A0A096MZE5_PAPAN Loading...

Palmitoyltransferase

AlphaFold DB (H9ETL8), UniProt , Accession A0A096MZE5, Species PAPAN (Papio anubis, Olive baboon), Gene ZDHHC5, Length 715 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
1M36.4Very low56.8Low233 Ų233140.5 Ų140.5100%1.14876%0.756SS**  0105.90-64-57.6-16400109.1
2P40Very low59.4Low127 Ų127136 Ų13683%0.82574%0.743SS**  trans-66.6132.5162.330.1-32000108.3E4P2-E4 PolarHBondContact O-N 2.72Å
3A39.2Very low61.5Low95 Ų95132.9 Ų132.979%0.78572%0.718SS**  trans-66.1134.3179.800000110.5S5A3-S5 PolarHBondContact O-N 2.7Å
4E46.2Very low63.7Low160 Ų160131 Ų13175%0.74870%0.696SS**  trans-62.2106.8165-92.4-145.6107.100108.2P2 G6 K7P2-E4 PolarHBondContact O-N 2.72Å; E4-G6 PolarHBondContact O-N 3.13Å; E4-K7 IonicContact OE1-NZ 3.41Å; E4-K7 PolarHBondContact OE1-NZ 3.11Å
5S46.6Very low65.8Low105 Ų105128.3 Ų128.373%0.73469%0.687SS**  trans-61.7106.1170.1510000108.1A3 K7A3-S5 PolarHBondContact O-N 2.7Å; S5-K7 PolarHBondContact O-N 3.37Å
6G48.9Very low67.7Low73 Ų73122.5 Ų122.575%0.75366%0.658SS**  trans-50.3112-172.300000110.4E4 R8E4-G6 PolarHBondContact O-N 3.13Å; G6-R8 VanDerWaalsContact C-N 3.27Å; G6-R8 PolarHBondContact O-N 3.09Å
7K63.6Low69.3Low171 Ų171116.3 Ų116.374%0.74363%0.625SS**  trans-65.984.5-169.3-71.2168.2-179.4125.70109.9E4 S5 F9E4-K7 IonicContact OE1-NZ 3.41Å; E4-K7 PolarHBondContact OE1-NZ 3.11Å; S5-K7 PolarHBondContact O-N 3.37Å; K7-F9 PolarHBondContact O-N 3.08Å; K7-F9 VanDerWaalsContact O-N 3.11Å
8R67.8Low70.9Confident224 Ų224113.2 Ų113.285%0.84561%0.614SS**  trans-41.4115.9-171.7-173.9177.2-175.51792.9110.1G6 K10G6-R8 VanDerWaalsContact C-N 3.27Å; G6-R8 PolarHBondContact O-N 3.09Å; R8-K10 WeakPolarHBondContact O-CG 3.5Å; R8-K10 PolarHBondContact O-N 2.86Å; R8-K10 VanDerWaalsContact O-N 3.13Å
9F72.8Confident72.2Confident145 Ų145108.7 Ų108.764%0.63659%0.594SS**  trans-55.5119.3-173-176-105.5000110.3K7 P11 Y14K7-F9 PolarHBondContact O-N 3.08Å; K7-F9 VanDerWaalsContact O-N 3.11Å; F9-P11 HydrophobicContact CD1-CB 4.32Å; F9-P11 HydrophobicContact CE1-CB 3.84Å; F9-P11 WeakPolarHBondContact O-CD 3.07Å; F9-Y14 HydrophobicContact CD2-CE2 4.19Å; F9-Y14 AromaticContact CE2-CD2 3.93Å; F9-Y14 HydrophobicContact CE2-CD2 3.93Å; F9-Y14 AromaticContact CE2-CE2 3.4Å; F9-Y14 HydrophobicContact CE2-CE2 3.4Å; F9-Y14 VanDerWaalsContact CE2-CE2 3.4Å; F9-Y14 AromaticContact CZ-CD2 3.85Å; F9-Y14 HydrophobicContact CZ-CD2 3.85Å; F9-Y14 AromaticContact CZ-CE2 3.84Å; F9-Y14 HydrophobicContact CZ-CE2 3.84Å
10K81Confident73.4Confident134 Ų134104.4 Ų104.458%0.58357%0.573SS**  trans-103.989.9177.9-68.2-172.5-178.7-177.40108.3R8 S12 K13R8-K10 WeakPolarHBondContact O-CG 3.5Å; R8-K10 PolarHBondContact O-N 2.86Å; R8-K10 VanDerWaalsContact O-N 3.13Å; K10-S12 PolarHBondContact O-N 3.49Å; K10-S12 VanDerWaalsContact O-N 3.11Å; K10-K13 HydrophobicContact CB-CG 4.41Å; K10-K13 PolarHBondContact O-N 3.34Å
11P82.2Confident74.5Confident79 Ų79100.9 Ų100.951%0.51356%0.558SS.*G310 helixtrans-57.5-29-176.321-32.5000112.6F9 K13 Y14 V15F9-P11 HydrophobicContact CD1-CB 4.32Å; F9-P11 HydrophobicContact CE1-CB 3.84Å; F9-P11 WeakPolarHBondContact O-CD 3.07Å; P11-K13 PolarHBondContact O-N 3.35Å; P11-K13 VanDerWaalsContact O-N 3.09Å; P11-Y14 PolarHBondContact O-N 3.46Å; P11-V15 PolarHBondContact O-N 3.4Å
12S87.6Confident77.5Confident86 Ų8695.4 Ų95.460%0.60153%0.532SS*.G310 helixtrans-55.1-23.8174.652.40000115K10 Y14K10-S12 PolarHBondContact O-N 3.49Å; K10-S12 VanDerWaalsContact O-N 3.11Å; S12-Y14 VanDerWaalsContact C-N 3.32Å
13K86.9Confident80.2Confident96 Ų9694.2 Ų94.242%0.41751%0.514SS..G310 helixtrans-67.5-31.8171.8-72.8-162.6170.8-161.60112.9K10 P11 V122 N138K10-K13 HydrophobicContact CB-CG 4.41Å; K10-K13 PolarHBondContact O-N 3.34Å; P11-K13 PolarHBondContact O-N 3.35Å; P11-K13 VanDerWaalsContact O-N 3.09Å; K13-V122 PolarHBondContact NZ-O 3.45Å; K13-N138 PolarHBondContact O-OD1 3.07Å
14Y92.4Very high82.9Confident106 Ų10690.7 Ų90.742%0.41648%0.482SS..THydrogen-bonded Turntrans-90.9-20.9-174.1-61.9-85.6000113.1F9 P11 S12 V17 S18 N138F9-Y14 HydrophobicContact CD2-CE2 4.19Å; F9-Y14 AromaticContact CE2-CD2 3.93Å; F9-Y14 HydrophobicContact CE2-CD2 3.93Å; F9-Y14 AromaticContact CE2-CE2 3.4Å; F9-Y14 HydrophobicContact CE2-CE2 3.4Å; F9-Y14 VanDerWaalsContact CE2-CE2 3.4Å; F9-Y14 AromaticContact CZ-CD2 3.85Å; F9-Y14 HydrophobicContact CZ-CD2 3.85Å; F9-Y14 AromaticContact CZ-CE2 3.84Å; F9-Y14 HydrophobicContact CZ-CE2 3.84Å; P11-Y14 PolarHBondContact O-N 3.46Å; S12-Y14 VanDerWaalsContact C-N 3.32Å; Y14-V17 WeakPolarHBondContact O-CG1 3.32Å; Y14-V17 PolarHBondContact O-N 3.27Å; Y14-S18 WeakPolarHBondContact O-CB 3.47Å; Y14-S18 PolarHBondContact O-N 2.99Å; Y14-S18 PolarHBondContact O-OG 3.27Å; Y14-N138 WeakPolarHBondContact CD1-ND2 3.38Å; Y14-N138 WeakPolarHBondContact CE1-ND2 3.33Å
15V94.7Very high85.4Confident91 Ų9185.8 Ų85.855%0.55246%0.463SS*.Hα-helixtrans-49-46.2-178.5175.30000113.6P11 A19P11-V15 PolarHBondContact O-N 3.4Å; V15-A19 VanDerWaalsContact O-CB 3.28Å; V15-A19 WeakPolarHBondContact O-CB 3.44Å; V15-A19 PolarHBondContact O-N 3.45Å
16P96.2Very high87.8Confident35 Ų3582.3 Ų82.323%0.22744%0.443CS..Hα-helixtrans-70.3-40.2-177.2-18.233000113.4A19 A20 P135 W136P16-A19 PolarHBondContact O-N 3.4Å; P16-A20 WeakPolarHBondContact O-CB 3.31Å; P16-A20 PolarHBondContact O-N 2.86Å; P16-P135 HydrophobicContact CB-CB 4.06Å; P16-P135 HydrophobicContact CG-CB 4.09Å; P16-W136 HydrophobicContact CB-CE3 4.03Å; P16-W136 HydrophobicContact CB-CZ3 4.33Å
17V96.3Very high90.1Very high17 Ų1779.9 Ų79.910%0.10342%0.416CS..Hα-helixtrans-71.4-36.7177.261.40000111.7Y14 A20 A21 F62 T66 W136 N138Y14-V17 WeakPolarHBondContact O-CG1 3.32Å; Y14-V17 PolarHBondContact O-N 3.27Å; V17-A20 PolarHBondContact O-N 3.23Å; V17-A21 WeakPolarHBondContact O-CB 3.43Å; V17-A21 PolarHBondContact O-N 2.96Å; V17-F62 HydrophobicContact CG2-CZ 3.87Å; V17-T66 HydrophobicContact CG2-CG2 4.19Å; V17-W136 WeakPolarHBondContact CA-O 3.38Å; V17-W136 WeakPolarHBondContact CG2-O 3.48Å; V17-N138 HydrophobicContact CB-CB 4.03Å; V17-N138 HydrophobicContact CG1-CB 3.6Å
18S96.6Very high91.7Very high61 Ų6171.9 Ų71.943%0.42738%0.382SS..Hα-helixtrans-64-44171.8-64.50000111.5Y14 A21 I22Y14-S18 WeakPolarHBondContact O-CB 3.47Å; Y14-S18 PolarHBondContact O-N 2.99Å; Y14-S18 PolarHBondContact O-OG 3.27Å; S18-A21 PolarHBondContact O-N 3.03Å; S18-I22 WeakPolarHBondContact O-CB 3.36Å; S18-I22 WeakPolarHBondContact O-CD1 3.35Å; S18-I22 WeakPolarHBondContact O-CG1 3.25Å; S18-I22 PolarHBondContact O-N 3.48Å
19A96.3Very high93.2Very high28 Ų2864.9 Ų64.923%0.23136%0.364CS..Hα-helixtrans-62.3-45.1175.300000111.8V15 P16 A21 I22 F23V15-A19 VanDerWaalsContact O-CB 3.28Å; V15-A19 WeakPolarHBondContact O-CB 3.44Å; V15-A19 PolarHBondContact O-N 3.45Å; P16-A19 PolarHBondContact O-N 3.4Å; A19-A21 VanDerWaalsContact C-N 3.35Å; A19-A21 PolarHBondContact O-N 3.39Å; A19-I22 PolarHBondContact O-N 3.37Å; A19-F23 WeakPolarHBondContact O-CD2 3.43Å; A19-F23 PolarHBondContact O-N 3.26Å
20A96.3Very high94.4Very high21 Ų2161.5 Ų61.517%0.17435%0.352CS..Hα-helixtrans-58.4-44.9175.700000112.1P16 V17 L24 F62 W136P16-A20 WeakPolarHBondContact O-CB 3.31Å; P16-A20 PolarHBondContact O-N 2.86Å; V17-A20 PolarHBondContact O-N 3.23Å; A20-L24 WeakPolarHBondContact O-CB 3.36Å; A20-L24 PolarHBondContact O-N 2.91Å; A20-F62 HydrophobicContact CB-CE2 4.24Å; A20-F62 HydrophobicContact CB-CZ 4.32Å; A20-W136 HydrophobicContact CB-CE3 4.18Å
21A97.5Very high95.2Very high32 Ų3255.2 Ų55.226%0.26433%0.325SS..Hα-helixtrans-63.8-43.417600000112.3V17 S18 A19 L24 V25 F62V17-A21 WeakPolarHBondContact O-CB 3.43Å; V17-A21 PolarHBondContact O-N 2.96Å; S18-A21 PolarHBondContact O-N 3.03Å; A19-A21 VanDerWaalsContact C-N 3.35Å; A19-A21 PolarHBondContact O-N 3.39Å; A21-L24 PolarHBondContact O-N 2.85Å; A21-V25 WeakPolarHBondContact O-CB 3.41Å; A21-V25 WeakPolarHBondContact O-CG2 3.26Å; A21-V25 PolarHBondContact O-N 3.37Å; A21-F62 HydrophobicContact CB-CE1 4.1Å; A21-F62 HydrophobicContact CB-CZ 4.29Å
22I97.4Very high96Very high117 Ų11754.2 Ų54.260%0.631%0.313SS*.Hα-helixtrans-63.5-45.1178.4-71.4164.1000111.3S18 A19 G26S18-I22 WeakPolarHBondContact O-CB 3.36Å; S18-I22 WeakPolarHBondContact O-CD1 3.35Å; S18-I22 WeakPolarHBondContact O-CG1 3.25Å; S18-I22 PolarHBondContact O-N 3.48Å; A19-I22 PolarHBondContact O-N 3.37Å; I22-G26 VanDerWaalsContact O-CA 3.31Å; I22-G26 WeakPolarHBondContact O-CA 3.41Å; I22-G26 PolarHBondContact O-N 3.27Å
23F96.8Very high96.4Very high103 Ų10353 Ų5345%0.45231%0.307SS..Hα-helixtrans-66.8-46176.6-75.6-62.3000112.1A19 A27 V192 F196A19-F23 WeakPolarHBondContact O-CD2 3.43Å; A19-F23 PolarHBondContact O-N 3.26Å; F23-A27 WeakPolarHBondContact O-CB 3.34Å; F23-A27 PolarHBondContact O-N 3.06Å; F23-V192 HydrophobicContact CD1-CG1 4.21Å; F23-F196 HydrophobicContact CB-CE2 4.12Å; F23-F196 HydrophobicContact CB-CZ 4.47Å; F23-F196 HydrophobicContact CD1-CE2 4.01Å; F23-F196 HydrophobicContact CD1-CZ 4.44Å; F23-F196 HydrophobicContact CD2-CE2 4.13Å; F23-F196 AromaticContact CD2-CZ 3.8Å; F23-F196 HydrophobicContact CD2-CZ 3.8Å; F23-F196 HydrophobicContact CE1-CE2 4.47Å; F23-F196 HydrophobicContact CE2-CZ 4.11Å; F23-F196 AromaticContact CG-CE2 3.83Å; F23-F196 HydrophobicContact CG-CE2 3.83Å; F23-F196 HydrophobicContact CG-CZ 4Å
24L97.3Very high96.9Very high20 Ų2051.5 Ų51.511%0.10530%0.301CS..Hα-helixtrans-61.1-51.1-179.8172.559.2000112A20 A21 T28 F55 V58 F62 L156A20-L24 WeakPolarHBondContact O-CB 3.36Å; A20-L24 PolarHBondContact O-N 2.91Å; A21-L24 PolarHBondContact O-N 2.85Å; L24-T28 VanDerWaalsContact O-CB 3.27Å; L24-T28 WeakPolarHBondContact O-CB 3.14Å; L24-T28 PolarHBondContact O-N 3.39Å; L24-T28 PolarHBondContact O-OG1 2.79Å; L24-F55 HydrophobicContact CD1-CD2 4.38Å; L24-F55 HydrophobicContact CD1-CE2 4.31Å; L24-F55 HydrophobicContact CG-CE2 4.25Å; L24-V58 HydrophobicContact CD1-CG1 3.83Å; L24-V58 HydrophobicContact CD2-CG1 3.91Å; L24-F62 HydrophobicContact CD2-CG 4.46Å; L24-L156 HydrophobicContact CD1-CD1 3.98Å
25V98.1Very high97Very high58 Ų5846.5 Ų46.535%0.35228%0.282SS..Hα-helixtrans-72.7-51.2-179.3179.20000110A21 T28 T29 F55A21-V25 WeakPolarHBondContact O-CB 3.41Å; A21-V25 WeakPolarHBondContact O-CG2 3.26Å; A21-V25 PolarHBondContact O-N 3.37Å; V25-T28 PolarHBondContact O-N 3.11Å; V25-T29 WeakPolarHBondContact O-CB 3.42Å; V25-T29 PolarHBondContact O-N 3.44Å; V25-T29 PolarHBondContact O-OG1 2.9Å; V25-T29 VanDerWaalsContact O-OG1 3.09Å; V25-F55 HydrophobicContact CG1-CZ 4.48Å; V25-F55 HydrophobicContact CG2-CZ 4.22Å
26G97.9Very high97.1Very high31 Ų3142.4 Ų42.432%0.3226%0.257SS..Hα-helixtrans-61-49.5-174.600000113.9I22 T28 T29 L30I22-G26 VanDerWaalsContact O-CA 3.31Å; I22-G26 WeakPolarHBondContact O-CA 3.41Å; I22-G26 PolarHBondContact O-N 3.27Å; G26-T28 VanDerWaalsContact C-N 3.29Å; G26-T28 PolarHBondContact O-N 2.91Å; G26-T29 PolarHBondContact O-N 3.35Å; G26-L30 WeakPolarHBondContact O-CG 3.24Å; G26-L30 PolarHBondContact O-N 3.27Å
27A97.1Very high97.1Very high22 Ų2243.7 Ų43.718%0.18227%0.266CS..Hα-helixtrans-63.9-37.2178.300000111.8F23 F31 V189F23-A27 WeakPolarHBondContact O-CB 3.34Å; F23-A27 PolarHBondContact O-N 3.06Å; A27-F31 PolarHBondContact O-N 3.42Å; A27-V189 HydrophobicContact CB-CG1 4.43Å
28T97.8Very high96.9Very high4 Ų443.4 Ų43.43%0.02527%0.266CS..Hα-helixtrans-71.3-39177.4-53.80000112.1L24 V25 G26 F31 F32 F55 H159L24-T28 VanDerWaalsContact O-CB 3.27Å; L24-T28 WeakPolarHBondContact O-CB 3.14Å; L24-T28 PolarHBondContact O-N 3.39Å; L24-T28 PolarHBondContact O-OG1 2.79Å; V25-T28 PolarHBondContact O-N 3.11Å; G26-T28 VanDerWaalsContact C-N 3.29Å; G26-T28 PolarHBondContact O-N 2.91Å; T28-F31 WeakPolarHBondContact O-CB 3.36Å; T28-F31 PolarHBondContact O-N 3.2Å; T28-F32 HydrophobicContact CG2-CD2 3.71Å; T28-F32 HydrophobicContact CG2-CE2 3.45Å; T28-F32 VanDerWaalsContact CG2-CE2 3.45Å; T28-F32 WeakPolarHBondContact O-CD2 3.36Å; T28-F32 PolarHBondContact O-N 2.96Å; T28-F55 HydrophobicContact CG2-CB 4.04Å; T28-F55 HydrophobicContact CG2-CD1 4.24Å; T28-F55 HydrophobicContact CG2-CD2 3.5Å; T28-F55 HydrophobicContact CG2-CE2 3.94Å; T28-F55 HydrophobicContact CG2-CG 3.66Å; T28-F55 HydrophobicContact CG2-CZ 4.48Å; T28-H159 PolarHBondContact OG1-NE2 2.91Å
29T98.2Very high96.7Very high77 Ų7740.6 Ų40.647%0.47225%0.246SC..Hα-helixtrans-64.3-40.2174.3-64.50000111.6V25 G26 F32 A33V25-T29 WeakPolarHBondContact O-CB 3.42Å; V25-T29 PolarHBondContact O-N 3.44Å; V25-T29 PolarHBondContact O-OG1 2.9Å; V25-T29 VanDerWaalsContact O-OG1 3.09Å; G26-T29 PolarHBondContact O-N 3.35Å; T29-F32 PolarHBondContact O-N 3.31Å; T29-A33 WeakPolarHBondContact O-CB 3.2Å; T29-A33 PolarHBondContact O-N 3.03Å
30L98.1Very high96.7Very high74 Ų7441.2 Ų41.239%0.38725%0.249SC..Hα-helixtrans-63.7-42.5173.4-69.9173.4000111.8G26 F32 A33 F34 V185 V189G26-L30 WeakPolarHBondContact O-CG 3.24Å; G26-L30 PolarHBondContact O-N 3.27Å; L30-F32 VanDerWaalsContact C-N 3.34Å; L30-F32 PolarHBondContact O-N 3.49Å; L30-A33 PolarHBondContact O-N 3.38Å; L30-F34 HydrophobicContact CD2-CD2 4.09Å; L30-F34 HydrophobicContact CD2-CE2 3.8Å; L30-F34 WeakPolarHBondContact O-CD2 3.48Å; L30-F34 PolarHBondContact O-N 3.43Å; L30-V185 HydrophobicContact CB-CG1 4.17Å; L30-V185 HydrophobicContact CD2-CG1 4.22Å; L30-V189 HydrophobicContact CB-CG2 3.62Å; L30-V189 HydrophobicContact CD1-CG2 4.15Å
31F97.9Very high96.5Very high1 Ų147 Ų470%0.00428%0.276CS..Iπ-helixtrans-59-42.1173-179.2-101.9000112.4A27 T28 T35 C36 L39 N51 V163 F166 V189A27-F31 PolarHBondContact O-N 3.42Å; T28-F31 WeakPolarHBondContact O-CB 3.36Å; T28-F31 PolarHBondContact O-N 3.2Å; F31-T35 HydrophobicContact CD2-CG2 3.99Å; F31-T35 HydrophobicContact CE2-CG2 3.74Å; F31-T35 WeakPolarHBondContact O-CA 3.3Å; F31-T35 VanDerWaalsContact O-CB 3.3Å; F31-T35 WeakPolarHBondContact O-CB 3.49Å; F31-T35 PolarHBondContact O-N 2.95Å; F31-T35 VanDerWaalsContact O-N 3.07Å; F31-C36 VanDerWaalsContact CD1-SG 3.58Å; F31-C36 WeakPolarHBondContact CE1-SG 3.42Å; F31-C36 PolarHBondContact O-N 2.86Å; F31-L39 HydrophobicContact CE2-CD1 4.37Å; F31-L39 HydrophobicContact CZ-CD1 4.06Å; F31-N51 HydrophobicContact CE1-CB 4.17Å; F31-V163 HydrophobicContact CB-CG1 4.41Å; F31-V163 HydrophobicContact CD1-CG2 4.18Å; F31-V163 HydrophobicContact CD2-CB 4.49Å; F31-V163 HydrophobicContact CD2-CG1 3.91Å; F31-V163 HydrophobicContact CE1-CG2 4.44Å; F31-V163 HydrophobicContact CE2-CG1 4.41Å; F31-V163 HydrophobicContact CG-CG1 4.17Å; F31-V163 HydrophobicContact CG-CG2 4.24Å; F31-F166 HydrophobicContact CE2-CB 4.19Å; F31-F166 HydrophobicContact CZ-CB 3.77Å; F31-V189 HydrophobicContact CB-CG1 4.3Å
32F98Very high96.2Very high59 Ų5951.3 Ų51.326%0.25929%0.286SS..Iπ-helixtrans-68.6-35.6175.6-81.3-59.7000114.1T28 T29 L30 C36 P48 N51 A52T28-F32 HydrophobicContact CG2-CD2 3.71Å; T28-F32 HydrophobicContact CG2-CE2 3.45Å; T28-F32 VanDerWaalsContact CG2-CE2 3.45Å; T28-F32 WeakPolarHBondContact O-CD2 3.36Å; T28-F32 PolarHBondContact O-N 2.96Å; T29-F32 PolarHBondContact O-N 3.31Å; L30-F32 VanDerWaalsContact C-N 3.34Å; L30-F32 PolarHBondContact O-N 3.49Å; F32-C36 HydrophobicContact CD1-CB 4.07Å; F32-C36 WeakPolarHBondContact CD1-SG 3.28Å; F32-P48 HydrophobicContact CE1-CB 4.19Å; F32-N51 HydrophobicContact CE1-CB 4.32Å; F32-N51 HydrophobicContact CZ-CB 3.99Å; F32-A52 HydrophobicContact CE1-CB 4.25Å; F32-A52 HydrophobicContact CZ-CB 3.85Å
33A97.6Very high96Very high59 Ų5949.2 Ų49.249%0.48828%0.279SS..Iπ-helixtrans-79.3-38-17800000113.4T29 L30T29-A33 WeakPolarHBondContact O-CB 3.2Å; T29-A33 PolarHBondContact O-N 3.03Å; L30-A33 PolarHBondContact O-N 3.38Å
34F96Very high96Very high66 Ų6646.4 Ų46.429%0.28927%0.272SS..Iπ-helixtrans-108.8-35.5-170.7-67.4-89.7000114.1L30 V181 R182 V185L30-F34 HydrophobicContact CD2-CD2 4.09Å; L30-F34 HydrophobicContact CD2-CE2 3.8Å; L30-F34 WeakPolarHBondContact O-CD2 3.48Å; L30-F34 PolarHBondContact O-N 3.43Å; F34-V181 HydrophobicContact CE1-CG1 4.38Å; F34-R182 HydrophobicContact CD1-CG 4.33Å; F34-V185 HydrophobicContact CB-CB 4.26Å; F34-V185 HydrophobicContact CB-CG1 3.99Å; F34-V185 HydrophobicContact CD1-CB 4.26Å; F34-V185 HydrophobicContact CD1-CG1 4.38Å; F34-V185 HydrophobicContact CD1-CG2 4.31Å; F34-V185 HydrophobicContact CD2-CB 4.37Å; F34-V185 HydrophobicContact CD2-CG1 3.63Å; F34-V185 HydrophobicContact CE1-CG2 4.37Å; F34-V185 HydrophobicContact CE2-CG1 4.2Å; F34-V185 HydrophobicContact CG-CB 4.04Å; F34-V185 HydrophobicContact CG-CG1 3.73Å; F34-V185 HydrophobicContact CG-CG2 4.46Å
35T95.8Very high95.9Very high0 Ų049.1 Ų49.10%029%0.29CS..Iπ-helixtrans-96.9-45.4-173.6-38.40000112.4F31 P37 G38 L39 Y170 T186F31-T35 HydrophobicContact CD2-CG2 3.99Å; F31-T35 HydrophobicContact CE2-CG2 3.74Å; F31-T35 WeakPolarHBondContact O-CA 3.3Å; F31-T35 VanDerWaalsContact O-CB 3.3Å; F31-T35 WeakPolarHBondContact O-CB 3.49Å; F31-T35 PolarHBondContact O-N 2.95Å; F31-T35 VanDerWaalsContact O-N 3.07Å; T35-P37 VanDerWaalsContact C-CD 3.46Å; T35-G38 PolarHBondContact O-N 3.31Å; T35-L39 HydrophobicContact CG2-CD1 3.8Å; T35-L39 HydrophobicContact CG2-CG 4.39Å; T35-L39 WeakPolarHBondContact O-CG 3.34Å; T35-L39 PolarHBondContact O-N 2.85Å; T35-Y170 VanDerWaalsContact CG2-CB 3.5Å; T35-Y170 HydrophobicContact CG2-CD1 4.26Å; T35-Y170 HydrophobicContact CG2-CD2 3.89Å; T35-Y170 HydrophobicContact CG2-CG 3.61Å; T35-Y170 WeakPolarHBondContact O-CD2 3.23Å; T35-T186 HydrophobicContact CG2-CG2 3.56Å; T35-T186 PolarHBondContact OG1-OG1 3.34Å
36C96.1Very high95.8Very high5 Ų549 Ų493%0.03430%0.296CS..Hα-helixtrans-60.9-34.4-176.6-75.50000116F31 F32 G38 L39 S40 P48F31-C36 VanDerWaalsContact CD1-SG 3.58Å; F31-C36 WeakPolarHBondContact CE1-SG 3.42Å; F31-C36 PolarHBondContact O-N 2.86Å; F32-C36 HydrophobicContact CD1-CB 4.07Å; F32-C36 WeakPolarHBondContact CD1-SG 3.28Å; C36-G38 PolarHBondContact O-N 2.92Å; C36-L39 PolarHBondContact O-N 3.44Å; C36-S40 VanDerWaalsContact O-CB 3.31Å; C36-S40 WeakPolarHBondContact O-CB 3.47Å; C36-S40 PolarHBondContact O-N 2.93Å; C36-P48 HydrophobicContact CB-CB 4.11Å
37P95.6Very high95.7Very high63 Ų6348.1 Ų48.141%0.40928%0.284SS..Hα-helixtrans-61.7-45179.1-2535.9000112.2T35 S40 L41T35-P37 VanDerWaalsContact C-CD 3.46Å; P37-S40 PolarHBondContact O-N 3.07Å; P37-L41 WeakPolarHBondContact O-CG 3.5Å; P37-L41 PolarHBondContact O-N 2.92Å
38G92Very high95.7Very high11 Ų1148.3 Ų48.311%0.11328%0.283CS..Hα-helixtrans-65.3-45.8174.800000112.2T35 C36 S40 L41 Y42T35-G38 PolarHBondContact O-N 3.31Å; C36-G38 PolarHBondContact O-N 2.92Å; G38-S40 PolarHBondContact O-N 3.44Å; G38-L41 PolarHBondContact O-N 2.96Å; G38-L41 VanDerWaalsContact O-N 3.09Å; G38-Y42 WeakPolarHBondContact O-CD2 3.5Å; G38-Y42 PolarHBondContact O-N 3.22Å
39L93.9Very high95.6Very high2 Ų253 Ų531%0.0131%0.308CS..Hα-helixtrans-59.9-34.1176.2-69.9169.3000112.9F31 T35 C36 L41 V43 S44 V47 F166 L169 Y170F31-L39 HydrophobicContact CE2-CD1 4.37Å; F31-L39 HydrophobicContact CZ-CD1 4.06Å; T35-L39 HydrophobicContact CG2-CD1 3.8Å; T35-L39 HydrophobicContact CG2-CG 4.39Å; T35-L39 WeakPolarHBondContact O-CG 3.34Å; T35-L39 PolarHBondContact O-N 2.85Å; C36-L39 PolarHBondContact O-N 3.44Å; L39-L41 VanDerWaalsContact C-N 3.33Å; L39-V43 HydrophobicContact CD2-CG2 3.99Å; L39-V43 WeakPolarHBondContact O-CA 3.44Å; L39-V43 WeakPolarHBondContact O-CB 3.15Å; L39-V43 PolarHBondContact O-N 3.43Å; L39-S44 PolarHBondContact O-N 3.02Å; L39-V47 HydrophobicContact CB-CG1 4.33Å; L39-V47 HydrophobicContact CD1-CG1 4.12Å; L39-F166 HydrophobicContact CD1-CB 3.87Å; L39-L169 HydrophobicContact CD2-CD2 4.4Å; L39-L169 HydrophobicContact CD2-CG 4.45Å; L39-Y170 HydrophobicContact CG-CD2 4.39Å
40S95.4Very high95.6Very high41 Ų4154.2 Ų54.229%0.28730%0.304SS..Hα-helixtrans-70.7-27.1177.1-168.20000113.4C36 P37 G38 P45C36-S40 VanDerWaalsContact O-CB 3.31Å; C36-S40 WeakPolarHBondContact O-CB 3.47Å; C36-S40 PolarHBondContact O-N 2.93Å; P37-S40 PolarHBondContact O-N 3.07Å; G38-S40 PolarHBondContact O-N 3.44Å; S40-P45 WeakPolarHBondContact OG-CA 3.49Å
41L93.4Very high95.5Very high142 Ų14250.7 Ų50.774%0.74329%0.286SS*.Hα-helixtrans-91.1-44.5179.9-68.2173.1000112.4P37 G38 L39P37-L41 WeakPolarHBondContact O-CG 3.5Å; P37-L41 PolarHBondContact O-N 2.92Å; G38-L41 PolarHBondContact O-N 2.96Å; G38-L41 VanDerWaalsContact O-N 3.09Å; L39-L41 VanDerWaalsContact C-N 3.33Å
42Y90.7Very high95.5Very high123 Ų12352.1 Ų52.148%0.48230%0.298SS..Hα-helixtrans-93.6-19.3-173.1-55.8-59.5000114.4G38 Y173 H174G38-Y42 WeakPolarHBondContact O-CD2 3.5Å; G38-Y42 PolarHBondContact O-N 3.22Å; Y42-Y173 AromaticContact CD1-CE1 3.58Å; Y42-Y173 HydrophobicContact CD1-CE1 3.58Å; Y42-Y173 AromaticContact CD1-CZ 3.85Å; Y42-Y173 AromaticContact CD2-CD1 3.98Å; Y42-Y173 HydrophobicContact CD2-CD1 3.98Å; Y42-Y173 AromaticContact CD2-CE1 3.74Å; Y42-Y173 HydrophobicContact CD2-CE1 3.74Å; Y42-Y173 HydrophobicContact CE1-CE1 4.02Å; Y42-Y173 HydrophobicContact CE2-CD1 4.47Å; Y42-Y173 HydrophobicContact CE2-CE1 4.17Å; Y42-Y173 HydrophobicContact CG-CD1 4.05Å; Y42-Y173 AromaticContact CG-CE1 3.43Å; Y42-Y173 HydrophobicContact CG-CE1 3.43Å; Y42-Y173 VanDerWaalsContact CG-CE1 3.43Å; Y42-Y173 AromaticContact CG-CZ 3.88Å; Y42-H174 AromaticContact CD2-CE1 4Å; Y42-H174 AromaticContact CE2-CE1 3.9Å; Y42-H174 AromaticContact CE2-NE2 3.62Å
43V93.7Very high95.6Very high73 Ų7354.7 Ų54.744%0.44231%0.313SS..THydrogen-bonded Turntrans-121.4-69.9-176-173.10000111.6L39 V47 L169L39-V43 HydrophobicContact CD2-CG2 3.99Å; L39-V43 WeakPolarHBondContact O-CA 3.44Å; L39-V43 WeakPolarHBondContact O-CB 3.15Å; L39-V43 PolarHBondContact O-N 3.43Å; V43-V47 HydrophobicContact CG1-CG2 4.31Å; V43-L169 HydrophobicContact CG1-CD2 4.14Å; V43-L169 HydrophobicContact CG2-CD2 4.04Å; V43-L169 HydrophobicContact CG2-CG 4.47Å
44S95.8Very high95.6Very high43 Ų4353.6 Ų53.630%0.30130%0.299SS..  trans-173.5141.3174.6-174.80000112.3L39 A46 V47L39-S44 PolarHBondContact O-N 3.02Å; S44-A46 PolarHBondContact O-N 2.9Å; S44-A46 VanDerWaalsContact O-N 3.13Å; S44-A46 WeakPolarHBondContact OG-CB 3.44Å; S44-A46 PolarHBondContact OG-N 3.27Å; S44-A46 VanDerWaalsContact OG-N 3.11Å; S44-V47 WeakPolarHBondContact O-CB 3.26Å; S44-V47 PolarHBondContact O-N 3.18Å; S44-V47 VanDerWaalsContact O-N 3.08Å
45P95.9Very high95.7Very high77 Ų7751.8 Ų51.850%0.529%0.29SS..THydrogen-bonded Turntrans-62.3-14.1167.227.3-35.4000113.5S40 V47 P48 I49S40-P45 WeakPolarHBondContact OG-CA 3.49Å; P45-V47 PolarHBondContact O-N 3.39Å; P45-P48 WeakPolarHBondContact O-CD 3.32Å; P45-P48 WeakPolarHBondContact O-CG 3.37Å; P45-I49 WeakPolarHBondContact O-CD1 3.34Å; P45-I49 WeakPolarHBondContact O-CG1 3.46Å
46A96.1Very high95.9Very high57 Ų5756.9 Ų56.947%0.47132%0.317SS..Hα-helixtrans-64.7-26.6171.700000113S44 I49 Y50S44-A46 PolarHBondContact O-N 2.9Å; S44-A46 VanDerWaalsContact O-N 3.13Å; S44-A46 WeakPolarHBondContact OG-CB 3.44Å; S44-A46 PolarHBondContact OG-N 3.27Å; S44-A46 VanDerWaalsContact OG-N 3.11Å; A46-I49 PolarHBondContact O-N 3.2Å; A46-Y50 WeakPolarHBondContact O-CB 3.26Å; A46-Y50 PolarHBondContact O-N 3.25Å
47V95.6Very high96Very high12 Ų1261.2 Ų61.27%0.07334%0.336CS..Hα-helixtrans-64.5-55.2-179.1178.10000112.2L39 V43 S44 P45 I49 Y50 N51 F166L39-V47 HydrophobicContact CB-CG1 4.33Å; L39-V47 HydrophobicContact CD1-CG1 4.12Å; V43-V47 HydrophobicContact CG1-CG2 4.31Å; S44-V47 WeakPolarHBondContact O-CB 3.26Å; S44-V47 PolarHBondContact O-N 3.18Å; S44-V47 VanDerWaalsContact O-N 3.08Å; P45-V47 PolarHBondContact O-N 3.39Å; V47-I49 VanDerWaalsContact C-N 3.3Å; V47-I49 PolarHBondContact O-N 3.2Å; V47-Y50 PolarHBondContact O-N 3.13Å; V47-N51 PolarHBondContact O-N 2.94Å; V47-N51 VanDerWaalsContact O-N 3.11Å; V47-N51 PolarHBondContact O-ND2 2.84Å; V47-F166 HydrophobicContact CB-CE1 4.44Å; V47-F166 HydrophobicContact CG1-CB 4.32Å; V47-F166 HydrophobicContact CG1-CD1 3.57Å; V47-F166 HydrophobicContact CG1-CD2 3.94Å; V47-F166 HydrophobicContact CG1-CE1 3.74Å; V47-F166 HydrophobicContact CG1-CE2 4.1Å; V47-F166 HydrophobicContact CG1-CG 3.69Å; V47-F166 HydrophobicContact CG1-CZ 4.01Å; V47-F166 HydrophobicContact CG2-CD1 4.3Å; V47-F166 HydrophobicContact CG2-CE1 3.87Å; V47-F166 HydrophobicContact CG2-CZ 4.36Å
48P95.9Very high96.1Very high25 Ų2558.2 Ų58.216%0.16232%0.316CS..Hα-helixtrans-62.1-35.7174.821.7-32.2000112.7F32 C36 P45 N51 A52F32-P48 HydrophobicContact CE1-CB 4.19Å; C36-P48 HydrophobicContact CB-CB 4.11Å; P45-P48 WeakPolarHBondContact O-CD 3.32Å; P45-P48 WeakPolarHBondContact O-CG 3.37Å; P48-N51 PolarHBondContact O-N 3.17Å; P48-A52 VanDerWaalsContact O-CB 3.25Å; P48-A52 WeakPolarHBondContact O-CB 3.42Å; P48-A52 PolarHBondContact O-N 3.48Å
49I97.1Very high96.4Very high104 Ų10460.2 Ų60.253%0.53332%0.324SS..Hα-helixtrans-61.8-47.7177.5-65.3169.1000111.1P45 A46 V47 A52 I53P45-I49 WeakPolarHBondContact O-CD1 3.34Å; P45-I49 WeakPolarHBondContact O-CG1 3.46Å; A46-I49 PolarHBondContact O-N 3.2Å; V47-I49 VanDerWaalsContact C-N 3.3Å; V47-I49 PolarHBondContact O-N 3.2Å; I49-A52 PolarHBondContact O-N 3.49Å; I49-I53 HydrophobicContact CG2-CD1 3.91Å; I49-I53 WeakPolarHBondContact O-CG1 3.28Å; I49-I53 PolarHBondContact O-N 2.93Å
50Y96.9Very high96.7Very high101 Ų10162.6 Ų62.640%0.39634%0.344SS..Hα-helixtrans-58.4-49.8175.6166.4-96.1000111.9A46 V47 A52 I53 M54 F166A46-Y50 WeakPolarHBondContact O-CB 3.26Å; A46-Y50 PolarHBondContact O-N 3.25Å; V47-Y50 PolarHBondContact O-N 3.13Å; Y50-A52 VanDerWaalsContact C-N 3.26Å; Y50-A52 PolarHBondContact O-N 2.84Å; Y50-I53 PolarHBondContact O-N 3.28Å; Y50-M54 HydrophobicContact CE2-CE 4.05Å; Y50-M54 WeakPolarHBondContact O-CB 3.43Å; Y50-M54 PolarHBondContact O-N 3.44Å; Y50-F166 AromaticContact CD1-CE2 3.91Å; Y50-F166 HydrophobicContact CD1-CE2 3.91Å; Y50-F166 HydrophobicContact CE1-CE2 4.07Å
51N97Very high96.8Very high0 Ų061 Ų610%033%0.332CS..Hα-helixtrans-65.5-30.3-179.8-72.8-80000111.8F31 F32 V47 P48 F55 F166F31-N51 HydrophobicContact CE1-CB 4.17Å; F32-N51 HydrophobicContact CE1-CB 4.32Å; F32-N51 HydrophobicContact CZ-CB 3.99Å; V47-N51 PolarHBondContact O-N 2.94Å; V47-N51 VanDerWaalsContact O-N 3.11Å; V47-N51 PolarHBondContact O-ND2 2.84Å; P48-N51 PolarHBondContact O-N 3.17Å; N51-F55 VanDerWaalsContact O-CB 3.24Å; N51-F55 WeakPolarHBondContact O-CB 3.39Å; N51-F55 PolarHBondContact O-N 2.99Å; N51-F166 VanDerWaalsContact ND2-CD2 3.28Å; N51-F166 WeakPolarHBondContact ND2-CD2 3.32Å; N51-F166 WeakPolarHBondContact ND2-CE2 3.35Å
52A98Very high97Very high32 Ų3254.9 Ų54.926%0.26430%0.3SS..Hα-helixtrans-72.5-43.7178.300000111.5F32 P48 I49 Y50 M54 F55 L56F32-A52 HydrophobicContact CE1-CB 4.25Å; F32-A52 HydrophobicContact CZ-CB 3.85Å; P48-A52 VanDerWaalsContact O-CB 3.25Å; P48-A52 WeakPolarHBondContact O-CB 3.42Å; P48-A52 PolarHBondContact O-N 3.48Å; I49-A52 PolarHBondContact O-N 3.49Å; Y50-A52 VanDerWaalsContact C-N 3.26Å; Y50-A52 PolarHBondContact O-N 2.84Å; A52-M54 VanDerWaalsContact C-N 3.32Å; A52-M54 PolarHBondContact O-N 2.85Å; A52-F55 PolarHBondContact O-N 3.04Å; A52-L56 WeakPolarHBondContact O-CB 3.35Å; A52-L56 VanDerWaalsContact O-CG 3.26Å; A52-L56 WeakPolarHBondContact O-CG 3.25Å; A52-L56 PolarHBondContact O-N 3.09Å
53I98.4Very high97.4Very high113 Ų11351 Ų5158%0.57929%0.29SS*.Hα-helixtrans-60.4-44.5173.1-66.8166.2000110.1I49 Y50 F57I49-I53 HydrophobicContact CG2-CD1 3.91Å; I49-I53 WeakPolarHBondContact O-CG1 3.28Å; I49-I53 PolarHBondContact O-N 2.93Å; Y50-I53 PolarHBondContact O-N 3.28Å; I53-F57 WeakPolarHBondContact O-CB 3.47Å; I53-F57 PolarHBondContact O-N 2.92Å
54M98.4Very high97.6Very high36 Ų3650.8 Ų50.818%0.17729%0.285CS..Hα-helixtrans-63.9-48.8177.8-166.75961.200111.7Y50 A52 L56 F57 V58 A158 H159Y50-M54 HydrophobicContact CE2-CE 4.05Å; Y50-M54 WeakPolarHBondContact O-CB 3.43Å; Y50-M54 PolarHBondContact O-N 3.44Å; A52-M54 VanDerWaalsContact C-N 3.32Å; A52-M54 PolarHBondContact O-N 2.85Å; M54-L56 PolarHBondContact O-N 2.8Å; M54-F57 PolarHBondContact O-N 3.33Å; M54-F57 VanDerWaalsContact O-N 3.14Å; M54-V58 WeakPolarHBondContact O-CG2 3.34Å; M54-V58 PolarHBondContact O-N 2.97Å; M54-A158 HydrophobicContact CE-CB 4.47Å; M54-A158 HydrophobicContact SD-CB 4.23Å; M54-H159 HydrophobicContact CG-CB 3.91Å
55F98.4Very high97.7Very high27 Ų2748.8 Ų48.812%0.11827%0.271CS..Hα-helixtrans-57.4-46.5177.2173.4-115.8000112.7L24 V25 T28 N51 A52 F57 V58 L59L24-F55 HydrophobicContact CD1-CD2 4.38Å; L24-F55 HydrophobicContact CD1-CE2 4.31Å; L24-F55 HydrophobicContact CG-CE2 4.25Å; V25-F55 HydrophobicContact CG1-CZ 4.48Å; V25-F55 HydrophobicContact CG2-CZ 4.22Å; T28-F55 HydrophobicContact CG2-CB 4.04Å; T28-F55 HydrophobicContact CG2-CD1 4.24Å; T28-F55 HydrophobicContact CG2-CD2 3.5Å; T28-F55 HydrophobicContact CG2-CE2 3.94Å; T28-F55 HydrophobicContact CG2-CG 3.66Å; T28-F55 HydrophobicContact CG2-CZ 4.48Å; N51-F55 VanDerWaalsContact O-CB 3.24Å; N51-F55 WeakPolarHBondContact O-CB 3.39Å; N51-F55 PolarHBondContact O-N 2.99Å; A52-F55 PolarHBondContact O-N 3.04Å; F55-F57 VanDerWaalsContact C-N 3.3Å; F55-F57 PolarHBondContact O-N 3.25Å; F55-V58 PolarHBondContact O-N 3.3Å; F55-L59 HydrophobicContact CE1-CD2 4.37Å; F55-L59 HydrophobicContact CZ-CD2 4.3Å; F55-L59 WeakPolarHBondContact O-CB 3.3Å; F55-L59 PolarHBondContact O-N 3.3Å
56L98.6Very high97.7Very high108 Ų10845.9 Ų45.957%0.56525%0.252SS*.Hα-helixtrans-62.6-37.7177.1-71.3171.6000111.6A52 M54 A60A52-L56 WeakPolarHBondContact O-CB 3.35Å; A52-L56 VanDerWaalsContact O-CG 3.26Å; A52-L56 WeakPolarHBondContact O-CG 3.25Å; A52-L56 PolarHBondContact O-N 3.09Å; M54-L56 PolarHBondContact O-N 2.8Å; L56-A60 VanDerWaalsContact O-CB 3.26Å; L56-A60 WeakPolarHBondContact O-CB 3.42Å; L56-A60 PolarHBondContact O-N 2.78Å
57F98.6Very high97.7Very high95 Ų9551.2 Ų51.242%0.41727%0.265SS..Hα-helixtrans-68.3-41.1174.8-172.7-104.4000112.4I53 M54 F55 N61 L151I53-F57 WeakPolarHBondContact O-CB 3.47Å; I53-F57 PolarHBondContact O-N 2.92Å; M54-F57 PolarHBondContact O-N 3.33Å; M54-F57 VanDerWaalsContact O-N 3.14Å; F55-F57 VanDerWaalsContact C-N 3.3Å; F55-F57 PolarHBondContact O-N 3.25Å; F57-N61 VanDerWaalsContact CE1-ND2 3.32Å; F57-N61 WeakPolarHBondContact CE1-ND2 3.46Å; F57-N61 WeakPolarHBondContact CE2-ND2 3.41Å; F57-N61 VanDerWaalsContact CZ-ND2 3.26Å; F57-N61 WeakPolarHBondContact CZ-ND2 3.44Å; F57-N61 PolarHBondContact O-N 2.86Å; F57-N61 PolarHBondContact O-ND2 3.14Å; F57-L151 HydrophobicContact CZ-CB 4.45Å; F57-L151 HydrophobicContact CZ-CD1 4.43Å; F57-L151 HydrophobicContact CZ-CD2 4.33Å
58V98.8Very high97.7Very high0 Ų051.8 Ų51.80%027%0.267CS..Hα-helixtrans-60.3-49.7172.7177.20000110.5L24 M54 F55 A60 N61 F62 F152 S155 L156 H159L24-V58 HydrophobicContact CD1-CG1 3.83Å; L24-V58 HydrophobicContact CD2-CG1 3.91Å; M54-V58 WeakPolarHBondContact O-CG2 3.34Å; M54-V58 PolarHBondContact O-N 2.97Å; F55-V58 PolarHBondContact O-N 3.3Å; V58-A60 PolarHBondContact O-N 3.25Å; V58-N61 PolarHBondContact O-N 3.41Å; V58-F62 VanDerWaalsContact O-CB 3.29Å; V58-F62 WeakPolarHBondContact O-CB 3.46Å; V58-F62 PolarHBondContact O-N 2.93Å; V58-F152 HydrophobicContact CG1-CD2 3.98Å; V58-F152 HydrophobicContact CG1-CE2 4.01Å; V58-S155 VanDerWaalsContact CG2-C 3.44Å; V58-S155 WeakPolarHBondContact CG2-O 3.29Å; V58-L156 HydrophobicContact CG1-CB 4.19Å; V58-L156 HydrophobicContact CG1-CD1 4.03Å; V58-H159 HydrophobicContact CG2-CB 3.92Å
59L98.5Very high97.7Very high54 Ų5451.7 Ų51.728%0.28327%0.265SS..Hα-helixtrans-63-39.8-178.4-176.962.1000112.1F55 S63F55-L59 HydrophobicContact CE1-CD2 4.37Å; F55-L59 HydrophobicContact CZ-CD2 4.3Å; F55-L59 WeakPolarHBondContact O-CB 3.3Å; F55-L59 PolarHBondContact O-N 3.3Å; L59-S63 VanDerWaalsContact O-CB 3.3Å; L59-S63 WeakPolarHBondContact O-CB 3.24Å; L59-S63 PolarHBondContact O-N 2.99Å; L59-S63 PolarHBondContact O-OG 3.48Å
60A98.4Very high97.6Very high51 Ų5146.9 Ų46.942%0.42124%0.241SC..Hα-helixtrans-64.6-46174.800000112L56 V58 S63 M64L56-A60 VanDerWaalsContact O-CB 3.26Å; L56-A60 WeakPolarHBondContact O-CB 3.42Å; L56-A60 PolarHBondContact O-N 2.78Å; V58-A60 PolarHBondContact O-N 3.25Å; A60-S63 PolarHBondContact O-N 3.19Å; A60-M64 WeakPolarHBondContact O-CB 3.37Å; A60-M64 WeakPolarHBondContact O-CG 3.38Å; A60-M64 PolarHBondContact O-N 3.13Å
61N98.5Very high97.6Very high8 Ų842 Ų424%0.04322%0.222CC..Hα-helixtrans-69-37.8178.5-76.1-75000112.4F57 V58 M64 A65 Y148 L151 F152F57-N61 VanDerWaalsContact CE1-ND2 3.32Å; F57-N61 WeakPolarHBondContact CE1-ND2 3.46Å; F57-N61 WeakPolarHBondContact CE2-ND2 3.41Å; F57-N61 VanDerWaalsContact CZ-ND2 3.26Å; F57-N61 WeakPolarHBondContact CZ-ND2 3.44Å; F57-N61 PolarHBondContact O-N 2.86Å; F57-N61 PolarHBondContact O-ND2 3.14Å; V58-N61 PolarHBondContact O-N 3.41Å; N61-M64 PolarHBondContact O-N 3.49Å; N61-A65 WeakPolarHBondContact O-CB 3.43Å; N61-A65 PolarHBondContact O-N 2.79Å; N61-Y148 WeakPolarHBondContact OD1-CD1 3.31Å; N61-L151 WeakPolarHBondContact OD1-CB 3.26Å; N61-F152 HydrophobicContact CB-CB 3.82Å
62F98.5Very high97.5Very high14 Ų1443.5 Ų43.56%0.06123%0.229CC..Hα-helixtrans-59.2-47.8171.3176.1-107.4000111.8V17 A20 A21 L24 V58 M64 A65 T66 V137 F152V17-F62 HydrophobicContact CG2-CZ 3.87Å; A20-F62 HydrophobicContact CB-CE2 4.24Å; A20-F62 HydrophobicContact CB-CZ 4.32Å; A21-F62 HydrophobicContact CB-CE1 4.1Å; A21-F62 HydrophobicContact CB-CZ 4.29Å; L24-F62 HydrophobicContact CD2-CG 4.46Å; V58-F62 VanDerWaalsContact O-CB 3.29Å; V58-F62 WeakPolarHBondContact O-CB 3.46Å; V58-F62 PolarHBondContact O-N 2.93Å; F62-M64 PolarHBondContact O-N 3.47Å; F62-A65 PolarHBondContact O-N 3.28Å; F62-T66 WeakPolarHBondContact O-CB 3.28Å; F62-T66 PolarHBondContact O-N 3.31Å; F62-T66 PolarHBondContact O-OG1 3.02Å; F62-V137 HydrophobicContact CD2-CG1 3.94Å; F62-V137 HydrophobicContact CE2-CG1 3.89Å; F62-F152 HydrophobicContact CB-CD2 3.7Å; F62-F152 HydrophobicContact CB-CE2 3.75Å; F62-F152 HydrophobicContact CB-CG 4.49Å; F62-F152 HydrophobicContact CD2-CD2 4.3Å; F62-F152 HydrophobicContact CD2-CE1 4.33Å; F62-F152 AromaticContact CD2-CE2 3.67Å; F62-F152 HydrophobicContact CD2-CE2 3.67Å; F62-F152 AromaticContact CD2-CZ 3.67Å; F62-F152 HydrophobicContact CD2-CZ 3.67Å; F62-F152 HydrophobicContact CE2-CZ 4.4Å; F62-F152 HydrophobicContact CG-CD2 4.49Å; F62-F152 HydrophobicContact CG-CE2 4.1Å
63S98.3Very high97.2Very high41 Ų4143.2 Ų43.229%0.28722%0.222SC..Hα-helixtrans-62.2-43.1177.4-58.80000111.4L59 A60 T66 F67L59-S63 VanDerWaalsContact O-CB 3.3Å; L59-S63 WeakPolarHBondContact O-CB 3.24Å; L59-S63 PolarHBondContact O-N 2.99Å; L59-S63 PolarHBondContact O-OG 3.48Å; A60-S63 PolarHBondContact O-N 3.19Å; S63-T66 PolarHBondContact O-N 2.73Å; S63-F67 WeakPolarHBondContact O-CD2 3.34Å; S63-F67 PolarHBondContact O-N 2.97Å
64M97.6Very high96.9Very high69 Ų6940.8 Ų40.834%0.3421%0.214SC..Hα-helixtrans-68.3-36.8176.8-71.4-59.6-62.900112.8A60 N61 F62 T66 M68 Y148A60-M64 WeakPolarHBondContact O-CB 3.37Å; A60-M64 WeakPolarHBondContact O-CG 3.38Å; A60-M64 PolarHBondContact O-N 3.13Å; N61-M64 PolarHBondContact O-N 3.49Å; F62-M64 PolarHBondContact O-N 3.47Å; M64-T66 VanDerWaalsContact C-N 3.34Å; M64-M68 HydrophobicContact CE-CB 4.29Å; M64-M68 HydrophobicContact CE-CG 4.29Å; M64-M68 HydrophobicContact CE-SD 3.8Å; M64-M68 WeakPolarHBondContact O-CB 3.27Å; M64-M68 PolarHBondContact O-N 2.8Å; M64-Y148 HydrophobicContact CB-CD1 3.46Å; M64-Y148 VanDerWaalsContact CB-CD1 3.46Å; M64-Y148 HydrophobicContact CB-CD2 4Å; M64-Y148 HydrophobicContact CB-CE1 3.92Å; M64-Y148 HydrophobicContact CB-CE2 4.43Å; M64-Y148 HydrophobicContact CB-CG 3.48Å; M64-Y148 VanDerWaalsContact CB-CG 3.48Å; M64-Y148 HydrophobicContact CE-CD2 4.36Å; M64-Y148 HydrophobicContact CE-CE1 4.18Å; M64-Y148 HydrophobicContact CE-CE2 3.78Å; M64-Y148 HydrophobicContact CG-CD1 3.84Å; M64-Y148 HydrophobicContact CG-CE1 3.81Å; M64-Y148 HydrophobicContact CG-CG 4.31Å
65A97.4Very high96.4Very high0 Ų044 Ų440%022%0.224CC..Hα-helixtrans-64.3-40.2172.700000111.9N61 F62 V137 N139 N145 F149N61-A65 WeakPolarHBondContact O-CB 3.43Å; N61-A65 PolarHBondContact O-N 2.79Å; F62-A65 PolarHBondContact O-N 3.28Å; A65-V137 HydrophobicContact CB-CG1 4.16Å; A65-N139 PolarHBondContact O-ND2 2.64Å; A65-N145 PolarHBondContact O-ND2 3.36Å; A65-F149 HydrophobicContact CB-CB 4.24Å
66T97.3Very high95.6Very high17 Ų1743.6 Ų43.610%0.10423%0.226CC..Hα-helixtrans-69.5-52.3-179.3-58.10000112.7V17 F62 S63 M64 V137 N139V17-T66 HydrophobicContact CG2-CG2 4.19Å; F62-T66 WeakPolarHBondContact O-CB 3.28Å; F62-T66 PolarHBondContact O-N 3.31Å; F62-T66 PolarHBondContact O-OG1 3.02Å; S63-T66 PolarHBondContact O-N 2.73Å; M64-T66 VanDerWaalsContact C-N 3.34Å; T66-V137 WeakPolarHBondContact CG2-O 3.44Å; T66-V137 WeakPolarHBondContact OG1-CB 3.43Å; T66-N139 PolarHBondContact O-ND2 2.91Å; T66-N139 VanDerWaalsContact O-ND2 3.15Å
67F96.6Very high94.4Very high169 Ų16945.6 Ų45.674%0.74123%0.232SC*.Hα-helixtrans-102.1-9.8-166.9-57.5-63.5000115.3S63S63-F67 WeakPolarHBondContact O-CD2 3.34Å; S63-F67 PolarHBondContact O-N 2.97Å
68M94.8Very high92.6Very high23 Ų2346.4 Ų46.411%0.11324%0.237CC..SBendtrans-79.7132.3177.6-168.6-179.3-172.300111.2M64 P70 N139 R144 N145 Y148M64-M68 HydrophobicContact CE-CB 4.29Å; M64-M68 HydrophobicContact CE-CG 4.29Å; M64-M68 HydrophobicContact CE-SD 3.8Å; M64-M68 WeakPolarHBondContact O-CB 3.27Å; M64-M68 PolarHBondContact O-N 2.8Å; M68-P70 WeakPolarHBondContact O-CD 2.96Å; M68-N139 PolarHBondContact O-ND2 3.42Å; M68-R144 HydrophobicContact CE-CB 4.17Å; M68-N145 HydrophobicContact CB-CB 4.14Å; M68-N145 HydrophobicContact CG-CB 4.4Å; M68-N145 HydrophobicContact SD-CB 4.18Å; M68-Y148 HydrophobicContact CE-CE2 4.13Å; M68-Y148 HydrophobicContact SD-CD2 3.71Å; M68-Y148 HydrophobicContact SD-CE2 3.5Å; M68-Y148 VanDerWaalsContact SD-CE2 3.5Å
69D95.8Very high90.6Very high23 Ų2352.2 Ų52.212%0.12327%0.268CS..  trans-50.6122164.815546.3000109.8G71 I72 R144 R251D69-G71 VanDerWaalsContact C-N 3.31Å; D69-G71 PolarHBondContact O-N 3.49Å; D69-G71 PolarHBondContact OD1-N 3.18Å; D69-I72 PolarHBondContact OD1-N 3.32Å; D69-R144 WeakPolarHBondContact O-CB 3.21Å; D69-R144 WeakPolarHBondContact O-CD 3.3Å; D69-R144 PolarHBondContact O-NE 3.3Å; D69-R144 WeakPolarHBondContact OD2-CD 3.5Å; D69-R144 IonicContact OD2-CZ 2.72Å; D69-R144 IonicContact OD2-NE 3.55Å; D69-R144 PolarHBondContact OD2-NE 2.8Å; D69-R251 WeakPolarHBondContact OD2-CG 3.48Å
70P95.9Very high88.6Confident3 Ų355.5 Ų55.52%0.01928%0.282CS..  trans-76.5-14-174.831.7-37.2000114.1M68 I72 V127 C140 G142 R143 R144 N145M68-P70 WeakPolarHBondContact O-CD 2.96Å; P70-I72 HydrophobicContact CG-CG1 4.12Å; P70-V127 HydrophobicContact CB-CG1 3.97Å; P70-V127 HydrophobicContact CG-CG1 4.06Å; P70-V127 HydrophobicContact CG-CG2 4.25Å; P70-C140 HydrophobicContact CB-CB 4.3Å; P70-C140 WeakPolarHBondContact CB-O 3.33Å; P70-C140 HydrophobicContact CG-CB 4.02Å; P70-G142 CarbonylContact O-C 3.3Å; P70-R143 PolarHBondContact O-N 2.85Å; P70-R143 VanDerWaalsContact O-N 3.15Å; P70-R144 WeakPolarHBondContact O-CB 3.43Å; P70-R144 PolarHBondContact O-N 3.47Å; P70-N145 WeakPolarHBondContact CB-OD1 3.17Å
71G95.1Very high86.4Confident0 Ų055 Ų550%027%0.273CS..  trans124.544.6-173.300000111.4D69 F73 V127 E128D69-G71 VanDerWaalsContact C-N 3.31Å; D69-G71 PolarHBondContact O-N 3.49Å; D69-G71 PolarHBondContact OD1-N 3.18Å; G71-F73 PolarHBondContact O-N 3.48Å; G71-V127 WeakPolarHBondContact O-CA 3.47Å; G71-E128 PolarHBondContact O-N 3.5Å
72I95.3Very high84.3Confident30 Ų3060.8 Ų60.815%0.15430%0.298CS..BIsolated β-bridgetrans-70.8122.5179.3-62.9170.2000109.3D69 P70 N125 C126 V127 L253D69-I72 PolarHBondContact OD1-N 3.32Å; P70-I72 HydrophobicContact CG-CG1 4.12Å; I72-N125 HydrophobicContact CD1-CB 4.45Å; I72-N125 HydrophobicContact CG1-CB 4.32Å; I72-N125 HydrophobicContact CG2-CB 3.97Å; I72-N125 WeakPolarHBondContact CG2-OD1 3.42Å; I72-C126 WeakPolarHBondContact CA-O 3.4Å; I72-V127 HydrophobicContact CG1-CG2 4.27Å; I72-L253 HydrophobicContact CB-CD1 4.01Å; I72-L253 HydrophobicContact CG2-CD1 3.78Å; I72-L253 HydrophobicContact CG2-CG 4.4Å
73F93.1Very high82Confident26 Ų2668.8 Ų68.811%0.11434%0.335CS..PPolyproline II helixtrans-75.6144.3167.7-75-71.7000110.4G71 F111 P114 C117 C126 E128 Y252G71-F73 PolarHBondContact O-N 3.48Å; F73-F111 HydrophobicContact CB-CE1 4.04Å; F73-F111 HydrophobicContact CB-CE2 4.43Å; F73-F111 HydrophobicContact CB-CZ 3.57Å; F73-F111 HydrophobicContact CD2-CE2 4.48Å; F73-F111 HydrophobicContact CD2-CZ 4.21Å; F73-F111 HydrophobicContact CG-CE2 4.5Å; F73-F111 HydrophobicContact CG-CZ 4.06Å; F73-P114 HydrophobicContact CE2-CG 4.25Å; F73-P114 HydrophobicContact CZ-CG 4.09Å; F73-C117 HydrophobicContact CE2-CB 4.23Å; F73-C126 PolarHBondContact N-O 2.93Å; F73-E128 HydrophobicContact CD2-CB 4.45Å; F73-E128 HydrophobicContact CE2-CB 3.65Å; F73-E128 HydrophobicContact CE2-CG 4.07Å; F73-E128 HydrophobicContact CZ-CB 3.95Å; F73-E128 HydrophobicContact CZ-CG 3.96Å; F73-Y252 HydrophobicContact CD1-CD1 4.38Å; F73-Y252 HydrophobicContact CD1-CD2 4.11Å; F73-Y252 HydrophobicContact CD1-CE1 4.46Å; F73-Y252 HydrophobicContact CD1-CE2 4.21Å; F73-Y252 HydrophobicContact CD1-CG 4.21Å; F73-Y252 HydrophobicContact CE1-CD1 4.37Å; F73-Y252 HydrophobicContact CE1-CD2 4.27Å; F73-Y252 HydrophobicContact CE1-CE1 4.01Å; F73-Y252 AromaticContact CE1-CE2 3.92Å; F73-Y252 HydrophobicContact CE1-CE2 3.92Å; F73-Y252 AromaticContact CE1-CZ 3.77Å; F73-Y252 HydrophobicContact CZ-CE2 4.36Å
74P90.9Very high80Confident63 Ų6371.9 Ų71.941%0.40935%0.348SS..PPolyproline II helixtrans-59.1156.1166.829.3-36.4000110.5F111 L253P74-F111 VanDerWaalsContact O-CE1 3.25Å; P74-F111 WeakPolarHBondContact O-CE1 3.29Å; P74-L253 HydrophobicContact CB-CD2 4.16Å
75R88.9Confident77.9Confident102 Ų10274.6 Ų74.639%0.38536%0.364SS..PPolyproline II helixtrans-80.6152.3164.5-54.1-171.2-176.1-161.413108.2T108 C109 D124R75-T108 PolarHBondContact NH1-O 2.8Å; R75-C109 VanDerWaalsContact CA-O 3.27Å; R75-C109 WeakPolarHBondContact CA-O 3.33Å; R75-C109 WeakPolarHBondContact CB-O 3.46Å; R75-C109 HydrophobicContact CG-CB 4.08Å; R75-D124 IonicContact CZ-OD2 2.69Å; R75-D124 IonicContact NH1-OD2 3.49Å; R75-D124 PolarHBondContact NH2-O 3.4Å; R75-D124 IonicContact NH2-OD1 3.4Å; R75-D124 PolarHBondContact NH2-OD1 3.26Å; R75-D124 IonicContact NH2-OD2 2.77Å; R75-D124 PolarHBondContact NH2-OD2 3.46Å
76A81.5Confident75.7Confident20 Ų2084.1 Ų84.117%0.16541%0.406CS..PPolyproline II helixtrans-66.7152.1170.500000110.7C109 R110A76-C109 PolarHBondContact N-O 2.84Å; A76-C109 VanDerWaalsContact N-O 3.1Å; A76-R110 HydrophobicContact CB-CB 4.11Å; A76-R110 WeakPolarHBondContact CB-O 3.44Å
77E72.4Confident73.8Confident149 Ų14994.1 Ų94.170%0.69644%0.442SS*.PPolyproline II helixtrans-82.3145.6173.9-66179.9-178.800109D79 E80E77-D79 PolarHBondContact O-N 2.78Å; E77-E80 PolarHBondContact O-N 2.85Å
78E60.8Low72Confident112 Ų11287.9 Ų87.952%0.52342%0.421SS..THydrogen-bonded Turntrans-66.8-2.1-168.8-70.5-176174.400114.8K82 R110E78-K82 WeakPolarHBondContact O-CD 3.31Å; E78-K82 WeakPolarHBondContact O-CE 3.27Å; E78-K82 WeakPolarHBondContact O-CG 3.36Å; E78-K82 PolarHBondContact O-NZ 2.9Å; E78-R110 IonicContact OE1-CZ 3.6Å; E78-R110 IonicContact OE1-NH1 3.52Å; E78-R110 PolarHBondContact OE1-NH1 3.33Å; E78-R110 IonicContact OE1-NH2 3.16Å; E78-R110 PolarHBondContact OE1-NH2 2.72Å
79D56.7Low70.2Confident122 Ų12290.9 Ų90.965%0.65244%0.443SS*.THydrogen-bonded Turntrans-100.7-12176.7-60.1-50.5000113.4E77 K82E77-D79 PolarHBondContact O-N 2.78Å; D79-K82 IonicContact OD1-NZ 3.13Å; D79-K82 PolarHBondContact OD1-NZ 2.91Å
80E56.7Low68.6Low124 Ų12494.8 Ų94.858%0.57946%0.463SS*.THydrogen-bonded Turntrans-81.1-24.5170.3-69.7-164.6147.100112.5E77E77-E80 PolarHBondContact O-N 2.85Å
81D53.5Low67.2Low41 Ų4198.2 Ų98.222%0.21948%0.476CS..SBendtrans-89.6-8.7-175.2-66.6-61000114.8W105 R110D81-W105 WeakPolarHBondContact OD1-CH2 3.2Å; D81-R110 WeakPolarHBondContact OD2-CB 3.26Å; D81-R110 WeakPolarHBondContact OD2-CD 3.37Å
82K52.7Low66.4Low129 Ų129104 Ų10456%0.56150%0.501SS*.SBendtrans-77.6-21.9-168.1-79.6169.5-177159.20115.4E78 D79E78-K82 WeakPolarHBondContact O-CD 3.31Å; E78-K82 WeakPolarHBondContact O-CE 3.27Å; E78-K82 WeakPolarHBondContact O-CG 3.36Å; E78-K82 PolarHBondContact O-NZ 2.9Å; D79-K82 IonicContact OD1-NZ 3.13Å; D79-K82 PolarHBondContact OD1-NZ 2.91Å
83E51.7Low65.4Low181 Ų181106.6 Ų106.685%0.84652%0.519SS*.SBendtrans-90.1-17.1177.1-59.4-68.7145.500112.2D85E83-D85 PolarHBondContact O-N 2.93Å
84D55.1Low64.8Low106 Ų106108 Ų10857%0.56753%0.53SS*.SBendtrans-86.749.6-176.2-129.57.1000110.8
85D54.6Low64.3Low127 Ų127111.3 Ų111.368%0.67954%0.539SS*.THydrogen-bonded Turntrans-65.6131.8-155.7-1606000114.8E83 R87E83-D85 PolarHBondContact O-N 2.93Å; D85-R87 PolarHBondContact O-N 3.26Å
86F51.5Low63.8Low200 Ų200107.3 Ų107.388%0.87753%0.526SS*.THydrogen-bonded Turntrans46.7-1.8167-118.5-92.9000122
87R57.4Low63.7Low226 Ų226113 Ų11385%0.85355%0.546SS*.THydrogen-bonded Turntrans-145.316.3-176.6-122.5178.1-172.3113.1-2.6117.9D85 P89D85-R87 PolarHBondContact O-N 3.26Å; R87-P89 WeakPolarHBondContact O-CD 3.17Å; R87-P89 VanDerWaalsContact O-N 3.08Å
88A56.9Low63.7Low38 Ų38108.6 Ų108.631%0.31454%0.541SS..  trans-41.3113.9172.100000112L90A88-L90 PolarHBondContact O-N 3.48Å
89P57.9Low64.6Low87 Ų87106 Ų10657%0.56553%0.53SS*.  trans-57.1129.8-172.7-28.134.9000111.4R87 Y91 Y112R87-P89 WeakPolarHBondContact O-CD 3.17Å; R87-P89 VanDerWaalsContact O-N 3.08Å; P89-Y91 PolarHBondContact O-N 2.93Å; P89-Y112 WeakPolarHBondContact O-CE1 3.33Å; P89-Y112 VanDerWaalsContact O-CZ 3.3Å; P89-Y112 PolarHBondContact O-OH 2.86Å
90L62.6Low65.7Low104 Ų104106.9 Ų106.955%0.54553%0.531SS..SBendtrans-53.7-18.8-176-179.157.8000113.9A88 W105A88-L90 PolarHBondContact O-N 3.48Å; L90-W105 HydrophobicContact CD1-CB 4.4Å; L90-W105 PolarHBondContact O-N 2.74Å; L90-W105 VanDerWaalsContact O-N 3.15Å
91Y66.1Low66.8Low76 Ų76102.3 Ų102.330%0.29851%0.511SS..EExtended strand (participates in β ladder)trans-136.8136-178.9-57.3-80.8000112.3P89 R102 M103 K104P89-Y91 PolarHBondContact O-N 2.93Å; Y91-R102 HydrophobicContact CD1-CG 3.69Å; Y91-R102 VanDerWaalsContact CD2-CZ 3.41Å; Y91-R102 HydrophobicContact CG-CG 4.03Å; Y91-R102 VanDerWaalsContact CG-CZ 3.43Å; Y91-M103 VanDerWaalsContact CA-O 3.3Å; Y91-M103 WeakPolarHBondContact CA-O 3.24Å; Y91-K104 HydrophobicContact CD1-CB 4.45Å; Y91-K104 HydrophobicContact CD1-CD 4.39Å; Y91-K104 HydrophobicContact CD1-CG 3.86Å; Y91-K104 HydrophobicContact CE1-CB 4.48Å; Y91-K104 HydrophobicContact CE1-CD 3.73Å; Y91-K104 HydrophobicContact CE1-CG 3.73Å
92K77.3Confident68.1Low120 Ų120107.8 Ų107.852%0.52253%0.529SS..EExtended strand (participates in β ladder)trans-119128.4169.5-172.9166.4-173.6162.70108.2M103 Y112K92-M103 PolarHBondContact N-O 2.87Å; K92-M103 WeakPolarHBondContact O-CA 3.43Å; K92-M103 WeakPolarHBondContact O-CB 3.39Å; K92-M103 PolarHBondContact O-N 2.81Å; K92-Y112 HydrophobicContact CB-CD1 3.94Å; K92-Y112 HydrophobicContact CB-CE1 3.95Å
93T75.6Confident69.7Low85 Ų85103 Ų10352%0.52151%0.508SS..EExtended strand (participates in β ladder)trans-86.9139.4174.436.80000110.3R102T93-R102 HydrophobicContact CG2-CG 4.47Å
94V79.5Confident71.3Confident57 Ų5799.1 Ų99.135%0.34549%0.489SS..EExtended strand (participates in β ladder)trans-134.1129.5172172.90000107.9V101 M103V94-V101 PolarHBondContact N-O 3.44Å; V94-V101 PolarHBondContact O-N 3.46Å; V94-M103 HydrophobicContact CB-SD 4.16Å; V94-M103 HydrophobicContact CG2-SD 3.48Å; V94-M103 WeakPolarHBondContact CG2-SD 3.06Å
95E80.2Confident72.9Confident131 Ų13197 Ų9761%0.61247%0.473SS*.EExtended strand (participates in β ladder)trans-80.3136.2178.5-159.2-162.311300111.6G98E95-G98 WeakPolarHBondContact OE1-CA 3.17Å; E95-G98 PolarHBondContact OE1-N 2.89Å; E95-G98 VanDerWaalsContact OE1-N 3.1Å
96I78.9Confident74.6Confident19 Ų1991.1 Ų91.110%0.09744%0.442CS..EExtended strand (participates in β ladder)trans-134.1108.3178.9-51-179.9000107.9G98 I99 V101 P115 P231 F232I96-G98 PolarHBondContact O-N 3.34Å; I96-I99 PolarHBondContact N-O 3.29Å; I96-I99 PolarHBondContact O-N 2.94Å; I96-I99 VanDerWaalsContact O-N 3.09Å; I96-V101 HydrophobicContact CB-CG2 4.44Å; I96-V101 HydrophobicContact CD1-CB 3.97Å; I96-V101 HydrophobicContact CD1-CG1 4.43Å; I96-V101 HydrophobicContact CD1-CG2 3.79Å; I96-V101 HydrophobicContact CG1-CB 4.43Å; I96-V101 HydrophobicContact CG1-CG2 4.16Å; I96-P115 HydrophobicContact CD1-CB 3.62Å; I96-P115 HydrophobicContact CD1-CG 3.53Å; I96-P231 HydrophobicContact CG2-CB 4.29Å; I96-F232 HydrophobicContact CD1-CE1 3.98Å; I96-F232 HydrophobicContact CD1-CZ 3.71Å; I96-F232 HydrophobicContact CG2-CE1 4.17Å
97K79.4Confident76.4Confident138 Ų13885.3 Ų85.360%0.643%0.431SS*.THydrogen-bonded Turntrans51.947.6-176.2-54-179.6-176170.80113I99 P231 N234K97-I99 VanDerWaalsContact C-N 3.29Å; K97-I99 PolarHBondContact O-N 3.42Å; K97-P231 WeakPolarHBondContact CD-O 3.28Å; K97-P231 VanDerWaalsContact CE-O 3.23Å; K97-P231 WeakPolarHBondContact CE-O 3.38Å; K97-P231 PolarHBondContact NZ-O 3.11Å; K97-N234 PolarHBondContact NZ-OD1 3.44Å
98G73.4Confident77.9Confident57 Ų5777.7 Ų77.759%0.58841%0.41SS*.THydrogen-bonded Turntrans81-3.3-177.500000115.6E95 I96E95-G98 WeakPolarHBondContact OE1-CA 3.17Å; E95-G98 PolarHBondContact OE1-N 2.89Å; E95-G98 VanDerWaalsContact OE1-N 3.1Å; I96-G98 PolarHBondContact O-N 3.34Å
99I79.8Confident79.4Confident58 Ų5876 Ų7630%0.29740%0.395SS..EExtended strand (participates in β ladder)trans-111.3119.7-177.3-56.6-174.3000110.1I96 K97 V101 V229 P231I96-I99 PolarHBondContact N-O 3.29Å; I96-I99 PolarHBondContact O-N 2.94Å; I96-I99 VanDerWaalsContact O-N 3.09Å; K97-I99 VanDerWaalsContact C-N 3.29Å; K97-I99 PolarHBondContact O-N 3.42Å; I99-V101 PolarHBondContact O-N 2.87Å; I99-V229 HydrophobicContact CD1-CB 4.12Å; I99-V229 WeakPolarHBondContact CD1-O 3.17Å; I99-P231 HydrophobicContact CB-CB 4.43Å; I99-P231 HydrophobicContact CB-CG 4.45Å; I99-P231 HydrophobicContact CD1-CB 4.11Å; I99-P231 HydrophobicContact CD1-CG 4.37Å
100Q78.3Confident80.9Confident141 Ų14176.3 Ų76.366%0.65939%0.385SS*.EExtended strand (participates in β ladder)trans-70.3119.9175.3-62.9-171.130.100111.3
101V80.9Confident82.1Confident28 Ų2872.3 Ų72.317%0.1736%0.363CS..EExtended strand (participates in β ladder)trans-110.1127.1176.8178.50000110V94 I96 I99 M103 P115V94-V101 PolarHBondContact N-O 3.44Å; V94-V101 PolarHBondContact O-N 3.46Å; I96-V101 HydrophobicContact CB-CG2 4.44Å; I96-V101 HydrophobicContact CD1-CB 3.97Å; I96-V101 HydrophobicContact CD1-CG1 4.43Å; I96-V101 HydrophobicContact CD1-CG2 3.79Å; I96-V101 HydrophobicContact CG1-CB 4.43Å; I96-V101 HydrophobicContact CG1-CG2 4.16Å; I99-V101 PolarHBondContact O-N 2.87Å; V101-M103 PolarHBondContact O-N 2.91Å; V101-P115 HydrophobicContact CG1-CB 4.25Å
102R79.7Confident83.2Confident156 Ų15670.7 Ų70.759%0.58936%0.357SS*.EExtended strand (participates in β ladder)trans-88.598.9-174.5-160.2-176.5-164.9-166.93.1111.2Y91 T93Y91-R102 HydrophobicContact CD1-CG 3.69Å; Y91-R102 VanDerWaalsContact CD2-CZ 3.41Å; Y91-R102 HydrophobicContact CG-CG 4.03Å; Y91-R102 VanDerWaalsContact CG-CZ 3.43Å; T93-R102 HydrophobicContact CG2-CG 4.47Å
103M86.3Confident83.9Confident27 Ų2767.9 Ų67.913%0.13334%0.343CS..EExtended strand (participates in β ladder)trans-65.8151.4169-66.8172.252.400110Y91 K92 V94 V101 Y112 R113 P115Y91-M103 VanDerWaalsContact CA-O 3.3Å; Y91-M103 WeakPolarHBondContact CA-O 3.24Å; K92-M103 PolarHBondContact N-O 2.87Å; K92-M103 WeakPolarHBondContact O-CA 3.43Å; K92-M103 WeakPolarHBondContact O-CB 3.39Å; K92-M103 PolarHBondContact O-N 2.81Å; V94-M103 HydrophobicContact CB-SD 4.16Å; V94-M103 HydrophobicContact CG2-SD 3.48Å; V94-M103 WeakPolarHBondContact CG2-SD 3.06Å; V101-M103 PolarHBondContact O-N 2.91Å; M103-Y112 WeakPolarHBondContact CE-O 3.3Å; M103-R113 VanDerWaalsContact CB-O 3.31Å; M103-R113 WeakPolarHBondContact CB-O 3.35Å; M103-R113 WeakPolarHBondContact CG-O 3.43Å; M103-P115 HydrophobicContact CG-CG 4.45Å; M103-P115 HydrophobicContact SD-CG 4.49Å
104K86.8Confident84.6Confident100 Ų10065.8 Ų65.844%0.43533%0.331SS..EExtended strand (participates in β ladder)trans-126.1130.9-178.3-53.2-160.6-179.9-160.10111Y91 R113Y91-K104 HydrophobicContact CD1-CB 4.45Å; Y91-K104 HydrophobicContact CD1-CD 4.39Å; Y91-K104 HydrophobicContact CD1-CG 3.86Å; Y91-K104 HydrophobicContact CE1-CB 4.48Å; Y91-K104 HydrophobicContact CE1-CD 3.73Å; Y91-K104 HydrophobicContact CE1-CG 3.73Å; K104-R113 VanDerWaalsContact O-CB 3.31Å; K104-R113 WeakPolarHBondContact O-CB 3.47Å; K104-R113 WeakPolarHBondContact O-CG 3.27Å; K104-R113 PolarHBondContact O-N 3.49Å; K104-R113 PolarHBondContact O-NE 3.38Å
105W87.4Confident85.2Confident61 Ų6165 Ų6523%0.23133%0.327CS..EExtended strand (participates in β ladder)trans-54.5148.5170.1-174.7-112.7000111.7D81 L90 R110 F111 Y112 R113D81-W105 WeakPolarHBondContact OD1-CH2 3.2Å; L90-W105 HydrophobicContact CD1-CB 4.4Å; L90-W105 PolarHBondContact O-N 2.74Å; L90-W105 VanDerWaalsContact O-N 3.15Å; W105-R110 VanDerWaalsContact CH2-C 3.45Å; W105-R110 HydrophobicContact CH2-CB 4.49Å; W105-R110 HydrophobicContact CZ2-CB 4.16Å; W105-F111 VanDerWaalsContact CZ3-CA 3.41Å; W105-Y112 HydrophobicContact CB-CD1 4.43Å; W105-Y112 HydrophobicContact CB-CE1 4.28Å; W105-Y112 HydrophobicContact CE3-CD1 4.24Å; W105-Y112 AromaticContact CE3-CD2 3.6Å; W105-Y112 HydrophobicContact CE3-CD2 3.6Å; W105-Y112 HydrophobicContact CE3-CE1 4.34Å; W105-Y112 AromaticContact CE3-CE2 3.71Å; W105-Y112 HydrophobicContact CE3-CE2 3.71Å; W105-Y112 AromaticContact CE3-CG 3.88Å; W105-Y112 HydrophobicContact CE3-CG 3.88Å; W105-Y112 AromaticContact CZ3-CD2 3.76Å; W105-Y112 HydrophobicContact CZ3-CD2 3.76Å; W105-Y112 AromaticContact CZ3-CE2 3.95Å; W105-Y112 HydrophobicContact CZ3-CE2 3.95Å; W105-Y112 HydrophobicContact CZ3-CG 4.39Å; W105-R113 PolarHBondContact O-NE 2.93Å; W105-R113 PolarHBondContact O-NH2 3.4Å
106C90.3Very high85.7Confident5 Ų560.1 Ų60.13%0.03430%0.303CS..EExtended strand (participates in β ladder)trans-127.9101.8173.4-177.60000110.4T108 C109 R110 F111 R113 C126C106-T108 VanDerWaalsContact C-N 3.26Å; C106-T108 PolarHBondContact O-N 2.91Å; C106-C109 PolarHBondContact O-N 2.89Å; C106-R110 WeakPolarHBondContact O-CA 3.46Å; C106-R110 PolarHBondContact O-N 2.88Å; C106-F111 PolarHBondContact N-O 3.29Å; C106-R113 HydrophobicContact CB-CG 3.8Å; C106-C126 VanDerWaalsContact SG-SG 3.69Å
107A88.9Confident86.5Confident77 Ų7759.7 Ų59.764%0.63630%0.301SS*.THydrogen-bonded Turntrans-55.5-37.7-179.700000113.5C109 R110A107-C109 PolarHBondContact O-N 2.82Å; A107-R110 WeakPolarHBondContact O-CG 3.34Å
108T89.3Confident87.2Confident67 Ų6754.1 Ų54.141%0.41128%0.28SS..THydrogen-bonded Turntrans-70.3-27.3-177-30.30000114.4R75 C106 D124R75-T108 PolarHBondContact NH1-O 2.8Å; C106-T108 VanDerWaalsContact C-N 3.26Å; C106-T108 PolarHBondContact O-N 2.91Å; T108-D124 WeakPolarHBondContact CG2-OD1 3.31Å
109C89.8Confident88.3Confident1 Ų153.4 Ų53.41%0.00726%0.261CS..THydrogen-bonded Turntrans-113.6-5.1-179.8-57.50000113.2R75 A76 C106 A107 F111 H119R75-C109 VanDerWaalsContact CA-O 3.27Å; R75-C109 WeakPolarHBondContact CA-O 3.33Å; R75-C109 WeakPolarHBondContact CB-O 3.46Å; R75-C109 HydrophobicContact CG-CB 4.08Å; A76-C109 PolarHBondContact N-O 2.84Å; A76-C109 VanDerWaalsContact N-O 3.1Å; C106-C109 PolarHBondContact O-N 2.89Å; A107-C109 PolarHBondContact O-N 2.82Å; C109-F111 HydrophobicContact CB-CD1 3.9Å; C109-F111 HydrophobicContact CB-CE1 3.59Å; C109-F111 HydrophobicContact CB-CZ 4.48Å; C109-F111 WeakPolarHBondContact O-CD1 3.08Å; C109-H119 PolarHBondContact SG-ND1 2.75Å
110R87.8Confident89.1Confident95 Ų9551 Ų5136%0.35825%0.249SC..THydrogen-bonded Turntrans50.554.5-178.7-53.4-171.1-176.4113.8-14.7114.4A76 E78 D81 W105 C106 A107A76-R110 HydrophobicContact CB-CB 4.11Å; A76-R110 WeakPolarHBondContact CB-O 3.44Å; E78-R110 IonicContact OE1-CZ 3.6Å; E78-R110 IonicContact OE1-NH1 3.52Å; E78-R110 PolarHBondContact OE1-NH1 3.33Å; E78-R110 IonicContact OE1-NH2 3.16Å; E78-R110 PolarHBondContact OE1-NH2 2.72Å; D81-R110 WeakPolarHBondContact OD2-CB 3.26Å; D81-R110 WeakPolarHBondContact OD2-CD 3.37Å; W105-R110 VanDerWaalsContact CH2-C 3.45Å; W105-R110 HydrophobicContact CH2-CB 4.49Å; W105-R110 HydrophobicContact CZ2-CB 4.16Å; C106-R110 WeakPolarHBondContact O-CA 3.46Å; C106-R110 PolarHBondContact O-N 2.88Å; A107-R110 WeakPolarHBondContact O-CG 3.34Å
111F88.4Confident89.8Confident19 Ų1949.2 Ų49.28%0.08325%0.252CS..EExtended strand (participates in β ladder)trans-156.2162.5166.765.2-94.5000113.4F73 P74 W105 C106 C109 R113 C126F73-F111 HydrophobicContact CB-CE1 4.04Å; F73-F111 HydrophobicContact CB-CE2 4.43Å; F73-F111 HydrophobicContact CB-CZ 3.57Å; F73-F111 HydrophobicContact CD2-CE2 4.48Å; F73-F111 HydrophobicContact CD2-CZ 4.21Å; F73-F111 HydrophobicContact CG-CE2 4.5Å; F73-F111 HydrophobicContact CG-CZ 4.06Å; P74-F111 VanDerWaalsContact O-CE1 3.25Å; P74-F111 WeakPolarHBondContact O-CE1 3.29Å; W105-F111 VanDerWaalsContact CZ3-CA 3.41Å; C106-F111 PolarHBondContact N-O 3.29Å; C109-F111 HydrophobicContact CB-CD1 3.9Å; C109-F111 HydrophobicContact CB-CE1 3.59Å; C109-F111 HydrophobicContact CB-CZ 4.48Å; C109-F111 WeakPolarHBondContact O-CD1 3.08Å; F111-R113 HydrophobicContact CE2-CG 4.41Å; F111-R113 PolarHBondContact O-N 3.32Å; F111-C126 HydrophobicContact CE1-CB 4.06Å; F111-C126 HydrophobicContact CE2-CB 4.35Å; F111-C126 HydrophobicContact CZ-CB 3.45Å; F111-C126 VanDerWaalsContact CZ-CB 3.45Å
112Y88.9Confident90.4Very high43 Ų4351 Ų5117%0.16926%0.264CS..EExtended strand (participates in β ladder)trans-71.6105.7169-79.1-78.2000111.4P89 K92 M103 W105 P114P89-Y112 WeakPolarHBondContact O-CE1 3.33Å; P89-Y112 VanDerWaalsContact O-CZ 3.3Å; P89-Y112 PolarHBondContact O-OH 2.86Å; K92-Y112 HydrophobicContact CB-CD1 3.94Å; K92-Y112 HydrophobicContact CB-CE1 3.95Å; M103-Y112 WeakPolarHBondContact CE-O 3.3Å; W105-Y112 HydrophobicContact CB-CD1 4.43Å; W105-Y112 HydrophobicContact CB-CE1 4.28Å; W105-Y112 HydrophobicContact CE3-CD1 4.24Å; W105-Y112 AromaticContact CE3-CD2 3.6Å; W105-Y112 HydrophobicContact CE3-CD2 3.6Å; W105-Y112 HydrophobicContact CE3-CE1 4.34Å; W105-Y112 AromaticContact CE3-CE2 3.71Å; W105-Y112 HydrophobicContact CE3-CE2 3.71Å; W105-Y112 AromaticContact CE3-CG 3.88Å; W105-Y112 HydrophobicContact CE3-CG 3.88Å; W105-Y112 AromaticContact CZ3-CD2 3.76Å; W105-Y112 HydrophobicContact CZ3-CD2 3.76Å; W105-Y112 AromaticContact CZ3-CE2 3.95Å; W105-Y112 HydrophobicContact CZ3-CE2 3.95Å; W105-Y112 HydrophobicContact CZ3-CG 4.39Å; Y112-P114 VanDerWaalsContact O-CD 3.27Å; Y112-P114 WeakPolarHBondContact O-CD 3.36Å
113R92.4Very high91.1Very high61 Ų6145.5 Ų45.523%0.2325%0.248CC..EExtended strand (participates in β ladder)trans-55.2119-178.4-70.4173.3-81.3-168.8-7.5111.1M103 K104 W105 C106 F111 C117M103-R113 VanDerWaalsContact CB-O 3.31Å; M103-R113 WeakPolarHBondContact CB-O 3.35Å; M103-R113 WeakPolarHBondContact CG-O 3.43Å; K104-R113 VanDerWaalsContact O-CB 3.31Å; K104-R113 WeakPolarHBondContact O-CB 3.47Å; K104-R113 WeakPolarHBondContact O-CG 3.27Å; K104-R113 PolarHBondContact O-N 3.49Å; K104-R113 PolarHBondContact O-NE 3.38Å; W105-R113 PolarHBondContact O-NE 2.93Å; W105-R113 PolarHBondContact O-NH2 3.4Å; C106-R113 HydrophobicContact CB-CG 3.8Å; F111-R113 HydrophobicContact CE2-CG 4.41Å; F111-R113 PolarHBondContact O-N 3.32Å; R113-C117 HydrophobicContact CB-CB 4.23Å
114P91.4Very high91.5Very high40 Ų4047.5 Ų47.526%0.2626%0.259SS..PPolyproline II helixtrans-55163.8175.8-29.336.5000113.3F73 Y112 R116 C117F73-P114 HydrophobicContact CE2-CG 4.25Å; F73-P114 HydrophobicContact CZ-CG 4.09Å; Y112-P114 VanDerWaalsContact O-CD 3.27Å; Y112-P114 WeakPolarHBondContact O-CD 3.36Å; P114-R116 PolarHBondContact O-N 2.93Å; P114-C117 HydrophobicContact CB-CB 4.25Å; P114-C117 WeakPolarHBondContact O-CB 3.46Å; P114-C117 PolarHBondContact O-N 2.78Å
115P90.6Very high91.8Very high40 Ų4044.6 Ų44.626%0.2625%0.249SC..THydrogen-bonded Turntrans-48.5136.3170.8-2635.5000111.3I96 V101 M103 C117 F232I96-P115 HydrophobicContact CD1-CB 3.62Å; I96-P115 HydrophobicContact CD1-CG 3.53Å; V101-P115 HydrophobicContact CG1-CB 4.25Å; M103-P115 HydrophobicContact CG-CG 4.45Å; M103-P115 HydrophobicContact SD-CG 4.49Å; P115-C117 PolarHBondContact O-N 2.94Å; P115-F232 HydrophobicContact CB-CZ 4.06Å
116R92.3Very high92.3Very high29 Ų2941.7 Ų41.711%0.10924%0.238CC..THydrogen-bonded Turntrans64.2-9.1-177.5-40.2-178.875.9-158.8-2116.2P114 E129 F130 E219 F232P114-R116 PolarHBondContact O-N 2.93Å; R116-E129 HydrophobicContact CB-CG 4.2Å; R116-E129 IonicContact CZ-OE1 3.44Å; R116-E129 IonicContact CZ-OE2 2.72Å; R116-E129 IonicContact NH1-OE1 3.76Å; R116-E129 PolarHBondContact NH1-OE1 3.28Å; R116-E129 IonicContact NH1-OE2 3.7Å; R116-E129 PolarHBondContact NH1-OE2 3.49Å; R116-E129 WeakPolarHBondContact O-CA 3.34Å; R116-F130 PolarHBondContact O-N 2.83Å; R116-E219 WeakPolarHBondContact CG-OE1 3.27Å; R116-E219 IonicContact CZ-OE1 2.92Å; R116-E219 IonicContact CZ-OE2 3.74Å; R116-E219 IonicContact NE-OE1 2.79Å; R116-E219 PolarHBondContact NE-OE1 2.91Å; R116-E219 IonicContact NE-OE2 3.8Å; R116-E219 IonicContact NH2-OE1 2.75Å; R116-E219 IonicContact NH2-OE2 3.57Å; R116-E219 PolarHBondContact NH2-OE2 3.49Å; R116-E219 VanDerWaalsContact NH2-OE2 3.16Å; R116-F232 HydrophobicContact CG-CD1 4.5Å; R116-F232 HydrophobicContact CG-CD2 4.09Å; R116-F232 HydrophobicContact CG-CE1 4.11Å; R116-F232 HydrophobicContact CG-CE2 3.66Å; R116-F232 HydrophobicContact CG-CG 4.49Å; R116-F232 HydrophobicContact CG-CZ 3.67Å
117C94.5Very high92.6Very high10 Ų1041.5 Ų41.57%0.06824%0.237CC..  trans-65.3148.9169.6-174.30000110.8F73 R113 P114 P115 V127F73-C117 HydrophobicContact CE2-CB 4.23Å; R113-C117 HydrophobicContact CB-CB 4.23Å; P114-C117 HydrophobicContact CB-CB 4.25Å; P114-C117 WeakPolarHBondContact O-CB 3.46Å; P114-C117 PolarHBondContact O-N 2.78Å; P115-C117 PolarHBondContact O-N 2.94Å; C117-V127 WeakPolarHBondContact CA-O 3.2Å; C117-V127 PolarHBondContact SG-O 2.81Å
118S94.9Very high92.9Very high22 Ų2239.8 Ų39.815%0.15422%0.215CC..EExtended strand (participates in β ladder)trans-148.3157.3167-640000111C126 V127 N218S118-C126 WeakPolarHBondContact O-CA 3.11Å; S118-V127 PolarHBondContact N-O 3.37Å; S118-V127 PolarHBondContact O-N 3Å; S118-N218 PolarHBondContact OG-ND2 3.04Å
119H95.7Very high93.2Very high41 Ų4139 Ų3919%0.1921%0.207CC..EExtended strand (participates in β ladder)trans-91.7127.9175.5178.492.8000109C109 D124 N125C109-H119 PolarHBondContact SG-ND1 2.75Å; H119-D124 IonicContact CE1-OD1 3.33Å; H119-D124 PolarHBondContact CE1-OD1 3.47Å; H119-D124 IonicContact NE2-OD1 2.74Å; H119-N125 WeakPolarHBondContact CA-O 3.41Å
120C96.6Very high93.5Very high8 Ų840.3 Ų40.35%0.05421%0.213CC..EExtended strand (participates in β ladder)trans-101.4114.9171.8-179.80000109.9V122 C123 D124 N125 F130 C140C120-V122 VanDerWaalsContact C-N 3.27Å; C120-V122 PolarHBondContact O-N 3.03Å; C120-C123 HydrophobicContact CB-CB 4.44Å; C120-C123 PolarHBondContact O-N 2.83Å; C120-D124 VanDerWaalsContact O-CA 3.3Å; C120-D124 WeakPolarHBondContact O-CA 3.17Å; C120-D124 PolarHBondContact O-N 2.94Å; C120-N125 PolarHBondContact N-O 3.32Å; C120-N125 PolarHBondContact O-N 2.65Å; C120-F130 HydrophobicContact CB-CE2 3.86Å; C120-F130 HydrophobicContact CB-CZ 4.32Å; C120-C140 VanDerWaalsContact CB-SG 3.54Å
121S93.9Very high94Very high103 Ų10335.9 Ų35.972%0.7220%0.196SC*.THydrogen-bonded Turntrans-68.4-20.8178.250.70000114.2
122V93.5Very high94.4Very high67 Ų6736.8 Ų36.841%0.40620%0.2SC..THydrogen-bonded Turntrans-76.3-34.6179.1-172.60000111.9K13 C120 H133K13-V122 PolarHBondContact NZ-O 3.45Å; C120-V122 VanDerWaalsContact C-N 3.27Å; C120-V122 PolarHBondContact O-N 3.03Å; V122-H133 WeakPolarHBondContact CG1-NE2 2.96Å
123C93.3Very high94.8Very high40 Ų4036.6 Ų36.627%0.2720%0.201SC..THydrogen-bonded Turntrans-98.3-4.9174.6-68.50000113.3C120 N125 H133C120-C123 HydrophobicContact CB-CB 4.44Å; C120-C123 PolarHBondContact O-N 2.83Å; C123-N125 VanDerWaalsContact C-N 3.34Å; C123-N125 PolarHBondContact O-N 2.7Å; C123-N125 PolarHBondContact O-ND2 2.98Å; C123-H133 VanDerWaalsContact SG-CE1 3.5Å; C123-H133 PolarHBondContact SG-ND1 3.49Å
124D94.5Very high95.1Very high68 Ų6834.2 Ų34.236%0.36419%0.193SC..THydrogen-bonded Turntrans44.851.1-173.8-172.328.7000113.8R75 T108 H119 C120R75-D124 IonicContact CZ-OD2 2.69Å; R75-D124 IonicContact NH1-OD2 3.49Å; R75-D124 PolarHBondContact NH2-O 3.4Å; R75-D124 IonicContact NH2-OD1 3.4Å; R75-D124 PolarHBondContact NH2-OD1 3.26Å; R75-D124 IonicContact NH2-OD2 2.77Å; R75-D124 PolarHBondContact NH2-OD2 3.46Å; T108-D124 WeakPolarHBondContact CG2-OD1 3.31Å; H119-D124 IonicContact CE1-OD1 3.33Å; H119-D124 PolarHBondContact CE1-OD1 3.47Å; H119-D124 IonicContact NE2-OD1 2.74Å; C120-D124 VanDerWaalsContact O-CA 3.3Å; C120-D124 WeakPolarHBondContact O-CA 3.17Å; C120-D124 PolarHBondContact O-N 2.94Å
125N94.7Very high95.3Very high40 Ų4035.3 Ų35.321%0.21420%0.201CC..EExtended strand (participates in β ladder)trans-152.2151.2-175.1-85-69.1000112.8I72 H119 C120 C123I72-N125 HydrophobicContact CD1-CB 4.45Å; I72-N125 HydrophobicContact CG1-CB 4.32Å; I72-N125 HydrophobicContact CG2-CB 3.97Å; I72-N125 WeakPolarHBondContact CG2-OD1 3.42Å; H119-N125 WeakPolarHBondContact CA-O 3.41Å; C120-N125 PolarHBondContact N-O 3.32Å; C120-N125 PolarHBondContact O-N 2.65Å; C123-N125 VanDerWaalsContact C-N 3.34Å; C123-N125 PolarHBondContact O-N 2.7Å; C123-N125 PolarHBondContact O-ND2 2.98Å
126C96Very high95.6Very high0 Ų040.3 Ų40.30%021%0.214CC..EExtended strand (participates in β ladder)trans-86.5128.2168.1-85.70000110.8I72 F73 C106 F111 S118I72-C126 WeakPolarHBondContact CA-O 3.4Å; F73-C126 PolarHBondContact N-O 2.93Å; C106-C126 VanDerWaalsContact SG-SG 3.69Å; F111-C126 HydrophobicContact CE1-CB 4.06Å; F111-C126 HydrophobicContact CE2-CB 4.35Å; F111-C126 HydrophobicContact CZ-CB 3.45Å; F111-C126 VanDerWaalsContact CZ-CB 3.45Å; S118-C126 WeakPolarHBondContact O-CA 3.11Å
127V96.9Very high95.8Very high1 Ų139 Ų391%0.00621%0.21CC..EExtended strand (participates in β ladder)trans-120.2131.8-175179.40000110.7P70 G71 I72 C117 S118 F130 C140P70-V127 HydrophobicContact CB-CG1 3.97Å; P70-V127 HydrophobicContact CG-CG1 4.06Å; P70-V127 HydrophobicContact CG-CG2 4.25Å; G71-V127 WeakPolarHBondContact O-CA 3.47Å; I72-V127 HydrophobicContact CG1-CG2 4.27Å; C117-V127 WeakPolarHBondContact CA-O 3.2Å; C117-V127 PolarHBondContact SG-O 2.81Å; S118-V127 PolarHBondContact N-O 3.37Å; S118-V127 PolarHBondContact O-N 3Å; V127-F130 HydrophobicContact CB-CB 4.21Å; V127-F130 HydrophobicContact CB-CD2 4.1Å; V127-F130 HydrophobicContact CG1-CB 4.46Å; V127-F130 HydrophobicContact CG1-CD2 4.44Å; V127-C140 HydrophobicContact CG2-CB 4.11Å
128E95.6Very high96Very high41 Ų4140.5 Ų40.519%0.19222%0.217CC..THydrogen-bonded Turntrans-64.9136.2174.1-167.5-172.4-152.100111.8G71 F73 F130 G142 R143 Y252G71-E128 PolarHBondContact O-N 3.5Å; F73-E128 HydrophobicContact CD2-CB 4.45Å; F73-E128 HydrophobicContact CE2-CB 3.65Å; F73-E128 HydrophobicContact CE2-CG 4.07Å; F73-E128 HydrophobicContact CZ-CB 3.95Å; F73-E128 HydrophobicContact CZ-CG 3.96Å; E128-F130 PolarHBondContact O-N 3.43Å; E128-F130 VanDerWaalsContact O-N 3.15Å; E128-G142 WeakPolarHBondContact O-CA 3.34Å; E128-R143 HydrophobicContact CB-CB 4Å; E128-R143 HydrophobicContact CG-CB 3.85Å; E128-R143 HydrophobicContact CG-CG 4.24Å; E128-R143 PolarHBondContact O-N 3.29Å; E128-R143 WeakPolarHBondContact OE2-CB 3.49Å; E128-R143 VanDerWaalsContact OE2-CG 3.24Å; E128-R143 WeakPolarHBondContact OE2-CG 3.48Å; E128-Y252 VanDerWaalsContact CD-OH 3.23Å; E128-Y252 PolarHBondContact OE1-OH 2.94Å; E128-Y252 VanDerWaalsContact OE1-OH 3.04Å; E128-Y252 PolarHBondContact OE2-OH 2.62Å
129E94.9Very high96.1Very high51 Ų5140.4 Ų40.424%0.23822%0.215CC..THydrogen-bonded Turntrans40.646.1-172-54.4-160.2167.700113.7R116 D131 R143R116-E129 HydrophobicContact CB-CG 4.2Å; R116-E129 IonicContact CZ-OE1 3.44Å; R116-E129 IonicContact CZ-OE2 2.72Å; R116-E129 IonicContact NH1-OE1 3.76Å; R116-E129 PolarHBondContact NH1-OE1 3.28Å; R116-E129 IonicContact NH1-OE2 3.7Å; R116-E129 PolarHBondContact NH1-OE2 3.49Å; R116-E129 WeakPolarHBondContact O-CA 3.34Å; E129-D131 PolarHBondContact O-N 2.96Å; E129-D131 VanDerWaalsContact O-N 3.16Å; E129-R143 HydrophobicContact CB-CB 3.96Å; E129-R143 HydrophobicContact CG-CB 4.09Å; E129-R143 HydrophobicContact CG-CG 4.33Å
130F96.8Very high96.2Very high27 Ų2738.5 Ų38.512%0.11821%0.206CC..  trans-56.4120.3-176.8174.1-96.6000111.7R116 C120 V127 E128 H132 C140 N218R116-F130 PolarHBondContact O-N 2.83Å; C120-F130 HydrophobicContact CB-CE2 3.86Å; C120-F130 HydrophobicContact CB-CZ 4.32Å; V127-F130 HydrophobicContact CB-CB 4.21Å; V127-F130 HydrophobicContact CB-CD2 4.1Å; V127-F130 HydrophobicContact CG1-CB 4.46Å; V127-F130 HydrophobicContact CG1-CD2 4.44Å; E128-F130 PolarHBondContact O-N 3.43Å; E128-F130 VanDerWaalsContact O-N 3.15Å; F130-H132 VanDerWaalsContact CE2-C 3.45Å; F130-H132 WeakPolarHBondContact CE2-O 3.43Å; F130-H132 VanDerWaalsContact CZ-C 3.42Å; F130-C140 HydrophobicContact CD2-CB 4.41Å; F130-C140 HydrophobicContact CE2-CB 4.25Å; F130-N218 HydrophobicContact CD1-CB 4.27Å; F130-N218 VanDerWaalsContact O-CB 3.22Å; F130-N218 WeakPolarHBondContact O-CB 3.5Å; F130-N218 PolarHBondContact O-ND2 2.98Å
131D97.4Very high96.3Very high2 Ų238.1 Ų38.11%0.01120%0.204CC..  trans-95.6-58.1-180-168.784.2000111.8E129 I141 Y146 H207 T216 T217 N218E129-D131 PolarHBondContact O-N 2.96Å; E129-D131 VanDerWaalsContact O-N 3.16Å; D131-I141 HydrophobicContact CB-CB 4.31Å; D131-I141 HydrophobicContact CB-CG2 4.2Å; D131-I141 PolarHBondContact N-O 3.34Å; D131-Y146 HydrophobicContact CB-CD2 4.07Å; D131-Y146 HydrophobicContact CB-CE2 4.04Å; D131-Y146 WeakPolarHBondContact OD1-CE2 3.48Å; D131-H207 IonicContact OD2-CE1 3.88Å; D131-T216 HydrophobicContact CB-CG2 4.29Å; D131-T216 WeakPolarHBondContact OD1-CA 3.22Å; D131-T216 WeakPolarHBondContact OD1-CB 3.43Å; D131-T217 PolarHBondContact OD1-N 3.19Å; D131-T217 PolarHBondContact OD1-OG1 3.04Å; D131-T217 WeakPolarHBondContact OD2-CB 3.43Å; D131-T217 PolarHBondContact OD2-OG1 3.22Å; D131-N218 WeakPolarHBondContact O-CB 3.45Å; D131-N218 PolarHBondContact O-N 3.3Å; D131-N218 VanDerWaalsContact O-N 3.08Å
132H97.6Very high96.4Very high38 Ų3833.2 Ų33.218%0.17617%0.169CC..EExtended strand (participates in β ladder)trans-162.6173.9172.864.4-80.9000111.2F130 C134 I141 F149F130-H132 VanDerWaalsContact CE2-C 3.45Å; F130-H132 WeakPolarHBondContact CE2-O 3.43Å; F130-H132 VanDerWaalsContact CZ-C 3.42Å; H132-C134 WeakPolarHBondContact NE2-CB 3.44Å; H132-I141 PolarHBondContact O-N 2.8Å; H132-F149 AromaticContact CE1-CE1 3.72Å; H132-F149 AromaticContact CE1-CZ 3.52Å; H132-F149 AromaticContact NE2-CZ 3.77Å
133H97.6Very high96.5Very high40 Ų4032.7 Ų32.719%0.18516%0.16CC..EExtended strand (participates in β ladder)trans-100.5129.3161.9177.284.3000108.8V122 C123V122-H133 WeakPolarHBondContact CG1-NE2 2.96Å; C123-H133 VanDerWaalsContact SG-CE1 3.5Å; C123-H133 PolarHBondContact SG-ND1 3.49Å
134C97.6Very high96.6Very high10 Ų1032 Ų327%0.06815%0.152CC..EExtended strand (participates in β ladder)trans-115.1106.9-171-167.80000110.7H132 W136 V137 N138 N139 I141H132-C134 WeakPolarHBondContact NE2-CB 3.44Å; C134-W136 VanDerWaalsContact C-N 3.25Å; C134-W136 PolarHBondContact O-N 3.33Å; C134-V137 HydrophobicContact CB-CG2 3.71Å; C134-V137 PolarHBondContact O-N 3.23Å; C134-N138 PolarHBondContact O-N 2.94Å; C134-N139 PolarHBondContact N-O 3.36Å; C134-N139 PolarHBondContact O-N 3.09Å; C134-I141 HydrophobicContact CB-CD1 4.26Å; C134-I141 HydrophobicContact CB-CG1 4.01Å
135P96.6Very high96.7Very high64 Ų6428.7 Ų28.742%0.41613%0.134SC..G310 helixtrans-60.3-34.1178.8-24.935000113.2P16 V137 N138P16-P135 HydrophobicContact CB-CB 4.06Å; P16-P135 HydrophobicContact CG-CB 4.09Å; P135-V137 PolarHBondContact O-N 3.4Å; P135-N138 PolarHBondContact O-N 3.12Å
136W97.1Very high96.9Very high144 Ų14428 Ų2855%0.54513%0.129SC..G310 helixtrans-65.5-18.9-178.4-59114.9000114.5P16 V17 A20 C134P16-W136 HydrophobicContact CB-CE3 4.03Å; P16-W136 HydrophobicContact CB-CZ3 4.33Å; V17-W136 WeakPolarHBondContact CA-O 3.38Å; V17-W136 WeakPolarHBondContact CG2-O 3.48Å; A20-W136 HydrophobicContact CB-CE3 4.18Å; C134-W136 VanDerWaalsContact C-N 3.25Å; C134-W136 PolarHBondContact O-N 3.33Å
137V97.3Very high96.9Very high1 Ų130.8 Ų30.81%0.00614%0.139CC..G310 helixtrans-119.28.5168.4-62.20000112.2F62 A65 T66 C134 P135 N139 I141F62-V137 HydrophobicContact CD2-CG1 3.94Å; F62-V137 HydrophobicContact CE2-CG1 3.89Å; A65-V137 HydrophobicContact CB-CG1 4.16Å; T66-V137 WeakPolarHBondContact CG2-O 3.44Å; T66-V137 WeakPolarHBondContact OG1-CB 3.43Å; C134-V137 HydrophobicContact CB-CG2 3.71Å; C134-V137 PolarHBondContact O-N 3.23Å; P135-V137 PolarHBondContact O-N 3.4Å; V137-N139 HydrophobicContact CG2-CB 4.25Å; V137-N139 WeakPolarHBondContact O-CB 3.49Å; V137-N139 PolarHBondContact O-N 3.49Å; V137-I141 HydrophobicContact CG2-CD1 3.93Å
138N96.7Very high96.9Very high43 Ų4333 Ų3323%0.2315%0.148CC..THydrogen-bonded Turntrans44.136.5-177.5-172.436.4000114.6K13 Y14 V17 C134 P135K13-N138 PolarHBondContact O-OD1 3.07Å; Y14-N138 WeakPolarHBondContact CD1-ND2 3.38Å; Y14-N138 WeakPolarHBondContact CE1-ND2 3.33Å; V17-N138 HydrophobicContact CB-CB 4.03Å; V17-N138 HydrophobicContact CG1-CB 3.6Å; C134-N138 PolarHBondContact O-N 2.94Å; P135-N138 PolarHBondContact O-N 3.12Å
139N97.4Very high97.1Very high20 Ų2031.1 Ų31.111%0.10714%0.139CC..EExtended strand (participates in β ladder)trans-143.8161.6-173.6-165.66.2000110.8A65 T66 M68 C134 V137 N145A65-N139 PolarHBondContact O-ND2 2.64Å; T66-N139 PolarHBondContact O-ND2 2.91Å; T66-N139 VanDerWaalsContact O-ND2 3.15Å; M68-N139 PolarHBondContact O-ND2 3.42Å; C134-N139 PolarHBondContact N-O 3.36Å; C134-N139 PolarHBondContact O-N 3.09Å; V137-N139 HydrophobicContact CG2-CB 4.25Å; V137-N139 WeakPolarHBondContact O-CB 3.49Å; V137-N139 PolarHBondContact O-N 3.49Å; N139-N145 PolarHBondContact ND2-ND2 3.03Å
140C97.9Very high97.2Very high1 Ų129.2 Ų29.21%0.00713%0.13CC..EExtended strand (participates in β ladder)trans-74.7148.6162.8-70.40000110.5P70 C120 V127 F130 N145P70-C140 HydrophobicContact CB-CB 4.3Å; P70-C140 WeakPolarHBondContact CB-O 3.33Å; P70-C140 HydrophobicContact CG-CB 4.02Å; C120-C140 VanDerWaalsContact CB-SG 3.54Å; V127-C140 HydrophobicContact CG2-CB 4.11Å; F130-C140 HydrophobicContact CD2-CB 4.41Å; F130-C140 HydrophobicContact CE2-CB 4.25Å; C140-N145 PolarHBondContact O-ND2 2.88Å
141I98.3Very high97.3Very high0 Ų030.1 Ų30.10%014%0.136CC..EExtended strand (participates in β ladder)trans-101122.1166.9-52.1-51.7000107.4D131 H132 C134 V137 Y146 F149D131-I141 HydrophobicContact CB-CB 4.31Å; D131-I141 HydrophobicContact CB-CG2 4.2Å; D131-I141 PolarHBondContact N-O 3.34Å; H132-I141 PolarHBondContact O-N 2.8Å; C134-I141 HydrophobicContact CB-CD1 4.26Å; C134-I141 HydrophobicContact CB-CG1 4.01Å; V137-I141 HydrophobicContact CG2-CD1 3.93Å; I141-Y146 HydrophobicContact CG2-CD2 3.78Å; I141-Y146 HydrophobicContact CG2-CG 4.32Å; I141-F149 HydrophobicContact CD1-CB 3.97Å; I141-F149 HydrophobicContact CD1-CD2 3.6Å; I141-F149 HydrophobicContact CD1-CE2 4.29Å; I141-F149 HydrophobicContact CD1-CG 3.82Å; I141-F149 HydrophobicContact CG1-CD1 4.41Å; I141-F149 HydrophobicContact CG1-CD2 3.94Å; I141-F149 HydrophobicContact CG1-CE2 4.25Å; I141-F149 HydrophobicContact CG1-CG 4.03Å; I141-F149 HydrophobicContact CG2-CB 4.09Å; I141-F149 HydrophobicContact CG2-CD1 3.98Å; I141-F149 HydrophobicContact CG2-CG 4.02Å
142G96.8Very high97.3Very high0 Ų031 Ų310%014%0.139CC..  trans-154.1-173.7-175.500000112.5P70 E128 R144 N145 Y146P70-G142 CarbonylContact O-C 3.3Å; E128-G142 WeakPolarHBondContact O-CA 3.34Å; G142-R144 PolarHBondContact O-N 3.05Å; G142-N145 PolarHBondContact N-OD1 3.37Å; G142-N145 PolarHBondContact O-N 3.49Å; G142-N145 VanDerWaalsContact O-N 3.16Å; G142-N145 PolarHBondContact O-OD1 2.84Å; G142-Y146 WeakPolarHBondContact O-CB 3.36Å; G142-Y146 PolarHBondContact O-N 3.19Å
143R95.7Very high97.4Very high55 Ų5529.4 Ų29.421%0.20813%0.132CC..THydrogen-bonded Turntrans-48.7-34.5-166.7-178.154.4179.797.4-4.6115.5P70 E128 E129 A249P70-R143 PolarHBondContact O-N 2.85Å; P70-R143 VanDerWaalsContact O-N 3.15Å; E128-R143 HydrophobicContact CB-CB 4Å; E128-R143 HydrophobicContact CG-CB 3.85Å; E128-R143 HydrophobicContact CG-CG 4.24Å; E128-R143 PolarHBondContact O-N 3.29Å; E128-R143 WeakPolarHBondContact OE2-CB 3.49Å; E128-R143 VanDerWaalsContact OE2-CG 3.24Å; E128-R143 WeakPolarHBondContact OE2-CG 3.48Å; E129-R143 HydrophobicContact CB-CB 3.96Å; E129-R143 HydrophobicContact CG-CB 4.09Å; E129-R143 HydrophobicContact CG-CG 4.33Å; R143-A249 HydrophobicContact CG-CB 3.8Å
144R95.6Very high97.4Very high25 Ų2530.6 Ų30.69%0.09414%0.14CC..THydrogen-bonded Turntrans-85-40.1-176.1-67.5176.952.678.39113.8M68 D69 P70 G142 A249 P250M68-R144 HydrophobicContact CE-CB 4.17Å; D69-R144 WeakPolarHBondContact O-CB 3.21Å; D69-R144 WeakPolarHBondContact O-CD 3.3Å; D69-R144 PolarHBondContact O-NE 3.3Å; D69-R144 WeakPolarHBondContact OD2-CD 3.5Å; D69-R144 IonicContact OD2-CZ 2.72Å; D69-R144 IonicContact OD2-NE 3.55Å; D69-R144 PolarHBondContact OD2-NE 2.8Å; P70-R144 WeakPolarHBondContact O-CB 3.43Å; P70-R144 PolarHBondContact O-N 3.47Å; G142-R144 PolarHBondContact O-N 3.05Å; R144-A249 HydrophobicContact CG-CB 4.02Å; R144-A249 PolarHBondContact NH1-O 2.88Å; R144-P250 WeakPolarHBondContact CD-O 3.34Å; R144-P250 PolarHBondContact NH1-O 3.46Å
145N96.9Very high97.5Very high0 Ų030.4 Ų30.40%014%0.138CC..THydrogen-bonded Turntrans-103.2-11.7-173.371.8-18.5000114.3A65 M68 P70 N139 C140 G142 R147 Y148 F149A65-N145 PolarHBondContact O-ND2 3.36Å; M68-N145 HydrophobicContact CB-CB 4.14Å; M68-N145 HydrophobicContact CG-CB 4.4Å; M68-N145 HydrophobicContact SD-CB 4.18Å; P70-N145 WeakPolarHBondContact CB-OD1 3.17Å; N139-N145 PolarHBondContact ND2-ND2 3.03Å; C140-N145 PolarHBondContact O-ND2 2.88Å; G142-N145 PolarHBondContact N-OD1 3.37Å; G142-N145 PolarHBondContact O-N 3.49Å; G142-N145 VanDerWaalsContact O-N 3.16Å; G142-N145 PolarHBondContact O-OD1 2.84Å; N145-R147 VanDerWaalsContact C-N 3.25Å; N145-R147 PolarHBondContact O-N 2.89Å; N145-R147 VanDerWaalsContact O-N 3.13Å; N145-Y148 PolarHBondContact O-N 3.33Å; N145-F149 PolarHBondContact O-N 2.97Å; N145-F149 VanDerWaalsContact O-N 3.11Å
146Y97.4Very high97.6Very high25 Ų2528.5 Ų28.510%0.09813%0.125CC..Hα-helixtrans-49-42.7179.4-169.2-76000113.4D131 I141 G142 Y148 F149 F150 H207 V211 V243D131-Y146 HydrophobicContact CB-CD2 4.07Å; D131-Y146 HydrophobicContact CB-CE2 4.04Å; D131-Y146 WeakPolarHBondContact OD1-CE2 3.48Å; I141-Y146 HydrophobicContact CG2-CD2 3.78Å; I141-Y146 HydrophobicContact CG2-CG 4.32Å; G142-Y146 WeakPolarHBondContact O-CB 3.36Å; G142-Y146 PolarHBondContact O-N 3.19Å; Y146-Y148 VanDerWaalsContact C-N 3.28Å; Y146-Y148 PolarHBondContact O-N 3.09Å; Y146-F149 PolarHBondContact O-N 3.31Å; Y146-F150 HydrophobicContact CD1-CB 4.28Å; Y146-F150 HydrophobicContact CE1-CB 4.1Å; Y146-F150 HydrophobicContact CE1-CG 4.48Å; Y146-F150 WeakPolarHBondContact O-CB 3.43Å; Y146-F150 PolarHBondContact O-N 2.86Å; Y146-H207 AromaticContact CZ-ND1 3.92Å; Y146-H207 PolarHBondContact OH-ND1 3.28Å; Y146-V211 HydrophobicContact CE1-CG2 3.8Å; Y146-V243 HydrophobicContact CD1-CG1 3.91Å; Y146-V243 HydrophobicContact CE1-CG1 4.02Å; Y146-V243 HydrophobicContact CE1-CG2 4.41Å
147R96.8Very high97.6Very high59 Ų5922.5 Ų22.522%0.22310%0.104CC..Hα-helixtrans-60.1-38.3-179.676-179.2-169.71706.7112.8N145 L151 V243 S246N145-R147 VanDerWaalsContact C-N 3.25Å; N145-R147 PolarHBondContact O-N 2.89Å; N145-R147 VanDerWaalsContact O-N 3.13Å; R147-L151 WeakPolarHBondContact O-CB 3.45Å; R147-L151 VanDerWaalsContact O-CG 3.28Å; R147-L151 WeakPolarHBondContact O-CG 3.22Å; R147-L151 PolarHBondContact O-N 2.86Å; R147-V243 VanDerWaalsContact CB-O 3.24Å; R147-V243 WeakPolarHBondContact CB-O 3.28Å; R147-S246 PolarHBondContact NH1-O 2.87Å
148Y97.9Very high97.7Very high47 Ų4723.7 Ų23.718%0.18411%0.114CC..Hα-helixtrans-74.8-38.6178.5-64.8-77.1000111.2N61 M64 M68 N145 Y146 L151 F152N61-Y148 WeakPolarHBondContact OD1-CD1 3.31Å; M64-Y148 HydrophobicContact CB-CD1 3.46Å; M64-Y148 VanDerWaalsContact CB-CD1 3.46Å; M64-Y148 HydrophobicContact CB-CD2 4Å; M64-Y148 HydrophobicContact CB-CE1 3.92Å; M64-Y148 HydrophobicContact CB-CE2 4.43Å; M64-Y148 HydrophobicContact CB-CG 3.48Å; M64-Y148 VanDerWaalsContact CB-CG 3.48Å; M64-Y148 HydrophobicContact CE-CD2 4.36Å; M64-Y148 HydrophobicContact CE-CE1 4.18Å; M64-Y148 HydrophobicContact CE-CE2 3.78Å; M64-Y148 HydrophobicContact CG-CD1 3.84Å; M64-Y148 HydrophobicContact CG-CE1 3.81Å; M64-Y148 HydrophobicContact CG-CG 4.31Å; M68-Y148 HydrophobicContact CE-CE2 4.13Å; M68-Y148 HydrophobicContact SD-CD2 3.71Å; M68-Y148 HydrophobicContact SD-CE2 3.5Å; M68-Y148 VanDerWaalsContact SD-CE2 3.5Å; N145-Y148 PolarHBondContact O-N 3.33Å; Y146-Y148 VanDerWaalsContact C-N 3.28Å; Y146-Y148 PolarHBondContact O-N 3.09Å; Y148-L151 PolarHBondContact O-N 3.5Å; Y148-F152 WeakPolarHBondContact O-CB 3.46Å; Y148-F152 PolarHBondContact O-N 2.89Å
149F98.2Very high97.8Very high2 Ų221.9 Ų21.91%0.00910%0.104CC..Hα-helixtrans-61.7-43.1172.2175.1-96.4000112.3A65 H132 I141 N145 Y146 F152 L153 H207A65-F149 HydrophobicContact CB-CB 4.24Å; H132-F149 AromaticContact CE1-CE1 3.72Å; H132-F149 AromaticContact CE1-CZ 3.52Å; H132-F149 AromaticContact NE2-CZ 3.77Å; I141-F149 HydrophobicContact CD1-CB 3.97Å; I141-F149 HydrophobicContact CD1-CD2 3.6Å; I141-F149 HydrophobicContact CD1-CE2 4.29Å; I141-F149 HydrophobicContact CD1-CG 3.82Å; I141-F149 HydrophobicContact CG1-CD1 4.41Å; I141-F149 HydrophobicContact CG1-CD2 3.94Å; I141-F149 HydrophobicContact CG1-CE2 4.25Å; I141-F149 HydrophobicContact CG1-CG 4.03Å; I141-F149 HydrophobicContact CG2-CB 4.09Å; I141-F149 HydrophobicContact CG2-CD1 3.98Å; I141-F149 HydrophobicContact CG2-CG 4.02Å; N145-F149 PolarHBondContact O-N 2.97Å; N145-F149 VanDerWaalsContact O-N 3.11Å; Y146-F149 PolarHBondContact O-N 3.31Å; F149-F152 WeakPolarHBondContact O-CB 3.29Å; F149-F152 PolarHBondContact O-N 3.11Å; F149-L153 HydrophobicContact CD1-CD1 4.23Å; F149-L153 HydrophobicContact CE1-CD1 3.51Å; F149-L153 HydrophobicContact CE1-CG 4.18Å; F149-L153 HydrophobicContact CZ-CD1 3.71Å; F149-L153 HydrophobicContact CZ-CD2 4.39Å; F149-L153 HydrophobicContact CZ-CG 4.12Å; F149-L153 WeakPolarHBondContact O-CG 3.41Å; F149-L153 PolarHBondContact O-N 3.41Å; F149-H207 AromaticContact CE1-CE1 3.71Å; F149-H207 AromaticContact CE1-NE2 3.63Å
150F98.2Very high97.8Very high10 Ų1021.6 Ų21.64%0.04410%0.103CC..Hα-helixtrans-67.5-43.2177.7-176.8-119.4000112.4Y146 F152 L153 L154 H207 V208 V211 V243 L244Y146-F150 HydrophobicContact CD1-CB 4.28Å; Y146-F150 HydrophobicContact CE1-CB 4.1Å; Y146-F150 HydrophobicContact CE1-CG 4.48Å; Y146-F150 WeakPolarHBondContact O-CB 3.43Å; Y146-F150 PolarHBondContact O-N 2.86Å; F150-F152 VanDerWaalsContact C-N 3.34Å; F150-L153 PolarHBondContact O-N 2.86Å; F150-L154 HydrophobicContact CD1-CD1 4.01Å; F150-L154 HydrophobicContact CE1-CD1 3.63Å; F150-L154 HydrophobicContact CE2-CD1 4.25Å; F150-L154 HydrophobicContact CE2-CG 4.45Å; F150-L154 HydrophobicContact CG-CD1 4.48Å; F150-L154 HydrophobicContact CZ-CD1 3.77Å; F150-L154 HydrophobicContact CZ-CG 4.4Å; F150-L154 WeakPolarHBondContact O-CG 3.33Å; F150-L154 PolarHBondContact O-N 3Å; F150-L154 VanDerWaalsContact O-N 3.09Å; F150-H207 HydrophobicContact CD2-CB 4.06Å; F150-H207 HydrophobicContact CE2-CB 4.2Å; F150-V208 HydrophobicContact CE2-CG2 3.98Å; F150-V208 HydrophobicContact CZ-CG2 4.08Å; F150-V211 HydrophobicContact CD2-CG2 4.12Å; F150-V211 HydrophobicContact CE1-CG2 4.32Å; F150-V211 HydrophobicContact CE2-CG2 3.92Å; F150-V211 HydrophobicContact CG-CG2 4.4Å; F150-V211 HydrophobicContact CZ-CB 4.35Å; F150-V211 HydrophobicContact CZ-CG2 4.02Å; F150-V243 HydrophobicContact CD1-CG1 3.87Å; F150-V243 HydrophobicContact CE1-CG1 4.49Å; F150-V243 HydrophobicContact CG-CG1 4.4Å; F150-L244 HydrophobicContact CD1-CD2 3.87Å; F150-L244 HydrophobicContact CE1-CD2 4.05Å
151L98.1Very high97.8Very high46 Ų4626.5 Ų26.524%0.24113%0.126CC..Hα-helixtrans-65.5-35.4173.2-73.7171.7000112.3F57 N61 R147 Y148 S155 L244F57-L151 HydrophobicContact CZ-CB 4.45Å; F57-L151 HydrophobicContact CZ-CD1 4.43Å; F57-L151 HydrophobicContact CZ-CD2 4.33Å; N61-L151 WeakPolarHBondContact OD1-CB 3.26Å; R147-L151 WeakPolarHBondContact O-CB 3.45Å; R147-L151 VanDerWaalsContact O-CG 3.28Å; R147-L151 WeakPolarHBondContact O-CG 3.22Å; R147-L151 PolarHBondContact O-N 2.86Å; Y148-L151 PolarHBondContact O-N 3.5Å; L151-S155 VanDerWaalsContact O-CB 3.3Å; L151-S155 WeakPolarHBondContact O-CB 3.32Å; L151-S155 PolarHBondContact O-N 3.43Å; L151-S155 PolarHBondContact O-OG 3.35Å; L151-L244 HydrophobicContact CD2-CD2 3.91Å; L151-L244 HydrophobicContact CG-CD2 4.22Å
152F98.6Very high97.8Very high20 Ų2026.9 Ų26.99%0.08813%0.131CC..Hα-helixtrans-60.2-49171.6163.8-112.2000111.3V58 N61 F62 Y148 F149 F150 L154 S155 L156V58-F152 HydrophobicContact CG1-CD2 3.98Å; V58-F152 HydrophobicContact CG1-CE2 4.01Å; N61-F152 HydrophobicContact CB-CB 3.82Å; F62-F152 HydrophobicContact CB-CD2 3.7Å; F62-F152 HydrophobicContact CB-CE2 3.75Å; F62-F152 HydrophobicContact CB-CG 4.49Å; F62-F152 HydrophobicContact CD2-CD2 4.3Å; F62-F152 HydrophobicContact CD2-CE1 4.33Å; F62-F152 AromaticContact CD2-CE2 3.67Å; F62-F152 HydrophobicContact CD2-CE2 3.67Å; F62-F152 AromaticContact CD2-CZ 3.67Å; F62-F152 HydrophobicContact CD2-CZ 3.67Å; F62-F152 HydrophobicContact CE2-CZ 4.4Å; F62-F152 HydrophobicContact CG-CD2 4.49Å; F62-F152 HydrophobicContact CG-CE2 4.1Å; Y148-F152 WeakPolarHBondContact O-CB 3.46Å; Y148-F152 PolarHBondContact O-N 2.89Å; F149-F152 WeakPolarHBondContact O-CB 3.29Å; F149-F152 PolarHBondContact O-N 3.11Å; F150-F152 VanDerWaalsContact C-N 3.34Å; F152-L154 PolarHBondContact O-N 3.03Å; F152-S155 PolarHBondContact O-N 3.18Å; F152-S155 PolarHBondContact O-OG 3.18Å; F152-L156 HydrophobicContact CD2-CB 4.47Å; F152-L156 HydrophobicContact CE1-CD2 4.38Å; F152-L156 HydrophobicContact CE2-CB 4.3Å; F152-L156 HydrophobicContact CE2-CD2 3.95Å; F152-L156 HydrophobicContact CZ-CD2 3.71Å; F152-L156 WeakPolarHBondContact O-CB 3.32Å; F152-L156 PolarHBondContact O-N 2.77Å
153L98.4Very high97.8Very high5 Ų527.3 Ų27.33%0.02613%0.133CC..Hα-helixtrans-59.9-47.5177.4-73.2-177.3000112.8F149 F150 T157 L203 T204 H207F149-L153 HydrophobicContact CD1-CD1 4.23Å; F149-L153 HydrophobicContact CE1-CD1 3.51Å; F149-L153 HydrophobicContact CE1-CG 4.18Å; F149-L153 HydrophobicContact CZ-CD1 3.71Å; F149-L153 HydrophobicContact CZ-CD2 4.39Å; F149-L153 HydrophobicContact CZ-CG 4.12Å; F149-L153 WeakPolarHBondContact O-CG 3.41Å; F149-L153 PolarHBondContact O-N 3.41Å; F150-L153 PolarHBondContact O-N 2.86Å; L153-T157 WeakPolarHBondContact O-CB 3.1Å; L153-T157 PolarHBondContact O-N 2.92Å; L153-T157 PolarHBondContact O-OG1 3Å; L153-L203 HydrophobicContact CD1-CD2 4.32Å; L153-L203 HydrophobicContact CD1-CG 4Å; L153-L203 HydrophobicContact CD2-CD2 3.76Å; L153-L203 HydrophobicContact CD2-CG 4.15Å; L153-T204 HydrophobicContact CB-CG2 4.42Å; L153-T204 PolarHBondContact O-OG1 3.49Å; L153-H207 HydrophobicContact CD1-CB 4.16Å
154L98.4Very high98Very high65 Ų6528.8 Ų28.834%0.3414%0.141SC..Hα-helixtrans-61.7-49.6178.1-72.9169000112.1F150 F152 T157 A158 T204 V208F150-L154 HydrophobicContact CD1-CD1 4.01Å; F150-L154 HydrophobicContact CE1-CD1 3.63Å; F150-L154 HydrophobicContact CE2-CD1 4.25Å; F150-L154 HydrophobicContact CE2-CG 4.45Å; F150-L154 HydrophobicContact CG-CD1 4.48Å; F150-L154 HydrophobicContact CZ-CD1 3.77Å; F150-L154 HydrophobicContact CZ-CG 4.4Å; F150-L154 WeakPolarHBondContact O-CG 3.33Å; F150-L154 PolarHBondContact O-N 3Å; F150-L154 VanDerWaalsContact O-N 3.09Å; F152-L154 PolarHBondContact O-N 3.03Å; L154-T157 PolarHBondContact O-N 2.95Å; L154-A158 PolarHBondContact O-N 2.87Å; L154-T204 HydrophobicContact CD2-CG2 3.73Å; L154-T204 HydrophobicContact CG-CG2 4.29Å; L154-V208 HydrophobicContact CD2-CG2 4.26Å
155S98.6Very high98.1Very high6 Ų629.3 Ų29.34%0.04215%0.154CC..Hα-helixtrans-71.6-35.1-178.756.70000113V58 L151 F152 T157 A158 H159V58-S155 VanDerWaalsContact CG2-C 3.44Å; V58-S155 WeakPolarHBondContact CG2-O 3.29Å; L151-S155 VanDerWaalsContact O-CB 3.3Å; L151-S155 WeakPolarHBondContact O-CB 3.32Å; L151-S155 PolarHBondContact O-N 3.43Å; L151-S155 PolarHBondContact O-OG 3.35Å; F152-S155 PolarHBondContact O-N 3.18Å; F152-S155 PolarHBondContact O-OG 3.18Å; S155-T157 VanDerWaalsContact C-N 3.34Å; S155-A158 PolarHBondContact O-N 3.29Å; S155-H159 VanDerWaalsContact O-CB 3.29Å; S155-H159 WeakPolarHBondContact O-CB 3.38Å; S155-H159 PolarHBondContact O-N 3.42Å
156L98.6Very high98.1Very high25 Ų2531.9 Ų31.913%0.13117%0.166CC..Hα-helixtrans-64.1-41.2173.8-179.964.5000110.7L24 V58 F152 H159 I160 V200L24-L156 HydrophobicContact CD1-CD1 3.98Å; V58-L156 HydrophobicContact CG1-CB 4.19Å; V58-L156 HydrophobicContact CG1-CD1 4.03Å; F152-L156 HydrophobicContact CD2-CB 4.47Å; F152-L156 HydrophobicContact CE1-CD2 4.38Å; F152-L156 HydrophobicContact CE2-CB 4.3Å; F152-L156 HydrophobicContact CE2-CD2 3.95Å; F152-L156 HydrophobicContact CZ-CD2 3.71Å; F152-L156 WeakPolarHBondContact O-CB 3.32Å; F152-L156 PolarHBondContact O-N 2.77Å; L156-H159 PolarHBondContact O-N 2.99Å; L156-I160 HydrophobicContact CD1-CD1 4.07Å; L156-I160 HydrophobicContact CD1-CG1 4.26Å; L156-I160 HydrophobicContact CG-CD1 3.89Å; L156-I160 HydrophobicContact CG-CG1 4.46Å; L156-I160 WeakPolarHBondContact O-CB 3.34Å; L156-I160 VanDerWaalsContact O-CG1 3.26Å; L156-I160 WeakPolarHBondContact O-CG1 3.25Å; L156-I160 PolarHBondContact O-N 3.26Å; L156-V200 HydrophobicContact CB-CG1 4.45Å; L156-V200 HydrophobicContact CD2-CG1 3.84Å; L156-V200 HydrophobicContact CD2-CG2 4.11Å; L156-V200 HydrophobicContact CG-CG1 4.02Å
157T98.6Very high98.1Very high17 Ų1730.7 Ų30.710%0.10416%0.161CC..Hα-helixtrans-61.6-45.4174-540000110.9L153 L154 S155 H159 I160 M161 F197 A201 T204L153-T157 WeakPolarHBondContact O-CB 3.1Å; L153-T157 PolarHBondContact O-N 2.92Å; L153-T157 PolarHBondContact O-OG1 3Å; L154-T157 PolarHBondContact O-N 2.95Å; S155-T157 VanDerWaalsContact C-N 3.34Å; T157-H159 PolarHBondContact O-N 3.29Å; T157-I160 PolarHBondContact O-N 3.37Å; T157-M161 HydrophobicContact CG2-CE 4.29Å; T157-M161 WeakPolarHBondContact O-CG 3.44Å; T157-M161 PolarHBondContact O-N 2.97Å; T157-F197 HydrophobicContact CG2-CE2 4.25Å; T157-A201 HydrophobicContact CG2-CB 4.21Å; T157-T204 PolarHBondContact OG1-OG1 3.44Å
158A98.4Very high98.1Very high26 Ų2631.5 Ų31.522%0.21517%0.169CC..Hα-helixtrans-63.3-38.217600000113.2M54 L154 S155 G162M54-A158 HydrophobicContact CE-CB 4.47Å; M54-A158 HydrophobicContact SD-CB 4.23Å; L154-A158 PolarHBondContact O-N 2.87Å; S155-A158 PolarHBondContact O-N 3.29Å; A158-G162 PolarHBondContact O-N 3.45Å
159H98.6Very high98Very high5 Ų532.8 Ų32.82%0.02318%0.179CC..Hα-helixtrans-68-44.4177-170.862.9000112T28 M54 V58 S155 L156 T157 M161 G162 V163T28-H159 PolarHBondContact OG1-NE2 2.91Å; M54-H159 HydrophobicContact CG-CB 3.91Å; V58-H159 HydrophobicContact CG2-CB 3.92Å; S155-H159 VanDerWaalsContact O-CB 3.29Å; S155-H159 WeakPolarHBondContact O-CB 3.38Å; S155-H159 PolarHBondContact O-N 3.42Å; L156-H159 PolarHBondContact O-N 2.99Å; T157-H159 PolarHBondContact O-N 3.29Å; H159-M161 PolarHBondContact O-N 2.92Å; H159-G162 PolarHBondContact O-N 3.15Å; H159-V163 WeakPolarHBondContact O-CG2 3.18Å; H159-V163 PolarHBondContact O-N 3.17Å
160I98.3Very high97.9Very high15 Ų1532.9 Ų32.98%0.07718%0.179CC..Hα-helixtrans-61.3-44175.1-70.4168.2000110.7L156 T157 G162 F164 A193 F196 F197 V200L156-I160 HydrophobicContact CD1-CD1 4.07Å; L156-I160 HydrophobicContact CD1-CG1 4.26Å; L156-I160 HydrophobicContact CG-CD1 3.89Å; L156-I160 HydrophobicContact CG-CG1 4.46Å; L156-I160 WeakPolarHBondContact O-CB 3.34Å; L156-I160 VanDerWaalsContact O-CG1 3.26Å; L156-I160 WeakPolarHBondContact O-CG1 3.25Å; L156-I160 PolarHBondContact O-N 3.26Å; T157-I160 PolarHBondContact O-N 3.37Å; I160-G162 VanDerWaalsContact C-N 3.34Å; I160-G162 PolarHBondContact O-N 3.01Å; I160-F164 VanDerWaalsContact O-CB 3.27Å; I160-F164 WeakPolarHBondContact O-CB 3.17Å; I160-F164 PolarHBondContact O-N 3.16Å; I160-A193 HydrophobicContact CG2-CB 4.29Å; I160-A193 WeakPolarHBondContact CG2-O 3.36Å; I160-F196 HydrophobicContact CD1-CB 4.3Å; I160-F197 HydrophobicContact CG2-CB 3.76Å; I160-F197 HydrophobicContact CG2-CD2 3.85Å; I160-F197 HydrophobicContact CG2-CG 4.25Å; I160-V200 HydrophobicContact CD1-CB 4.28Å; I160-V200 HydrophobicContact CD1-CG1 4.24Å; I160-V200 HydrophobicContact CD1-CG2 4.29Å
161M98.2Very high97.8Very high103 Ų10333.3 Ų33.351%0.50718%0.182SC..Hα-helixtrans-62.9-38.8174.3-70.1-173-58.600112.3T157 H159 G165 F197T157-M161 HydrophobicContact CG2-CE 4.29Å; T157-M161 WeakPolarHBondContact O-CG 3.44Å; T157-M161 PolarHBondContact O-N 2.97Å; H159-M161 PolarHBondContact O-N 2.92Å; M161-G165 PolarHBondContact O-N 2.95Å; M161-F197 HydrophobicContact CG-CD2 4.24Å; M161-F197 HydrophobicContact CG-CE2 3.57Å; M161-F197 HydrophobicContact CG-CZ 4.33Å; M161-F197 HydrophobicContact SD-CE2 4.06Å; M161-F197 HydrophobicContact SD-CZ 4.46Å
162G97.5Very high97.6Very high9 Ų936.1 Ų36.19%0.09320%0.197CC..Hα-helixtrans-61.6-57.9174.400000112.3A158 H159 I160 F164 G165 F166A158-G162 PolarHBondContact O-N 3.45Å; H159-G162 PolarHBondContact O-N 3.15Å; I160-G162 VanDerWaalsContact C-N 3.34Å; I160-G162 PolarHBondContact O-N 3.01Å; G162-F164 VanDerWaalsContact C-N 3.31Å; G162-F164 PolarHBondContact O-N 2.95Å; G162-G165 PolarHBondContact O-N 2.88Å; G162-F166 WeakPolarHBondContact O-CB 3.43Å; G162-F166 WeakPolarHBondContact O-CD2 3.41Å; G162-F166 PolarHBondContact O-N 3.15Å
163V98Very high97.4Very high8 Ų841.8 Ų41.85%0.04822%0.219CC..Hα-helixtrans-56.5-43.2179170.20000111.6F31 H159 G167 V189 A193F31-V163 HydrophobicContact CB-CG1 4.41Å; F31-V163 HydrophobicContact CD1-CG2 4.18Å; F31-V163 HydrophobicContact CD2-CB 4.49Å; F31-V163 HydrophobicContact CD2-CG1 3.91Å; F31-V163 HydrophobicContact CE1-CG2 4.44Å; F31-V163 HydrophobicContact CE2-CG1 4.41Å; F31-V163 HydrophobicContact CG-CG1 4.17Å; F31-V163 HydrophobicContact CG-CG2 4.24Å; H159-V163 WeakPolarHBondContact O-CG2 3.18Å; H159-V163 PolarHBondContact O-N 3.17Å; V163-G167 WeakPolarHBondContact O-CA 3.48Å; V163-G167 PolarHBondContact O-N 3.06Å; V163-V189 HydrophobicContact CG1-CG1 3.66Å; V163-A193 HydrophobicContact CG1-CB 4.39Å
164F98.1Very high97.1Very high87 Ų8742.4 Ų42.438%0.38222%0.222SC..Hα-helixtrans-68.9-47.3178.1-171.2-86.4000112.5I160 G162 G167 L168 M190I160-F164 VanDerWaalsContact O-CB 3.27Å; I160-F164 WeakPolarHBondContact O-CB 3.17Å; I160-F164 PolarHBondContact O-N 3.16Å; G162-F164 VanDerWaalsContact C-N 3.31Å; G162-F164 PolarHBondContact O-N 2.95Å; F164-G167 PolarHBondContact O-N 2.83Å; F164-L168 WeakPolarHBondContact O-CB 3.28Å; F164-L168 PolarHBondContact O-N 3.44Å; F164-M190 HydrophobicContact CD2-CB 4.12Å; F164-M190 HydrophobicContact CD2-CE 4.46Å; F164-M190 HydrophobicContact CD2-CG 4.48Å; F164-M190 HydrophobicContact CE1-CE 4.49Å; F164-M190 HydrophobicContact CE2-CB 4.22Å; F164-M190 HydrophobicContact CE2-CE 4.14Å; F164-M190 HydrophobicContact CZ-CE 4.16Å
165G97.8Very high96.8Very high35 Ų3543.9 Ų43.936%0.36123%0.229SC..Hα-helixtrans-68.9-43.1-177.200000113.5M161 G162 L168 L169M161-G165 PolarHBondContact O-N 2.95Å; G162-G165 PolarHBondContact O-N 2.88Å; G165-L168 PolarHBondContact O-N 2.93Å; G165-L169 PolarHBondContact O-N 2.9Å
166F97.8Very high96.5Very high55 Ų5552 Ų5224%0.24127%0.266CS..Hα-helixtrans-73.1-31.5174.4-68.7-57.4000112.3F31 L39 V47 Y50 N51 G162 L169 Y170F31-F166 HydrophobicContact CE2-CB 4.19Å; F31-F166 HydrophobicContact CZ-CB 3.77Å; L39-F166 HydrophobicContact CD1-CB 3.87Å; V47-F166 HydrophobicContact CB-CE1 4.44Å; V47-F166 HydrophobicContact CG1-CB 4.32Å; V47-F166 HydrophobicContact CG1-CD1 3.57Å; V47-F166 HydrophobicContact CG1-CD2 3.94Å; V47-F166 HydrophobicContact CG1-CE1 3.74Å; V47-F166 HydrophobicContact CG1-CE2 4.1Å; V47-F166 HydrophobicContact CG1-CG 3.69Å; V47-F166 HydrophobicContact CG1-CZ 4.01Å; V47-F166 HydrophobicContact CG2-CD1 4.3Å; V47-F166 HydrophobicContact CG2-CE1 3.87Å; V47-F166 HydrophobicContact CG2-CZ 4.36Å; Y50-F166 AromaticContact CD1-CE2 3.91Å; Y50-F166 HydrophobicContact CD1-CE2 3.91Å; Y50-F166 HydrophobicContact CE1-CE2 4.07Å; N51-F166 VanDerWaalsContact ND2-CD2 3.28Å; N51-F166 WeakPolarHBondContact ND2-CD2 3.32Å; N51-F166 WeakPolarHBondContact ND2-CE2 3.35Å; G162-F166 WeakPolarHBondContact O-CB 3.43Å; G162-F166 WeakPolarHBondContact O-CD2 3.41Å; G162-F166 PolarHBondContact O-N 3.15Å; F166-L169 PolarHBondContact O-N 2.99Å; F166-Y170 PolarHBondContact O-N 3.23Å
167G97.2Very high96.1Very high0 Ų055.2 Ų55.20%028%0.281CS..Hα-helixtrans-61.4-47169.200000111.8V163 F164 L169 Y170 V171V163-G167 WeakPolarHBondContact O-CA 3.48Å; V163-G167 PolarHBondContact O-N 3.06Å; F164-G167 PolarHBondContact O-N 2.83Å; G167-L169 VanDerWaalsContact C-N 3.34Å; G167-L169 PolarHBondContact O-N 3.49Å; G167-Y170 WeakPolarHBondContact O-CB 3.49Å; G167-Y170 PolarHBondContact O-N 3.29Å; G167-V171 WeakPolarHBondContact O-CG2 3.41Å; G167-V171 PolarHBondContact O-N 3.32Å
168L96.9Very high95.6Very high75 Ų7558.2 Ų58.239%0.39330%0.295SS..Hα-helixtrans-60.1-43.4175.6-179.260.5000111.4F164 G165 Y170 V171 L172 M190F164-L168 WeakPolarHBondContact O-CB 3.28Å; F164-L168 PolarHBondContact O-N 3.44Å; G165-L168 PolarHBondContact O-N 2.93Å; L168-Y170 PolarHBondContact O-N 3.45Å; L168-V171 PolarHBondContact O-N 2.92Å; L168-L172 HydrophobicContact CD1-CD1 4.15Å; L168-L172 HydrophobicContact CD1-CG 4.16Å; L168-L172 HydrophobicContact CG-CD1 3.96Å; L168-L172 HydrophobicContact CG-CG 4.41Å; L168-L172 WeakPolarHBondContact O-CB 3.24Å; L168-L172 VanDerWaalsContact O-CG 3.28Å; L168-L172 WeakPolarHBondContact O-CG 3.33Å; L168-L172 PolarHBondContact O-N 2.85Å; L168-M190 HydrophobicContact CB-CE 3.67Å; L168-M190 HydrophobicContact CD1-CE 4.08Å; L168-M190 HydrophobicContact CG-CE 4.46Å; L168-M190 PolarHBondContact N-SD 2.88Å; L168-M190 VanDerWaalsContact N-SD 3.42Å
169L96.4Very high95.2Very high75 Ų7562.5 Ų62.539%0.39332%0.324SS..Hα-helixtrans-60.8-42.1175.4-17861.9000112.4L39 V43 G165 F166 G167 Y173L39-L169 HydrophobicContact CD2-CD2 4.4Å; L39-L169 HydrophobicContact CD2-CG 4.45Å; V43-L169 HydrophobicContact CG1-CD2 4.14Å; V43-L169 HydrophobicContact CG2-CD2 4.04Å; V43-L169 HydrophobicContact CG2-CG 4.47Å; G165-L169 PolarHBondContact O-N 2.9Å; F166-L169 PolarHBondContact O-N 2.99Å; G167-L169 VanDerWaalsContact C-N 3.34Å; G167-L169 PolarHBondContact O-N 3.49Å; L169-Y173 PolarHBondContact O-N 3.23Å
170Y96.1Very high95Very high3 Ų363.3 Ų63.31%0.01233%0.334CS..Hα-helixtrans-61.3-47.3174175.8-77.9000111.3T35 L39 F166 G167 L168 Y173 H174 R182 T183 T186T35-Y170 VanDerWaalsContact CG2-CB 3.5Å; T35-Y170 HydrophobicContact CG2-CD1 4.26Å; T35-Y170 HydrophobicContact CG2-CD2 3.89Å; T35-Y170 HydrophobicContact CG2-CG 3.61Å; T35-Y170 WeakPolarHBondContact O-CD2 3.23Å; L39-Y170 HydrophobicContact CG-CD2 4.39Å; F166-Y170 PolarHBondContact O-N 3.23Å; G167-Y170 WeakPolarHBondContact O-CB 3.49Å; G167-Y170 PolarHBondContact O-N 3.29Å; L168-Y170 PolarHBondContact O-N 3.45Å; Y170-Y173 PolarHBondContact O-N 3.11Å; Y170-H174 AromaticContact CD1-ND1 3.86Å; Y170-H174 AromaticContact CD2-CE1 3.76Å; Y170-H174 AromaticContact CD2-ND1 3.93Å; Y170-H174 HydrophobicContact CE1-CB 4.31Å; Y170-H174 AromaticContact CE1-CG 3.95Å; Y170-H174 AromaticContact CE1-ND1 3.59Å; Y170-H174 AromaticContact CE2-CE1 3.36Å; Y170-H174 WeakPolarHBondContact CE2-CE1 3.45Å; Y170-H174 AromaticContact CE2-ND1 3.72Å; Y170-H174 AromaticContact CE2-NE2 3.98Å; Y170-H174 AromaticContact CG-ND1 3.97Å; Y170-H174 AromaticContact CZ-CE1 3.49Å; Y170-H174 VanDerWaalsContact CZ-CE1 3.49Å; Y170-H174 AromaticContact CZ-CG 3.93Å; Y170-H174 AromaticContact CZ-ND1 3.51Å; Y170-H174 AromaticContact CZ-NE2 3.86Å; Y170-H174 PolarHBondContact O-N 3.15Å; Y170-H174 VanDerWaalsContact O-N 3.17Å; Y170-H174 PolarHBondContact O-ND1 3.4Å; Y170-R182 VanDerWaalsContact OH-CB 3.23Å; Y170-R182 WeakPolarHBondContact OH-CB 3.43Å; Y170-R182 PolarHBondContact OH-NE 3.5Å; Y170-T183 HydrophobicContact CE1-CG2 4.33Å; Y170-T186 HydrophobicContact CD1-CG2 4.07Å
171V95.6Very high94.8Very high19 Ų1967.6 Ų67.612%0.11536%0.36CS..Hα-helixtrans-65-40.7-177.8172.50000111.3G167 L168 Y173 H174 I175 L178 T183 T186 M187 M190G167-V171 WeakPolarHBondContact O-CG2 3.41Å; G167-V171 PolarHBondContact O-N 3.32Å; L168-V171 PolarHBondContact O-N 2.92Å; V171-Y173 VanDerWaalsContact C-N 3.28Å; V171-Y173 PolarHBondContact O-N 3.13Å; V171-H174 CarbonylContact O-C 3.17Å; V171-H174 VanDerWaalsContact O-C 3.3Å; V171-H174 PolarHBondContact O-N 2.99Å; V171-H174 VanDerWaalsContact O-N 3.13Å; V171-I175 PolarHBondContact O-N 3.28Å; V171-L178 HydrophobicContact CG1-CD2 3.72Å; V171-T183 HydrophobicContact CG1-CG2 4.36Å; V171-T183 HydrophobicContact CG2-CG2 4.11Å; V171-T186 HydrophobicContact CG2-CG2 3.87Å; V171-M187 HydrophobicContact CG1-CG 4.43Å; V171-M187 HydrophobicContact CG2-CG 3.94Å; V171-M190 HydrophobicContact CG2-SD 3.98Å
172L94.4Very high94.6Very high105 Ų10568.7 Ų68.755%0.5536%0.359SS..Hα-helixtrans-64.4-30.7175.6-71.3170.9000112.9L168L168-L172 HydrophobicContact CD1-CD1 4.15Å; L168-L172 HydrophobicContact CD1-CG 4.16Å; L168-L172 HydrophobicContact CG-CD1 3.96Å; L168-L172 HydrophobicContact CG-CG 4.41Å; L168-L172 WeakPolarHBondContact O-CB 3.24Å; L168-L172 VanDerWaalsContact O-CG 3.28Å; L168-L172 WeakPolarHBondContact O-CG 3.33Å; L168-L172 PolarHBondContact O-N 2.85Å
173Y93Very high94.5Very high140 Ų14068.3 Ų68.355%0.54936%0.355SS..Hα-helixtrans-76.6-21.8174.6-162.5-92.1000113.1Y42 L169 Y170 V171Y42-Y173 AromaticContact CD1-CE1 3.58Å; Y42-Y173 HydrophobicContact CD1-CE1 3.58Å; Y42-Y173 AromaticContact CD1-CZ 3.85Å; Y42-Y173 AromaticContact CD2-CD1 3.98Å; Y42-Y173 HydrophobicContact CD2-CD1 3.98Å; Y42-Y173 AromaticContact CD2-CE1 3.74Å; Y42-Y173 HydrophobicContact CD2-CE1 3.74Å; Y42-Y173 HydrophobicContact CE1-CE1 4.02Å; Y42-Y173 HydrophobicContact CE2-CD1 4.47Å; Y42-Y173 HydrophobicContact CE2-CE1 4.17Å; Y42-Y173 HydrophobicContact CG-CD1 4.05Å; Y42-Y173 AromaticContact CG-CE1 3.43Å; Y42-Y173 HydrophobicContact CG-CE1 3.43Å; Y42-Y173 VanDerWaalsContact CG-CE1 3.43Å; Y42-Y173 AromaticContact CG-CZ 3.88Å; L169-Y173 PolarHBondContact O-N 3.23Å; Y170-Y173 PolarHBondContact O-N 3.11Å; V171-Y173 VanDerWaalsContact C-N 3.28Å; V171-Y173 PolarHBondContact O-N 3.13Å
174H92Very high94.4Very high17 Ų1770.1 Ų70.18%0.07937%0.371CS..THydrogen-bonded Turntrans-116.136.9-179.2-59.583000111.7Y42 Y170 V171 E176 E177 L178 T183Y42-H174 AromaticContact CD2-CE1 4Å; Y42-H174 AromaticContact CE2-CE1 3.9Å; Y42-H174 AromaticContact CE2-NE2 3.62Å; Y170-H174 AromaticContact CD1-ND1 3.86Å; Y170-H174 AromaticContact CD2-CE1 3.76Å; Y170-H174 AromaticContact CD2-ND1 3.93Å; Y170-H174 HydrophobicContact CE1-CB 4.31Å; Y170-H174 AromaticContact CE1-CG 3.95Å; Y170-H174 AromaticContact CE1-ND1 3.59Å; Y170-H174 AromaticContact CE2-CE1 3.36Å; Y170-H174 WeakPolarHBondContact CE2-CE1 3.45Å; Y170-H174 AromaticContact CE2-ND1 3.72Å; Y170-H174 AromaticContact CE2-NE2 3.98Å; Y170-H174 AromaticContact CG-ND1 3.97Å; Y170-H174 AromaticContact CZ-CE1 3.49Å; Y170-H174 VanDerWaalsContact CZ-CE1 3.49Å; Y170-H174 AromaticContact CZ-CG 3.93Å; Y170-H174 AromaticContact CZ-ND1 3.51Å; Y170-H174 AromaticContact CZ-NE2 3.86Å; Y170-H174 PolarHBondContact O-N 3.15Å; Y170-H174 VanDerWaalsContact O-N 3.17Å; Y170-H174 PolarHBondContact O-ND1 3.4Å; V171-H174 CarbonylContact O-C 3.17Å; V171-H174 VanDerWaalsContact O-C 3.3Å; V171-H174 PolarHBondContact O-N 2.99Å; V171-H174 VanDerWaalsContact O-N 3.13Å; H174-E176 PolarHBondContact O-N 3.14Å; H174-E177 HydrophobicContact CB-CB 4.44Å; H174-E177 CarbonylContact O-C 3.56Å; H174-E177 WeakPolarHBondContact O-CA 3.35Å; H174-E177 PolarHBondContact O-N 3.48Å; H174-L178 PolarHBondContact O-N 2.88Å; H174-T183 HydrophobicContact CB-CG2 4.41Å
175I92.3Very high94.3Very high96 Ų9667.6 Ų67.649%0.49236%0.362SS..G310 helixtrans-65.3-22.6-175.9-164.2167.1000113.5V171 L178V171-I175 PolarHBondContact O-N 3.28Å; I175-L178 HydrophobicContact CG1-CD1 4.44Å; I175-L178 WeakPolarHBondContact O-CG 3.46Å
176E91.9Very high94.3Very high176 Ų17666 Ų6682%0.82235%0.345SS*.G310 helixtrans-80.4-19.4171.6-50-54.8145.100112.7H174H174-E176 PolarHBondContact O-N 3.14Å
177E90.4Very high94.2Very high94 Ų9467.3 Ų67.344%0.43935%0.353SS..G310 helixtrans-113.136.8-177.6-65.5-168.6174.800112.5H174 S179 G180 R182 T183H174-E177 HydrophobicContact CB-CB 4.44Å; H174-E177 CarbonylContact O-C 3.56Å; H174-E177 WeakPolarHBondContact O-CA 3.35Å; H174-E177 PolarHBondContact O-N 3.48Å; E177-S179 PolarHBondContact O-N 3.33Å; E177-G180 PolarHBondContact O-N 3.2Å; E177-R182 IonicContact OE2-NH2 2.7Å; E177-T183 VanDerWaalsContact O-CB 3.26Å; E177-T183 WeakPolarHBondContact O-CB 3.12Å; E177-T183 PolarHBondContact O-OG1 3.36Å
178L89.5Confident94.2Very high79 Ų7970 Ų7041%0.41438%0.376SS..THydrogen-bonded Turntrans-60.4-31.1-179.7-69.1171.5000113.7V171 H174 I175 G180 T183 M187V171-L178 HydrophobicContact CG1-CD2 3.72Å; H174-L178 PolarHBondContact O-N 2.88Å; I175-L178 HydrophobicContact CG1-CD1 4.44Å; I175-L178 WeakPolarHBondContact O-CG 3.46Å; L178-G180 VanDerWaalsContact C-N 3.3Å; L178-T183 HydrophobicContact CD2-CG2 4.06Å; L178-M187 HydrophobicContact CD2-SD 4.28Å
179S89.9Confident94.3Very high116 Ų11666.8 Ų66.881%0.81136%0.359SS*.THydrogen-bonded Turntrans-78.3-11173.955.20000113.8E177E177-S179 PolarHBondContact O-N 3.33Å
180G94.1Very high94.3Very high22 Ų2264.1 Ų64.123%0.22735%0.345CS..SBendtrans-65.6137.2178.800000111.8E177 L178 R182 T183 A184E177-G180 PolarHBondContact O-N 3.2Å; L178-G180 VanDerWaalsContact C-N 3.3Å; G180-R182 VanDerWaalsContact C-N 3.26Å; G180-R182 PolarHBondContact O-N 3.4Å; G180-R182 VanDerWaalsContact O-N 3.13Å; G180-T183 WeakPolarHBondContact O-CA 3.16Å; G180-T183 WeakPolarHBondContact O-CB 3.33Å; G180-T183 PolarHBondContact O-N 3.38Å; G180-A184 PolarHBondContact O-N 3.06Å
181V94.3Very high94.4Very high106 Ų10667.9 Ų67.964%0.64237%0.371SS*.Hα-helixtrans-54.3-39.5-172-177.90000112.8F34 T183 V185F34-V181 HydrophobicContact CE1-CG1 4.38Å; V181-T183 PolarHBondContact O-N 3.46Å; V181-V185 HydrophobicContact CG1-CG2 4.38Å; V181-V185 WeakPolarHBondContact O-CB 3.23Å; V181-V185 VanDerWaalsContact O-CG2 3.28Å; V181-V185 WeakPolarHBondContact O-CG2 3.35Å; V181-V185 PolarHBondContact O-N 2.8Å
182R93.9Very high94.4Very high126 Ų12669.1 Ų69.148%0.47538%0.378SS..Hα-helixtrans-61.7-42.3175.8-64.1-175.7-63.9-106.4-5.2112.3F34 Y170 E177 G180 T186F34-R182 HydrophobicContact CD1-CG 4.33Å; Y170-R182 VanDerWaalsContact OH-CB 3.23Å; Y170-R182 WeakPolarHBondContact OH-CB 3.43Å; Y170-R182 PolarHBondContact OH-NE 3.5Å; E177-R182 IonicContact OE2-NH2 2.7Å; G180-R182 VanDerWaalsContact C-N 3.26Å; G180-R182 PolarHBondContact O-N 3.4Å; G180-R182 VanDerWaalsContact O-N 3.13Å; R182-T186 WeakPolarHBondContact O-CB 3.2Å; R182-T186 PolarHBondContact O-N 2.89Å; R182-T186 PolarHBondContact O-OG1 3Å
183T94.9Very high94.6Very high0 Ų064.7 Ų64.70%036%0.356CS..Hα-helixtrans-71.7-45.5-179-37.60000110.6Y170 V171 H174 E177 L178 G180 V181 V185 T186 M187Y170-T183 HydrophobicContact CE1-CG2 4.33Å; V171-T183 HydrophobicContact CG1-CG2 4.36Å; V171-T183 HydrophobicContact CG2-CG2 4.11Å; H174-T183 HydrophobicContact CB-CG2 4.41Å; E177-T183 VanDerWaalsContact O-CB 3.26Å; E177-T183 WeakPolarHBondContact O-CB 3.12Å; E177-T183 PolarHBondContact O-OG1 3.36Å; L178-T183 HydrophobicContact CD2-CG2 4.06Å; G180-T183 WeakPolarHBondContact O-CA 3.16Å; G180-T183 WeakPolarHBondContact O-CB 3.33Å; G180-T183 PolarHBondContact O-N 3.38Å; V181-T183 PolarHBondContact O-N 3.46Å; T183-V185 PolarHBondContact O-N 2.91Å; T183-T186 WeakPolarHBondContact O-CB 3.44Å; T183-T186 PolarHBondContact O-N 3.5Å; T183-M187 WeakPolarHBondContact O-CG 3.39Å; T183-M187 PolarHBondContact O-N 3.07Å
184A95.9Very high94.7Very high47 Ų4759.1 Ų59.139%0.38834%0.342SS..Hα-helixtrans-60.5-43.7175.400000112.8G180 M187 A188G180-A184 PolarHBondContact O-N 3.06Å; A184-M187 PolarHBondContact O-N 3.33Å; A184-A188 PolarHBondContact O-N 3.24Å
185V96.8Very high94.9Very high33 Ų3364.8 Ų64.820%0.237%0.372CS..Hα-helixtrans-65.9-40.3174.3172.70000111.3L30 F34 V181 T183 M187 A188 V189L30-V185 HydrophobicContact CB-CG1 4.17Å; L30-V185 HydrophobicContact CD2-CG1 4.22Å; F34-V185 HydrophobicContact CB-CB 4.26Å; F34-V185 HydrophobicContact CB-CG1 3.99Å; F34-V185 HydrophobicContact CD1-CB 4.26Å; F34-V185 HydrophobicContact CD1-CG1 4.38Å; F34-V185 HydrophobicContact CD1-CG2 4.31Å; F34-V185 HydrophobicContact CD2-CB 4.37Å; F34-V185 HydrophobicContact CD2-CG1 3.63Å; F34-V185 HydrophobicContact CE1-CG2 4.37Å; F34-V185 HydrophobicContact CE2-CG1 4.2Å; F34-V185 HydrophobicContact CG-CB 4.04Å; F34-V185 HydrophobicContact CG-CG1 3.73Å; F34-V185 HydrophobicContact CG-CG2 4.46Å; V181-V185 HydrophobicContact CG1-CG2 4.38Å; V181-V185 WeakPolarHBondContact O-CB 3.23Å; V181-V185 VanDerWaalsContact O-CG2 3.28Å; V181-V185 WeakPolarHBondContact O-CG2 3.35Å; V181-V185 PolarHBondContact O-N 2.8Å; T183-V185 PolarHBondContact O-N 2.91Å; V185-M187 PolarHBondContact O-N 3.03Å; V185-A188 PolarHBondContact O-N 3.25Å; V185-V189 WeakPolarHBondContact O-CG2 3.49Å; V185-V189 PolarHBondContact O-N 2.88Å
186T96.4Very high95.1Very high1 Ų163.6 Ų63.61%0.00636%0.364CS..Hα-helixtrans-60.4-45.5175.2-60.90000111.2T35 Y170 V171 R182 T183 A188 V189 M190T35-T186 HydrophobicContact CG2-CG2 3.56Å; T35-T186 PolarHBondContact OG1-OG1 3.34Å; Y170-T186 HydrophobicContact CD1-CG2 4.07Å; V171-T186 HydrophobicContact CG2-CG2 3.87Å; R182-T186 WeakPolarHBondContact O-CB 3.2Å; R182-T186 PolarHBondContact O-N 2.89Å; R182-T186 PolarHBondContact O-OG1 3Å; T183-T186 WeakPolarHBondContact O-CB 3.44Å; T183-T186 PolarHBondContact O-N 3.5Å; T186-A188 PolarHBondContact O-N 3.43Å; T186-V189 PolarHBondContact O-N 3.22Å; T186-M190 HydrophobicContact CG2-SD 4.23Å; T186-M190 WeakPolarHBondContact O-CG 3.37Å; T186-M190 PolarHBondContact O-N 2.91Å
187M96.9Very high95.3Very high84 Ų8458.9 Ų58.941%0.41434%0.34SS..Hα-helixtrans-60.9-44175-73.1174.361.100112V171 L178 T183 A184 V185 V189 M190 C191V171-M187 HydrophobicContact CG1-CG 4.43Å; V171-M187 HydrophobicContact CG2-CG 3.94Å; L178-M187 HydrophobicContact CD2-SD 4.28Å; T183-M187 WeakPolarHBondContact O-CG 3.39Å; T183-M187 PolarHBondContact O-N 3.07Å; A184-M187 PolarHBondContact O-N 3.33Å; V185-M187 PolarHBondContact O-N 3.03Å; M187-V189 VanDerWaalsContact C-N 3.34Å; M187-V189 PolarHBondContact O-N 3.44Å; M187-M190 WeakPolarHBondContact O-CB 3.5Å; M187-M190 PolarHBondContact O-N 2.83Å; M187-C191 PolarHBondContact O-N 2.91Å; M187-C191 PolarHBondContact O-SG 2.89Å
188A97.3Very high95.6Very high57 Ų5760.7 Ų60.747%0.47135%0.352SS..Hα-helixtrans-60.7-42.3176.500000112.2A184 V185 T186 C191 V192A184-A188 PolarHBondContact O-N 3.24Å; V185-A188 PolarHBondContact O-N 3.25Å; T186-A188 PolarHBondContact O-N 3.43Å; A188-C191 PolarHBondContact O-N 3.48Å; A188-V192 WeakPolarHBondContact O-CG2 3.44Å; A188-V192 PolarHBondContact O-N 3.44Å; A188-V192 VanDerWaalsContact O-N 3.09Å
189V97.6Very high96Very high6 Ų660.6 Ų60.64%0.03636%0.356CS..Hα-helixtrans-63.7-42.1173.9170.90000111.4A27 L30 F31 V163 V185 T186 M187 C191 V192 A193A27-V189 HydrophobicContact CB-CG1 4.43Å; L30-V189 HydrophobicContact CB-CG2 3.62Å; L30-V189 HydrophobicContact CD1-CG2 4.15Å; F31-V189 HydrophobicContact CB-CG1 4.3Å; V163-V189 HydrophobicContact CG1-CG1 3.66Å; V185-V189 WeakPolarHBondContact O-CG2 3.49Å; V185-V189 PolarHBondContact O-N 2.88Å; T186-V189 PolarHBondContact O-N 3.22Å; M187-V189 VanDerWaalsContact C-N 3.34Å; M187-V189 PolarHBondContact O-N 3.44Å; V189-C191 PolarHBondContact O-N 2.95Å; V189-V192 PolarHBondContact O-N 2.72Å; V189-A193 WeakPolarHBondContact O-CB 3.47Å; V189-A193 PolarHBondContact O-N 3.3Å
190M97.4Very high96.3Very high19 Ų1956 Ų569%0.09432%0.323CS..Hα-helixtrans-62.1-40.4174.8-72171.864.600112.5F164 L168 V171 T186 M187 A193 G194F164-M190 HydrophobicContact CD2-CB 4.12Å; F164-M190 HydrophobicContact CD2-CE 4.46Å; F164-M190 HydrophobicContact CD2-CG 4.48Å; F164-M190 HydrophobicContact CE1-CE 4.49Å; F164-M190 HydrophobicContact CE2-CB 4.22Å; F164-M190 HydrophobicContact CE2-CE 4.14Å; F164-M190 HydrophobicContact CZ-CE 4.16Å; L168-M190 HydrophobicContact CB-CE 3.67Å; L168-M190 HydrophobicContact CD1-CE 4.08Å; L168-M190 HydrophobicContact CG-CE 4.46Å; L168-M190 PolarHBondContact N-SD 2.88Å; L168-M190 VanDerWaalsContact N-SD 3.42Å; V171-M190 HydrophobicContact CG2-SD 3.98Å; T186-M190 HydrophobicContact CG2-SD 4.23Å; T186-M190 WeakPolarHBondContact O-CG 3.37Å; T186-M190 PolarHBondContact O-N 2.91Å; M187-M190 WeakPolarHBondContact O-CB 3.5Å; M187-M190 PolarHBondContact O-N 2.83Å; M190-A193 PolarHBondContact O-N 3.46Å; M190-G194 PolarHBondContact O-N 3.25Å
191C97.4Very high96.5Very high83 Ų8356.4 Ų56.456%0.56132%0.324SS*.Hα-helixtrans-61.6-46.6175.1-69.40000111.4M187 A188 V189 G194 L195M187-C191 PolarHBondContact O-N 2.91Å; M187-C191 PolarHBondContact O-SG 2.89Å; A188-C191 PolarHBondContact O-N 3.48Å; V189-C191 PolarHBondContact O-N 2.95Å; C191-G194 PolarHBondContact O-N 3.1Å; C191-L195 VanDerWaalsContact O-CG 3.29Å; C191-L195 WeakPolarHBondContact O-CG 3.26Å; C191-L195 PolarHBondContact O-N 3.15Å
192V96.7Very high96.7Very high45 Ų4553.6 Ų53.627%0.27332%0.317SS..Hα-helixtrans-62.2-44.2175.81740000111.2F23 A188 V189 G194 L195 F196F23-V192 HydrophobicContact CD1-CG1 4.21Å; A188-V192 WeakPolarHBondContact O-CG2 3.44Å; A188-V192 PolarHBondContact O-N 3.44Å; A188-V192 VanDerWaalsContact O-N 3.09Å; V189-V192 PolarHBondContact O-N 2.72Å; V192-G194 PolarHBondContact O-N 3.24Å; V192-L195 PolarHBondContact O-N 3.05Å; V192-F196 HydrophobicContact CG1-CD2 3.91Å; V192-F196 HydrophobicContact CG1-CE2 3.85Å; V192-F196 VanDerWaalsContact O-CD2 3.28Å; V192-F196 WeakPolarHBondContact O-CD2 3.36Å; V192-F196 PolarHBondContact O-N 3.06Å
193A97Very high96.8Very high11 Ų1151 Ų519%0.09131%0.312CS..Hα-helixtrans-60.9-44.7176.700000112.1I160 V163 V189 M190 F196 F197I160-A193 HydrophobicContact CG2-CB 4.29Å; I160-A193 WeakPolarHBondContact CG2-O 3.36Å; V163-A193 HydrophobicContact CG1-CB 4.39Å; V189-A193 WeakPolarHBondContact O-CB 3.47Å; V189-A193 PolarHBondContact O-N 3.3Å; M190-A193 PolarHBondContact O-N 3.46Å; A193-F196 PolarHBondContact O-N 3.02Å; A193-F197 WeakPolarHBondContact O-CB 3.19Å; A193-F197 PolarHBondContact O-N 3.03Å
194G96.3Very high97Very high24 Ų2451.4 Ų51.425%0.24731%0.314CS..Hα-helixtrans-64.3-39.5177.700000113.5M190 C191 V192 F196 F197M190-G194 PolarHBondContact O-N 3.25Å; C191-G194 PolarHBondContact O-N 3.1Å; V192-G194 PolarHBondContact O-N 3.24Å; G194-F196 VanDerWaalsContact C-N 3.34Å; G194-F196 PolarHBondContact O-N 3.38Å; G194-F197 PolarHBondContact O-N 3.35Å
195L96.6Very high97.1Very high135 Ų13551 Ų5171%0.70732%0.315SS*.Hα-helixtrans-61.9-39.3175-73.7168.8000112.3C191 V192 P199C191-L195 VanDerWaalsContact O-CG 3.29Å; C191-L195 WeakPolarHBondContact O-CG 3.26Å; C191-L195 PolarHBondContact O-N 3.15Å; V192-L195 PolarHBondContact O-N 3.05Å; L195-P199 WeakPolarHBondContact O-CD 3.27Å
196F96.1Very high97.1Very high72 Ų7253.2 Ų53.232%0.31632%0.322SS..Hα-helixtrans-81.8-21.7176-73.2-63.4000113.9F23 I160 V192 A193 G194 I198 P199 V200F23-F196 HydrophobicContact CB-CE2 4.12Å; F23-F196 HydrophobicContact CB-CZ 4.47Å; F23-F196 HydrophobicContact CD1-CE2 4.01Å; F23-F196 HydrophobicContact CD1-CZ 4.44Å; F23-F196 HydrophobicContact CD2-CE2 4.13Å; F23-F196 AromaticContact CD2-CZ 3.8Å; F23-F196 HydrophobicContact CD2-CZ 3.8Å; F23-F196 HydrophobicContact CE1-CE2 4.47Å; F23-F196 HydrophobicContact CE2-CZ 4.11Å; F23-F196 AromaticContact CG-CE2 3.83Å; F23-F196 HydrophobicContact CG-CE2 3.83Å; F23-F196 HydrophobicContact CG-CZ 4Å; I160-F196 HydrophobicContact CD1-CB 4.3Å; V192-F196 HydrophobicContact CG1-CD2 3.91Å; V192-F196 HydrophobicContact CG1-CE2 3.85Å; V192-F196 VanDerWaalsContact O-CD2 3.28Å; V192-F196 WeakPolarHBondContact O-CD2 3.36Å; V192-F196 PolarHBondContact O-N 3.06Å; A193-F196 PolarHBondContact O-N 3.02Å; G194-F196 VanDerWaalsContact C-N 3.34Å; G194-F196 PolarHBondContact O-N 3.38Å; F196-I198 PolarHBondContact O-N 2.92Å; F196-P199 WeakPolarHBondContact O-CD 3.38Å; F196-P199 WeakPolarHBondContact O-CG 3.25Å; F196-V200 VanDerWaalsContact O-CB 3.31Å; F196-V200 WeakPolarHBondContact O-CB 3.42Å; F196-V200 VanDerWaalsContact O-CG2 3.22Å; F196-V200 WeakPolarHBondContact O-CG2 3.47Å; F196-V200 PolarHBondContact O-N 2.95Å; F196-V200 VanDerWaalsContact O-N 3.14Å
197F96.9Very high97.2Very high77 Ų7753.3 Ų53.334%0.33832%0.322SS..Hα-helixtrans-57.6-52.3-177.3178.6-112.7000112.9T157 I160 M161 A193 G194 V200 A201T157-F197 HydrophobicContact CG2-CE2 4.25Å; I160-F197 HydrophobicContact CG2-CB 3.76Å; I160-F197 HydrophobicContact CG2-CD2 3.85Å; I160-F197 HydrophobicContact CG2-CG 4.25Å; M161-F197 HydrophobicContact CG-CD2 4.24Å; M161-F197 HydrophobicContact CG-CE2 3.57Å; M161-F197 HydrophobicContact CG-CZ 4.33Å; M161-F197 HydrophobicContact SD-CE2 4.06Å; M161-F197 HydrophobicContact SD-CZ 4.46Å; A193-F197 WeakPolarHBondContact O-CB 3.19Å; A193-F197 PolarHBondContact O-N 3.03Å; G194-F197 PolarHBondContact O-N 3.35Å; F197-V200 PolarHBondContact O-N 2.98Å; F197-A201 HydrophobicContact CD2-CB 4.36Å; F197-A201 HydrophobicContact CE2-CB 4.03Å; F197-A201 HydrophobicContact CZ-CB 4.17Å; F197-A201 WeakPolarHBondContact O-CB 3.27Å; F197-A201 PolarHBondContact O-N 2.89Å
198I95.8Very high97.2Very high131 Ų13152.4 Ų52.467%0.67232%0.321SS*.Hα-helixtrans-57.4-54.7-176-60.3175.7000112.4F196 G202F196-I198 PolarHBondContact O-N 2.92Å; I198-G202 PolarHBondContact O-N 3.46Å
199P97.1Very high97.1Very high77 Ų7753.4 Ų53.450%0.532%0.321SS..Hα-helixtrans-67.2-36.2179.625-33.9000113.3L195 F196 L203L195-P199 WeakPolarHBondContact O-CD 3.27Å; F196-P199 WeakPolarHBondContact O-CD 3.38Å; F196-P199 WeakPolarHBondContact O-CG 3.25Å; P199-L203 WeakPolarHBondContact O-CB 3.36Å; P199-L203 PolarHBondContact O-N 3.16Å
200V97.8Very high97Very high21 Ų2153.3 Ų53.313%0.12732%0.321CS..Hα-helixtrans-71.2-43.1-179.91740000111.4L156 I160 F196 F197 L203 T204L156-V200 HydrophobicContact CB-CG1 4.45Å; L156-V200 HydrophobicContact CD2-CG1 3.84Å; L156-V200 HydrophobicContact CD2-CG2 4.11Å; L156-V200 HydrophobicContact CG-CG1 4.02Å; I160-V200 HydrophobicContact CD1-CB 4.28Å; I160-V200 HydrophobicContact CD1-CG1 4.24Å; I160-V200 HydrophobicContact CD1-CG2 4.29Å; F196-V200 VanDerWaalsContact O-CB 3.31Å; F196-V200 WeakPolarHBondContact O-CB 3.42Å; F196-V200 VanDerWaalsContact O-CG2 3.22Å; F196-V200 WeakPolarHBondContact O-CG2 3.47Å; F196-V200 PolarHBondContact O-N 2.95Å; F196-V200 VanDerWaalsContact O-N 3.14Å; F197-V200 PolarHBondContact O-N 2.98Å; V200-L203 PolarHBondContact O-N 3Å; V200-T204 WeakPolarHBondContact O-CB 3.15Å; V200-T204 PolarHBondContact O-N 2.9Å; V200-T204 PolarHBondContact O-OG1 3.24Å
201A97.6Very high96.9Very high29 Ų2952.7 Ų52.724%0.2432%0.318CS..Hα-helixtrans-65.1-41.7175.900000111.6T157 F197 T204 G205T157-A201 HydrophobicContact CG2-CB 4.21Å; F197-A201 HydrophobicContact CD2-CB 4.36Å; F197-A201 HydrophobicContact CE2-CB 4.03Å; F197-A201 HydrophobicContact CZ-CB 4.17Å; F197-A201 WeakPolarHBondContact O-CB 3.27Å; F197-A201 PolarHBondContact O-N 2.89Å; A201-T204 PolarHBondContact O-N 3.23Å; A201-G205 PolarHBondContact O-N 3.22Å
202G97.8Very high96.7Very high48 Ų4850 Ų5050%0.49530%0.302SS..Hα-helixtrans-61.2-45.9175.100000113I198 T204 G205 F206I198-G202 PolarHBondContact O-N 3.46Å; G202-T204 VanDerWaalsContact C-N 3.35Å; G202-G205 PolarHBondContact O-N 3.04Å; G202-F206 PolarHBondContact O-N 3.2Å
203L97.1Very high96.5Very high70 Ų7055 Ų5537%0.36632%0.315SS..Hα-helixtrans-63.4-40.4174.9-178.461.2000111.8L153 P199 V200 F206 H207L153-L203 HydrophobicContact CD1-CD2 4.32Å; L153-L203 HydrophobicContact CD1-CG 4Å; L153-L203 HydrophobicContact CD2-CD2 3.76Å; L153-L203 HydrophobicContact CD2-CG 4.15Å; P199-L203 WeakPolarHBondContact O-CB 3.36Å; P199-L203 PolarHBondContact O-N 3.16Å; V200-L203 PolarHBondContact O-N 3Å; L203-F206 HydrophobicContact CD1-CD1 4.49Å; L203-F206 PolarHBondContact O-N 3.15Å; L203-H207 PolarHBondContact O-CD2 2.89Å; L203-H207 PolarHBondContact O-N 2.87Å
204T98.3Very high96.3Very high10 Ų1055 Ų556%0.06132%0.316CS..Hα-helixtrans-62.9-47.3176.9-58.90000111.2L153 L154 T157 V200 A201 G202 F206 H207 V208L153-T204 HydrophobicContact CB-CG2 4.42Å; L153-T204 PolarHBondContact O-OG1 3.49Å; L154-T204 HydrophobicContact CD2-CG2 3.73Å; L154-T204 HydrophobicContact CG-CG2 4.29Å; T157-T204 PolarHBondContact OG1-OG1 3.44Å; V200-T204 WeakPolarHBondContact O-CB 3.15Å; V200-T204 PolarHBondContact O-N 2.9Å; V200-T204 PolarHBondContact O-OG1 3.24Å; A201-T204 PolarHBondContact O-N 3.23Å; G202-T204 VanDerWaalsContact C-N 3.35Å; T204-F206 PolarHBondContact O-N 3.13Å; T204-H207 PolarHBondContact O-N 3.11Å; T204-V208 WeakPolarHBondContact O-CG2 3.41Å; T204-V208 PolarHBondContact O-N 3.22Å
205G97.9Very high96.2Very high38 Ų3855.8 Ų55.839%0.39231%0.312SS..Hα-helixtrans-60-42.1175.500000112.9A201 G202 V208 V209A201-G205 PolarHBondContact O-N 3.22Å; G202-G205 PolarHBondContact O-N 3.04Å; G205-V208 PolarHBondContact O-N 3.16Å; G205-V209 WeakPolarHBondContact O-CG2 3.22Å; G205-V209 PolarHBondContact O-N 2.91Å; G205-V209 VanDerWaalsContact O-N 3.1Å
206F97.7Very high96.1Very high80 Ų8049.5 Ų49.535%0.35128%0.279SS..Hα-helixtrans-59.4-46.7173.5174.6-108.6000112.2G202 L203 T204 V209 L210 T217G202-F206 PolarHBondContact O-N 3.2Å; L203-F206 HydrophobicContact CD1-CD1 4.49Å; L203-F206 PolarHBondContact O-N 3.15Å; T204-F206 PolarHBondContact O-N 3.13Å; F206-V209 PolarHBondContact O-N 2.88Å; F206-L210 HydrophobicContact CD1-CD1 3.96Å; F206-L210 HydrophobicContact CE1-CD1 3.42Å; F206-L210 VanDerWaalsContact CE1-CD1 3.42Å; F206-L210 HydrophobicContact CE1-CG 4.16Å; F206-L210 HydrophobicContact CE2-CD1 4.43Å; F206-L210 HydrophobicContact CE2-CD2 4.46Å; F206-L210 HydrophobicContact CE2-CG 4.35Å; F206-L210 HydrophobicContact CZ-CD1 3.69Å; F206-L210 HydrophobicContact CZ-CD2 4.23Å; F206-L210 HydrophobicContact CZ-CG 4.07Å; F206-L210 WeakPolarHBondContact O-CG 3.32Å; F206-L210 PolarHBondContact O-N 2.75Å; F206-T217 HydrophobicContact CE1-CG2 3.93Å; F206-T217 HydrophobicContact CZ-CG2 4.19Å
207H97.4Very high96.1Very high2 Ų247.1 Ų47.11%0.00927%0.271CS..Hα-helixtrans-66.8-35.2176.9-85.5-79.4000113.4D131 Y146 F149 F150 L153 L203 T204 V209 L210 V211 T217D131-H207 IonicContact OD2-CE1 3.88Å; Y146-H207 AromaticContact CZ-ND1 3.92Å; Y146-H207 PolarHBondContact OH-ND1 3.28Å; F149-H207 AromaticContact CE1-CE1 3.71Å; F149-H207 AromaticContact CE1-NE2 3.63Å; F150-H207 HydrophobicContact CD2-CB 4.06Å; F150-H207 HydrophobicContact CE2-CB 4.2Å; L153-H207 HydrophobicContact CD1-CB 4.16Å; L203-H207 PolarHBondContact O-CD2 2.89Å; L203-H207 PolarHBondContact O-N 2.87Å; T204-H207 PolarHBondContact O-N 3.11Å; H207-V209 VanDerWaalsContact C-N 3.32Å; H207-V209 PolarHBondContact O-N 3.15Å; H207-L210 PolarHBondContact O-N 2.84Å; H207-V211 WeakPolarHBondContact O-CG2 3.37Å; H207-V211 PolarHBondContact O-N 3.16Å; H207-T217 PolarHBondContact CE1-OG1 3.3Å
208V97.1Very high95.9Very high66 Ų6644.4 Ų44.440%0.426%0.26SS..Hα-helixtrans-59-43.3172168.80000111F150 L154 T204 G205 V211 A212F150-V208 HydrophobicContact CE2-CG2 3.98Å; F150-V208 HydrophobicContact CZ-CG2 4.08Å; L154-V208 HydrophobicContact CD2-CG2 4.26Å; T204-V208 WeakPolarHBondContact O-CG2 3.41Å; T204-V208 PolarHBondContact O-N 3.22Å; G205-V208 PolarHBondContact O-N 3.16Å; V208-V211 PolarHBondContact O-N 2.79Å; V208-A212 WeakPolarHBondContact O-CB 3.37Å; V208-A212 PolarHBondContact O-N 3.18Å
209V95.5Very high95.8Very high78 Ų7838.3 Ų38.347%0.47323%0.229SC..Hα-helixtrans-66.1-39.5176174.40000112.1G205 F206 H207 R213G205-V209 WeakPolarHBondContact O-CG2 3.22Å; G205-V209 PolarHBondContact O-N 2.91Å; G205-V209 VanDerWaalsContact O-N 3.1Å; F206-V209 PolarHBondContact O-N 2.88Å; H207-V209 VanDerWaalsContact C-N 3.32Å; H207-V209 PolarHBondContact O-N 3.15Å; V209-R213 WeakPolarHBondContact O-CB 3.17Å; V209-R213 VanDerWaalsContact O-CG 3.26Å; V209-R213 WeakPolarHBondContact O-CG 3.36Å; V209-R213 PolarHBondContact O-N 2.66Å; V209-R213 VanDerWaalsContact O-N 3.08Å
210L95.4Very high95.6Very high4 Ų438.3 Ų38.32%0.02122%0.222CC..Hα-helixtrans-62.4-48.4175.3-74.8-179.6000112.3F206 H207 R213 G214 R215 T217 Q220F206-L210 HydrophobicContact CD1-CD1 3.96Å; F206-L210 HydrophobicContact CE1-CD1 3.42Å; F206-L210 VanDerWaalsContact CE1-CD1 3.42Å; F206-L210 HydrophobicContact CE1-CG 4.16Å; F206-L210 HydrophobicContact CE2-CD1 4.43Å; F206-L210 HydrophobicContact CE2-CD2 4.46Å; F206-L210 HydrophobicContact CE2-CG 4.35Å; F206-L210 HydrophobicContact CZ-CD1 3.69Å; F206-L210 HydrophobicContact CZ-CD2 4.23Å; F206-L210 HydrophobicContact CZ-CG 4.07Å; F206-L210 WeakPolarHBondContact O-CG 3.32Å; F206-L210 PolarHBondContact O-N 2.75Å; H207-L210 PolarHBondContact O-N 2.84Å; L210-R213 CarbonylContact O-C 3.39Å; L210-R213 PolarHBondContact O-N 2.79Å; L210-G214 PolarHBondContact O-N 3.32Å; L210-R215 HydrophobicContact CD2-CB 4.26Å; L210-R215 PolarHBondContact O-N 3.36Å; L210-T217 VanDerWaalsContact CD1-OG1 3.23Å; L210-T217 WeakPolarHBondContact CD1-OG1 3.39Å; L210-Q220 HydrophobicContact CD2-CB 3.69Å; L210-Q220 HydrophobicContact CD2-CG 4.03Å
211V95.6Very high95.4Very high5 Ų542.6 Ų42.63%0.0325%0.248CC..Hα-helixtrans-60.6-48.8177.4172.30000110.3Y146 F150 H207 V208 R213 G214 N239 V240 V243Y146-V211 HydrophobicContact CE1-CG2 3.8Å; F150-V211 HydrophobicContact CD2-CG2 4.12Å; F150-V211 HydrophobicContact CE1-CG2 4.32Å; F150-V211 HydrophobicContact CE2-CG2 3.92Å; F150-V211 HydrophobicContact CG-CG2 4.4Å; F150-V211 HydrophobicContact CZ-CB 4.35Å; F150-V211 HydrophobicContact CZ-CG2 4.02Å; H207-V211 WeakPolarHBondContact O-CG2 3.37Å; H207-V211 PolarHBondContact O-N 3.16Å; V208-V211 PolarHBondContact O-N 2.79Å; V211-R213 VanDerWaalsContact C-N 3.26Å; V211-R213 PolarHBondContact O-N 2.82Å; V211-G214 PolarHBondContact O-N 3.41Å; V211-N239 WeakPolarHBondContact O-CB 3.34Å; V211-V240 HydrophobicContact CG1-CB 4.36Å; V211-V240 HydrophobicContact CG1-CG2 3.87Å; V211-V243 HydrophobicContact CG1-CB 4.13Å; V211-V243 HydrophobicContact CG1-CG2 3.95Å; V211-V243 HydrophobicContact CG2-CG1 4.36Å; V211-V243 HydrophobicContact CG2-CG2 4.21Å
212A93.9Very high94.9Very high27 Ų2745.2 Ų45.222%0.22326%0.261CS..Hα-helixtrans-55.5-40.3176.900000112.6V208 N239V208-A212 WeakPolarHBondContact O-CB 3.37Å; V208-A212 PolarHBondContact O-N 3.18Å; A212-N239 PolarHBondContact O-ND2 3.23Å
213R92.3Very high94.3Very high149 Ų14943.8 Ų43.856%0.56225%0.246SC*.Hα-helixtrans-83.5-5.4179.5-63.6178.6102.6110.33.3114.4V209 L210 V211 R215 N230V209-R213 WeakPolarHBondContact O-CB 3.17Å; V209-R213 VanDerWaalsContact O-CG 3.26Å; V209-R213 WeakPolarHBondContact O-CG 3.36Å; V209-R213 PolarHBondContact O-N 2.66Å; V209-R213 VanDerWaalsContact O-N 3.08Å; L210-R213 CarbonylContact O-C 3.39Å; L210-R213 PolarHBondContact O-N 2.79Å; V211-R213 VanDerWaalsContact C-N 3.26Å; V211-R213 PolarHBondContact O-N 2.82Å; R213-R215 HydrophobicContact CB-CG 4.37Å; R213-N230 PolarHBondContact O-ND2 3.03Å; R213-N230 VanDerWaalsContact O-ND2 3.13Å
214G92.9Very high93.6Very high11 Ų1145.2 Ų45.211%0.11325%0.249CC..THydrogen-bonded Turntrans6439.2-178.300000113.2L210 V211 N230 N239L210-G214 PolarHBondContact O-N 3.32Å; V211-G214 PolarHBondContact O-N 3.41Å; G214-N230 PolarHBondContact O-ND2 3.09Å; G214-N239 PolarHBondContact N-ND2 2.73Å
215R93.1Very high92.7Very high41 Ų4146 Ų4616%0.15525%0.252CS..  trans-123.9151.8-176.7-67.9-179.6177.7-168.1-5.6111.4L210 R213 E219 F225 N230L210-R215 HydrophobicContact CD2-CB 4.26Å; L210-R215 PolarHBondContact O-N 3.36Å; R213-R215 HydrophobicContact CB-CG 4.37Å; R215-E219 WeakPolarHBondContact CA-OE2 3.5Å; R215-F225 HydrophobicContact CG-CD2 4.48Å; R215-F225 VanDerWaalsContact NH2-CB 3.3Å; R215-F225 PolarHBondContact NH2-O 3.37Å; R215-N230 WeakPolarHBondContact CG-ND2 3.49Å
216T95Very high91.5Very high4 Ų454.7 Ų54.73%0.02527%0.273CS..  trans-84.6160.4163.857.90000112.4D131 N218 E219 Q220D131-T216 HydrophobicContact CB-CG2 4.29Å; D131-T216 WeakPolarHBondContact OD1-CA 3.22Å; D131-T216 WeakPolarHBondContact OD1-CB 3.43Å; T216-N218 VanDerWaalsContact C-N 3.31Å; T216-N218 PolarHBondContact O-N 3.02Å; T216-E219 PolarHBondContact N-OE2 3.13Å; T216-E219 PolarHBondContact O-N 3.25Å; T216-E219 VanDerWaalsContact O-N 3.17Å; T216-E219 WeakPolarHBondContact OG1-CB 3.16Å; T216-E219 WeakPolarHBondContact OG1-CG 3.5Å; T216-E219 PolarHBondContact OG1-N 3Å; T216-E219 PolarHBondContact OG1-OE1 2.98Å; T216-E219 PolarHBondContact OG1-OE2 3.38Å; T216-Q220 PolarHBondContact O-N 2.76Å
217T95.4Very high90Very high22 Ų2255.1 Ų55.114%0.13530%0.3CS..Hα-helixtrans-53.3-49.2166.5-54.10000110.4D131 F206 H207 L210 E219 Q220 V221D131-T217 PolarHBondContact OD1-N 3.19Å; D131-T217 PolarHBondContact OD1-OG1 3.04Å; D131-T217 WeakPolarHBondContact OD2-CB 3.43Å; D131-T217 PolarHBondContact OD2-OG1 3.22Å; F206-T217 HydrophobicContact CE1-CG2 3.93Å; F206-T217 HydrophobicContact CZ-CG2 4.19Å; H207-T217 PolarHBondContact CE1-OG1 3.3Å; L210-T217 VanDerWaalsContact CD1-OG1 3.23Å; L210-T217 WeakPolarHBondContact CD1-OG1 3.39Å; T217-E219 PolarHBondContact O-N 3.25Å; T217-Q220 PolarHBondContact O-N 3.29Å; T217-V221 HydrophobicContact CG2-CG2 4.04Å; T217-V221 WeakPolarHBondContact O-CB 3.23Å; T217-V221 WeakPolarHBondContact O-CG2 3.33Å; T217-V221 PolarHBondContact O-N 2.83Å
218N94.3Very high88.9Confident20 Ų2057.2 Ų57.211%0.10732%0.322CS..Hα-helixtrans-49-52.2171.3173.413.3000112.3S118 F130 D131 T216 Q220 T222 K224S118-N218 PolarHBondContact OG-ND2 3.04Å; F130-N218 HydrophobicContact CD1-CB 4.27Å; F130-N218 VanDerWaalsContact O-CB 3.22Å; F130-N218 WeakPolarHBondContact O-CB 3.5Å; F130-N218 PolarHBondContact O-ND2 2.98Å; D131-N218 WeakPolarHBondContact O-CB 3.45Å; D131-N218 PolarHBondContact O-N 3.3Å; D131-N218 VanDerWaalsContact O-N 3.08Å; T216-N218 VanDerWaalsContact C-N 3.31Å; T216-N218 PolarHBondContact O-N 3.02Å; N218-Q220 PolarHBondContact O-N 3.13Å; N218-T222 WeakPolarHBondContact O-CB 3.45Å; N218-T222 WeakPolarHBondContact O-CG2 3.1Å; N218-T222 PolarHBondContact O-N 3.02Å; N218-T222 PolarHBondContact O-OG1 3Å; N218-K224 PolarHBondContact ND2-NZ 3.31Å; N218-K224 PolarHBondContact OD1-NZ 3.36Å
219E92.7Very high88.1Confident3 Ų359.3 Ų59.31%0.01434%0.335CS..Hα-helixtrans-63.4-37.1178.4-74.9151.1-167.100113.8R116 R215 T216 T217 G223 K224 F225R116-E219 WeakPolarHBondContact CG-OE1 3.27Å; R116-E219 IonicContact CZ-OE1 2.92Å; R116-E219 IonicContact CZ-OE2 3.74Å; R116-E219 IonicContact NE-OE1 2.79Å; R116-E219 PolarHBondContact NE-OE1 2.91Å; R116-E219 IonicContact NE-OE2 3.8Å; R116-E219 IonicContact NH2-OE1 2.75Å; R116-E219 IonicContact NH2-OE2 3.57Å; R116-E219 PolarHBondContact NH2-OE2 3.49Å; R116-E219 VanDerWaalsContact NH2-OE2 3.16Å; R215-E219 WeakPolarHBondContact CA-OE2 3.5Å; T216-E219 PolarHBondContact N-OE2 3.13Å; T216-E219 PolarHBondContact O-N 3.25Å; T216-E219 VanDerWaalsContact O-N 3.17Å; T216-E219 WeakPolarHBondContact OG1-CB 3.16Å; T216-E219 WeakPolarHBondContact OG1-CG 3.5Å; T216-E219 PolarHBondContact OG1-N 3Å; T216-E219 PolarHBondContact OG1-OE1 2.98Å; T216-E219 PolarHBondContact OG1-OE2 3.38Å; T217-E219 PolarHBondContact O-N 3.25Å; E219-G223 PolarHBondContact O-N 3.03Å; E219-K224 HydrophobicContact CB-CD 4.45Å; E219-K224 HydrophobicContact CG-CD 3.89Å; E219-K224 PolarHBondContact O-N 3.13Å; E219-K224 VanDerWaalsContact O-N 3.16Å; E219-F225 HydrophobicContact CB-CD2 4.23Å; E219-F225 HydrophobicContact CB-CE2 4.01Å; E219-F225 HydrophobicContact CG-CD2 4.48Å; E219-F225 HydrophobicContact CG-CE2 3.78Å
220Q93.6Very high87.6Confident77 Ų7756 Ų5636%0.3631%0.314SS..Hα-helixtrans-74.1-46.9179.3-17762.819.800112.1L210 T216 T217 N218 G223L210-Q220 HydrophobicContact CD2-CB 3.69Å; L210-Q220 HydrophobicContact CD2-CG 4.03Å; T216-Q220 PolarHBondContact O-N 2.76Å; T217-Q220 PolarHBondContact O-N 3.29Å; N218-Q220 PolarHBondContact O-N 3.13Å; Q220-G223 PolarHBondContact O-N 3.08Å
221V91.9Very high87.2Confident111 Ų11156.1 Ų56.167%0.67332%0.316SS*.Hα-helixtrans-69.8-44-179.31740000111.5T217 G223T217-V221 HydrophobicContact CG2-CG2 4.04Å; T217-V221 WeakPolarHBondContact O-CB 3.23Å; T217-V221 WeakPolarHBondContact O-CG2 3.33Å; T217-V221 PolarHBondContact O-N 2.83Å; V221-G223 PolarHBondContact O-N 2.78Å
222T87.8Confident86.8Confident84 Ų8457.4 Ų57.452%0.51532%0.321SS..THydrogen-bonded Turntrans-77.8-1.8175.662.70000113.6N218 K224N218-T222 WeakPolarHBondContact O-CB 3.45Å; N218-T222 WeakPolarHBondContact O-CG2 3.1Å; N218-T222 PolarHBondContact O-N 3.02Å; N218-T222 PolarHBondContact O-OG1 3Å; T222-K224 VanDerWaalsContact C-N 3.3Å; T222-K224 PolarHBondContact O-N 2.83Å; T222-K224 WeakPolarHBondContact OG1-CE 3.49Å; T222-K224 WeakPolarHBondContact OG1-CG 3.33Å
223G85.3Confident86.5Confident17 Ų1758.4 Ų58.418%0.17532%0.324CS..THydrogen-bonded Turntrans68.718.4170.900000116.1E219 Q220 V221 F225 R226E219-G223 PolarHBondContact O-N 3.03Å; Q220-G223 PolarHBondContact O-N 3.08Å; V221-G223 PolarHBondContact O-N 2.78Å; G223-F225 PolarHBondContact O-N 2.89Å; G223-R226 WeakPolarHBondContact O-CB 3.22Å; G223-R226 WeakPolarHBondContact O-CG 3.35Å; G223-R226 PolarHBondContact O-N 3.11Å
224K81.6Confident86.2Confident100 Ų10055 Ų5544%0.43532%0.317SS..THydrogen-bonded Turntrans-52.1-25.3-173.1-71.8170.8-169149.30114.7N218 E219 T222N218-K224 PolarHBondContact ND2-NZ 3.31Å; N218-K224 PolarHBondContact OD1-NZ 3.36Å; E219-K224 HydrophobicContact CB-CD 4.45Å; E219-K224 HydrophobicContact CG-CD 3.89Å; E219-K224 PolarHBondContact O-N 3.13Å; E219-K224 VanDerWaalsContact O-N 3.16Å; T222-K224 VanDerWaalsContact C-N 3.3Å; T222-K224 PolarHBondContact O-N 2.83Å; T222-K224 WeakPolarHBondContact OG1-CE 3.49Å; T222-K224 WeakPolarHBondContact OG1-CG 3.33Å
225F80Confident86.1Confident27 Ų2756.1 Ų56.112%0.11833%0.329CS..THydrogen-bonded Turntrans-126.141.9-179.5-49.8-62.1000112.2R215 E219 G223 N230 P231 F232R215-F225 HydrophobicContact CG-CD2 4.48Å; R215-F225 VanDerWaalsContact NH2-CB 3.3Å; R215-F225 PolarHBondContact NH2-O 3.37Å; E219-F225 HydrophobicContact CB-CD2 4.23Å; E219-F225 HydrophobicContact CB-CE2 4.01Å; E219-F225 HydrophobicContact CG-CD2 4.48Å; E219-F225 HydrophobicContact CG-CE2 3.78Å; G223-F225 PolarHBondContact O-N 2.89Å; F225-N230 HydrophobicContact CD2-CB 4.36Å; F225-N230 HydrophobicContact CG-CB 4.33Å; F225-P231 HydrophobicContact CE1-CG 4.45Å; F225-F232 HydrophobicContact CE2-CD2 4.41Å; F225-F232 AromaticContact CZ-CD2 3.9Å; F225-F232 HydrophobicContact CZ-CD2 3.9Å; F225-F232 AromaticContact CZ-CE2 3.92Å; F225-F232 HydrophobicContact CZ-CE2 3.92Å
226R72.4Confident85.9Confident220 Ų22057.5 Ų57.583%0.8334%0.344SS*.SBendtrans-80-26.2175.2-75.7178.178.3142.22113.9G223G223-R226 WeakPolarHBondContact O-CB 3.22Å; G223-R226 WeakPolarHBondContact O-CG 3.35Å; G223-R226 PolarHBondContact O-N 3.11Å
227G67.1Low85.8Confident89 Ų8962.2 Ų62.292%0.91838%0.376SS*.SBendtrans-122.924.3-179.600000114.5
228G74.5Confident85.6Confident47 Ų4766 Ų6649%0.48540%0.395SS..SBendtrans-165.5164.5-176.100000114.2
229V79.6Confident85.6Confident109 Ų10965.1 Ų65.166%0.66139%0.391SS*.  trans-64.6140.9177.5-177.10000109.9I99 P231I99-V229 HydrophobicContact CD1-CB 4.12Å; I99-V229 WeakPolarHBondContact CD1-O 3.17Å; V229-P231 VanDerWaalsContact O-CD 3.27Å; V229-P231 WeakPolarHBondContact O-CD 3.34Å
230N86.1Confident85.6Confident9 Ų967.3 Ų67.35%0.04840%0.404CS..  trans-81.5109173174.514.2000109.5R213 G214 R215 F225 F232 T233R213-N230 PolarHBondContact O-ND2 3.03Å; R213-N230 VanDerWaalsContact O-ND2 3.13Å; G214-N230 PolarHBondContact O-ND2 3.09Å; R215-N230 WeakPolarHBondContact CG-ND2 3.49Å; F225-N230 HydrophobicContact CD2-CB 4.36Å; F225-N230 HydrophobicContact CG-CB 4.33Å; N230-F232 PolarHBondContact O-N 3.36Å; N230-F232 VanDerWaalsContact O-N 3.13Å; N230-F232 WeakPolarHBondContact OD1-CB 3.31Å; N230-F232 WeakPolarHBondContact OD1-CD2 3.47Å; N230-F232 PolarHBondContact OD1-N 2.87Å; N230-T233 WeakPolarHBondContact O-CG2 3.3Å; N230-T233 PolarHBondContact O-N 3.32Å
231P86Confident85.7Confident7 Ų766.6 Ų66.65%0.04541%0.407CS..THydrogen-bonded Turntrans-64.5-19.4-179.625.9-32.6000112.9I96 K97 I99 F225 V229I96-P231 HydrophobicContact CG2-CB 4.29Å; K97-P231 WeakPolarHBondContact CD-O 3.28Å; K97-P231 VanDerWaalsContact CE-O 3.23Å; K97-P231 WeakPolarHBondContact CE-O 3.38Å; K97-P231 PolarHBondContact NZ-O 3.11Å; I99-P231 HydrophobicContact CB-CB 4.43Å; I99-P231 HydrophobicContact CB-CG 4.45Å; I99-P231 HydrophobicContact CD1-CB 4.11Å; I99-P231 HydrophobicContact CD1-CG 4.37Å; F225-P231 HydrophobicContact CE1-CG 4.45Å; V229-P231 VanDerWaalsContact O-CD 3.27Å; V229-P231 WeakPolarHBondContact O-CD 3.34Å
232F86.9Confident85.7Confident32 Ų3264.8 Ų64.814%0.1439%0.388CS..THydrogen-bonded Turntrans-86-12.2-177-54.3-68.3000114I96 P115 R116 F225 N230 R242I96-F232 HydrophobicContact CD1-CE1 3.98Å; I96-F232 HydrophobicContact CD1-CZ 3.71Å; I96-F232 HydrophobicContact CG2-CE1 4.17Å; P115-F232 HydrophobicContact CB-CZ 4.06Å; R116-F232 HydrophobicContact CG-CD1 4.5Å; R116-F232 HydrophobicContact CG-CD2 4.09Å; R116-F232 HydrophobicContact CG-CE1 4.11Å; R116-F232 HydrophobicContact CG-CE2 3.66Å; R116-F232 HydrophobicContact CG-CG 4.49Å; R116-F232 HydrophobicContact CG-CZ 3.67Å; F225-F232 HydrophobicContact CE2-CD2 4.41Å; F225-F232 AromaticContact CZ-CD2 3.9Å; F225-F232 HydrophobicContact CZ-CD2 3.9Å; F225-F232 AromaticContact CZ-CE2 3.92Å; F225-F232 HydrophobicContact CZ-CE2 3.92Å; N230-F232 PolarHBondContact O-N 3.36Å; N230-F232 VanDerWaalsContact O-N 3.13Å; N230-F232 WeakPolarHBondContact OD1-CB 3.31Å; N230-F232 WeakPolarHBondContact OD1-CD2 3.47Å; N230-F232 PolarHBondContact OD1-N 2.87Å; F232-R242 PolarHBondContact O-NH1 3.48Å
233T88.8Confident85.9Confident48 Ų4862.1 Ų62.129%0.29437%0.372SS..  trans-72.2137.7173.4-161.10000110.9N230 G235 N239N230-T233 WeakPolarHBondContact O-CG2 3.3Å; N230-T233 PolarHBondContact O-N 3.32Å; T233-G235 PolarHBondContact OG1-N 3.4Å; T233-N239 PolarHBondContact OG1-ND2 2.93Å
234N86.3Confident86.2Confident76 Ų7664.5 Ų64.541%0.40638%0.381SS..  trans-118.416169.6-78.638000111.3K97 N238 N239 R242K97-N234 PolarHBondContact NZ-OD1 3.44Å; N234-N238 HydrophobicContact CB-CB 3.93Å; N234-N238 WeakPolarHBondContact O-CB 3.48Å; N234-N238 PolarHBondContact O-ND2 2.97Å; N234-N239 PolarHBondContact N-OD1 3.27Å; N234-R242 PolarHBondContact ND2-NH2 2.82Å; N234-R242 PolarHBondContact OD1-NH2 3.17Å
235G89.4Confident86.7Confident35 Ų3564.5 Ų64.536%0.36139%0.392SS..  trans93.7154.7-172.800000113T233 C237 N238 N239T233-G235 PolarHBondContact OG1-N 3.4Å; G235-C237 PolarHBondContact O-N 3.21Å; G235-N238 PolarHBondContact O-N 3.43Å; G235-N239 PolarHBondContact O-N 3.04Å; G235-N239 PolarHBondContact O-ND2 3.06Å
236C90.3Very high87Confident71 Ų7164.4 Ų64.448%0.4840%0.395SS..Hα-helixtrans-51.8-60.2-166.6-175.10000113.7N238 N239 V240C236-N238 VanDerWaalsContact C-N 3.28Å; C236-N238 PolarHBondContact O-N 2.92Å; C236-N239 PolarHBondContact O-N 3.37Å; C236-N239 VanDerWaalsContact O-N 3.11Å; C236-V240 WeakPolarHBondContact O-CG2 3.31Å; C236-V240 PolarHBondContact O-N 3.08Å
237C91.8Very high87.7Confident102 Ų10258.5 Ų58.569%0.68939%0.387SS*.Hα-helixtrans-61.7-35.6-177.7-51.70000112.5G235 V240 S241G235-C237 PolarHBondContact O-N 3.21Å; C237-V240 PolarHBondContact O-N 3.29Å; C237-S241 VanDerWaalsContact O-CB 3.24Å; C237-S241 WeakPolarHBondContact O-CB 3.34Å; C237-S241 PolarHBondContact O-N 3.44Å
238N92.3Very high88.6Confident101 Ų10157.6 Ų57.654%0.5437%0.365SS..Hα-helixtrans-70.7-35.1177-67.7-26.8000112.1N234 G235 C236 R242N234-N238 HydrophobicContact CB-CB 3.93Å; N234-N238 WeakPolarHBondContact O-CB 3.48Å; N234-N238 PolarHBondContact O-ND2 2.97Å; G235-N238 PolarHBondContact O-N 3.43Å; C236-N238 VanDerWaalsContact C-N 3.28Å; C236-N238 PolarHBondContact O-N 2.92Å; N238-R242 VanDerWaalsContact O-CB 3.3Å; N238-R242 WeakPolarHBondContact O-CB 3.48Å; N238-R242 PolarHBondContact O-N 3.17Å
239N93.8Very high89.2Confident3 Ų355.9 Ų55.92%0.01635%0.346CS..Hα-helixtrans-68.7-42.9174.6-61.5-29.4000111.1V211 A212 G214 T233 N234 G235 C236 R242 V243V211-N239 WeakPolarHBondContact O-CB 3.34Å; A212-N239 PolarHBondContact O-ND2 3.23Å; G214-N239 PolarHBondContact N-ND2 2.73Å; T233-N239 PolarHBondContact OG1-ND2 2.93Å; N234-N239 PolarHBondContact N-OD1 3.27Å; G235-N239 PolarHBondContact O-N 3.04Å; G235-N239 PolarHBondContact O-ND2 3.06Å; C236-N239 PolarHBondContact O-N 3.37Å; C236-N239 VanDerWaalsContact O-N 3.11Å; N239-R242 PolarHBondContact O-N 3.4Å; N239-V243 PolarHBondContact O-N 3.1Å; N239-V243 VanDerWaalsContact O-N 3.07Å
240V93.4Very high89.5Confident49 Ų4954.7 Ų54.730%0.29734%0.341SS..Hα-helixtrans-61-48.4173.6174.60000110.8V211 C236 C237 R242 V243 L244V211-V240 HydrophobicContact CG1-CB 4.36Å; V211-V240 HydrophobicContact CG1-CG2 3.87Å; C236-V240 WeakPolarHBondContact O-CG2 3.31Å; C236-V240 PolarHBondContact O-N 3.08Å; C237-V240 PolarHBondContact O-N 3.29Å; V240-R242 VanDerWaalsContact C-N 3.34Å; V240-R242 PolarHBondContact O-N 2.96Å; V240-V243 PolarHBondContact O-N 3.43Å; V240-V243 VanDerWaalsContact O-N 3.12Å; V240-L244 HydrophobicContact CG1-CD1 3.79Å; V240-L244 HydrophobicContact CG1-CG 4.41Å; V240-L244 PolarHBondContact O-N 3.09Å
241S93.6Very high89.7Confident61 Ų6161.4 Ų61.443%0.42737%0.366SS..Hα-helixtrans-60.8-39.9176.2-175.50000112.1C237 V243 C245C237-S241 VanDerWaalsContact O-CB 3.24Å; C237-S241 WeakPolarHBondContact O-CB 3.34Å; C237-S241 PolarHBondContact O-N 3.44Å; S241-V243 VanDerWaalsContact C-N 3.33Å; S241-V243 PolarHBondContact O-N 2.99Å; S241-C245 WeakPolarHBondContact O-CA 3.21Å; S241-C245 VanDerWaalsContact O-CB 3.25Å; S241-C245 WeakPolarHBondContact O-CB 3.48Å; S241-C245 PolarHBondContact O-N 3.39Å
242R92.1Very high89.7Confident73 Ų7364.9 Ų64.928%0.27538%0.378SS..Hα-helixtrans-60-41173-177.3-172-74.9144.8-11.6111.9F232 N234 N238 N239 V240 S246F232-R242 PolarHBondContact O-NH1 3.48Å; N234-R242 PolarHBondContact ND2-NH2 2.82Å; N234-R242 PolarHBondContact OD1-NH2 3.17Å; N238-R242 VanDerWaalsContact O-CB 3.3Å; N238-R242 WeakPolarHBondContact O-CB 3.48Å; N238-R242 PolarHBondContact O-N 3.17Å; N239-R242 PolarHBondContact O-N 3.4Å; V240-R242 VanDerWaalsContact C-N 3.34Å; V240-R242 PolarHBondContact O-N 2.96Å; R242-S246 WeakPolarHBondContact O-CB 3.43Å; R242-S246 PolarHBondContact O-N 2.85Å; R242-S246 PolarHBondContact O-OG 3.48Å
243V92.6Very high89.4Confident29 Ų2966.9 Ų66.918%0.17639%0.39CS..Hα-helixtrans-72.7-44.3-179.7169.60000112.2Y146 R147 F150 V211 N239 V240 S241Y146-V243 HydrophobicContact CD1-CG1 3.91Å; Y146-V243 HydrophobicContact CE1-CG1 4.02Å; Y146-V243 HydrophobicContact CE1-CG2 4.41Å; R147-V243 VanDerWaalsContact CB-O 3.24Å; R147-V243 WeakPolarHBondContact CB-O 3.28Å; F150-V243 HydrophobicContact CD1-CG1 3.87Å; F150-V243 HydrophobicContact CE1-CG1 4.49Å; F150-V243 HydrophobicContact CG-CG1 4.4Å; V211-V243 HydrophobicContact CG1-CB 4.13Å; V211-V243 HydrophobicContact CG1-CG2 3.95Å; V211-V243 HydrophobicContact CG2-CG1 4.36Å; V211-V243 HydrophobicContact CG2-CG2 4.21Å; N239-V243 PolarHBondContact O-N 3.1Å; N239-V243 VanDerWaalsContact O-N 3.07Å; V240-V243 PolarHBondContact O-N 3.43Å; V240-V243 VanDerWaalsContact O-N 3.12Å; S241-V243 VanDerWaalsContact C-N 3.33Å; S241-V243 PolarHBondContact O-N 2.99Å
244L92.7Very high88.2Confident67 Ų6767.9 Ų67.935%0.35141%0.41SS..Hα-helixtrans-85-40.3-174.3-63.1179.5000113.4F150 L151 V240F150-L244 HydrophobicContact CD1-CD2 3.87Å; F150-L244 HydrophobicContact CE1-CD2 4.05Å; L151-L244 HydrophobicContact CD2-CD2 3.91Å; L151-L244 HydrophobicContact CG-CD2 4.22Å; V240-L244 HydrophobicContact CG1-CD1 3.79Å; V240-L244 HydrophobicContact CG1-CG 4.41Å; V240-L244 PolarHBondContact O-N 3.09Å
245C91Very high86.6Confident99 Ų9975.3 Ų75.367%0.66943%0.432SS*.Hα-helixtrans-109.7-3.2-166.5-53.70000114.3S241S241-C245 WeakPolarHBondContact O-CA 3.21Å; S241-C245 VanDerWaalsContact O-CB 3.25Å; S241-C245 WeakPolarHBondContact O-CB 3.48Å; S241-C245 PolarHBondContact O-N 3.39Å
246S87Confident84.8Confident26 Ų2679.1 Ų79.118%0.18245%0.451CS..SBendtrans-68.8145.9176.866.90000112.5R147 R242R147-S246 PolarHBondContact NH1-O 2.87Å; R242-S246 WeakPolarHBondContact O-CB 3.43Å; R242-S246 PolarHBondContact O-N 2.85Å; R242-S246 PolarHBondContact O-OG 3.48Å
247S87.3Confident83Confident96 Ų9684.6 Ų84.667%0.67147%0.467SS*.PPolyproline II helixtrans-54.6142.9167.8-173.80000110A249S247-A249 PolarHBondContact O-N 2.95Å
248P85.5Confident80.9Confident69 Ų6989 Ų8945%0.44847%0.474SS..PPolyproline II helixtrans-52.1131.5170.1-24.534000110.8
249A87.3Confident79.1Confident12 Ų1291.6 Ų91.610%0.09948%0.483CS..PPolyproline II helixtrans-58.2157.7170.100000110.7R143 R144 S247R143-A249 HydrophobicContact CG-CB 3.8Å; R144-A249 HydrophobicContact CG-CB 4.02Å; R144-A249 PolarHBondContact NH1-O 2.88Å; S247-A249 PolarHBondContact O-N 2.95Å
250P86.3Confident77.2Confident84 Ų84100.1 Ų100.155%0.54552%0.52SS..PPolyproline II helixtrans-60.3164175.726.9-35.7000111.9R144 Y252R144-P250 WeakPolarHBondContact CD-O 3.34Å; R144-P250 PolarHBondContact NH1-O 3.46Å; P250-Y252 HydrophobicContact CG-CE1 4.06Å
251R89.1Confident75.6Confident150 Ų150103 Ų10357%0.56654%0.538SS*.PPolyproline II helixtrans-104123.5167.1-173.5-169.9-79.8172.9-5.5106.9D69 L253D69-R251 WeakPolarHBondContact OD2-CG 3.48Å; R251-L253 WeakPolarHBondContact CD-O 3.05Å; R251-L253 WeakPolarHBondContact CG-O 3.38Å
252Y86.6Confident74.2Confident80 Ų80106.4 Ų106.431%0.31455%0.55SS.*  trans-80.8-36.7-179.2-51.4-77.9000112F73 E128 P250F73-Y252 HydrophobicContact CD1-CD1 4.38Å; F73-Y252 HydrophobicContact CD1-CD2 4.11Å; F73-Y252 HydrophobicContact CD1-CE1 4.46Å; F73-Y252 HydrophobicContact CD1-CE2 4.21Å; F73-Y252 HydrophobicContact CD1-CG 4.21Å; F73-Y252 HydrophobicContact CE1-CD1 4.37Å; F73-Y252 HydrophobicContact CE1-CD2 4.27Å; F73-Y252 HydrophobicContact CE1-CE1 4.01Å; F73-Y252 AromaticContact CE1-CE2 3.92Å; F73-Y252 HydrophobicContact CE1-CE2 3.92Å; F73-Y252 AromaticContact CE1-CZ 3.77Å; F73-Y252 HydrophobicContact CZ-CE2 4.36Å; E128-Y252 VanDerWaalsContact CD-OH 3.23Å; E128-Y252 PolarHBondContact OE1-OH 2.94Å; E128-Y252 VanDerWaalsContact OE1-OH 3.04Å; E128-Y252 PolarHBondContact OE2-OH 2.62Å; P250-Y252 HydrophobicContact CG-CE1 4.06Å
253L80.1Confident72.9Confident73 Ų73108.7 Ų108.738%0.38257%0.572SS.*SBendtrans-80140174.3-55.1-177.7000111.9I72 P74 R251I72-L253 HydrophobicContact CB-CD1 4.01Å; I72-L253 HydrophobicContact CG2-CD1 3.78Å; I72-L253 HydrophobicContact CG2-CG 4.4Å; P74-L253 HydrophobicContact CB-CD2 4.16Å; R251-L253 WeakPolarHBondContact CD-O 3.05Å; R251-L253 WeakPolarHBondContact CG-O 3.38Å
254G62.7Low71.6Confident70 Ų70114.2 Ų114.272%0.72260%0.599SS**  trans80.731.1162.300000116.9
255R53.2Low70.1Confident231 Ų231121 Ų12187%0.87262%0.62SS**  trans-96.3110.6142.6-95.6-170.8173.3-179.4-0.6107.9K257R255-K257 PolarHBondContact O-N 2.95Å
256P52.2Low68.8Low116 Ų116120.4 Ų120.475%0.75362%0.615SS**  trans-56.6126.3157.426.2-32.3000106.7K258P256-K258 PolarHBondContact O-N 2.71Å
257K51.6Low67.5Low185 Ų185124.5 Ų124.580%0.80464%0.64SS**  trans-65.791.8173.2-167.1-178.1-175.8-171.40105.4R255 E259R255-K257 PolarHBondContact O-N 2.95Å; K257-E259 PolarHBondContact O-N 3.02Å
258K49.1Very low66.3Low195 Ų195128 Ų12885%0.84864%0.644SS**  trans-57.4101.4161.8-97.1-158.4174.8-168.10104.4P256 K260P256-K258 PolarHBondContact O-N 2.71Å; K258-K260 PolarHBondContact O-N 2.9Å
259E54.7Low64.7Low156 Ų156132 Ų13273%0.72966%0.66SS**  trans-58.4106.3177.6-175.1158.5-118.600106.2K257 T261K257-E259 PolarHBondContact O-N 3.02Å; E259-T261 PolarHBondContact O-N 2.79Å
260K52.7Low63.1Low181 Ų181142.3 Ų142.379%0.78770%0.697SS**  trans-72.191.8166.8-75.2-169.4174-169.70104.3K258 I262K258-K260 PolarHBondContact O-N 2.9Å; K260-I262 HydrophobicContact CB-CG1 4.29Å; K260-I262 PolarHBondContact O-N 3.1Å
261T60.3Low61.3Low111 Ų111143.9 Ų143.968%0.68171%0.707SS**  trans-60.384.3162.2-42.10000106.3E259 V263E259-T261 PolarHBondContact O-N 2.79Å; T261-V263 HydrophobicContact CG2-CG2 4.23Å; T261-V263 PolarHBondContact O-N 3.43Å
262I63.4Low59.5Low132 Ų132145.6 Ų145.668%0.67772%0.722SS**  trans-69.495.4170.8-61.7175.5000103.7K260 I264K260-I262 HydrophobicContact CB-CG1 4.29Å; K260-I262 PolarHBondContact O-N 3.1Å; I262-I264 HydrophobicContact CG2-CG1 3.93Å; I262-I264 PolarHBondContact O-N 3.22Å
263V64.8Low57.9Low120 Ų120146.2 Ų146.273%0.72773%0.733SS**  trans-68.188.2172.9-1790000106.4T261 R265T261-V263 HydrophobicContact CG2-CG2 4.23Å; T261-V263 PolarHBondContact O-N 3.43Å; V263-R265 PolarHBondContact O-N 2.86Å
264I65Low56.4Low145 Ų145146.7 Ų146.774%0.74474%0.743SS**  trans-67.986.3169.6-57.4176.4000105.7I262 P266I262-I264 HydrophobicContact CG2-CG1 3.93Å; I262-I264 PolarHBondContact O-N 3.22Å; I264-P266 VanDerWaalsContact O-CD 3.27Å; I264-P266 WeakPolarHBondContact O-CD 3.36Å
265R61.4Low56Low210 Ų210149.6 Ų149.679%0.79274%0.742SS**  trans-67.2113.2171.8-160.9175.1-164.7166.54.9106.1V263V263-R265 PolarHBondContact O-N 2.86Å
266P64Low56.1Low87 Ų87141 Ų14157%0.56573%0.726SS**  trans-61.1139.9-179.825.8-33.5000108.7I264 F268I264-P266 VanDerWaalsContact O-CD 3.27Å; I264-P266 WeakPolarHBondContact O-CD 3.36Å; P266-F268 PolarHBondContact O-N 2.72Å
267P60.8Low55.9Low111 Ų111142 Ų14272%0.72172%0.72SS**SBendtrans-65.7-9.4-170.221.9-31.7000114.7
268F60.8Low55.9Low171 Ų171137.2 Ų137.275%0.7570%0.702SS**  trans-139.1114.4-179.5-43.9-72.9000110.9P266P266-F268 PolarHBondContact O-N 2.72Å
269L52Low55.8Low151 Ų151132.1 Ų132.179%0.79169%0.688SS**SBendtrans-177.795.4143.9-103.4167.6000111.7
270R55.3Low55.6Low230 Ų230130.2 Ų130.287%0.86869%0.686SS**  trans57.8147.2166.6-66.1-174.2179.1131.43.3119.7
271P48.3Very low55.2Low116 Ų116130.7 Ų130.775%0.75369%0.688SS**PPolyproline II helixtrans-66.4158.7162.3-15.930.7000112.2V273P271-V273 PolarHBondContact O-N 3.44Å
272E49.8Very low54.6Low187 Ų187131.1 Ų131.187%0.87469%0.686SS**PPolyproline II helixtrans-67.2116.4161.8-69.8176.4142.200109.2
273V54.6Low53.7Low93 Ų93133 Ų13356%0.56469%0.693SS**PPolyproline II helixtrans-83117.1163.8-1790000106.2P271 Q277P271-V273 PolarHBondContact O-N 3.44Å; V273-Q277 HydrophobicContact CG1-CB 4.39Å
274S46.8Very low52.9Low83 Ų83134.5 Ų134.558%0.5870%0.697SS**PPolyproline II helixtrans-74.1144.1179.160.30000111.2G276 Q277S274-G276 PolarHBondContact O-N 3.41Å; S274-Q277 PolarHBondContact O-N 2.73Å
275D55.1Low51.9Low130 Ų130135 Ų13570%0.69570%0.702SS**THydrogen-bonded Turntrans-58.4-21.9-174.4-63.8-60.7000113.9Q277 I278D275-Q277 PolarHBondContact O-N 3.01Å; D275-I278 PolarHBondContact O-N 2.96Å
276G54.6Low51.1Low52 Ų52128.7 Ų128.754%0.53670%0.702SS.*Hα-helixtrans-64.8-15.1173.900000115.1S274 T279S274-G276 PolarHBondContact O-N 3.41Å; G276-T279 PolarHBondContact O-OG1 3.25Å
277Q49.3Very low50Low136 Ų136132.5 Ų132.564%0.63672%0.716SS**Hα-helixtrans-95.3-13.1177.4-152.2171.636.900113.4V273 S274 D275V273-Q277 HydrophobicContact CG1-CB 4.39Å; S274-Q277 PolarHBondContact O-N 2.73Å; D275-Q277 PolarHBondContact O-N 3.01Å
278I50.2Low48.9Very low84 Ų84136.5 Ų136.543%0.43173%0.725SS.*Hα-helixtrans-83.4-40.6178.6-63.2174.4000110.4D275 V280 K281 I282D275-I278 PolarHBondContact O-N 2.96Å; I278-V280 PolarHBondContact O-N 3.47Å; I278-K281 PolarHBondContact O-N 3.24Å; I278-I282 HydrophobicContact CG2-CD1 3.77Å; I278-I282 WeakPolarHBondContact O-CG1 3.4Å
279T47.2Very low47.7Very low89 Ų89132.1 Ų132.155%0.54673%0.728SS.*Hα-helixtrans-64.7-37.5-177.2490000113.7G276 K281 I282G276-T279 PolarHBondContact O-OG1 3.25Å; T279-K281 VanDerWaalsContact C-N 3.27Å; T279-K281 PolarHBondContact O-N 2.85Å; T279-I282 PolarHBondContact O-N 3.35Å
280V50.5Low46.9Very low115 Ų115133.4 Ų133.470%0.69773%0.73SS**THydrogen-bonded Turntrans-66.8-27.3-179.4-1780000112.5I278I278-V280 PolarHBondContact O-N 3.47Å
281K44.9Very low46Very low191 Ų191128 Ų12883%0.8372%0.717SS**THydrogen-bonded Turntrans-92.81.5-178.5-99.6-172.3173.7-174.40115.3I278 T279I278-K281 PolarHBondContact O-N 3.24Å; T279-K281 VanDerWaalsContact C-N 3.27Å; T279-K281 PolarHBondContact O-N 2.85Å
282I47Very low45.4Very low121 Ų121132.3 Ų132.362%0.62172%0.719SS**THydrogen-bonded Turntrans-101.8-13.9-179.2-69.1172.3000112.1I278 T279 D284I278-I282 HydrophobicContact CG2-CD1 3.77Å; I278-I282 WeakPolarHBondContact O-CG1 3.4Å; T279-I282 PolarHBondContact O-N 3.35Å; I282-D284 PolarHBondContact O-N 2.97Å
283M44.8Very low44.8Very low171 Ų171132.9 Ų132.984%0.84271%0.713SS**THydrogen-bonded Turntrans-83.1-6.2-175.3-66.2-172.865.800115.7
284D48.9Very low43.9Very low151 Ų151132.9 Ų132.981%0.80771%0.713SS**THydrogen-bonded Turntrans-100.6-3.8-169.4-150.427.6000114.4I282I282-D284 PolarHBondContact O-N 2.97Å
285N44.1Very low43.4Very low157 Ų157138 Ų13884%0.8473%0.725SS**SBendtrans-106.484.4174.1-83.6-12.9000110.4I287N285-I287 PolarHBondContact O-N 3.42Å
286G44.3Very low42.6Very low77 Ų77137.3 Ų137.379%0.79473%0.731SS**  trans-74.6113-178.100000114.2
287I41.7Very low41.7Very low166 Ų166145.1 Ų145.185%0.85175%0.75SS**  trans-137.7138.1154.3-84.1134.7000107.1N285N285-I287 PolarHBondContact O-N 3.42Å
288Q37.3Very low40.8Very low196 Ų196142.1 Ų142.192%0.91676%0.755SS**  trans-81.9144.2-179.1-66.7175.1-21.900111.7
289G36Very low39.9Very low79 Ų79143.9 Ų143.981%0.81478%0.775SS**  trans-169114.3177.300000113.9
290E34.7Very low39.3Very low177 Ų177147.9 Ų147.983%0.82779%0.792SS**  trans-70.7168.8172.3-81.7-149.9125.400113.5
291L36.6Very low38.5Very low117 Ų117150.2 Ų150.261%0.61380%0.795SS**  cis-175.1119.2-21.9171.582.5000108.4
292R35.1Very low38.1Very low207 Ų207147.6 Ų147.678%0.78179%0.789SS**  trans62.1177.8164.8-65.8173.6167.6-171.6-3.1115
293R37.7Very low37.3Very low198 Ų198146.8 Ų146.875%0.74779%0.79SS**  cis-153.2144.6-0.7-144.8-173.6177.8165.4-2.7112.4
294T36Very low36.9Very low93 Ų93147 Ų14757%0.57179%0.789SS**  trans48.1130.1145.445.10000122.6
295K34.9Very low36.4Very low191 Ų191143.9 Ų143.983%0.8378%0.779SS**  60.9148.896.4-51.6-178.4-177-178.10115.4
296S38.1Very low35.9Very low116 Ų116144.9 Ų144.981%0.81178%0.778SS**  cis-155.1178.523.5-37.50000113.7
297K36.9Very low35.5Very low216 Ų216146.4 Ų146.494%0.93978%0.777SS**  trans-77.6158.4172.2-57.9176.2176.9-178.40114.2
298G29.2Very low35.2Very low72 Ų72143.2 Ų143.274%0.74278%0.775SS**  trans176.7128.1155.600000108.4
299S32.3Very low35.1Very low122 Ų122141.8 Ų141.885%0.85377%0.774SS**  cis85.19519.8-160.60000115.8
300L33.4Very low35.2Very low173 Ų173142.8 Ų142.891%0.90677%0.774SS**  trans-167.2170.4143.8-109.4165.1000110.7
301E34.3Very low35.5Very low164 Ų164143.2 Ų143.277%0.76678%0.776SS**  trans-125.2-177.6-167.2-57.9-176.3108.800113.5
302I36.8Very low36.1Very low135 Ų135143 Ų14369%0.69278%0.782SS**  104.7139.5129-106.8165.2000120.5
303T31.1Very low37.3Very low105 Ų105138.6 Ų138.664%0.64478%0.78SS**  trans64.3117.5166.644.10000119
304E36.1Very low38.1Very low175 Ų175134.8 Ų134.882%0.81878%0.781SS**  79.7145.188.1-74.9-168.9114.300115
305S38.5Very low38.8Very low85 Ų85136 Ų13659%0.59479%0.79SS**  cis-166.9173.9-15.859.60000111.8
306Q33.6Very low39.4Very low179 Ų179132.8 Ų132.884%0.83679%0.789SS**  trans83.3155.3158.6-63.9-177.740.900123
307S35.1Very low39.4Very low109 Ų109136.7 Ų136.776%0.76279%0.792SS**  trans58.993.6161.458.50000122.7
308A36.3Very low39.4Very low98 Ų98132.6 Ų132.681%0.8179%0.787SS**  51.1149.7111.800000124.3
309D34.9Very low39.6Very low167 Ų167136.2 Ų136.289%0.89379%0.789SS**  trans57.686.2162.8-75.5-0.7000120.7
310A38.7Very low40.2Very low100 Ų100138.9 Ų138.983%0.82679%0.793SS**  trans-151.4142.8138.300000110.5
311E39.7Very low40.4Very low186 Ų186134.9 Ų134.987%0.86978%0.78SS**PPolyproline II helixtrans-77.5133.6177.2-170.8175.1-160.900110.8
312P48.9Very low40.5Very low111 Ų111138.2 Ų138.272%0.72179%0.785SS**PPolyproline II helixtrans-76.6133.4-176.529.7-34.1000112.1
313P60.1Low40.3Very low115 Ų115143 Ų14375%0.74780%0.796SS**PPolyproline II helixtrans-67.5151.4176.128.6-34.9000111.9
314P55Low40.4Very low119 Ų119145.1 Ų145.177%0.77381%0.809SS**PPolyproline II helixtrans-67.5148.5-175.527.5-35.5000112.7
315P51.3Low40.2Very low117 Ų117139.8 Ų139.876%0.7680%0.801SS**PPolyproline II helixtrans-67.7145.1-178.327.8-35000112.4
316P47.8Very low39.9Very low124 Ų124144.1 Ų144.181%0.80582%0.817SS**PPolyproline II helixtrans-68.7147.5178.329-34.9000112
317K38.1Very low39.7Very low199 Ų199147 Ų14787%0.86582%0.82SS**PPolyproline II helixtrans-72141.3176.8-61.6175.9-176.9175.60110.6D319K317-D319 PolarHBondContact O-N 3.03Å
318P37.1Very low39.6Very low130 Ų130147.6 Ų147.684%0.84482%0.82SS**PPolyproline II helixtrans-74.4118.9172.130-32.5000110.2
319D33.1Very low39.3Very low148 Ų148151.7 Ų151.779%0.79182%0.822SS**PPolyproline II helixtrans-96.5132.8180-147.5-29000111.4K317 S321K317-D319 PolarHBondContact O-N 3.03Å; D319-S321 PolarHBondContact O-N 2.81Å
320L45Very low39.1Very low177 Ų177151 Ų15193%0.92782%0.817SS**  trans-98.964.1-161.5-167.771.6000112.1
321S36.8Very low38.5Very low90 Ų90149.2 Ų149.263%0.62981%0.808SS**  trans-13336.4-165.855.20000116.1D319D319-S321 PolarHBondContact O-N 2.81Å
322R36.7Very low38Very low233 Ų233148.7 Ų148.788%0.87981%0.811SS**  trans-139.783.3165.3-69.3-168.9-171.5171.24.8113.8
323Y33.2Very low37.1Very low235 Ų235147.5 Ų147.592%0.92281%0.81SS**  -17692.1127.3-109.1-71.8000109.8
324T32.1Very low35.7Very low151 Ų151147.9 Ų147.993%0.92681%0.81SS**  trans-124.3100.5174.6-38.80000108.1
325G31.9Very low34.3Very low63 Ų63148.2 Ų148.265%0.64981%0.806SS**  trans-154.4131.3-177.500000111.1
326L33.6Very low33.4Very low176 Ų176151.2 Ų151.292%0.92181%0.809SS**  trans55.681.7-180-83.964.8000115.5
327R29Very low32.4Very low238 Ų238152.4 Ų152.490%0.89881%0.809SS**  trans-12586.1149.4-173.3-178.6-174.4160.93.3109.1
328T32.1Very low32Very low123 Ų123148.2 Ų148.276%0.75581%0.805SS**  trans-131.184.3-179.8-45.30000110.7
329H31Very low31.5Very low184 Ų184146.9 Ų146.985%0.85280%0.798SS**  trans-167.987.3146.3-105.7-64.2000110
330L29.2Very low31.3Very low153 Ų153147.1 Ų147.180%0.80180%0.799SS**  trans-81.2155.4139.6-81.858.5000106.2
331G26.8Very low30.7Very low62 Ų62146.6 Ų146.664%0.63980%0.796SS**  cis120.7132.7-0.700000111.9
332L29.4Very low30.3Very low175 Ų175145.2 Ų145.292%0.91680%0.796SS**  trans-176.3164.2157-12875.3000111.8
333A29.6Very low30Very low85 Ų85142.7 Ų142.770%0.70279%0.792SS**  trans70.3143.4162.700000119.1
334T29.9Very low29.8Very low123 Ų123137.7 Ų137.776%0.75578%0.781SS**  cis-164.3153.3-14.719.20000111.4
335N27.7Very low29.7Very low127 Ų127135.6 Ų135.668%0.67977%0.773SS**  trans64.1116.2146.3-62.522.5000124.1
336E30.9Very low30.6Very low179 Ų179138.1 Ų138.184%0.83678%0.777SS**  60.3148.7115.2-61179.8142.200124.9
337D28.1Very low31.3Very low150 Ų150135.2 Ų135.280%0.80277%0.769SS**  trans-58.2153.1-169.7-56.5-55.6000118.9
338S28.2Very low31.6Very low110 Ų110130 Ų13077%0.76976%0.764SS**  165.6139.4111.7-750000117.3
339S26.7Very low32.1Very low102 Ų102129.6 Ų129.671%0.71376%0.764SS**  trans67.1118.1139.662.90000125
340L29.8Very low32.2Very low153 Ų153126.2 Ų126.280%0.80176%0.756SS**  95.1129.2126.9-72168.2000124.3
341L32.9Very low32.2Very low166 Ų166125.5 Ų125.587%0.86975%0.75SS**  trans65.4133.2148.4-69.4161.2000120.3
342G27.8Very low32.3Very low62 Ų62132.6 Ų132.664%0.63976%0.759SS**  cis168.9-176.4-5.800000114.3
343K30.3Very low32.3Very low179 Ų179132.5 Ų132.578%0.77875%0.751SS**  trans69142.1176.1-69.4-174.1138.9-73.10116.5
344D29.2Very low31.9Very low130 Ų130137.5 Ų137.570%0.69575%0.753SS**  cis-139.7167.3-5.6-93.7-40.4000110.7
345S29.6Very low31.8Very low108 Ų108141 Ų14176%0.75575%0.753SS**  trans-156.7-178.2178.168.50000108.2
346P50.8Low32.7Very low115 Ų115140.8 Ų140.875%0.74776%0.758SS**  cis-128.2-1461.837.2-12.5000109.5
347P47.6Very low32.5Very low115 Ų115135.1 Ų135.175%0.74775%0.748SS**  cis-139166.5-4.143.1-24000119.9
348T35.9Very low32.5Very low130 Ų130139 Ų13980%0.79875%0.753SS**  trans-80.6-162.7158.542.50000110.6
349P43.5Very low32.5Very low114 Ų114138.8 Ų138.874%0.7475%0.752SS**  cis-118.5-1560.245.4-28.2000112.2
350T32.5Very low32.4Very low112 Ų112139.9 Ų139.969%0.68776%0.76SS**  cis-146.915311.7-1.30000107.3
351M28.4Very low32.3Very low139 Ų139137.9 Ų137.969%0.68576%0.758SS**  cis70.6104.939.2-110.8-61.7-74.600116.3
352Y29.8Very low32.1Very low210 Ų210135 Ų13582%0.82475%0.752SS**  trans176166.4141.2-88.6-60.1000110.3
353K28.4Very low32Very low173 Ų173138.3 Ų138.375%0.75276%0.76SS**  -165.8100.6-68.8178.6179.9179.1-177.70110.5
354Y22.6Very low31.9Very low190 Ų190134.7 Ų134.775%0.74576%0.757SS**  trans34.9123.4147.6-161.6-117.7000122.9
355R27.5Very low31.9Very low197 Ų197133.3 Ų133.374%0.74376%0.764SS**  trans79.6156.8153.2-92.5-162.8134.783.71.2121.2
356P47.1Very low31.7Very low122 Ų122132.9 Ų132.979%0.79277%0.767SS**  trans-116.6178.7-163.444.7-35.6000114.9
357G26.4Very low30.7Very low61 Ų61135.6 Ų135.663%0.62977%0.772SS**  trans-172.2131.9164.900000116.5
358Y27.1Very low30.8Very low230 Ų230134.5 Ų134.590%0.90276%0.764SS**  trans59119.3147.7-68.6-84.5000123.4
359S27.8Very low30.6Very low107 Ų107136.3 Ų136.375%0.74876%0.763SS**  trans-39.6150.1150.653.50000117.3
360S26.4Very low29.9Very low125 Ų125135.2 Ų135.287%0.87476%0.759SS**  trans-148.5144.6132.861.80000111.6
361S26.2Very low29.8Very low111 Ų111135.1 Ų135.178%0.77676%0.762SS**  trans-114.8148176.254.90000109.9
362S28.6Very low29.9Very low105 Ų105133.9 Ų133.973%0.73477%0.767SS**  trans166.2142.5132.953.10000114.3
363T27.3Very low30Very low131 Ų131128.1 Ų128.180%0.80476%0.763SS**  trans54.7154.6142.644.90000121.8
364S27.6Very low30.2Very low103 Ų103129 Ų12972%0.7277%0.767SS**  cis-172.2168.9-4.642.10000111.2
365A27.9Very low30.6Very low101 Ų101126.6 Ų126.684%0.83577%0.766SS**  trans70.9155.2158.700000117.6
366A25.9Very low30.6Very low99 Ų99122.3 Ų122.382%0.81877%0.766SS**  cis-160.9179.9-19.900000111.3
367M30.3Very low29.8Very low173 Ų173128.3 Ų128.385%0.85277%0.773SS**  trans-77-165.8178.2-67.1-88.9-74.800112.3
368P49.6Very low29.9Very low91 Ų91129 Ų12959%0.59178%0.781SS**  cis-145-170.12.722.28000118.1
369H31.1Very low30Very low168 Ų168125.2 Ų125.278%0.77878%0.776SS**  trans81.3159.4155.4-60.9-65000121.7
370S29Very low30.2Very low92 Ų92124.4 Ų124.464%0.64377%0.77SS**  cis-176.1174.7-42.264.30000112.4
371S30.7Very low30.4Very low109 Ų109125.1 Ų125.176%0.76276%0.763SS**  trans78.9151.3162.985.70000118.4
372S30.7Very low30.7Very low113 Ų113129 Ų12979%0.7977%0.767SS**  cis-165.1147.8-13.6-110.90000114.7
373A32.8Very low30.6Very low89 Ų89132.3 Ų132.374%0.73677%0.77SS**  trans32.1136.1152.100000122.5
374K31.7Very low31.5Very low193 Ų193130.8 Ų130.884%0.83976%0.763SS**  171.8169.187.3-84.6-179.8-176.61770108.8
375L30.4Very low31.6Very low138 Ų138131.2 Ų131.272%0.72376%0.761SS**  cis-165149.2-6.4-122.5176000110.9
376S28.8Very low31.7Very low107 Ų107131.4 Ų131.475%0.74876%0.757SS**  trans56.3168.3153.4540000121.3
377R29.3Very low31.9Very low248 Ų248134.3 Ų134.394%0.93676%0.756SS**  cis174.7134.8-39.3170.6178.7165146.8-1.9107.1
378G28.5Very low31.9Very low76 Ų76130.2 Ų130.278%0.78475%0.75SS**  trans161.215116900000113.7
379D30.3Very low30.9Very low151 Ų151134.1 Ų134.181%0.80776%0.761SS**  trans-146.3147.9-166.2-150.3-25.8000113.2
380S31Very low30.8Very low90 Ų90131.1 Ų131.163%0.62976%0.758SS**  trans60.8127.2146-800000125.5
381L31.7Very low30.9Very low139 Ų139131.1 Ų131.173%0.72876%0.758SS**  95.6119124.9-109.562.9000125
382K30.5Very low30.9Very low194 Ų194137.7 Ų137.784%0.84377%0.767SS**  86.3146.7129.1-94.1172.5-169.3178.10125
383E27.8Very low30.8Very low173 Ų173140.4 Ų140.481%0.80877%0.766SS**  trans-73.3-176.1171.6-103.5-166.8138.900114.2
384P45.8Very low31.4Very low99 Ų99141.8 Ų141.864%0.64377%0.768SS**  cis-145.417019.943.1-22.8000120.6
385T30Very low31.4Very low113 Ų113137 Ų13769%0.69376%0.759SS**  trans54.9116.514253.10000126.5
386S30.2Very low31.2Very low105 Ų105140.4 Ų140.473%0.73476%0.764SS**  106.5149.311377.50000125.3
387I30.7Very low31.3Very low159 Ų159145.1 Ų145.182%0.81577%0.765SS**  trans91.6133.1153.9-68.3162.4000122.2
388A28.9Very low31.2Very low88 Ų88138.9 Ų138.973%0.72776%0.759SS**  trans67155.9157.300000122.1
389E28.9Very low31.3Very low173 Ų173144.1 Ų144.181%0.80876%0.764SS**  cis-171.9154.7-27.7-176.2172.7156.900111.6
390S30.2Very low31.9Very low104 Ų104142.2 Ų142.273%0.72776%0.759SS**  trans70.3156.9159.9-94.70000119.8
391S30.6Very low31.6Very low92 Ų92143 Ų14364%0.64376%0.764SS**  cis-165.4169.6-4.750.60000114.3
392R29.3Very low31.4Very low248 Ų248144 Ų14494%0.93677%0.77SS**  trans112146.2151.1-63.2-176.5-175.6-157.3-2.6120.9
393H29Very low31.2Very low169 Ų169143.6 Ų143.678%0.78277%0.771SS**  trans-126.1179.9-172.5-129.7-48.1000108.3
394P44.9Very low31.8Very low118 Ų118140.5 Ų140.577%0.76677%0.766SS**  -144.8-139.958.139.2-15.3000114.9
395S31.5Very low31Very low94 Ų94143.8 Ų143.866%0.65777%0.773SS**  trans-168145.4-136.153.70000115.1
396Y27.6Very low30.9Very low209 Ų209142.7 Ų142.782%0.8277%0.77SS**  trans-154.7-177.8144-134.6-93.4000113.5
397R29.7Very low30.9Very low206 Ų206147.4 Ų147.478%0.77778%0.777SS**  trans-179.1111-136.9168.1-124.1174.3-175.4-4.9113.1
398S29.1Very low30.8Very low117 Ų117151 Ų15182%0.81878%0.781SS**  trans-164.2135.4166.754.20000116.3
399E30.2Very low30.7Very low186 Ų186152 Ų15287%0.86978%0.783SS**  trans-94-167.2156.3-74.6-154.5137.600109.5
400P42Very low31.3Very low111 Ų111149.2 Ų149.272%0.72178%0.779SS**  cis-146.4-179.73.845.8-26.5000119.4
401S24.7Very low31.3Very low105 Ų105150 Ų15073%0.73478%0.78SS**  trans86.6158.6136.6-147.60000123.8
402L28.4Very low31.2Very low161 Ų161155 Ų15584%0.84379%0.791SS**  trans93119.2158.8-57.1-177.6000122.1
403E26Very low31.1Very low185 Ų185146.9 Ų146.986%0.86478%0.784SS**  trans-78.5-173.6153.1-58.4-173.6111.200110
404P41.1Very low31.2Very low108 Ų108148.1 Ų148.170%0.70179%0.787SS**  cis-145.6179.48.944.3-23.9000119
405E28.6Very low30.6Very low168 Ų168147.4 Ų147.479%0.78579%0.785SS**  trans66.1136.9139.3-84.9-85.176.100124.6
406S27.9Very low30.4Very low91 Ų91151.8 Ų151.864%0.63679%0.792SS**  trans96.1109.7140.978.30000123.8
407F29.1Very low30.4Very low203 Ų203150.5 Ų150.589%0.8979%0.793SS**  trans72.9150132.9-91.4-95.6000125.1
408R28.5Very low30.4Very low234 Ų234148.9 Ų148.988%0.88379%0.792SS**  trans74.695.3165.3-74.1-172.5174-175.6-0.5120.8
409S26.7Very low30.3Very low110 Ų110150.8 Ų150.877%0.76979%0.794SS**  trans-53.7164.9132.4-57.90000111.7
410P42.8Very low31Very low114 Ų114147.2 Ų147.274%0.7479%0.786SS**  cis-148.9-17028.539.3-16000118.8
411T28.9Very low30.3Very low121 Ų121150.3 Ų150.374%0.74280%0.796SS**  trans94.5111.8149.87.30000121.6
412F28.2Very low30.5Very low197 Ų197151 Ų15186%0.86480%0.8SS**  trans55109.4137.9-103.7-109.4000121.3
413G29Very low30.6Very low78 Ų78148.2 Ų148.280%0.80480%0.795SS**  trans-158.7135157.400000110.4
414K30.9Very low30.6Very low195 Ų195143 Ų14385%0.84879%0.79SS**  trans-102.7126.3-177-65175.9-178.2174.30111.5
415S30.9Very low30.1Very low102 Ų102143.3 Ų143.371%0.71380%0.795SS**  177.8132.1127.4-169.80000109.9
416F28.6Very low30.2Very low186 Ų186146.9 Ų146.982%0.81680%0.801SS**  trans-131.4113.4168-86-76.4000109.9F418F416-F418 HydrophobicContact CB-CD2 4.12Å; F416-F418 HydrophobicContact CB-CE2 4.17Å; F416-F418 HydrophobicContact CD1-CE2 4.02Å; F416-F418 HydrophobicContact CG-CE2 4.24Å
417H28Very low30.4Very low182 Ų182147.9 Ų147.984%0.84381%0.808SS**  trans-71.6146.5151.6-102.8-100.1000108.6
418F28.3Very low30.3Very low172 Ų172144.1 Ų144.175%0.75481%0.807SS**  trans-138.9127.8168.6-100.5-80.7000110.3F416F416-F418 HydrophobicContact CB-CD2 4.12Å; F416-F418 HydrophobicContact CB-CE2 4.17Å; F416-F418 HydrophobicContact CD1-CE2 4.02Å; F416-F418 HydrophobicContact CG-CE2 4.24Å
419D28.4Very low30.3Very low158 Ų158138.5 Ų138.585%0.84580%0.804SS**  trans-139.6155.6148.3-108.2-40.3000107
420P43.3Very low30.7Very low110 Ų110141 Ų14171%0.71481%0.808SS**  trans-94.9155.2-148.434.9-37.8000115.2
421L28.6Very low30Very low177 Ų177144.9 Ų144.993%0.92781%0.813SS**  trans-126.4144.5162-89.9175.3000112.8
422S28.9Very low30.1Very low118 Ų118144.6 Ų144.683%0.82582%0.816SS**  trans-66.9145.8170.1179.50000111.1
423S29.3Very low30.3Very low104 Ų104138.8 Ų138.873%0.72780%0.804SS**  trans-142.3124156.6-175.70000110
424G27.1Very low30.3Very low74 Ų74144.6 Ų144.676%0.76381%0.811SS**  trans-110.6138158.700000108.1
425S29.9Very low30.2Very low116 Ų116138.2 Ų138.281%0.81180%0.8SS**  trans-121.5139-179.5-67.10000111.2
426R31.5Very low30.2Very low242 Ų242141 Ų14191%0.91381%0.813SS**  trans-107.6131.9176.6-90-172.3170.3-160.8-1.6111.1
427S31.7Very low30.1Very low112 Ų112135.1 Ų135.178%0.78381%0.805SS**  trans23129143.261.20000120.5
428S26.7Very low30.1Very low124 Ų124135.9 Ų135.987%0.86781%0.806SS**  trans-119.5151.8143.158.70000109.9
429S29.6Very low30.1Very low117 Ų117135.3 Ų135.382%0.81881%0.806SS**  trans-167.1141.7179176.50000109.4
430L34.3Very low30.3Very low162 Ų162135.4 Ų135.485%0.84881%0.806SS**  trans-172.4121.7163.8-115.8170.7000114.6
431K27.2Very low29.5Very low195 Ų195133.2 Ų133.285%0.84880%0.803SS**  trans171.2119.5138-94.7167.2-179.4-179.30108.3
432S32.5Very low29.6Very low116 Ų116133.6 Ų133.681%0.81180%0.8SS**  82.7132.982.2-133.40000112.4
433A30.8Very low29.6Very low74 Ų74134.1 Ų134.161%0.61279%0.793SS**  cis-159.5177.75.100000112.9
434Q30.5Very low29.6Very low201 Ų201137.5 Ų137.594%0.93980%0.797SS**  trans67.4147.4159.4-63.1160.6-26.900118.9
435G28.1Very low29.6Very low61 Ų61138.4 Ų138.463%0.62979%0.792SS**  cis167.5147.3-14.800000114.8
436T29.8Very low29.5Very low159 Ų159140.5 Ų140.598%0.97579%0.792SS**  trans67150.3170.667.70000118.9
437G26.9Very low29.2Very low64 Ų64139.9 Ų139.966%0.6679%0.79SS**  cis169.9146.7-16.700000114.2
438F27.6Very low29.1Very low197 Ų197138.7 Ų138.786%0.86478%0.782SS**  trans49.8143.5165.7-68-100.3000120
439E29.6Very low29.2Very low160 Ų160142 Ų14275%0.74878%0.784SS**  cis91139.527.3-71.1-166.481.700115.9
440L31.9Very low29.2Very low161 Ų161139.6 Ų139.684%0.84378%0.777SS**  cis-171.1148.4-2.5163.468.6000112
441G27.6Very low29Very low63 Ų63138.3 Ų138.365%0.64978%0.776SS**  trans141.9134152.700000122
442Q30.4Very low29.2Very low185 Ų185136 Ų13686%0.86478%0.778SS**  trans42.8159.3135.5-55.3-167.518.100124.1
443L28Very low29Very low130 Ų130135.8 Ų135.868%0.68178%0.777SS**  cis-169157.4-24.2-101.5177.9000111.5
444Q28.8Very low28.9Very low175 Ų175138.7 Ų138.782%0.81879%0.787SS**  trans55.3151.4156-71174.8-14.200121.7
445S27.9Very low28.6Very low92 Ų92134 Ų13464%0.64378%0.776SS**  cis-170.8166-23.266.50000112.6
446I28Very low28.6Very low160 Ų160139.7 Ų139.782%0.82178%0.78SS**  trans73.7139.2161.2-64.8166.2000116.2
447R26Very low28.6Very low229 Ų229139.7 Ų139.786%0.86477%0.767SS**  cis-143.2175.67.6-148.1-176.7167.7139.3-2.7113.2
448S29.1Very low28.8Very low88 Ų88141.5 Ų141.562%0.61577%0.769SS**  trans-57.2172.7178.560.60000118.1
449E29Very low28.9Very low194 Ų194140 Ų14091%0.90777%0.769SS**  cis-138.3173.617.2-65.8-179.3134.100112.8
450G28.8Very low28.8Very low66 Ų66136.2 Ų136.268%0.6877%0.766SS**  trans177.4-5.817700000124.2
451T30.2Very low28.6Very low135 Ų135135.1 Ų135.183%0.82876%0.761SS**  trans62139.8169.649.10000123
452T31.1Very low28.6Very low146 Ų146139.3 Ų139.390%0.89676%0.763SS**  trans77149.1165.162.50000120.1
453S29.2Very low28.4Very low112 Ų112136.9 Ų136.978%0.78376%0.761SS**  trans-147.3170-158.756.70000110
454T27.8Very low28.5Very low134 Ų134138.2 Ų138.282%0.82276%0.757SS**  cis-153.2172.13944.80000111.9
455S25.4Very low28.5Very low102 Ų102135.5 Ų135.571%0.71375%0.748SS**  trans-148.2138.9175.7-168.50000113.9
456Y27.8Very low29.4Very low181 Ų181134 Ų13471%0.7175%0.748SS**  trans64.6127.2148.4-91.9-132.6000122.7
457K29.9Very low30.2Very low160 Ų160129.7 Ų129.770%0.69673%0.732SS**  41.6148.7121.6-62.6-174-168.8166.10120.2
458S31.6Very low30.8Very low101 Ų101124.5 Ų124.571%0.70672%0.721SS**  cis173.3139.8-7.5162.70000108.7
459L29.2Very low30.7Very low166 Ų166125.2 Ų125.287%0.86973%0.725SS**  trans-160.7144.4155.7-140.472.5000116.1
460A27.8Very low30.7Very low81 Ų81125.1 Ų125.167%0.66972%0.718SS**  trans40.7138.2147.500000124.3
461N26.4Very low30.6Very low138 Ų138127 Ų12774%0.73871%0.712SS**  trans37.6140.1138-83.91.4000122.1
462Q28.8Very low30.6Very low150 Ų150125.7 Ų125.770%0.70171%0.709SS**  cis-165.7179.9-12-140.6178.361.300109.8
463T25.1Very low30.5Very low134 Ų134124.1 Ų124.182%0.82269%0.694SS**  trans63.7170.6176.6720000116
464R31.1Very low30.3Very low158 Ų158127.3 Ų127.360%0.59670%0.702SS**  trans-117.7142.3-157.4-54.9155.197.4147.77.3109.8S467R464-S467 WeakPolarHBondContact CB-O 3.45Å; R464-S467 PolarHBondContact NE-OG 2.93Å; R464-S467 PolarHBondContact NH2-OG 3.39Å
465N27.8Very low30.5Very low118 Ų118126.2 Ų126.263%0.63170%0.695SS**SBend-146.5142.8121.4-130-29.6000109.8L468 S469N465-L468 PolarHBondContact OD1-O 2.81Å; N465-S469 PolarHBondContact ND2-O 3.36Å
466G46.4Very low30.8Very low62 Ų62126.6 Ų126.664%0.63970%0.695SS**SBendtrans103.988.8-147.100000108.3
467S46.7Very low30.7Very low68 Ų68122.5 Ų122.548%0.47669%0.693SS.*SBendtrans66119-14176.90000113.9R464R464-S467 WeakPolarHBondContact CB-O 3.45Å; R464-S467 PolarHBondContact NE-OG 2.93Å; R464-S467 PolarHBondContact NH2-OG 3.39Å
468L36.6Very low30.5Very low121 Ų121122 Ų12263%0.63470%0.698SS**SBendtrans62.1112.4161-60.3177.3000121.1N465N465-L468 PolarHBondContact OD1-O 2.81Å
469S28.6Very low30.3Very low102 Ų102121.7 Ų121.771%0.71370%0.695SS**  trans100.1179.9139.579.10000118.6N465N465-S469 PolarHBondContact ND2-O 3.36Å
470Y28Very low30.7Very low192 Ų192119 Ų11975%0.75369%0.688SS**  trans-123.7-173.5-135.5-171.3-102.9000112.4
471D28.3Very low30.7Very low106 Ų106121.3 Ų121.357%0.56769%0.689SS**  trans68.2151.7-178-67.3-54.4000115.7L473D471-L473 WeakPolarHBondContact OD1-CD1 3.02Å
472S28.6Very low30.7Very low107 Ų107123.2 Ų123.275%0.74869%0.691SS**  cis-115.6140.11.7-680000110.3
473L28.7Very low30.6Very low113 Ų113123.1 Ų123.159%0.59269%0.691SS**  50.78573.4-64.4179.2000113.8D471 T475D471-L473 WeakPolarHBondContact OD1-CD1 3.02Å; L473-T475 HydrophobicContact CD2-CG2 4.27Å
474L26.6Very low30.7Very low179 Ų179120.8 Ų120.894%0.93768%0.68SS**  trans-105.5103.9134.5-73179000107.5
475T31.3Very low30.5Very low112 Ų112118.5 Ų118.569%0.68768%0.683SS**  trans-66165.3171.240.50000111.7L473L473-T475 HydrophobicContact CD2-CG2 4.27Å
476P32.5Very low30.5Very low110 Ų110121.7 Ų121.771%0.71470%0.695SS**  cis-142.1179.32843.5-25.3000118.2
477S24.5Very low29.6Very low95 Ų95123.3 Ų123.366%0.66470%0.702SS**  trans70.8139.8149.3-71.80000119.9
478D25.7Very low28.6Very low149 Ų149123.5 Ų123.580%0.79772%0.715SS**  cis-151.6158.7-8.1-86.6-32.3000110.7
479S27.7Very low28.5Very low94 Ų94124.3 Ų124.366%0.65773%0.727SS**  trans-90165.5157.451.50000110
480P37.1Very low28.5Very low111 Ų111126.5 Ų126.572%0.72173%0.726SS**  cis-120.3168.520.210.117.2000113.4
481D27.6Very low28.6Very low128 Ų128123.3 Ų123.368%0.68473%0.729SS**  cis97.7166.438-52.5-37.5000114
482F26.6Very low28.6Very low179 Ų179124.9 Ų124.979%0.78574%0.737SS**  trans68.5142.1170.1-76-120.8000116.6
483E27Very low29.7Very low148 Ų148124.8 Ų124.869%0.69273%0.734SS**  cis-152.5157.3-8.8-111.9-165.2109.300109.7
484S28Very low30.1Very low84 Ų84124.9 Ų124.959%0.58774%0.741SS**  62.6154.579.3114.10000115.6
485V25.8Very low30.8Very low111 Ų111125 Ų12567%0.67374%0.742SS**  cis-168.6146.1-19.9116.80000110.3
486Q27.9Very low30.6Very low185 Ų185123.3 Ų123.386%0.86475%0.747SS**  trans58.9170.2161.2-74167.5-24.400120
487A27.3Very low30.7Very low96 Ų96128.5 Ų128.579%0.79375%0.754SS**  cis-170.7157.5-41.300000113.3
488G27.3Very low31Very low72 Ų72129.3 Ų129.374%0.74276%0.755SS**  trans92.7167.515800000117.7
489P33.4Very low31.5Very low137 Ų137124.6 Ų124.689%0.8973%0.733SS**  cis-121.3-175.80.941.6-27.7000115.9
490E28.7Very low32.1Very low148 Ų148124.5 Ų124.569%0.69273%0.73SS**  trans-80.8159.6-178-98.9-74.9146.300114.9D492E490-D492 PolarHBondContact OE2-N 2.79Å
491P30.5Very low32.4Very low125 Ų125125.5 Ų125.581%0.81272%0.723SS**  -151.814393.838.2-18.7000120.3
492D27.9Very low33Very low139 Ų139122.9 Ų122.974%0.74371%0.709SS**  trans-42.7171.5158.8-88.9-48.2000118.1E490E490-D492 PolarHBondContact OE2-N 2.79Å
493P51.7Low33.8Very low106 Ų106118.3 Ų118.369%0.68870%0.699SS**  cis-136.6-173.9-40.143.5-26.5000111.7
494P36.2Very low34.5Very low115 Ų115114.4 Ų114.475%0.74769%0.693SS**  -156.1153.283.539.6-18.7000118.6
495L42.3Very low35.1Very low181 Ų181119 Ų11995%0.94870%0.697SS**  trans25.7104.9148.8-72.3160.2000120.4
496G27.7Very low35.8Very low76 Ų76118.2 Ų118.278%0.78469%0.689SS**  trans-143.9128.7170.300000115.7
497Y34.3Very low36.5Very low220 Ų220112.1 Ų112.186%0.86367%0.67SS**  trans19.5125.5156.9-157.7-114.2000121.7
498T30.5Very low37.5Very low112 Ų112113.5 Ų113.569%0.68766%0.66SS**  trans-88.9109.1178.354.50000114.3L502T498-L502 HydrophobicContact CG2-CD1 3.8Å
499S36.7Very low38Very low50 Ų50115.1 Ų115.135%0.3565%0.648SS.*  trans-64147.6174171.90000114.1F501 L502S499-F501 PolarHBondContact O-N 2.96Å; S499-F501 WeakPolarHBondContact OG-CD2 3.49Å; S499-L502 PolarHBondContact O-N 3.47Å
500P40.3Very low38.3Very low91 Ų91117.3 Ų117.359%0.59164%0.639SS**THydrogen-bonded Turntrans-57.1-20.7179.722-35.2000115.5L502 S503P500-L502 PolarHBondContact O-N 2.92Å; P500-L502 VanDerWaalsContact O-N 3.15Å; P500-S503 VanDerWaalsContact O-CB 3.31Å; P500-S503 WeakPolarHBondContact O-CB 3.15Å; P500-S503 PolarHBondContact O-N 2.59Å; P500-S503 PolarHBondContact O-OG 3.22Å
501F43.4Very low39Very low132 Ų132116.6 Ų116.658%0.57964%0.635SS**THydrogen-bonded Turntrans-62.3-17.9178.3-67.5-67.4000114.2S499 S503 A504S499-F501 PolarHBondContact O-N 2.96Å; S499-F501 WeakPolarHBondContact OG-CD2 3.49Å; F501-S503 PolarHBondContact O-N 3.26Å; F501-S503 VanDerWaalsContact O-N 3.11Å; F501-A504 PolarHBondContact O-N 3.32Å
502L38.9Very low39.5Very low74 Ų74114.2 Ų114.239%0.38763%0.626SS.*Hα-helixtrans-57-22.9169.8-88.1159000113.7T498 S499 P500 A504 R505 L506T498-L502 HydrophobicContact CG2-CD1 3.8Å; S499-L502 PolarHBondContact O-N 3.47Å; P500-L502 PolarHBondContact O-N 2.92Å; P500-L502 VanDerWaalsContact O-N 3.15Å; L502-A504 PolarHBondContact O-N 3.16Å; L502-R505 PolarHBondContact O-N 3.32Å; L502-R505 VanDerWaalsContact O-N 3.13Å; L502-L506 PolarHBondContact O-N 2.77Å
503S43.6Very low40Very low82 Ų82114.5 Ų114.557%0.57362%0.623SS**Hα-helixtrans-56.7-34.6176.7-53.80000113.3P500 F501 A507P500-S503 VanDerWaalsContact O-CB 3.31Å; P500-S503 WeakPolarHBondContact O-CB 3.15Å; P500-S503 PolarHBondContact O-N 2.59Å; P500-S503 PolarHBondContact O-OG 3.22Å; F501-S503 PolarHBondContact O-N 3.26Å; F501-S503 VanDerWaalsContact O-N 3.11Å; S503-A507 WeakPolarHBondContact O-CB 3.3Å; S503-A507 PolarHBondContact O-N 3.03Å
504A43Very low39.3Very low67 Ų67119.5 Ų119.555%0.55463%0.628SS**Hα-helixtrans-71-40177.900000111.9F501 L502 A507 Q508F501-A504 PolarHBondContact O-N 3.32Å; L502-A504 PolarHBondContact O-N 3.16Å; A504-A507 PolarHBondContact O-N 3.22Å; A504-Q508 PolarHBondContact O-N 2.64Å; A504-Q508 VanDerWaalsContact O-N 3.15Å
505R40Very low39.5Very low180 Ų180121.5 Ų121.568%0.67963%0.627SS**Hα-helixtrans-66.3-43.5177.9-152.5175.2-169.1179.22.2110.9L502 A507 Q508 Q509L502-R505 PolarHBondContact O-N 3.32Å; L502-R505 VanDerWaalsContact O-N 3.13Å; R505-A507 VanDerWaalsContact C-N 3.33Å; R505-A507 PolarHBondContact O-N 3.47Å; R505-Q508 PolarHBondContact O-N 2.69Å; R505-Q509 PolarHBondContact O-N 3.15Å
506L39.4Very low39.2Very low95 Ų95119 Ų11950%0.49762%0.622SS.*Hα-helixtrans-65-32.2174.8-71.7168.1000113.3L502 R510L502-L506 PolarHBondContact O-N 2.77Å; L506-R510 PolarHBondContact O-N 3.47Å
507A42.7Very low39.5Very low57 Ų57126.9 Ų126.947%0.47163%0.628SS.*Hα-helixtrans-66.4-44.9173.200000111.7S503 A504 R505 Q509 R510 E511S503-A507 WeakPolarHBondContact O-CB 3.3Å; S503-A507 PolarHBondContact O-N 3.03Å; A504-A507 PolarHBondContact O-N 3.22Å; R505-A507 VanDerWaalsContact C-N 3.33Å; R505-A507 PolarHBondContact O-N 3.47Å; A507-Q509 PolarHBondContact O-N 2.71Å; A507-R510 PolarHBondContact O-N 3.26Å; A507-E511 PolarHBondContact O-N 2.98Å
508Q48.5Very low39.4Very low124 Ų124124.5 Ų124.558%0.57963%0.629SS**Hα-helixtrans-64.1-37.8174.7-70.3-174.7-8300112.6A504 R505 R510 E511 A512A504-Q508 PolarHBondContact O-N 2.64Å; A504-Q508 VanDerWaalsContact O-N 3.15Å; R505-Q508 PolarHBondContact O-N 2.69Å; Q508-R510 PolarHBondContact O-N 3.4Å; Q508-E511 PolarHBondContact O-N 2.75Å; Q508-A512 PolarHBondContact O-N 3Å
509Q39Very low39.9Very low106 Ų106125.6 Ų125.650%0.49564%0.635SS.*Hα-helixtrans-60.9-44.1178.8-126.1166.8-3600111.8R505 A507 E511 A512 E513R505-Q509 PolarHBondContact O-N 3.15Å; A507-Q509 PolarHBondContact O-N 2.71Å; Q509-E511 VanDerWaalsContact C-N 3.3Å; Q509-E511 PolarHBondContact O-N 3.22Å; Q509-A512 WeakPolarHBondContact O-CB 3.4Å; Q509-A512 PolarHBondContact O-N 3.27Å; Q509-E513 PolarHBondContact O-N 2.78Å
510R39.5Very low39.8Very low184 Ų184128.8 Ų128.869%0.69466%0.655SS**Hα-helixtrans-67.8-22177-73.5179.6176.2161.50.8114.9L506 A507 Q508L506-R510 PolarHBondContact O-N 3.47Å; A507-R510 PolarHBondContact O-N 3.26Å; Q508-R510 PolarHBondContact O-N 3.4Å
511E43Very low39.5Very low132 Ų132131 Ų13162%0.61767%0.667SS**Hα-helixtrans-77.4-29.2169.8-71.4-164.4150.200111.9A507 Q508 Q509A507-E511 PolarHBondContact O-N 2.98Å; Q508-E511 PolarHBondContact O-N 2.75Å; Q509-E511 VanDerWaalsContact C-N 3.3Å; Q509-E511 PolarHBondContact O-N 3.22Å
512A40.6Very low38.9Very low75 Ų75127.8 Ų127.862%0.6267%0.671SS**Hα-helixtrans-74.8-34.6178.400000113.3Q508 Q509 R514Q508-A512 PolarHBondContact O-N 3Å; Q509-A512 WeakPolarHBondContact O-CB 3.4Å; Q509-A512 PolarHBondContact O-N 3.27Å; A512-R514 VanDerWaalsContact C-N 3.26Å; A512-R514 PolarHBondContact O-N 3.2Å
513E38.2Very low38.8Very low145 Ų145129.8 Ų129.868%0.67869%0.689SS**THydrogen-bonded Turntrans-74.1-8.8-176.7-68.7171.514800114.5Q509Q509-E513 PolarHBondContact O-N 2.78Å
514R37.3Very low38.2Very low212 Ų212132.6 Ų132.680%0.870%0.703SS**THydrogen-bonded Turntrans-94.66.3-171.8-79.6-172.6166.1-151.2-5.5116.3A512A512-R514 VanDerWaalsContact C-N 3.26Å; A512-R514 PolarHBondContact O-N 3.2Å
515H41.5Very low37.8Very low156 Ų156138.4 Ų138.472%0.72272%0.718SS**SBendtrans-130.3114.9-179.8-72.6-68.1000112.6
516P35.9Very low37.3Very low129 Ų129141.3 Ų141.384%0.83873%0.729SS**PPolyproline II helixtrans-61.7139.4169.9-21.333.3000111.5
517R34.2Very low37Very low241 Ų241145 Ų14591%0.90974%0.744SS**PPolyproline II helixtrans-82.6122.1173-70.7-176.6176-174-0.9110.3
518L31.2Very low36.7Very low170 Ų170148 Ų14889%0.8976%0.758SS**PPolyproline II helixtrans-102.8139.6157.5-79.4165.1000108.6
519V41.8Very low36.1Very low135 Ų135147.2 Ų147.282%0.81877%0.766SS**  trans-110.7116-178.6178.60000109.3
520P34.5Very low36Very low117 Ų117148 Ų14876%0.7678%0.781SS**  trans-89.3140.7166.5-4.824.4000111.1
521T32.5Very low36Very low138 Ų138144.1 Ų144.185%0.84778%0.777SS**  trans-72.7158.9167.646.40000111.8
522G31.1Very low35.9Very low64 Ų64147.5 Ų147.566%0.6678%0.784SS**  trans-66.6-177.9174.200000113.8
523P36.9Very low36.1Very low117 Ų117151.9 Ų151.976%0.7679%0.786SS**  -151.2-173.778.941.9-24.3000116.9
524T30.5Very low36.3Very low141 Ų141150 Ų15087%0.86578%0.78SS**  trans78.1132.5164.7630000119.4
525H35.3Very low36.9Very low189 Ų189147.7 Ų147.788%0.87578%0.784SS**  trans-92.8144.4178.3-160.5-107.8000109.7
526R30.5Very low37.6Very low240 Ų240143.5 Ų143.591%0.90677%0.767SS**  trans-146.1125.1176.5-158.8172.8-167.7155.94.1109.1
527E32.7Very low39Very low174 Ų174140.6 Ų140.681%0.81375%0.749SS**PPolyproline II helixtrans-64.2144.4-175.2-73.2-172.7106.400112.9
528P35.7Very low40.1Very low119 Ų119140 Ų14077%0.77375%0.747SS**PPolyproline II helixtrans-77.6127.117131.7-32.3000111.3
529S35.4Very low41.5Very low108 Ų108139.3 Ų139.376%0.75574%0.739SS**PPolyproline II helixtrans-61.3143.5168-165.60000110.6V531S529-V531 PolarHBondContact O-N 3.4Å
530P37.3Very low42.8Very low122 Ų122136.6 Ų136.679%0.79272%0.719SS**PPolyproline II helixtrans-62.4134.3-166.221.6-33.9000114.3
531V41Very low44.6Very low103 Ų103133.7 Ų133.762%0.62470%0.699SS**PPolyproline II helixtrans-73.6130.8177.8177.80000110.5S529 Y533S529-V531 PolarHBondContact O-N 3.4Å; V531-Y533 HydrophobicContact CB-CE2 4.07Å; V531-Y533 HydrophobicContact CG1-CD2 4.49Å; V531-Y533 HydrophobicContact CG1-CE1 4.24Å; V531-Y533 HydrophobicContact CG1-CE2 4.1Å; V531-Y533 VanDerWaalsContact O-CD2 3.29Å; V531-Y533 WeakPolarHBondContact O-CD2 3.29Å; V531-Y533 WeakPolarHBondContact O-CE2 3.21Å
532R40.1Very low46.3Very low202 Ų202129.6 Ų129.676%0.76268%0.679SS**  trans-95.9108-175.7-176.31701771474111.5D534R532-D534 WeakPolarHBondContact CG-OD1 3.49Å; R532-D534 IonicContact CZ-OD2 3.25Å; R532-D534 IonicContact NE-OD1 3.69Å; R532-D534 PolarHBondContact NE-OD1 3.33Å; R532-D534 IonicContact NE-OD2 2.96Å; R532-D534 PolarHBondContact NE-OD2 3.4Å; R532-D534 IonicContact NH2-OD2 2.69Å; R532-D534 PolarHBondContact NH2-OD2 3.03Å; R532-D534 PolarHBondContact O-N 2.74Å
533Y43.9Very low48.2Very low168 Ų168129.6 Ų129.666%0.65967%0.669SS**  trans-89.147.4-170.7-68.5-83.8000114.7V531 N535V531-Y533 HydrophobicContact CB-CE2 4.07Å; V531-Y533 HydrophobicContact CG1-CD2 4.49Å; V531-Y533 HydrophobicContact CG1-CE1 4.24Å; V531-Y533 HydrophobicContact CG1-CE2 4.1Å; V531-Y533 VanDerWaalsContact O-CD2 3.29Å; V531-Y533 WeakPolarHBondContact O-CD2 3.29Å; V531-Y533 WeakPolarHBondContact O-CE2 3.21Å; Y533-N535 PolarHBondContact O-N 2.92Å
534D43.4Very low49.8Very low104 Ų104128.7 Ų128.756%0.55666%0.657SS**THydrogen-bonded Turntrans-68.43.2-170-73.31.9000115.9R532R532-D534 WeakPolarHBondContact CG-OD1 3.49Å; R532-D534 IonicContact CZ-OD2 3.25Å; R532-D534 IonicContact NE-OD1 3.69Å; R532-D534 PolarHBondContact NE-OD1 3.33Å; R532-D534 IonicContact NE-OD2 2.96Å; R532-D534 PolarHBondContact NE-OD2 3.4Å; R532-D534 IonicContact NH2-OD2 2.69Å; R532-D534 PolarHBondContact NH2-OD2 3.03Å; R532-D534 PolarHBondContact O-N 2.74Å
535N49Very low51.8Low165 Ų165128 Ų12888%0.88264%0.644SS**THydrogen-bonded Turntrans-140.733-177.4-75.4-93000113.8Y533Y533-N535 PolarHBondContact O-N 2.92Å
536L56Low53.7Low68 Ų68125 Ų12536%0.35663%0.631SS.*  trans-102.3137.8173.7-144.570.5000110.4I540 V541 L544L536-I540 HydrophobicContact CD1-CG2 4.38Å; L536-I540 HydrophobicContact CD2-CB 4.14Å; L536-I540 HydrophobicContact CD2-CG2 3.6Å; L536-I540 HydrophobicContact CG-CB 4.06Å; L536-I540 HydrophobicContact CG-CD1 4.5Å; L536-I540 HydrophobicContact CG-CG2 3.89Å; L536-V541 HydrophobicContact CB-CG2 4.02Å; L536-V541 HydrophobicContact CD2-CG2 4.09Å; L536-V541 HydrophobicContact CG-CG2 4.44Å; L536-L544 HydrophobicContact CD2-CD1 3.96Å
537S65.6Low55.5Low67 Ų67122.2 Ų122.247%0.46962%0.62SS.*  trans-69.4145.9179.868.80000111H539 I540 V541S537-H539 PolarHBondContact O-N 3.22Å; S537-H539 VanDerWaalsContact O-N 3.07Å; S537-I540 PolarHBondContact O-N 3Å; S537-I540 WeakPolarHBondContact OG-CD1 3.31Å; S537-I540 WeakPolarHBondContact OG-CG1 3.43Å; S537-V541 PolarHBondContact O-N 3.09Å; S537-V541 VanDerWaalsContact O-N 3.15Å
538R58.3Low57.4Low228 Ų228118.4 Ų118.486%0.8660%0.602SS**Hα-helixtrans-54.1-33.5-175.6-69.3-176.4-179.2169.80.4113.1V541 A542R538-V541 PolarHBondContact O-N 2.69Å; R538-A542 WeakPolarHBondContact O-CB 3.26Å; R538-A542 PolarHBondContact O-N 2.96Å
539H60.3Low59.2Low156 Ų156119.5 Ų119.572%0.72260%0.595SS**Hα-helixtrans-64.4-40.1177.1-163.5-93.5000112.9S537 S543S537-H539 PolarHBondContact O-N 3.22Å; S537-H539 VanDerWaalsContact O-N 3.07Å; H539-S543 WeakPolarHBondContact O-CB 3.5Å; H539-S543 PolarHBondContact O-N 2.95Å
540I68.9Low60.5Low79 Ų79119.5 Ų119.541%0.40559%0.586SS.*Hα-helixtrans-71.5-39.6177.2-58169.7000110L536 S537 S543 L544L536-I540 HydrophobicContact CD1-CG2 4.38Å; L536-I540 HydrophobicContact CD2-CB 4.14Å; L536-I540 HydrophobicContact CD2-CG2 3.6Å; L536-I540 HydrophobicContact CG-CB 4.06Å; L536-I540 HydrophobicContact CG-CD1 4.5Å; L536-I540 HydrophobicContact CG-CG2 3.89Å; S537-I540 PolarHBondContact O-N 3Å; S537-I540 WeakPolarHBondContact OG-CD1 3.31Å; S537-I540 WeakPolarHBondContact OG-CG1 3.43Å; I540-S543 PolarHBondContact O-N 2.99Å; I540-L544 HydrophobicContact CG2-CD1 4.07Å; I540-L544 HydrophobicContact CG2-CG 4.48Å; I540-L544 WeakPolarHBondContact O-CB 3.48Å; I540-L544 VanDerWaalsContact O-CG 3.26Å; I540-L544 WeakPolarHBondContact O-CG 3.41Å; I540-L544 PolarHBondContact O-N 2.96Å
541V72.9Confident61.4Low56 Ų56119.7 Ų119.734%0.33958%0.58SS.*Hα-helixtrans-62.2-45.3174.9-178.70000111L536 S537 R538 L544 Q545L536-V541 HydrophobicContact CB-CG2 4.02Å; L536-V541 HydrophobicContact CD2-CG2 4.09Å; L536-V541 HydrophobicContact CG-CG2 4.44Å; S537-V541 PolarHBondContact O-N 3.09Å; S537-V541 VanDerWaalsContact O-N 3.15Å; R538-V541 PolarHBondContact O-N 2.69Å; V541-L544 PolarHBondContact O-N 3.35Å; V541-Q545 WeakPolarHBondContact O-CG 3.29Å; V541-Q545 PolarHBondContact O-N 2.95Å
542A66.8Low62.3Low51 Ų51124.2 Ų124.242%0.42159%0.585SS.*Hα-helixtrans-61.1-48.9176.200000111.8R538 L544 Q545 E546R538-A542 WeakPolarHBondContact O-CB 3.26Å; R538-A542 PolarHBondContact O-N 2.96Å; A542-L544 VanDerWaalsContact C-N 3.29Å; A542-L544 PolarHBondContact O-N 3.45Å; A542-Q545 PolarHBondContact O-N 3.4Å; A542-Q545 VanDerWaalsContact O-N 3.16Å; A542-E546 WeakPolarHBondContact O-CB 3.4Å; A542-E546 PolarHBondContact O-N 2.94Å
543S71Confident63.2Low65 Ų65121.2 Ų121.246%0.45558%0.58SS.*Hα-helixtrans-62.1-33.7178.2-174.90000112.8H539 I540 R547H539-S543 WeakPolarHBondContact O-CB 3.5Å; H539-S543 PolarHBondContact O-N 2.95Å; I540-S543 PolarHBondContact O-N 2.99Å; S543-R547 VanDerWaalsContact O-CB 3.29Å; S543-R547 WeakPolarHBondContact O-CB 3.34Å; S543-R547 PolarHBondContact O-N 3.33Å
544L71.8Confident63.2Low98 Ų98117 Ų11751%0.51358%0.575SS.*Hα-helixtrans-69.2-44.5172.3-72.7169.6000112.3L536 I540 V541 A542 E546 R547 E548L536-L544 HydrophobicContact CD2-CD1 3.96Å; I540-L544 HydrophobicContact CG2-CD1 4.07Å; I540-L544 HydrophobicContact CG2-CG 4.48Å; I540-L544 WeakPolarHBondContact O-CB 3.48Å; I540-L544 VanDerWaalsContact O-CG 3.26Å; I540-L544 WeakPolarHBondContact O-CG 3.41Å; I540-L544 PolarHBondContact O-N 2.96Å; V541-L544 PolarHBondContact O-N 3.35Å; A542-L544 VanDerWaalsContact C-N 3.29Å; A542-L544 PolarHBondContact O-N 3.45Å; L544-E546 VanDerWaalsContact C-N 3.33Å; L544-E546 PolarHBondContact O-N 3.16Å; L544-R547 PolarHBondContact O-N 2.82Å; L544-E548 PolarHBondContact O-N 2.87Å
545Q72.8Confident63.5Low126 Ų126117.4 Ų117.459%0.58958%0.583SS**Hα-helixtrans-66.9-33.1176.2-72.4-172.1-78.600112.9V541 A542 E548 K549V541-Q545 WeakPolarHBondContact O-CG 3.29Å; V541-Q545 PolarHBondContact O-N 2.95Å; A542-Q545 PolarHBondContact O-N 3.4Å; A542-Q545 VanDerWaalsContact O-N 3.16Å; Q545-E548 PolarHBondContact O-N 3.4Å; Q545-K549 WeakPolarHBondContact O-CB 3.42Å; Q545-K549 PolarHBondContact O-N 3.07Å
546E73.8Confident63.3Low126 Ų126115.4 Ų115.459%0.58958%0.579SS**Hα-helixtrans-68.3-44.9174.1-176.5164.4-133.200111A542 L544 E548 K549 L550A542-E546 WeakPolarHBondContact O-CB 3.4Å; A542-E546 PolarHBondContact O-N 2.94Å; L544-E546 VanDerWaalsContact C-N 3.33Å; L544-E546 PolarHBondContact O-N 3.16Å; E546-E548 VanDerWaalsContact C-N 3.29Å; E546-E548 PolarHBondContact O-N 3.15Å; E546-K549 WeakPolarHBondContact O-CB 3.34Å; E546-K549 PolarHBondContact O-N 3.4Å; E546-L550 HydrophobicContact CG-CD1 4.38Å; E546-L550 WeakPolarHBondContact O-CG 3.34Å; E546-L550 PolarHBondContact O-N 3.1Å
547R69.1Low62.5Low182 Ų182119.9 Ų119.969%0.68760%0.603SS**Hα-helixtrans-62.2-35.9173.2-164.5171.3-170.9149.93.2112.3S543 L544 L551S543-R547 VanDerWaalsContact O-CB 3.29Å; S543-R547 WeakPolarHBondContact O-CB 3.34Å; S543-R547 PolarHBondContact O-N 3.33Å; L544-R547 PolarHBondContact O-N 2.82Å; R547-L551 VanDerWaalsContact O-CG 3.31Å; R547-L551 WeakPolarHBondContact O-CG 3.35Å; R547-L551 PolarHBondContact O-N 3.36Å; R547-L551 VanDerWaalsContact O-N 3.12Å
548E72.6Confident61.1Low94 Ų94122.7 Ų122.744%0.43962%0.62SS.*Hα-helixtrans-70.1-39.2173.2-156.6-162.5143.700112.4L544 Q545 E546 L551 R552L544-E548 PolarHBondContact O-N 2.87Å; Q545-E548 PolarHBondContact O-N 3.4Å; E546-E548 VanDerWaalsContact C-N 3.29Å; E546-E548 PolarHBondContact O-N 3.15Å; E548-L551 PolarHBondContact O-N 2.91Å; E548-R552 WeakPolarHBondContact O-CG 3.5Å; E548-R552 PolarHBondContact O-N 2.89Å; E548-R552 IonicContact OE1-CZ 2.79Å; E548-R552 VanDerWaalsContact OE1-CZ 3.25Å; E548-R552 IonicContact OE1-NE 2.78Å; E548-R552 PolarHBondContact OE1-NE 3.48Å; E548-R552 IonicContact OE1-NH2 3.55Å; E548-R552 PolarHBondContact OE1-NH2 2.92Å
549K73.1Confident59.9Low142 Ų142115.3 Ų115.362%0.61761%0.614SS**Hα-helixtrans-59-46.1172-91.7-175.5172.6-177.90112Q545 E546 L551 R552 Q553Q545-K549 WeakPolarHBondContact O-CB 3.42Å; Q545-K549 PolarHBondContact O-N 3.07Å; E546-K549 WeakPolarHBondContact O-CB 3.34Å; E546-K549 PolarHBondContact O-N 3.4Å; K549-L551 VanDerWaalsContact C-N 3.34Å; K549-L551 PolarHBondContact O-N 3.18Å; K549-R552 CarbonylContact O-C 3.5Å; K549-R552 WeakPolarHBondContact O-CA 3.42Å; K549-R552 PolarHBondContact O-N 3.39Å; K549-R552 VanDerWaalsContact O-N 3.09Å; K549-Q553 VanDerWaalsContact O-CG 3.31Å; K549-Q553 WeakPolarHBondContact O-CG 3.5Å; K549-Q553 PolarHBondContact O-N 3.38Å; K549-Q553 VanDerWaalsContact O-N 3.12Å
550L62.1Low58.4Low108 Ų108119.5 Ų119.557%0.56562%0.624SS**Hα-helixtrans-63.1-39.9179.1-69.8167.9000111.6E546 R552 Q553 S554E546-L550 HydrophobicContact CG-CD1 4.38Å; E546-L550 WeakPolarHBondContact O-CG 3.34Å; E546-L550 PolarHBondContact O-N 3.1Å; L550-R552 VanDerWaalsContact C-N 3.3Å; L550-R552 PolarHBondContact O-N 3.44Å; L550-Q553 PolarHBondContact O-N 3.12Å; L550-Q553 VanDerWaalsContact O-N 3.1Å; L550-S554 PolarHBondContact O-N 3.48Å
551L57.6Low56.7Low126 Ų126124 Ų12466%0.6664%0.643SS**Hα-helixtrans-66.1-28.7172.7-71.8168.2000113.3R547 E548 K549 Q553 S554R547-L551 VanDerWaalsContact O-CG 3.31Å; R547-L551 WeakPolarHBondContact O-CG 3.35Å; R547-L551 PolarHBondContact O-N 3.36Å; R547-L551 VanDerWaalsContact O-N 3.12Å; E548-L551 PolarHBondContact O-N 2.91Å; K549-L551 VanDerWaalsContact C-N 3.34Å; K549-L551 PolarHBondContact O-N 3.18Å; L551-Q553 VanDerWaalsContact C-N 3.3Å; L551-S554 PolarHBondContact O-OG 3.49Å
552R59.9Low54.6Low197 Ų197130.6 Ų130.674%0.74367%0.67SS**THydrogen-bonded Turntrans-82.2-2.7171.9-68.6178-174.8-1228.4113.8E548 K549 L550E548-R552 WeakPolarHBondContact O-CG 3.5Å; E548-R552 PolarHBondContact O-N 2.89Å; E548-R552 IonicContact OE1-CZ 2.79Å; E548-R552 VanDerWaalsContact OE1-CZ 3.25Å; E548-R552 IonicContact OE1-NE 2.78Å; E548-R552 PolarHBondContact OE1-NE 3.48Å; E548-R552 IonicContact OE1-NH2 3.55Å; E548-R552 PolarHBondContact OE1-NH2 2.92Å; K549-R552 CarbonylContact O-C 3.5Å; K549-R552 WeakPolarHBondContact O-CA 3.42Å; K549-R552 PolarHBondContact O-N 3.39Å; K549-R552 VanDerWaalsContact O-N 3.09Å; L550-R552 VanDerWaalsContact C-N 3.3Å; L550-R552 PolarHBondContact O-N 3.44Å
553Q57.8Low52.9Low140 Ų140136.8 Ų136.865%0.65469%0.691SS**THydrogen-bonded Turntrans-111-5.1-178.1-76.7176.6-15.100114K549 L550 L551K549-Q553 VanDerWaalsContact O-CG 3.31Å; K549-Q553 WeakPolarHBondContact O-CG 3.5Å; K549-Q553 PolarHBondContact O-N 3.38Å; K549-Q553 VanDerWaalsContact O-N 3.12Å; L550-Q553 PolarHBondContact O-N 3.12Å; L550-Q553 VanDerWaalsContact O-N 3.1Å; L551-Q553 VanDerWaalsContact C-N 3.3Å
554S45.2Very low51.4Low79 Ų79139.2 Ų139.255%0.55271%0.705SS**SBendtrans-70.5128.216953.50000110.8L550 L551L550-S554 PolarHBondContact O-N 3.48Å; L551-S554 PolarHBondContact O-OG 3.49Å
555P48.5Very low49.4Very low112 Ų112137.7 Ų137.773%0.72771%0.713SS**PPolyproline II helixtrans-69.515017929.5-35.2000111.6
556P45.6Very low47.3Very low123 Ų123140.5 Ų140.580%0.79973%0.731SS**PPolyproline II helixtrans-66.8142.5173.429.2-34.3000110.9
557L38.8Very low45.1Very low162 Ų162138 Ų13885%0.84874%0.739SS**PPolyproline II helixtrans-69.4154169.2-72.4169.8000110.5G559L557-G559 PolarHBondContact O-N 2.97Å
558P37.1Very low43.2Very low127 Ų127136.3 Ų136.383%0.82574%0.744SS**PPolyproline II helixtrans-60.1132.9-173.9-23.634.4000112.8
559G32.2Very low41.1Very low73 Ų73136.6 Ų136.675%0.75376%0.756SS**PPolyproline II helixtrans-69.2146168.900000111L557L557-G559 PolarHBondContact O-N 2.97Å
560R28.9Very low38.8Very low243 Ų243133.8 Ų133.892%0.91777%0.767SS**PPolyproline II helixtrans-86.4135.5164.2-179.5171.9173161.7-2.3108.3
561E33.9Very low37.3Very low175 Ų175136 Ų13682%0.81878%0.778SS**PPolyproline II helixtrans-71.3145.5-171.9-58134.4120.400113
562E28.6Very low35.9Very low194 Ų194138.3 Ų138.391%0.90779%0.786SS**  trans-169.9119.8133-108.6175.4156.900111.7
563E30.5Very low34.4Very low181 Ų181133.8 Ų133.885%0.84678%0.784SS**  trans-163.7155.3169.3-92.1-71.8161.100105.6
564P40Very low33Very low115 Ų115133.9 Ų133.975%0.74779%0.794SS**  cis-118.6173.7-5.641-28.2000113.5
565G29.2Very low33.1Very low67 Ų67136.3 Ų136.369%0.69181%0.808SS**  trans-86.4159.8179.800000115.6
566L28.7Very low32.1Very low184 Ų184134.6 Ų134.696%0.96381%0.811SS**  trans-154.8142.7164.4-150.377000112.5
567G28Very low31.7Very low74 Ų74135 Ų13576%0.76382%0.817SS**  trans88.5147.5159.600000118.3
568D28.2Very low31.2Very low147 Ų147130.4 Ų130.479%0.78681%0.809SS**  cis-161.3156.7-32.9-172.719.4000108.4
569S28.8Very low30.9Very low99 Ų99134.1 Ų134.169%0.69282%0.815SS**  trans4.3122159.5-58.10000119.9
570G25.6Very low30.9Very low83 Ų83134.8 Ų134.886%0.85681%0.813SS**  trans-140.662.2169.300000113.3
571I31.4Very low32Very low154 Ų154128.9 Ų128.979%0.7981%0.806SS**  trans-109.9116180-51.5176.6000110.2
572Q28.3Very low32Very low176 Ų176131 Ų13182%0.82281%0.807SS**  179118.8127.7-98.6175.231.200115.3
573S27.9Very low32.1Very low101 Ų101126.4 Ų126.471%0.70679%0.792SS**  trans13.9137.9138.154.70000123.4
574T27.6Very low32.3Very low143 Ų143122.3 Ų122.388%0.87778%0.783SS**  -158.8159.1129.811.30000110.9
575P47.1Very low31.9Very low129 Ų129121.7 Ų121.784%0.83878%0.782SS**  trans-130.8167.3-158.142.6-28.4000118.9
576G28.6Very low32Very low77 Ų77123.4 Ų123.479%0.79478%0.783SS**  trans104.9157.3159.200000116.7
577S35.6Very low32.2Very low131 Ų131119.3 Ų119.392%0.91677%0.77SS**  cis-167.3157.6-10.6-169.20000112.2
578G29.5Very low32.4Very low66 Ų66122.9 Ų122.968%0.6877%0.772SS**  trans84.1147.3165.800000116.9
579H31.1Very low32.6Very low204 Ų204122.4 Ų122.494%0.94477%0.769SS**  cis-153171.6-9.5-115.6-18.2000110.2
580A31.3Very low32.6Very low88 Ų88120.5 Ų120.573%0.72776%0.756SS**  trans-124.3-178.3-172.900000110.9
581P52.3Low32.8Very low118 Ų118125.4 Ų125.477%0.76675%0.754SS**  cis-131.5-141.87.734.9-8.6000112.4
582R33.3Very low32.7Very low219 Ų219129.7 Ų129.783%0.82676%0.76SS**  cis-161.6-177.811-140.6-171-171.8-128.25.2113.8
583T32.3Very low32.9Very low98 Ų98126.2 Ų126.260%0.60176%0.755SS**  trans-48.7167167.452.70000118.4
584S33.7Very low34.1Very low95 Ų95126.7 Ų126.766%0.66476%0.756SS**  cis179.1165.7-20.959.90000111.8
585S32.4Very low34.3Very low103 Ų103128 Ų12872%0.7276%0.757SS**  trans67.7154.7145.454.80000124.6
586S30.2Very low33.6Very low102 Ų102125.2 Ų125.271%0.71375%0.751SS**  trans65.199.1153.157.80000122.8
587S32.4Very low33.9Very low98 Ų98132 Ų13269%0.68576%0.759SS**  17.1159.2119.663.30000125.2
588D33Very low33.9Very low149 Ų149132.1 Ų132.180%0.79775%0.754SS**  trans115.8114.6136.4-68.3-47.5000123.3
589D31.6Very low34.8Very low138 Ų138134.1 Ų134.174%0.73876%0.755SS**  88.7132.2127.4-145.119.6000125.7
590S30Very low34.9Very low59 Ų59132.8 Ų132.841%0.41375%0.754SS.*  trans63.1126.1138.1-86.60000126.5
591K29.8Very low34.9Very low186 Ų186132.1 Ų132.181%0.80976%0.756SS**  trans68.2149135-56.4163.9-171.9114.70115.9
592R28.8Very low34.2Very low243 Ų243138.2 Ų138.292%0.91776%0.763SS**  cis-162.815722.6-155.5179.8-175.8175.1-0.2110.6
593S33.2Very low34.5Very low103 Ų103133.5 Ų133.572%0.7276%0.761SS**  trans-73.7175163.9-25.70000111.2
594P52.9Low34.6Very low111 Ų111133.5 Ų133.572%0.72177%0.771SS**  -156-163.751.342.1-17.8000118.2
595L31.9Very low34.7Very low172 Ų172133.5 Ų133.590%0.90178%0.777SS**  trans75.9137.5168.3-95.674.3000119
596G31.1Very low35.4Very low70 Ų70134.3 Ų134.372%0.72278%0.78SS**  trans-173.1-26.2168.700000125.5
597K35.8Very low35.5Very low218 Ų218141.2 Ų141.295%0.94879%0.79SS**  trans68.7163.9-178.1-53.5174.2178.2175.20117.1
598T35.1Very low36Very low134 Ų134146.7 Ų146.782%0.82280%0.802SS**  trans-122.8-173-176.656.70000109.1
599P49.2Very low36Very low108 Ų108143.1 Ų143.170%0.70180%0.801SS**  cis-138.9-164.21.535.1-10.7000115.9
600L33.6Very low36.1Very low176 Ų176144.2 Ų144.292%0.92180%0.799SS**  trans85.8148.5158.2-63.8165.6000120.9
601G31Very low37.2Very low74 Ų74147.3 Ų147.376%0.76382%0.817SS**  trans113.472.2150.500000119
602R36Very low37.7Very low246 Ų246144.7 Ų144.793%0.92881%0.812SS**  trans-97.9119.8168.9-175.5-170.8-170-1756.4111.1
603P41.1Very low37.9Very low120 Ų120136.4 Ų136.478%0.77980%0.802SS**  trans-89.5161.7173.635-34000112.9
604A33.7Very low37.9Very low98 Ų98139.3 Ų139.381%0.8181%0.809SS**  trans-151.5151.2174.800000112.3
605A36.9Very low37Very low96 Ų96145.7 Ų145.779%0.79382%0.819SS**  trans45.2120.416000000120.5
606P46.5Very low37Very low120 Ų120140.7 Ų140.778%0.77981%0.809SS**  trans-83.2142.1167.533.7-32.6000113
607R32.8Very low37.1Very low246 Ų246150 Ų15093%0.92882%0.822SS**  trans-117.3147.1153.2-79.5-175.3172.5-171.1-1.4107.9
608F42.5Very low36.9Very low214 Ų214142.8 Ų142.894%0.93981%0.811SS**  trans-114.2154.7166.6-95.9-90000110.7
609G32.5Very low36.9Very low74 Ų74144 Ų14476%0.76382%0.818SS**  trans-125.1-178.9-16900000115.2
610K34.4Very low36Very low160 Ų160142.3 Ų142.370%0.69682%0.82SS**  trans-70167.9178.5-84.1-164.9176.8-166.60114.9D612K610-D612 WeakPolarHBondContact CD-OD2 3.31Å; K610-D612 WeakPolarHBondContact CE-OD2 3.41Å; K610-D612 IonicContact NZ-OD1 3.67Å; K610-D612 PolarHBondContact NZ-OD1 3.12Å; K610-D612 IonicContact NZ-OD2 2.62Å; K610-D612 PolarHBondContact NZ-OD2 2.91Å
611P51.8Low36Very low124 Ų124139.9 Ų139.981%0.80582%0.817SS**  -107.1158128.536.4-29.3000113.2
612D41.3Very low37Very low131 Ų131142.5 Ų142.570%0.70182%0.821SS**  trans-143.2168.1171.2-78.7-50.2000107.1K610K610-D612 WeakPolarHBondContact CD-OD2 3.31Å; K610-D612 WeakPolarHBondContact CE-OD2 3.41Å; K610-D612 IonicContact NZ-OD1 3.67Å; K610-D612 PolarHBondContact NZ-OD1 3.12Å; K610-D612 IonicContact NZ-OD2 2.62Å; K610-D612 PolarHBondContact NZ-OD2 2.91Å
613G33.4Very low37.1Very low69 Ų69139.2 Ų139.271%0.71182%0.816SS**  cis171.4158.7-100000109.4
614L32.8Very low37.6Very low164 Ų164139.1 Ų139.186%0.85982%0.815SS**  trans-147.9128.9-170.1-108.7166.7000116.2
615R33.3Very low37.3Very low245 Ų245137.6 Ų137.693%0.92581%0.809SS**  trans61.4145.4168.9-63.7179.7174.6-134.2-1.2117.8
616G32.9Very low38.1Very low68 Ų68138.7 Ų138.770%0.70181%0.808SS**  cis160.6137.3-12.100000114.3
617R33.2Very low37.4Very low264 Ų264139.4 Ų139.4100%0.99681%0.811SS**  trans66.9145.8-174.3-64.9-178.8165.5-161.6-4.2115.8
618G30.7Very low37.6Very low68 Ų68132.2 Ų132.270%0.70180%0.804SS**  cis165.5146.4-14.900000115.6
619V34.5Very low37.3Very low160 Ų160126.3 Ų126.397%0.9779%0.789SS**  trans66.5127.6159.1-169.30000119.7
620G30.4Very low37.2Very low72 Ų72133 Ų13374%0.74279%0.793SS**  trans134.8114.9146.700000118.9
621S34.2Very low37.3Very low124 Ų124133 Ų13387%0.86780%0.8SS**  trans-142.4163.5162.1-63.20000107.4
622P52.1Low36.4Very low129 Ų129130.2 Ų130.284%0.83879%0.793SS**  cis-137.6-158.221.142.3-21.1000115.8
623E37.5Very low36Very low177 Ų177136 Ų13683%0.82781%0.805SS**  trans-62.3175.1176.5-77.3-153.6136.800116.5
624P51.3Low36.1Very low118 Ų118137.3 Ų137.377%0.76680%0.803SS**  cis-133.5-165.112.234.3-10.7000116.7
625G28.1Very low36.2Very low67 Ų67137.8 Ų137.869%0.69180%0.803SS**  trans-76.7-161.8178.100000116
626P53.5Low36.6Very low118 Ų118130.4 Ų130.477%0.76679%0.789SS**  cis-149.8-153.737.440-15.2000116.8
627T32.4Very low36.7Very low136 Ų136137.2 Ų137.283%0.83480%0.795SS**  trans75.5159.9172.273.90000117.7
628A36.6Very low36.8Very low94 Ų94129 Ų12978%0.77778%0.778SS**  cis-165.9-171-39.700000107
629S35.6Very low37Very low91 Ų91130.9 Ų130.964%0.63678%0.781SS**  cis-164.1167.92.354.20000110.6
630Y31.8Very low36.9Very low213 Ų213132.4 Ų132.484%0.83578%0.777SS**  trans64.1147.9166.4-66-67.9000119.7
631L36.1Very low37Very low161 Ų161138.3 Ų138.384%0.84378%0.782SS**  cis-141.3165.34.9-128.3177.2000109.8
632G32.6Very low36.8Very low65 Ų65136.9 Ų136.967%0.6778%0.779SS**  trans-175.6-179.3175.500000114.1
633R33Very low36Very low253 Ų253139.6 Ų139.696%0.95578%0.78SS**  trans-154.3150.5168-130.7177.4-172.2-166.31114.1
634S35.3Very low36.5Very low96 Ų96137.2 Ų137.267%0.67178%0.78SS**  trans-152.8166.9179.1174.90000108.2
635M34.9Very low35.4Very low174 Ų174134.7 Ų134.786%0.85778%0.775SS**  trans-148.8154.1159.8-99.6-57.9144.300111.7
636S41.6Very low35.3Very low90 Ų90138.6 Ų138.663%0.62979%0.785SS**  trans-162.7-158.6-162.960.40000112.9
637Y36Very low34.2Very low212 Ų212137 Ų13783%0.83178%0.777SS**  trans97.1146.2178.7-79-103.3000116.9
638S34.3Very low34.2Very low91 Ų91138.1 Ų138.164%0.63677%0.773SS**  cis-155.6158.2-10-149.60000108.6
639S34.1Very low34Very low108 Ų108138.9 Ų138.976%0.75577%0.768SS**  cis93.5100.78.7-159.30000118.6
640Q32.7Very low33.9Very low191 Ų191142 Ų14289%0.89377%0.773SS**  trans173.3163.9160.5-96.7-176.446.800108.6
641K32.9Very low34Very low196 Ų196139.8 Ų139.885%0.85277%0.77SS**  cis-165.6144.2-44.5-173-176.3177.2-173.90110.3
642A29.6Very low33.8Very low95 Ų95137.8 Ų137.879%0.78576%0.764SS**  trans78.7158.716200000122.1
643Q35.2Very low33.7Very low185 Ų185138.6 Ų138.686%0.86476%0.764SS**  trans-131.7-174.2176.7-77-168.4-14.400107.9
644P49.3Very low33.6Very low128 Ų128134.6 Ų134.683%0.83176%0.761SS**  cis-137.4-171.43.543.9-25.1000116.2
645G26.9Very low33.6Very low65 Ų65138.2 Ų138.267%0.6777%0.767SS**  trans134.8101.6170.700000111.6
646V27.8Very low34.3Very low148 Ų148135.5 Ų135.590%0.89776%0.763SS**  82.9138.375.8173.70000113.2
647S29.6Very low33.9Very low86 Ų86138.5 Ų138.560%0.60177%0.771SS**  trans-56.3-172.9-168.5570000117.6
648E32Very low33.7Very low158 Ų158136.1 Ų136.174%0.73877%0.772SS**  cis-162.5170.314.3-140.5137.616800110.2
649T31.8Very low33.7Very low111 Ų111137.8 Ų137.868%0.68178%0.778SS**  trans28.6158.1149.551.80000123.1
650E33.4Very low34.5Very low157 Ų157138.8 Ų138.873%0.73478%0.782SS**  cis-165.9175.4-5-117.9168.4137.800110.2
651E33.8Very low34.6Very low166 Ų166138.4 Ų138.478%0.77678%0.778SS**  trans39.9156144-67.2-140.8124.100123.6
652V32Very low34.7Very low119 Ų119137.2 Ų137.272%0.72178%0.78SS**  cis-155.1168.8-12.9117.60000111.8
653A31.9Very low34.9Very low81 Ų81140.1 Ų140.167%0.66978%0.778SS**  trans-53.6166.5-174.900000120.8
654L30.3Very low34.7Very low170 Ų170137.6 Ų137.689%0.8978%0.775SS**  -159.1162.5116.3-132.573.3000113.8
655Q36.2Very low33.9Very low172 Ų172139 Ų13980%0.80477%0.77SS**  trans-107.7175.1166.9-58.9-177.73.500110.2
656P49Very low34.1Very low117 Ų117144.4 Ų144.476%0.7678%0.783SS**  -154.7153.493.739.4-20.8000118.9
657L32.8Very low34.3Very low152 Ų152145.9 Ų145.980%0.79678%0.777SS**  trans38.4124.4140.2-75.4160.4000123.1
658L31.6Very low34.4Very low162 Ų162147.8 Ų147.885%0.84879%0.785SS**  178.9164.3102.3-97.8172.1000113.6
659T35Very low34.3Very low127 Ų127144.7 Ų144.778%0.77979%0.787SS**  trans-133.7164.4171.8600000110.8
660P50.8Low34.3Very low128 Ų128150 Ų15083%0.83180%0.796SS**  -144.3-172.2106.438.4-22.5000114.8
661K34.3Very low34.1Very low184 Ų184146.8 Ų146.880%0.879%0.791SS**  trans-82.6168.2-178-56.6176.3174.3-177.30113.4
662D35.5Very low34Very low170 Ų170148.5 Ų148.591%0.90980%0.796SS**  -157174.2113-108.8-20000113.1
663E33.5Very low33.9Very low156 Ų156148.6 Ų148.673%0.72980%0.802SS**  trans-133.1160-166.2-171.9-177.215400111.5
664V31.2Very low33.9Very low133 Ų133153.1 Ų153.181%0.80682%0.815SS**  trans157.9150.6138.2159.50000112.7
665Q33.4Very low33.9Very low157 Ų157149 Ų14973%0.73481%0.813SS**  trans-93.5166-176.8-50.2166.224.100112.6
666L29.1Very low33.7Very low179 Ų179148.7 Ų148.794%0.93781%0.812SS**  trans-145.9149.8147.9-150.570.7000112.8
667K33.3Very low33.4Very low178 Ų178148.8 Ų148.877%0.77481%0.812SS**  trans-159.4158.2-173-163.4176.3-175.51780110.5
668T31.6Very low33.6Very low126 Ų126149.8 Ų149.877%0.77381%0.81SS**  trans87125162.1-350000117.7
669A30.3Very low33.6Very low94 Ų94147 Ų14778%0.77781%0.805SS**  163.4106.7118.900000116.3
670Y30.6Very low33.5Very low222 Ų222149.2 Ų149.287%0.87181%0.81SS**  37.9127.1129.6-97.5-87.3000125.1
671S30.1Very low32.5Very low90 Ų90146.5 Ų146.563%0.62981%0.806SS**  117.7123.3117.7-1490000121.7
672K31.7Very low32.4Very low201 Ų201143.6 Ų143.687%0.87481%0.809SS**  trans49.2127.5142.7-69.6177.1179.8177.90123.1
673S30.3Very low32.2Very low121 Ų121140.3 Ų140.385%0.84681%0.805SS**  -162.3162.711443.40000112
674N31.7Very low32.2Very low176 Ų176138.4 Ų138.494%0.94181%0.809SS**  trans-113.5161.4-176.3-79.4-16.1000111.4
675G29.4Very low32.9Very low83 Ų83138.2 Ų138.286%0.85681%0.81SS**  trans-171.985.1169.300000115.8
676Q33.3Very low32.7Very low166 Ų166134 Ų13478%0.77681%0.809SS**  trans-118.8138.6170.4-168.8-151.214.100109.7
677P42.5Very low33.6Very low119 Ų119132.1 Ų132.177%0.77381%0.808SS**  trans-85.2151.216428.1-21.9000112
678K35.6Very low33.5Very low174 Ų174127.3 Ų127.376%0.75781%0.809SS**  trans-122.6147.5-172.8-58.5175.7177.5177.60112.6
679S32.9Very low33.6Very low104 Ų104130.1 Ų130.173%0.72781%0.813SS**  trans59.8168.9140.868.70000117.9
680L33.4Very low34.2Very low172 Ų172130.7 Ų130.790%0.90181%0.809SS**  cis-159.9160.72.3-136.2159.8000106.6
681G28.3Very low34.3Very low71 Ų71124.1 Ų124.173%0.73280%0.796SS**  trans158.1151.6167.700000115.3
682S33.5Very low34.5Very low124 Ų124127.5 Ų127.587%0.86781%0.806SS**  trans-149.7173.3-174.661.20000113.4
683A30.5Very low34.6Very low100 Ų100123 Ų12383%0.82680%0.799SS**  trans83.1150.2168.400000119.4
684S33.7Very low34.5Very low116 Ų116122.7 Ų122.781%0.81180%0.797SS**  trans-111.4163.8171.9-42.60000108.9
685P46.7Very low35Very low129 Ų129120.5 Ų120.584%0.83879%0.793SS**  -142.9-175.377.336.4-17.6000114.5
686G27.2Very low35.4Very low68 Ų68123.4 Ų123.470%0.70179%0.794SS**  trans-86-157.2166.900000112.7
687P48.1Very low35.8Very low140 Ų140126.9 Ų126.991%0.90980%0.8SS**  cis-127.9179.312.742.4-27.9000115.1
688G31.7Very low35.5Very low78 Ų78124.2 Ų124.280%0.80479%0.794SS**  trans156.8114.4167.200000114.2
689Q33.1Very low35.6Very low184 Ų184117.9 Ų117.986%0.8678%0.778SS**  trans-141.7160.4174.3-124.2-163.322.600108.3
690P44.5Very low36.3Very low106 Ų106116.7 Ų116.769%0.68877%0.766SS**  -148.3165.960.640.3-21.3000118.3
691S32.8Very low37Very low85 Ų85115.9 Ų115.959%0.59476%0.755SS**  trans61.4147.8140.864.60000121.2
692L34.3Very low38Very low161 Ų161119.2 Ų119.284%0.84375%0.75SS**  cis-170.1158.4-7.5-124.944.9000105.3
693S32.5Very low39Very low105 Ų105117.6 Ų117.673%0.73473%0.734SS**  cis-173.7156.3-24.550.50000108.9
694S29.1Very low40.2Very low115 Ų115117 Ų11780%0.80472%0.724SS**  trans-140.4160.8167.561.90000110.7
695P42.5Very low41.2Very low130 Ų130112.9 Ų112.984%0.84470%0.7SS**  trans-84.7175.5-143.231.6-37.1000118
696T36.7Very low41.1Very low145 Ų145114.3 Ų114.389%0.8971%0.706SS**PPolyproline II helixtrans-90.5161.5-153.4-27.90000116.2
697R43Very low42.2Very low239 Ų239114.8 Ų114.890%0.90271%0.711SS**PPolyproline II helixtrans-67148.3173.5-78.7177.4163.6170.8-6.5114.9
698G35.4Very low42.6Very low62 Ų62111.3 Ų111.364%0.63970%0.7SS**PPolyproline II helixtrans-75.8159.8148.100000112.1
699G38.4Very low43.5Very low41 Ų41111 Ų11142%0.42368%0.683SS.*  trans-106.3111.7-158.600000115V715G699-V715 PolarHBondContact N-O 3.33Å; G699-V715 WeakPolarHBondContact O-CB 3.38Å; G699-V715 PolarHBondContact O-N 3.02Å
700V46.2Very low44.8Very low80 Ų80106 Ų10649%0.48567%0.665SS.*EExtended strand (participates in β ladder)trans-79.4122.2167.6-172.20000110E712 I713V700-E712 HydrophobicContact CG1-CB 4.12Å; V700-E712 HydrophobicContact CG1-CG 4.19Å; V700-I713 WeakPolarHBondContact CA-O 3.43Å
701K49.5Very low45.4Very low154 Ų154107.3 Ų107.367%0.6766%0.657SS**EExtended strand (participates in β ladder)trans-107.5138.7169-76.6-176.1177.1177.20110.4I713K701-I713 PolarHBondContact N-O 3.45Å; K701-I713 PolarHBondContact O-N 2.82Å
702K48.1Very low46.5Very low142 Ų142109.3 Ų109.362%0.61766%0.657SS**EExtended strand (participates in β ladder)trans-93.1133.8168.1-55-155.4-172.9-154.50109.2T710 Y711 E712K702-T710 HydrophobicContact CB-CG2 4.16Å; K702-Y711 WeakPolarHBondContact CA-O 3.46Å; K702-E712 HydrophobicContact CD-CG 4.01Å; K702-E712 WeakPolarHBondContact CE-OE1 3.48Å; K702-E712 HydrophobicContact CG-CG 3.88Å; K702-E712 IonicContact NZ-OE1 2.61Å; K702-E712 PolarHBondContact NZ-OE1 3Å
703V55Low47.5Very low89 Ų89106.3 Ų106.354%0.53964%0.641SS.*EExtended strand (participates in β ladder)trans-129.9127.5172.8-174.10000108.3Y711V703-Y711 PolarHBondContact N-O 2.98Å; V703-Y711 VanDerWaalsContact N-O 3.08Å; V703-Y711 PolarHBondContact O-N 3.08Å
704S55.6Low48.8Very low87 Ų87106 Ų10661%0.60864%0.639SS**EExtended strand (participates in β ladder)trans-93.2122.3177.7-57.80000110T710S704-T710 PolarHBondContact OG-OG1 2.61Å
705G55.3Low49.8Very low30 Ų30107.6 Ų107.631%0.30964%0.644SS.*PPolyproline II helixtrans-79.6151.6172.600000111.8G707 G708 T709G705-G707 PolarHBondContact O-N 3.01Å; G705-G708 PolarHBondContact O-N 2.96Å; G705-T709 PolarHBondContact N-O 2.84Å
706V45.3Very low50.2Low160 Ų160106.5 Ų106.597%0.9763%0.634SS**THydrogen-bonded Turntrans-62.5127170.9-175.70000108.4
707G49.1Very low50.9Low78 Ų78104.5 Ų104.580%0.80462%0.62SS**THydrogen-bonded Turntrans106.5-2.5-164.800000114.3G705 T709G705-G707 PolarHBondContact O-N 3.01Å; G707-T709 PolarHBondContact O-N 3.06Å
708G56.4Low51.3Low66 Ų6697 Ų9768%0.6861%0.605SS**SBendtrans86.2-1.5168.300000115.5G705G705-G708 PolarHBondContact O-N 2.96Å
709T50.8Low52.3Low72 Ų7299.1 Ų99.144%0.44260%0.602SS.*  trans-74.6126.617247.40000110.4G705 G707 Y711G705-T709 PolarHBondContact N-O 2.84Å; G707-T709 PolarHBondContact O-N 3.06Å; T709-Y711 WeakPolarHBondContact CB-OH 3.12Å; T709-Y711 WeakPolarHBondContact OG1-CE2 3.4Å; T709-Y711 PolarHBondContact OG1-OH 3.1Å; T709-Y711 VanDerWaalsContact OG1-OH 3.1Å
710T59.9Low53.2Low78 Ų78102.7 Ų102.748%0.47961%0.614SS.*EExtended strand (participates in β ladder)trans-110.1131.8177.8-59.70000109.8K702 S704K702-T710 HydrophobicContact CB-CG2 4.16Å; S704-T710 PolarHBondContact OG-OG1 2.61Å
711Y58.4Low53.6Low134 Ų134104.2 Ų104.253%0.52562%0.622SS.*EExtended strand (participates in β ladder)trans-112.9136.6-177.8-56.6-90.8000109.9K702 V703 T709K702-Y711 WeakPolarHBondContact CA-O 3.46Å; V703-Y711 PolarHBondContact N-O 2.98Å; V703-Y711 VanDerWaalsContact N-O 3.08Å; V703-Y711 PolarHBondContact O-N 3.08Å; T709-Y711 WeakPolarHBondContact CB-OH 3.12Å; T709-Y711 WeakPolarHBondContact OG1-CE2 3.4Å; T709-Y711 PolarHBondContact OG1-OH 3.1Å; T709-Y711 VanDerWaalsContact OG1-OH 3.1Å
712E55.4Low53.9Low128 Ų128100.6 Ų100.660%0.59862%0.619SS**EExtended strand (participates in β ladder)trans-93.4124.9166.5-84.3175.9-150.100109V700 K702V700-E712 HydrophobicContact CG1-CB 4.12Å; V700-E712 HydrophobicContact CG1-CG 4.19Å; K702-E712 HydrophobicContact CD-CG 4.01Å; K702-E712 WeakPolarHBondContact CE-OE1 3.48Å; K702-E712 HydrophobicContact CG-CG 3.88Å; K702-E712 IonicContact NZ-OE1 2.61Å; K702-E712 PolarHBondContact NZ-OE1 3Å
713I55.6Low54.4Low97 Ų9797.5 Ų97.550%0.49762%0.619SS.*EExtended strand (participates in β ladder)trans-124.1119.7174.9-57.7176.8000107.8V700 K701 V715V700-I713 WeakPolarHBondContact CA-O 3.43Å; K701-I713 PolarHBondContact N-O 3.45Å; K701-I713 PolarHBondContact O-N 2.82Å; I713-V715 HydrophobicContact CG2-CG2 4.38Å
714S59Low54.3Low99 Ų9998.2 Ų98.269%0.69263%0.626SS**EExtended strand (participates in β ladder)trans-75.3132.8167.7-56.80000109.8
715V50.8Low54.2Low149 Ų14999.2 Ų99.290%0.90363%0.627SS**  trans-123.30177-166.80000109.8G699 I713G699-V715 PolarHBondContact N-O 3.33Å; G699-V715 WeakPolarHBondContact O-CB 3.38Å; G699-V715 PolarHBondContact O-N 3.02Å; I713-V715 HydrophobicContact CG2-CG2 4.38Å

Retrieved 715 of 715 residues in 179.3 ms (Link to these results)

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