; D16-H18 PolarHBondContact O-N 3.14Å; H18-V30 HydrophobicContact CB-CG1 3.23Å; H18-L70 WeakPolarHBondContact NE2-CD1 3.38Å
19C94.5Very high96.8Very high100 Ų10044.6 Ų44.668%0.67625%0.247SC*.  trans50.358.1174.6-62.80000113.5D16 S17 R21D16-C19 PolarHBondContact O-N 2.99Å; S17-C19 PolarHBondContact O-N 3.34Å; C19-R21 PolarHBondContact O-N 3.15Å
20P97.2Very high96.8Very high28 Ų2843.3 Ų43.318%0.18224%0.238CC..PPolyproline II helixtrans-59.7130.3-173.727.8-37.9000112Y4 F14 Y28 V30Y4-P20 HydrophobicContact CE2-CG 4.22Å; F14-P20 HydrophobicContact CD2-CB 4.47Å; F14-P20 HydrophobicContact CE2-CB 3.67Å; F14-P20 HydrophobicContact CE2-CG 3.88Å; F14-P20 HydrophobicContact CZ-CB 4.24Å; P20-Y28 HydrophobicContact CB-CD1 3.76Å; P20-Y28 HydrophobicContact CB-CE1 4.35Å; P20-Y28 HydrophobicContact CB-CG 4.23Å; P20-Y28 HydrophobicContact CG-CD1 4.47Å; P20-V30 HydrophobicContact CB-CG2 3.92Å
21R97.9Very high96.8Very high119 Ų11941.6 Ų41.645%0.44923%0.233SC..EExtended strand (participates in β ladder)trans-93129.2175.6-58.1-170-57.8-156.410.8109.9C19 Y28 E29 D31 R150C19-R21 PolarHBondContact O-N 3.15Å; R21-Y28 CarbonylContact O-C 3.49Å; R21-Y28 WeakPolarHBondContact O-CA 3.46Å; R21-E29 PolarHBondContact N-O 2.95Å; R21-E29 IonicContact NH2-OE2 2.76Å; R21-E29 PolarHBondContact NH2-OE2 3.17Å; R21-E29 PolarHBondContact O-N 3.32Å; R21-D31 IonicContact NH1-OD2 2.89Å; R21-R150 VanDerWaalsContact NH2-NH1 3.14Å
22V97.5Very high96.7Very high81 Ų8141.2 Ų41.249%0.49123%0.232SC..EExtended strand (participates in β ladder)trans-78.3123.7172.7179.70000109.2F27 Y28 K162V22-F27 WeakPolarHBondContact CA-O 3.39Å; V22-Y28 HydrophobicContact CG2-CD1 3.95Å; V22-Y28 HydrophobicContact CG2-CE1 3.53Å; V22-K162 HydrophobicContact CG1-CD 4.23Å; V22-K162 HydrophobicContact CG2-CD 4.34Å
23V96.7Very high96.6Very high39 Ų3945.4 Ų45.424%0.23624%0.244CC..EExtended strand (participates in β ladder)trans-119.8129178.5-175.90000109.8D25 F26 F27 E29 Y119V23-D25 PolarHBondContact O-N 3.04Å; V23-F26 PolarHBondContact O-N 3.36Å; V23-F27 HydrophobicContact CB-CB 4.4Å; V23-F27 PolarHBondContact N-O 2.98Å; V23-F27 PolarHBondContact O-N 3.12Å; V23-E29 HydrophobicContact CB-CG 4.39Å; V23-E29 HydrophobicContact CG2-CB 4.16Å; V23-E29 HydrophobicContact CG2-CG 3.7Å; V23-Y119 HydrophobicContact CG1-CD2 4.15Å; V23-Y119 HydrophobicContact CG1-CE2 3.74Å
24A92.6Very high96.4Very high38 Ų3848.6 Ų48.631%0.31426%0.258SS..THydrogen-bonded Turntrans53.521.5-178.900000115.2F26 F27A24-F26 WeakPolarHBondContact O-CD2 3.37Å; A24-F26 PolarHBondContact O-N 3.09Å; A24-F26 VanDerWaalsContact O-N 3.13Å; A24-F27 HydrophobicContact CB-CD2 4.43Å
25D93.1Very high96.2Very high62 Ų6251.3 Ų51.333%0.33227%0.274SS..THydrogen-bonded Turntrans68-14.7-174.1-167.741.9000116.5V23 K108 K162V23-D25 PolarHBondContact O-N 3.04Å; D25-K108 IonicContact OD1-NZ 2.69Å; D25-K108 PolarHBondContact OD1-NZ 3.43Å; D25-K108 WeakPolarHBondContact OD2-CE 3.3Å; D25-K108 IonicContact OD2-NZ 3.18Å; D25-K108 PolarHBondContact OD2-NZ 3.09Å; D25-K162 PolarHBondContact O-NZ 3.23Å; D25-K162 VanDerWaalsContact O-NZ 3.08Å; D25-K162 IonicContact OD1-NZ 3.33Å
26F96.5Very high95.9Very high2 Ų254.9 Ų54.91%0.00930%0.296CS..THydrogen-bonded Turntrans-113-7.7-172.3-64-70.6000114.9V23 A24 L101 K108 L111 L112 Q115 V116 K162V23-F26 PolarHBondContact O-N 3.36Å; A24-F26 WeakPolarHBondContact O-CD2 3.37Å; A24-F26 PolarHBondContact O-N 3.09Å; A24-F26 VanDerWaalsContact O-N 3.13Å; F26-L101 HydrophobicContact CE1-CD1 4.29Å; F26-K108 HydrophobicContact CE1-CB 4.11Å; F26-K108 HydrophobicContact CE1-CD 4.42Å; F26-K108 HydrophobicContact CZ-CB 4.22Å; F26-L111 HydrophobicContact CE2-CB 4.15Å; F26-L111 HydrophobicContact CZ-CB 4.01Å; F26-L112 HydrophobicContact CB-CD1 4.34Å; F26-L112 HydrophobicContact CD1-CB 4.38Å; F26-L112 HydrophobicContact CD1-CD1 3.28Å; F26-L112 HydrophobicContact CD1-CG 4.42Å; F26-L112 HydrophobicContact CE1-CB 3.85Å; F26-L112 HydrophobicContact CE1-CD1 3.6Å; F26-L112 HydrophobicContact CE1-CG 4.35Å; F26-L112 HydrophobicContact CG-CD1 3.82Å; F26-L112 VanDerWaalsContact CZ-CA 3.46Å; F26-L112 HydrophobicContact CZ-CB 3.98Å; F26-L112 HydrophobicContact CZ-CD1 4.39Å; F26-Q115 HydrophobicContact CD2-CB 3.54Å; F26-Q115 HydrophobicContact CD2-CG 4.11Å; F26-Q115 HydrophobicContact CE2-CB 3.74Å; F26-Q115 HydrophobicContact CE2-CG 3.87Å; F26-V116 HydrophobicContact CB-CG2 4.39Å; F26-K162 WeakPolarHBondContact O-CB 3.13Å; F26-K162 PolarHBondContact O-N 3.26Å
27F98.4Very high95.3Very high0 Ų054.4 Ų54.40%030%0.295CS..EExtended strand (participates in β ladder)trans-124.8147.6179.8-55.9-79.3000111.5V22 V23 A24 V116 Y119 M120 V159 F160 F161V22-F27 WeakPolarHBondContact CA-O 3.39Å; V23-F27 HydrophobicContact CB-CB 4.4Å; V23-F27 PolarHBondContact N-O 2.98Å; V23-F27 PolarHBondContact O-N 3.12Å; A24-F27 HydrophobicContact CB-CD2 4.43Å; F27-V116 HydrophobicContact CE2-CG2 4.36Å; F27-V116 HydrophobicContact CZ-CB 4.28Å; F27-V116 HydrophobicContact CZ-CG1 4.26Å; F27-V116 HydrophobicContact CZ-CG2 3.91Å; F27-Y119 HydrophobicContact CD2-CD1 4.24Å; F27-Y119 AromaticContact CD2-CD2 3.93Å; F27-Y119 HydrophobicContact CD2-CD2 3.93Å; F27-Y119 HydrophobicContact CD2-CE2 4.39Å; F27-Y119 AromaticContact CD2-CG 3.85Å; F27-Y119 HydrophobicContact CD2-CG 3.85Å; F27-Y119 HydrophobicContact CE1-CD1 4.33Å; F27-Y119 VanDerWaalsContact CE2-CB 3.46Å; F27-Y119 AromaticContact CE2-CD1 3.95Å; F27-Y119 HydrophobicContact CE2-CD1 3.95Å; F27-Y119 HydrophobicContact CE2-CD2 4.07Å; F27-Y119 AromaticContact CE2-CG 3.55Å; F27-Y119 HydrophobicContact CE2-CG 3.55Å; F27-Y119 AromaticContact CZ-CD1 3.99Å; F27-Y119 HydrophobicContact CZ-CD1 3.99Å; F27-Y119 HydrophobicContact CZ-CG 4.03Å; F27-M120 HydrophobicContact CE1-CE 3.66Å; F27-M120 HydrophobicContact CZ-CE 3.89Å; F27-V159 HydrophobicContact CB-CG1 4.02Å; F27-V159 HydrophobicContact CD1-CG1 3.87Å; F27-V159 HydrophobicContact CG-CG1 4.17Å; F27-F160 CarbonylContact C-O 3.59Å; F27-F160 WeakPolarHBondContact CA-O 3.2Å; F27-F161 HydrophobicContact CD1-CD1 4.22Å; F27-F161 HydrophobicContact CD1-CE1 4.33Å; F27-F161 AromaticContact CE1-CD1 3.7Å; F27-F161 HydrophobicContact CE1-CD1 3.7Å; F27-F161 AromaticContact CE1-CE1 3.38Å; F27-F161 HydrophobicContact CE1-CE1 3.38Å; F27-F161 HydrophobicContact CE1-CE2 4.28Å; F27-F161 HydrophobicContact CE1-CG 4.27Å; F27-F161 AromaticContact CE1-CZ 3.7Å; F27-F161 HydrophobicContact CE1-CZ 3.7Å; F27-F161 HydrophobicContact CZ-CD1 4.44Å; F27-F161 AromaticContact CZ-CE1 3.89Å; F27-F161 HydrophobicContact CZ-CE1 3.89Å; F27-F161 HydrophobicContact CZ-CZ 4.35Å
28Y98.6Very high94.6Very high15 Ų1553.5 Ų53.56%0.05929%0.289CS..EExtended strand (participates in β ladder)trans-100.3134155.7-70.7-66.1000109.1Y4 F14 P20 R21 V22 V159 F160 K162 L165 Q167Y4-Y28 HydrophobicContact CD1-CE2 4.09Å; Y4-Y28 HydrophobicContact CE1-CE1 4.48Å; Y4-Y28 AromaticContact CE1-CE2 3.88Å; Y4-Y28 HydrophobicContact CE1-CE2 3.88Å; Y4-Y28 AromaticContact CE1-CZ 3.82Å; F14-Y28 AromaticContact CZ-CD2 3.98Å; F14-Y28 HydrophobicContact CZ-CD2 3.98Å; F14-Y28 HydrophobicContact CZ-CG 4.09Å; P20-Y28 HydrophobicContact CB-CD1 3.76Å; P20-Y28 HydrophobicContact CB-CE1 4.35Å; P20-Y28 HydrophobicContact CB-CG 4.23Å; P20-Y28 HydrophobicContact CG-CD1 4.47Å; R21-Y28 CarbonylContact O-C 3.49Å; R21-Y28 WeakPolarHBondContact O-CA 3.46Å; V22-Y28 HydrophobicContact CG2-CD1 3.95Å; V22-Y28 HydrophobicContact CG2-CE1 3.53Å; Y28-V159 WeakPolarHBondContact O-CA 3.41Å; Y28-F160 PolarHBondContact N-O 2.85Å; Y28-F160 PolarHBondContact O-N 2.76Å; Y28-K162 HydrophobicContact CD2-CB 3.71Å; Y28-K162 HydrophobicContact CD2-CD 4.45Å; Y28-K162 HydrophobicContact CD2-CG 4.03Å; Y28-K162 HydrophobicContact CE1-CD 4.05Å; Y28-K162 HydrophobicContact CE2-CB 3.67Å; Y28-K162 HydrophobicContact CE2-CD 3.85Å; Y28-K162 HydrophobicContact CE2-CG 3.43Å; Y28-K162 VanDerWaalsContact CE2-CG 3.43Å; Y28-K162 HydrophobicContact CG-CB 4.4Å; Y28-L165 HydrophobicContact CD2-CD1 3.72Å; Y28-L165 HydrophobicContact CE2-CD1 4.17Å; Y28-Q167 PolarHBondContact OH-NE2 2.81Å
29E98.5Very high93.2Very high18 Ų1855.3 Ų55.38%0.08431%0.306CS..EExtended strand (participates in β ladder)trans-108.6132.5163.3-69.5-173.1-176.400110.1R21 V23 Y119 R150 Y157 F158 V159R21-E29 PolarHBondContact N-O 2.95Å; R21-E29 IonicContact NH2-OE2 2.76Å; R21-E29 PolarHBondContact NH2-OE2 3.17Å; R21-E29 PolarHBondContact O-N 3.32Å; V23-E29 HydrophobicContact CB-CG 4.39Å; V23-E29 HydrophobicContact CG2-CB 4.16Å; V23-E29 HydrophobicContact CG2-CG 3.7Å; E29-Y119 PolarHBondContact OE1-OH 3.03Å; E29-R150 IonicContact OE2-CZ 2.74Å; E29-R150 IonicContact OE2-NH1 3.91Å; E29-R150 PolarHBondContact OE2-NH1 2.9Å; E29-R150 IonicContact OE2-NH2 3.63Å; E29-R150 PolarHBondContact OE2-NH2 3.06Å; E29-R150 VanDerWaalsContact OE2-NH2 3.1Å; E29-Y157 HydrophobicContact CG-CD2 4.39Å; E29-F158 CarbonylContact C-O 3.55Å; E29-F158 VanDerWaalsContact CA-O 3.26Å; E29-F158 WeakPolarHBondContact CA-O 3.43Å; E29-V159 HydrophobicContact CG-CG2 4.3Å
30V98.5Very high91.5Very high0 Ų053.6 Ų53.60%029%0.29CS..EExtended strand (participates in β ladder)trans-125.6122.7-177.1179.90000108.9F14 H18 P20 L70 Y157 F158 F160F14-V30 HydrophobicContact CD1-CG2 4.24Å; F14-V30 HydrophobicContact CD2-CG2 3.97Å; F14-V30 HydrophobicContact CE1-CG2 4.27Å; F14-V30 HydrophobicContact CE2-CG2 4.02Å; F14-V30 HydrophobicContact CG-CG2 4.09Å; F14-V30 HydrophobicContact CZ-CG2 4.17Å; H18-V30 HydrophobicContact CB-CG1 3.23Å; P20-V30 HydrophobicContact CB-CG2 3.92Å; V30-L70 HydrophobicContact CG1-CD2 4.46Å; V30-Y157 CarbonylContact O-C 3.56Å; V30-Y157 WeakPolarHBondContact O-CA 3.15Å; V30-F158 PolarHBondContact N-O 3.17Å; V30-F158 PolarHBondContact O-N 3.02Å; V30-F160 HydrophobicContact CB-CE2 4.13Å; V30-F160 HydrophobicContact CG2-CD2 4.16Å; V30-F160 HydrophobicContact CG2-CE2 3.92Å
31D98.1Very high89.5Confident65 Ų6556.7 Ų56.735%0.34831%0.308SS..EExtended strand (participates in β ladder)trans-78138.1171.8-67.2-18.6000109.2R21 R150 T155R21-D31 IonicContact NH1-OD2 2.89Å; D31-R150 IonicContact OD1-CZ 2.74Å; D31-R150 IonicContact OD1-NE 3.34Å; D31-R150 PolarHBondContact OD1-NE 3.46Å; D31-R150 IonicContact OD1-NH2 3.83Å; D31-R150 PolarHBondContact OD1-NH2 3.31Å; D31-T155 HydrophobicContact CB-CG2 4.3Å
32S97Very high87.2Confident10 Ų1055 Ų557%0.0731%0.308CS..  trans-127176.8178.8174.80000108.5I68 D69 L70 P156S32-I68 WeakPolarHBondContact OG-CG2 3.02Å; S32-D69 PolarHBondContact OG-OD1 2.85Å; S32-L70 WeakPolarHBondContact OG-CB 3.29Å; S32-L70 PolarHBondContact OG-N 3.23Å; S32-P156 PolarHBondContact N-O 2.77Å; S32-P156 WeakPolarHBondContact O-CD 3.39Å; S32-P156 WeakPolarHBondContact O-CG 3.42Å
33R95.3Very high84.9Confident174 Ų17453.5 Ų53.566%0.65731%0.309SS*.  trans-140.5158.2-179.154.7179.5176.9-179.13.5110.5D69R33-D69 HydrophobicContact CG-CB 4.31Å; R33-D69 VanDerWaalsContact CG-CG 3.43Å; R33-D69 WeakPolarHBondContact CG-OD2 3.26Å; R33-D69 IonicContact CZ-OD2 2.63Å; R33-D69 PolarHBondContact N-OD1 2.84Å; R33-D69 IonicContact NE-OD2 2.71Å; R33-D69 PolarHBondContact NE-OD2 3.08Å; R33-D69 IonicContact NH2-OD2 3.84Å; R33-D69 PolarHBondContact O-N 2.86Å; R33-D69 VanDerWaalsContact O-OD1 3.12Å
34F94.7Very high82.6Confident68 Ų6862.1 Ų62.130%0.29834%0.337SS..EExtended strand (participates in β ladder)trans-76.1137.7166.4-68.1-81.9000110.5R66 V67 I68 F149 P156F34-R66 HydrophobicContact CB-CG 3.92Å; F34-R66 HydrophobicContact CD1-CG 3.88Å; F34-R66 HydrophobicContact CG-CG 4.21Å; F34-R66 VanDerWaalsContact CG-NE 3.27Å; F34-V67 CarbonylContact C-O 3.54Å; F34-V67 VanDerWaalsContact CA-O 3.28Å; F34-V67 WeakPolarHBondContact CA-O 3.38Å; F34-I68 HydrophobicContact CD1-CG1 3.97Å; F34-I68 HydrophobicContact CE1-CD1 4.36Å; F34-I68 HydrophobicContact CE1-CG1 3.65Å; F34-I68 HydrophobicContact CZ-CG1 4.27Å; F34-F149 AromaticContact CE2-CE1 3.79Å; F34-F149 HydrophobicContact CE2-CE1 3.79Å; F34-F149 HydrophobicContact CE2-CZ 4.46Å; F34-F149 AromaticContact CZ-CE1 3.77Å; F34-F149 HydrophobicContact CZ-CE1 3.77Å; F34-F149 AromaticContact CZ-CZ 3.98Å; F34-F149 HydrophobicContact CZ-CZ 3.98Å; F34-P156 HydrophobicContact CE2-CG 4.36Å
35T92.3Very high80.6Confident56 Ų5667.1 Ų67.134%0.34436%0.358SS..EExtended strand (participates in β ladder)trans-126.3160.6169.2-170.80000109.5V37 R66 V67 D69T35-V37 HydrophobicContact CG2-CG2 4.33Å; T35-R66 CarbonylContact O-C 3.45Å; T35-R66 WeakPolarHBondContact O-CA 3.28Å; T35-V67 HydrophobicContact CG2-CG2 3.67Å; T35-V67 PolarHBondContact N-O 3.33Å; T35-V67 PolarHBondContact O-N 3.37Å; T35-V67 VanDerWaalsContact O-O 3.12Å; T35-D69 HydrophobicContact CG2-CB 3.89Å
36T90.8Very high78.5Confident91 Ų9169.1 Ų69.156%0.55837%0.367SS*.EExtended strand (participates in β ladder)trans-103.8125.4175.2-61.70000108.3S64T36-S64 VanDerWaalsContact CG2-CB 3.46Å
37V84.3Confident75.9Confident49 Ų4972.6 Ų72.630%0.29740%0.404SS..EExtended strand (participates in β ladder)trans-110.9116.8174.6179.40000107.5T35 S64 K65 V67 H72T35-V37 HydrophobicContact CG2-CG2 4.33Å; V37-S64 WeakPolarHBondContact O-CA 3.04Å; V37-K65 PolarHBondContact N-O 2.74Å; V37-K65 PolarHBondContact O-N 3.42Å; V37-V67 HydrophobicContact CB-CG2 4.44Å; V37-V67 HydrophobicContact CG2-CG2 3.51Å; V37-H72 VanDerWaalsContact CG2-CD2 3.49Å; V37-H72 WeakPolarHBondContact CG2-CD2 3.41Å
38S79.8Confident73.3Confident68 Ų6876.3 Ų76.348%0.47644%0.435SS..EExtended strand (participates in β ladder)trans-88.2127.8174.758.30000110.3N40S38-N40 PolarHBondContact O-N 3.41Å
39S65.6Low70.6Confident78 Ų7881.9 Ų81.955%0.54547%0.466SS..  trans-73.2-4.9167.231.10000113.7V41 T63S39-V41 PolarHBondContact O-N 2.65Å; S39-T63 WeakPolarHBondContact OG-CB 3.29Å; S39-T63 PolarHBondContact OG-O 3.12Å; S39-T63 PolarHBondContact OG-OG1 3.3Å
40N58.1Low68.2Low65 Ų6587.1 Ų87.135%0.34850%0.501SS..  trans-62.7101.2174.9-66.8-22.7000109S38 D42S38-N40 PolarHBondContact O-N 3.41Å; N40-D42 PolarHBondContact O-N 2.82Å; N40-D42 VanDerWaalsContact O-N 3.11Å
41V55.8Low65.8Low93 Ų9392.4 Ų92.456%0.56454%0.538SS*.  trans-55.3116.6160.3-177.60000105.1S39 G43 I46S39-V41 PolarHBondContact O-N 2.65Å; V41-G43 PolarHBondContact O-N 2.85Å; V41-I46 HydrophobicContact CB-CD1 4.08Å; V41-I46 HydrophobicContact CB-CG1 4.39Å; V41-I46 HydrophobicContact CG1-CD1 4.01Å; V41-I46 HydrophobicContact CG1-CG1 3.77Å
42D49.6Very low63.1Low84 Ų8492.5 Ų92.545%0.44956%0.555SS.*  trans-48.3114.9179.6-172.2-9.7000107.9N40 R44 L45N40-D42 PolarHBondContact O-N 2.82Å; N40-D42 VanDerWaalsContact O-N 3.11Å; D42-R44 PolarHBondContact O-N 3.04Å; D42-R44 WeakPolarHBondContact OD1-CG 3.39Å; D42-R44 PolarHBondContact OD1-N 2.8Å; D42-L45 HydrophobicContact CB-CD1 4.29Å; D42-L45 HydrophobicContact CB-CG 4.43Å; D42-L45 WeakPolarHBondContact O-CB 3.48Å; D42-L45 PolarHBondContact O-N 2.87Å
43G48.8Very low60.2Low49 Ų49102 Ų10251%0.50560%0.598SS.*THydrogen-bonded Turntrans-60.2-8.2-176.300000112.8V41V41-G43 PolarHBondContact O-N 2.85Å
44R49.1Very low57.3Low220 Ų22097.7 Ų97.783%0.8361%0.608SS**THydrogen-bonded Turntrans-72.6-26.8167.8-62174.5-172.5174.84.9113.6D42D42-R44 PolarHBondContact O-N 3.04Å; D42-R44 WeakPolarHBondContact OD1-CG 3.39Å; D42-R44 PolarHBondContact OD1-N 2.8Å
45L50.6Low54.5Low142 Ų14298.1 Ų98.174%0.74363%0.632SS**THydrogen-bonded Turntrans-84.7-30.5176.7-67171.9000112.1D42 G47D42-L45 HydrophobicContact CB-CD1 4.29Å; D42-L45 HydrophobicContact CB-CG 4.43Å; D42-L45 WeakPolarHBondContact O-CB 3.48Å; D42-L45 PolarHBondContact O-N 2.87Å; L45-G47 PolarHBondContact O-N 2.87Å; L45-G47 VanDerWaalsContact O-N 3.14Å
46I48.1Very low51.9Low104 Ų104104.5 Ų104.553%0.53366%0.658SS.*THydrogen-bonded Turntrans-77.297.8167.1-51.3176.6000104.9V41 A48V41-I46 HydrophobicContact CB-CD1 4.08Å; V41-I46 HydrophobicContact CB-CG1 4.39Å; V41-I46 HydrophobicContact CG1-CD1 4.01Å; V41-I46 HydrophobicContact CG1-CG1 3.77Å; I46-A48 PolarHBondContact O-N 2.87Å
47G42.7Very low49.5Very low76 Ų76107.5 Ų107.578%0.78467%0.671SS**THydrogen-bonded Turntrans-60.164.9-173.200000115L45 N49L45-G47 PolarHBondContact O-N 2.87Å; L45-G47 VanDerWaalsContact O-N 3.14Å; G47-N49 PolarHBondContact O-N 3.02Å; G47-N49 VanDerWaalsContact O-N 3.08Å
48A43.2Very low47.6Very low78 Ų78113.7 Ų113.765%0.64570%0.696SS**  trans-71.8103177.900000107.4I46 P50I46-A48 PolarHBondContact O-N 2.87Å; A48-P50 WeakPolarHBondContact O-CD 3.44Å
49N42.6Very low46Very low131 Ų131117.7 Ų117.770%0.70171%0.712SS**  trans-54.3120171.9-170.94.5000109.1G47 S51G47-N49 PolarHBondContact O-N 3.02Å; G47-N49 VanDerWaalsContact O-N 3.08Å; N49-S51 PolarHBondContact O-N 3.46Å
50P47.1Very low45.2Very low129 Ų129118.2 Ų118.284%0.83871%0.712SS**SBendtrans-70.99.1-172.8-13.627.3000115.4A48 G52A48-P50 WeakPolarHBondContact O-CD 3.44Å; P50-G52 PolarHBondContact O-N 2.96Å
51S49Very low44.8Very low110 Ų110121.1 Ų121.177%0.76973%0.728SS**  trans-97.280.7-177.5-78.30000111N49N49-S51 PolarHBondContact O-N 3.46Å
52G40.3Very low44.7Very low68 Ų68121.8 Ų121.870%0.70173%0.728SS**  trans-174.488.5171.300000110.7P50 G54P50-G52 PolarHBondContact O-N 2.96Å; G52-G54 PolarHBondContact O-N 3.38Å
53E36.8Very low45.6Very low208 Ų208121 Ų12197%0.97273%0.726SS**  trans-55.1131.7168.4-62-177.313300110.6
54G34.9Very low46.9Very low84 Ų84121 Ų12187%0.86672%0.718SS**  trans110.897.6164.400000114.7G52G52-G54 PolarHBondContact O-N 3.38Å
55G36.1Very low48.7Very low78 Ų78117.6 Ų117.680%0.80471%0.709SS**  trans-179.568.3172.900000110.3
56E37.8Very low50.6Low190 Ų190118.2 Ų118.289%0.88870%0.702SS**  trans-61.8146.4156.9-68.5173.1147.700108.6
57D38.9Very low52.7Low154 Ų154114.5 Ų114.582%0.82468%0.684SS**  trans6776.9171.4-68.2-23.2000118
58E45.8Very low55.3Low178 Ų178111.6 Ų111.683%0.83265%0.651SS**  trans-11797.9130.3-71.5-165.7-178.900107.5V60E58-V60 HydrophobicContact CB-CG2 4.37Å; E58-V60 WeakPolarHBondContact O-CG2 3.27Å; E58-V60 PolarHBondContact O-N 3.02Å
59N44.6Very low57.7Low152 Ų152109.1 Ų109.181%0.81363%0.626SS**  trans-52.882.9151.6-165.6-13.3000105.3D61N59-D61 PolarHBondContact O-N 3.37Å
60V50.4Low60.3Low90 Ų90102.9 Ų102.955%0.54559%0.593SS.*  trans-6491.2176.4-178.20000103.3E58 D62E58-V60 HydrophobicContact CB-CG2 4.37Å; E58-V60 WeakPolarHBondContact O-CG2 3.27Å; E58-V60 PolarHBondContact O-N 3.02Å; V60-D62 VanDerWaalsContact C-N 3.35Å; V60-D62 PolarHBondContact O-N 2.97Å
61D49.7Very low62.7Low126 Ų12698 Ų9867%0.67456%0.56SS**  trans-46.9108.5177.1-156.64.7000104.2N59 T63N59-D61 PolarHBondContact O-N 3.37Å; D61-T63 WeakPolarHBondContact O-CG2 3.39Å; D61-T63 PolarHBondContact O-N 3.35Å
62D53.6Low64.9Low106 Ų10697.9 Ų97.957%0.56755%0.548SS*.  trans-70.385.3-171.5-169.917.2000104.9V60 S64V60-D62 VanDerWaalsContact C-N 3.35Å; V60-D62 PolarHBondContact O-N 2.97Å; D62-S64 PolarHBondContact O-N 2.82Å
63T66.9Low67.4Low69 Ų6998.4 Ų98.442%0.42355%0.545SS..  trans-73.135.1-176.243.50000109.8S39 D61 K65S39-T63 WeakPolarHBondContact OG-CB 3.29Å; S39-T63 PolarHBondContact OG-O 3.12Å; S39-T63 PolarHBondContact OG-OG1 3.3Å; D61-T63 WeakPolarHBondContact O-CG2 3.39Å; D61-T63 PolarHBondContact O-N 3.35Å; T63-K65 PolarHBondContact O-N 3.34Å
64S77.7Confident70.3Confident47 Ų4789.4 Ų89.433%0.32950%0.504SS..EExtended strand (participates in β ladder)trans-75.2122.7176.3750000108.8T36 V37 D62T36-S64 VanDerWaalsContact CG2-CB 3.46Å; V37-S64 WeakPolarHBondContact O-CA 3.04Å; D62-S64 PolarHBondContact O-N 2.82Å
65K85.9Confident73.2Confident149 Ų14987.1 Ų87.165%0.64848%0.48SS*.EExtended strand (participates in β ladder)trans-105.3127.4178.8-171.6178.6178.9-178.40108.9V37 T63 V67V37-K65 PolarHBondContact N-O 2.74Å; V37-K65 PolarHBondContact O-N 3.42Å; T63-K65 PolarHBondContact O-N 3.34Å; K65-V67 HydrophobicContact CB-CG1 4.39Å; K65-V67 HydrophobicContact CD-CG1 4.06Å; K65-V67 HydrophobicContact CG-CG1 3.93Å; K65-V67 PolarHBondContact O-N 2.87Å
66R89.6Confident76.2Confident155 Ų15584 Ų8459%0.58545%0.445SS*.EExtended strand (participates in β ladder)trans-74.8122.9168.4-168.8176176.5-176.3-3.4108.8F34 T35F34-R66 HydrophobicContact CB-CG 3.92Å; F34-R66 HydrophobicContact CD1-CG 3.88Å; F34-R66 HydrophobicContact CG-CG 4.21Å; F34-R66 VanDerWaalsContact CG-NE 3.27Å; T35-R66 CarbonylContact O-C 3.45Å; T35-R66 WeakPolarHBondContact O-CA 3.28Å
67V93.2Very high79Confident26 Ų2678.2 Ų78.216%0.15842%0.419CS..EExtended strand (participates in β ladder)trans-132.1159.8-179.1-58.60000110.1F34 T35 V37 K65 H72F34-V67 CarbonylContact C-O 3.54Å; F34-V67 VanDerWaalsContact CA-O 3.28Å; F34-V67 WeakPolarHBondContact CA-O 3.38Å; T35-V67 HydrophobicContact CG2-CG2 3.67Å; T35-V67 PolarHBondContact N-O 3.33Å; T35-V67 PolarHBondContact O-N 3.37Å; T35-V67 VanDerWaalsContact O-O 3.12Å; V37-V67 HydrophobicContact CB-CG2 4.44Å; V37-V67 HydrophobicContact CG2-CG2 3.51Å; K65-V67 HydrophobicContact CB-CG1 4.39Å; K65-V67 HydrophobicContact CD-CG1 4.06Å; K65-V67 HydrophobicContact CG-CG1 3.93Å; K65-V67 PolarHBondContact O-N 2.87Å; V67-H72 HydrophobicContact CB-CB 4.35Å; V67-H72 HydrophobicContact CG2-CB 3.77Å
68I96.2Very high81.8Confident16 Ų1674.4 Ų74.48%0.08240%0.404CS..EExtended strand (participates in β ladder)trans-80.7127.7170.6-60.8173.9000107.7S32 F34 L70 V71 H72 M147 P156 F158S32-I68 WeakPolarHBondContact OG-CG2 3.02Å; F34-I68 HydrophobicContact CD1-CG1 3.97Å; F34-I68 HydrophobicContact CE1-CD1 4.36Å; F34-I68 HydrophobicContact CE1-CG1 3.65Å; F34-I68 HydrophobicContact CZ-CG1 4.27Å; I68-L70 PolarHBondContact O-N 3.31Å; I68-V71 HydrophobicContact CB-CB 4.13Å; I68-V71 HydrophobicContact CB-CG2 3.95Å; I68-V71 HydrophobicContact CG2-CG2 4.05Å; I68-V71 PolarHBondContact O-N 3.46Å; I68-H72 WeakPolarHBondContact O-CB 3.47Å; I68-H72 PolarHBondContact O-N 3.29Å; I68-M147 HydrophobicContact CD1-CE 3.57Å; I68-P156 HydrophobicContact CD1-CB 4.26Å; I68-P156 HydrophobicContact CG2-CG 4.27Å; I68-F158 HydrophobicContact CD1-CZ 4.31Å; I68-F158 HydrophobicContact CG2-CE2 3.67Å; I68-F158 HydrophobicContact CG2-CZ 3.77Å
69D95.4Very high84.2Confident25 Ų2567.2 Ų67.213%0.13437%0.373CS..Hα-helixtrans-62.4-42.2-170.568.5-20.7000112.8S32 R33 T35 H72 A73S32-D69 PolarHBondContact OG-OD1 2.85Å; R33-D69 HydrophobicContact CG-CB 4.31Å; R33-D69 VanDerWaalsContact CG-CG 3.43Å; R33-D69 WeakPolarHBondContact CG-OD2 3.26Å; R33-D69 IonicContact CZ-OD2 2.63Å; R33-D69 PolarHBondContact N-OD1 2.84Å; R33-D69 IonicContact NE-OD2 2.71Å; R33-D69 PolarHBondContact NE-OD2 3.08Å; R33-D69 IonicContact NH2-OD2 3.84Å; R33-D69 PolarHBondContact O-N 2.86Å; R33-D69 VanDerWaalsContact O-OD1 3.12Å; T35-D69 HydrophobicContact CG2-CB 3.89Å; D69-H72 PolarHBondContact O-N 3.29Å; D69-A73 WeakPolarHBondContact O-CB 3.06Å; D69-A73 PolarHBondContact O-N 2.9Å
70L96.8Very high86.6Confident0 Ų066 Ų660%037%0.373CS..Hα-helixtrans-63.2-46.2177.2-172.868.2000111.8F14 H18 V30 S32 I68 H72 A73 N74 F76 F158 F160F14-L70 HydrophobicContact CB-CD1 3.81Å; H18-L70 WeakPolarHBondContact NE2-CD1 3.38Å; V30-L70 HydrophobicContact CG1-CD2 4.46Å; S32-L70 WeakPolarHBondContact OG-CB 3.29Å; S32-L70 PolarHBondContact OG-N 3.23Å; I68-L70 PolarHBondContact O-N 3.31Å; L70-H72 VanDerWaalsContact C-N 3.29Å; L70-H72 PolarHBondContact O-N 3.28Å; L70-A73 PolarHBondContact O-N 3.35Å; L70-N74 WeakPolarHBondContact CD1-OD1 3.32Å; L70-N74 WeakPolarHBondContact O-CB 3.19Å; L70-N74 PolarHBondContact O-N 3.05Å; L70-N74 PolarHBondContact O-OD1 3.04Å; L70-F76 HydrophobicContact CD2-CE2 4.31Å; L70-F76 HydrophobicContact CG-CE2 4.22Å; L70-F158 HydrophobicContact CB-CE2 4.36Å; L70-F158 HydrophobicContact CD2-CB 4.03Å; L70-F158 HydrophobicContact CD2-CD1 4.28Å; L70-F158 HydrophobicContact CD2-CD2 3.59Å; L70-F158 HydrophobicContact CD2-CE2 4.15Å; L70-F158 HydrophobicContact CD2-CG 3.69Å; L70-F160 HydrophobicContact CD2-CE2 4.39Å; L70-F160 HydrophobicContact CD2-CZ 4.01Å
71V97Very high88.8Confident26 Ų2664 Ų6416%0.15836%0.357CS..Hα-helixtrans-59.2-44.6177.7172.80000110.6I68 G75 F76 Y133 F158I68-V71 HydrophobicContact CB-CB 4.13Å; I68-V71 HydrophobicContact CB-CG2 3.95Å; I68-V71 HydrophobicContact CG2-CG2 4.05Å; I68-V71 PolarHBondContact O-N 3.46Å; V71-G75 PolarHBondContact O-N 2.84Å; V71-G75 VanDerWaalsContact O-N 3.12Å; V71-F76 HydrophobicContact CB-CB 4.41Å; V71-F76 HydrophobicContact CG1-CB 4.09Å; V71-F76 HydrophobicContact CG2-CD2 4.39Å; V71-F76 PolarHBondContact O-N 3.43Å; V71-Y133 HydrophobicContact CB-CE1 4.49Å; V71-Y133 HydrophobicContact CG1-CD1 4.24Å; V71-Y133 HydrophobicContact CG1-CE1 3.76Å; V71-Y133 HydrophobicContact CG2-CD1 4.24Å; V71-Y133 HydrophobicContact CG2-CE1 3.82Å; V71-F158 HydrophobicContact CG2-CE1 3.68Å; V71-F158 HydrophobicContact CG2-CZ 3.41Å; V71-F158 VanDerWaalsContact CG2-CZ 3.41Å
72H95Very high91.1Very high108 Ų10862.3 Ų62.350%0.535%0.348SS..Hα-helixtrans-71.4-44.3-177.9-174.947000112.6V37 V67 I68 D69 L70V37-H72 VanDerWaalsContact CG2-CD2 3.49Å; V37-H72 WeakPolarHBondContact CG2-CD2 3.41Å; V67-H72 HydrophobicContact CB-CB 4.35Å; V67-H72 HydrophobicContact CG2-CB 3.77Å; I68-H72 WeakPolarHBondContact O-CB 3.47Å; I68-H72 PolarHBondContact O-N 3.29Å; D69-H72 PolarHBondContact O-N 3.29Å; L70-H72 VanDerWaalsContact C-N 3.29Å; L70-H72 PolarHBondContact O-N 3.28Å
73A94.1Very high93.1Very high79 Ų7960.7 Ų60.765%0.65334%0.337SS*.Hα-helixtrans-66.3-38.4-17800000112.4D69 L70D69-A73 WeakPolarHBondContact O-CB 3.06Å; D69-A73 PolarHBondContact O-N 2.9Å; L70-A73 PolarHBondContact O-N 3.35Å
74N96.1Very high94.6Very high19 Ų1965.8 Ų65.810%0.10235%0.354CS..Hα-helixtrans-96.3-0.1-176.2-66.683.2000113.5E12 M13 L70 F76 P136E12-N74 WeakPolarHBondContact CG-ND2 3.39Å; E12-N74 PolarHBondContact O-ND2 3.24Å; M13-N74 PolarHBondContact O-ND2 3.14Å; L70-N74 WeakPolarHBondContact CD1-OD1 3.32Å; L70-N74 WeakPolarHBondContact O-CB 3.19Å; L70-N74 PolarHBondContact O-N 3.05Å; L70-N74 PolarHBondContact O-OD1 3.04Å; N74-F76 VanDerWaalsContact C-N 3.29Å; N74-F76 HydrophobicContact CB-CD1 3.83Å; N74-F76 HydrophobicContact CB-CE1 3.59Å; N74-F76 HydrophobicContact CB-CG 4.45Å; N74-F76 HydrophobicContact CB-CZ 4.02Å; N74-F76 PolarHBondContact O-N 2.82Å; N74-P136 WeakPolarHBondContact O-CD 3.4Å
75G96.3Very high95.5Very high36 Ų3665.6 Ų65.637%0.37135%0.352SS..THydrogen-bonded Turntrans6433.5178.500000113.2V71V71-G75 PolarHBondContact O-N 2.84Å; V71-G75 VanDerWaalsContact O-N 3.12Å
76F98.2Very high96.1Very high13 Ų1358.6 Ų58.66%0.05732%0.322CS..  trans-65.8142178.6-71.6-7.8000111.6M13 L70 V71 N74 Y133 M134 V145 F158 F160M13-F76 HydrophobicContact CB-CZ 4.3Å; M13-F76 HydrophobicContact CE-CE1 3.64Å; M13-F76 HydrophobicContact CE-CZ 3.68Å; M13-F76 WeakPolarHBondContact O-CZ 3.14Å; M13-F76 HydrophobicContact SD-CE1 3.92Å; M13-F76 HydrophobicContact SD-CZ 4.3Å; L70-F76 HydrophobicContact CD2-CE2 4.31Å; L70-F76 HydrophobicContact CG-CE2 4.22Å; V71-F76 HydrophobicContact CB-CB 4.41Å; V71-F76 HydrophobicContact CG1-CB 4.09Å; V71-F76 HydrophobicContact CG2-CD2 4.39Å; V71-F76 PolarHBondContact O-N 3.43Å; N74-F76 VanDerWaalsContact C-N 3.29Å; N74-F76 HydrophobicContact CB-CD1 3.83Å; N74-F76 HydrophobicContact CB-CE1 3.59Å; N74-F76 HydrophobicContact CB-CG 4.45Å; N74-F76 HydrophobicContact CB-CZ 4.02Å; N74-F76 PolarHBondContact O-N 2.82Å; F76-Y133 HydrophobicContact CB-CD1 3.86Å; F76-Y133 HydrophobicContact CB-CG 4.34Å; F76-M134 WeakPolarHBondContact CA-O 3.36Å; F76-V145 HydrophobicContact CE2-CG1 4.34Å; F76-V145 HydrophobicContact CE2-CG2 4.27Å; F76-V145 HydrophobicContact CZ-CG2 4.27Å; F76-F158 HydrophobicContact CD2-CE1 4.46Å; F76-F160 HydrophobicContact CE2-CE1 4.16Å; F76-F160 HydrophobicContact CE2-CZ 4.12Å; F76-F160 AromaticContact CZ-CE1 3.96Å; F76-F160 HydrophobicContact CZ-CE1 3.96Å; F76-F160 HydrophobicContact CZ-CZ 4.24Å
77I97.9Very high96.4Very high69 Ų6954.9 Ų54.935%0.35431%0.31SS..EExtended strand (participates in β ladder)trans-112.5119.9-176.7-62.7161.9000108.2Y133 M134 S138I77-Y133 CarbonylContact O-C 3.59Å; I77-Y133 VanDerWaalsContact O-CA 3.29Å; I77-Y133 WeakPolarHBondContact O-CA 3.29Å; I77-M134 PolarHBondContact N-O 3.21Å; I77-M134 PolarHBondContact O-N 2.92Å; I77-S138 WeakPolarHBondContact CD1-OG 3.24Å
78S97Very high96.6Very high73 Ų7356.2 Ų56.251%0.5132%0.323SS..EExtended strand (participates in β ladder)trans-65.9135175.8-176.20000110.4F132S78-F132 WeakPolarHBondContact CA-O 3.3Å
79V96.4Very high96.7Very high28 Ų2856.7 Ų56.717%0.1733%0.325CS..  trans-128.2126.9-179.9-175.80000109.4F81 F132 M134V79-F81 HydrophobicContact CB-CD2 4.43Å; V79-F81 HydrophobicContact CB-CE2 4.21Å; V79-F81 HydrophobicContact CG1-CD2 4.14Å; V79-F81 HydrophobicContact CG1-CE2 3.81Å; V79-F81 HydrophobicContact CG1-CZ 4.46Å; V79-F81 PolarHBondContact O-N 3.08Å; V79-F132 PolarHBondContact N-O 3Å; V79-M134 HydrophobicContact CG2-CB 4.17Å; V79-M134 HydrophobicContact CG2-CE 3.43Å; V79-M134 VanDerWaalsContact CG2-CE 3.43Å; V79-M134 HydrophobicContact CG2-CG 3.66Å; V79-M134 HydrophobicContact CG2-SD 4.01Å
80P95.5Very high96.8Very high125 Ų12556 Ų5681%0.81232%0.322SS*.  trans-72.1128.3174.130.2-33000109.7
81F97Very high96.8Very high49 Ų4960.8 Ų60.822%0.21535%0.347CS..  trans-120.5149.7167.7-85.3-80.3000110.2V79 Y86 H89 F127 F132 I144V79-F81 HydrophobicContact CB-CD2 4.43Å; V79-F81 HydrophobicContact CB-CE2 4.21Å; V79-F81 HydrophobicContact CG1-CD2 4.14Å; V79-F81 HydrophobicContact CG1-CE2 3.81Å; V79-F81 HydrophobicContact CG1-CZ 4.46Å; V79-F81 PolarHBondContact O-N 3.08Å; F81-Y86 HydrophobicContact CG-CD2 4.43Å; F81-H89 HydrophobicContact CE1-CB 4.3Å; F81-F127 HydrophobicContact CB-CZ 3.89Å; F81-F127 WeakPolarHBondContact O-CE1 3.5Å; F81-F132 HydrophobicContact CB-CD2 4.1Å; F81-F132 HydrophobicContact CB-CE2 4.39Å; F81-F132 HydrophobicContact CB-CG 4.25Å; F81-F132 HydrophobicContact CD2-CB 3.72Å; F81-F132 HydrophobicContact CD2-CD1 4.2Å; F81-F132 HydrophobicContact CD2-CD2 4.48Å; F81-F132 AromaticContact CD2-CG 3.88Å; F81-F132 HydrophobicContact CD2-CG 3.88Å; F81-F132 HydrophobicContact CE2-CB 4.37Å; F81-F132 HydrophobicContact CG-CG 4.47Å; F81-I144 HydrophobicContact CD2-CG2 4.49Å; F81-I144 HydrophobicContact CE2-CD1 3.77Å; F81-I144 HydrophobicContact CE2-CG1 3.87Å; F81-I144 HydrophobicContact CE2-CG2 4.05Å; F81-I144 HydrophobicContact CZ-CD1 4.06Å; F81-I144 HydrophobicContact CZ-CG1 3.99Å
82D97.1Very high96.8Very high91 Ų9164.4 Ų64.449%0.48737%0.365SS..  trans-100.8165.3156.369.561.5000109.1K84 S85 Y86D82-K84 PolarHBondContact O-N 2.89Å; D82-K84 VanDerWaalsContact O-N 3.14Å; D82-K84 VanDerWaalsContact OD1-CA 3.3Å; D82-K84 WeakPolarHBondContact OD1-CA 3.34Å; D82-K84 VanDerWaalsContact OD1-CB 3.26Å; D82-K84 WeakPolarHBondContact OD1-CB 3.35Å; D82-K84 PolarHBondContact OD1-N 2.8Å; D82-S85 PolarHBondContact N-OG 3.24Å; D82-S85 VanDerWaalsContact N-OG 3.09Å; D82-S85 PolarHBondContact O-N 2.83Å; D82-S85 PolarHBondContact O-OG 3.18Å; D82-S85 VanDerWaalsContact O-OG 3.09Å; D82-S85 PolarHBondContact OD1-N 2.87Å; D82-S85 PolarHBondContact OD1-OG 3.12Å; D82-S85 VanDerWaalsContact OD1-OG 3.12Å; D82-S85 PolarHBondContact OD2-OG 2.85Å; D82-S85 VanDerWaalsContact OD2-OG 3.13Å; D82-Y86 WeakPolarHBondContact O-CB 3.13Å; D82-Y86 PolarHBondContact O-N 2.74Å
83Q96.5Very high96.9Very high72 Ų7259.5 Ų59.534%0.33634%0.342SS..Hα-helixtrans-59.3-31.4-175.8-159-161.450.500112.7K87 L124 F127Q83-K87 HydrophobicContact CG-CD 4.39Å; Q83-K87 VanDerWaalsContact O-CB 3.3Å; Q83-K87 WeakPolarHBondContact O-CB 3.49Å; Q83-K87 WeakPolarHBondContact O-CD 3.13Å; Q83-K87 WeakPolarHBondContact O-CG 3.5Å; Q83-K87 PolarHBondContact O-N 3.21Å; Q83-K87 VanDerWaalsContact O-N 3.08Å; Q83-L124 HydrophobicContact CG-CD2 3.72Å; Q83-L124 PolarHBondContact NE2-O 3.23Å; Q83-F127 HydrophobicContact CB-CD1 4.43Å; Q83-F127 HydrophobicContact CB-CD2 4.38Å; Q83-F127 HydrophobicContact CB-CG 4.33Å; Q83-F127 HydrophobicContact CG-CD2 4.15Å; Q83-F127 HydrophobicContact CG-CG 4.3Å
84K97.3Very high97.1Very high176 Ų17656.7 Ų56.777%0.76532%0.316SS*.Hα-helixtrans-76.7-46.5-178.5-179.6-174.3175.6-174.30111D82 K87 A88D82-K84 PolarHBondContact O-N 2.89Å; D82-K84 VanDerWaalsContact O-N 3.14Å; D82-K84 VanDerWaalsContact OD1-CA 3.3Å; D82-K84 WeakPolarHBondContact OD1-CA 3.34Å; D82-K84 VanDerWaalsContact OD1-CB 3.26Å; D82-K84 WeakPolarHBondContact OD1-CB 3.35Å; D82-K84 PolarHBondContact OD1-N 2.8Å; K84-K87 PolarHBondContact O-N 2.56Å; K84-A88 PolarHBondContact O-N 3.12Å
85S97Very high97.1Very high43 Ų4361.7 Ų61.730%0.30134%0.337SS..Hα-helixtrans-65-40.5177.546.30000111.3D82 A88 H89D82-S85 PolarHBondContact N-OG 3.24Å; D82-S85 VanDerWaalsContact N-OG 3.09Å; D82-S85 PolarHBondContact O-N 2.83Å; D82-S85 PolarHBondContact O-OG 3.18Å; D82-S85 VanDerWaalsContact O-OG 3.09Å; D82-S85 PolarHBondContact OD1-N 2.87Å; D82-S85 PolarHBondContact OD1-OG 3.12Å; D82-S85 VanDerWaalsContact OD1-OG 3.12Å; D82-S85 PolarHBondContact OD2-OG 2.85Å; D82-S85 VanDerWaalsContact OD2-OG 3.13Å; S85-A88 WeakPolarHBondContact O-CB 3.45Å; S85-A88 PolarHBondContact O-N 2.94Å; S85-H89 PolarHBondContact O-N 2.92Å
86Y97.8Very high97.1Very high2 Ų262.4 Ų62.41%0.00833%0.334CS..Hα-helixtrans-65.5-44.2174.7-178.7-110000112.4F81 D82 A88 H89 L90 M120 V123 L124 F127 F132 I144 L146F81-Y86 HydrophobicContact CG-CD2 4.43Å; D82-Y86 WeakPolarHBondContact O-CB 3.13Å; D82-Y86 PolarHBondContact O-N 2.74Å; Y86-A88 PolarHBondContact O-N 3.19Å; Y86-H89 PolarHBondContact O-N 2.82Å; Y86-L90 HydrophobicContact CE1-CD2 4.37Å; Y86-L90 VanDerWaalsContact O-CB 3.31Å; Y86-L90 WeakPolarHBondContact O-CB 3.49Å; Y86-L90 PolarHBondContact O-N 3.48Å; Y86-M120 HydrophobicContact CE1-SD 4.43Å; Y86-V123 HydrophobicContact CE1-CG1 4.46Å; Y86-L124 HydrophobicContact CD1-CD2 3.94Å; Y86-L124 HydrophobicContact CE1-CD2 4.4Å; Y86-F127 AromaticContact CD1-CE2 3.86Å; Y86-F127 HydrophobicContact CD1-CE2 3.86Å; Y86-F127 AromaticContact CG-CE2 3.95Å; Y86-F127 HydrophobicContact CG-CE2 3.95Å; Y86-F132 HydrophobicContact CD1-CE1 4.05Å; Y86-F132 AromaticContact CD2-CD1 3.76Å; Y86-F132 HydrophobicContact CD2-CD1 3.76Å; Y86-F132 AromaticContact CD2-CE1 3.62Å; Y86-F132 HydrophobicContact CD2-CE1 3.62Å; Y86-F132 HydrophobicContact CE1-CE1 4.14Å; Y86-F132 AromaticContact CE2-CD1 3.83Å; Y86-F132 HydrophobicContact CE2-CD1 3.83Å; Y86-F132 AromaticContact CE2-CE1 3.73Å; Y86-F132 HydrophobicContact CE2-CE1 3.73Å; Y86-F132 HydrophobicContact CG-CD1 4.36Å; Y86-F132 AromaticContact CG-CE1 3.81Å; Y86-F132 HydrophobicContact CG-CE1 3.81Å; Y86-I144 HydrophobicContact CD2-CG2 4.48Å; Y86-I144 HydrophobicContact CE2-CB 4.31Å; Y86-I144 HydrophobicContact CE2-CG2 4.07Å; Y86-L146 HydrophobicContact CE2-CD2 3.95Å; Y86-L146 WeakPolarHBondContact OH-CD2 3.31Å
87K96.9Very high97.1Very high76 Ų7661.8 Ų61.833%0.3333%0.331SS..Hα-helixtrans-57.1-38.3173.4-81.2169177165.50112.1Q83 K84 N91 L124Q83-K87 HydrophobicContact CG-CD 4.39Å; Q83-K87 VanDerWaalsContact O-CB 3.3Å; Q83-K87 WeakPolarHBondContact O-CB 3.49Å; Q83-K87 WeakPolarHBondContact O-CD 3.13Å; Q83-K87 WeakPolarHBondContact O-CG 3.5Å; Q83-K87 PolarHBondContact O-N 3.21Å; Q83-K87 VanDerWaalsContact O-N 3.08Å; K84-K87 PolarHBondContact O-N 2.56Å; K87-N91 WeakPolarHBondContact O-CB 3.2Å; K87-N91 VanDerWaalsContact O-CG 3.3Å; K87-N91 PolarHBondContact O-N 2.85Å; K87-N91 VanDerWaalsContact O-N 3.12Å; K87-N91 PolarHBondContact O-ND2 3.03Å; K87-L124 HydrophobicContact CD-CD1 4.38Å; K87-L124 HydrophobicContact CD-CD2 4.33Å; K87-L124 VanDerWaalsContact CE-CD1 3.5Å; K87-L124 HydrophobicContact CG-CD1 3.99Å; K87-L124 HydrophobicContact CG-CD2 3.75Å
88A97.7Very high97.1Very high54 Ų5461 Ų6145%0.44633%0.327SS..Hα-helixtrans-66.5-47.5177.400000111.3K84 S85 Y86 N91 L92K84-A88 PolarHBondContact O-N 3.12Å; S85-A88 WeakPolarHBondContact O-CB 3.45Å; S85-A88 PolarHBondContact O-N 2.94Å; Y86-A88 PolarHBondContact O-N 3.19Å; A88-N91 PolarHBondContact O-N 3.16Å; A88-L92 WeakPolarHBondContact O-CG 3.42Å; A88-L92 PolarHBondContact O-N 3.21Å
89H97.9Very high97Very high26 Ų2662.6 Ų62.612%0.1233%0.327CS..Hα-helixtrans-57.4-52.7174.3175.7-79.5000111.5F81 S85 Y86 N91 L92 Y93 P140 A142 I144F81-H89 HydrophobicContact CE1-CB 4.3Å; S85-H89 PolarHBondContact O-N 2.92Å; Y86-H89 PolarHBondContact O-N 2.82Å; H89-N91 VanDerWaalsContact C-N 3.27Å; H89-N91 PolarHBondContact O-N 3.44Å; H89-L92 WeakPolarHBondContact O-CA 3.46Å; H89-L92 WeakPolarHBondContact O-CB 3.49Å; H89-L92 PolarHBondContact O-N 3.28Å; H89-Y93 PolarHBondContact O-N 2.93Å; H89-P140 PolarHBondContact CD2-O 3.03Å; H89-P140 PolarHBondContact NE2-O 3Å; H89-A142 PolarHBondContact CE1-O 3.45Å; H89-A142 PolarHBondContact NE2-O 2.89Å; H89-A142 VanDerWaalsContact NE2-O 3.12Å; H89-I144 VanDerWaalsContact CE1-CG1 3.42Å; H89-I144 WeakPolarHBondContact CE1-CG1 3.23Å
90L97.4Very high96.9Very high12 Ų1264.6 Ų64.66%0.06333%0.331CS..Hα-helixtrans-54-43.3179.817563.4000112Y86 L92 Y93 L94 M120 F161Y86-L90 HydrophobicContact CE1-CD2 4.37Å; Y86-L90 VanDerWaalsContact O-CB 3.31Å; Y86-L90 WeakPolarHBondContact O-CB 3.49Å; Y86-L90 PolarHBondContact O-N 3.48Å; L90-L92 VanDerWaalsContact C-N 3.32Å; L90-L92 PolarHBondContact O-N 3.33Å; L90-Y93 PolarHBondContact O-N 2.61Å; L90-L94 HydrophobicContact CD1-CD1 3.96Å; L90-L94 HydrophobicContact CD1-CD2 4.49Å; L90-L94 HydrophobicContact CD1-CG 3.95Å; L90-L94 HydrophobicContact CG-CD1 3.97Å; L90-L94 HydrophobicContact CG-CG 4.38Å; L90-L94 WeakPolarHBondContact O-CB 3.18Å; L90-L94 WeakPolarHBondContact O-CG 3.33Å; L90-L94 PolarHBondContact O-N 3.05Å; L90-M120 HydrophobicContact CD1-CG 4.24Å; L90-M120 HydrophobicContact CD1-SD 3.92Å; L90-M120 HydrophobicContact CD2-CB 3.94Å; L90-M120 HydrophobicContact CD2-CG 3.72Å; L90-M120 HydrophobicContact CD2-SD 3.81Å; L90-F161 HydrophobicContact CD1-CE2 4.03Å; L90-F161 HydrophobicContact CD1-CZ 3.53Å
91N96.3Very high96.9Very high99 Ų9958.7 Ų58.753%0.52929%0.293SS..Hα-helixtrans-66.2-32.5178.1-77.9-47.5000113.3K87 A88 H89 K95K87-N91 WeakPolarHBondContact O-CB 3.2Å; K87-N91 VanDerWaalsContact O-CG 3.3Å; K87-N91 PolarHBondContact O-N 2.85Å; K87-N91 VanDerWaalsContact O-N 3.12Å; K87-N91 PolarHBondContact O-ND2 3.03Å; A88-N91 PolarHBondContact O-N 3.16Å; H89-N91 VanDerWaalsContact C-N 3.27Å; H89-N91 PolarHBondContact O-N 3.44Å; N91-K95 WeakPolarHBondContact O-CG 3.44Å
92L97.4Very high96.9Very high102 Ų10261.9 Ų61.953%0.53431%0.308SS..Hα-helixtrans-73.1-48.5174-66.6172.1000110.2A88 H89 L90 L94 K95 T96A88-L92 WeakPolarHBondContact O-CG 3.42Å; A88-L92 PolarHBondContact O-N 3.21Å; H89-L92 WeakPolarHBondContact O-CA 3.46Å; H89-L92 WeakPolarHBondContact O-CB 3.49Å; H89-L92 PolarHBondContact O-N 3.28Å; L90-L92 VanDerWaalsContact C-N 3.32Å; L90-L92 PolarHBondContact O-N 3.33Å; L92-L94 VanDerWaalsContact C-N 3.3Å; L92-L94 PolarHBondContact O-N 2.83Å; L92-K95 WeakPolarHBondContact O-CB 3.36Å; L92-K95 PolarHBondContact O-N 3.23Å; L92-T96 PolarHBondContact O-N 3.12Å
93Y97.8Very high96.8Very high5 Ų565.9 Ų65.92%0.0232%0.321CS..Hα-helixtrans-60.7-38.6179.9-168.4-105.3000112.5M7 I8 H89 L90 K95 T96 I97 M143 F161 G164M7-Y93 HydrophobicContact CE-CE2 4.38Å; I8-Y93 HydrophobicContact CD1-CD2 4.49Å; I8-Y93 HydrophobicContact CD1-CE2 3.96Å; H89-Y93 PolarHBondContact O-N 2.93Å; L90-Y93 PolarHBondContact O-N 2.61Å; Y93-K95 PolarHBondContact O-N 3.38Å; Y93-T96 WeakPolarHBondContact O-CB 3.37Å; Y93-T96 PolarHBondContact O-N 3.21Å; Y93-I97 HydrophobicContact CD1-CD1 4.47Å; Y93-I97 HydrophobicContact CD1-CG1 3.94Å; Y93-I97 HydrophobicContact CE1-CD1 3.7Å; Y93-I97 HydrophobicContact CE1-CG1 3.66Å; Y93-I97 WeakPolarHBondContact O-CG1 3.21Å; Y93-I97 PolarHBondContact O-N 2.78Å; Y93-M143 HydrophobicContact CE1-CB 4.44Å; Y93-M143 HydrophobicContact CE1-CG 4.19Å; Y93-M143 HydrophobicContact CE2-CB 4.12Å; Y93-M143 WeakPolarHBondContact OH-CB 3.4Å; Y93-M143 VanDerWaalsContact OH-CE 3.24Å; Y93-M143 WeakPolarHBondContact OH-CE 3.36Å; Y93-F161 AromaticContact CD1-CD2 3.98Å; Y93-F161 HydrophobicContact CD1-CD2 3.98Å; Y93-F161 HydrophobicContact CD1-CE2 4.2Å; Y93-F161 HydrophobicContact CD1-CG 4.41Å; Y93-F161 HydrophobicContact CE1-CB 4.01Å; Y93-F161 AromaticContact CE1-CD2 3.66Å; Y93-F161 HydrophobicContact CE1-CD2 3.66Å; Y93-F161 HydrophobicContact CE1-CE2 4.34Å; Y93-F161 AromaticContact CE1-CG 3.89Å; Y93-F161 HydrophobicContact CE1-CG 3.89Å; Y93-G164 WeakPolarHBondContact OH-CA 3.5Å
94L96.9Very high96.7Very high21 Ų2166.9 Ų66.911%0.1133%0.332CS..Hα-helixtrans-62.8-28.6175.9-75.6172.5000113.5L90 L92 I97 I98 V116 F161L90-L94 HydrophobicContact CD1-CD1 3.96Å; L90-L94 HydrophobicContact CD1-CD2 4.49Å; L90-L94 HydrophobicContact CD1-CG 3.95Å; L90-L94 HydrophobicContact CG-CD1 3.97Å; L90-L94 HydrophobicContact CG-CG 4.38Å; L90-L94 WeakPolarHBondContact O-CB 3.18Å; L90-L94 WeakPolarHBondContact O-CG 3.33Å; L90-L94 PolarHBondContact O-N 3.05Å; L92-L94 VanDerWaalsContact C-N 3.3Å; L92-L94 PolarHBondContact O-N 2.83Å; L94-I97 PolarHBondContact O-N 2.87Å; L94-I98 WeakPolarHBondContact O-CB 3.4Å; L94-I98 WeakPolarHBondContact O-CD1 3.44Å; L94-I98 WeakPolarHBondContact O-CG1 3.45Å; L94-I98 PolarHBondContact O-N 2.69Å; L94-V116 HydrophobicContact CD1-CG1 3.92Å; L94-V116 HydrophobicContact CD2-CB 4.39Å; L94-V116 HydrophobicContact CD2-CG1 3.73Å; L94-V116 HydrophobicContact CD2-CG2 4.2Å; L94-V116 HydrophobicContact CG-CG1 4.42Å; L94-F161 HydrophobicContact CD2-CE1 3.88Å; L94-F161 HydrophobicContact CD2-CZ 4.32Å
95K97Very high96.5Very high124 Ų12461 Ų6154%0.53931%0.31SS..Hα-helixtrans-65.3-44.6172.6-64.7171.8-177178.40110.2N91 L92 Y93 I97 I98 E99N91-K95 WeakPolarHBondContact O-CG 3.44Å; L92-K95 WeakPolarHBondContact O-CB 3.36Å; L92-K95 PolarHBondContact O-N 3.23Å; Y93-K95 PolarHBondContact O-N 3.38Å; K95-I97 VanDerWaalsContact C-N 3.32Å; K95-I97 PolarHBondContact O-N 3.42Å; K95-I98 PolarHBondContact O-N 3.1Å; K95-E99 WeakPolarHBondContact O-CG 3.48Å; K95-E99 PolarHBondContact O-N 2.84Å
96T97Very high96.4Very high50 Ų5062.4 Ų62.431%0.30732%0.317SS..Hα-helixtrans-60-42.6176.3-43.80000111.7M7 I8 L92 Y93 E99 R100M7-T96 HydrophobicContact CE-CG2 3.65Å; I8-T96 HydrophobicContact CD1-CG2 4.11Å; L92-T96 PolarHBondContact O-N 3.12Å; Y93-T96 WeakPolarHBondContact O-CB 3.37Å; Y93-T96 PolarHBondContact O-N 3.21Å; T96-E99 PolarHBondContact O-N 3.39Å; T96-R100 PolarHBondContact O-N 2.89Å; T96-R100 VanDerWaalsContact O-N 3.09Å
97I97.4Very high96.1Very high1 Ų168.9 Ų68.91%0.00535%0.352CS..Hα-helixtrans-63.6-43.6175.2-62.7-68.1000111.6M7 Y93 L94 K95 R100 L101 L112 F161 D163M7-I97 HydrophobicContact CE-CD1 3.65Å; M7-I97 HydrophobicContact CE-CG1 4.46Å; M7-I97 HydrophobicContact SD-CD1 4.46Å; Y93-I97 HydrophobicContact CD1-CD1 4.47Å; Y93-I97 HydrophobicContact CD1-CG1 3.94Å; Y93-I97 HydrophobicContact CE1-CD1 3.7Å; Y93-I97 HydrophobicContact CE1-CG1 3.66Å; Y93-I97 WeakPolarHBondContact O-CG1 3.21Å; Y93-I97 PolarHBondContact O-N 2.78Å; L94-I97 PolarHBondContact O-N 2.87Å; K95-I97 VanDerWaalsContact C-N 3.32Å; K95-I97 PolarHBondContact O-N 3.42Å; I97-R100 PolarHBondContact O-N 3.44Å; I97-L101 HydrophobicContact CG2-CD1 4.01Å; I97-L101 WeakPolarHBondContact O-CB 3.17Å; I97-L101 PolarHBondContact O-N 2.63Å; I97-L112 HydrophobicContact CG2-CD1 4.04Å; I97-L112 HydrophobicContact CG2-CD2 3.98Å; I97-F161 HydrophobicContact CD1-CB 4.3Å; I97-D163 HydrophobicContact CG2-CB 4.21Å
98I96.8Very high95.9Very high52 Ų5267.2 Ų67.227%0.26735%0.345SS..Hα-helixtrans-62.1-45.4177.4-71.8163.9000110.8L94 K95 R100 L101 Q102 V109 L112L94-I98 WeakPolarHBondContact O-CB 3.4Å; L94-I98 WeakPolarHBondContact O-CD1 3.44Å; L94-I98 WeakPolarHBondContact O-CG1 3.45Å; L94-I98 PolarHBondContact O-N 2.69Å; K95-I98 PolarHBondContact O-N 3.1Å; I98-R100 VanDerWaalsContact C-N 3.26Å; I98-R100 PolarHBondContact O-N 3.42Å; I98-L101 PolarHBondContact O-N 2.94Å; I98-Q102 HydrophobicContact CG2-CG 4.3Å; I98-Q102 WeakPolarHBondContact O-CB 3.46Å; I98-Q102 VanDerWaalsContact O-CG 3.27Å; I98-Q102 WeakPolarHBondContact O-CG 3.49Å; I98-Q102 PolarHBondContact O-N 3.11Å; I98-V109 HydrophobicContact CG2-CG1 4.06Å; I98-L112 HydrophobicContact CD1-CD2 4.3Å; I98-L112 HydrophobicContact CG1-CD2 3.44Å; I98-L112 VanDerWaalsContact CG1-CD2 3.44Å
99E96.2Very high95.7Very high106 Ų10666.1 Ų66.150%0.49533%0.333SS..Hα-helixtrans-60.8-36.6178.2-74.5176.1-16500112.3K95 T96 K103K95-E99 WeakPolarHBondContact O-CG 3.48Å; K95-E99 PolarHBondContact O-N 2.84Å; T96-E99 PolarHBondContact O-N 3.39Å; E99-K103 WeakPolarHBondContact O-CG 3.34Å
100R94.8Very high95.4Very high71 Ų7169.6 Ų69.627%0.26836%0.357SS..Hα-helixtrans-68.3-50.7173.4178.3168.2172.2128-10.3111.5M7 T96 I97 I98 Q102 K103 T104 D163 L165 T166M7-R100 WeakPolarHBondContact SD-CD 3.14Å; T96-R100 PolarHBondContact O-N 2.89Å; T96-R100 VanDerWaalsContact O-N 3.09Å; I97-R100 PolarHBondContact O-N 3.44Å; I98-R100 VanDerWaalsContact C-N 3.26Å; I98-R100 PolarHBondContact O-N 3.42Å; R100-Q102 VanDerWaalsContact C-N 3.27Å; R100-Q102 PolarHBondContact O-N 3.3Å; R100-K103 WeakPolarHBondContact O-CA 3.48Å; R100-K103 WeakPolarHBondContact O-CB 3.2Å; R100-K103 PolarHBondContact O-N 2.89Å; R100-T104 HydrophobicContact CG-CG2 4.38Å; R100-T104 PolarHBondContact O-N 2.89Å; R100-T104 PolarHBondContact O-OG1 3.3Å; R100-D163 WeakPolarHBondContact CD-O 3.47Å; R100-D163 PolarHBondContact NE-O 3.14Å; R100-L165 PolarHBondContact NH2-O 2.71Å; R100-T166 VanDerWaalsContact NH2-CG2 3.33Å
101L95.2Very high95.2Very high0 Ų073.8 Ų73.80%038%0.379CS..Hα-helixtrans-60.3-36.5179.5-81.1172.8000112.3F26 I97 I98 K103 T104 D105 P106 K108 V109 L112 D163F26-L101 HydrophobicContact CE1-CD1 4.29Å; I97-L101 HydrophobicContact CG2-CD1 4.01Å; I97-L101 WeakPolarHBondContact O-CB 3.17Å; I97-L101 PolarHBondContact O-N 2.63Å; I98-L101 PolarHBondContact O-N 2.94Å; L101-K103 PolarHBondContact O-N 2.83Å; L101-K103 VanDerWaalsContact O-N 3.14Å; L101-T104 PolarHBondContact O-N 3.15Å; L101-D105 HydrophobicContact CD2-CB 4.23Å; L101-D105 CarbonylContact O-C 3.53Å; L101-D105 WeakPolarHBondContact O-CA 3.22Å; L101-D105 PolarHBondContact O-N 3.42Å; L101-P106 WeakPolarHBondContact O-CA 3.41Å; L101-P106 VanDerWaalsContact O-N 3.08Å; L101-K108 HydrophobicContact CD2-CB 4.32Å; L101-V109 HydrophobicContact CB-CG2 3.74Å; L101-L112 HydrophobicContact CD1-CB 4.33Å; L101-L112 HydrophobicContact CD1-CD1 3.94Å; L101-L112 HydrophobicContact CD1-CD2 3.92Å; L101-L112 HydrophobicContact CD1-CG 4.28Å; L101-D163 HydrophobicContact CD1-CB 4.5Å; L101-D163 HydrophobicContact CD2-CB 4.21Å; L101-D163 HydrophobicContact CG-CB 4.24Å
102Q95.8Very high95.1Very high117 Ų11769.2 Ų69.255%0.54736%0.355SS..Hα-helixtrans-57.8-28.3173.4-77.2174.4-14.600113.3I98 R100 V109I98-Q102 HydrophobicContact CG2-CG 4.3Å; I98-Q102 WeakPolarHBondContact O-CB 3.46Å; I98-Q102 VanDerWaalsContact O-CG 3.27Å; I98-Q102 WeakPolarHBondContact O-CG 3.49Å; I98-Q102 PolarHBondContact O-N 3.11Å; R100-Q102 VanDerWaalsContact C-N 3.27Å; R100-Q102 PolarHBondContact O-N 3.3Å; Q102-V109 HydrophobicContact CG-CG2 4.07Å
103K95.1Very high94.7Very high174 Ų17471.6 Ų71.676%0.75736%0.361SS*.Hα-helixtrans-89.8-32.5178.6-63.3170.3-173.8170.80112.8E99 R100 L101E99-K103 WeakPolarHBondContact O-CG 3.34Å; R100-K103 WeakPolarHBondContact O-CA 3.48Å; R100-K103 WeakPolarHBondContact O-CB 3.2Å; R100-K103 PolarHBondContact O-N 2.89Å; L101-K103 PolarHBondContact O-N 2.83Å; L101-K103 VanDerWaalsContact O-N 3.14Å
104T94.3Very high94.4Very high93 Ų9374.2 Ų74.257%0.57138%0.38SS*.Hα-helixtrans-103.7-39.5-171.258.40000113.8R100 L101R100-T104 HydrophobicContact CG-CG2 4.38Å; R100-T104 PolarHBondContact O-N 2.89Å; R100-T104 PolarHBondContact O-OG1 3.3Å; L101-T104 PolarHBondContact O-N 3.15Å
105D93.7Very high94.3Very high54 Ų5476.5 Ų76.529%0.28939%0.39SS..  trans-157.374.8-175.9-166.7-13.4000110.7L101 D107 K108L101-D105 HydrophobicContact CD2-CB 4.23Å; L101-D105 CarbonylContact O-C 3.53Å; L101-D105 WeakPolarHBondContact O-CA 3.22Å; L101-D105 PolarHBondContact O-N 3.42Å; D105-D107 PolarHBondContact O-N 2.88Å; D105-K108 HydrophobicContact CB-CD 4.41Å; D105-K108 HydrophobicContact CB-CG 4.49Å; D105-K108 PolarHBondContact O-N 2.78Å; D105-K108 WeakPolarHBondContact OD2-CD 3.47Å; D105-K108 WeakPolarHBondContact OD2-CE 3.37Å; D105-K108 WeakPolarHBondContact OD2-CG 3.44Å; D105-K108 IonicContact OD2-NZ 3.14Å
106P94.1Very high94.3Very high71 Ų7170.6 Ų70.646%0.46137%0.365SS..G310 helixtrans-64.5-23.9-173.324.4-34000113.1L101 K108 V109L101-P106 WeakPolarHBondContact O-CA 3.41Å; L101-P106 VanDerWaalsContact O-N 3.08Å; P106-K108 PolarHBondContact O-N 2.83Å; P106-V109 WeakPolarHBondContact O-CB 3.26Å; P106-V109 WeakPolarHBondContact O-CG2 3.31Å; P106-V109 PolarHBondContact O-N 3.44Å; P106-V109 VanDerWaalsContact O-N 3.17Å
107D93.5Very high94.1Very high138 Ų13872.3 Ų72.374%0.73837%0.372SS*.G310 helixtrans-67.3-21.2-179.7-67.6-22.4000112.3D105 P110D105-D107 PolarHBondContact O-N 2.88Å; D107-P110 WeakPolarHBondContact O-CD 3.23Å
108K92.7Very high94Very high41 Ų4179.9 Ų79.918%0.17841%0.405CS..G310 helixtrans-82.1-19.8175.4-71-170.3177.5-162.90114.3D25 F26 L101 D105 P106 L111 L112D25-K108 IonicContact OD1-NZ 2.69Å; D25-K108 PolarHBondContact OD1-NZ 3.43Å; D25-K108 WeakPolarHBondContact OD2-CE 3.3Å; D25-K108 IonicContact OD2-NZ 3.18Å; D25-K108 PolarHBondContact OD2-NZ 3.09Å; F26-K108 HydrophobicContact CE1-CB 4.11Å; F26-K108 HydrophobicContact CE1-CD 4.42Å; F26-K108 HydrophobicContact CZ-CB 4.22Å; L101-K108 HydrophobicContact CD2-CB 4.32Å; D105-K108 HydrophobicContact CB-CD 4.41Å; D105-K108 HydrophobicContact CB-CG 4.49Å; D105-K108 PolarHBondContact O-N 2.78Å; D105-K108 WeakPolarHBondContact OD2-CD 3.47Å; D105-K108 WeakPolarHBondContact OD2-CE 3.37Å; D105-K108 WeakPolarHBondContact OD2-CG 3.44Å; D105-K108 IonicContact OD2-NZ 3.14Å; P106-K108 PolarHBondContact O-N 2.83Å; K108-L111 PolarHBondContact O-N 2.85Å; K108-L112 PolarHBondContact O-N 3.23Å
109V93.2Very high93.9Very high31 Ų3179 Ų7919%0.18840%0.399CS..Hα-helixtrans-56.2-42.7-176.3176.60000112.8I98 L101 Q102 P106 L111 L112I98-V109 HydrophobicContact CG2-CG1 4.06Å; L101-V109 HydrophobicContact CB-CG2 3.74Å; Q102-V109 HydrophobicContact CG-CG2 4.07Å; P106-V109 WeakPolarHBondContact O-CB 3.26Å; P106-V109 WeakPolarHBondContact O-CG2 3.31Å; P106-V109 PolarHBondContact O-N 3.44Å; P106-V109 VanDerWaalsContact O-N 3.17Å; V109-L111 VanDerWaalsContact C-N 3.31Å; V109-L111 PolarHBondContact O-N 3.3Å; V109-L112 PolarHBondContact O-N 3.08Å
110P91.3Very high93.9Very high99 Ų9974.1 Ų74.164%0.64338%0.376SS*.Hα-helixtrans-62.9-34.8175.9-23.135000113.7D107D107-P110 WeakPolarHBondContact O-CD 3.23Å
111L92.9Very high94Very high100 Ų10076.4 Ų76.452%0.52439%0.388SS..Hα-helixtrans-79.7-31.2179.9-65.5177.1000112.4F26 K108 V109 K113 S114 Q115F26-L111 HydrophobicContact CE2-CB 4.15Å; F26-L111 HydrophobicContact CZ-CB 4.01Å; K108-L111 PolarHBondContact O-N 2.85Å; V109-L111 VanDerWaalsContact C-N 3.31Å; V109-L111 PolarHBondContact O-N 3.3Å; L111-K113 VanDerWaalsContact C-N 3.32Å; L111-K113 PolarHBondContact O-N 2.87Å; L111-S114 PolarHBondContact O-N 3.23Å; L111-S114 PolarHBondContact O-OG 3Å; L111-Q115 WeakPolarHBondContact O-CB 3.47Å; L111-Q115 VanDerWaalsContact O-CG 3.32Å; L111-Q115 WeakPolarHBondContact O-CG 3.43Å; L111-Q115 PolarHBondContact O-N 3.47Å
112L94.3Very high94Very high3 Ų380.4 Ų80.42%0.01641%0.409CS..Hα-helixtrans-52.2-52.3179.7178.478000110.8F26 I97 I98 L101 K108 V109 S114 Q115 V116F26-L112 HydrophobicContact CB-CD1 4.34Å; F26-L112 HydrophobicContact CD1-CB 4.38Å; F26-L112 HydrophobicContact CD1-CD1 3.28Å; F26-L112 HydrophobicContact CD1-CG 4.42Å; F26-L112 HydrophobicContact CE1-CB 3.85Å; F26-L112 HydrophobicContact CE1-CD1 3.6Å; F26-L112 HydrophobicContact CE1-CG 4.35Å; F26-L112 HydrophobicContact CG-CD1 3.82Å; F26-L112 VanDerWaalsContact CZ-CA 3.46Å; F26-L112 HydrophobicContact CZ-CB 3.98Å; F26-L112 HydrophobicContact CZ-CD1 4.39Å; I97-L112 HydrophobicContact CG2-CD1 4.04Å; I97-L112 HydrophobicContact CG2-CD2 3.98Å; I98-L112 HydrophobicContact CD1-CD2 4.3Å; I98-L112 HydrophobicContact CG1-CD2 3.44Å; I98-L112 VanDerWaalsContact CG1-CD2 3.44Å; L101-L112 HydrophobicContact CD1-CB 4.33Å; L101-L112 HydrophobicContact CD1-CD1 3.94Å; L101-L112 HydrophobicContact CD1-CD2 3.92Å; L101-L112 HydrophobicContact CD1-CG 4.28Å; K108-L112 PolarHBondContact O-N 3.23Å; V109-L112 PolarHBondContact O-N 3.08Å; L112-S114 PolarHBondContact O-N 3.49Å; L112-Q115 PolarHBondContact O-N 3.11Å; L112-V116 HydrophobicContact CD1-CG2 3.61Å; L112-V116 HydrophobicContact CG-CG2 4Å; L112-V116 VanDerWaalsContact O-CB 3.23Å; L112-V116 WeakPolarHBondContact O-CB 3.17Å; L112-V116 VanDerWaalsContact O-CG2 3.24Å; L112-V116 WeakPolarHBondContact O-CG2 3.28Å; L112-V116 PolarHBondContact O-N 3.49Å
113K88.6Confident94Very high152 Ų15274.9 Ų74.966%0.66138%0.383SS*.Hα-helixtrans-61.7-42.7-173.3-171.8173.9-177.81780112L111 N117L111-K113 VanDerWaalsContact C-N 3.32Å; L111-K113 PolarHBondContact O-N 2.87Å; K113-N117 WeakPolarHBondContact O-CB 3.32Å; K113-N117 PolarHBondContact O-N 3.02Å; K113-N117 VanDerWaalsContact O-N 3.11Å; K113-N117 PolarHBondContact O-ND2 3.02Å
114S92.1Very high94.1Very high61 Ų6167.8 Ų67.843%0.42735%0.353SS..Hα-helixtrans-70.3-44.9-179.758.90000111.7L111 L112 N117 K118L111-S114 PolarHBondContact O-N 3.23Å; L111-S114 PolarHBondContact O-OG 3Å; L112-S114 PolarHBondContact O-N 3.49Å; S114-N117 PolarHBondContact O-N 3.34Å; S114-K118 WeakPolarHBondContact O-CB 3.48Å; S114-K118 PolarHBondContact O-N 2.84Å
115Q94.5Very high94.2Very high68 Ų6868 Ų6832%0.31835%0.351SS..Hα-helixtrans-71.1-43.7-176.4-66-66.296.200112.3F26 L111 L112 K118 Y119F26-Q115 HydrophobicContact CD2-CB 3.54Å; F26-Q115 HydrophobicContact CD2-CG 4.11Å; F26-Q115 HydrophobicContact CE2-CB 3.74Å; F26-Q115 HydrophobicContact CE2-CG 3.87Å; L111-Q115 WeakPolarHBondContact O-CB 3.47Å; L111-Q115 VanDerWaalsContact O-CG 3.32Å; L111-Q115 WeakPolarHBondContact O-CG 3.43Å; L111-Q115 PolarHBondContact O-N 3.47Å; L112-Q115 PolarHBondContact O-N 3.11Å; Q115-K118 PolarHBondContact O-N 3.29Å; Q115-Y119 PolarHBondContact O-N 3Å
116V96.1Very high94.3Very high0 Ų067.8 Ų67.80%035%0.35CS..Hα-helixtrans-63.1-45.9173.9172.40000110.5F26 F27 L94 L112 K118 Y119 M120 F161F26-V116 HydrophobicContact CB-CG2 4.39Å; F27-V116 HydrophobicContact CE2-CG2 4.36Å; F27-V116 HydrophobicContact CZ-CB 4.28Å; F27-V116 HydrophobicContact CZ-CG1 4.26Å; F27-V116 HydrophobicContact CZ-CG2 3.91Å; L94-V116 HydrophobicContact CD1-CG1 3.92Å; L94-V116 HydrophobicContact CD2-CB 4.39Å; L94-V116 HydrophobicContact CD2-CG1 3.73Å; L94-V116 HydrophobicContact CD2-CG2 4.2Å; L94-V116 HydrophobicContact CG-CG1 4.42Å; L112-V116 HydrophobicContact CD1-CG2 3.61Å; L112-V116 HydrophobicContact CG-CG2 4Å; L112-V116 VanDerWaalsContact O-CB 3.23Å; L112-V116 WeakPolarHBondContact O-CB 3.17Å; L112-V116 VanDerWaalsContact O-CG2 3.24Å; L112-V116 WeakPolarHBondContact O-CG2 3.28Å; L112-V116 PolarHBondContact O-N 3.49Å; V116-K118 VanDerWaalsContact C-N 3.27Å; V116-K118 PolarHBondContact O-N 3.25Å; V116-Y119 PolarHBondContact O-N 3.32Å; V116-M120 HydrophobicContact CG1-CG 3.63Å; V116-M120 VanDerWaalsContact O-CB 3.22Å; V116-M120 WeakPolarHBondContact O-CB 3.45Å; V116-M120 VanDerWaalsContact O-CG 3.24Å; V116-M120 WeakPolarHBondContact O-CG 3.28Å; V116-M120 PolarHBondContact O-N 2.86Å; V116-F161 HydrophobicContact CG1-CE1 4.04Å; V116-F161 HydrophobicContact CG1-CZ 4.35Å; V116-F161 HydrophobicContact CG2-CE1 4.04Å
117N93.1Very high94.5Very high87 Ų8765.8 Ų65.847%0.46533%0.334SS..Hα-helixtrans-59.7-39.9178.3-77.9-21000112K113 S114 K121K113-N117 WeakPolarHBondContact O-CB 3.32Å; K113-N117 PolarHBondContact O-N 3.02Å; K113-N117 VanDerWaalsContact O-N 3.11Å; K113-N117 PolarHBondContact O-ND2 3.02Å; S114-N117 PolarHBondContact O-N 3.34Å; N117-K121 WeakPolarHBondContact O-CB 3.2Å; N117-K121 PolarHBondContact O-N 3.06Å
118K95.4Very high94.6Very high160 Ų16066 Ų6670%0.69634%0.335SS*.Hα-helixtrans-64-47.7177.3-176.8178.6177.4-1780111.6S114 Q115 V116S114-K118 WeakPolarHBondContact O-CB 3.48Å; S114-K118 PolarHBondContact O-N 2.84Å; Q115-K118 PolarHBondContact O-N 3.29Å; V116-K118 VanDerWaalsContact C-N 3.27Å; V116-K118 PolarHBondContact O-N 3.25Å
119Y96.2Very high94.8Very high34 Ų3468.9 Ų68.913%0.13335%0.349CS..Hα-helixtrans-68.7-49.7-179-167.6-76.9000111.3V23 F27 E29 Q115 V116 K121 N122 V123 V159V23-Y119 HydrophobicContact CG1-CD2 4.15Å; V23-Y119 HydrophobicContact CG1-CE2 3.74Å; F27-Y119 HydrophobicContact CD2-CD1 4.24Å; F27-Y119 AromaticContact CD2-CD2 3.93Å; F27-Y119 HydrophobicContact CD2-CD2 3.93Å; F27-Y119 HydrophobicContact CD2-CE2 4.39Å; F27-Y119 AromaticContact CD2-CG 3.85Å; F27-Y119 HydrophobicContact CD2-CG 3.85Å; F27-Y119 HydrophobicContact CE1-CD1 4.33Å; F27-Y119 VanDerWaalsContact CE2-CB 3.46Å; F27-Y119 AromaticContact CE2-CD1 3.95Å; F27-Y119 HydrophobicContact CE2-CD1 3.95Å; F27-Y119 HydrophobicContact CE2-CD2 4.07Å; F27-Y119 AromaticContact CE2-CG 3.55Å; F27-Y119 HydrophobicContact CE2-CG 3.55Å; F27-Y119 AromaticContact CZ-CD1 3.99Å; F27-Y119 HydrophobicContact CZ-CD1 3.99Å; F27-Y119 HydrophobicContact CZ-CG 4.03Å; E29-Y119 PolarHBondContact OE1-OH 3.03Å; Q115-Y119 PolarHBondContact O-N 3Å; V116-Y119 PolarHBondContact O-N 3.32Å; Y119-K121 VanDerWaalsContact C-N 3.25Å; Y119-K121 PolarHBondContact O-N 3.48Å; Y119-N122 WeakPolarHBondContact O-CB 3.47Å; Y119-N122 PolarHBondContact O-N 3.03Å; Y119-V123 HydrophobicContact CD1-CG2 4.14Å; Y119-V123 HydrophobicContact CE1-CG2 4Å; Y119-V123 PolarHBondContact O-N 3Å; Y119-V159 HydrophobicContact CE1-CG1 3.84Å; Y119-V159 HydrophobicContact CE1-CG2 4.45Å; Y119-V159 VanDerWaalsContact OH-CG2 3.31Å; Y119-V159 WeakPolarHBondContact OH-CG2 3.45Å
120M95.9Very high95Very high3 Ų368 Ų682%0.01534%0.343CS..Hα-helixtrans-65.2-27.6179.4-65.6-72.6108.900112.3F27 Y86 L90 V116 N122 V123 L124 L146 F161F27-M120 HydrophobicContact CE1-CE 3.66Å; F27-M120 HydrophobicContact CZ-CE 3.89Å; Y86-M120 HydrophobicContact CE1-SD 4.43Å; L90-M120 HydrophobicContact CD1-CG 4.24Å; L90-M120 HydrophobicContact CD1-SD 3.92Å; L90-M120 HydrophobicContact CD2-CB 3.94Å; L90-M120 HydrophobicContact CD2-CG 3.72Å; L90-M120 HydrophobicContact CD2-SD 3.81Å; V116-M120 HydrophobicContact CG1-CG 3.63Å; V116-M120 VanDerWaalsContact O-CB 3.22Å; V116-M120 WeakPolarHBondContact O-CB 3.45Å; V116-M120 VanDerWaalsContact O-CG 3.24Å; V116-M120 WeakPolarHBondContact O-CG 3.28Å; V116-M120 PolarHBondContact O-N 2.86Å; M120-N122 VanDerWaalsContact C-N 3.3Å; M120-N122 PolarHBondContact O-N 3.33Å; M120-V123 HydrophobicContact CE-CG2 3.98Å; M120-V123 PolarHBondContact O-N 3.31Å; M120-L124 WeakPolarHBondContact O-CB 3.47Å; M120-L124 WeakPolarHBondContact O-CD1 3.24Å; M120-L124 WeakPolarHBondContact O-CG 3.15Å; M120-L124 PolarHBondContact O-N 2.86Å; M120-L146 HydrophobicContact CE-CD1 3.78Å; M120-L146 HydrophobicContact SD-CD1 4.47Å; M120-F161 HydrophobicContact CE-CZ 4.36Å; M120-F161 HydrophobicContact SD-CZ 4.19Å
121K96Very high95.4Very high119 Ų11967.3 Ų67.352%0.51733%0.331SS..Hα-helixtrans-58.9-42.8170.9175.7166.7173.145.50111.5N117 Y119 L124 D125N117-K121 WeakPolarHBondContact O-CB 3.2Å; N117-K121 PolarHBondContact O-N 3.06Å; Y119-K121 VanDerWaalsContact C-N 3.25Å; Y119-K121 PolarHBondContact O-N 3.48Å; K121-L124 PolarHBondContact O-N 3.27Å; K121-D125 WeakPolarHBondContact CG-OD2 3.24Å; K121-D125 IonicContact NZ-OD1 3.1Å; K121-D125 PolarHBondContact NZ-OD1 3.35Å; K121-D125 IonicContact NZ-OD2 3.42Å; K121-D125 PolarHBondContact NZ-OD2 2.98Å; K121-D125 VanDerWaalsContact O-CB 3.32Å; K121-D125 WeakPolarHBondContact O-CB 3.5Å; K121-D125 PolarHBondContact O-N 2.88Å
122N94.8Very high95.6Very high84 Ų8463 Ų6345%0.44931%0.308SS..Hα-helixtrans-64.2-42.8176.6176.2-97000111.7Y119 M120 L124 D125 N126Y119-N122 WeakPolarHBondContact O-CB 3.47Å; Y119-N122 PolarHBondContact O-N 3.03Å; M120-N122 VanDerWaalsContact C-N 3.3Å; M120-N122 PolarHBondContact O-N 3.33Å; N122-L124 VanDerWaalsContact C-N 3.33Å; N122-L124 PolarHBondContact O-N 3.35Å; N122-D125 PolarHBondContact O-N 2.84Å; N122-N126 PolarHBondContact ND2-ND2 3.4Å; N122-N126 PolarHBondContact O-N 3.24Å; N122-N126 PolarHBondContact O-ND2 3.34Å
123V96.5Very high95.8Very high0 Ų063.7 Ų63.70%031%0.31CS..Hα-helixtrans-58.3-46.7174177.50000111Y86 Y119 M120 N126 F127 Y130 L146Y86-V123 HydrophobicContact CE1-CG1 4.46Å; Y119-V123 HydrophobicContact CD1-CG2 4.14Å; Y119-V123 HydrophobicContact CE1-CG2 4Å; Y119-V123 PolarHBondContact O-N 3Å; M120-V123 HydrophobicContact CE-CG2 3.98Å; M120-V123 PolarHBondContact O-N 3.31Å; V123-N126 CarbonylContact O-C 3.51Å; V123-N126 VanDerWaalsContact O-C 3.29Å; V123-N126 PolarHBondContact O-N 3Å; V123-F127 WeakPolarHBondContact O-CA 3.35Å; V123-F127 PolarHBondContact O-N 3.03Å; V123-Y130 HydrophobicContact CB-CD2 4.46Å; V123-Y130 HydrophobicContact CB-CE2 4.17Å; V123-Y130 HydrophobicContact CG1-CD1 4.28Å; V123-Y130 HydrophobicContact CG1-CD2 3.92Å; V123-Y130 HydrophobicContact CG1-CE1 4.43Å; V123-Y130 HydrophobicContact CG1-CE2 4.1Å; V123-Y130 HydrophobicContact CG1-CG 4.02Å; V123-Y130 HydrophobicContact CG2-CE1 4.15Å; V123-Y130 HydrophobicContact CG2-CE2 4.16Å; V123-L146 HydrophobicContact CB-CD1 4.47Å; V123-L146 HydrophobicContact CG1-CD1 3.83Å; V123-L146 HydrophobicContact CG2-CD1 3.88Å
124L96.5Very high96.3Very high25 Ų2557.9 Ų57.913%0.13129%0.286CS..Hα-helixtrans-70.6-33.2-177.9-67.9169.7000112.9Q83 Y86 K87 M120 K121 N122 N126 F127Q83-L124 HydrophobicContact CG-CD2 3.72Å; Q83-L124 PolarHBondContact NE2-O 3.23Å; Y86-L124 HydrophobicContact CD1-CD2 3.94Å; Y86-L124 HydrophobicContact CE1-CD2 4.4Å; K87-L124 HydrophobicContact CD-CD1 4.38Å; K87-L124 HydrophobicContact CD-CD2 4.33Å; K87-L124 VanDerWaalsContact CE-CD1 3.5Å; K87-L124 HydrophobicContact CG-CD1 3.99Å; K87-L124 HydrophobicContact CG-CD2 3.75Å; M120-L124 WeakPolarHBondContact O-CB 3.47Å; M120-L124 WeakPolarHBondContact O-CD1 3.24Å; M120-L124 WeakPolarHBondContact O-CG 3.15Å; M120-L124 PolarHBondContact O-N 2.86Å; K121-L124 PolarHBondContact O-N 3.27Å; N122-L124 VanDerWaalsContact C-N 3.33Å; N122-L124 PolarHBondContact O-N 3.35Å; L124-N126 VanDerWaalsContact C-N 3.33Å; L124-F127 HydrophobicContact CD2-CD2 4.23Å
125D97Very high96.5Very high98 Ų9855.3 Ų55.352%0.52427%0.269SS..Hα-helixtrans-74.5-24.6177.2-69.6-16000111.5K121 N122K121-D125 WeakPolarHBondContact CG-OD2 3.24Å; K121-D125 IonicContact NZ-OD1 3.1Å; K121-D125 PolarHBondContact NZ-OD1 3.35Å; K121-D125 IonicContact NZ-OD2 3.42Å; K121-D125 PolarHBondContact NZ-OD2 2.98Å; K121-D125 VanDerWaalsContact O-CB 3.32Å; K121-D125 WeakPolarHBondContact O-CB 3.5Å; K121-D125 PolarHBondContact O-N 2.88Å; N122-D125 PolarHBondContact O-N 2.84Å
126N96.3Very high96.6Very high49 Ų4954.8 Ų54.826%0.26227%0.271SS..THydrogen-bonded Turntrans-117.134.3176.8-56.3-81.9000111.9N122 V123 L124 D128 Q129 Y130N122-N126 PolarHBondContact ND2-ND2 3.4Å; N122-N126 PolarHBondContact O-N 3.24Å; N122-N126 PolarHBondContact O-ND2 3.34Å; V123-N126 CarbonylContact O-C 3.51Å; V123-N126 VanDerWaalsContact O-C 3.29Å; V123-N126 PolarHBondContact O-N 3Å; L124-N126 VanDerWaalsContact C-N 3.33Å; N126-D128 PolarHBondContact O-N 3.44Å; N126-D128 VanDerWaalsContact O-N 3.15Å; N126-Q129 HydrophobicContact CB-CG 4.43Å; N126-Q129 WeakPolarHBondContact O-CB 3.23Å; N126-Q129 PolarHBondContact O-N 3.21Å; N126-Y130 HydrophobicContact CB-CE2 4.46Å; N126-Y130 WeakPolarHBondContact O-CD2 3.34Å
127F97.4Very high96.7Very high30 Ų3058.1 Ų58.113%0.13229%0.294CS..G310 helixtrans-59.3-32.1-166.1-174.5-91.2000114F81 Q83 Y86 V123 L124 Q129 Y130 F132F81-F127 HydrophobicContact CB-CZ 3.89Å; F81-F127 WeakPolarHBondContact O-CE1 3.5Å; Q83-F127 HydrophobicContact CB-CD1 4.43Å; Q83-F127 HydrophobicContact CB-CD2 4.38Å; Q83-F127 HydrophobicContact CB-CG 4.33Å; Q83-F127 HydrophobicContact CG-CD2 4.15Å; Q83-F127 HydrophobicContact CG-CG 4.3Å; Y86-F127 AromaticContact CD1-CE2 3.86Å; Y86-F127 HydrophobicContact CD1-CE2 3.86Å; Y86-F127 AromaticContact CG-CE2 3.95Å; Y86-F127 HydrophobicContact CG-CE2 3.95Å; V123-F127 WeakPolarHBondContact O-CA 3.35Å; V123-F127 PolarHBondContact O-N 3.03Å; L124-F127 HydrophobicContact CD2-CD2 4.23Å; F127-Q129 PolarHBondContact O-N 3.4Å; F127-Y130 PolarHBondContact O-N 2.83Å; F127-F132 HydrophobicContact CD2-CE2 4.41Å; F127-F132 AromaticContact CD2-CZ 3.7Å; F127-F132 HydrophobicContact CD2-CZ 3.7Å; F127-F132 AromaticContact CE1-CE2 3.96Å; F127-F132 HydrophobicContact CE1-CE2 3.96Å; F127-F132 HydrophobicContact CE1-CZ 4.16Å; F127-F132 AromaticContact CE2-CE1 3.84Å; F127-F132 HydrophobicContact CE2-CE1 3.84Å; F127-F132 AromaticContact CE2-CE2 3.78Å; F127-F132 HydrophobicContact CE2-CE2 3.78Å; F127-F132 AromaticContact CE2-CZ 3.13Å; F127-F132 HydrophobicContact CE2-CZ 3.13Å; F127-F132 HydrophobicContact CG-CZ 4.42Å; F127-F132 HydrophobicContact CZ-CD2 4.48Å; F127-F132 HydrophobicContact CZ-CE1 4.26Å; F127-F132 AromaticContact CZ-CE2 3.5Å; F127-F132 HydrophobicContact CZ-CE2 3.5Å; F127-F132 AromaticContact CZ-CZ 3.39Å; F127-F132 HydrophobicContact CZ-CZ 3.39Å
128D96.5Very high96.8Very high143 Ų14356.5 Ų56.577%0.76529%0.29SS*.G310 helixtrans-68.2-16.9177.860.6-31.2000114.1N126N126-D128 PolarHBondContact O-N 3.44Å; N126-D128 VanDerWaalsContact O-N 3.15Å
129Q96.6Very high96.9Very high100 Ų10051.2 Ų51.247%0.46727%0.27SS..G310 helixtrans-87.9-9.8174.7-57.3176.78.600112.6N126 F127 N148N126-Q129 HydrophobicContact CB-CG 4.43Å; N126-Q129 WeakPolarHBondContact O-CB 3.23Å; N126-Q129 PolarHBondContact O-N 3.21Å; F127-Q129 PolarHBondContact O-N 3.4Å; Q129-N148 PolarHBondContact O-OD1 2.92Å; Q129-N148 VanDerWaalsContact O-OD1 3.06Å
130Y98.1Very high96.7Very high14 Ų1453.8 Ų53.86%0.05529%0.29CS..  trans-99.8134.2-178.5-75.8-90.4000111.6V123 N126 F127 F132 L146 M147 N148 Y157V123-Y130 HydrophobicContact CB-CD2 4.46Å; V123-Y130 HydrophobicContact CB-CE2 4.17Å; V123-Y130 HydrophobicContact CG1-CD1 4.28Å; V123-Y130 HydrophobicContact CG1-CD2 3.92Å; V123-Y130 HydrophobicContact CG1-CE1 4.43Å; V123-Y130 HydrophobicContact CG1-CE2 4.1Å; V123-Y130 HydrophobicContact CG1-CG 4.02Å; V123-Y130 HydrophobicContact CG2-CE1 4.15Å; V123-Y130 HydrophobicContact CG2-CE2 4.16Å; N126-Y130 HydrophobicContact CB-CE2 4.46Å; N126-Y130 WeakPolarHBondContact O-CD2 3.34Å; F127-Y130 PolarHBondContact O-N 2.83Å; Y130-F132 VanDerWaalsContact O-CE2 3.29Å; Y130-F132 WeakPolarHBondContact O-CE2 3.41Å; Y130-L146 HydrophobicContact CD1-CB 3.96Å; Y130-L146 HydrophobicContact CE1-CB 4.34Å; Y130-M147 CarbonylContact C-O 3.59Å; Y130-M147 VanDerWaalsContact CA-O 3.26Å; Y130-M147 WeakPolarHBondContact CA-O 3.48Å; Y130-M147 WeakPolarHBondContact CD1-O 3.22Å; Y130-N148 HydrophobicContact CD1-CB 3.68Å; Y130-N148 HydrophobicContact CE1-CB 3.56Å; Y130-N148 HydrophobicContact CE2-CB 4.5Å; Y130-N148 WeakPolarHBondContact CE2-ND2 3.46Å; Y130-N148 HydrophobicContact CG-CB 4.23Å; Y130-Y157 PolarHBondContact OH-OH 3.4Å; Y130-Y157 VanDerWaalsContact OH-OH 3.08Å
131E98.1Very high96.7Very high84 Ų8458.9 Ų58.939%0.39332%0.318SS..EExtended strand (participates in β ladder)trans-99.3150.5162.7-66.3-177.5-166.900109.9Y133 M147E131-Y133 HydrophobicContact CB-CD2 4.48Å; E131-Y133 HydrophobicContact CB-CE2 3.7Å; E131-Y133 PolarHBondContact OE2-OH 3.43Å; E131-M147 HydrophobicContact CB-CB 4.23Å; E131-M147 HydrophobicContact CB-SD 4.19Å; E131-M147 HydrophobicContact CG-SD 4.4Å; E131-M147 PolarHBondContact N-O 2.88Å; E131-M147 PolarHBondContact O-N 2.86Å
132F98.5Very high96.8Very high8 Ų853.5 Ų53.54%0.03530%0.295CS..EExtended strand (participates in β ladder)trans-121.8136.3-173.8-57.3-95.1000109.9S78 V79 F81 Y86 F127 Y130 I144 V145 L146S78-F132 WeakPolarHBondContact CA-O 3.3Å; V79-F132 PolarHBondContact N-O 3Å; F81-F132 HydrophobicContact CB-CD2 4.1Å; F81-F132 HydrophobicContact CB-CE2 4.39Å; F81-F132 HydrophobicContact CB-CG 4.25Å; F81-F132 HydrophobicContact CD2-CB 3.72Å; F81-F132 HydrophobicContact CD2-CD1 4.2Å; F81-F132 HydrophobicContact CD2-CD2 4.48Å; F81-F132 AromaticContact CD2-CG 3.88Å; F81-F132 HydrophobicContact CD2-CG 3.88Å; F81-F132 HydrophobicContact CE2-CB 4.37Å; F81-F132 HydrophobicContact CG-CG 4.47Å; Y86-F132 HydrophobicContact CD1-CE1 4.05Å; Y86-F132 AromaticContact CD2-CD1 3.76Å; Y86-F132 HydrophobicContact CD2-CD1 3.76Å; Y86-F132 AromaticContact CD2-CE1 3.62Å; Y86-F132 HydrophobicContact CD2-CE1 3.62Å; Y86-F132 HydrophobicContact CE1-CE1 4.14Å; Y86-F132 AromaticContact CE2-CD1 3.83Å; Y86-F132 HydrophobicContact CE2-CD1 3.83Å; Y86-F132 AromaticContact CE2-CE1 3.73Å; Y86-F132 HydrophobicContact CE2-CE1 3.73Å; Y86-F132 HydrophobicContact CG-CD1 4.36Å; Y86-F132 AromaticContact CG-CE1 3.81Å; Y86-F132 HydrophobicContact CG-CE1 3.81Å; F127-F132 HydrophobicContact CD2-CE2 4.41Å; F127-F132 AromaticContact CD2-CZ 3.7Å; F127-F132 HydrophobicContact CD2-CZ 3.7Å; F127-F132 AromaticContact CE1-CE2 3.96Å; F127-F132 HydrophobicContact CE1-CE2 3.96Å; F127-F132 HydrophobicContact CE1-CZ 4.16Å; F127-F132 AromaticContact CE2-CE1 3.84Å; F127-F132 HydrophobicContact CE2-CE1 3.84Å; F127-F132 AromaticContact CE2-CE2 3.78Å; F127-F132 HydrophobicContact CE2-CE2 3.78Å; F127-F132 AromaticContact CE2-CZ 3.13Å; F127-F132 HydrophobicContact CE2-CZ 3.13Å; F127-F132 HydrophobicContact CG-CZ 4.42Å; F127-F132 HydrophobicContact CZ-CD2 4.48Å; F127-F132 HydrophobicContact CZ-CE1 4.26Å; F127-F132 AromaticContact CZ-CE2 3.5Å; F127-F132 HydrophobicContact CZ-CE2 3.5Å; F127-F132 AromaticContact CZ-CZ 3.39Å; F127-F132 HydrophobicContact CZ-CZ 3.39Å; Y130-F132 VanDerWaalsContact O-CE2 3.29Å; Y130-F132 WeakPolarHBondContact O-CE2 3.41Å; F132-I144 HydrophobicContact CB-CG2 3.81Å; F132-I144 HydrophobicContact CD1-CG2 3.8Å; F132-I144 HydrophobicContact CG-CG2 4.3Å; F132-V145 WeakPolarHBondContact CA-O 3.34Å; F132-L146 HydrophobicContact CD1-CD2 3.32Å; F132-L146 HydrophobicContact CE1-CD2 3.26Å; F132-L146 HydrophobicContact CG-CD2 4.43Å; F132-L146 HydrophobicContact CZ-CD2 4.33Å
133Y98.6Very high97Very high18 Ų1849.6 Ų49.67%0.07127%0.274CS..EExtended strand (participates in β ladder)trans-132.1142.1-176.1-68.5-94.4000111.5V71 F76 I77 E131 I144 V145 M147 F158V71-Y133 HydrophobicContact CB-CE1 4.49Å; V71-Y133 HydrophobicContact CG1-CD1 4.24Å; V71-Y133 HydrophobicContact CG1-CE1 3.76Å; V71-Y133 HydrophobicContact CG2-CD1 4.24Å; V71-Y133 HydrophobicContact CG2-CE1 3.82Å; F76-Y133 HydrophobicContact CB-CD1 3.86Å; F76-Y133 HydrophobicContact CB-CG 4.34Å; I77-Y133 CarbonylContact O-C 3.59Å; I77-Y133 VanDerWaalsContact O-CA 3.29Å; I77-Y133 WeakPolarHBondContact O-CA 3.29Å; E131-Y133 HydrophobicContact CB-CD2 4.48Å; E131-Y133 HydrophobicContact CB-CE2 3.7Å; E131-Y133 PolarHBondContact OE2-OH 3.43Å; Y133-I144 CarbonylContact O-C 3.49Å; Y133-I144 WeakPolarHBondContact O-CA 3.22Å; Y133-V145 PolarHBondContact N-O 2.88Å; Y133-V145 PolarHBondContact O-N 3.41Å; Y133-M147 HydrophobicContact CD2-CB 3.99Å; Y133-M147 HydrophobicContact CE2-CB 3.72Å; Y133-M147 HydrophobicContact CE2-CG 4.21Å; Y133-F158 HydrophobicContact CD2-CE1 4.09Å; Y133-F158 HydrophobicContact CE2-CE1 4.22Å
134M98Very high97.1Very high31 Ų3149.8 Ų49.815%0.15328%0.275CS..EExtended strand (participates in β ladder)trans-97.6155.6163.9-74.8-172.8-53.900110.2F76 I77 V79 I144F76-M134 WeakPolarHBondContact CA-O 3.36Å; I77-M134 PolarHBondContact N-O 3.21Å; I77-M134 PolarHBondContact O-N 2.92Å; V79-M134 HydrophobicContact CG2-CB 4.17Å; V79-M134 HydrophobicContact CG2-CE 3.43Å; V79-M134 VanDerWaalsContact CG2-CE 3.43Å; V79-M134 HydrophobicContact CG2-CG 3.66Å; V79-M134 HydrophobicContact CG2-SD 4.01Å; M134-I144 HydrophobicContact CG-CD1 3.41Å; M134-I144 VanDerWaalsContact CG-CD1 3.41Å; M134-I144 HydrophobicContact SD-CD1 4.34Å
135G97.1Very high97.2Very high6 Ų648.6 Ų48.66%0.06227%0.269CS..  trans-62.4164.6163.700000112.4S137 S138G135-S137 PolarHBondContact O-N 2.86Å; G135-S137 VanDerWaalsContact O-N 3.16Å; G135-S138 PolarHBondContact O-N 2.91Å
136P97Very high97.2Very high58 Ų5844.1 Ų44.138%0.37725%0.245SC..THydrogen-bonded Turntrans-59.3-26.9-176.723.3-34.4000113.5D11 N74 S138D11-P136 HydrophobicContact CB-CG 4.15Å; N74-P136 WeakPolarHBondContact O-CD 3.4Å; P136-S138 PolarHBondContact O-N 2.63Å; P136-S138 PolarHBondContact O-OG 3.26Å
137S97.9Very high97.3Very high69 Ų6941.8 Ų41.848%0.48323%0.233SC..THydrogen-bonded Turntrans-67.4-12174.8-700000113.7D11 G135 N139D11-S137 WeakPolarHBondContact OD1-CB 3.42Å; D11-S137 PolarHBondContact OD1-OG 2.9Å; D11-S137 WeakPolarHBondContact OD2-CB 3.44Å; D11-S137 PolarHBondContact OD2-N 3.08Å; D11-S137 PolarHBondContact OD2-OG 2.86Å; G135-S137 PolarHBondContact O-N 2.86Å; G135-S137 VanDerWaalsContact O-N 3.16Å; S137-N139 PolarHBondContact O-N 2.69Å; S137-N139 VanDerWaalsContact O-N 3.12Å
138S95.2Very high97.4Very high53 Ų5341 Ų4137%0.37123%0.23SC..  trans53.931.5177.6-54.90000114.1I77 G135 P136 P140I77-S138 WeakPolarHBondContact CD1-OG 3.24Å; G135-S138 PolarHBondContact O-N 2.91Å; P136-S138 PolarHBondContact O-N 2.63Å; P136-S138 PolarHBondContact O-OG 3.26Å; S138-P140 WeakPolarHBondContact O-CD 3.15Å
139N96.5Very high97.4Very high50 Ų5037.5 Ų37.527%0.26721%0.208SC..  trans-80.2119.7-179-175.6-24.2000109.9T9 S137 D141 A142T9-N139 HydrophobicContact CG2-CB 3.47Å; T9-N139 VanDerWaalsContact CG2-CB 3.47Å; S137-N139 PolarHBondContact O-N 2.69Å; S137-N139 VanDerWaalsContact O-N 3.12Å; N139-D141 PolarHBondContact O-N 3.34Å; N139-D141 WeakPolarHBondContact OD1-CB 3.37Å; N139-D141 PolarHBondContact OD1-N 3.35Å; N139-A142 HydrophobicContact CB-CB 3.96Å; N139-A142 WeakPolarHBondContact O-CB 3.28Å; N139-A142 PolarHBondContact O-N 3.33Å; N139-A142 VanDerWaalsContact O-N 3.15Å
140P93Very high97.4Very high87 Ų8734.8 Ų34.857%0.56519%0.193SC*.THydrogen-bonded Turntrans-68.4-18.2-177.229.3-36.7000113.9H89 S138H89-P140 PolarHBondContact CD2-O 3.03Å; H89-P140 PolarHBondContact NE2-O 3Å; S138-P140 WeakPolarHBondContact O-CD 3.15Å
141D95.7Very high97.3Very high111 Ų11144.1 Ų44.159%0.59424%0.237SC*.THydrogen-bonded Turntrans-88.5-11.8177.9-60.6-38.9000112.4I8 N139I8-D141 VanDerWaalsContact CD1-O 3.23Å; I8-D141 WeakPolarHBondContact CD1-O 3.14Å; N139-D141 PolarHBondContact O-N 3.34Å; N139-D141 WeakPolarHBondContact OD1-CB 3.37Å; N139-D141 PolarHBondContact OD1-N 3.35Å
142A97.6Very high97.1Very high5 Ų544.4 Ų44.44%0.04124%0.242CC..SBendtrans-76.5179.5179.100000112.7I8 T9 H89 N139 I144I8-A142 HydrophobicContact CB-CB 4.43Å; T9-A142 HydrophobicContact CG2-CB 3.71Å; H89-A142 PolarHBondContact CE1-O 3.45Å; H89-A142 PolarHBondContact NE2-O 2.89Å; H89-A142 VanDerWaalsContact NE2-O 3.12Å; N139-A142 HydrophobicContact CB-CB 3.96Å; N139-A142 WeakPolarHBondContact O-CB 3.28Å; N139-A142 PolarHBondContact O-N 3.33Å; N139-A142 VanDerWaalsContact O-N 3.15Å; A142-I144 PolarHBondContact O-N 3.37Å
143M98.2Very high96.9Very high2 Ų246.3 Ų46.31%0.0126%0.264CS..PPolyproline II helixtrans-63.2132.2177.9-166-178.1-54.900111.6D6 Y93 F160 F161 L165D6-M143 WeakPolarHBondContact OD2-CB 3.16Å; D6-M143 PolarHBondContact OD2-N 3.06Å; D6-M143 VanDerWaalsContact OD2-N 3.11Å; Y93-M143 HydrophobicContact CE1-CB 4.44Å; Y93-M143 HydrophobicContact CE1-CG 4.19Å; Y93-M143 HydrophobicContact CE2-CB 4.12Å; Y93-M143 WeakPolarHBondContact OH-CB 3.4Å; Y93-M143 VanDerWaalsContact OH-CE 3.24Å; Y93-M143 WeakPolarHBondContact OH-CE 3.36Å; M143-F160 HydrophobicContact SD-CB 3.82Å; M143-F160 HydrophobicContact SD-CD1 4Å; M143-F160 HydrophobicContact SD-CG 4.4Å; M143-F161 HydrophobicContact CE-CB 3.9Å; M143-F161 VanDerWaalsContact CE-O 3.28Å; M143-F161 WeakPolarHBondContact CE-O 3.27Å; M143-F161 HydrophobicContact CG-CD2 4.43Å; M143-F161 HydrophobicContact SD-CB 4.31Å; M143-F161 PolarHBondContact SD-N 3.31Å; M143-L165 HydrophobicContact CE-CD2 3.92Å; M143-L165 HydrophobicContact CE-CG 3.97Å
144I98.4Very high96.7Very high5 Ų551.2 Ų51.23%0.02629%0.289CS..PPolyproline II helixtrans-89.6117.1160.1-62.4-58.4000108F81 Y86 H89 F132 Y133 M134 A142F81-I144 HydrophobicContact CD2-CG2 4.49Å; F81-I144 HydrophobicContact CE2-CD1 3.77Å; F81-I144 HydrophobicContact CE2-CG1 3.87Å; F81-I144 HydrophobicContact CE2-CG2 4.05Å; F81-I144 HydrophobicContact CZ-CD1 4.06Å; F81-I144 HydrophobicContact CZ-CG1 3.99Å; Y86-I144 HydrophobicContact CD2-CG2 4.48Å; Y86-I144 HydrophobicContact CE2-CB 4.31Å; Y86-I144 HydrophobicContact CE2-CG2 4.07Å; H89-I144 VanDerWaalsContact CE1-CG1 3.42Å; H89-I144 WeakPolarHBondContact CE1-CG1 3.23Å; F132-I144 HydrophobicContact CB-CG2 3.81Å; F132-I144 HydrophobicContact CD1-CG2 3.8Å; F132-I144 HydrophobicContact CG-CG2 4.3Å; Y133-I144 CarbonylContact O-C 3.49Å; Y133-I144 WeakPolarHBondContact O-CA 3.22Å; M134-I144 HydrophobicContact CG-CD1 3.41Å; M134-I144 VanDerWaalsContact CG-CD1 3.41Å; M134-I144 HydrophobicContact SD-CD1 4.34Å; A142-I144 PolarHBondContact O-N 3.37Å
145V98.5Very high96.7Very high0 Ų051.8 Ų51.80%029%0.294CS..EExtended strand (participates in β ladder)trans-80.3132.1175.7-169.90000108.7M13 F76 F132 Y133 F158 F160M13-V145 HydrophobicContact CE-CG2 3.24Å; F76-V145 HydrophobicContact CE2-CG1 4.34Å; F76-V145 HydrophobicContact CE2-CG2 4.27Å; F76-V145 HydrophobicContact CZ-CG2 4.27Å; F132-V145 WeakPolarHBondContact CA-O 3.34Å; Y133-V145 PolarHBondContact N-O 2.88Å; Y133-V145 PolarHBondContact O-N 3.41Å; V145-F158 HydrophobicContact CG1-CB 4.06Å; V145-F158 HydrophobicContact CG1-CD1 3.71Å; V145-F158 HydrophobicContact CG1-CG 4.37Å; V145-F160 HydrophobicContact CB-CD1 4.4Å; V145-F160 HydrophobicContact CB-CE1 4.07Å; V145-F160 HydrophobicContact CG1-CD1 3.76Å; V145-F160 HydrophobicContact CG1-CE1 3.31Å; V145-F160 HydrophobicContact CG1-CE2 4.18Å; V145-F160 HydrophobicContact CG1-CG 4.36Å; V145-F160 HydrophobicContact CG1-CZ 3.54Å; V145-F160 HydrophobicContact CG2-CD1 3.83Å; V145-F160 HydrophobicContact CG2-CE1 3.53Å; V145-F160 HydrophobicContact CG2-CZ 4.5Å
146L98.6Very high96.7Very high3 Ų351.6 Ų51.62%0.01629%0.291CS..EExtended strand (participates in β ladder)trans-95.2139.5176-53.7179.9000109.7Y86 M120 V123 Y130 F132 F158 V159Y86-L146 HydrophobicContact CE2-CD2 3.95Å; Y86-L146 WeakPolarHBondContact OH-CD2 3.31Å; M120-L146 HydrophobicContact CE-CD1 3.78Å; M120-L146 HydrophobicContact SD-CD1 4.47Å; V123-L146 HydrophobicContact CB-CD1 4.47Å; V123-L146 HydrophobicContact CG1-CD1 3.83Å; V123-L146 HydrophobicContact CG2-CD1 3.88Å; Y130-L146 HydrophobicContact CD1-CB 3.96Å; Y130-L146 HydrophobicContact CE1-CB 4.34Å; F132-L146 HydrophobicContact CD1-CD2 3.32Å; F132-L146 HydrophobicContact CE1-CD2 3.26Å; F132-L146 HydrophobicContact CG-CD2 4.43Å; F132-L146 HydrophobicContact CZ-CD2 4.33Å; L146-F158 CarbonylContact O-C 3.29Å; L146-F158 WeakPolarHBondContact O-CA 3.39Å; L146-V159 HydrophobicContact CB-CB 4.05Å; L146-V159 HydrophobicContact CB-CG2 4.29Å; L146-V159 HydrophobicContact CD1-CB 4.48Å; L146-V159 PolarHBondContact N-O 3.13Å; L146-V159 PolarHBondContact O-N 2.89Å
147M98.4Very high96.8Very high1 Ų149.7 Ų49.71%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-125.7136.8173.8179.5-80.7178.100109.4I68 Y130 E131 Y133 F149 P156 Y157 F158I68-M147 HydrophobicContact CD1-CE 3.57Å; Y130-M147 CarbonylContact C-O 3.59Å; Y130-M147 VanDerWaalsContact CA-O 3.26Å; Y130-M147 WeakPolarHBondContact CA-O 3.48Å; Y130-M147 WeakPolarHBondContact CD1-O 3.22Å; E131-M147 HydrophobicContact CB-CB 4.23Å; E131-M147 HydrophobicContact CB-SD 4.19Å; E131-M147 HydrophobicContact CG-SD 4.4Å; E131-M147 PolarHBondContact N-O 2.88Å; E131-M147 PolarHBondContact O-N 2.86Å; Y133-M147 HydrophobicContact CD2-CB 3.99Å; Y133-M147 HydrophobicContact CE2-CB 3.72Å; Y133-M147 HydrophobicContact CE2-CG 4.21Å; M147-F149 HydrophobicContact CE-CD1 4.31Å; M147-F149 HydrophobicContact CE-CD2 4.15Å; M147-F149 HydrophobicContact CE-CE1 3.77Å; M147-F149 HydrophobicContact CE-CE2 3.6Å; M147-F149 HydrophobicContact CE-CG 4.48Å; M147-F149 HydrophobicContact CE-CZ 3.39Å; M147-F149 HydrophobicContact SD-CE2 4.36Å; M147-P156 HydrophobicContact CE-CB 3.37Å; M147-Y157 WeakPolarHBondContact CA-O 3.23Å; M147-F158 HydrophobicContact CB-CD1 3.81Å; M147-F158 HydrophobicContact CB-CE1 3.54Å; M147-F158 HydrophobicContact CB-CG 4.48Å; M147-F158 HydrophobicContact CB-CZ 3.96Å; M147-F158 HydrophobicContact CG-CD1 4.16Å; M147-F158 HydrophobicContact CG-CD2 4.49Å; M147-F158 HydrophobicContact CG-CE1 3.62Å; M147-F158 HydrophobicContact CG-CE2 3.95Å; M147-F158 HydrophobicContact CG-CZ 3.45Å; M147-F158 VanDerWaalsContact CG-CZ 3.45Å
148N98.1Very high96.9Very high14 Ų1446.4 Ų46.48%0.07525%0.254CS..EExtended strand (participates in β ladder)trans-148.9177.8169-168.9-7000108.4Q129 Y130 Y157Q129-N148 PolarHBondContact O-OD1 2.92Å; Q129-N148 VanDerWaalsContact O-OD1 3.06Å; Y130-N148 HydrophobicContact CD1-CB 3.68Å; Y130-N148 HydrophobicContact CE1-CB 3.56Å; Y130-N148 HydrophobicContact CE2-CB 4.5Å; Y130-N148 WeakPolarHBondContact CE2-ND2 3.46Å; Y130-N148 HydrophobicContact CG-CB 4.23Å; N148-Y157 HydrophobicContact CB-CD1 4.46Å; N148-Y157 HydrophobicContact CB-CE1 3.67Å; N148-Y157 PolarHBondContact N-O 3.43Å; N148-Y157 WeakPolarHBondContact O-CD1 3.49Å; N148-Y157 PolarHBondContact O-N 3.18Å
149F97.7Very high97Very high69 Ų6944.1 Ų44.130%0.30324%0.237SC..EExtended strand (participates in β ladder)trans-98.7145.1174.3-66.3-84.2000111.2F34 M147 T155 P156 Y157F34-F149 AromaticContact CE2-CE1 3.79Å; F34-F149 HydrophobicContact CE2-CE1 3.79Å; F34-F149 HydrophobicContact CE2-CZ 4.46Å; F34-F149 AromaticContact CZ-CE1 3.77Å; F34-F149 HydrophobicContact CZ-CE1 3.77Å; F34-F149 AromaticContact CZ-CZ 3.98Å; F34-F149 HydrophobicContact CZ-CZ 3.98Å; M147-F149 HydrophobicContact CE-CD1 4.31Å; M147-F149 HydrophobicContact CE-CD2 4.15Å; M147-F149 HydrophobicContact CE-CE1 3.77Å; M147-F149 HydrophobicContact CE-CE2 3.6Å; M147-F149 HydrophobicContact CE-CG 4.48Å; M147-F149 HydrophobicContact CE-CZ 3.39Å; M147-F149 HydrophobicContact SD-CE2 4.36Å; F149-T155 CarbonylContact C-O 3.56Å; F149-T155 WeakPolarHBondContact CA-O 3.32Å; F149-P156 HydrophobicContact CD1-CB 4.32Å; F149-P156 HydrophobicContact CE1-CB 4.06Å; F149-Y157 WeakPolarHBondContact O-CE1 3.43Å
150R96.9Very high97.1Very high43 Ų4341.8 Ų41.816%0.16223%0.225CC..  trans-62.7171.9170.6-63.4-60.9-176.1-164.3-6.8110.6R21 E29 D31 D152 G153 T155 Y157R21-R150 VanDerWaalsContact NH2-NH1 3.14Å; E29-R150 IonicContact OE2-CZ 2.74Å; E29-R150 IonicContact OE2-NH1 3.91Å; E29-R150 PolarHBondContact OE2-NH1 2.9Å; E29-R150 IonicContact OE2-NH2 3.63Å; E29-R150 PolarHBondContact OE2-NH2 3.06Å; E29-R150 VanDerWaalsContact OE2-NH2 3.1Å; D31-R150 IonicContact OD1-CZ 2.74Å; D31-R150 IonicContact OD1-NE 3.34Å; D31-R150 PolarHBondContact OD1-NE 3.46Å; D31-R150 IonicContact OD1-NH2 3.83Å; D31-R150 PolarHBondContact OD1-NH2 3.31Å; R150-D152 PolarHBondContact O-N 3.09Å; R150-G153 PolarHBondContact O-N 2.9Å; R150-T155 HydrophobicContact CG-CG2 3.97Å; R150-T155 WeakPolarHBondContact CG-O 3.4Å; R150-T155 PolarHBondContact N-O 3.41Å; R150-Y157 HydrophobicContact CG-CD1 4.03Å; R150-Y157 VanDerWaalsContact CZ-CD2 3.46Å; R150-Y157 VanDerWaalsContact NE-CB 3.33Å; R150-Y157 VanDerWaalsContact NH2-CB 3.29Å
151E94.9Very high97.4Very high210 Ų21038.1 Ų38.198%0.98120%0.2SC*.THydrogen-bonded Turntrans-58.3-21179.8-62.9-179.9179.200113.6G153E151-G153 PolarHBondContact O-N 3.08Å
152D95.5Very high97.5Very high90 Ų9034.5 Ų34.548%0.48118%0.179SC..THydrogen-bonded Turntrans-71-11.3172.766.410.6000113.8R150 M154 T155R150-D152 PolarHBondContact O-N 3.09Å; D152-M154 WeakPolarHBondContact O-CG 3.1Å; D152-M154 PolarHBondContact O-N 3.09Å; D152-M154 PolarHBondContact OD1-N 2.87Å; D152-T155 PolarHBondContact OD1-N 3Å; D152-T155 WeakPolarHBondContact OD2-CB 3.17Å; D152-T155 PolarHBondContact OD2-OG1 3.29Å
153G94.2Very high97.4Very high48 Ų4835.4 Ų35.450%0.49518%0.183SC..SBendtrans68.96.4-177.600000114.7R150 E151R150-G153 PolarHBondContact O-N 2.9Å; E151-G153 PolarHBondContact O-N 3.08Å
154M94.3Very high97.4Very high121 Ų12135.3 Ų35.360%0.59618%0.183SC*.SBendtrans-124.5-33.1-169-65.1-63.5-71.700112.6D152 P156D152-M154 WeakPolarHBondContact O-CG 3.1Å; D152-M154 PolarHBondContact O-N 3.09Å; D152-M154 PolarHBondContact OD1-N 2.87Å; M154-P156 VanDerWaalsContact O-CD 3.27Å; M154-P156 WeakPolarHBondContact O-CD 3.49Å
155T97.1Very high97.4Very high43 Ų4335.5 Ų35.526%0.26418%0.184SC..  trans-90.2109.6-176.4-590000109.7D31 F149 R150 D152D31-T155 HydrophobicContact CB-CG2 4.3Å; F149-T155 CarbonylContact C-O 3.56Å; F149-T155 WeakPolarHBondContact CA-O 3.32Å; R150-T155 HydrophobicContact CG-CG2 3.97Å; R150-T155 WeakPolarHBondContact CG-O 3.4Å; R150-T155 PolarHBondContact N-O 3.41Å; D152-T155 PolarHBondContact OD1-N 3Å; D152-T155 WeakPolarHBondContact OD2-CB 3.17Å; D152-T155 PolarHBondContact OD2-OG1 3.29Å
156P98.2Very high97.3Very high1 Ų137.2 Ų37.21%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-68.9141.2173.530.1-34.1000109.8S32 F34 I68 M147 F149 M154S32-P156 PolarHBondContact N-O 2.77Å; S32-P156 WeakPolarHBondContact O-CD 3.39Å; S32-P156 WeakPolarHBondContact O-CG 3.42Å; F34-P156 HydrophobicContact CE2-CG 4.36Å; I68-P156 HydrophobicContact CD1-CB 4.26Å; I68-P156 HydrophobicContact CG2-CG 4.27Å; M147-P156 HydrophobicContact CE-CB 3.37Å; F149-P156 HydrophobicContact CD1-CB 4.32Å; F149-P156 HydrophobicContact CE1-CB 4.06Å; M154-P156 VanDerWaalsContact O-CD 3.27Å; M154-P156 WeakPolarHBondContact O-CD 3.49Å
157Y98.3Very high97.2Very high19 Ų1942.5 Ų42.58%0.07522%0.219CC..EExtended strand (participates in β ladder)trans-134.8150.1171.378-83.4000111.4E29 V30 Y130 M147 N148 F149 R150 V159E29-Y157 HydrophobicContact CG-CD2 4.39Å; V30-Y157 CarbonylContact O-C 3.56Å; V30-Y157 WeakPolarHBondContact O-CA 3.15Å; Y130-Y157 PolarHBondContact OH-OH 3.4Å; Y130-Y157 VanDerWaalsContact OH-OH 3.08Å; M147-Y157 WeakPolarHBondContact CA-O 3.23Å; N148-Y157 HydrophobicContact CB-CD1 4.46Å; N148-Y157 HydrophobicContact CB-CE1 3.67Å; N148-Y157 PolarHBondContact N-O 3.43Å; N148-Y157 WeakPolarHBondContact O-CD1 3.49Å; N148-Y157 PolarHBondContact O-N 3.18Å; F149-Y157 WeakPolarHBondContact O-CE1 3.43Å; R150-Y157 HydrophobicContact CG-CD1 4.03Å; R150-Y157 VanDerWaalsContact CZ-CD2 3.46Å; R150-Y157 VanDerWaalsContact NE-CB 3.33Å; R150-Y157 VanDerWaalsContact NH2-CB 3.29Å; Y157-V159 HydrophobicContact CD2-CG2 4.01Å; Y157-V159 HydrophobicContact CE2-CG2 3.58Å
158F98.7Very high97.2Very high0 Ų045.9 Ų45.90%024%0.235CC..EExtended strand (participates in β ladder)trans-115.6142.1-178-68.1-100.5000110.5E29 V30 I68 L70 V71 F76 Y133 V145 L146 M147 F160E29-F158 CarbonylContact C-O 3.55Å; E29-F158 VanDerWaalsContact CA-O 3.26Å; E29-F158 WeakPolarHBondContact CA-O 3.43Å; V30-F158 PolarHBondContact N-O 3.17Å; V30-F158 PolarHBondContact O-N 3.02Å; I68-F158 HydrophobicContact CD1-CZ 4.31Å; I68-F158 HydrophobicContact CG2-CE2 3.67Å; I68-F158 HydrophobicContact CG2-CZ 3.77Å; L70-F158 HydrophobicContact CB-CE2 4.36Å; L70-F158 HydrophobicContact CD2-CB 4.03Å; L70-F158 HydrophobicContact CD2-CD1 4.28Å; L70-F158 HydrophobicContact CD2-CD2 3.59Å; L70-F158 HydrophobicContact CD2-CE2 4.15Å; L70-F158 HydrophobicContact CD2-CG 3.69Å; V71-F158 HydrophobicContact CG2-CE1 3.68Å; V71-F158 HydrophobicContact CG2-CZ 3.41Å; V71-F158 VanDerWaalsContact CG2-CZ 3.41Å; F76-F158 HydrophobicContact CD2-CE1 4.46Å; Y133-F158 HydrophobicContact CD2-CE1 4.09Å; Y133-F158 HydrophobicContact CE2-CE1 4.22Å; V145-F158 HydrophobicContact CG1-CB 4.06Å; V145-F158 HydrophobicContact CG1-CD1 3.71Å; V145-F158 HydrophobicContact CG1-CG 4.37Å; L146-F158 CarbonylContact O-C 3.29Å; L146-F158 WeakPolarHBondContact O-CA 3.39Å; M147-F158 HydrophobicContact CB-CD1 3.81Å; M147-F158 HydrophobicContact CB-CE1 3.54Å; M147-F158 HydrophobicContact CB-CG 4.48Å; M147-F158 HydrophobicContact CB-CZ 3.96Å; M147-F158 HydrophobicContact CG-CD1 4.16Å; M147-F158 HydrophobicContact CG-CD2 4.49Å; M147-F158 HydrophobicContact CG-CE1 3.62Å; M147-F158 HydrophobicContact CG-CE2 3.95Å; M147-F158 HydrophobicContact CG-CZ 3.45Å; M147-F158 VanDerWaalsContact CG-CZ 3.45Å; F158-F160 HydrophobicContact CB-CD2 4.33Å; F158-F160 HydrophobicContact CB-CE2 3.45Å; F158-F160 VanDerWaalsContact CB-CE2 3.45Å; F158-F160 HydrophobicContact CB-CZ 3.78Å
159V98.7Very high97.1Very high4 Ų453.7 Ų53.72%0.02427%0.268CS..EExtended strand (participates in β ladder)trans-114.7127.3177.2-165.90000109.2F27 Y28 E29 Y119 L146 Y157F27-V159 HydrophobicContact CB-CG1 4.02Å; F27-V159 HydrophobicContact CD1-CG1 3.87Å; F27-V159 HydrophobicContact CG-CG1 4.17Å; Y28-V159 WeakPolarHBondContact O-CA 3.41Å; E29-V159 HydrophobicContact CG-CG2 4.3Å; Y119-V159 HydrophobicContact CE1-CG1 3.84Å; Y119-V159 HydrophobicContact CE1-CG2 4.45Å; Y119-V159 VanDerWaalsContact OH-CG2 3.31Å; Y119-V159 WeakPolarHBondContact OH-CG2 3.45Å; L146-V159 HydrophobicContact CB-CB 4.05Å; L146-V159 HydrophobicContact CB-CG2 4.29Å; L146-V159 HydrophobicContact CD1-CB 4.48Å; L146-V159 PolarHBondContact N-O 3.13Å; L146-V159 PolarHBondContact O-N 2.89Å; Y157-V159 HydrophobicContact CD2-CG2 4.01Å; Y157-V159 HydrophobicContact CE2-CG2 3.58Å
160F98.7Very high96.6Very high1 Ų158.5 Ų58.50%0.00429%0.285CS..EExtended strand (participates in β ladder)trans-122.6145.6177.6-55.1-95.6000109.9M13 F14 F27 Y28 V30 L70 F76 M143 V145 F158 K162 L165M13-F160 HydrophobicContact CB-CD1 4.22Å; M13-F160 HydrophobicContact CB-CE1 3.88Å; M13-F160 HydrophobicContact CE-CD1 4.33Å; M13-F160 HydrophobicContact CE-CE1 4.02Å; F14-F160 HydrophobicContact CD1-CD1 4.15Å; F14-F160 AromaticContact CD1-CD2 3.82Å; F14-F160 HydrophobicContact CD1-CD2 3.82Å; F14-F160 AromaticContact CD1-CE1 3.94Å; F14-F160 HydrophobicContact CD1-CE1 3.94Å; F14-F160 AromaticContact CD1-CE2 3.6Å; F14-F160 HydrophobicContact CD1-CE2 3.6Å; F14-F160 HydrophobicContact CD1-CG 4.09Å; F14-F160 AromaticContact CD1-CZ 3.67Å; F14-F160 HydrophobicContact CD1-CZ 3.67Å; F14-F160 HydrophobicContact CE1-CB 4.18Å; F14-F160 HydrophobicContact CE1-CD1 4.05Å; F14-F160 AromaticContact CE1-CD2 3.55Å; F14-F160 HydrophobicContact CE1-CD2 3.55Å; F14-F160 HydrophobicContact CE1-CE1 4.31Å; F14-F160 AromaticContact CE1-CE2 3.85Å; F14-F160 HydrophobicContact CE1-CE2 3.85Å; F14-F160 AromaticContact CE1-CG 3.66Å; F14-F160 HydrophobicContact CE1-CG 3.66Å; F14-F160 HydrophobicContact CE1-CZ 4.23Å; F14-F160 HydrophobicContact CG-CE2 4.48Å; F14-F160 HydrophobicContact CZ-CD2 4.48Å; F27-F160 CarbonylContact C-O 3.59Å; F27-F160 WeakPolarHBondContact CA-O 3.2Å; Y28-F160 PolarHBondContact N-O 2.85Å; Y28-F160 PolarHBondContact O-N 2.76Å; V30-F160 HydrophobicContact CB-CE2 4.13Å; V30-F160 HydrophobicContact CG2-CD2 4.16Å; V30-F160 HydrophobicContact CG2-CE2 3.92Å; L70-F160 HydrophobicContact CD2-CE2 4.39Å; L70-F160 HydrophobicContact CD2-CZ 4.01Å; F76-F160 HydrophobicContact CE2-CE1 4.16Å; F76-F160 HydrophobicContact CE2-CZ 4.12Å; F76-F160 AromaticContact CZ-CE1 3.96Å; F76-F160 HydrophobicContact CZ-CE1 3.96Å; F76-F160 HydrophobicContact CZ-CZ 4.24Å; M143-F160 HydrophobicContact SD-CB 3.82Å; M143-F160 HydrophobicContact SD-CD1 4Å; M143-F160 HydrophobicContact SD-CG 4.4Å; V145-F160 HydrophobicContact CB-CD1 4.4Å; V145-F160 HydrophobicContact CB-CE1 4.07Å; V145-F160 HydrophobicContact CG1-CD1 3.76Å; V145-F160 HydrophobicContact CG1-CE1 3.31Å; V145-F160 HydrophobicContact CG1-CE2 4.18Å; V145-F160 HydrophobicContact CG1-CG 4.36Å; V145-F160 HydrophobicContact CG1-CZ 3.54Å; V145-F160 HydrophobicContact CG2-CD1 3.83Å; V145-F160 HydrophobicContact CG2-CE1 3.53Å; V145-F160 HydrophobicContact CG2-CZ 4.5Å; F158-F160 HydrophobicContact CB-CD2 4.33Å; F158-F160 HydrophobicContact CB-CE2 3.45Å; F158-F160 VanDerWaalsContact CB-CE2 3.45Å; F158-F160 HydrophobicContact CB-CZ 3.78Å; F160-K162 PolarHBondContact O-N 2.78Å; F160-L165 HydrophobicContact CB-CD1 3.96Å
161F98.4Very high96.6Very high10 Ų1059.3 Ų59.34%0.04429%0.292CS..EExtended strand (participates in β ladder)trans-70.8117.7166.6-78.7-87.2000109.3F27 L90 Y93 L94 I97 V116 M120 M143 D163 G164F27-F161 HydrophobicContact CD1-CD1 4.22Å; F27-F161 HydrophobicContact CD1-CE1 4.33Å; F27-F161 AromaticContact CE1-CD1 3.7Å; F27-F161 HydrophobicContact CE1-CD1 3.7Å; F27-F161 AromaticContact CE1-CE1 3.38Å; F27-F161 HydrophobicContact CE1-CE1 3.38Å; F27-F161 HydrophobicContact CE1-CE2 4.28Å; F27-F161 HydrophobicContact CE1-CG 4.27Å; F27-F161 AromaticContact CE1-CZ 3.7Å; F27-F161 HydrophobicContact CE1-CZ 3.7Å; F27-F161 HydrophobicContact CZ-CD1 4.44Å; F27-F161 AromaticContact CZ-CE1 3.89Å; F27-F161 HydrophobicContact CZ-CE1 3.89Å; F27-F161 HydrophobicContact CZ-CZ 4.35Å; L90-F161 HydrophobicContact CD1-CE2 4.03Å; L90-F161 HydrophobicContact CD1-CZ 3.53Å; Y93-F161 AromaticContact CD1-CD2 3.98Å; Y93-F161 HydrophobicContact CD1-CD2 3.98Å; Y93-F161 HydrophobicContact CD1-CE2 4.2Å; Y93-F161 HydrophobicContact CD1-CG 4.41Å; Y93-F161 HydrophobicContact CE1-CB 4.01Å; Y93-F161 AromaticContact CE1-CD2 3.66Å; Y93-F161 HydrophobicContact CE1-CD2 3.66Å; Y93-F161 HydrophobicContact CE1-CE2 4.34Å; Y93-F161 AromaticContact CE1-CG 3.89Å; Y93-F161 HydrophobicContact CE1-CG 3.89Å; L94-F161 HydrophobicContact CD2-CE1 3.88Å; L94-F161 HydrophobicContact CD2-CZ 4.32Å; I97-F161 HydrophobicContact CD1-CB 4.3Å; V116-F161 HydrophobicContact CG1-CE1 4.04Å; V116-F161 HydrophobicContact CG1-CZ 4.35Å; V116-F161 HydrophobicContact CG2-CE1 4.04Å; M120-F161 HydrophobicContact CE-CZ 4.36Å; M120-F161 HydrophobicContact SD-CZ 4.19Å; M143-F161 HydrophobicContact CE-CB 3.9Å; M143-F161 VanDerWaalsContact CE-O 3.28Å; M143-F161 WeakPolarHBondContact CE-O 3.27Å; M143-F161 HydrophobicContact CG-CD2 4.43Å; M143-F161 HydrophobicContact SD-CB 4.31Å; M143-F161 PolarHBondContact SD-N 3.31Å; F161-D163 PolarHBondContact O-N 3.36Å; F161-G164 WeakPolarHBondContact O-CA 3.42Å; F161-G164 PolarHBondContact O-N 3.18Å
162K97.4Very high96.7Very high36 Ų3651.4 Ų51.416%0.15726%0.255CS..G310 helixtrans-60-45.5-176.5164.8163161.4-750112.4V22 D25 F26 Y28 F160 G164 L165V22-K162 HydrophobicContact CG1-CD 4.23Å; V22-K162 HydrophobicContact CG2-CD 4.34Å; D25-K162 PolarHBondContact O-NZ 3.23Å; D25-K162 VanDerWaalsContact O-NZ 3.08Å; D25-K162 IonicContact OD1-NZ 3.33Å; F26-K162 WeakPolarHBondContact O-CB 3.13Å; F26-K162 PolarHBondContact O-N 3.26Å; Y28-K162 HydrophobicContact CD2-CB 3.71Å; Y28-K162 HydrophobicContact CD2-CD 4.45Å; Y28-K162 HydrophobicContact CD2-CG 4.03Å; Y28-K162 HydrophobicContact CE1-CD 4.05Å; Y28-K162 HydrophobicContact CE2-CB 3.67Å; Y28-K162 HydrophobicContact CE2-CD 3.85Å; Y28-K162 HydrophobicContact CE2-CG 3.43Å; Y28-K162 VanDerWaalsContact CE2-CG 3.43Å; Y28-K162 HydrophobicContact CG-CB 4.4Å; F160-K162 PolarHBondContact O-N 2.78Å; K162-G164 PolarHBondContact O-N 2.92Å; K162-L165 PolarHBondContact O-N 3.03Å
163D96.1Very high96.7Very high24 Ų2449.2 Ų49.213%0.12824%0.243CC..G310 helixtrans-77.8-5.7178.3-58.3-70.4000112.9I97 R100 L101 F161 L165I97-D163 HydrophobicContact CG2-CB 4.21Å; R100-D163 WeakPolarHBondContact CD-O 3.47Å; R100-D163 PolarHBondContact NE-O 3.14Å; L101-D163 HydrophobicContact CD1-CB 4.5Å; L101-D163 HydrophobicContact CD2-CB 4.21Å; L101-D163 HydrophobicContact CG-CB 4.24Å; F161-D163 PolarHBondContact O-N 3.36Å; D163-L165 VanDerWaalsContact C-N 3.26Å
164G97.7Very high96.9Very high0 Ų049.3 Ų49.30%023%0.228CC..G310 helixtrans-83.5-0.8169.500000113.6M7 Y93 F161 K162M7-G164 WeakPolarHBondContact CB-O 3.02Å; M7-G164 VanDerWaalsContact CG-O 3.29Å; M7-G164 WeakPolarHBondContact CG-O 3.18Å; M7-G164 PolarHBondContact N-O 3.17Å; Y93-G164 WeakPolarHBondContact OH-CA 3.5Å; F161-G164 WeakPolarHBondContact O-CA 3.42Å; F161-G164 PolarHBondContact O-N 3.18Å; K162-G164 PolarHBondContact O-N 2.92Å
165L98.4Very high97Very high9 Ų944.8 Ų44.85%0.04721%0.205CC..EExtended strand (participates in β ladder)trans-114.3146.7-178.4-59.8165000112Y4 K5 M13 F14 Y28 R100 M143 F160 K162 D163Y4-L165 HydrophobicContact CD1-CD1 4.26Å; K5-L165 CarbonylContact O-C 3.56Å; K5-L165 WeakPolarHBondContact O-CA 3.47Å; K5-L165 WeakPolarHBondContact O-CD2 3.42Å; M13-L165 HydrophobicContact CB-CD2 4.03Å; M13-L165 HydrophobicContact CG-CD2 3.67Å; F14-L165 HydrophobicContact CE1-CD1 3.53Å; F14-L165 HydrophobicContact CZ-CD1 3.74Å; Y28-L165 HydrophobicContact CD2-CD1 3.72Å; Y28-L165 HydrophobicContact CE2-CD1 4.17Å; R100-L165 PolarHBondContact NH2-O 2.71Å; M143-L165 HydrophobicContact CE-CD2 3.92Å; M143-L165 HydrophobicContact CE-CG 3.97Å; F160-L165 HydrophobicContact CB-CD1 3.96Å; K162-L165 PolarHBondContact O-N 3.03Å; D163-L165 VanDerWaalsContact C-N 3.26Å
166T97.7Very high97Very high35 Ų3544.9 Ų44.922%0.21520%0.201CC..EExtended strand (participates in β ladder)trans-100.8149.216251.60000109Y4 K5 M7 R100Y4-T166 WeakPolarHBondContact CA-O 3.45Å; K5-T166 PolarHBondContact N-O 2.71Å; K5-T166 PolarHBondContact O-N 2.94Å; K5-T166 PolarHBondContact O-OG1 3.08Å; M7-T166 HydrophobicContact CB-CG2 4.24Å; R100-T166 VanDerWaalsContact NH2-CG2 3.33Å
167Q96.8Very high97Very high115 Ų11548.1 Ų48.154%0.53722%0.215SC..EExtended strand (participates in β ladder)trans-109.4125.4175.9-67.5-179.73000108.9I2 V3 Y4 Y28I2-Q167 HydrophobicContact CG2-CB 3.99Å; I2-Q167 HydrophobicContact CG2-CG 4.26Å; V3-Q167 WeakPolarHBondContact O-CA 3.47Å; Y4-Q167 HydrophobicContact CD1-CG 3.78Å; Y4-Q167 HydrophobicContact CE1-CG 3.64Å; Y28-Q167 PolarHBondContact OH-NE2 2.81Å
168E97.3Very high96.9Very high72 Ų7250.3 Ų50.334%0.33623%0.226SC..EExtended strand (participates in β ladder)trans-114.5126.9173.3-170.4178167.100109.6I2 V3 K5 Y170I2-E168 WeakPolarHBondContact CA-O 3.49Å; V3-E168 PolarHBondContact N-O 2.83Å; V3-E168 PolarHBondContact O-N 2.65Å; K5-E168 VanDerWaalsContact CE-OE2 3.23Å; K5-E168 WeakPolarHBondContact CE-OE2 3.49Å; K5-E168 IonicContact NZ-OE2 3.94Å; K5-E168 PolarHBondContact NZ-OE2 3.26Å; E168-Y170 HydrophobicContact CB-CE2 4.27Å; E168-Y170 HydrophobicContact CG-CE2 3.85Å; E168-Y170 PolarHBondContact OE1-OH 3.22Å; E168-Y170 PolarHBondContact OE2-OH 3.22Å
169K95.5Very high96.7Very high178 Ų17854.5 Ų54.577%0.77424%0.244SC*.EExtended strand (participates in β ladder)trans-100.4125.6-178.6-173.8178.6179.7-179.30110.3
170Y87.9Confident96.5Very high170 Ų17059.1 Ų59.167%0.66726%0.264SS*.  trans-106.60169.1-63.1-92.1000110.8M1 V3 E168M1-Y170 HydrophobicContact CE-CD2 3.97Å; M1-Y170 HydrophobicContact CE-CG 4.15Å; M1-Y170 PolarHBondContact N-O 3.48Å; M1-Y170 PolarHBondContact O-N 2.73Å; V3-Y170 HydrophobicContact CB-CE2 4.1Å; V3-Y170 HydrophobicContact CG2-CD2 3.72Å; V3-Y170 HydrophobicContact CG2-CE2 3.55Å; E168-Y170 HydrophobicContact CB-CE2 4.27Å; E168-Y170 HydrophobicContact CG-CE2 3.85Å; E168-Y170 PolarHBondContact OE1-OH 3.22Å; E168-Y170 PolarHBondContact OE2-OH 3.22Å

Retrieved 170 of 170 residues in 88.5 ms (Link to these results)

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