A0A5K4FEZ5_SCHMA Loading...

DUF4802 domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FEZ5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 178 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
1M52.6Low53.9Low194 Ų194128 Ų12896%0.95658%0.58SS**  0129.30-125.4-166.1-73.100107.8V3M1-V3 PolarHBondContact O-N 3.22Å
2N66.6Low53.6Low103 Ų103125.4 Ų125.455%0.55157%0.572SS**  trans-71.2122.5-175-171.5-19000110.4Q4 E5 H6N2-Q4 PolarHBondContact O-N 3.31Å; N2-Q4 VanDerWaalsContact O-N 3.16Å; N2-Q4 PolarHBondContact OD1-N 3.45Å; N2-E5 HydrophobicContact CB-CB 4.28Å; N2-E5 WeakPolarHBondContact O-CB 3.27Å; N2-E5 PolarHBondContact O-N 3.34Å; N2-H6 PolarHBondContact O-N 3.39Å
3V66.1Low53.7Low103 Ų103117.6 Ų117.662%0.62455%0.547SS*.Hα-helixtrans-55-35.7-176.2177.80000111.7M1 E5 H6 K7M1-V3 PolarHBondContact O-N 3.22Å; V3-E5 VanDerWaalsContact C-N 3.35Å; V3-E5 PolarHBondContact O-N 2.67Å; V3-H6 PolarHBondContact O-N 2.92Å; V3-K7 PolarHBondContact O-N 2.93Å
4Q56.9Low54.2Low128 Ų128119.6 Ų119.660%0.59855%0.553SS**Hα-helixtrans-65-37.3175.7-77.9-164.7-2.200113N2 H6 K7 K8N2-Q4 PolarHBondContact O-N 3.31Å; N2-Q4 VanDerWaalsContact O-N 3.16Å; N2-Q4 PolarHBondContact OD1-N 3.45Å; Q4-H6 VanDerWaalsContact C-N 3.34Å; Q4-K7 PolarHBondContact O-N 3.17Å; Q4-K8 WeakPolarHBondContact O-CB 3.43Å; Q4-K8 WeakPolarHBondContact O-CG 2.92Å; Q4-K8 PolarHBondContact O-N 2.88Å
5E50.9Low54.6Low89 Ų89120.6 Ų120.642%0.41655%0.55SS.*Hα-helixtrans-68.6-38179.7-157.4-172156.400110.7N2 V3 K8 R9N2-E5 HydrophobicContact CB-CB 4.28Å; N2-E5 WeakPolarHBondContact O-CB 3.27Å; N2-E5 PolarHBondContact O-N 3.34Å; V3-E5 VanDerWaalsContact C-N 3.35Å; V3-E5 PolarHBondContact O-N 2.67Å; E5-K8 PolarHBondContact O-N 2.67Å; E5-R9 WeakPolarHBondContact O-CG 3.08Å; E5-R9 PolarHBondContact O-N 2.85Å; E5-R9 IonicContact OE1-CZ 2.7Å; E5-R9 IonicContact OE1-NE 3.58Å; E5-R9 IonicContact OE1-NH2 3.98Å; E5-R9 PolarHBondContact OE1-NH2 2.97Å
6H48Very low54.9Low81 Ų81117.6 Ų117.638%0.37554%0.54SS..Hα-helixtrans-66.8-41.2175.8-153.6-66000112.2N2 V3 Q4 R9 R10N2-H6 PolarHBondContact O-N 3.39Å; V3-H6 PolarHBondContact O-N 2.92Å; Q4-H6 VanDerWaalsContact C-N 3.34Å; H6-R9 PolarHBondContact O-N 3.48Å; H6-R10 PolarHBondContact O-N 2.91Å
7K52.5Low55.1Low152 Ų152116.5 Ų116.566%0.66154%0.538SS*.Hα-helixtrans-62-46172.4-78.8-173.7177.5-178.40111.6V3 Q4 R9 R10 Y11V3-K7 PolarHBondContact O-N 2.93Å; Q4-K7 PolarHBondContact O-N 3.17Å; K7-R9 PolarHBondContact O-N 3.39Å; K7-R10 PolarHBondContact O-N 2.87Å; K7-Y11 WeakPolarHBondContact O-CB 3.42Å; K7-Y11 PolarHBondContact O-N 3.46Å
8K48Very low55.6Low139 Ų139114.4 Ų114.460%0.60453%0.531SS*.Hα-helixtrans-58.7-44.6175.6-77.6178.2180176.30111.8Q4 E5 Y11 M12Q4-K8 WeakPolarHBondContact O-CB 3.43Å; Q4-K8 WeakPolarHBondContact O-CG 2.92Å; Q4-K8 PolarHBondContact O-N 2.88Å; E5-K8 PolarHBondContact O-N 2.67Å; K8-Y11 PolarHBondContact O-N 2.63Å; K8-M12 WeakPolarHBondContact O-CB 3.33Å; K8-M12 VanDerWaalsContact O-CG 3.26Å; K8-M12 WeakPolarHBondContact O-CG 3.44Å; K8-M12 PolarHBondContact O-N 3.04Å
9R45.7Very low56.1Low106 Ų106114.4 Ų114.440%0.453%0.529SS..Hα-helixtrans-61.6-45.6177-74.8-179.8-170.3-165.12.3112.4E5 H6 K7 Y11 M12 G13E5-R9 WeakPolarHBondContact O-CG 3.08Å; E5-R9 PolarHBondContact O-N 2.85Å; E5-R9 IonicContact OE1-CZ 2.7Å; E5-R9 IonicContact OE1-NE 3.58Å; E5-R9 IonicContact OE1-NH2 3.98Å; E5-R9 PolarHBondContact OE1-NH2 2.97Å; H6-R9 PolarHBondContact O-N 3.48Å; K7-R9 PolarHBondContact O-N 3.39Å; R9-Y11 VanDerWaalsContact C-N 3.34Å; R9-Y11 PolarHBondContact O-N 3.45Å; R9-M12 PolarHBondContact O-N 2.86Å; R9-G13 PolarHBondContact O-N 2.72Å
10R51.6Low56.3Low184 Ų184110.4 Ų110.469%0.69451%0.513SS*.Hα-helixtrans-60.7-43.5175.4-75.4-172.5-176.3165.63111.8H6 K7 G13 K14H6-R10 PolarHBondContact O-N 2.91Å; K7-R10 PolarHBondContact O-N 2.87Å; R10-G13 PolarHBondContact O-N 3.39Å; R10-K14 PolarHBondContact O-N 3.03Å
11Y53.9Low56.6Low129 Ų129110.3 Ų110.351%0.50651%0.513SS..Hα-helixtrans-65.8-41.6179.8-172.5-110.4000112.6K7 K8 R9 K14 R15K7-Y11 WeakPolarHBondContact O-CB 3.42Å; K7-Y11 PolarHBondContact O-N 3.46Å; K8-Y11 PolarHBondContact O-N 2.63Å; R9-Y11 VanDerWaalsContact C-N 3.34Å; R9-Y11 PolarHBondContact O-N 3.45Å; Y11-K14 PolarHBondContact O-N 3.2Å; Y11-R15 VanDerWaalsContact CE1-NH2 3.28Å; Y11-R15 PolarHBondContact O-N 2.86Å; Y11-R15 PolarHBondContact OH-NE 3.06Å; Y11-R15 PolarHBondContact OH-NH2 3.29Å
12M50.4Low57.3Low97 Ų97107.4 Ų107.448%0.47850%0.495SS..Hα-helixtrans-64.8-39.5173-69.1-61-66.400111.8K8 R9 K14 R15 N16K8-M12 WeakPolarHBondContact O-CB 3.33Å; K8-M12 VanDerWaalsContact O-CG 3.26Å; K8-M12 WeakPolarHBondContact O-CG 3.44Å; K8-M12 PolarHBondContact O-N 3.04Å; R9-M12 PolarHBondContact O-N 2.86Å; M12-K14 VanDerWaalsContact C-N 3.34Å; M12-K14 PolarHBondContact O-N 3.44Å; M12-R15 PolarHBondContact O-N 3.48Å; M12-N16 WeakPolarHBondContact O-CB 3.01Å; M12-N16 VanDerWaalsContact O-CG 3.29Å; M12-N16 PolarHBondContact O-N 3.28Å; M12-N16 PolarHBondContact O-OD1 2.77Å
13G55.3Low57.1Low24 Ų24103.3 Ų103.325%0.24747%0.473CS..Hα-helixtrans-57.6-46.117300000111.9R9 R10 N16 L17R9-G13 PolarHBondContact O-N 2.72Å; R10-G13 PolarHBondContact O-N 3.39Å; G13-N16 PolarHBondContact O-N 2.89Å; G13-L17 WeakPolarHBondContact O-CB 3.45Å; G13-L17 PolarHBondContact O-N 3.16Å
14K60.4Low57Low145 Ų145100.1 Ų100.163%0.6346%0.455SS*.Hα-helixtrans-64.6-42178-158.8171.3-172.9178.30112.4R10 Y11 M12 L17 I18R10-K14 PolarHBondContact O-N 3.03Å; Y11-K14 PolarHBondContact O-N 3.2Å; M12-K14 VanDerWaalsContact C-N 3.34Å; M12-K14 PolarHBondContact O-N 3.44Å; K14-L17 PolarHBondContact O-N 2.78Å; K14-I18 HydrophobicContact CG-CD1 4.35Å; K14-I18 VanDerWaalsContact O-CG1 3.27Å; K14-I18 WeakPolarHBondContact O-CG1 3.45Å; K14-I18 PolarHBondContact O-N 3.38Å
15R59.6Low57.5Low135 Ų135101 Ų10151%0.50946%0.459SS..Hα-helixtrans-63.9-43.3174.6-77.9-175.9173.2175.6-4.3112.5Y11 M12 L17 I18 F19Y11-R15 VanDerWaalsContact CE1-NH2 3.28Å; Y11-R15 PolarHBondContact O-N 2.86Å; Y11-R15 PolarHBondContact OH-NE 3.06Å; Y11-R15 PolarHBondContact OH-NH2 3.29Å; M12-R15 PolarHBondContact O-N 3.48Å; R15-L17 VanDerWaalsContact C-N 3.32Å; R15-L17 PolarHBondContact O-N 3.18Å; R15-I18 PolarHBondContact O-N 2.73Å; R15-F19 WeakPolarHBondContact O-CB 3.49Å; R15-F19 PolarHBondContact O-N 2.8Å
16N59.9Low58.1Low73 Ų73100.9 Ų100.939%0.3947%0.465SS..Hα-helixtrans-63.1-41.8176.6-74.1-1.1000110.8M12 G13 F19 T20M12-N16 WeakPolarHBondContact O-CB 3.01Å; M12-N16 VanDerWaalsContact O-CG 3.29Å; M12-N16 PolarHBondContact O-N 3.28Å; M12-N16 PolarHBondContact O-OD1 2.77Å; G13-N16 PolarHBondContact O-N 2.89Å; N16-F19 PolarHBondContact O-N 2.85Å; N16-T20 WeakPolarHBondContact O-CB 3.49Å; N16-T20 PolarHBondContact O-N 2.75Å; N16-T20 PolarHBondContact O-OG1 3.39Å
17L58.1Low58.8Low98 Ų9897.1 Ų97.151%0.51345%0.447SS..Hα-helixtrans-59.7-49.4175.8-167.173.9000111.4G13 K14 R15 F19 T20 Q21G13-L17 WeakPolarHBondContact O-CB 3.45Å; G13-L17 PolarHBondContact O-N 3.16Å; K14-L17 PolarHBondContact O-N 2.78Å; R15-L17 VanDerWaalsContact C-N 3.32Å; R15-L17 PolarHBondContact O-N 3.18Å; L17-F19 VanDerWaalsContact C-N 3.34Å; L17-F19 PolarHBondContact O-N 3.35Å; L17-T20 PolarHBondContact O-N 3.16Å; L17-Q21 WeakPolarHBondContact O-CB 3.34Å; L17-Q21 WeakPolarHBondContact O-CG 3.09Å; L17-Q21 PolarHBondContact O-N 3.38Å
18I64.6Low59.4Low79 Ų7996.5 Ų96.541%0.40545%0.445SS..Hα-helixtrans-60.6-43.8177.7-67.1164.4000111.1K14 R15 T20 Q21 K22K14-I18 HydrophobicContact CG-CD1 4.35Å; K14-I18 VanDerWaalsContact O-CG1 3.27Å; K14-I18 WeakPolarHBondContact O-CG1 3.45Å; K14-I18 PolarHBondContact O-N 3.38Å; R15-I18 PolarHBondContact O-N 2.73Å; I18-T20 VanDerWaalsContact C-N 3.32Å; I18-T20 PolarHBondContact O-N 3.29Å; I18-Q21 PolarHBondContact O-N 3.06Å; I18-K22 WeakPolarHBondContact O-CG 3.36Å; I18-K22 PolarHBondContact O-N 2.86Å
19F65.6Low60.3Low114 Ų11496.9 Ų96.950%0.545%0.453SS..Hα-helixtrans-60-45.3177.4176.7-103.6000111R15 N16 L17 K22 I23R15-F19 WeakPolarHBondContact O-CB 3.49Å; R15-F19 PolarHBondContact O-N 2.8Å; N16-F19 PolarHBondContact O-N 2.85Å; L17-F19 VanDerWaalsContact C-N 3.34Å; L17-F19 PolarHBondContact O-N 3.35Å; F19-K22 PolarHBondContact O-N 3.31Å; F19-I23 HydrophobicContact CD1-CD1 4Å; F19-I23 HydrophobicContact CD2-CD1 4.48Å; F19-I23 HydrophobicContact CE1-CD1 3.33Å; F19-I23 HydrophobicContact CE1-CG1 4.38Å; F19-I23 HydrophobicContact CE2-CD1 3.88Å; F19-I23 HydrophobicContact CE2-CG1 4.42Å; F19-I23 HydrophobicContact CZ-CD1 3.28Å; F19-I23 HydrophobicContact CZ-CG1 4.26Å; F19-I23 WeakPolarHBondContact O-CG1 3.36Å; F19-I23 PolarHBondContact O-N 3.02Å
20T60Low61.1Low34 Ų3494.6 Ų94.621%0.20945%0.451CS..Hα-helixtrans-70.8-36.2-178-32.50000111.3N16 L17 I18 I23 C24 L40N16-T20 WeakPolarHBondContact O-CB 3.49Å; N16-T20 PolarHBondContact O-N 2.75Å; N16-T20 PolarHBondContact O-OG1 3.39Å; L17-T20 PolarHBondContact O-N 3.16Å; I18-T20 VanDerWaalsContact C-N 3.32Å; I18-T20 PolarHBondContact O-N 3.29Å; T20-I23 PolarHBondContact O-N 3.46Å; T20-C24 WeakPolarHBondContact O-CB 3.36Å; T20-C24 PolarHBondContact O-N 2.99Å; T20-L40 HydrophobicContact CG2-CD1 3.89Å; T20-L40 HydrophobicContact CG2-CD2 3.17Å; T20-L40 HydrophobicContact CG2-CG 3.37Å
21Q61.6Low61.5Low110 Ų11090.2 Ų90.251%0.51445%0.454SS..Hα-helixtrans-61.5-46.2170.8-78.8-179.7-28.400112.6L17 I18 I23 C24 Q25L17-Q21 WeakPolarHBondContact O-CB 3.34Å; L17-Q21 WeakPolarHBondContact O-CG 3.09Å; L17-Q21 PolarHBondContact O-N 3.38Å; I18-Q21 PolarHBondContact O-N 3.06Å; Q21-I23 PolarHBondContact O-N 3.02Å; Q21-C24 WeakPolarHBondContact O-CB 3.43Å; Q21-C24 PolarHBondContact O-N 2.81Å; Q21-C24 VanDerWaalsContact O-N 3.17Å; Q21-Q25 WeakPolarHBondContact O-CG 3.34Å; Q21-Q25 PolarHBondContact O-N 2.82Å
22K67.1Low61.7Low132 Ų13286.6 Ų86.657%0.57444%0.443SS*.Hα-helixtrans-60-45.8176.6-79.3-172.3176.1-168.90111.5I18 F19 C24 Q25 V26I18-K22 WeakPolarHBondContact O-CG 3.36Å; I18-K22 PolarHBondContact O-N 2.86Å; F19-K22 PolarHBondContact O-N 3.31Å; K22-C24 VanDerWaalsContact C-N 3.3Å; K22-C24 PolarHBondContact O-N 3.25Å; K22-Q25 PolarHBondContact O-N 3.45Å; K22-V26 VanDerWaalsContact O-CG2 3.3Å; K22-V26 WeakPolarHBondContact O-CG2 3.46Å; K22-V26 PolarHBondContact O-N 2.87Å
23I63.5Low62.1Low18 Ų1883.2 Ų83.29%0.09243%0.429CS..Hα-helixtrans-61.6-42.5175.6-72.7-172.5000110.8F19 T20 Q21 Q25 V26 T27 H36F19-I23 HydrophobicContact CD1-CD1 4Å; F19-I23 HydrophobicContact CD2-CD1 4.48Å; F19-I23 HydrophobicContact CE1-CD1 3.33Å; F19-I23 HydrophobicContact CE1-CG1 4.38Å; F19-I23 HydrophobicContact CE2-CD1 3.88Å; F19-I23 HydrophobicContact CE2-CG1 4.42Å; F19-I23 HydrophobicContact CZ-CD1 3.28Å; F19-I23 HydrophobicContact CZ-CG1 4.26Å; F19-I23 WeakPolarHBondContact O-CG1 3.36Å; F19-I23 PolarHBondContact O-N 3.02Å; T20-I23 PolarHBondContact O-N 3.46Å; Q21-I23 PolarHBondContact O-N 3.02Å; I23-Q25 VanDerWaalsContact C-N 3.29Å; I23-Q25 PolarHBondContact O-N 3.39Å; I23-V26 PolarHBondContact O-N 3.34Å; I23-T27 HydrophobicContact CG2-CG2 4.15Å; I23-T27 WeakPolarHBondContact O-CB 3.34Å; I23-T27 WeakPolarHBondContact O-CG2 3.19Å; I23-T27 PolarHBondContact O-N 2.91Å; I23-T27 PolarHBondContact O-OG1 3.37Å; I23-H36 HydrophobicContact CG2-CB 4.4Å; I23-H36 WeakPolarHBondContact CG2-CD2 3.26Å; I23-H36 VanDerWaalsContact CG2-NE2 3.32Å; I23-H36 WeakPolarHBondContact CG2-NE2 3.49Å
24C63.3Low62Low36 Ų3689.3 Ų89.324%0.24345%0.451CS..Hα-helixtrans-60-40.4177.3-131.10000112.2T20 Q21 K22 K28 L40T20-C24 WeakPolarHBondContact O-CB 3.36Å; T20-C24 PolarHBondContact O-N 2.99Å; Q21-C24 WeakPolarHBondContact O-CB 3.43Å; Q21-C24 PolarHBondContact O-N 2.81Å; Q21-C24 VanDerWaalsContact O-N 3.17Å; K22-C24 VanDerWaalsContact C-N 3.3Å; K22-C24 PolarHBondContact O-N 3.25Å; C24-K28 WeakPolarHBondContact O-CB 3.33Å; C24-K28 PolarHBondContact O-N 3.35Å; C24-L40 HydrophobicContact CB-CD1 3.94Å; C24-L40 WeakPolarHBondContact SG-CD1 3.45Å
25Q67.1Low61.7Low146 Ų14690.4 Ų90.468%0.68245%0.452SS*.Hα-helixtrans-66.9-47.2175.8-75.4176.4-15.700111.9Q21 K22 I23 T27 K28Q21-Q25 WeakPolarHBondContact O-CG 3.34Å; Q21-Q25 PolarHBondContact O-N 2.82Å; K22-Q25 PolarHBondContact O-N 3.45Å; I23-Q25 VanDerWaalsContact C-N 3.29Å; I23-Q25 PolarHBondContact O-N 3.39Å; Q25-T27 VanDerWaalsContact C-N 3.31Å; Q25-T27 PolarHBondContact O-N 3.01Å; Q25-K28 VanDerWaalsContact O-CB 3.27Å; Q25-K28 WeakPolarHBondContact O-CB 3.1Å; Q25-K28 PolarHBondContact O-N 3.43Å
26V64.6Low61.6Low87 Ų8784.8 Ų84.853%0.52743%0.432SS..Hα-helixtrans-67.9-33.8-178.2173.70000111.8K22 I23 F173K22-V26 VanDerWaalsContact O-CG2 3.3Å; K22-V26 WeakPolarHBondContact O-CG2 3.46Å; K22-V26 PolarHBondContact O-N 2.87Å; I23-V26 PolarHBondContact O-N 3.34Å; V26-F173 HydrophobicContact CG1-CZ 4.25Å
27T62.8Low61.5Low1 Ų185.1 Ų85.11%0.00643%0.434CS..Hα-helixtrans-92.3-2.6-179.3610000113I23 Q25 D29 T30 L32 S33 F173I23-T27 HydrophobicContact CG2-CG2 4.15Å; I23-T27 WeakPolarHBondContact O-CB 3.34Å; I23-T27 WeakPolarHBondContact O-CG2 3.19Å; I23-T27 PolarHBondContact O-N 2.91Å; I23-T27 PolarHBondContact O-OG1 3.37Å; Q25-T27 VanDerWaalsContact C-N 3.31Å; Q25-T27 PolarHBondContact O-N 3.01Å; T27-D29 PolarHBondContact O-N 2.88Å; T27-T30 WeakPolarHBondContact CA-OG1 3.1Å; T27-T30 WeakPolarHBondContact O-CB 3.29Å; T27-T30 PolarHBondContact O-N 3.35Å; T27-T30 PolarHBondContact O-OG1 2.89Å; T27-L32 HydrophobicContact CG2-CB 3.96Å; T27-L32 HydrophobicContact CG2-CD1 4.39Å; T27-S33 WeakPolarHBondContact O-CA 3.45Å; T27-S33 WeakPolarHBondContact O-CB 3.5Å; T27-S33 PolarHBondContact O-N 3.46Å; T27-F173 HydrophobicContact CG2-CE1 4.44Å; T27-F173 HydrophobicContact CG2-CZ 3.95Å
28K65Low61.6Low140 Ų14087 Ų8761%0.60943%0.434SS*.THydrogen-bonded Turntrans-54.1134.2176.6-159.2-175.5174.2-170.30109.3C24 Q25 T30C24-K28 WeakPolarHBondContact O-CB 3.33Å; C24-K28 PolarHBondContact O-N 3.35Å; Q25-K28 VanDerWaalsContact O-CB 3.27Å; Q25-K28 WeakPolarHBondContact O-CB 3.1Å; Q25-K28 PolarHBondContact O-N 3.43Å; K28-T30 PolarHBondContact O-N 3.22Å
29D65.9Low61.3Low147 Ų14785.5 Ų85.579%0.78643%0.427SS*.THydrogen-bonded Turntrans64.62.2179.8-44.3-44.6000115.7T27T27-D29 PolarHBondContact O-N 2.88Å
30T62.2Low61.1Low57 Ų5782.5 Ų82.535%0.3542%0.415SS..SBendtrans-88.8160.5166.574.10000110.3T27 K28 L32 S33T27-T30 WeakPolarHBondContact CA-OG1 3.1Å; T27-T30 WeakPolarHBondContact O-CB 3.29Å; T27-T30 PolarHBondContact O-N 3.35Å; T27-T30 PolarHBondContact O-OG1 2.89Å; K28-T30 PolarHBondContact O-N 3.22Å; T30-L32 PolarHBondContact O-N 3.5Å; T30-L32 WeakPolarHBondContact OG1-CB 3.28Å; T30-L32 PolarHBondContact OG1-N 2.97Å; T30-S33 VanDerWaalsContact O-CB 3.26Å; T30-S33 WeakPolarHBondContact O-CB 3.13Å; T30-S33 PolarHBondContact O-N 2.99Å; T30-S33 PolarHBondContact O-OG 3.34Å; T30-S33 PolarHBondContact OG1-N 3.29Å
31A59.9Low61.2Low93 Ų9386.9 Ų86.977%0.76943%0.429SS*.Hα-helixtrans-56.7-21.7169.500000112.7S33A31-S33 VanDerWaalsContact C-N 3.32Å
32L58.2Low61Low53 Ų5383.7 Ų83.728%0.27741%0.414SS..Hα-helixtrans-74.2-20.3174.6-59.7174.3000112.8T27 T30 H34 Y35 H36 F173T27-L32 HydrophobicContact CG2-CB 3.96Å; T27-L32 HydrophobicContact CG2-CD1 4.39Å; T30-L32 PolarHBondContact O-N 3.5Å; T30-L32 WeakPolarHBondContact OG1-CB 3.28Å; T30-L32 PolarHBondContact OG1-N 2.97Å; L32-H34 PolarHBondContact O-N 2.9Å; L32-Y35 PolarHBondContact O-N 2.89Å; L32-H36 WeakPolarHBondContact O-CB 3.34Å; L32-H36 PolarHBondContact O-N 3.43Å; L32-H36 PolarHBondContact O-ND1 3.47Å; L32-F173 HydrophobicContact CD1-CD2 4.09Å; L32-F173 HydrophobicContact CD1-CE2 4.23Å; L32-F173 HydrophobicContact CD1-CG 4.3Å
33S58.8Low60.6Low26 Ų2680.6 Ų80.618%0.18240%0.401CS..Hα-helixtrans-55-40.7174.366.30000110.3T27 T30 A31 Y35 H36 N37T27-S33 WeakPolarHBondContact O-CA 3.45Å; T27-S33 WeakPolarHBondContact O-CB 3.5Å; T27-S33 PolarHBondContact O-N 3.46Å; T30-S33 VanDerWaalsContact O-CB 3.26Å; T30-S33 WeakPolarHBondContact O-CB 3.13Å; T30-S33 PolarHBondContact O-N 2.99Å; T30-S33 PolarHBondContact O-OG 3.34Å; T30-S33 PolarHBondContact OG1-N 3.29Å; A31-S33 VanDerWaalsContact C-N 3.32Å; S33-Y35 PolarHBondContact O-N 2.62Å; S33-H36 PolarHBondContact O-N 3.41Å; S33-N37 WeakPolarHBondContact O-CA 3.27Å; S33-N37 WeakPolarHBondContact O-CB 3.48Å; S33-N37 PolarHBondContact O-N 3.22Å; S33-N37 PolarHBondContact O-ND2 2.87Å
34H53.9Low60.5Low151 Ų15183.5 Ų83.570%0.69942%0.423SS*.Hα-helixtrans-69.1-37.7-177.8-142-65.2000112.1L32 R38L32-H34 PolarHBondContact O-N 2.9Å; H34-R38 WeakPolarHBondContact O-CB 3.3Å; H34-R38 PolarHBondContact O-N 2.92Å
35Y54.3Low60.3Low168 Ų16887.4 Ų87.466%0.65944%0.436SS*.Hα-helixtrans-70-41.2175.1-107.8-84.7000112L32 S33 R38 L39L32-Y35 PolarHBondContact O-N 2.89Å; S33-Y35 PolarHBondContact O-N 2.62Å; Y35-R38 PolarHBondContact O-N 2.89Å; Y35-L39 PolarHBondContact O-N 3.34Å
36H57.2Low59.9Low17 Ų1781.8 Ų81.88%0.07941%0.41CS..Hα-helixtrans-73.6-37.5178.4-74.792.7000112.4I23 L32 S33 R38 L39 L40I23-H36 HydrophobicContact CG2-CB 4.4Å; I23-H36 WeakPolarHBondContact CG2-CD2 3.26Å; I23-H36 VanDerWaalsContact CG2-NE2 3.32Å; I23-H36 WeakPolarHBondContact CG2-NE2 3.49Å; L32-H36 WeakPolarHBondContact O-CB 3.34Å; L32-H36 PolarHBondContact O-N 3.43Å; L32-H36 PolarHBondContact O-ND1 3.47Å; S33-H36 PolarHBondContact O-N 3.41Å; H36-R38 VanDerWaalsContact C-N 3.27Å; H36-R38 PolarHBondContact O-N 2.9Å; H36-L39 CarbonylContact O-C 3.6Å; H36-L39 VanDerWaalsContact O-CB 3.29Å; H36-L39 WeakPolarHBondContact O-CB 3.43Å; H36-L39 PolarHBondContact O-N 2.84Å; H36-L39 VanDerWaalsContact O-N 3.16Å; H36-L40 WeakPolarHBondContact O-CB 3.05Å; H36-L40 PolarHBondContact O-N 3.1Å
37N57Low59.4Low81 Ų8186.3 Ų86.343%0.43342%0.422SS..Hα-helixtrans-60.7-40170.9-75.6-18.7000110S33 Y41S33-N37 WeakPolarHBondContact O-CA 3.27Å; S33-N37 WeakPolarHBondContact O-CB 3.48Å; S33-N37 PolarHBondContact O-N 3.22Å; S33-N37 PolarHBondContact O-ND2 2.87Å; N37-Y41 WeakPolarHBondContact O-CA 3.5Å; N37-Y41 WeakPolarHBondContact O-CB 3.4Å; N37-Y41 PolarHBondContact O-N 3.31Å
38R60.1Low58.8Low137 Ų13793.9 Ų93.952%0.51746%0.458SS..Hα-helixtrans-63.1-47.6172.1-169.8176.1-178.2-174.72111.6H34 Y35 H36 L40 Y41 E42H34-R38 WeakPolarHBondContact O-CB 3.3Å; H34-R38 PolarHBondContact O-N 2.92Å; Y35-R38 PolarHBondContact O-N 2.89Å; H36-R38 VanDerWaalsContact C-N 3.27Å; H36-R38 PolarHBondContact O-N 2.9Å; R38-L40 PolarHBondContact O-N 2.71Å; R38-Y41 PolarHBondContact O-N 3.38Å; R38-E42 HydrophobicContact CG-CG 4.08Å; R38-E42 VanDerWaalsContact O-CB 3.28Å; R38-E42 WeakPolarHBondContact O-CB 3.34Å; R38-E42 WeakPolarHBondContact O-CG 3.45Å; R38-E42 PolarHBondContact O-N 2.82Å
39L59.1Low58.4Low48 Ų4889.8 Ų89.825%0.25145%0.446SS..Hα-helixtrans-53.8-52.3175.9-113.8146.4000112Y35 H36 F43 F66Y35-L39 PolarHBondContact O-N 3.34Å; H36-L39 CarbonylContact O-C 3.6Å; H36-L39 VanDerWaalsContact O-CB 3.29Å; H36-L39 WeakPolarHBondContact O-CB 3.43Å; H36-L39 PolarHBondContact O-N 2.84Å; H36-L39 VanDerWaalsContact O-N 3.16Å; L39-F43 HydrophobicContact CD2-CD2 3.91Å; L39-F43 HydrophobicContact CD2-CE2 3.5Å; L39-F43 VanDerWaalsContact CD2-CE2 3.5Å; L39-F43 WeakPolarHBondContact O-CB 3.28Å; L39-F43 WeakPolarHBondContact O-CD2 3.32Å; L39-F43 PolarHBondContact O-N 3.28Å; L39-F66 HydrophobicContact CB-CE2 4.38Å; L39-F66 HydrophobicContact CB-CZ 4.36Å; L39-F66 HydrophobicContact CD1-CE2 4.37Å; L39-F66 HydrophobicContact CD2-CE1 4.35Å; L39-F66 HydrophobicContact CD2-CE2 3.64Å; L39-F66 HydrophobicContact CD2-CZ 3.24Å; L39-F66 HydrophobicContact CG-CE2 3.44Å; L39-F66 VanDerWaalsContact CG-CE2 3.44Å; L39-F66 HydrophobicContact CG-CZ 3.55Å
40L60.6Low58.3Low51 Ų5188.5 Ų88.527%0.26744%0.436SS..Hα-helixtrans-64.1-45177.6-90.1162.1000112.7T20 C24 H36 R38 F43 S44T20-L40 HydrophobicContact CG2-CD1 3.89Å; T20-L40 HydrophobicContact CG2-CD2 3.17Å; T20-L40 HydrophobicContact CG2-CG 3.37Å; C24-L40 HydrophobicContact CB-CD1 3.94Å; C24-L40 WeakPolarHBondContact SG-CD1 3.45Å; H36-L40 WeakPolarHBondContact O-CB 3.05Å; H36-L40 PolarHBondContact O-N 3.1Å; R38-L40 PolarHBondContact O-N 2.71Å; L40-F43 CarbonylContact O-C 3.6Å; L40-F43 PolarHBondContact O-N 2.69Å; L40-S44 WeakPolarHBondContact O-CB 3.15Å; L40-S44 PolarHBondContact O-N 3.33Å
41Y62.5Low58.4Low126 Ų12686.8 Ų86.849%0.49443%0.425SS..Hα-helixtrans-62.9-45.8178.9177.6-106.7000110.8N37 R38 S44 K45N37-Y41 WeakPolarHBondContact O-CA 3.5Å; N37-Y41 WeakPolarHBondContact O-CB 3.4Å; N37-Y41 PolarHBondContact O-N 3.31Å; R38-Y41 PolarHBondContact O-N 3.38Å; Y41-S44 WeakPolarHBondContact CA-OG 3.47Å; Y41-S44 PolarHBondContact O-N 3.34Å; Y41-S44 VanDerWaalsContact O-N 3.16Å; Y41-S44 PolarHBondContact O-OG 3.47Å; Y41-K45 HydrophobicContact CD1-CD 4.17Å; Y41-K45 HydrophobicContact CE1-CD 3.71Å; Y41-K45 HydrophobicContact CE1-CG 4.44Å; Y41-K45 VanDerWaalsContact CZ-NZ 3.34Å; Y41-K45 PolarHBondContact O-N 2.8Å; Y41-K45 WeakPolarHBondContact OH-CE 3.39Å; Y41-K45 PolarHBondContact OH-NZ 3.49Å
42E58.3Low58.8Low43 Ų4385.3 Ų85.320%0.20140%0.404CS..Hα-helixtrans-66.4-40.2175.3-64.5-71.1-177.400110.9R38 S44 K45 I46 F66R38-E42 HydrophobicContact CG-CG 4.08Å; R38-E42 VanDerWaalsContact O-CB 3.28Å; R38-E42 WeakPolarHBondContact O-CB 3.34Å; R38-E42 WeakPolarHBondContact O-CG 3.45Å; R38-E42 PolarHBondContact O-N 2.82Å; E42-S44 VanDerWaalsContact C-N 3.28Å; E42-S44 PolarHBondContact O-N 3.5Å; E42-K45 PolarHBondContact O-N 2.91Å; E42-I46 WeakPolarHBondContact O-CB 3.2Å; E42-I46 WeakPolarHBondContact O-CD1 3.14Å; E42-I46 WeakPolarHBondContact O-CG1 3.07Å; E42-I46 PolarHBondContact O-N 3.48Å; E42-F66 HydrophobicContact CB-CB 4.17Å; E42-F66 HydrophobicContact CB-CD1 3.25Å; E42-F66 HydrophobicContact CB-CE1 3.83Å; E42-F66 HydrophobicContact CB-CG 3.75Å; E42-F66 HydrophobicContact CG-CB 3.81Å; E42-F66 HydrophobicContact CG-CD1 3.85Å; E42-F66 HydrophobicContact CG-CG 3.79Å
43F59.1Low59.5Low66 Ų6688.3 Ų88.329%0.28941%0.414SS..Hα-helixtrans-64-31171.7-87.5-60000113.3L39 L40 I46 L52 L63 F66L39-F43 HydrophobicContact CD2-CD2 3.91Å; L39-F43 HydrophobicContact CD2-CE2 3.5Å; L39-F43 VanDerWaalsContact CD2-CE2 3.5Å; L39-F43 WeakPolarHBondContact O-CB 3.28Å; L39-F43 WeakPolarHBondContact O-CD2 3.32Å; L39-F43 PolarHBondContact O-N 3.28Å; L40-F43 CarbonylContact O-C 3.6Å; L40-F43 PolarHBondContact O-N 2.69Å; F43-I46 CarbonylContact O-C 3.57Å; F43-L52 HydrophobicContact CE1-CD1 4.47Å; F43-L52 HydrophobicContact CE1-CD2 4.31Å; F43-L63 HydrophobicContact CE1-CD2 4.02Å; F43-L63 HydrophobicContact CZ-CD2 4.27Å; F43-F66 HydrophobicContact CD2-CE1 4.22Å; F43-F66 HydrophobicContact CD2-CZ 4.32Å; F43-F66 HydrophobicContact CE2-CE1 4.1Å; F43-F66 AromaticContact CE2-CZ 3.96Å; F43-F66 HydrophobicContact CE2-CZ 3.96Å; F43-F66 HydrophobicContact CZ-CE1 4.39Å; F43-F66 HydrophobicContact CZ-CZ 4.46Å
44S60.2Low60.3Low80 Ų8092 Ų9256%0.55943%0.427SS*.Hα-helixtrans-74.7-37.4175.776.70000111.7L40 Y41 E42L40-S44 WeakPolarHBondContact O-CB 3.15Å; L40-S44 PolarHBondContact O-N 3.33Å; Y41-S44 WeakPolarHBondContact CA-OG 3.47Å; Y41-S44 PolarHBondContact O-N 3.34Å; Y41-S44 VanDerWaalsContact O-N 3.16Å; Y41-S44 PolarHBondContact O-OG 3.47Å; E42-S44 VanDerWaalsContact C-N 3.28Å; E42-S44 PolarHBondContact O-N 3.5Å
45K59.8Low61.4Low118 Ų11886.2 Ų86.251%0.51340%0.403SS..Hα-helixtrans-68-41.7174.2-83.4-173.3165174.20112.2Y41 E42 K47Y41-K45 HydrophobicContact CD1-CD 4.17Å; Y41-K45 HydrophobicContact CE1-CD 3.71Å; Y41-K45 HydrophobicContact CE1-CG 4.44Å; Y41-K45 VanDerWaalsContact CZ-NZ 3.34Å; Y41-K45 PolarHBondContact O-N 2.8Å; Y41-K45 WeakPolarHBondContact OH-CE 3.39Å; Y41-K45 PolarHBondContact OH-NZ 3.49Å; E42-K45 PolarHBondContact O-N 2.91Å; K45-K47 PolarHBondContact O-N 3.39Å
46I58.3Low62.7Low28 Ų2878.5 Ų78.514%0.14437%0.374CS..SBendtrans-71.580.6169.9-60.7163.8000106.1E42 F43 E48 V51 V61 F66E42-I46 WeakPolarHBondContact O-CB 3.2Å; E42-I46 WeakPolarHBondContact O-CD1 3.14Å; E42-I46 WeakPolarHBondContact O-CG1 3.07Å; E42-I46 PolarHBondContact O-N 3.48Å; F43-I46 CarbonylContact O-C 3.57Å; I46-E48 PolarHBondContact O-N 3.07Å; I46-V51 HydrophobicContact CG2-CB 3.63Å; I46-V51 HydrophobicContact CG2-CG1 4.46Å; I46-V51 HydrophobicContact CG2-CG2 3.28Å; I46-V61 HydrophobicContact CD1-CB 4.49Å; I46-V61 HydrophobicContact CD1-CG1 4.19Å; I46-F66 HydrophobicContact CD1-CD1 4.47Å
47K54Low63.7Low181 Ų18178 Ų7879%0.78737%0.372SS*.  trans-27.3115.2176.2-74.5-175.6177.7-178.10110K45 C49K45-K47 PolarHBondContact O-N 3.39Å; K47-C49 PolarHBondContact O-N 2.92Å
48E51.4Low64.7Low161 Ų16177.1 Ų77.175%0.75237%0.372SS*.THydrogen-bonded Turntrans-23.8124.2-168.2-63.9177.5147.500114.5I46 E50I46-E48 PolarHBondContact O-N 3.07Å; E48-E50 VanDerWaalsContact C-N 3.26Å; E48-E50 PolarHBondContact O-N 3.31Å
49C54.7Low65.7Low54 Ų5471.9 Ų71.937%0.36535%0.352SS..THydrogen-bonded Turntrans68.2-16.6160.3-69.50000118.5K47 V51 L52 K53K47-C49 PolarHBondContact O-N 2.92Å; C49-V51 PolarHBondContact O-N 3.44Å; C49-L52 CarbonylContact O-C 3.52Å; C49-L52 PolarHBondContact O-N 3.38Å; C49-L52 VanDerWaalsContact O-N 3.1Å; C49-K53 VanDerWaalsContact O-CG 3.28Å; C49-K53 WeakPolarHBondContact O-CG 3.41Å; C49-K53 PolarHBondContact O-N 2.94Å
50E64.6Low66.7Low120 Ų12073.7 Ų73.756%0.56137%0.365SS*.Hα-helixtrans-64.2-41-178-70.8-155.5159.200113.2E48 L52 K53 K54E48-E50 VanDerWaalsContact C-N 3.26Å; E48-E50 PolarHBondContact O-N 3.31Å; E50-L52 VanDerWaalsContact C-N 3.26Å; E50-L52 PolarHBondContact O-N 3.43Å; E50-K53 WeakPolarHBondContact O-CB 3.26Å; E50-K53 PolarHBondContact O-N 3.41Å; E50-K54 PolarHBondContact O-N 3.42Å
51V64.9Low67.6Low21 Ų2172.1 Ų72.113%0.12736%0.357CS..Hα-helixtrans-63-36.4174174.40000110.9I46 C49 K54 R59 L63I46-V51 HydrophobicContact CG2-CB 3.63Å; I46-V51 HydrophobicContact CG2-CG1 4.46Å; I46-V51 HydrophobicContact CG2-CG2 3.28Å; C49-V51 PolarHBondContact O-N 3.44Å; V51-K54 PolarHBondContact O-N 2.89Å; V51-R59 HydrophobicContact CG1-CB 4.13Å; V51-R59 HydrophobicContact CG1-CG 3.81Å; V51-R59 WeakPolarHBondContact O-CG 3.3Å; V51-R59 PolarHBondContact O-NE 2.86Å; V51-L63 HydrophobicContact CG1-CD2 4.26Å
52L67.1Low68.4Low62 Ų6266.1 Ų66.133%0.32533%0.334SS..Hα-helixtrans-71.5-31.5176.7-61.2-177.1000112.8F43 C49 E50 K54 R59 L63F43-L52 HydrophobicContact CE1-CD1 4.47Å; F43-L52 HydrophobicContact CE1-CD2 4.31Å; C49-L52 CarbonylContact O-C 3.52Å; C49-L52 PolarHBondContact O-N 3.38Å; C49-L52 VanDerWaalsContact O-N 3.1Å; E50-L52 VanDerWaalsContact C-N 3.26Å; E50-L52 PolarHBondContact O-N 3.43Å; L52-K54 PolarHBondContact O-N 3.48Å; L52-R59 PolarHBondContact O-NH2 3.04Å; L52-L63 HydrophobicContact CD2-CD1 3.36Å; L52-L63 HydrophobicContact CD2-CD2 4.01Å; L52-L63 HydrophobicContact CD2-CG 4.34Å
53K73.5Confident69.3Low115 Ų11565.5 Ų65.550%0.533%0.332SS..Hα-helixtrans-65.3-30.4173-68.7170.1-164.4169.30111.5C49 E50C49-K53 VanDerWaalsContact O-CG 3.28Å; C49-K53 WeakPolarHBondContact O-CG 3.41Å; C49-K53 PolarHBondContact O-N 2.94Å; E50-K53 WeakPolarHBondContact O-CB 3.26Å; E50-K53 PolarHBondContact O-N 3.41Å
54K75.3Confident70.1Confident104 Ų10469 Ų6945%0.45234%0.343SS..SBendtrans-77.6142.1176.1-67.7178.7-176.2177.20110.6E50 V51 L52 C58 R59E50-K54 PolarHBondContact O-N 3.42Å; V51-K54 PolarHBondContact O-N 2.89Å; L52-K54 PolarHBondContact O-N 3.48Å; K54-C58 HydrophobicContact CB-CB 4.38Å; K54-R59 HydrophobicContact CB-CG 4.39Å; K54-R59 PolarHBondContact O-NE 3.03Å; K54-R59 PolarHBondContact O-NH2 3.31Å; K54-R59 VanDerWaalsContact O-NH2 3.07Å
55P78.2Confident70.9Confident29 Ų2967 Ų6719%0.18833%0.329CS..  trans-63.7151171.927.6-33.3000109.9C57 C58 R59 F109P55-C57 PolarHBondContact O-N 3.06Å; P55-C57 VanDerWaalsContact O-N 3.08Å; P55-C58 HydrophobicContact CG-CB 3.99Å; P55-C58 PolarHBondContact O-N 2.9Å; P55-R59 PolarHBondContact O-N 3.39Å; P55-F109 HydrophobicContact CB-CD1 3.88Å; P55-F109 HydrophobicContact CB-CD2 4.26Å; P55-F109 HydrophobicContact CB-CE1 3.95Å; P55-F109 HydrophobicContact CB-CE2 4.32Å; P55-F109 HydrophobicContact CB-CG 4.05Å; P55-F109 HydrophobicContact CB-CZ 4.18Å; P55-F109 HydrophobicContact CG-CD1 4.06Å; P55-F109 HydrophobicContact CG-CD2 4.17Å; P55-F109 HydrophobicContact CG-CE1 3.61Å; P55-F109 HydrophobicContact CG-CE2 3.74Å; P55-F109 HydrophobicContact CG-CG 4.33Å; P55-F109 HydrophobicContact CG-CZ 3.45Å; P55-F109 VanDerWaalsContact CG-CZ 3.45Å
56P80.7Confident71.6Confident6 Ų662.3 Ų62.34%0.03931%0.308CS..G310 helixtrans-49.3-38.7-176.3-2936.9000114.2C58 R59 F95 E104 S106P56-C58 PolarHBondContact O-N 3.49Å; P56-R59 PolarHBondContact O-N 3.24Å; P56-F95 HydrophobicContact CB-CB 3.55Å; P56-F95 HydrophobicContact CB-CD1 4.18Å; P56-F95 HydrophobicContact CB-CD2 4.27Å; P56-F95 HydrophobicContact CB-CG 3.73Å; P56-F95 WeakPolarHBondContact O-CD2 3.46Å; P56-E104 HydrophobicContact CB-CB 3.96Å; P56-E104 VanDerWaalsContact CB-OE2 3.31Å; P56-E104 WeakPolarHBondContact CB-OE2 3.46Å; P56-E104 HydrophobicContact CG-CB 3.88Å; P56-E104 VanDerWaalsContact CG-OE2 3.29Å; P56-E104 WeakPolarHBondContact CG-OE2 3.26Å; P56-S106 WeakPolarHBondContact CD-OG 3.13Å; P56-S106 WeakPolarHBondContact CG-OG 3.37Å
57C77.8Confident72.5Confident8 Ų865.2 Ų65.25%0.05432%0.321CS..G310 helixtrans-62.5-30.5177.662.10000114.2P55 K74 I76 Q93 F109P55-C57 PolarHBondContact O-N 3.06Å; P55-C57 VanDerWaalsContact O-N 3.08Å; C57-K74 PolarHBondContact O-NZ 3.42Å; C57-I76 HydrophobicContact CB-CD1 3.5Å; C57-I76 HydrophobicContact CB-CG1 3.98Å; C57-Q93 VanDerWaalsContact SG-CD 3.59Å; C57-Q93 PolarHBondContact SG-NE2 2.73Å; C57-Q93 PolarHBondContact SG-OE1 2.84Å; C57-F109 WeakPolarHBondContact SG-CE1 3.48Å
58C78.8Confident73.8Confident62 Ų6260.4 Ų60.442%0.41931%0.31SS..G310 helixtrans-95.60.3-176.9-62.80000112.3K54 P55 P56K54-C58 HydrophobicContact CB-CB 4.38Å; P55-C58 HydrophobicContact CG-CB 3.99Å; P55-C58 PolarHBondContact O-N 2.9Å; P56-C58 PolarHBondContact O-N 3.49Å
59R80.2Confident74.9Confident27 Ų2753.3 Ų53.310%0.10228%0.277CS..  trans-75.1144.5174.4-62.7-179.7-176.4156.9-3.1109.9V51 L52 K54 P55 P56 K74 E104V51-R59 HydrophobicContact CG1-CB 4.13Å; V51-R59 HydrophobicContact CG1-CG 3.81Å; V51-R59 WeakPolarHBondContact O-CG 3.3Å; V51-R59 PolarHBondContact O-NE 2.86Å; L52-R59 PolarHBondContact O-NH2 3.04Å; K54-R59 HydrophobicContact CB-CG 4.39Å; K54-R59 PolarHBondContact O-NE 3.03Å; K54-R59 PolarHBondContact O-NH2 3.31Å; K54-R59 VanDerWaalsContact O-NH2 3.07Å; P55-R59 PolarHBondContact O-N 3.39Å; P56-R59 PolarHBondContact O-N 3.24Å; R59-K74 PolarHBondContact O-NZ 2.87Å; R59-E104 IonicContact CZ-OE2 3.86Å; R59-E104 IonicContact NH1-OE1 2.79Å; R59-E104 IonicContact NH1-OE2 3.56Å; R59-E104 PolarHBondContact NH1-OE2 3.45Å
60T81.3Confident75.9Confident86 Ų8654.3 Ų54.353%0.52828%0.279SS..SBendtrans-93.3-4.117450.60000112.1S68 H69T60-S68 CarbonylContact O-C 3.6Å; T60-S68 WeakPolarHBondContact O-CA 3.36Å; T60-H69 PolarHBondContact O-N 3.44Å
61V79.7Confident76.4Confident17 Ų1755.7 Ų55.710%0.10329%0.288CS..BIsolated β-bridgetrans-137.9144.2-177.4-177.50000110.3I46 H67I46-V61 HydrophobicContact CD1-CB 4.49Å; I46-V61 HydrophobicContact CD1-CG1 4.19Å; V61-H67 CarbonylContact C-O 3.57Å; V61-H67 WeakPolarHBondContact CA-O 3.37Å
62C79.3Confident77Confident0 Ų059.1 Ų59.10%031%0.309CS..  trans-74.6125.3167.6-1670000110.8R64 C65 F66 H67 H69 C100C62-R64 PolarHBondContact O-N 3.29Å; C62-R64 PolarHBondContact SG-N 3.17Å; C62-R64 VanDerWaalsContact SG-N 3.42Å; C62-C65 WeakPolarHBondContact CB-SG 3.48Å; C62-C65 VanDerWaalsContact SG-SG 3.62Å; C62-F66 WeakPolarHBondContact O-CA 3.49Å; C62-F66 PolarHBondContact O-N 3.21Å; C62-H67 PolarHBondContact N-O 2.91Å; C62-H69 WeakPolarHBondContact CA-CE1 3.44Å; C62-H69 WeakPolarHBondContact CB-CE1 3.44Å; C62-H69 WeakPolarHBondContact CB-NE2 3.23Å; C62-H69 PolarHBondContact N-CE1 3.2Å; C62-H69 VanDerWaalsContact N-CE1 3.33Å; C62-H69 PolarHBondContact N-ND1 3.25Å; C62-C100 VanDerWaalsContact SG-SG 3.62Å
63L76.6Confident77.7Confident31 Ų3157.9 Ų57.916%0.16230%0.302CS..THydrogen-bonded Turntrans-72.4-10.6174.9-59.8-176.9000113.8F43 V51 L52 F66F43-L63 HydrophobicContact CE1-CD2 4.02Å; F43-L63 HydrophobicContact CZ-CD2 4.27Å; V51-L63 HydrophobicContact CG1-CD2 4.26Å; L52-L63 HydrophobicContact CD2-CD1 3.36Å; L52-L63 HydrophobicContact CD2-CD2 4.01Å; L52-L63 HydrophobicContact CD2-CG 4.34Å; L63-F66 WeakPolarHBondContact O-CE2 3.32Å; L63-F66 WeakPolarHBondContact O-CZ 3.45Å
64R76.3Confident78.2Confident140 Ų14054.1 Ų54.153%0.52829%0.286SS..THydrogen-bonded Turntrans-93.9-50.4178.1-166.7179.2-171.9-176.70.5112.7C62 A102C62-R64 PolarHBondContact O-N 3.29Å; C62-R64 PolarHBondContact SG-N 3.17Å; C62-R64 VanDerWaalsContact SG-N 3.42Å; R64-A102 HydrophobicContact CB-CB 3.65Å; R64-A102 HydrophobicContact CG-CB 4.22Å
65C76.7Confident78.8Confident37 Ų3751.2 Ų51.225%0.2528%0.276CS..THydrogen-bonded Turntrans-104-1.5-177.866.20000114.5C62 H67 C100C62-C65 WeakPolarHBondContact CB-SG 3.48Å; C62-C65 VanDerWaalsContact SG-SG 3.62Å; C65-H67 PolarHBondContact O-N 3.39Å; C65-C100 HydrophobicContact CB-CB 3.73Å
66F74.3Confident79.1Confident19 Ų1952.9 Ų52.98%0.08328%0.283CS..  trans57.111.5-178.9-59.5-81.5000115L39 E42 F43 I46 C62 L63L39-F66 HydrophobicContact CB-CE2 4.38Å; L39-F66 HydrophobicContact CB-CZ 4.36Å; L39-F66 HydrophobicContact CD1-CE2 4.37Å; L39-F66 HydrophobicContact CD2-CE1 4.35Å; L39-F66 HydrophobicContact CD2-CE2 3.64Å; L39-F66 HydrophobicContact CD2-CZ 3.24Å; L39-F66 HydrophobicContact CG-CE2 3.44Å; L39-F66 VanDerWaalsContact CG-CE2 3.44Å; L39-F66 HydrophobicContact CG-CZ 3.55Å; E42-F66 HydrophobicContact CB-CB 4.17Å; E42-F66 HydrophobicContact CB-CD1 3.25Å; E42-F66 HydrophobicContact CB-CE1 3.83Å; E42-F66 HydrophobicContact CB-CG 3.75Å; E42-F66 HydrophobicContact CG-CB 3.81Å; E42-F66 HydrophobicContact CG-CD1 3.85Å; E42-F66 HydrophobicContact CG-CG 3.79Å; F43-F66 HydrophobicContact CD2-CE1 4.22Å; F43-F66 HydrophobicContact CD2-CZ 4.32Å; F43-F66 HydrophobicContact CE2-CE1 4.1Å; F43-F66 AromaticContact CE2-CZ 3.96Å; F43-F66 HydrophobicContact CE2-CZ 3.96Å; F43-F66 HydrophobicContact CZ-CE1 4.39Å; F43-F66 HydrophobicContact CZ-CZ 4.46Å; I46-F66 HydrophobicContact CD1-CD1 4.47Å; C62-F66 WeakPolarHBondContact O-CA 3.49Å; C62-F66 PolarHBondContact O-N 3.21Å; L63-F66 WeakPolarHBondContact O-CE2 3.32Å; L63-F66 WeakPolarHBondContact O-CZ 3.45Å
67H77.4Confident79.3Confident90 Ų9059.6 Ų59.642%0.41731%0.308SS..PPolyproline II helixtrans-73.2135.5173.6-160.176.5000109.9V61 C62 C65 H69 E73 L99V61-H67 CarbonylContact C-O 3.57Å; V61-H67 WeakPolarHBondContact CA-O 3.37Å; C62-H67 PolarHBondContact N-O 2.91Å; C65-H67 PolarHBondContact O-N 3.39Å; H67-H69 PolarHBondContact O-N 2.98Å; H67-E73 IonicContact CD2-OE2 3.31Å; H67-E73 PolarHBondContact CD2-OE2 3.42Å; H67-E73 VanDerWaalsContact CD2-OE2 3.31Å; H67-E73 IonicContact NE2-OE2 3.68Å; H67-L99 HydrophobicContact CB-CD1 3.89Å; H67-L99 WeakPolarHBondContact CD2-CD1 3.21Å; H67-L99 VanDerWaalsContact CG-CD1 3.46Å
68S80.7Confident79.5Confident79 Ų7961.7 Ų61.755%0.55232%0.318SS*.BIsolated β-bridgetrans-71.5118.1173.8-66.60000108.8T60 E73T60-S68 CarbonylContact O-C 3.6Å; T60-S68 WeakPolarHBondContact O-CA 3.36Å; S68-E73 VanDerWaalsContact O-OE2 3.05Å
69H74.8Confident79.6Confident13 Ų1364.5 Ų64.56%0.0632%0.323CS..PPolyproline II helixtrans-82.3126177.1-64.3138.4000111.5T60 C62 H67 E73 F95 C97T60-H69 PolarHBondContact O-N 3.44Å; C62-H69 WeakPolarHBondContact CA-CE1 3.44Å; C62-H69 WeakPolarHBondContact CB-CE1 3.44Å; C62-H69 WeakPolarHBondContact CB-NE2 3.23Å; C62-H69 PolarHBondContact N-CE1 3.2Å; C62-H69 VanDerWaalsContact N-CE1 3.33Å; C62-H69 PolarHBondContact N-ND1 3.25Å; H67-H69 PolarHBondContact O-N 2.98Å; H69-E73 WeakPolarHBondContact CA-OE2 3.36Å; H69-F95 AromaticContact CE1-CE1 3.94Å; H69-F95 AromaticContact CE1-CZ 3.36Å; H69-F95 WeakPolarHBondContact CE1-CZ 3.08Å; H69-F95 AromaticContact ND1-CZ 3.56Å; H69-C97 PolarHBondContact NE2-SG 3.07Å
70N76.4Confident79.4Confident75 Ų7569.7 Ų69.740%0.40135%0.346SS..  trans-76.9-176.9151.656.927.8000110.7T72 E73N70-T72 VanDerWaalsContact C-N 3.26Å; N70-T72 VanDerWaalsContact CG-OG1 3.29Å; N70-T72 PolarHBondContact ND2-OG1 3.33Å; N70-T72 PolarHBondContact O-N 3.35Å; N70-T72 PolarHBondContact OD1-N 3.45Å; N70-T72 PolarHBondContact OD1-OG1 3.18Å; N70-E73 VanDerWaalsContact CG-CD 3.48Å; N70-E73 PolarHBondContact ND2-OE1 3.46Å; N70-E73 VanDerWaalsContact OD1-CB 3.23Å; N70-E73 WeakPolarHBondContact OD1-CB 3.38Å; N70-E73 WeakPolarHBondContact OD1-CG 3.37Å; N70-E73 PolarHBondContact OD1-N 3.41Å; N70-E73 PolarHBondContact OD1-OE1 3.19Å
71I73.6Confident78.7Confident148 Ų14868.8 Ų68.876%0.75933%0.333SS*.SBendtrans-66.3-30.6179.4-61.4171.3000111.2
72T78.8Confident78.1Confident93 Ų9374.7 Ų74.757%0.57137%0.369SS*.THydrogen-bonded Turntrans-82.9-26.4-172.6530000113.5N70 K74 K98N70-T72 VanDerWaalsContact C-N 3.26Å; N70-T72 VanDerWaalsContact CG-OG1 3.29Å; N70-T72 PolarHBondContact ND2-OG1 3.33Å; N70-T72 PolarHBondContact O-N 3.35Å; N70-T72 PolarHBondContact OD1-N 3.45Å; N70-T72 PolarHBondContact OD1-OG1 3.18Å; T72-K74 VanDerWaalsContact C-N 3.28Å; T72-K74 PolarHBondContact O-N 2.81Å; T72-K98 VanDerWaalsContact O-CD 3.27Å; T72-K98 WeakPolarHBondContact O-CD 3.33Å; T72-K98 WeakPolarHBondContact O-CE 3.27Å; T72-K98 PolarHBondContact O-NZ 3.08Å
73E82.2Confident77.1Confident37 Ų3776.4 Ų76.417%0.17338%0.383CS..THydrogen-bonded Turntrans-81-4-179-75.4161.1-156.700114.5H67 S68 H69 N70 K98 L99H67-E73 IonicContact CD2-OE2 3.31Å; H67-E73 PolarHBondContact CD2-OE2 3.42Å; H67-E73 VanDerWaalsContact CD2-OE2 3.31Å; H67-E73 IonicContact NE2-OE2 3.68Å; S68-E73 VanDerWaalsContact O-OE2 3.05Å; H69-E73 WeakPolarHBondContact CA-OE2 3.36Å; N70-E73 VanDerWaalsContact CG-CD 3.48Å; N70-E73 PolarHBondContact ND2-OE1 3.46Å; N70-E73 VanDerWaalsContact OD1-CB 3.23Å; N70-E73 WeakPolarHBondContact OD1-CB 3.38Å; N70-E73 WeakPolarHBondContact OD1-CG 3.37Å; N70-E73 PolarHBondContact OD1-N 3.41Å; N70-E73 PolarHBondContact OD1-OE1 3.19Å; E73-K98 WeakPolarHBondContact O-CB 3.46Å; E73-K98 WeakPolarHBondContact O-CG 3.44Å; E73-K98 PolarHBondContact O-N 3.14Å; E73-L99 HydrophobicContact CG-CD1 4.38Å; E73-L99 HydrophobicContact CG-CG 4.5Å
74K83.4Confident76.4Confident36 Ų3687 Ų8716%0.15742%0.421CS..EExtended strand (participates in β ladder)trans-116.4144.5174.855.2-174.7168.6-173.50111.9C57 R59 T72 F95 I96C57-K74 PolarHBondContact O-NZ 3.42Å; R59-K74 PolarHBondContact O-NZ 2.87Å; T72-K74 VanDerWaalsContact C-N 3.28Å; T72-K74 PolarHBondContact O-N 2.81Å; K74-F95 HydrophobicContact CB-CD2 4.19Å; K74-F95 HydrophobicContact CB-CE2 3.32Å; K74-F95 HydrophobicContact CB-CZ 3.82Å; K74-F95 HydrophobicContact CD-CD2 4.47Å; K74-F95 HydrophobicContact CD-CE2 3.67Å; K74-F95 HydrophobicContact CG-CE2 4.11Å; K74-I96 WeakPolarHBondContact CA-O 3.46Å
75T86.6Confident75.3Confident42 Ų4290.7 Ų90.726%0.25844%0.435SS..EExtended strand (participates in β ladder)trans-114.5128.9169.4-510000108.7R77 F95 I96 K98T75-R77 HydrophobicContact CG2-CG 4.24Å; T75-F95 CarbonylContact O-C 3.6Å; T75-I96 PolarHBondContact N-O 3.49Å; T75-I96 PolarHBondContact O-N 2.79Å; T75-K98 WeakPolarHBondContact OG1-CE 3.29Å
76I84.8Confident74.4Confident64 Ų64101.6 Ų101.633%0.32847%0.471SS..EExtended strand (participates in β ladder)trans-113.8121.5176.8-62.4161000107.6C57 Q93 V94 F95C57-I76 HydrophobicContact CB-CD1 3.5Å; C57-I76 HydrophobicContact CB-CG1 3.98Å; I76-Q93 HydrophobicContact CG2-CG 3.57Å; I76-V94 WeakPolarHBondContact CA-O 3.16Å; I76-F95 HydrophobicContact CG1-CD2 4.45Å
77R84.9Confident73.3Confident147 Ų147103.2 Ų103.256%0.55549%0.485SS*.EExtended strand (participates in β ladder)trans-116.4132.1175.8-64-176.2177.51790.5109.6T75 V94T75-R77 HydrophobicContact CG2-CG 4.24Å; R77-V94 HydrophobicContact CB-CB 4.35Å; R77-V94 PolarHBondContact N-O 2.91Å; R77-V94 PolarHBondContact O-N 3.07Å
78I82.7Confident72.4Confident52 Ų52103.9 Ų103.927%0.26750%0.499SS..EExtended strand (participates in β ladder)trans-98.8119.7174.5-58.6-142.2000109.1I91 D92 H114I78-I91 HydrophobicContact CG2-CG2 3.18Å; I78-D92 CarbonylContact C-O 3.55Å; I78-D92 WeakPolarHBondContact CA-O 3.46Å; I78-H114 HydrophobicContact CD1-CB 4.07Å; I78-H114 WeakPolarHBondContact CD1-CD2 3.31Å
79K80Confident71.3Confident122 Ų122107.2 Ų107.253%0.5350%0.504SS..EExtended strand (participates in β ladder)trans-112.2127176.9-67.8-171.6177.6-176.10109.4D92 V94K79-D92 HydrophobicContact CB-CB 4.37Å; K79-D92 PolarHBondContact N-O 3.08Å; K79-D92 PolarHBondContact O-N 3Å; K79-V94 HydrophobicContact CD-CG2 3.95Å; K79-V94 HydrophobicContact CG-CG2 4.24Å
80K76.2Confident71Confident135 Ų135110.8 Ų110.859%0.58752%0.521SS*.EExtended strand (participates in β ladder)trans-75.7127.2166.7-68.7-175.3179-177.60108.3
81R67.9Low70.9Confident67 Ų67109 Ų10925%0.25351%0.511SS..  trans-74.7135.2162.6-71.2-174.9-174.8174.43.5108.8A83 Q90 D92R81-A83 VanDerWaalsContact C-N 3.33Å; R81-A83 PolarHBondContact O-N 2.88Å; R81-A83 VanDerWaalsContact O-N 3.07Å; R81-Q90 HydrophobicContact CB-CB 4.22Å; R81-Q90 WeakPolarHBondContact CB-O 3.47Å; R81-Q90 PolarHBondContact N-O 3.03Å; R81-D92 IonicContact CZ-OD1 3.09Å; R81-D92 IonicContact CZ-OD2 3.21Å; R81-D92 IonicContact NE-OD1 2.99Å; R81-D92 PolarHBondContact NE-OD1 3.22Å; R81-D92 IonicContact NE-OD2 2.71Å; R81-D92 PolarHBondContact NE-OD2 3.16Å; R81-D92 IonicContact NH2-OD1 2.79Å; R81-D92 PolarHBondContact NH2-OD1 3.29Å; R81-D92 IonicContact NH2-OD2 2.81Å; R81-D92 PolarHBondContact NH2-OD2 2.91Å
82V65.5Low71.3Confident141 Ų141102.9 Ų102.986%0.85548%0.48SS*.  trans-72.498.4160.7-176.10000105.7R84V82-R84 PolarHBondContact O-N 3.48Å
83A58.5Low71.5Confident36 Ų3698.5 Ų98.530%0.29845%0.453SS..  trans-68.2124170.800000107.6R81 R85R81-A83 VanDerWaalsContact C-N 3.33Å; R81-A83 PolarHBondContact O-N 2.88Å; R81-A83 VanDerWaalsContact O-N 3.07Å; A83-R85 WeakPolarHBondContact CB-O 3.27Å; A83-R85 PolarHBondContact O-N 3.22Å
84R61.9Low71.6Confident253 Ų25397.5 Ų97.596%0.95545%0.449SS*.SBendtrans-65.4-11.3173.9-75.7-173.4177175.5-1.3112.8V82V82-R84 PolarHBondContact O-N 3.48Å
85R54.3Low71.8Confident219 Ų21995.9 Ų95.983%0.82644%0.442SS*.SBendtrans-131.8159.8-179.4-67.9-168.1175.4-168.3-0.5110.4A83 S87A83-R85 WeakPolarHBondContact CB-O 3.27Å; A83-R85 PolarHBondContact O-N 3.22Å; R85-S87 PolarHBondContact O-N 3.22Å
86R56.7Low71.8Confident265 Ų26595.1 Ų95.1100%144%0.436SS*.SBendtrans-58.227.5-178.6-70.6-178.6174.8167.3-2.3115.5
87S52.9Low71.8Confident54 Ų5492 Ų9238%0.37842%0.42SS..  trans-80.1140.1172.366.60000110.3R85 F89R85-S87 PolarHBondContact O-N 3.22Å; S87-F89 PolarHBondContact O-N 3.07Å
88S57.8Low72Confident104 Ų10491.1 Ų91.173%0.72742%0.421SS*.SBendtrans-39.2137170.653.80000112.2Q90S88-Q90 PolarHBondContact O-N 3.29Å
89F56.6Low72.1Confident148 Ų14893.4 Ų93.465%0.64943%0.432SS*.  trans-38.3106.8-175.9-62.5-80.2000112.8S87 I91S87-F89 PolarHBondContact O-N 3.07Å; F89-I91 PolarHBondContact O-N 3.37Å
90Q69.7Low72.3Confident88 Ų8889.7 Ų89.741%0.41142%0.422SS..  trans-79.9112.4173.4-67.1-173.94.300108.3R81 S88R81-Q90 HydrophobicContact CB-CB 4.22Å; R81-Q90 WeakPolarHBondContact CB-O 3.47Å; R81-Q90 PolarHBondContact N-O 3.03Å; S88-Q90 PolarHBondContact O-N 3.29Å
91I73.5Confident72.7Confident37 Ų3785.1 Ų85.119%0.1941%0.413CS..EExtended strand (participates in β ladder)trans-98.9131.7179.7-66.1172.9000108.7I78 F89 G108 V110I78-I91 HydrophobicContact CG2-CG2 3.18Å; F89-I91 PolarHBondContact O-N 3.37Å; I91-G108 WeakPolarHBondContact O-CA 3.5Å; I91-G108 PolarHBondContact O-N 2.78Å; I91-V110 HydrophobicContact CB-CG2 4.1Å; I91-V110 HydrophobicContact CD1-CG2 3.81Å; I91-V110 HydrophobicContact CG2-CG2 4.07Å
92D82.1Confident73.5Confident21 Ų2182.2 Ų82.211%0.11240%0.403CS..EExtended strand (participates in β ladder)trans-102.5129.9169.2-78.3-11.7000110.2I78 K79 R81 V105I78-D92 CarbonylContact C-O 3.55Å; I78-D92 WeakPolarHBondContact CA-O 3.46Å; K79-D92 HydrophobicContact CB-CB 4.37Å; K79-D92 PolarHBondContact N-O 3.08Å; K79-D92 PolarHBondContact O-N 3Å; R81-D92 IonicContact CZ-OD1 3.09Å; R81-D92 IonicContact CZ-OD2 3.21Å; R81-D92 IonicContact NE-OD1 2.99Å; R81-D92 PolarHBondContact NE-OD1 3.22Å; R81-D92 IonicContact NE-OD2 2.71Å; R81-D92 PolarHBondContact NE-OD2 3.16Å; R81-D92 IonicContact NH2-OD1 2.79Å; R81-D92 PolarHBondContact NH2-OD1 3.29Å; R81-D92 IonicContact NH2-OD2 2.81Å; R81-D92 PolarHBondContact NH2-OD2 2.91Å; D92-V105 HydrophobicContact CB-CG1 4.07Å
93Q82.9Confident74.5Confident1 Ų183 Ų831%0.00540%0.395CS..EExtended strand (participates in β ladder)trans-94.1119.4165.1-170.6-174.752.200108.9C57 I76 V105 S106C57-Q93 VanDerWaalsContact SG-CD 3.59Å; C57-Q93 PolarHBondContact SG-NE2 2.73Å; C57-Q93 PolarHBondContact SG-OE1 2.84Å; I76-Q93 HydrophobicContact CG2-CG 3.57Å; Q93-V105 CarbonylContact O-C 3.58Å; Q93-V105 WeakPolarHBondContact O-CA 3.49Å; Q93-S106 PolarHBondContact N-O 2.75Å; Q93-S106 PolarHBondContact O-N 3.41Å
94V85.4Confident75.7Confident15 Ų1583 Ų839%0.09139%0.389CS..EExtended strand (participates in β ladder)trans-101.7110173.3-173.60000108I76 R77 K79 I96 E104 V105I76-V94 WeakPolarHBondContact CA-O 3.16Å; R77-V94 HydrophobicContact CB-CB 4.35Å; R77-V94 PolarHBondContact N-O 2.91Å; R77-V94 PolarHBondContact O-N 3.07Å; K79-V94 HydrophobicContact CD-CG2 3.95Å; K79-V94 HydrophobicContact CG-CG2 4.24Å; V94-I96 HydrophobicContact CG1-CD1 4.43Å; V94-I96 HydrophobicContact CG1-CG1 4.08Å; V94-E104 CarbonylContact C-O 3.58Å; V94-E104 WeakPolarHBondContact CA-O 3.3Å; V94-V105 HydrophobicContact CG1-CG2 4.44Å; V94-V105 HydrophobicContact CG2-CG2 4.25Å
95F86.1Confident76.8Confident3 Ų374.7 Ų74.71%0.01337%0.366CS..EExtended strand (participates in β ladder)trans-86.3136.9169.9171.8-89.8000109.7P56 H69 K74 T75 I76 C97 K103 E104P56-F95 HydrophobicContact CB-CB 3.55Å; P56-F95 HydrophobicContact CB-CD1 4.18Å; P56-F95 HydrophobicContact CB-CD2 4.27Å; P56-F95 HydrophobicContact CB-CG 3.73Å; P56-F95 WeakPolarHBondContact O-CD2 3.46Å; H69-F95 AromaticContact CE1-CE1 3.94Å; H69-F95 AromaticContact CE1-CZ 3.36Å; H69-F95 WeakPolarHBondContact CE1-CZ 3.08Å; H69-F95 AromaticContact ND1-CZ 3.56Å; K74-F95 HydrophobicContact CB-CD2 4.19Å; K74-F95 HydrophobicContact CB-CE2 3.32Å; K74-F95 HydrophobicContact CB-CZ 3.82Å; K74-F95 HydrophobicContact CD-CD2 4.47Å; K74-F95 HydrophobicContact CD-CE2 3.67Å; K74-F95 HydrophobicContact CG-CE2 4.11Å; T75-F95 CarbonylContact O-C 3.6Å; I76-F95 HydrophobicContact CG1-CD2 4.45Å; F95-C97 HydrophobicContact CE1-CB 4.27Å; F95-K103 CarbonylContact O-C 3.57Å; F95-K103 VanDerWaalsContact O-CA 3.3Å; F95-K103 WeakPolarHBondContact O-CA 3.49Å; F95-E104 HydrophobicContact CB-CB 4.27Å; F95-E104 HydrophobicContact CD1-CB 4.15Å; F95-E104 HydrophobicContact CD1-CG 4.39Å; F95-E104 PolarHBondContact N-O 2.86Å; F95-E104 PolarHBondContact O-N 3.22Å
96I88.1Confident78Confident25 Ų2565.4 Ų65.413%0.12833%0.334CS..EExtended strand (participates in β ladder)trans-133.8121.3176.9-46.7-179.4000108.9K74 T75 V94 A102 K103K74-I96 WeakPolarHBondContact CA-O 3.46Å; T75-I96 PolarHBondContact N-O 3.49Å; T75-I96 PolarHBondContact O-N 2.79Å; V94-I96 HydrophobicContact CG1-CD1 4.43Å; V94-I96 HydrophobicContact CG1-CG1 4.08Å; I96-A102 CarbonylContact C-O 3.34Å; I96-A102 VanDerWaalsContact CA-O 3.27Å; I96-A102 WeakPolarHBondContact CA-O 3.34Å; I96-K103 HydrophobicContact CG1-CG 4.2Å; I96-K103 HydrophobicContact CG2-CG 4.27Å
97C85.3Confident79.1Confident0 Ų061.5 Ų61.50%032%0.32CS..EExtended strand (participates in β ladder)trans-72.3124.5167.1174.30000108.9H69 F95 L99 C100 G101 A102H69-C97 PolarHBondContact NE2-SG 3.07Å; F95-C97 HydrophobicContact CE1-CB 4.27Å; C97-L99 VanDerWaalsContact C-N 3.32Å; C97-L99 PolarHBondContact SG-N 2.7Å; C97-C100 PolarHBondContact SG-N 3.46Å; C97-C100 VanDerWaalsContact SG-N 3.41Å; C97-C100 PolarHBondContact SG-SG 3.29Å; C97-G101 WeakPolarHBondContact O-CA 2.83Å; C97-G101 PolarHBondContact O-N 2.85Å; C97-A102 HydrophobicContact CB-CB 4.14Å; C97-A102 PolarHBondContact N-O 2.83Å
98K88.4Confident79.9Confident128 Ų12861.9 Ų61.956%0.55733%0.333SS*.THydrogen-bonded Turntrans-72.7-26.7178.5-68.3-173.4-176170.90112.8T72 E73 T75T72-K98 VanDerWaalsContact O-CD 3.27Å; T72-K98 WeakPolarHBondContact O-CD 3.33Å; T72-K98 WeakPolarHBondContact O-CE 3.27Å; T72-K98 PolarHBondContact O-NZ 3.08Å; E73-K98 WeakPolarHBondContact O-CB 3.46Å; E73-K98 WeakPolarHBondContact O-CG 3.44Å; E73-K98 PolarHBondContact O-N 3.14Å; T75-K98 WeakPolarHBondContact OG1-CE 3.29Å
99L84.5Confident80.2Confident99 Ų9960.3 Ų60.352%0.51831%0.312SS..THydrogen-bonded Turntrans-75.5-51.6-177.3-61.2172.5000112.3H67 E73 C97H67-L99 HydrophobicContact CB-CD1 3.89Å; H67-L99 WeakPolarHBondContact CD2-CD1 3.21Å; H67-L99 VanDerWaalsContact CG-CD1 3.46Å; E73-L99 HydrophobicContact CG-CD1 4.38Å; E73-L99 HydrophobicContact CG-CG 4.5Å; C97-L99 VanDerWaalsContact C-N 3.32Å; C97-L99 PolarHBondContact SG-N 2.7Å
100C84.6Confident80.6Confident45 Ų4556.4 Ų56.430%0.30430%0.301SS..THydrogen-bonded Turntrans-107.1-1.4-177.170.60000114.6C62 C65 C97 A102C62-C100 VanDerWaalsContact SG-SG 3.62Å; C65-C100 HydrophobicContact CB-CB 3.73Å; C97-C100 PolarHBondContact SG-N 3.46Å; C97-C100 VanDerWaalsContact SG-N 3.41Å; C97-C100 PolarHBondContact SG-SG 3.29Å; C100-A102 PolarHBondContact O-N 2.93Å; C100-A102 VanDerWaalsContact O-N 3.14Å; C100-A102 WeakPolarHBondContact SG-CB 3.18Å
101G84.3Confident80.2Confident39 Ų3953.4 Ų53.440%0.40229%0.289SS..  trans697.8-178.600000115C97 K103C97-G101 WeakPolarHBondContact O-CA 2.83Å; C97-G101 PolarHBondContact O-N 2.85Å; G101-K103 PolarHBondContact O-N 2.96Å
102A83.7Confident79.6Confident5 Ų562 Ų624%0.04133%0.325CS..  trans-56.4136.2176.400000111R64 I96 C97 C100R64-A102 HydrophobicContact CB-CB 3.65Å; R64-A102 HydrophobicContact CG-CB 4.22Å; I96-A102 CarbonylContact C-O 3.34Å; I96-A102 VanDerWaalsContact CA-O 3.27Å; I96-A102 WeakPolarHBondContact CA-O 3.34Å; C97-A102 HydrophobicContact CB-CB 4.14Å; C97-A102 PolarHBondContact N-O 2.83Å; C100-A102 PolarHBondContact O-N 2.93Å; C100-A102 VanDerWaalsContact O-N 3.14Å; C100-A102 WeakPolarHBondContact SG-CB 3.18Å
103K87.1Confident78.2Confident157 Ų15769.8 Ų69.868%0.68336%0.361SS*.EExtended strand (participates in β ladder)trans-117.9126.4178.9-62178.9-175.8163.40109.4F95 I96 G101F95-K103 CarbonylContact O-C 3.57Å; F95-K103 VanDerWaalsContact O-CA 3.3Å; F95-K103 WeakPolarHBondContact O-CA 3.49Å; I96-K103 HydrophobicContact CG1-CG 4.2Å; I96-K103 HydrophobicContact CG2-CG 4.27Å; G101-K103 PolarHBondContact O-N 2.96Å
104E84.4Confident76.5Confident38 Ų3874.4 Ų74.418%0.17838%0.382CS..EExtended strand (participates in β ladder)trans-122.7139.9173.8-65.1-179.2-163.600109.1P56 R59 V94 F95P56-E104 HydrophobicContact CB-CB 3.96Å; P56-E104 VanDerWaalsContact CB-OE2 3.31Å; P56-E104 WeakPolarHBondContact CB-OE2 3.46Å; P56-E104 HydrophobicContact CG-CB 3.88Å; P56-E104 VanDerWaalsContact CG-OE2 3.29Å; P56-E104 WeakPolarHBondContact CG-OE2 3.26Å; R59-E104 IonicContact CZ-OE2 3.86Å; R59-E104 IonicContact NH1-OE1 2.79Å; R59-E104 IonicContact NH1-OE2 3.56Å; R59-E104 PolarHBondContact NH1-OE2 3.45Å; V94-E104 CarbonylContact C-O 3.58Å; V94-E104 WeakPolarHBondContact CA-O 3.3Å; F95-E104 HydrophobicContact CB-CB 4.27Å; F95-E104 HydrophobicContact CD1-CB 4.15Å; F95-E104 HydrophobicContact CD1-CG 4.39Å; F95-E104 PolarHBondContact N-O 2.86Å; F95-E104 PolarHBondContact O-N 3.22Å
105V83.8Confident74.4Confident78 Ų7883.1 Ų83.147%0.47342%0.419SS..EExtended strand (participates in β ladder)trans-117.3123.6-179.2-176.70000109.4D92 Q93 V94D92-V105 HydrophobicContact CB-CG1 4.07Å; Q93-V105 CarbonylContact O-C 3.58Å; Q93-V105 WeakPolarHBondContact O-CA 3.49Å; V94-V105 HydrophobicContact CG1-CG2 4.44Å; V94-V105 HydrophobicContact CG2-CG2 4.25Å
106S81.4Confident72.3Confident23 Ų2384.6 Ų84.616%0.16144%0.435CS..EExtended strand (participates in β ladder)trans-106.9123.4168.6-77.80000110.8P56 Q93P56-S106 WeakPolarHBondContact CD-OG 3.13Å; P56-S106 WeakPolarHBondContact CG-OG 3.37Å; Q93-S106 PolarHBondContact N-O 2.75Å; Q93-S106 PolarHBondContact O-N 3.41Å
107R78.2Confident70.2Confident183 Ų18389.7 Ų89.769%0.69147%0.47SS*.EExtended strand (participates in β ladder)trans-92.6134.7-176-50.8-175.8168.4-163-5.4109.2F109R107-F109 PolarHBondContact O-N 2.82Å; R107-F109 VanDerWaalsContact O-N 3.14Å
108G69.4Low68Low63 Ų6395.5 Ų95.565%0.64951%0.505SS*.SBendtrans70.34.2175.600000115.1I91I91-G108 WeakPolarHBondContact O-CA 3.5Å; I91-G108 PolarHBondContact O-N 2.78Å
109F65.8Low65.7Low70 Ų7097 Ų9731%0.30751%0.511SS..  trans-97.4118.9176.6-174.2-94.2000110.2P55 C57 R107 P111P55-F109 HydrophobicContact CB-CD1 3.88Å; P55-F109 HydrophobicContact CB-CD2 4.26Å; P55-F109 HydrophobicContact CB-CE1 3.95Å; P55-F109 HydrophobicContact CB-CE2 4.32Å; P55-F109 HydrophobicContact CB-CG 4.05Å; P55-F109 HydrophobicContact CB-CZ 4.18Å; P55-F109 HydrophobicContact CG-CD1 4.06Å; P55-F109 HydrophobicContact CG-CD2 4.17Å; P55-F109 HydrophobicContact CG-CE1 3.61Å; P55-F109 HydrophobicContact CG-CE2 3.74Å; P55-F109 HydrophobicContact CG-CG 4.33Å; P55-F109 HydrophobicContact CG-CZ 3.45Å; P55-F109 VanDerWaalsContact CG-CZ 3.45Å; C57-F109 WeakPolarHBondContact SG-CE1 3.48Å; R107-F109 PolarHBondContact O-N 2.82Å; R107-F109 VanDerWaalsContact O-N 3.14Å; F109-P111 HydrophobicContact CE1-CB 4.06Å
110V63.7Low63.4Low67 Ų67101.2 Ų101.241%0.40653%0.525SS..  trans-113.8117.5170.3-175.20000107I91 K112 H114I91-V110 HydrophobicContact CB-CG2 4.1Å; I91-V110 HydrophobicContact CD1-CG2 3.81Å; I91-V110 HydrophobicContact CG2-CG2 4.07Å; V110-K112 PolarHBondContact O-N 2.83Å; V110-H114 HydrophobicContact CG1-CB 4.12Å
111P60.9Low60.9Low25 Ų25105 Ų10516%0.16255%0.547CS..  trans-60.5137.317620.1-25.5000109.2F109 E113 H114F109-P111 HydrophobicContact CE1-CB 4.06Å; P111-E113 PolarHBondContact O-N 2.9Å; P111-H114 HydrophobicContact CG-CB 4.1Å; P111-H114 PolarHBondContact O-N 3.14Å
112K62.6Low58.6Low217 Ų217110.1 Ų110.194%0.94357%0.565SS**THydrogen-bonded Turntrans-52.3-30.1-176.9-69.8-176.7177.6-177.50113V110V110-K112 PolarHBondContact O-N 2.83Å
113E52.9Low56.1Low185 Ų185115.7 Ų115.786%0.86460%0.599SS**THydrogen-bonded Turntrans-80.9-9.7179.2-67.5176.2-162.500114.5P111 K115P111-E113 PolarHBondContact O-N 2.9Å; E113-K115 PolarHBondContact O-N 2.81Å
114H45.6Very low53.5Low97 Ų97113.4 Ų113.445%0.44960%0.603SS.*  trans-76.377.6170-117.550.5000109.6I78 V110 P111 G116I78-H114 HydrophobicContact CD1-CB 4.07Å; I78-H114 WeakPolarHBondContact CD1-CD2 3.31Å; V110-H114 HydrophobicContact CG1-CB 4.12Å; P111-H114 HydrophobicContact CG-CB 4.1Å; P111-H114 PolarHBondContact O-N 3.14Å; H114-G116 PolarHBondContact O-N 3.41Å
115K42Very low50.9Low198 Ų198119.5 Ų119.586%0.86163%0.631SS**  trans-65.869.7149.3-63.8-164.3-179.9-1720107.4E113E113-K115 PolarHBondContact O-N 2.81Å
116G42.9Very low48.3Very low34 Ų34125 Ų12535%0.35165%0.652SS.*  trans-53.4151.7161.100000107.7H114 V118H114-G116 PolarHBondContact O-N 3.41Å; G116-V118 VanDerWaalsContact C-N 3.34Å; G116-V118 PolarHBondContact O-N 2.85Å
117P41.9Very low45.8Very low133 Ų133130 Ų13086%0.86468%0.682SS**  trans-54.7104.3-177.421.6-31.6000108.1K119P117-K119 PolarHBondContact O-N 3.02Å
118V40.3Very low43.4Very low122 Ų122126.3 Ų126.374%0.73968%0.684SS**  trans-54.3115.1168.6177.50000102.4G116 K120G116-V118 VanDerWaalsContact C-N 3.34Å; G116-V118 PolarHBondContact O-N 2.85Å; V118-K120 PolarHBondContact O-N 2.84Å
119K39.2Very low41.3Very low158 Ų158129.4 Ų129.469%0.68769%0.69SS**  trans-50.4114.1169.9-78.7-177.6172.7-1740104P117 T121P117-K119 PolarHBondContact O-N 3.02Å; K119-T121 VanDerWaalsContact C-N 3.32Å; K119-T121 PolarHBondContact O-N 2.83Å
120K35.9Very low39.6Very low188 Ų188132.6 Ų132.682%0.81772%0.715SS**  trans-46.7110.2169.4-70.7-176175.6-172.30104.6V118 N122V118-K120 PolarHBondContact O-N 2.84Å; K120-N122 PolarHBondContact O-N 3.14Å
121T32.1Very low37.9Very low125 Ų125137.9 Ų137.977%0.76774%0.736SS**  trans-55.6103.1162.9200000103.1K119 T123K119-T121 VanDerWaalsContact C-N 3.32Å; K119-T121 PolarHBondContact O-N 2.83Å; T121-T123 PolarHBondContact O-N 2.83Å
122N36.1Very low36.4Very low146 Ų146143.7 Ų143.778%0.78177%0.771SS**  trans-62.5100.7166-77.8-9000103.7K120 S124K120-N122 PolarHBondContact O-N 3.14Å; N122-S124 PolarHBondContact O-N 2.81Å
123T31Very low34.8Very low123 Ų123142.9 Ų142.976%0.75577%0.767SS**  trans-54.292.6156.8-51.30000105T121 Q125T121-T123 PolarHBondContact O-N 2.83Å; T123-Q125 HydrophobicContact CG2-CG 4.38Å; T123-Q125 PolarHBondContact O-N 2.79Å
124S34Very low33.7Very low108 Ų108143.1 Ų143.176%0.75577%0.765SS**  trans-72.484.6167.650.50000105.6N122 E126N122-S124 PolarHBondContact O-N 2.81Å; S124-E126 PolarHBondContact O-N 2.71Å
125Q29.7Very low33.1Very low166 Ų166148.6 Ų148.678%0.77679%0.788SS**  trans-60.1124.9150.5-79.6179.6-25.700106.3T123 T127T123-Q125 HydrophobicContact CG2-CG 4.38Å; T123-Q125 PolarHBondContact O-N 2.79Å; Q125-T127 PolarHBondContact O-N 2.99Å
126E28.9Very low32.5Very low194 Ų194146.1 Ų146.191%0.90779%0.789SS**  trans-51.2117.9170.3-70.1165.2139.100108.6S124S124-E126 PolarHBondContact O-N 2.71Å
127T28Very low32.1Very low129 Ų129154 Ų15479%0.79181%0.814SS**  trans-149.8129.3155.6-18.20000108.8Q125Q125-T127 PolarHBondContact O-N 2.99Å
128S27.9Very low31.7Very low104 Ų104157.8 Ų157.873%0.72782%0.817SS**  trans-57.1139.9-166.345.40000115.1
129V26.2Very low31.5Very low128 Ų128161.8 Ų161.878%0.77682%0.824SS**  trans-3.6118.7150.7-173.10000115.8
130T29.5Very low31.2Very low137 Ų137163.7 Ų163.784%0.8483%0.833SS**  trans-150.8115.8135.96.20000108.5
131E28.5Very low31.2Very low179 Ų179164.3 Ų164.384%0.83684%0.836SS**  trans-67.7127.3179-61.8-177.1143.100110.4
132T29.9Very low31.2Very low146 Ų146163.5 Ų163.590%0.89684%0.835SS**  trans-148.7135.2150.221.80000111.2
133K28.9Very low31.1Very low200 Ų200165.6 Ų165.687%0.8784%0.837SS**  trans-75.1142.4-164.9-70.5169.1175.5169.50113.2
134K28.3Very low31.1Very low191 Ų191166.8 Ų166.883%0.8384%0.836SS**  trans44113.1144.8-73.9179.6174.21760118.3
135K33.8Very low31.2Very low211 Ų211168.1 Ų168.192%0.91783%0.834SS**  -145116125.2-75.3-162.5179.31710111.7K137K135-K137 PolarHBondContact O-N 2.78Å
136T29.8Very low31.5Very low146 Ų146166.5 Ų166.590%0.89683%0.83SS**  trans-66.2104.3174.2-9.10000109.9
137K35.1Very low31.7Very low200 Ų200163 Ų16387%0.8782%0.822SS**  trans-102.6105.9165.3-95.9-177.6177.2176.80109.9K135 K139K135-K137 PolarHBondContact O-N 2.78Å; K137-K139 VanDerWaalsContact C-N 3.33Å; K137-K139 PolarHBondContact O-N 2.79Å
138K33.1Very low32Very low213 Ų213166 Ų16693%0.92682%0.824SS**  trans-60.685.3174.3-155.2176.6-171.6177.90109K140K138-K140 PolarHBondContact O-N 2.77Å
139K35.5Very low31.9Very low205 Ų205165.4 Ų165.489%0.89183%0.825SS**  trans-71.6104.6177.4-115.2-179.3-179.9177.90109.2K137 K141K137-K139 VanDerWaalsContact C-N 3.33Å; K137-K139 PolarHBondContact O-N 2.79Å; K139-K141 PolarHBondContact O-N 2.8Å
140K34.2Very low32.3Very low199 Ų199167.6 Ų167.687%0.86583%0.826SS**  trans-43.7120.1172.2-160.8173.5-176.8178.30109.1K138 S142K138-K140 PolarHBondContact O-N 2.77Å; K140-S142 PolarHBondContact O-N 3.26Å
141K34.5Very low32.2Very low201 Ų201166.5 Ų166.587%0.87482%0.82SS**  trans-61.997.7177.4-124.2176.7-179.1174.60108K139 K143K139-K141 PolarHBondContact O-N 2.8Å; K141-K143 PolarHBondContact O-N 3.01Å; K141-K143 VanDerWaalsContact O-N 3.11Å
142S33.2Very low32.5Very low108 Ų108166.9 Ų166.976%0.75582%0.819SS**  trans-65.8110170.850.60000107.8K140 M144K140-S142 PolarHBondContact O-N 3.26Å; S142-M144 VanDerWaalsContact C-N 3.27Å; S142-M144 PolarHBondContact O-N 3.31Å
143K34.4Very low32.5Very low189 Ų189168 Ų16882%0.82281%0.814SS**  trans-7387.5169-74.5178.6178.5174.50107K141 N145K141-K143 PolarHBondContact O-N 3.01Å; K141-K143 VanDerWaalsContact O-N 3.11Å; K143-N145 VanDerWaalsContact C-N 3.33Å; K143-N145 PolarHBondContact O-N 2.85Å
144M30.8Very low32.5Very low149 Ų149164.7 Ų164.773%0.73481%0.811SS**  trans-78.888.4173.9-151.2169.788.800108.1S142 I146S142-M144 VanDerWaalsContact C-N 3.27Å; S142-M144 PolarHBondContact O-N 3.31Å; M144-I146 HydrophobicContact CE-CD1 3.66Å; M144-I146 HydrophobicContact CE-CG1 3.89Å; M144-I146 HydrophobicContact CG-CG1 4.4Å; M144-I146 PolarHBondContact O-N 2.71Å
145N36.2Very low32.5Very low135 Ų135161.9 Ų161.972%0.72281%0.81SS**  trans-79.695.1167.8-73.3-20.8000107K143 V147K143-N145 VanDerWaalsContact C-N 3.33Å; K143-N145 PolarHBondContact O-N 2.85Å; N145-V147 VanDerWaalsContact C-N 3.29Å; N145-V147 HydrophobicContact CB-CG2 4.33Å; N145-V147 PolarHBondContact O-N 3.05Å
146I34.4Very low32.4Very low133 Ų133158.2 Ų158.268%0.68281%0.805SS**  trans-7491.5167.1-53.8174.7000106.2M144M144-I146 HydrophobicContact CE-CD1 3.66Å; M144-I146 HydrophobicContact CE-CG1 3.89Å; M144-I146 HydrophobicContact CG-CG1 4.4Å; M144-I146 PolarHBondContact O-N 2.71Å
147V34.3Very low32.7Very low121 Ų121159 Ų15973%0.73380%0.8SS**  trans-91.3106.8168.6178.40000106.4N145N145-V147 VanDerWaalsContact C-N 3.29Å; N145-V147 HydrophobicContact CB-CG2 4.33Å; N145-V147 PolarHBondContact O-N 3.05Å
148K33.3Very low33.1Very low192 Ų192154.2 Ų154.284%0.83579%0.79SS**  trans-73.4122.2163.1-81.4-173172.1-170.50108
149A27.4Very low33.1Very low91 Ų91151 Ų15175%0.75278%0.782SS**  trans-94.7122.9168.200000107.9
150E34.4Very low32.9Very low173 Ų173151.1 Ų151.181%0.80878%0.782SS**  trans-132.5117154.6-81.1179.5-178.400106.6
151T27.1Very low33Very low115 Ų115147.9 Ų147.971%0.70678%0.779SS**  trans-66.7121.4178.929.80000110.6
152F34Very low32.9Very low186 Ų186147.8 Ų147.882%0.81678%0.779SS**  trans-130.5114.5154.3-78.7-81000108.4
153H29.2Very low33.4Very low169 Ų169149 Ų14978%0.78278%0.784SS**  trans-72.3123.8172-64.3-81.8000108.5
154T29.6Very low33.6Very low132 Ų132148.7 Ų148.781%0.8179%0.788SS**  trans-151.5112.8151.8-19.40000109.7
155T29Very low34.5Very low132 Ų132147 Ų14781%0.8179%0.791SS**  trans-75.1124.8-179.8-39.60000109.4
156T31.6Very low35.2Very low134 Ų134145.8 Ų145.882%0.82279%0.793SS**  trans-157.3115.3154.9-22.10000110
157M35.1Very low36.2Very low161 Ų161144.6 Ų144.679%0.79379%0.791SS**  trans-65171.8160.3-61-78.5-7500108.7
158P43.8Very low37.3Very low101 Ų101143 Ų14366%0.65678%0.779SS**  cis-155.4-167.120.547.8-26000116.8
159I33.8Very low38.4Very low146 Ų146138.8 Ų138.875%0.74977%0.769SS**  trans75.3112154.6-58.1161.5000120.4
160K30.7Very low39.5Very low207 Ų207139 Ų13990%0.975%0.753SS**  trans-59.7123.7164-66.8170.9175.4174.90111.3
161T35.6Very low40.4Very low131 Ų131132.8 Ų132.880%0.80473%0.731SS**  trans-132.9137.3155.437.10000109.8
162K34.1Very low41.6Very low199 Ų199131.5 Ų131.587%0.86572%0.723SS**  trans-65.7147.3-173.3-68.4175.31791760110.7M164K162-M164 PolarHBondContact O-N 3Å
163P42.7Very low42.5Very low132 Ų132124.6 Ų124.686%0.85769%0.693SS**  trans-75.1100.6-176.330.7-31.4000109.3S165P163-S165 PolarHBondContact O-N 3.5Å
164M39.5Very low43.7Very low184 Ų184120 Ų12091%0.90667%0.673SS**  trans-70.7126.6158.9-107.8179148.900107.4K162 S166K162-M164 PolarHBondContact O-N 3Å; M164-S166 PolarHBondContact O-N 2.97Å
165S48.9Very low45Very low114 Ų114118 Ų11880%0.79766%0.664SS**  trans-53.6100.1176.944.20000109.6P163 V167P163-S165 PolarHBondContact O-N 3.5Å; S165-V167 PolarHBondContact O-N 2.72Å
166S51.5Low46.2Very low109 Ų109115.8 Ų115.876%0.76265%0.654SS**  trans-72.694.6177.765.30000108.1M164 N168M164-S166 PolarHBondContact O-N 2.97Å; S166-N168 PolarHBondContact O-N 3.07Å; S166-N168 VanDerWaalsContact O-N 3.07Å
167V55Low46.9Very low107 Ų107113.7 Ų113.765%0.64864%0.637SS**  trans-55.2117154.3177.60000104.9S165 T169S165-V167 PolarHBondContact O-N 2.72Å; V167-T169 PolarHBondContact O-N 2.99Å
168N56.7Low47.2Very low89 Ų89114.2 Ų114.248%0.47666%0.655SS.*  trans-70.979.7-175.8-172.44.8000108.3S166 F170 A171 T172S166-N168 PolarHBondContact O-N 3.07Å; S166-N168 VanDerWaalsContact O-N 3.07Å; N168-F170 PolarHBondContact O-N 2.82Å; N168-A171 HydrophobicContact CB-CB 4.23Å; N168-A171 WeakPolarHBondContact O-CB 3.35Å; N168-A171 PolarHBondContact O-N 2.86Å; N168-T172 PolarHBondContact O-N 3.19Å
169T56.2Low47.4Very low102 Ų102114.9 Ų114.963%0.62666%0.655SS**Hα-helixtrans-51.6-31.6-176.436.40000112.1V167 T172 F173V167-T169 PolarHBondContact O-N 2.99Å; T169-T172 PolarHBondContact O-N 3.11Å; T169-F173 VanDerWaalsContact O-CB 3.3Å; T169-F173 WeakPolarHBondContact O-CB 3.37Å; T169-F173 PolarHBondContact O-N 3.37Å
170F50.6Low48.1Very low97 Ų97113.3 Ų113.343%0.42565%0.65SS.*Hα-helixtrans-63.6-44.4173.5-174.6-96000112.9N168 F173 M174N168-F170 PolarHBondContact O-N 2.82Å; F170-F173 PolarHBondContact O-N 3.28Å; F170-M174 HydrophobicContact CD1-CG 4.14Å; F170-M174 HydrophobicContact CE1-CG 3.7Å; F170-M174 HydrophobicContact CE1-SD 4.48Å; F170-M174 HydrophobicContact CE2-CG 4.3Å; F170-M174 HydrophobicContact CE2-SD 4.4Å; F170-M174 HydrophobicContact CZ-CG 3.8Å; F170-M174 HydrophobicContact CZ-SD 4Å; F170-M174 VanDerWaalsContact O-CG 3.26Å; F170-M174 WeakPolarHBondContact O-CG 3.04Å; F170-M174 PolarHBondContact O-N 3.43Å
171A53.5Low49.1Very low42 Ų42108.1 Ų108.135%0.34764%0.636SS.*Hα-helixtrans-65.7-43178.100000111.1N168 F173 M174 S175N168-A171 HydrophobicContact CB-CB 4.23Å; N168-A171 WeakPolarHBondContact O-CB 3.35Å; N168-A171 PolarHBondContact O-N 2.86Å; A171-F173 PolarHBondContact O-N 2.87Å; A171-M174 PolarHBondContact O-N 2.83Å; A171-S175 PolarHBondContact O-N 3.04Å; A171-S175 PolarHBondContact O-OG 2.92Å; A171-S175 VanDerWaalsContact O-OG 3.08Å
172T53.5Low49.9Very low88 Ų88106.7 Ų106.754%0.5463%0.626SS.*Hα-helixtrans-62-43.3176.7-46.20000111.9N168 T169 S175 S176N168-T172 PolarHBondContact O-N 3.19Å; T169-T172 PolarHBondContact O-N 3.11Å; T172-S175 PolarHBondContact O-N 2.88Å; T172-S176 PolarHBondContact O-N 2.94Å
173F51.5Low50.9Low41 Ų41100.9 Ų100.918%0.1861%0.611CS.*Hα-helixtrans-63-45.2176.7-178.6-101000112V26 T27 L32 T169 F170 A171 S175 S176 L177V26-F173 HydrophobicContact CG1-CZ 4.25Å; T27-F173 HydrophobicContact CG2-CE1 4.44Å; T27-F173 HydrophobicContact CG2-CZ 3.95Å; L32-F173 HydrophobicContact CD1-CD2 4.09Å; L32-F173 HydrophobicContact CD1-CE2 4.23Å; L32-F173 HydrophobicContact CD1-CG 4.3Å; T169-F173 VanDerWaalsContact O-CB 3.3Å; T169-F173 WeakPolarHBondContact O-CB 3.37Å; T169-F173 PolarHBondContact O-N 3.37Å; F170-F173 PolarHBondContact O-N 3.28Å; A171-F173 PolarHBondContact O-N 2.87Å; F173-S175 VanDerWaalsContact C-N 3.26Å; F173-S175 PolarHBondContact O-N 2.9Å; F173-S176 PolarHBondContact O-N 3.27Å; F173-S176 VanDerWaalsContact O-N 3.07Å; F173-S176 PolarHBondContact O-OG 3.21Å; F173-L177 HydrophobicContact CD1-CD1 4Å; F173-L177 HydrophobicContact CE1-CD1 3.46Å; F173-L177 VanDerWaalsContact CE1-CD1 3.46Å; F173-L177 HydrophobicContact CZ-CD1 3.84Å
174M55.8Low51.4Low73 Ų7398.9 Ų98.936%0.3660%0.595SS.*Hα-helixtrans-63.3-32.9177.3-69.3-60.6-62.300112.6F170 A171 S176F170-M174 HydrophobicContact CD1-CG 4.14Å; F170-M174 HydrophobicContact CE1-CG 3.7Å; F170-M174 HydrophobicContact CE1-SD 4.48Å; F170-M174 HydrophobicContact CE2-CG 4.3Å; F170-M174 HydrophobicContact CE2-SD 4.4Å; F170-M174 HydrophobicContact CZ-CG 3.8Å; F170-M174 HydrophobicContact CZ-SD 4Å; F170-M174 VanDerWaalsContact O-CG 3.26Å; F170-M174 WeakPolarHBondContact O-CG 3.04Å; F170-M174 PolarHBondContact O-N 3.43Å; A171-M174 PolarHBondContact O-N 2.83Å; M174-S176 VanDerWaalsContact C-N 3.31Å
175S56.4Low52.3Low88 Ų8892.8 Ų92.862%0.61557%0.573SS**Hα-helixtrans-68.7-27.4174.2-61.10000113.3A171 T172 F173 L177A171-S175 PolarHBondContact O-N 3.04Å; A171-S175 PolarHBondContact O-OG 2.92Å; A171-S175 VanDerWaalsContact O-OG 3.08Å; T172-S175 PolarHBondContact O-N 2.88Å; F173-S175 VanDerWaalsContact C-N 3.26Å; F173-S175 PolarHBondContact O-N 2.9Å; S175-L177 VanDerWaalsContact C-N 3.33Å
176S53.3Low52.5Low86 Ų8691.2 Ų91.260%0.60156%0.555SS**Hα-helixtrans-79.6-10.8179.7690000114.8T172 F173 M174T172-S176 PolarHBondContact O-N 2.94Å; F173-S176 PolarHBondContact O-N 3.27Å; F173-S176 VanDerWaalsContact O-N 3.07Å; F173-S176 PolarHBondContact O-OG 3.21Å; M174-S176 VanDerWaalsContact C-N 3.31Å
177L47.3Very low52.6Low91 Ų9189.7 Ų89.748%0.47654%0.538SS..THydrogen-bonded Turntrans-98.3-2.5-178.9-74.7167.3000113.8F173 S175F173-L177 HydrophobicContact CD1-CD1 4Å; F173-L177 HydrophobicContact CE1-CD1 3.46Å; F173-L177 VanDerWaalsContact CE1-CD1 3.46Å; F173-L177 HydrophobicContact CZ-CD1 3.84Å; S175-L177 VanDerWaalsContact C-N 3.33Å
178C41.8Very low52.4Low172 Ų17288.1 Ų88.1100%1.16253%0.528SS*.  trans-94.90173.7-71.30000110

Retrieved 178 of 178 residues in 100.7 ms (Link to these results)

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