A0A077ZLG8_TRITR Loading...

Helicase C and SNF2 N domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZLG8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 802 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
1M68.6Low79.4Confident180 Ų18085.2 Ų85.289%0.88739%0.388SS*.  0-77.20-67.5-161.9-75.100114M3 E4 R5M1-M3 PolarHBondContact O-N 3.07Å; M1-E4 WeakPolarHBondContact CA-OE2 3.45Å; M1-E4 PolarHBondContact N-OE1 3.43Å; M1-E4 PolarHBondContact N-OE2 3.37Å; M1-E4 PolarHBondContact O-N 3.18Å; M1-R5 PolarHBondContact O-N 3.04Å
2E75.9Confident79.4Confident36 Ų3681.2 Ų81.217%0.16837%0.368CS..Hα-helixtrans-66.4-36.7-170.5178.863-169.300113.3R5 R6 K253E2-R5 WeakPolarHBondContact O-CB 3.33Å; E2-R5 PolarHBondContact O-N 2.93Å; E2-R5 VanDerWaalsContact O-N 3.15Å; E2-R5 IonicContact OE1-CZ 2.75Å; E2-R5 IonicContact OE1-NE 2.88Å; E2-R5 PolarHBondContact OE1-NE 3.25Å; E2-R5 IonicContact OE1-NH2 3.82Å; E2-R5 PolarHBondContact OE1-NH2 2.86Å; E2-R5 IonicContact OE2-CZ 2.68Å; E2-R5 IonicContact OE2-NE 3.35Å; E2-R5 PolarHBondContact OE2-NE 2.62Å; E2-R5 IonicContact OE2-NH2 3.44Å; E2-R6 PolarHBondContact O-N 2.88Å; E2-K253 IonicContact OE1-NZ 2.67Å; E2-K253 PolarHBondContact OE1-NZ 3.16Å; E2-K253 IonicContact OE2-NZ 3.68Å; E2-K253 PolarHBondContact OE2-NZ 3.31Å
3M75.4Confident79.2Confident119 Ų11978.9 Ų78.959%0.58636%0.358SS*.Hα-helixtrans-64.3-42.5175.1-68.6-166.2-89.600112.2M1 R5 R6 K7 W729M1-M3 PolarHBondContact O-N 3.07Å; M3-R5 VanDerWaalsContact C-N 3.25Å; M3-R5 PolarHBondContact O-N 3.33Å; M3-R6 PolarHBondContact O-N 2.91Å; M3-K7 PolarHBondContact O-N 3.12Å; M3-W729 HydrophobicContact SD-CZ2 4.37Å
4E80.3Confident79.1Confident104 Ų10480.5 Ų80.549%0.48636%0.364SS..Hα-helixtrans-61.7-34172.1-56.1116.2-125.400112.1M1 K7 R8M1-E4 WeakPolarHBondContact CA-OE2 3.45Å; M1-E4 PolarHBondContact N-OE1 3.43Å; M1-E4 PolarHBondContact N-OE2 3.37Å; M1-E4 PolarHBondContact O-N 3.18Å; E4-K7 PolarHBondContact O-N 3.32Å; E4-R8 VanDerWaalsContact CB-NH1 3.35Å; E4-R8 WeakPolarHBondContact O-CG 3.33Å; E4-R8 PolarHBondContact O-N 3.01Å; E4-R8 PolarHBondContact O-NH1 3.49Å
5R81.6Confident78.8Confident12 Ų1281.9 Ų81.95%0.04538%0.375CS..Hα-helixtrans-62.8-46.1175.7-166.7-168.367.395.53.2111.4M1 E2 M3 K7 R8 I9 D71 N72 E75 K253 G300M1-R5 PolarHBondContact O-N 3.04Å; E2-R5 WeakPolarHBondContact O-CB 3.33Å; E2-R5 PolarHBondContact O-N 2.93Å; E2-R5 VanDerWaalsContact O-N 3.15Å; E2-R5 IonicContact OE1-CZ 2.75Å; E2-R5 IonicContact OE1-NE 2.88Å; E2-R5 PolarHBondContact OE1-NE 3.25Å; E2-R5 IonicContact OE1-NH2 3.82Å; E2-R5 PolarHBondContact OE1-NH2 2.86Å; E2-R5 IonicContact OE2-CZ 2.68Å; E2-R5 IonicContact OE2-NE 3.35Å; E2-R5 PolarHBondContact OE2-NE 2.62Å; E2-R5 IonicContact OE2-NH2 3.44Å; M3-R5 VanDerWaalsContact C-N 3.25Å; M3-R5 PolarHBondContact O-N 3.33Å; R5-K7 VanDerWaalsContact C-N 3.35Å; R5-K7 PolarHBondContact O-N 2.9Å; R5-R8 PolarHBondContact O-N 3.45Å; R5-I9 HydrophobicContact CG-CD1 4Å; R5-I9 WeakPolarHBondContact O-CG1 3.14Å; R5-I9 PolarHBondContact O-N 2.96Å; R5-I9 VanDerWaalsContact O-N 3.11Å; R5-D71 PolarHBondContact NH1-O 3.4Å; R5-N72 VanDerWaalsContact CZ-OD1 3.27Å; R5-N72 PolarHBondContact NH1-OD1 3.28Å; R5-N72 PolarHBondContact NH2-OD1 2.98Å; R5-E75 HydrophobicContact CG-CG 4.38Å; R5-K253 VanDerWaalsContact NH2-NZ 3.13Å; R5-G300 PolarHBondContact NH2-O 3.03Å
6R80.5Confident78.3Confident62 Ų6278 Ų7823%0.23436%0.359CS..Hα-helixtrans-57.6-48.5175-64.9179.2-173.4-159.40.5110.8E2 M3 R8 I9 E10 K296 L297 S299 G300E2-R6 PolarHBondContact O-N 2.88Å; M3-R6 PolarHBondContact O-N 2.91Å; R6-R8 PolarHBondContact O-N 3.1Å; R6-I9 PolarHBondContact O-N 3.17Å; R6-E10 WeakPolarHBondContact O-CB 3.12Å; R6-E10 PolarHBondContact O-N 3.16Å; R6-K296 PolarHBondContact NH1-O 3.1Å; R6-K296 PolarHBondContact NH2-O 3.04Å; R6-L297 VanDerWaalsContact NH2-C 3.3Å; R6-L297 PolarHBondContact NH2-O 3.47Å; R6-S299 PolarHBondContact NH1-OG 3.21Å; R6-S299 VanDerWaalsContact NH1-OG 3.08Å; R6-G300 VanDerWaalsContact CZ-N 3.32Å; R6-G300 VanDerWaalsContact NH2-N 3.18Å
7K83.3Confident77.9Confident131 Ų13181.4 Ų81.457%0.5737%0.368SS*.Hα-helixtrans-57-48.7179.1-168.5-179.5-179.4-170.40112.6M3 E4 R5 I9 E10 E11M3-K7 PolarHBondContact O-N 3.12Å; E4-K7 PolarHBondContact O-N 3.32Å; R5-K7 VanDerWaalsContact C-N 3.35Å; R5-K7 PolarHBondContact O-N 2.9Å; K7-I9 PolarHBondContact O-N 2.73Å; K7-E10 PolarHBondContact O-N 3.42Å; K7-E11 WeakPolarHBondContact CE-OE1 3.42Å; K7-E11 IonicContact NZ-OE1 3.24Å; K7-E11 WeakPolarHBondContact O-CG 3.42Å; K7-E11 PolarHBondContact O-N 3.04Å
8R82.8Confident77.3Confident89 Ų8983.6 Ų83.634%0.33638%0.379SS..Hα-helixtrans-60.9-40.4177.5-71.3-174-56.8-91.6-1.9113.3E4 R5 R6 R12 E75E4-R8 VanDerWaalsContact CB-NH1 3.35Å; E4-R8 WeakPolarHBondContact O-CG 3.33Å; E4-R8 PolarHBondContact O-N 3.01Å; E4-R8 PolarHBondContact O-NH1 3.49Å; R5-R8 PolarHBondContact O-N 3.45Å; R6-R8 PolarHBondContact O-N 3.1Å; R8-R12 PolarHBondContact O-N 3.31Å; R8-E75 IonicContact CZ-OE1 2.81Å; R8-E75 VanDerWaalsContact CZ-OE1 3.24Å; R8-E75 IonicContact NE-OE1 2.69Å; R8-E75 PolarHBondContact NE-OE1 2.85Å; R8-E75 IonicContact NH2-OE1 3.59Å; R8-E75 PolarHBondContact NH2-OE1 3.19Å; R8-E75 IonicContact NH2-OE2 3.62Å
9I81.2Confident76.6Confident17 Ų1783.8 Ų83.89%0.08738%0.383CS..Hα-helixtrans-66.5-42.8177.7-69.7165.8000110.2R5 R6 K7 R12 Q13 D71 E75R5-I9 HydrophobicContact CG-CD1 4Å; R5-I9 WeakPolarHBondContact O-CG1 3.14Å; R5-I9 PolarHBondContact O-N 2.96Å; R5-I9 VanDerWaalsContact O-N 3.11Å; R6-I9 PolarHBondContact O-N 3.17Å; K7-I9 PolarHBondContact O-N 2.73Å; I9-R12 PolarHBondContact O-N 3.14Å; I9-Q13 HydrophobicContact CG2-CG 4.45Å; I9-Q13 WeakPolarHBondContact O-CB 3.33Å; I9-Q13 WeakPolarHBondContact O-CG 3.49Å; I9-Q13 PolarHBondContact O-N 3.26Å; I9-D71 HydrophobicContact CD1-CB 4.47Å; I9-D71 WeakPolarHBondContact CD1-O 3.36Å; I9-D71 HydrophobicContact CG2-CB 4.06Å; I9-D71 WeakPolarHBondContact CG2-OD2 3.23Å; I9-E75 HydrophobicContact CD1-CG 4.42Å; I9-E75 HydrophobicContact CG1-CG 4.23Å
10E82.1Confident75.8Confident96 Ų9682.7 Ų82.745%0.44938%0.38SS..Hα-helixtrans-63.1-43.9177.7-164.6-167.1150.800112R6 K7 Q13 K14R6-E10 WeakPolarHBondContact O-CB 3.12Å; R6-E10 PolarHBondContact O-N 3.16Å; K7-E10 PolarHBondContact O-N 3.42Å; E10-Q13 PolarHBondContact O-N 3.49Å; E10-K14 WeakPolarHBondContact O-CG 3.47Å; E10-K14 PolarHBondContact O-N 3.04Å; E10-K14 WeakPolarHBondContact OE1-CE 3.5Å; E10-K14 IonicContact OE1-NZ 4Å; E10-K14 PolarHBondContact OE1-NZ 3.06Å
11E82.3Confident74.7Confident91 Ų9187.5 Ų87.543%0.42540%0.4SS..Hα-helixtrans-58.9-48.5174-73164.8171.800111.6K7 Q13 K14 L15K7-E11 WeakPolarHBondContact CE-OE1 3.42Å; K7-E11 IonicContact NZ-OE1 3.24Å; K7-E11 WeakPolarHBondContact O-CG 3.42Å; K7-E11 PolarHBondContact O-N 3.04Å; E11-Q13 PolarHBondContact O-N 3.12Å; E11-K14 PolarHBondContact O-N 3.01Å; E11-L15 WeakPolarHBondContact O-CG 3.43Å; E11-L15 PolarHBondContact O-N 3.37Å
12R79.1Confident73.3Confident37 Ų3786.8 Ų86.814%0.1439%0.393CS..Hα-helixtrans-61.3-43.4175.5-175.8-175.855.413511.6111.9R8 I9 K14 L15 V16 E38 D71 E75R8-R12 PolarHBondContact O-N 3.31Å; I9-R12 PolarHBondContact O-N 3.14Å; R12-K14 VanDerWaalsContact C-N 3.34Å; R12-K14 PolarHBondContact O-N 3.09Å; R12-L15 PolarHBondContact O-N 3.28Å; R12-V16 WeakPolarHBondContact O-CG2 3.44Å; R12-V16 PolarHBondContact O-N 3.3Å; R12-E38 IonicContact CZ-OE2 3.4Å; R12-E38 IonicContact NH1-OE2 3.35Å; R12-E38 PolarHBondContact NH1-OE2 3.08Å; R12-D71 IonicContact CZ-OD1 3.74Å; R12-D71 IonicContact NH1-OD1 3.24Å; R12-D71 IonicContact NH2-OD1 2.79Å; R12-D71 PolarHBondContact NH2-OD1 3.46Å; R12-D71 IonicContact NH2-OD2 2.64Å; R12-D71 PolarHBondContact NH2-OD2 3.47Å; R12-E75 PolarHBondContact NE-O 2.82Å; R12-E75 PolarHBondContact NH1-O 3.31Å; R12-E75 VanDerWaalsContact NH1-O 3.12Å
13Q77.2Confident71.7Confident52 Ų5289.1 Ų89.124%0.24341%0.406CS..Hα-helixtrans-64.4-36.5176.7-75.7-170.914.300112.4I9 E10 E11 V16 R17 D71I9-Q13 HydrophobicContact CG2-CG 4.45Å; I9-Q13 WeakPolarHBondContact O-CB 3.33Å; I9-Q13 WeakPolarHBondContact O-CG 3.49Å; I9-Q13 PolarHBondContact O-N 3.26Å; E10-Q13 PolarHBondContact O-N 3.49Å; E11-Q13 PolarHBondContact O-N 3.12Å; Q13-V16 PolarHBondContact O-N 3.09Å; Q13-R17 VanDerWaalsContact O-CG 3.25Å; Q13-R17 WeakPolarHBondContact O-CG 3.4Å; Q13-R17 PolarHBondContact O-N 2.75Å; Q13-D71 PolarHBondContact NE2-OD2 2.9Å
14K77.6Confident70.1Confident101 Ų10187.6 Ų87.644%0.43941%0.405SS..Hα-helixtrans-62-45.6174.1-76170.4-177.3169.10111.1E10 E11 R12 R17 Q18E10-K14 WeakPolarHBondContact O-CG 3.47Å; E10-K14 PolarHBondContact O-N 3.04Å; E10-K14 WeakPolarHBondContact OE1-CE 3.5Å; E10-K14 IonicContact OE1-NZ 4Å; E10-K14 PolarHBondContact OE1-NZ 3.06Å; E11-K14 PolarHBondContact O-N 3.01Å; R12-K14 VanDerWaalsContact C-N 3.34Å; R12-K14 PolarHBondContact O-N 3.09Å; K14-R17 PolarHBondContact O-N 3.01Å; K14-Q18 WeakPolarHBondContact O-CG 3.48Å; K14-Q18 PolarHBondContact O-N 3.27Å
15L73.6Confident68.3Low102 Ų10291.1 Ų91.153%0.53442%0.421SS..Hα-helixtrans-59.9-47.6175.2-69.4168.6000112.2E11 R12 R17 Q18 L19E11-L15 WeakPolarHBondContact O-CG 3.43Å; E11-L15 PolarHBondContact O-N 3.37Å; R12-L15 PolarHBondContact O-N 3.28Å; L15-R17 VanDerWaalsContact C-N 3.33Å; L15-R17 PolarHBondContact O-N 3.03Å; L15-Q18 PolarHBondContact O-N 3.4Å; L15-L19 WeakPolarHBondContact O-CG 3.5Å; L15-L19 PolarHBondContact O-N 3.21Å
16V71.1Confident66.3Low19 Ų1998 Ų9812%0.11545%0.447CS..Hα-helixtrans-60.2-42.3177.7172.60000111.4R12 Q13 L20 M39R12-V16 WeakPolarHBondContact O-CG2 3.44Å; R12-V16 PolarHBondContact O-N 3.3Å; Q13-V16 PolarHBondContact O-N 3.09Å; V16-L20 HydrophobicContact CG1-CD1 3.79Å; V16-L20 WeakPolarHBondContact O-CB 3.46Å; V16-L20 VanDerWaalsContact O-CG 3.26Å; V16-L20 WeakPolarHBondContact O-CG 3.49Å; V16-L20 PolarHBondContact O-N 3.22Å; V16-L20 VanDerWaalsContact O-N 3.1Å; V16-M39 HydrophobicContact CG2-CG 4.22Å
17R72.5Confident63.9Low136 Ų136108 Ų10851%0.51349%0.485SS..Hα-helixtrans-64-46.8175.5-68.4172.6-151.6177.58111.5Q13 K14 L15 L19 L20 F21Q13-R17 VanDerWaalsContact O-CG 3.25Å; Q13-R17 WeakPolarHBondContact O-CG 3.4Å; Q13-R17 PolarHBondContact O-N 2.75Å; K14-R17 PolarHBondContact O-N 3.01Å; L15-R17 VanDerWaalsContact C-N 3.33Å; L15-R17 PolarHBondContact O-N 3.03Å; R17-L19 PolarHBondContact O-N 3.29Å; R17-L20 PolarHBondContact O-N 3.29Å; R17-F21 VanDerWaalsContact O-CD2 3.23Å; R17-F21 WeakPolarHBondContact O-CD2 3.3Å; R17-F21 PolarHBondContact O-N 3.46Å; R17-F21 VanDerWaalsContact O-N 3.12Å
18Q66.9Low61.2Low120 Ų120103.9 Ų103.956%0.56148%0.48SS*.Hα-helixtrans-56.5-48.8177.8-75169.3-16.500111.3K14 L15 L20 F21 F22K14-Q18 WeakPolarHBondContact O-CG 3.48Å; K14-Q18 PolarHBondContact O-N 3.27Å; L15-Q18 PolarHBondContact O-N 3.4Å; Q18-L20 VanDerWaalsContact C-N 3.29Å; Q18-L20 PolarHBondContact O-N 2.98Å; Q18-F21 PolarHBondContact O-N 3.36Å; Q18-F22 WeakPolarHBondContact O-CB 3.45Å; Q18-F22 PolarHBondContact O-N 3.27Å; Q18-F22 VanDerWaalsContact O-N 3.16Å
19L62.6Low58.8Low88 Ų88107.9 Ų107.946%0.46150%0.496SS..Hα-helixtrans-64.3-28.8178.8-67.7170.9000113.8L15 R17 M39L15-L19 WeakPolarHBondContact O-CG 3.5Å; L15-L19 PolarHBondContact O-N 3.21Å; R17-L19 PolarHBondContact O-N 3.29Å; L19-M39 HydrophobicContact CD1-CG 4.2Å
20L60.8Low56.3Low61 Ų61112.8 Ų112.832%0.31953%0.527SS..Hα-helixtrans-83.2-15.5177.4-72170.5000114.1V16 R17 Q18 L31 M39V16-L20 HydrophobicContact CG1-CD1 3.79Å; V16-L20 WeakPolarHBondContact O-CB 3.46Å; V16-L20 VanDerWaalsContact O-CG 3.26Å; V16-L20 WeakPolarHBondContact O-CG 3.49Å; V16-L20 PolarHBondContact O-N 3.22Å; V16-L20 VanDerWaalsContact O-N 3.1Å; R17-L20 PolarHBondContact O-N 3.29Å; Q18-L20 VanDerWaalsContact C-N 3.29Å; Q18-L20 PolarHBondContact O-N 2.98Å; L20-L31 HydrophobicContact CD2-CD2 4.29Å; L20-M39 HydrophobicContact CD2-CE 3.72Å; L20-M39 HydrophobicContact CG-CE 3.9Å
21F53.5Low54.6Low184 Ų184112.3 Ų112.381%0.80753%0.527SS*.Hα-helixtrans-114.2-1.3-176.7-75.6-67.9000114.7R17 Q18R17-F21 VanDerWaalsContact O-CD2 3.23Å; R17-F21 WeakPolarHBondContact O-CD2 3.3Å; R17-F21 PolarHBondContact O-N 3.46Å; R17-F21 VanDerWaalsContact O-N 3.12Å; Q18-F21 PolarHBondContact O-N 3.36Å
22F39Very low52.8Low166 Ų166119 Ų11973%0.72855%0.549SS*.  trans-112.690.3-174.7-142.1-90.3000112.9Q18 P24Q18-F22 WeakPolarHBondContact O-CB 3.45Å; Q18-F22 PolarHBondContact O-N 3.27Å; Q18-F22 VanDerWaalsContact O-N 3.16Å; F22-P24 HydrophobicContact CD1-CG 3.82Å; F22-P24 HydrophobicContact CE1-CG 3.62Å; F22-P24 HydrophobicContact CZ-CG 4.44Å
23D41.5Very low51.4Low84 Ų84119.4 Ų119.445%0.44956%0.557SS.*  trans-13396.4160.5-168.5-29.2000109.5H25 R26D23-H25 VanDerWaalsContact C-N 3.26Å; D23-H25 PolarHBondContact O-N 2.99Å; D23-H25 PolarHBondContact OD1-N 3.12Å; D23-R26 PolarHBondContact OD1-N 3.26Å; D23-R26 WeakPolarHBondContact OD2-CB 3.32Å
24P43Very low50.8Low87 Ų87120.2 Ų120.257%0.56556%0.563SS**SBendtrans-75.1-7.3-178.3-1832.6000114.8F22F22-P24 HydrophobicContact CD1-CG 3.82Å; F22-P24 HydrophobicContact CE1-CG 3.62Å; F22-P24 HydrophobicContact CZ-CG 4.44Å
25H43.3Very low51Low178 Ų178116.5 Ų116.582%0.82455%0.547SS*.SBendtrans-133.6-8.3-163.2-72-59.5000116.5D23D23-H25 VanDerWaalsContact C-N 3.26Å; D23-H25 PolarHBondContact O-N 2.99Å; D23-H25 PolarHBondContact OD1-N 3.12Å
26R38.1Very low51.3Low158 Ų158112 Ų11260%0.59652%0.524SS*.  trans-114.2117.3177.5-63.1-174.2169.5-144.8-1.1114.3D23 G28D23-R26 PolarHBondContact OD1-N 3.26Å; D23-R26 WeakPolarHBondContact OD2-CB 3.32Å; R26-G28 PolarHBondContact O-N 3.38Å
27R31.5Very low51.7Low270 Ų270111.3 Ų111.3100%1.01952%0.519SS*.SBendtrans-69.964.2152.1-67.4-177.8-179.3171.40.5110.1
28G25.6Very low52.1Low46 Ų46105.6 Ų105.647%0.47450%0.499SS..  trans156.682.8176.500000117.1R26R26-G28 PolarHBondContact O-N 3.38Å
29Y32.7Very low52.4Low172 Ų172101.4 Ų101.468%0.67548%0.479SS*.  trans-153.3111.3134.5-86-63.9000108.7L31Y29-L31 PolarHBondContact O-N 2.86Å
30T29.4Very low52.8Low120 Ų12099.3 Ų99.374%0.73647%0.472SS*.  trans-8065.1179.6-30000111.5R32T30-R32 PolarHBondContact O-N 2.93Å
31L45.1Very low53.2Low86 Ų86102.9 Ų102.945%0.4549%0.487SS..THydrogen-bonded Turntrans-64.46.4175.1-106.7159.7000114.4L20 Y29 S33 N34L20-L31 HydrophobicContact CD2-CD2 4.29Å; Y29-L31 PolarHBondContact O-N 2.86Å; L31-S33 VanDerWaalsContact C-N 3.26Å; L31-S33 PolarHBondContact O-N 2.97Å; L31-N34 HydrophobicContact CD2-CB 4.3Å
32R45Very low53.6Low232 Ų23299.9 Ų99.988%0.87548%0.48SS*.THydrogen-bonded Turntrans-64.7-21.4173.5-73.9-174.5172.3-178.5-2.7114T30T30-R32 PolarHBondContact O-N 2.93Å
33S50.6Low54.9Low46 Ų4693.1 Ų93.132%0.32246%0.457SS..SBendtrans-82.8-36-178.751.70000114L31 F35L31-S33 VanDerWaalsContact C-N 3.26Å; L31-S33 PolarHBondContact O-N 2.97Å; S33-F35 PolarHBondContact O-N 3.09Å
34N64.1Low56Low69 Ų6997.7 Ų97.737%0.36947%0.473SS..  trans-89.9111.1-169.8-68.5-19.1000112L31 V36 V49L31-N34 HydrophobicContact CD2-CB 4.3Å; N34-V36 PolarHBondContact O-N 3.38Å; N34-V36 VanDerWaalsContact O-N 3.1Å; N34-V49 HydrophobicContact CB-CG1 4.34Å
35F80.4Confident57.4Low23 Ų23101 Ų10110%0.10148%0.478CS..  trans-78.993.4173.8177.9-155.6000110.3S33 L37 V50 A55 M58 R63 V66S33-F35 PolarHBondContact O-N 3.09Å; F35-L37 HydrophobicContact CD2-CD2 4.26Å; F35-L37 HydrophobicContact CE1-CD2 4.15Å; F35-L37 HydrophobicContact CE2-CD2 3.5Å; F35-L37 HydrophobicContact CZ-CD2 3.41Å; F35-L37 VanDerWaalsContact CZ-CD2 3.41Å; F35-V50 HydrophobicContact CB-CB 4.2Å; F35-V50 HydrophobicContact CB-CG2 4.34Å; F35-V50 HydrophobicContact CD1-CB 3.68Å; F35-V50 HydrophobicContact CD1-CG1 4.23Å; F35-V50 HydrophobicContact CD1-CG2 3.3Å; F35-V50 HydrophobicContact CE1-CB 4.33Å; F35-V50 HydrophobicContact CE1-CG2 3.53Å; F35-V50 HydrophobicContact CG-CB 4.18Å; F35-V50 HydrophobicContact CG-CG2 3.84Å; F35-V50 HydrophobicContact CZ-CG2 4.23Å; F35-V50 PolarHBondContact O-N 3.13Å; F35-A55 HydrophobicContact CB-CB 3.76Å; F35-M58 HydrophobicContact CD1-CE 3.68Å; F35-M58 HydrophobicContact CE1-CE 3.73Å; F35-R63 HydrophobicContact CD1-CB 4.35Å; F35-R63 HydrophobicContact CD1-CG 4.07Å; F35-R63 HydrophobicContact CE1-CB 3.88Å; F35-R63 HydrophobicContact CE1-CG 4.01Å; F35-R63 HydrophobicContact CE2-CB 4.27Å; F35-R63 HydrophobicContact CZ-CB 3.86Å; F35-R63 HydrophobicContact CZ-CG 4.46Å; F35-R63 WeakPolarHBondContact CZ-O 3.42Å; F35-V66 HydrophobicContact CE1-CB 3.96Å; F35-V66 HydrophobicContact CE1-CG1 4.12Å; F35-V66 HydrophobicContact CZ-CB 4.09Å; F35-V66 HydrophobicContact CZ-CG1 4.33Å
36V80.3Confident58.8Low8 Ų895.5 Ų95.55%0.04846%0.459CS..EExtended strand (participates in β ladder)trans-84.6133.9178.2-174.10000110.7N34 M39 P46 V49N34-V36 PolarHBondContact O-N 3.38Å; N34-V36 VanDerWaalsContact O-N 3.1Å; V36-M39 HydrophobicContact CG1-CE 4.08Å; V36-M39 HydrophobicContact CG1-SD 3.94Å; V36-P46 HydrophobicContact CB-CB 4.36Å; V36-P46 HydrophobicContact CG1-CB 3.62Å; V36-P46 HydrophobicContact CG2-CB 3.77Å; V36-V49 HydrophobicContact CG2-CG2 4.35Å
37L80.5Confident60.7Low3 Ų389.2 Ų89.22%0.01644%0.44CS..EExtended strand (participates in β ladder)trans-99.6-37.1174.5-57.9-174.8000113.5F35 V48 V50 V66 Q67 Y70 V107F35-L37 HydrophobicContact CD2-CD2 4.26Å; F35-L37 HydrophobicContact CE1-CD2 4.15Å; F35-L37 HydrophobicContact CE2-CD2 3.5Å; F35-L37 HydrophobicContact CZ-CD2 3.41Å; F35-L37 VanDerWaalsContact CZ-CD2 3.41Å; L37-V48 HydrophobicContact CB-CB 4.16Å; L37-V48 HydrophobicContact CB-CG1 3.95Å; L37-V48 HydrophobicContact CD1-CG1 3.97Å; L37-V48 HydrophobicContact CG-CG1 4.27Å; L37-V48 PolarHBondContact N-O 3.35Å; L37-V50 HydrophobicContact CD1-CG2 4.11Å; L37-V50 HydrophobicContact CD2-CG2 3.99Å; L37-V50 HydrophobicContact CG-CG2 3.92Å; L37-V66 HydrophobicContact CD1-CG1 4.16Å; L37-V66 HydrophobicContact CD2-CG1 4.22Å; L37-Q67 HydrophobicContact CD2-CB 4.41Å; L37-Q67 PolarHBondContact O-NE2 3.07Å; L37-Y70 HydrophobicContact CB-CD1 4.18Å; L37-Y70 HydrophobicContact CB-CE1 4.42Å; L37-Y70 HydrophobicContact CB-CG 4.39Å; L37-Y70 HydrophobicContact CD1-CD2 4.04Å; L37-Y70 HydrophobicContact CD1-CG 4Å; L37-V107 HydrophobicContact CD1-CG1 3.85Å
38E80.3Confident63.2Low17 Ų1776.4 Ų76.48%0.07939%0.392CS..EExtended strand (participates in β ladder)trans-146.6138.8178.5-175.3152.6157.400110.4R12 A47 V48 Y70 F77R12-E38 IonicContact CZ-OE2 3.4Å; R12-E38 IonicContact NH1-OE2 3.35Å; R12-E38 PolarHBondContact NH1-OE2 3.08Å; E38-A47 PolarHBondContact O-N 3.49Å; E38-V48 HydrophobicContact CB-CB 4.25Å; E38-V48 HydrophobicContact CB-CG2 4.13Å; E38-V48 PolarHBondContact O-N 3.45Å; E38-Y70 HydrophobicContact CB-CE1 4.03Å; E38-Y70 WeakPolarHBondContact OE2-CE1 3.45Å; E38-Y70 PolarHBondContact OE2-OH 3.16Å; E38-F77 HydrophobicContact CB-CE2 4.44Å; E38-F77 HydrophobicContact CG-CD2 4.11Å; E38-F77 HydrophobicContact CG-CE2 4.05Å; E38-F77 WeakPolarHBondContact OE1-CD2 3.47Å; E38-F77 PolarHBondContact OE1-N 2.93Å
39M73.4Confident66Low31 Ų3176.8 Ų76.815%0.15339%0.385CS..EExtended strand (participates in β ladder)trans-89153.4171.2-64.3-66.1-172.900110V16 L19 L20 V36 P46V16-M39 HydrophobicContact CG2-CG 4.22Å; L19-M39 HydrophobicContact CD1-CG 4.2Å; L20-M39 HydrophobicContact CD2-CE 3.72Å; L20-M39 HydrophobicContact CG-CE 3.9Å; V36-M39 HydrophobicContact CG1-CE 4.08Å; V36-M39 HydrophobicContact CG1-SD 3.94Å; M39-P46 HydrophobicContact SD-CB 4.07Å
40S71.3Confident68.5Low44 Ų4468.7 Ų68.731%0.30835%0.353SS..  trans-59.6160170-170.80000111.2D42 G43 K45S40-D42 PolarHBondContact O-N 3.24Å; S40-D42 VanDerWaalsContact O-N 3.17Å; S40-G43 WeakPolarHBondContact O-CA 3.43Å; S40-G43 PolarHBondContact O-N 3.23Å; S40-K45 WeakPolarHBondContact CB-O 3.23Å; S40-K45 PolarHBondContact N-O 3.43Å
41E67.9Low71.1Confident136 Ų13666.2 Ų66.264%0.63633%0.333SS*.THydrogen-bonded Turntrans-57.5-32-179.7-56.8-155.6-179.600113.1G43 K78E41-G43 PolarHBondContact O-N 3.44Å; E41-K78 WeakPolarHBondContact OE1-CE 3.29Å; E41-K78 IonicContact OE1-NZ 2.78Å; E41-K78 WeakPolarHBondContact OE2-CE 3.49Å; E41-K78 IonicContact OE2-NZ 2.62Å; E41-K78 PolarHBondContact OE2-NZ 2.94Å
42D62.1Low73Confident121 Ų12167.1 Ų67.165%0.64734%0.336SS*.THydrogen-bonded Turntrans-71-8.8174.9-59.1-41.1000114.2S40 K44S40-D42 PolarHBondContact O-N 3.24Å; S40-D42 VanDerWaalsContact O-N 3.17Å; D42-K44 HydrophobicContact CB-CB 4.31Å; D42-K44 HydrophobicContact CB-CD 4.23Å; D42-K44 HydrophobicContact CB-CG 4.33Å; D42-K44 PolarHBondContact O-N 3.11Å
43G66.7Low74.8Confident25 Ų2561.9 Ų61.926%0.25832%0.321SS..SBendtrans68.4-11.5-170.700000115.5S40 E41S40-G43 WeakPolarHBondContact O-CA 3.43Å; S40-G43 PolarHBondContact O-N 3.23Å; E41-G43 PolarHBondContact O-N 3.44Å
44K65.5Low76.4Confident180 Ų18059.9 Ų59.978%0.78331%0.306SS*.SBendtrans-81.7-19.5-169.2-70.5169-172.3170.90116.1D42D42-K44 HydrophobicContact CB-CB 4.31Å; D42-K44 HydrophobicContact CB-CD 4.23Å; D42-K44 HydrophobicContact CB-CG 4.33Å; D42-K44 PolarHBondContact O-N 3.11Å
45K70.8Confident77.5Confident156 Ų15656.6 Ų56.668%0.67829%0.289SS*.SBendtrans-137.1141.7-176.6-67.3-176.2-178.7178.20110S40 A47S40-K45 WeakPolarHBondContact CB-O 3.23Å; S40-K45 PolarHBondContact N-O 3.43Å; K45-A47 PolarHBondContact O-N 3.42Å
46P73.2Confident77.7Confident63 Ų6360 Ų6041%0.40931%0.308SS..EExtended strand (participates in β ladder)trans-71.4124.5170.532.4-34.7000109.2V36 M39 V49V36-P46 HydrophobicContact CB-CB 4.36Å; V36-P46 HydrophobicContact CG1-CB 3.62Å; V36-P46 HydrophobicContact CG2-CB 3.77Å; M39-P46 HydrophobicContact SD-CB 4.07Å; P46-V49 HydrophobicContact CB-CG2 3.56Å; P46-V49 HydrophobicContact CG-CG2 3.84Å
47A78.3Confident77.9Confident26 Ų2663.2 Ų63.222%0.21533%0.33CS..EExtended strand (participates in β ladder)trans-92.5-26.3-177.100000112.4E38 K45 F77 N111E38-A47 PolarHBondContact O-N 3.49Å; K45-A47 PolarHBondContact O-N 3.42Å; A47-F77 HydrophobicContact CB-CE2 3.54Å; A47-F77 HydrophobicContact CB-CZ 4.02Å; A47-N111 PolarHBondContact O-ND2 3.02Å
48V82.8Confident78.2Confident1 Ų163.5 Ų63.51%0.00633%0.332CS..EExtended strand (participates in β ladder)trans-132.6116.9173.9-173.30000109.1L37 E38 Y70 F77 V107L37-V48 HydrophobicContact CB-CB 4.16Å; L37-V48 HydrophobicContact CB-CG1 3.95Å; L37-V48 HydrophobicContact CD1-CG1 3.97Å; L37-V48 HydrophobicContact CG-CG1 4.27Å; L37-V48 PolarHBondContact N-O 3.35Å; E38-V48 HydrophobicContact CB-CB 4.25Å; E38-V48 HydrophobicContact CB-CG2 4.13Å; E38-V48 PolarHBondContact O-N 3.45Å; V48-Y70 HydrophobicContact CG1-CE2 4.13Å; V48-Y70 HydrophobicContact CG2-CE2 4.32Å; V48-Y70 WeakPolarHBondContact CG2-OH 3.33Å; V48-F77 HydrophobicContact CG2-CE2 3.71Å; V48-F77 HydrophobicContact CG2-CZ 3.43Å; V48-F77 VanDerWaalsContact CG2-CZ 3.43Å; V48-V107 HydrophobicContact CG1-CG1 3.23Å
49V84.9Confident78.5Confident54 Ų5466.3 Ų66.333%0.32734%0.343SS..EExtended strand (participates in β ladder)trans-126136.5-180-174.50000109N34 V36 P46N34-V49 HydrophobicContact CB-CG1 4.34Å; V36-V49 HydrophobicContact CG2-CG2 4.35Å; P46-V49 HydrophobicContact CB-CG2 3.56Å; P46-V49 HydrophobicContact CG-CG2 3.84Å
50V85.3Confident79.2Confident1 Ų167.4 Ų67.41%0.00636%0.358CS..  trans-76.5129.8170.4-169.10000109.5F35 L37 E52 L54 M58 V66 A103 V107F35-V50 HydrophobicContact CB-CB 4.2Å; F35-V50 HydrophobicContact CB-CG2 4.34Å; F35-V50 HydrophobicContact CD1-CB 3.68Å; F35-V50 HydrophobicContact CD1-CG1 4.23Å; F35-V50 HydrophobicContact CD1-CG2 3.3Å; F35-V50 HydrophobicContact CE1-CB 4.33Å; F35-V50 HydrophobicContact CE1-CG2 3.53Å; F35-V50 HydrophobicContact CG-CB 4.18Å; F35-V50 HydrophobicContact CG-CG2 3.84Å; F35-V50 HydrophobicContact CZ-CG2 4.23Å; F35-V50 PolarHBondContact O-N 3.13Å; L37-V50 HydrophobicContact CD1-CG2 4.11Å; L37-V50 HydrophobicContact CD2-CG2 3.99Å; L37-V50 HydrophobicContact CG-CG2 3.92Å; V50-E52 PolarHBondContact O-N 2.89Å; V50-L54 HydrophobicContact CG1-CB 4.18Å; V50-M58 HydrophobicContact CG1-CE 3.88Å; V50-V66 HydrophobicContact CG2-CG1 4.32Å; V50-A103 HydrophobicContact CG1-CB 4.48Å; V50-V107 HydrophobicContact CB-CG2 4.06Å; V50-V107 HydrophobicContact CG1-CG2 3.93Å; V50-V107 HydrophobicContact CG2-CG2 3.97Å
51H85.5Confident80Confident68 Ų6865.6 Ų65.632%0.31535%0.345SS..  trans-49129179.3-175-40.1000111.1Q53 L54 A55 H106 K142H51-Q53 PolarHBondContact ND1-N 3.33Å; H51-Q53 PolarHBondContact O-N 3.38Å; H51-L54 HydrophobicContact CB-CD1 4.27Å; H51-L54 WeakPolarHBondContact O-CA 3.32Å; H51-L54 WeakPolarHBondContact O-CB 3.4Å; H51-L54 PolarHBondContact O-N 3.41Å; H51-A55 PolarHBondContact O-N 3.24Å; H51-H106 AromaticContact CD2-CE1 3.94Å; H51-K142 PolarHBondContact CE1-NZ 3.05Å; H51-K142 VanDerWaalsContact CE1-NZ 3.25Å; H51-K142 PolarHBondContact NE2-NZ 2.93Å
52E83.1Confident81.1Confident106 Ų10660 Ų6050%0.49532%0.318SS..Hα-helixtrans-46.8-51.7-171.6-175.6177.8-168.500114.3V50 L54 A55 N56V50-E52 PolarHBondContact O-N 2.89Å; E52-L54 VanDerWaalsContact C-N 3.29Å; E52-L54 PolarHBondContact O-N 3.46Å; E52-A55 WeakPolarHBondContact O-CB 3.47Å; E52-A55 PolarHBondContact O-N 2.99Å; E52-N56 WeakPolarHBondContact O-CB 3.35Å; E52-N56 VanDerWaalsContact O-CG 3.28Å; E52-N56 PolarHBondContact O-N 3.47Å
53Q83.1Confident82.5Confident121 Ų12157.8 Ų57.857%0.56530%0.301SS*.Hα-helixtrans-55.1-37.7176.4-70.1178-17.400114.2H51 C57H51-Q53 PolarHBondContact ND1-N 3.33Å; H51-Q53 PolarHBondContact O-N 3.38Å; Q53-C57 PolarHBondContact O-N 2.99Å; Q53-C57 PolarHBondContact O-SG 3.24Å; Q53-C57 VanDerWaalsContact O-SG 3.34Å
54L85.6Confident83.7Confident4 Ų463.5 Ų63.52%0.02132%0.315CS..Hα-helixtrans-74.3-40.4175.2-63.1170000110.8V50 H51 E52 N56 C57 M58 L99 A103 H106 W138 L139V50-L54 HydrophobicContact CG1-CB 4.18Å; H51-L54 HydrophobicContact CB-CD1 4.27Å; H51-L54 WeakPolarHBondContact O-CA 3.32Å; H51-L54 WeakPolarHBondContact O-CB 3.4Å; H51-L54 PolarHBondContact O-N 3.41Å; E52-L54 VanDerWaalsContact C-N 3.29Å; E52-L54 PolarHBondContact O-N 3.46Å; L54-N56 VanDerWaalsContact C-N 3.34Å; L54-N56 PolarHBondContact O-N 3.47Å; L54-C57 PolarHBondContact O-N 2.78Å; L54-M58 WeakPolarHBondContact O-CG 3.36Å; L54-M58 PolarHBondContact O-N 2.81Å; L54-L99 HydrophobicContact CD2-CD1 4.48Å; L54-A103 HydrophobicContact CD1-CB 4.38Å; L54-H106 HydrophobicContact CD1-CB 4.31Å; L54-W138 HydrophobicContact CD2-CB 4.13Å; L54-L139 HydrophobicContact CD1-CD2 3.87Å; L54-L139 HydrophobicContact CD2-CD2 4.25Å
55A85.5Confident85Confident0 Ų055 Ų550%028%0.277CS..Hα-helixtrans-60-43.817700000111.8F35 H51 E52 C57 M58 R63F35-A55 HydrophobicContact CB-CB 3.76Å; H51-A55 PolarHBondContact O-N 3.24Å; E52-A55 WeakPolarHBondContact O-CB 3.47Å; E52-A55 PolarHBondContact O-N 2.99Å; A55-C57 VanDerWaalsContact C-N 3.35Å; A55-C57 PolarHBondContact O-N 3.1Å; A55-M58 PolarHBondContact O-N 3.4Å; A55-R63 PolarHBondContact O-NE 3.24Å; A55-R63 PolarHBondContact O-NH2 2.99Å
56N84.8Confident86Confident95 Ų9547.5 Ų47.551%0.50825%0.245SC..Hα-helixtrans-65.4-34.5-179.1-70-12.2000112.8E52 L54E52-N56 WeakPolarHBondContact O-CB 3.35Å; E52-N56 VanDerWaalsContact O-CG 3.28Å; E52-N56 PolarHBondContact O-N 3.47Å; L54-N56 VanDerWaalsContact C-N 3.34Å; L54-N56 PolarHBondContact O-N 3.47Å
57C85.6Confident86.9Confident76 Ų7646 Ų4651%0.51423%0.233SC..Hα-helixtrans-79.4-13.3176.6-65.20000114.3Q53 L54 A55 W138Q53-C57 PolarHBondContact O-N 2.99Å; Q53-C57 PolarHBondContact O-SG 3.24Å; Q53-C57 VanDerWaalsContact O-SG 3.34Å; L54-C57 PolarHBondContact O-N 2.78Å; A55-C57 VanDerWaalsContact C-N 3.35Å; A55-C57 PolarHBondContact O-N 3.1Å; C57-W138 HydrophobicContact CB-CZ3 4.08Å
58M86.7Confident87.6Confident8 Ų845.9 Ų45.94%0.03923%0.227CC..  trans-90.6125-174.4-81.6-169.4-64.800114.1F35 V50 L54 A55 Q62 R63 V66 L99 A103F35-M58 HydrophobicContact CD1-CE 3.68Å; F35-M58 HydrophobicContact CE1-CE 3.73Å; V50-M58 HydrophobicContact CG1-CE 3.88Å; L54-M58 WeakPolarHBondContact O-CG 3.36Å; L54-M58 PolarHBondContact O-N 2.81Å; A55-M58 PolarHBondContact O-N 3.4Å; M58-Q62 HydrophobicContact CB-CB 4.14Å; M58-Q62 HydrophobicContact CG-CB 4.12Å; M58-Q62 HydrophobicContact SD-CB 4.3Å; M58-R63 HydrophobicContact CB-CG 3.93Å; M58-R63 PolarHBondContact O-NE 3.14Å; M58-V66 HydrophobicContact CE-CG2 4.36Å; M58-V66 HydrophobicContact SD-CG2 3.73Å; M58-L99 HydrophobicContact CG-CD2 3.94Å; M58-L99 HydrophobicContact CG-CG 4.14Å; M58-A103 HydrophobicContact CE-CB 4.24Å; M58-A103 HydrophobicContact SD-CB 4.08Å
59K86.4Confident88.1Confident76 Ų7645.9 Ų45.933%0.3323%0.227SC..  trans-65.5161.5170-67.2-163.2173.8-160.20111.8H61 Q62 R63 L310 E312K59-H61 VanDerWaalsContact C-N 3.35Å; K59-H61 PolarHBondContact O-N 2.89Å; K59-Q62 WeakPolarHBondContact O-CA 3.18Å; K59-Q62 WeakPolarHBondContact O-CB 3.23Å; K59-Q62 PolarHBondContact O-N 3.48Å; K59-R63 PolarHBondContact O-N 3.34Å; K59-L310 HydrophobicContact CD-CD2 4.36Å; K59-E312 IonicContact NZ-OE2 3.9Å; K59-E312 PolarHBondContact NZ-OE2 2.97Å
60A87.6Confident88.4Confident55 Ų5543.3 Ų43.346%0.45521%0.211SC..Hα-helixtrans-58.2-37.8-173.100000114.6R64A60-R64 WeakPolarHBondContact O-CG 3.25Å; A60-R64 PolarHBondContact O-N 2.88Å; A60-R64 VanDerWaalsContact O-N 3.17Å
61H88.5Confident88.6Confident6 Ų643.4 Ų43.43%0.02821%0.212CC..Hα-helixtrans-69.8-31.717569.2-66.3000112.7K59 R64 G65 L95 V305K59-H61 VanDerWaalsContact C-N 3.35Å; K59-H61 PolarHBondContact O-N 2.89Å; H61-R64 PolarHBondContact O-N 3.36Å; H61-G65 PolarHBondContact O-N 2.91Å; H61-L95 PolarHBondContact NE2-O 3.48Å; H61-V305 HydrophobicContact CB-CG1 4.21Å
62Q91.4Very high88.8Confident17 Ų1740.4 Ų40.48%0.07920%0.198CC..Hα-helixtrans-70-42.8176.8-64.8168.9-21.800111M58 K59 R64 G65 V66 L95 Q100M58-Q62 HydrophobicContact CB-CB 4.14Å; M58-Q62 HydrophobicContact CG-CB 4.12Å; M58-Q62 HydrophobicContact SD-CB 4.3Å; K59-Q62 WeakPolarHBondContact O-CA 3.18Å; K59-Q62 WeakPolarHBondContact O-CB 3.23Å; K59-Q62 PolarHBondContact O-N 3.48Å; Q62-R64 PolarHBondContact O-N 3.37Å; Q62-G65 WeakPolarHBondContact O-CA 3.4Å; Q62-G65 PolarHBondContact O-N 3.46Å; Q62-G65 VanDerWaalsContact O-N 3.08Å; Q62-V66 PolarHBondContact O-N 3.25Å; Q62-L95 PolarHBondContact NE2-O 3.4Å; Q62-Q100 HydrophobicContact CB-CG 3.82Å; Q62-Q100 HydrophobicContact CG-CG 4.03Å
63R91.5Very high89.1Confident75 Ų7535.4 Ų35.428%0.28318%0.175SC..Hα-helixtrans-58.2-47.9172.4-62.9-176.5-176.7-156.7-1.2111.2F35 A55 M58 K59 G65 V66 Q67F35-R63 HydrophobicContact CD1-CB 4.35Å; F35-R63 HydrophobicContact CD1-CG 4.07Å; F35-R63 HydrophobicContact CE1-CB 3.88Å; F35-R63 HydrophobicContact CE1-CG 4.01Å; F35-R63 HydrophobicContact CE2-CB 4.27Å; F35-R63 HydrophobicContact CZ-CB 3.86Å; F35-R63 HydrophobicContact CZ-CG 4.46Å; F35-R63 WeakPolarHBondContact CZ-O 3.42Å; A55-R63 PolarHBondContact O-NE 3.24Å; A55-R63 PolarHBondContact O-NH2 2.99Å; M58-R63 HydrophobicContact CB-CG 3.93Å; M58-R63 PolarHBondContact O-NE 3.14Å; K59-R63 PolarHBondContact O-N 3.34Å; R63-G65 PolarHBondContact O-N 3.43Å; R63-V66 PolarHBondContact O-N 2.93Å; R63-Q67 PolarHBondContact O-N 2.91Å; R63-Q67 VanDerWaalsContact O-N 3.11Å
64R90.7Very high89.2Confident146 Ų14629.9 Ų29.955%0.55115%0.149SC*.Hα-helixtrans-59.5-32.1173.6-73.3-172-71151.5-6.3113.3A60 H61 Q62 F68 Q303A60-R64 WeakPolarHBondContact O-CG 3.25Å; A60-R64 PolarHBondContact O-N 2.88Å; A60-R64 VanDerWaalsContact O-N 3.17Å; H61-R64 PolarHBondContact O-N 3.36Å; Q62-R64 PolarHBondContact O-N 3.37Å; R64-F68 VanDerWaalsContact O-CB 3.28Å; R64-F68 WeakPolarHBondContact O-CB 3.34Å; R64-F68 PolarHBondContact O-N 3.3Å; R64-F68 VanDerWaalsContact O-N 3.1Å; R64-Q303 PolarHBondContact O-NE2 3.41Å
65G93Very high89Confident0 Ų030.8 Ų30.80%015%0.154CC..Hα-helixtrans-68.8-46.9174.100000113.6H61 Q62 R63 Q67 F68 L69H61-G65 PolarHBondContact O-N 2.91Å; Q62-G65 WeakPolarHBondContact O-CA 3.4Å; Q62-G65 PolarHBondContact O-N 3.46Å; Q62-G65 VanDerWaalsContact O-N 3.08Å; R63-G65 PolarHBondContact O-N 3.43Å; G65-Q67 PolarHBondContact O-N 3.47Å; G65-F68 WeakPolarHBondContact O-CB 2.8Å; G65-F68 PolarHBondContact O-N 3.15Å; G65-F68 VanDerWaalsContact O-N 3.13Å; G65-L69 WeakPolarHBondContact O-CG 3Å; G65-L69 PolarHBondContact O-N 2.97Å
66V93.3Very high88.5Confident0 Ų031.9 Ų31.90%016%0.161CC..Hα-helixtrans-60.6-43.8176.7177.10000111.6F35 L37 V50 M58 Q62 R63 F68 L69 Y70 Q100 A103F35-V66 HydrophobicContact CE1-CB 3.96Å; F35-V66 HydrophobicContact CE1-CG1 4.12Å; F35-V66 HydrophobicContact CZ-CB 4.09Å; F35-V66 HydrophobicContact CZ-CG1 4.33Å; L37-V66 HydrophobicContact CD1-CG1 4.16Å; L37-V66 HydrophobicContact CD2-CG1 4.22Å; V50-V66 HydrophobicContact CG2-CG1 4.32Å; M58-V66 HydrophobicContact CE-CG2 4.36Å; M58-V66 HydrophobicContact SD-CG2 3.73Å; Q62-V66 PolarHBondContact O-N 3.25Å; R63-V66 PolarHBondContact O-N 2.93Å; V66-F68 VanDerWaalsContact C-N 3.34Å; V66-F68 PolarHBondContact O-N 2.9Å; V66-L69 PolarHBondContact O-N 2.68Å; V66-Y70 PolarHBondContact O-N 3.32Å; V66-Y70 VanDerWaalsContact O-N 3.11Å; V66-Q100 HydrophobicContact CG2-CB 4.1Å; V66-Q100 HydrophobicContact CG2-CG 4.49Å; V66-A103 HydrophobicContact CG2-CB 4.13Å
67Q91.4Very high88Confident31 Ų3129.2 Ų29.215%0.14515%0.145CC..Hα-helixtrans-58.6-46.6173.2-173.37354.300111.3L37 R63 G65 L69 Y70 D71L37-Q67 HydrophobicContact CD2-CB 4.41Å; L37-Q67 PolarHBondContact O-NE2 3.07Å; R63-Q67 PolarHBondContact O-N 2.91Å; R63-Q67 VanDerWaalsContact O-N 3.11Å; G65-Q67 PolarHBondContact O-N 3.47Å; Q67-L69 VanDerWaalsContact C-N 3.35Å; Q67-L69 PolarHBondContact O-N 3.03Å; Q67-Y70 PolarHBondContact O-N 3.2Å; Q67-D71 PolarHBondContact NE2-OD1 3.02Å; Q67-D71 WeakPolarHBondContact O-CB 3.39Å; Q67-D71 PolarHBondContact O-N 3.09Å; Q67-D71 VanDerWaalsContact O-OD1 3.14Å
68F92.7Very high87.3Confident24 Ų2433 Ų3311%0.10515%0.153CC..Hα-helixtrans-63.2-37179.7170-93.9000113.3R64 G65 V66 N72 C87 L89 F301 Q303R64-F68 VanDerWaalsContact O-CB 3.28Å; R64-F68 WeakPolarHBondContact O-CB 3.34Å; R64-F68 PolarHBondContact O-N 3.3Å; R64-F68 VanDerWaalsContact O-N 3.1Å; G65-F68 WeakPolarHBondContact O-CB 2.8Å; G65-F68 PolarHBondContact O-N 3.15Å; G65-F68 VanDerWaalsContact O-N 3.13Å; V66-F68 VanDerWaalsContact C-N 3.34Å; V66-F68 PolarHBondContact O-N 2.9Å; F68-N72 WeakPolarHBondContact CD2-ND2 3.26Å; F68-N72 WeakPolarHBondContact CE2-ND2 3.45Å; F68-N72 PolarHBondContact O-N 3.21Å; F68-N72 PolarHBondContact O-ND2 3.24Å; F68-C87 HydrophobicContact CE1-CB 3.74Å; F68-C87 HydrophobicContact CZ-CB 3.92Å; F68-L89 HydrophobicContact CD1-CD1 4.17Å; F68-L89 HydrophobicContact CE1-CD1 4.49Å; F68-F301 VanDerWaalsContact CZ-C 3.48Å; F68-F301 WeakPolarHBondContact CZ-O 3.47Å; F68-Q303 HydrophobicContact CD1-CB 3.65Å; F68-Q303 HydrophobicContact CD1-CG 4.47Å; F68-Q303 HydrophobicContact CD2-CB 3.91Å; F68-Q303 HydrophobicContact CD2-CG 4.5Å; F68-Q303 HydrophobicContact CE1-CB 3.45Å; F68-Q303 VanDerWaalsContact CE1-CB 3.45Å; F68-Q303 HydrophobicContact CE2-CB 3.71Å; F68-Q303 HydrophobicContact CG-CB 3.87Å; F68-Q303 HydrophobicContact CG-CG 4.38Å; F68-Q303 HydrophobicContact CZ-CB 3.46Å; F68-Q303 VanDerWaalsContact CZ-CB 3.46Å
69L93.5Very high86.6Confident0 Ų035.6 Ų35.60%016%0.164CC..Hα-helixtrans-61.2-51.3172.7-66.8179.4000110.5G65 V66 Q67 D71 N72 T73 L89 V101 Y104 I231G65-L69 WeakPolarHBondContact O-CG 3Å; G65-L69 PolarHBondContact O-N 2.97Å; V66-L69 PolarHBondContact O-N 2.68Å; Q67-L69 VanDerWaalsContact C-N 3.35Å; Q67-L69 PolarHBondContact O-N 3.03Å; L69-D71 PolarHBondContact O-N 2.93Å; L69-N72 PolarHBondContact O-N 3.37Å; L69-T73 PolarHBondContact O-N 2.99Å; L69-T73 PolarHBondContact O-OG1 2.87Å; L69-T73 VanDerWaalsContact O-OG1 3.11Å; L69-L89 HydrophobicContact CD2-CB 4.47Å; L69-L89 HydrophobicContact CD2-CD1 4.47Å; L69-V101 HydrophobicContact CD1-CG2 4.22Å; L69-Y104 HydrophobicContact CB-CD2 3.59Å; L69-Y104 HydrophobicContact CB-CE2 4.06Å; L69-Y104 HydrophobicContact CB-CG 3.98Å; L69-Y104 HydrophobicContact CD1-CD1 4.47Å; L69-Y104 HydrophobicContact CD1-CD2 4.46Å; L69-Y104 HydrophobicContact CD1-CG 3.99Å; L69-I231 HydrophobicContact CD2-CD1 4.24Å; L69-I231 HydrophobicContact CD2-CG1 4.42Å; L69-I231 HydrophobicContact CD2-CG2 3.69Å
70Y91.4Very high85.9Confident0 Ų033.6 Ų33.60%016%0.156CC..Hα-helixtrans-58.3-46.8179.6-175.4-96.8000112.9L37 E38 V48 V66 Q67 N72 T73 I74 V108 L114L37-Y70 HydrophobicContact CB-CD1 4.18Å; L37-Y70 HydrophobicContact CB-CE1 4.42Å; L37-Y70 HydrophobicContact CB-CG 4.39Å; L37-Y70 HydrophobicContact CD1-CD2 4.04Å; L37-Y70 HydrophobicContact CD1-CG 4Å; E38-Y70 HydrophobicContact CB-CE1 4.03Å; E38-Y70 WeakPolarHBondContact OE2-CE1 3.45Å; E38-Y70 PolarHBondContact OE2-OH 3.16Å; V48-Y70 HydrophobicContact CG1-CE2 4.13Å; V48-Y70 HydrophobicContact CG2-CE2 4.32Å; V48-Y70 WeakPolarHBondContact CG2-OH 3.33Å; V66-Y70 PolarHBondContact O-N 3.32Å; V66-Y70 VanDerWaalsContact O-N 3.11Å; Q67-Y70 PolarHBondContact O-N 3.2Å; Y70-N72 PolarHBondContact O-N 3.03Å; Y70-T73 PolarHBondContact O-N 3.23Å; Y70-I74 HydrophobicContact CD2-CD1 3.65Å; Y70-I74 HydrophobicContact CE2-CB 4.23Å; Y70-I74 HydrophobicContact CE2-CD1 3.44Å; Y70-I74 VanDerWaalsContact CE2-CD1 3.44Å; Y70-I74 HydrophobicContact CE2-CG1 4.43Å; Y70-I74 HydrophobicContact CE2-CG2 4.18Å; Y70-I74 PolarHBondContact O-N 2.79Å; Y70-V108 HydrophobicContact CD2-CG2 4.15Å; Y70-L114 HydrophobicContact CE2-CD1 4.04Å; Y70-L114 HydrophobicContact CE2-CD2 4.46Å
71D89.7Confident84.9Confident4 Ų439 Ų392%0.02118%0.178CC..Hα-helixtrans-63.7-25.2-179-70.76.4000113.4R5 I9 R12 Q13 Q67 L69R5-D71 PolarHBondContact NH1-O 3.4Å; I9-D71 HydrophobicContact CD1-CB 4.47Å; I9-D71 WeakPolarHBondContact CD1-O 3.36Å; I9-D71 HydrophobicContact CG2-CB 4.06Å; I9-D71 WeakPolarHBondContact CG2-OD2 3.23Å; R12-D71 IonicContact CZ-OD1 3.74Å; R12-D71 IonicContact NH1-OD1 3.24Å; R12-D71 IonicContact NH2-OD1 2.79Å; R12-D71 PolarHBondContact NH2-OD1 3.46Å; R12-D71 IonicContact NH2-OD2 2.64Å; R12-D71 PolarHBondContact NH2-OD2 3.47Å; Q13-D71 PolarHBondContact NE2-OD2 2.9Å; Q67-D71 PolarHBondContact NE2-OD1 3.02Å; Q67-D71 WeakPolarHBondContact O-CB 3.39Å; Q67-D71 PolarHBondContact O-N 3.09Å; Q67-D71 VanDerWaalsContact O-OD1 3.14Å; L69-D71 PolarHBondContact O-N 2.93Å
72N89.6Confident84.3Confident5 Ų541.1 Ų41.13%0.02719%0.193CC..Hα-helixtrans-93.4-34.8178.4-76.5-74.5000113.8R5 F68 L69 Y70 S85 C87 G300R5-N72 VanDerWaalsContact CZ-OD1 3.27Å; R5-N72 PolarHBondContact NH1-OD1 3.28Å; R5-N72 PolarHBondContact NH2-OD1 2.98Å; F68-N72 WeakPolarHBondContact CD2-ND2 3.26Å; F68-N72 WeakPolarHBondContact CE2-ND2 3.45Å; F68-N72 PolarHBondContact O-N 3.21Å; F68-N72 PolarHBondContact O-ND2 3.24Å; L69-N72 PolarHBondContact O-N 3.37Å; Y70-N72 PolarHBondContact O-N 3.03Å; N72-S85 CarbonylContact O-C 3.53Å; N72-S85 WeakPolarHBondContact O-CB 3.36Å; N72-C87 HydrophobicContact CB-CB 3.61Å; N72-G300 PolarHBondContact OD1-O 3.15Å
73T89.3Confident83.4Confident1 Ų143.4 Ų43.41%0.00622%0.215CC..Hα-helixtrans-87.4-31.3-17758.40000114.3L69 Y70 S85 Y104 R229 I231L69-T73 PolarHBondContact O-N 2.99Å; L69-T73 PolarHBondContact O-OG1 2.87Å; L69-T73 VanDerWaalsContact O-OG1 3.11Å; Y70-T73 PolarHBondContact O-N 3.23Å; T73-S85 WeakPolarHBondContact CA-O 3.41Å; T73-Y104 WeakPolarHBondContact CB-OH 3.38Å; T73-Y104 WeakPolarHBondContact OG1-CE2 3.34Å; T73-Y104 PolarHBondContact OG1-OH 3.34Å; T73-R229 WeakPolarHBondContact O-CD 3.33Å; T73-R229 PolarHBondContact O-NE 3.34Å; T73-I231 HydrophobicContact CG2-CD1 4.02Å; T73-I231 HydrophobicContact CG2-CG1 3.89Å
74I84.9Confident82.6Confident5 Ų540.6 Ų40.63%0.02621%0.209CC..THydrogen-bonded Turntrans-112.4-35.9-174.8-68.7162.4000112Y70 S76 I80 V108 L114Y70-I74 HydrophobicContact CD2-CD1 3.65Å; Y70-I74 HydrophobicContact CE2-CB 4.23Å; Y70-I74 HydrophobicContact CE2-CD1 3.44Å; Y70-I74 VanDerWaalsContact CE2-CD1 3.44Å; Y70-I74 HydrophobicContact CE2-CG1 4.43Å; Y70-I74 HydrophobicContact CE2-CG2 4.18Å; Y70-I74 PolarHBondContact O-N 2.79Å; I74-S76 PolarHBondContact O-N 2.86Å; I74-I80 HydrophobicContact CG2-CG1 4.36Å; I74-V108 HydrophobicContact CD1-CB 4.42Å; I74-V108 HydrophobicContact CD1-CG1 3.93Å; I74-V108 HydrophobicContact CD1-CG2 3.59Å; I74-L114 HydrophobicContact CD1-CD1 4.06Å; I74-L114 HydrophobicContact CD1-CD2 4.26Å; I74-L114 HydrophobicContact CG2-CD2 4.15Å
75E81.2Confident82.3Confident23 Ų2335 Ų3511%0.10719%0.193CC..  trans63-50.7-173.6-165.7-177.4164.500114.5R5 R8 I9 R12 K79R5-E75 HydrophobicContact CG-CG 4.38Å; R8-E75 IonicContact CZ-OE1 2.81Å; R8-E75 VanDerWaalsContact CZ-OE1 3.24Å; R8-E75 IonicContact NE-OE1 2.69Å; R8-E75 PolarHBondContact NE-OE1 2.85Å; R8-E75 IonicContact NH2-OE1 3.59Å; R8-E75 PolarHBondContact NH2-OE1 3.19Å; R8-E75 IonicContact NH2-OE2 3.62Å; I9-E75 HydrophobicContact CD1-CG 4.42Å; I9-E75 HydrophobicContact CG1-CG 4.23Å; R12-E75 PolarHBondContact NE-O 2.82Å; R12-E75 PolarHBondContact NH1-O 3.31Å; R12-E75 VanDerWaalsContact NH1-O 3.12Å; E75-K79 HydrophobicContact CB-CD 4.33Å; E75-K79 HydrophobicContact CG-CD 4.08Å; E75-K79 IonicContact OE1-NZ 3.4Å; E75-K79 PolarHBondContact OE1-NZ 3.35Å; E75-K79 VanDerWaalsContact OE2-CD 3.24Å; E75-K79 WeakPolarHBondContact OE2-CD 3.38Å; E75-K79 IonicContact OE2-NZ 2.68Å; E75-K79 PolarHBondContact OE2-NZ 2.75Å
76S75.8Confident82.3Confident22 Ų2235 Ų3515%0.15419%0.193CC..  trans-173.9166.7171.859.50000111.8I74 K78 K79 I80I74-S76 PolarHBondContact O-N 2.86Å; S76-K78 VanDerWaalsContact C-N 3.25Å; S76-K78 PolarHBondContact O-N 3.25Å; S76-K79 PolarHBondContact O-N 3.4Å; S76-I80 PolarHBondContact O-N 2.88Å
77F73.5Confident82.3Confident40 Ų4035 Ų3518%0.17519%0.193CC..G310 helixtrans-52.2-42.6172.7-76.6-75.2000113E38 A47 V48 K79 I80 L113 L114E38-F77 HydrophobicContact CB-CE2 4.44Å; E38-F77 HydrophobicContact CG-CD2 4.11Å; E38-F77 HydrophobicContact CG-CE2 4.05Å; E38-F77 WeakPolarHBondContact OE1-CD2 3.47Å; E38-F77 PolarHBondContact OE1-N 2.93Å; A47-F77 HydrophobicContact CB-CE2 3.54Å; A47-F77 HydrophobicContact CB-CZ 4.02Å; V48-F77 HydrophobicContact CG2-CE2 3.71Å; V48-F77 HydrophobicContact CG2-CZ 3.43Å; V48-F77 VanDerWaalsContact CG2-CZ 3.43Å; F77-K79 PolarHBondContact O-N 3.06Å; F77-I80 HydrophobicContact CB-CD1 4.35Å; F77-I80 HydrophobicContact CD1-CD1 3.66Å; F77-I80 HydrophobicContact CE1-CD1 4.43Å; F77-I80 HydrophobicContact CG-CD1 4.41Å; F77-I80 WeakPolarHBondContact O-CD1 3.49Å; F77-I80 WeakPolarHBondContact O-CG1 3.46Å; F77-I80 PolarHBondContact O-N 3.34Å; F77-L113 HydrophobicContact CD1-CB 4.25Å; F77-L113 HydrophobicContact CE1-CB 3.58Å; F77-L113 HydrophobicContact CE1-CD1 4.12Å; F77-L113 HydrophobicContact CZ-CB 4.46Å; F77-L113 HydrophobicContact CZ-CD1 4.36Å; F77-L114 HydrophobicContact CD1-CD2 3.97Å; F77-L114 HydrophobicContact CE1-CD2 3.47Å; F77-L114 VanDerWaalsContact CE1-CD2 3.47Å; F77-L114 HydrophobicContact CE1-CG 4.16Å; F77-L114 HydrophobicContact CZ-CD2 4.03Å
78K70.4Confident82.5Confident156 Ų15633.6 Ų33.668%0.67819%0.186SC*.G310 helixtrans-59.9-12.8178.6-61.5-171.4177.4-172.60114.1E41 S76E41-K78 WeakPolarHBondContact OE1-CE 3.29Å; E41-K78 IonicContact OE1-NZ 2.78Å; E41-K78 WeakPolarHBondContact OE2-CE 3.49Å; E41-K78 IonicContact OE2-NZ 2.62Å; E41-K78 PolarHBondContact OE2-NZ 2.94Å; S76-K78 VanDerWaalsContact C-N 3.25Å; S76-K78 PolarHBondContact O-N 3.25Å
79K73.3Confident82.6Confident61 Ų6132.4 Ų32.427%0.26518%0.181SC..G310 helixtrans-123.813.4-174.9-78-172.7162.4-163.90115E75 S76 F77 N81 S82E75-K79 HydrophobicContact CB-CD 4.33Å; E75-K79 HydrophobicContact CG-CD 4.08Å; E75-K79 IonicContact OE1-NZ 3.4Å; E75-K79 PolarHBondContact OE1-NZ 3.35Å; E75-K79 VanDerWaalsContact OE2-CD 3.24Å; E75-K79 WeakPolarHBondContact OE2-CD 3.38Å; E75-K79 IonicContact OE2-NZ 2.68Å; E75-K79 PolarHBondContact OE2-NZ 2.75Å; S76-K79 PolarHBondContact O-N 3.4Å; F77-K79 PolarHBondContact O-N 3.06Å; K79-N81 PolarHBondContact O-N 3.49Å; K79-S82 WeakPolarHBondContact O-CB 3.46Å; K79-S82 PolarHBondContact O-N 3.03Å; K79-S82 PolarHBondContact O-OG 3.24Å
80I70.5Confident82.6Confident35 Ų3532.4 Ų32.418%0.17918%0.181CC..THydrogen-bonded Turntrans-55.1-37.8172.4-66.9163.8000111.6I74 S76 F77 S82 L113 L114 R229I74-I80 HydrophobicContact CG2-CG1 4.36Å; S76-I80 PolarHBondContact O-N 2.88Å; F77-I80 HydrophobicContact CB-CD1 4.35Å; F77-I80 HydrophobicContact CD1-CD1 3.66Å; F77-I80 HydrophobicContact CE1-CD1 4.43Å; F77-I80 HydrophobicContact CG-CD1 4.41Å; F77-I80 WeakPolarHBondContact O-CD1 3.49Å; F77-I80 WeakPolarHBondContact O-CG1 3.46Å; F77-I80 PolarHBondContact O-N 3.34Å; I80-S82 VanDerWaalsContact C-N 3.26Å; I80-S82 PolarHBondContact O-N 3.29Å; I80-L113 VanDerWaalsContact CD1-O 3.3Å; I80-L113 WeakPolarHBondContact CD1-O 3.47Å; I80-L114 HydrophobicContact CD1-CD2 3.99Å; I80-L114 HydrophobicContact CG1-CD2 4.47Å; I80-R229 PolarHBondContact O-NH2 2.84Å
81N66.9Low82.7Confident168 Ų16832.4 Ų32.490%0.89818%0.181SC*.THydrogen-bonded Turntrans-77.8-3.5177.5-65.6-14.7000114.3K79K79-N81 PolarHBondContact O-N 3.49Å
82S75.9Confident82.6Confident51 Ų5132.6 Ų32.636%0.35718%0.183SC..SBendtrans-69.4160.4168.477.30000110.2K79 I80 G84K79-S82 WeakPolarHBondContact O-CB 3.46Å; K79-S82 PolarHBondContact O-N 3.03Å; K79-S82 PolarHBondContact O-OG 3.24Å; I80-S82 VanDerWaalsContact C-N 3.26Å; I80-S82 PolarHBondContact O-N 3.29Å; S82-G84 PolarHBondContact O-N 2.61Å; S82-G84 PolarHBondContact OG-N 2.79Å
83A72.3Confident82.3Confident64 Ų6432.9 Ų32.953%0.52918%0.184SC..  trans-62.1-4.1178.600000114.6K228A83-K228 HydrophobicContact CB-CD 3.87Å; A83-K228 WeakPolarHBondContact O-CB 3.44Å
84G74.9Confident81.8Confident16 Ų1634.3 Ų34.317%0.16520%0.199CC..  trans75.5171.5-174.900000113.2S82S82-G84 PolarHBondContact O-N 2.61Å; S82-G84 PolarHBondContact OG-N 2.79Å
85S85.6Confident81.8Confident30 Ų3034.4 Ų34.421%0.2120%0.199CC..  trans-135.1165.7170.2-1370000110.6N72 T73 K228 R229 K253N72-S85 CarbonylContact O-C 3.53Å; N72-S85 WeakPolarHBondContact O-CB 3.36Å; T73-S85 WeakPolarHBondContact CA-O 3.41Å; S85-K228 CarbonylContact C-O 3.6Å; S85-R229 WeakPolarHBondContact O-CA 3.28Å; S85-K253 VanDerWaalsContact OG-CE 3.29Å; S85-K253 WeakPolarHBondContact OG-CE 3.4Å
86G91.4Very high82Confident0 Ų034.5 Ų34.50%021%0.206CC..  trans-108.7169.9176.500000113K228 R230 K253G86-K228 PolarHBondContact N-O 3.02Å; G86-R230 CarbonylContact C-O 3.57Å; G86-R230 WeakPolarHBondContact CA-O 3.29Å; G86-K253 WeakPolarHBondContact O-CE 3.39Å
87C94.6Very high82.8Confident0 Ų034.4 Ų34.40%020%0.203CC..EExtended strand (participates in β ladder)trans-144.9165172.557.30000112.6F68 N72 R230 I231 C232 V252 F301F68-C87 HydrophobicContact CE1-CB 3.74Å; F68-C87 HydrophobicContact CZ-CB 3.92Å; N72-C87 HydrophobicContact CB-CB 3.61Å; C87-R230 PolarHBondContact N-O 3.48Å; C87-I231 WeakPolarHBondContact O-CA 3.5Å; C87-C232 PolarHBondContact O-N 3.13Å; C87-V252 VanDerWaalsContact N-CG1 3.26Å; C87-F301 CarbonylContact C-O 3.5Å; C87-F301 VanDerWaalsContact CA-O 3.23Å; C87-F301 WeakPolarHBondContact CA-O 3.49Å; C87-F301 WeakPolarHBondContact CB-O 3.25Å
88I95.3Very high83.7Confident0 Ų033.9 Ų33.90%021%0.205CC..EExtended strand (participates in β ladder)trans-116.9116174.2-52.8178.2000108.1A90 C232 T234 M248 V249 V252 F301 V302 Q303I88-A90 HydrophobicContact CG2-CB 4.41Å; I88-A90 PolarHBondContact O-N 3.06Å; I88-C232 CarbonylContact C-O 3.51Å; I88-C232 WeakPolarHBondContact CA-O 3.37Å; I88-C232 HydrophobicContact CG1-CB 4.15Å; I88-C232 HydrophobicContact CG2-CB 4.35Å; I88-T234 HydrophobicContact CG2-CG2 4.31Å; I88-M248 HydrophobicContact CD1-CE 4.13Å; I88-M248 HydrophobicContact CD1-CG 3.84Å; I88-M248 HydrophobicContact CD1-SD 4.2Å; I88-M248 HydrophobicContact CG1-CG 4.43Å; I88-M248 HydrophobicContact CG2-CE 4.16Å; I88-M248 HydrophobicContact CG2-SD 3.99Å; I88-V249 HydrophobicContact CD1-CG2 3.88Å; I88-V252 HydrophobicContact CD1-CG2 4.47Å; I88-V252 HydrophobicContact CG1-CB 4.44Å; I88-V252 HydrophobicContact CG1-CG1 4.38Å; I88-V252 HydrophobicContact CG1-CG2 3.97Å; I88-F301 HydrophobicContact CD1-CE2 4.4Å; I88-F301 PolarHBondContact N-O 3.47Å; I88-V302 HydrophobicContact CB-CB 4.46Å; I88-V302 HydrophobicContact CB-CG1 4.24Å; I88-V302 HydrophobicContact CB-CG2 4.12Å; I88-V302 HydrophobicContact CD1-CG2 4Å; I88-V302 HydrophobicContact CG1-CG2 4.32Å; I88-V302 HydrophobicContact CG2-CG1 4.42Å; I88-V302 WeakPolarHBondContact O-CA 3.17Å; I88-Q303 PolarHBondContact O-N 3.49Å
89L95.6Very high84.7Confident0 Ų026.9 Ų26.90%017%0.174CC..EExtended strand (participates in β ladder)trans-93.890.2173.2-166.176.7000108.8F68 L69 H91 K97 C232 L233 T234F68-L89 HydrophobicContact CD1-CD1 4.17Å; F68-L89 HydrophobicContact CE1-CD1 4.49Å; L69-L89 HydrophobicContact CD2-CB 4.47Å; L69-L89 HydrophobicContact CD2-CD1 4.47Å; L89-H91 VanDerWaalsContact C-N 3.29Å; L89-H91 WeakPolarHBondContact CD1-NE2 3.48Å; L89-H91 PolarHBondContact O-N 3.35Å; L89-K97 HydrophobicContact CD2-CB 4.21Å; L89-K97 HydrophobicContact CD2-CD 4.25Å; L89-K97 HydrophobicContact CD2-CG 3.96Å; L89-K97 HydrophobicContact CG-CD 4.49Å; L89-C232 PolarHBondContact N-O 3.19Å; L89-L233 HydrophobicContact CB-CD2 3.89Å; L89-L233 HydrophobicContact CD2-CD2 3.96Å; L89-T234 PolarHBondContact O-N 3.3Å
90A93.6Very high85.7Confident0 Ų024 Ų240%016%0.162CC..EExtended strand (participates in β ladder)trans-91.426.3-175.300000113.4I88 T234 P237 V302 Q303 R304I88-A90 HydrophobicContact CG2-CB 4.41Å; I88-A90 PolarHBondContact O-N 3.06Å; A90-T234 CarbonylContact C-O 3.6Å; A90-T234 WeakPolarHBondContact CA-O 3.43Å; A90-T234 HydrophobicContact CB-CG2 4.35Å; A90-P237 HydrophobicContact CB-CB 4.31Å; A90-P237 HydrophobicContact CB-CG 4.05Å; A90-V302 HydrophobicContact CB-CG1 4.21Å; A90-Q303 WeakPolarHBondContact CA-O 3.22Å; A90-Q303 PolarHBondContact N-O 3.14Å; A90-R304 WeakPolarHBondContact O-CD 3.38Å; A90-R304 PolarHBondContact O-NH1 2.87Å; A90-R304 VanDerWaalsContact O-NH1 3.16Å
91H92Very high86.9Confident0 Ų022.3 Ų22.30%015%0.153CC..EExtended strand (participates in β ladder)trans-59.4139.1176.2-72.9-157.8000110.3L89 L95 K97 Q100 Q303 V305L89-H91 VanDerWaalsContact C-N 3.29Å; L89-H91 WeakPolarHBondContact CD1-NE2 3.48Å; L89-H91 PolarHBondContact O-N 3.35Å; H91-L95 HydrophobicContact CB-CB 4.44Å; H91-L95 HydrophobicContact CB-CD1 4.22Å; H91-K97 HydrophobicContact CB-CD 4.11Å; H91-K97 HydrophobicContact CB-CG 3.87Å; H91-K97 PolarHBondContact O-NZ 2.8Å; H91-Q100 PolarHBondContact CE1-NE2 3.34Å; H91-Q100 PolarHBondContact CE1-OE1 3.42Å; H91-Q100 PolarHBondContact ND1-NE2 3.24Å; H91-Q303 PolarHBondContact NE2-OE1 3.05Å; H91-V305 HydrophobicContact CB-CB 4.41Å; H91-V305 WeakPolarHBondContact NE2-CG2 3.1Å
92S87Confident88.1Confident8 Ų814.3 Ų14.36%0.05611%0.11CC..PPolyproline II helixtrans-58.1162.2-179.3-58.50000113.7G94 L95 V305 Y307S92-G94 PolarHBondContact O-N 3.15Å; S92-L95 PolarHBondContact O-N 3.07Å; S92-V305 WeakPolarHBondContact CB-O 3.45Å; S92-V305 PolarHBondContact N-O 3.08Å; S92-V305 PolarHBondContact OG-O 2.91Å; S92-Y307 VanDerWaalsContact CB-CZ 3.48Å
93M83.9Confident88.9Confident11 Ų1111.9 Ų11.95%0.0549%0.093CC..THydrogen-bonded Turntrans-66.2134.5-173.4-65-172.765.400111.7Y307 Q619 F622M93-Y307 WeakPolarHBondContact CA-OH 3.5Å; M93-Y307 PolarHBondContact N-OH 3.18Å; M93-Y307 WeakPolarHBondContact O-CE1 3.36Å; M93-Y307 PolarHBondContact O-OH 3.46Å; M93-Q619 HydrophobicContact CE-CB 3.9Å; M93-Q619 HydrophobicContact CE-CG 3.67Å; M93-Q619 HydrophobicContact SD-CB 4.09Å; M93-Q619 HydrophobicContact SD-CG 3.54Å; M93-Q619 VanDerWaalsContact SD-CG 3.54Å; M93-F622 HydrophobicContact CB-CB 4Å; M93-F622 HydrophobicContact CB-CD2 4.09Å; M93-F622 HydrophobicContact CB-CG 4.19Å; M93-F622 HydrophobicContact CG-CD2 4.45Å; M93-F622 HydrophobicContact SD-CB 4.46Å; M93-F622 HydrophobicContact SD-CD2 4.15Å
94G78.9Confident89.9Confident31 Ų318.8 Ų8.832%0.327%0.068SC..THydrogen-bonded Turntrans89.6-13.4-179.200000115.6S92 G96S92-G94 PolarHBondContact O-N 3.15Å; G94-G96 PolarHBondContact O-N 3.23Å
95L84.6Confident90.8Very high6 Ų68 Ų83%0.0316%0.06CC..SBendtrans-68.22.2179.9-65.7-174.9000115.8H61 Q62 H91 S92 V305 Y307 L310H61-L95 PolarHBondContact NE2-O 3.48Å; Q62-L95 PolarHBondContact NE2-O 3.4Å; H91-L95 HydrophobicContact CB-CB 4.44Å; H91-L95 HydrophobicContact CB-CD1 4.22Å; S92-L95 PolarHBondContact O-N 3.07Å; L95-V305 HydrophobicContact CD1-CB 4.22Å; L95-V305 HydrophobicContact CD1-CG1 3.82Å; L95-V305 WeakPolarHBondContact CD1-O 3.38Å; L95-Y307 HydrophobicContact CD2-CD1 4.26Å; L95-L310 HydrophobicContact CD2-CD1 3.81Å; L95-L310 HydrophobicContact CD2-CD2 3.93Å; L95-L310 HydrophobicContact CD2-CG 3.96Å
96G86.4Confident91Very high25 Ų257.3 Ų7.326%0.2585%0.054SC..  trans82.840.917600000115.2G94 S98 L99 Q100G94-G96 PolarHBondContact O-N 3.23Å; G96-S98 VanDerWaalsContact C-N 3.26Å; G96-S98 PolarHBondContact O-N 2.94Å; G96-L99 PolarHBondContact O-N 3.11Å; G96-Q100 PolarHBondContact O-N 2.75Å
97K92.1Very high90.9Very high20 Ų207.6 Ų7.69%0.0876%0.055CC..Hα-helixtrans-54.5-39.7175-71-167.3-71.3-83.10113L89 H91 Q100 V101 L233 T234L89-K97 HydrophobicContact CD2-CB 4.21Å; L89-K97 HydrophobicContact CD2-CD 4.25Å; L89-K97 HydrophobicContact CD2-CG 3.96Å; L89-K97 HydrophobicContact CG-CD 4.49Å; H91-K97 HydrophobicContact CB-CD 4.11Å; H91-K97 HydrophobicContact CB-CG 3.87Å; H91-K97 PolarHBondContact O-NZ 2.8Å; K97-Q100 WeakPolarHBondContact O-CB 3.22Å; K97-Q100 PolarHBondContact O-N 3.48Å; K97-V101 WeakPolarHBondContact O-CG2 3.47Å; K97-V101 PolarHBondContact O-N 2.81Å; K97-V101 VanDerWaalsContact O-N 3.1Å; K97-L233 HydrophobicContact CD-CB 4.32Å; K97-T234 WeakPolarHBondContact CE-O 3.24Å; K97-T234 PolarHBondContact NZ-O 2.94Å
98S92Very high90.7Very high30 Ų307.7 Ų7.721%0.216%0.056CC..Hα-helixtrans-61-46.8179.7-48.70000112.1G96 Q100 V101 V102G96-S98 VanDerWaalsContact C-N 3.26Å; G96-S98 PolarHBondContact O-N 2.94Å; S98-Q100 VanDerWaalsContact C-N 3.33Å; S98-Q100 PolarHBondContact O-N 2.88Å; S98-V101 PolarHBondContact O-N 2.87Å; S98-V101 VanDerWaalsContact O-N 3.16Å; S98-V102 VanDerWaalsContact O-CG2 3.29Å; S98-V102 WeakPolarHBondContact O-CG2 3.27Å; S98-V102 PolarHBondContact O-N 3.44Å
99L91.9Very high90.3Very high8 Ų89.1 Ų9.14%0.0426%0.063CC..Hα-helixtrans-57.3-43.7174.9172.258.8000112.1L54 M58 G96 V101 V102 A103 W138L54-L99 HydrophobicContact CD2-CD1 4.48Å; M58-L99 HydrophobicContact CG-CD2 3.94Å; M58-L99 HydrophobicContact CG-CG 4.14Å; G96-L99 PolarHBondContact O-N 3.11Å; L99-V101 VanDerWaalsContact C-N 3.31Å; L99-V101 PolarHBondContact O-N 3.12Å; L99-V102 PolarHBondContact O-N 2.82Å; L99-A103 WeakPolarHBondContact O-CB 3.44Å; L99-A103 PolarHBondContact O-N 2.95Å; L99-W138 HydrophobicContact CD1-CD2 3.69Å; L99-W138 HydrophobicContact CD1-CE3 4.01Å; L99-W138 HydrophobicContact CD1-CG 3.93Å; L99-W138 HydrophobicContact CD1-CZ2 4.38Å; L99-W138 HydrophobicContact CD1-CZ3 4.48Å; L99-W138 HydrophobicContact CD2-CH2 4.3Å; L99-W138 HydrophobicContact CD2-CZ2 4.21Å
100Q94.4Very high89.9Confident0 Ų013 Ų130%09%0.087CC..Hα-helixtrans-60.8-41.8177.6-61.9172.64300111.6Q62 V66 H91 G96 K97 S98 Y104Q62-Q100 HydrophobicContact CB-CG 3.82Å; Q62-Q100 HydrophobicContact CG-CG 4.03Å; V66-Q100 HydrophobicContact CG2-CB 4.1Å; V66-Q100 HydrophobicContact CG2-CG 4.49Å; H91-Q100 PolarHBondContact CE1-NE2 3.34Å; H91-Q100 PolarHBondContact CE1-OE1 3.42Å; H91-Q100 PolarHBondContact ND1-NE2 3.24Å; G96-Q100 PolarHBondContact O-N 2.75Å; K97-Q100 WeakPolarHBondContact O-CB 3.22Å; K97-Q100 PolarHBondContact O-N 3.48Å; S98-Q100 VanDerWaalsContact C-N 3.33Å; S98-Q100 PolarHBondContact O-N 2.88Å; Q100-Y104 VanDerWaalsContact O-CB 3.26Å; Q100-Y104 WeakPolarHBondContact O-CB 3.45Å; Q100-Y104 PolarHBondContact O-N 2.98Å
101V95Very high89.4Confident0 Ų014.7 Ų14.70%010%0.096CC..Hα-helixtrans-69.7-41.8177.9171.60000111.9L69 K97 S98 L99 Y104 L105 W131 I204 L233L69-V101 HydrophobicContact CD1-CG2 4.22Å; K97-V101 WeakPolarHBondContact O-CG2 3.47Å; K97-V101 PolarHBondContact O-N 2.81Å; K97-V101 VanDerWaalsContact O-N 3.1Å; S98-V101 PolarHBondContact O-N 2.87Å; S98-V101 VanDerWaalsContact O-N 3.16Å; L99-V101 VanDerWaalsContact C-N 3.31Å; L99-V101 PolarHBondContact O-N 3.12Å; V101-Y104 PolarHBondContact O-N 2.73Å; V101-L105 HydrophobicContact CG1-CD1 4.13Å; V101-L105 HydrophobicContact CG1-CG 4.43Å; V101-L105 WeakPolarHBondContact O-CB 3.1Å; V101-L105 WeakPolarHBondContact O-CG 3.47Å; V101-L105 PolarHBondContact O-N 2.67Å; V101-W131 HydrophobicContact CB-CH2 4.06Å; V101-W131 HydrophobicContact CB-CZ3 4.28Å; V101-W131 HydrophobicContact CG1-CH2 3.95Å; V101-W131 HydrophobicContact CG1-CZ3 4.01Å; V101-W131 HydrophobicContact CG2-CH2 4.45Å; V101-I204 HydrophobicContact CG1-CD1 3.6Å; V101-I204 HydrophobicContact CG1-CG1 4.26Å; V101-I204 HydrophobicContact CG1-CG2 4.25Å; V101-L233 HydrophobicContact CG2-CD1 3.82Å; V101-L233 HydrophobicContact CG2-CD2 3.63Å; V101-L233 HydrophobicContact CG2-CG 4.35Å
102V93.2Very high88.8Confident0 Ų023.5 Ų23.50%014%0.137CC..Hα-helixtrans-63.5-43.9176.8172.60000110.7S98 L99 L105 H106 W131 F135 W138 L139S98-V102 VanDerWaalsContact O-CG2 3.29Å; S98-V102 WeakPolarHBondContact O-CG2 3.27Å; S98-V102 PolarHBondContact O-N 3.44Å; L99-V102 PolarHBondContact O-N 2.82Å; V102-L105 PolarHBondContact O-N 3.17Å; V102-H106 WeakPolarHBondContact O-CB 3.36Å; V102-H106 PolarHBondContact O-N 3.05Å; V102-W131 HydrophobicContact CG2-CZ3 4.48Å; V102-F135 HydrophobicContact CB-CE1 4.5Å; V102-F135 HydrophobicContact CG1-CD1 4.23Å; V102-F135 HydrophobicContact CG1-CE1 4.23Å; V102-F135 HydrophobicContact CG2-CD1 4.2Å; V102-F135 HydrophobicContact CG2-CD2 4.39Å; V102-F135 HydrophobicContact CG2-CE1 3.95Å; V102-F135 HydrophobicContact CG2-CE2 4.14Å; V102-F135 HydrophobicContact CG2-CG 4.4Å; V102-F135 HydrophobicContact CG2-CZ 3.9Å; V102-W138 HydrophobicContact CG1-CB 4.03Å; V102-L139 HydrophobicContact CG1-CD1 3.55Å; V102-L139 HydrophobicContact CG1-CD2 4.31Å; V102-L139 HydrophobicContact CG1-CG 3.6Å
103A92.2Very high88.5Confident0 Ų028.7 Ų28.70%016%0.163CC..Hα-helixtrans-64.8-43.3175.300000112.4V50 L54 M58 V66 L99 V107V50-A103 HydrophobicContact CG1-CB 4.48Å; L54-A103 HydrophobicContact CD1-CB 4.38Å; M58-A103 HydrophobicContact CE-CB 4.24Å; M58-A103 HydrophobicContact SD-CB 4.08Å; V66-A103 HydrophobicContact CG2-CB 4.13Å; L99-A103 WeakPolarHBondContact O-CB 3.44Å; L99-A103 PolarHBondContact O-N 2.95Å; A103-V107 VanDerWaalsContact O-CG2 3.24Å; A103-V107 WeakPolarHBondContact O-CG2 3.24Å; A103-V107 PolarHBondContact O-N 3.03Å; A103-V107 VanDerWaalsContact O-N 3.1Å
104Y93.6Very high88.4Confident0 Ų028.3 Ų28.30%016%0.162CC..Hα-helixtrans-58.8-49173.3162.5-92.5000111.9L69 T73 Q100 V101 V107 V108 V202 I231L69-Y104 HydrophobicContact CB-CD2 3.59Å; L69-Y104 HydrophobicContact CB-CE2 4.06Å; L69-Y104 HydrophobicContact CB-CG 3.98Å; L69-Y104 HydrophobicContact CD1-CD1 4.47Å; L69-Y104 HydrophobicContact CD1-CD2 4.46Å; L69-Y104 HydrophobicContact CD1-CG 3.99Å; T73-Y104 WeakPolarHBondContact CB-OH 3.38Å; T73-Y104 WeakPolarHBondContact OG1-CE2 3.34Å; T73-Y104 PolarHBondContact OG1-OH 3.34Å; Q100-Y104 VanDerWaalsContact O-CB 3.26Å; Q100-Y104 WeakPolarHBondContact O-CB 3.45Å; Q100-Y104 PolarHBondContact O-N 2.98Å; V101-Y104 PolarHBondContact O-N 2.73Å; Y104-V107 PolarHBondContact O-N 3.48Å; Y104-V108 HydrophobicContact CD2-CG2 3.96Å; Y104-V108 HydrophobicContact CE2-CG2 3.61Å; Y104-V108 WeakPolarHBondContact O-CB 3.45Å; Y104-V108 WeakPolarHBondContact O-CG2 3.34Å; Y104-V108 PolarHBondContact O-N 2.65Å; Y104-V202 HydrophobicContact CE1-CG1 4.33Å; Y104-I231 HydrophobicContact CD1-CD1 4.04Å; Y104-I231 HydrophobicContact CE1-CD1 3.55Å
105L92.9Very high88.5Confident0 Ų029 Ų290%017%0.168CC..Hα-helixtrans-63.9-44.7-179.6-77.1176.8000112.1V101 V102 V107 V108 M109 A119 I121 F135 V167 I204V101-L105 HydrophobicContact CG1-CD1 4.13Å; V101-L105 HydrophobicContact CG1-CG 4.43Å; V101-L105 WeakPolarHBondContact O-CB 3.1Å; V101-L105 WeakPolarHBondContact O-CG 3.47Å; V101-L105 PolarHBondContact O-N 2.67Å; V102-L105 PolarHBondContact O-N 3.17Å; L105-V107 VanDerWaalsContact C-N 3.33Å; L105-V107 PolarHBondContact O-N 3.25Å; L105-V108 PolarHBondContact O-N 2.87Å; L105-M109 HydrophobicContact CB-SD 4.43Å; L105-M109 HydrophobicContact CD2-SD 4.22Å; L105-M109 VanDerWaalsContact O-CB 3.25Å; L105-M109 WeakPolarHBondContact O-CB 3.43Å; L105-M109 VanDerWaalsContact O-CG 3.23Å; L105-M109 WeakPolarHBondContact O-CG 3.39Å; L105-M109 PolarHBondContact O-N 3.1Å; L105-A119 HydrophobicContact CD1-CB 4.35Å; L105-A119 HydrophobicContact CD2-CB 3.58Å; L105-I121 HydrophobicContact CD1-CD1 4.01Å; L105-F135 HydrophobicContact CD1-CE1 4.47Å; L105-F135 HydrophobicContact CD1-CZ 3.92Å; L105-V167 HydrophobicContact CD1-CG1 4.46Å; L105-V167 HydrophobicContact CD1-CG2 4.26Å; L105-I204 HydrophobicContact CD1-CD1 3.69Å; L105-I204 HydrophobicContact CD2-CD1 3.94Å; L105-I204 HydrophobicContact CG-CD1 3.99Å
106H91Very high88.6Confident15 Ų1529 Ų297%0.06917%0.169CC..Hα-helixtrans-54.1-50.8174.3176-77.1000111H51 L54 V102 V108 M109 T110 L139H51-H106 AromaticContact CD2-CE1 3.94Å; L54-H106 HydrophobicContact CD1-CB 4.31Å; V102-H106 WeakPolarHBondContact O-CB 3.36Å; V102-H106 PolarHBondContact O-N 3.05Å; H106-V108 VanDerWaalsContact C-N 3.35Å; H106-V108 PolarHBondContact O-N 2.84Å; H106-M109 PolarHBondContact O-N 3Å; H106-T110 WeakPolarHBondContact O-CB 3.43Å; H106-T110 PolarHBondContact O-N 3.36Å; H106-T110 PolarHBondContact O-OG1 3.23Å; H106-L139 HydrophobicContact CB-CD1 4.11Å; H106-L139 HydrophobicContact CB-CD2 4.09Å; H106-L139 VanDerWaalsContact CD2-CD2 3.46Å; H106-L139 WeakPolarHBondContact CD2-CD2 3.28Å
107V88.9Confident88.7Confident6 Ų635.1 Ų35.14%0.03619%0.188CC..Hα-helixtrans-63.6-40.7-178.4172.80000112.6L37 V48 V50 A103 Y104 L105 N111L37-V107 HydrophobicContact CD1-CG1 3.85Å; V48-V107 HydrophobicContact CG1-CG1 3.23Å; V50-V107 HydrophobicContact CB-CG2 4.06Å; V50-V107 HydrophobicContact CG1-CG2 3.93Å; V50-V107 HydrophobicContact CG2-CG2 3.97Å; A103-V107 VanDerWaalsContact O-CG2 3.24Å; A103-V107 WeakPolarHBondContact O-CG2 3.24Å; A103-V107 PolarHBondContact O-N 3.03Å; A103-V107 VanDerWaalsContact O-N 3.1Å; Y104-V107 PolarHBondContact O-N 3.48Å; L105-V107 VanDerWaalsContact C-N 3.33Å; L105-V107 PolarHBondContact O-N 3.25Å; V107-N111 WeakPolarHBondContact O-CB 3.21Å; V107-N111 PolarHBondContact O-N 3.5Å
108V89.4Confident88.7Confident1 Ų135 Ų351%0.00619%0.19CC..Hα-helixtrans-77.9-28.2-175.8170.40000112.8Y70 I74 Y104 L105 H106 L114 V116Y70-V108 HydrophobicContact CD2-CG2 4.15Å; I74-V108 HydrophobicContact CD1-CB 4.42Å; I74-V108 HydrophobicContact CD1-CG1 3.93Å; I74-V108 HydrophobicContact CD1-CG2 3.59Å; Y104-V108 HydrophobicContact CD2-CG2 3.96Å; Y104-V108 HydrophobicContact CE2-CG2 3.61Å; Y104-V108 WeakPolarHBondContact O-CB 3.45Å; Y104-V108 WeakPolarHBondContact O-CG2 3.34Å; Y104-V108 PolarHBondContact O-N 2.65Å; L105-V108 PolarHBondContact O-N 2.87Å; H106-V108 VanDerWaalsContact C-N 3.35Å; H106-V108 PolarHBondContact O-N 2.84Å; V108-L114 HydrophobicContact CB-CD1 4.4Å; V108-L114 HydrophobicContact CG2-CD1 4.22Å; V108-V116 HydrophobicContact CG1-CB 3.6Å; V108-V116 HydrophobicContact CG1-CG1 3.8Å; V108-V116 HydrophobicContact CG1-CG2 3.52Å
109M88.6Confident88.7Confident30 Ų3033.5 Ų33.515%0.14818%0.18CC..Hα-helixtrans-95.1-26.6-179.1-62.3-179.468.500113.8L105 H106 V116 K117 A119 L144 V167L105-M109 HydrophobicContact CB-SD 4.43Å; L105-M109 HydrophobicContact CD2-SD 4.22Å; L105-M109 VanDerWaalsContact O-CB 3.25Å; L105-M109 WeakPolarHBondContact O-CB 3.43Å; L105-M109 VanDerWaalsContact O-CG 3.23Å; L105-M109 WeakPolarHBondContact O-CG 3.39Å; L105-M109 PolarHBondContact O-N 3.1Å; H106-M109 PolarHBondContact O-N 3Å; M109-V116 HydrophobicContact CG-CG1 4.06Å; M109-K117 VanDerWaalsContact CE-O 3.28Å; M109-K117 WeakPolarHBondContact CE-O 3.48Å; M109-A119 HydrophobicContact SD-CB 4Å; M109-L144 HydrophobicContact CB-CD2 3.82Å; M109-L144 HydrophobicContact CE-CD2 3.95Å; M109-L144 HydrophobicContact CG-CD2 4.48Å; M109-L144 HydrophobicContact SD-CD2 3.93Å; M109-V167 HydrophobicContact SD-CG2 4.07Å
110T86.3Confident88.9Confident83 Ų8333.1 Ų33.151%0.50918%0.178SC..Hα-helixtrans-79.9-24174.7-58.40000112.4H106 E112H106-T110 WeakPolarHBondContact O-CB 3.43Å; H106-T110 PolarHBondContact O-N 3.36Å; H106-T110 PolarHBondContact O-OG1 3.23Å; T110-E112 PolarHBondContact O-N 3Å
111N83.9Confident88.9Confident34 Ų3433.1 Ų33.118%0.18218%0.178CC..  trans-88100.3177.9-167.5-21.5000111.1A47 V107 L113 L114A47-N111 PolarHBondContact O-ND2 3.02Å; V107-N111 WeakPolarHBondContact O-CB 3.21Å; V107-N111 PolarHBondContact O-N 3.5Å; N111-L113 PolarHBondContact O-N 2.73Å; N111-L113 VanDerWaalsContact O-N 3.08Å; N111-L113 WeakPolarHBondContact OD1-CB 3.44Å; N111-L113 PolarHBondContact OD1-N 2.92Å; N111-L114 HydrophobicContact CB-CD1 4Å; N111-L114 HydrophobicContact CB-CG 4.22Å; N111-L114 WeakPolarHBondContact O-CB 3.4Å; N111-L114 PolarHBondContact O-N 3.43Å
112E79.6Confident88.8Confident185 Ų18533.1 Ų33.186%0.86418%0.178SC*.G310 helixtrans-52.8-32.5-177.8-60.2-174163.400113.6T110 L114 G115T110-E112 PolarHBondContact O-N 3Å; E112-L114 PolarHBondContact O-N 3.26Å; E112-L114 VanDerWaalsContact O-N 3.17Å; E112-G115 PolarHBondContact O-N 2.94Å; E112-G115 VanDerWaalsContact O-N 3.13Å
113L79.1Confident88.8Confident117 Ų11733.1 Ų33.161%0.61318%0.178SC*.G310 helixtrans-61.7-22.9179.2-60.5176.5000113.4F77 I80 N111F77-L113 HydrophobicContact CD1-CB 4.25Å; F77-L113 HydrophobicContact CE1-CB 3.58Å; F77-L113 HydrophobicContact CE1-CD1 4.12Å; F77-L113 HydrophobicContact CZ-CB 4.46Å; F77-L113 HydrophobicContact CZ-CD1 4.36Å; I80-L113 VanDerWaalsContact CD1-O 3.3Å; I80-L113 WeakPolarHBondContact CD1-O 3.47Å; N111-L113 PolarHBondContact O-N 2.73Å; N111-L113 VanDerWaalsContact O-N 3.08Å; N111-L113 WeakPolarHBondContact OD1-CB 3.44Å; N111-L113 PolarHBondContact OD1-N 2.92Å
114L82.4Confident88.5Confident4 Ų434.5 Ų34.52%0.02119%0.186CC..G310 helixtrans-86.8-15.5-179.6-61.1176.9000113.1Y70 I74 F77 I80 V108 N111 E112 V116Y70-L114 HydrophobicContact CE2-CD1 4.04Å; Y70-L114 HydrophobicContact CE2-CD2 4.46Å; I74-L114 HydrophobicContact CD1-CD1 4.06Å; I74-L114 HydrophobicContact CD1-CD2 4.26Å; I74-L114 HydrophobicContact CG2-CD2 4.15Å; F77-L114 HydrophobicContact CD1-CD2 3.97Å; F77-L114 HydrophobicContact CE1-CD2 3.47Å; F77-L114 VanDerWaalsContact CE1-CD2 3.47Å; F77-L114 HydrophobicContact CE1-CG 4.16Å; F77-L114 HydrophobicContact CZ-CD2 4.03Å; I80-L114 HydrophobicContact CD1-CD2 3.99Å; I80-L114 HydrophobicContact CG1-CD2 4.47Å; V108-L114 HydrophobicContact CB-CD1 4.4Å; V108-L114 HydrophobicContact CG2-CD1 4.22Å; N111-L114 HydrophobicContact CB-CD1 4Å; N111-L114 HydrophobicContact CB-CG 4.22Å; N111-L114 WeakPolarHBondContact O-CB 3.4Å; N111-L114 PolarHBondContact O-N 3.43Å; E112-L114 PolarHBondContact O-N 3.26Å; E112-L114 VanDerWaalsContact O-N 3.17Å; L114-V116 PolarHBondContact O-N 3.42Å; L114-V116 VanDerWaalsContact O-N 3.11Å
115G82.1Confident87.8Confident44 Ų4440.9 Ų40.945%0.45422%0.22SC..  trans68.13.1173.700000116.8E112 K117E112-G115 PolarHBondContact O-N 2.94Å; E112-G115 VanDerWaalsContact O-N 3.13Å; G115-K117 PolarHBondContact O-N 3.16Å
116V86.7Confident87Confident8 Ų842.9 Ų42.95%0.04824%0.24CC..  trans-80.6113.9-177.4175.50000110.4V108 M109 L114 D201 V202V108-V116 HydrophobicContact CG1-CB 3.6Å; V108-V116 HydrophobicContact CG1-CG1 3.8Å; V108-V116 HydrophobicContact CG1-CG2 3.52Å; M109-V116 HydrophobicContact CG-CG1 4.06Å; L114-V116 PolarHBondContact O-N 3.42Å; L114-V116 VanDerWaalsContact O-N 3.11Å; V116-D201 HydrophobicContact CB-CB 4.44Å; V116-D201 HydrophobicContact CG1-CB 3.87Å; V116-D201 HydrophobicContact CG2-CB 4.46Å; V116-V202 HydrophobicContact CG1-CG2 3.94Å
117K88.1Confident86.5Confident152 Ų15243.4 Ų43.466%0.66125%0.245SC*.  trans-111-23.3-176.5-64-177.7-178.9-176.40113.2M109 G115 G165 G166 D201M109-K117 VanDerWaalsContact CE-O 3.28Å; M109-K117 WeakPolarHBondContact CE-O 3.48Å; G115-K117 PolarHBondContact O-N 3.16Å; K117-G165 CarbonylContact O-C 3.59Å; K117-G165 WeakPolarHBondContact O-CA 3.28Å; K117-G166 PolarHBondContact O-N 2.91Å; K117-D201 PolarHBondContact N-OD2 3.31Å
118S91.1Very high86.3Confident17 Ų1744.1 Ų44.112%0.11925%0.249CC..EExtended strand (participates in β ladder)trans-131.8122.8-169.962.10000112.5P200 D201 V202S118-P200 WeakPolarHBondContact OG-CA 3.33Å; S118-D201 PolarHBondContact N-OD2 2.9Å; S118-D201 WeakPolarHBondContact O-CB 3.31Å; S118-D201 PolarHBondContact O-N 2.96Å; S118-D201 VanDerWaalsContact OG-CG 3.28Å; S118-D201 PolarHBondContact OG-N 3.42Å; S118-D201 PolarHBondContact OG-OD2 3.36Å; S118-V202 PolarHBondContact O-N 3.48Å
119A93.5Very high85.9Confident0 Ų049.1 Ų49.10%028%0.275CS..EExtended strand (participates in β ladder)trans-123.3132.1176.700000111.3L105 M109 G166 V167 L168 V202L105-A119 HydrophobicContact CD1-CB 4.35Å; L105-A119 HydrophobicContact CD2-CB 3.58Å; M109-A119 HydrophobicContact SD-CB 4Å; A119-G166 PolarHBondContact N-O 3.38Å; A119-V167 HydrophobicContact CB-CG2 4.36Å; A119-V167 WeakPolarHBondContact O-CA 3.46Å; A119-L168 PolarHBondContact O-N 2.97Å; A119-V202 WeakPolarHBondContact CA-O 3.43Å
120L94.2Very high85.6Confident0 Ų050.6 Ų50.60%028%0.283CS..EExtended strand (participates in β ladder)trans-109.7118.9177.3176.463.3000110.1L122 L168 M170 F175 L195 P200 V202 I204L120-L122 HydrophobicContact CD1-CD2 4Å; L120-L122 HydrophobicContact CD2-CD2 4.2Å; L120-L122 HydrophobicContact CD2-CG 4.36Å; L120-L122 HydrophobicContact CG-CD2 4.04Å; L120-L122 HydrophobicContact CG-CG 4.16Å; L120-L168 HydrophobicContact CD1-CB 4.25Å; L120-L168 HydrophobicContact CD1-CD2 3.99Å; L120-L168 HydrophobicContact CD1-CG 3.97Å; L120-M170 HydrophobicContact CD1-CG 3.95Å; L120-M170 HydrophobicContact CD1-SD 3.77Å; L120-F175 HydrophobicContact CD2-CD2 4.32Å; L120-F175 HydrophobicContact CD2-CE2 4.07Å; L120-L195 HydrophobicContact CD2-CD2 4.41Å; L120-P200 HydrophobicContact CB-CB 3.76Å; L120-P200 HydrophobicContact CB-CG 3.76Å; L120-P200 HydrophobicContact CD2-CG 4.02Å; L120-V202 PolarHBondContact N-O 2.69Å; L120-I204 PolarHBondContact O-N 3.21Å
121I95Very high85.7Confident0 Ų046.7 Ų46.70%026%0.259CS..EExtended strand (participates in β ladder)trans-105.9121.3173.8-58.3178.7000109.2L105 W131 F135 V167 L168 I169 M170 I204L105-I121 HydrophobicContact CD1-CD1 4.01Å; I121-W131 HydrophobicContact CD1-CE3 4.06Å; I121-W131 HydrophobicContact CD1-CZ3 4.11Å; I121-W131 HydrophobicContact CG2-CD2 4.1Å; I121-W131 HydrophobicContact CG2-CE3 4.4Å; I121-W131 HydrophobicContact CG2-CG 4.49Å; I121-W131 HydrophobicContact CG2-CZ2 4.44Å; I121-F135 HydrophobicContact CD1-CE2 3.53Å; I121-F135 HydrophobicContact CD1-CZ 3.66Å; I121-V167 HydrophobicContact CD1-CG1 3.52Å; I121-V167 HydrophobicContact CG1-CG1 3.92Å; I121-L168 PolarHBondContact N-O 2.92Å; I121-I169 HydrophobicContact CB-CG1 4.18Å; I121-I169 HydrophobicContact CD1-CG1 4.36Å; I121-I169 HydrophobicContact CG2-CG2 4.46Å; I121-I169 WeakPolarHBondContact O-CA 3.33Å; I121-M170 PolarHBondContact O-N 3.34Å; I121-I204 WeakPolarHBondContact CA-O 3.39Å; I121-I204 HydrophobicContact CD1-CD1 4.46Å; I121-I204 HydrophobicContact CG1-CB 4.19Å; I121-I204 HydrophobicContact CG1-CD1 3.98Å; I121-I204 HydrophobicContact CG2-CG2 4.47Å
122L94.2Very high85.8Confident0 Ų048.9 Ų48.90%027%0.267CS..EExtended strand (participates in β ladder)trans-107.9121.9175.5-59.5-179.9000109.5L120 M170 Y172 F175 I204 D206 L222L120-L122 HydrophobicContact CD1-CD2 4Å; L120-L122 HydrophobicContact CD2-CD2 4.2Å; L120-L122 HydrophobicContact CD2-CG 4.36Å; L120-L122 HydrophobicContact CG-CD2 4.04Å; L120-L122 HydrophobicContact CG-CG 4.16Å; L122-M170 WeakPolarHBondContact CA-O 3.41Å; L122-M170 HydrophobicContact CD2-CG 3.37Å; L122-M170 HydrophobicContact CD2-SD 4.07Å; L122-Y172 HydrophobicContact CB-CD1 4.03Å; L122-Y172 HydrophobicContact CB-CE1 3.68Å; L122-Y172 HydrophobicContact CD1-CD1 4.38Å; L122-Y172 HydrophobicContact CD1-CE1 4.25Å; L122-Y172 PolarHBondContact O-OH 2.82Å; L122-F175 HydrophobicContact CD1-CG 4.48Å; L122-F175 HydrophobicContact CD2-CB 4.08Å; L122-F175 HydrophobicContact CD2-CD2 4.18Å; L122-F175 HydrophobicContact CD2-CG 4.23Å; L122-I204 PolarHBondContact N-O 2.68Å; L122-D206 PolarHBondContact O-N 2.8Å; L122-L222 HydrophobicContact CD1-CD2 3.19Å
123S91.3Very high86Confident0 Ų044.3 Ų44.30%025%0.249CC..EExtended strand (participates in β ladder)trans-139.2164.3-178.258.60000112.3V128 M170 G171 Y172S123-V128 WeakPolarHBondContact OG-CG2 3.41Å; S123-M170 PolarHBondContact N-O 3.45Å; S123-G171 WeakPolarHBondContact O-CA 3.38Å; S123-Y172 WeakPolarHBondContact O-CD2 3.48Å; S123-Y172 PolarHBondContact O-N 3.46Å
124P86.3Confident86.4Confident28 Ų2841.1 Ų41.118%0.18223%0.231CC..  trans-62.2145.9170.2-17.630.3000110.6G126 V127 V128 E207 I210P124-G126 PolarHBondContact O-N 3.05Å; P124-G126 VanDerWaalsContact O-N 3.1Å; P124-V127 HydrophobicContact CB-CG2 4.12Å; P124-V127 HydrophobicContact CG-CG2 4.16Å; P124-V127 PolarHBondContact O-N 2.89Å; P124-V128 PolarHBondContact O-N 3.07Å; P124-E207 HydrophobicContact CG-CB 3.99Å; P124-E207 HydrophobicContact CG-CG 4.1Å; P124-I210 HydrophobicContact CG-CD1 3.91Å
125L79.6Confident86.7Confident135 Ų13541.3 Ų41.371%0.70723%0.231SC*.THydrogen-bonded Turntrans-53.9-38.6-172.5-178.361.5000113.5V127 V128L125-V127 PolarHBondContact O-N 3.11Å; L125-V128 PolarHBondContact O-N 3.17Å
126G75Confident87Confident41 Ų4142.5 Ų42.542%0.42323%0.227SC..THydrogen-bonded Turntrans-67.6-17.1177.400000115P124P124-G126 PolarHBondContact O-N 3.05Å; P124-G126 VanDerWaalsContact O-N 3.1Å
127V82.5Confident86.9Confident27 Ų2747.6 Ų47.616%0.16425%0.253CS..THydrogen-bonded Turntrans-101.1-15.7-177.1-163.10000111.9P124 L125 L129 N130 W131P124-V127 HydrophobicContact CB-CG2 4.12Å; P124-V127 HydrophobicContact CG-CG2 4.16Å; P124-V127 PolarHBondContact O-N 2.89Å; L125-V127 PolarHBondContact O-N 3.11Å; V127-L129 VanDerWaalsContact C-N 3.3Å; V127-L129 PolarHBondContact O-N 2.98Å; V127-N130 HydrophobicContact CG1-CB 4.23Å; V127-N130 WeakPolarHBondContact O-CA 3.2Å; V127-N130 WeakPolarHBondContact O-CB 3.2Å; V127-N130 PolarHBondContact O-N 2.94Å; V127-W131 PolarHBondContact O-N 3.27Å
128V83.8Confident86.6Confident20 Ų2043.8 Ų43.812%0.12124%0.235CC..Hα-helixtrans-53.3-43.7179.3172.20000112.5S123 P124 L125 W131 K132 L148 I169S123-V128 WeakPolarHBondContact OG-CG2 3.41Å; P124-V128 PolarHBondContact O-N 3.07Å; L125-V128 PolarHBondContact O-N 3.17Å; V128-W131 PolarHBondContact O-N 2.79Å; V128-K132 PolarHBondContact O-N 2.67Å; V128-L148 HydrophobicContact CG1-CD2 3.9Å; V128-I169 HydrophobicContact CB-CG2 4.47Å; V128-I169 HydrophobicContact CG1-CG2 3.97Å; V128-I169 HydrophobicContact CG2-CG2 4.43Å
129L80.3Confident86.1Confident106 Ų10643.6 Ų43.656%0.55523%0.233SC*.Hα-helixtrans-72.4-28.8176.9-65.6178.2000112.8V127 K132 N133V127-L129 VanDerWaalsContact C-N 3.3Å; V127-L129 PolarHBondContact O-N 2.98Å; L129-K132 WeakPolarHBondContact O-CB 3.38Å; L129-K132 PolarHBondContact O-N 2.99Å; L129-N133 PolarHBondContact O-N 3.46Å; L129-N133 VanDerWaalsContact O-N 3.16Å; L129-N133 PolarHBondContact O-ND2 2.7Å; L129-N133 PolarHBondContact O-OD1 3.22Å
130N83.3Confident84.5Confident61 Ų6151 Ų5133%0.32627%0.265SS..Hα-helixtrans-69.6-42.1174.4-67.9-8.7000110.5V127 K132 N133 E134V127-N130 HydrophobicContact CG1-CB 4.23Å; V127-N130 WeakPolarHBondContact O-CA 3.2Å; V127-N130 WeakPolarHBondContact O-CB 3.2Å; V127-N130 PolarHBondContact O-N 2.94Å; N130-K132 VanDerWaalsContact C-N 3.3Å; N130-K132 PolarHBondContact O-N 3.19Å; N130-N133 PolarHBondContact O-N 2.98Å; N130-N133 VanDerWaalsContact O-N 3.11Å; N130-E134 WeakPolarHBondContact O-CG 3.34Å; N130-E134 PolarHBondContact O-N 3.05Å
131W88.3Confident82.7Confident2 Ų258.3 Ų58.31%0.00830%0.304CS..Hα-helixtrans-56.3-43.2172.2-83.798.6000112V101 V102 I121 V127 V128 N133 E134 F135 I169 D206 L233V101-W131 HydrophobicContact CB-CH2 4.06Å; V101-W131 HydrophobicContact CB-CZ3 4.28Å; V101-W131 HydrophobicContact CG1-CH2 3.95Å; V101-W131 HydrophobicContact CG1-CZ3 4.01Å; V101-W131 HydrophobicContact CG2-CH2 4.45Å; V102-W131 HydrophobicContact CG2-CZ3 4.48Å; I121-W131 HydrophobicContact CD1-CE3 4.06Å; I121-W131 HydrophobicContact CD1-CZ3 4.11Å; I121-W131 HydrophobicContact CG2-CD2 4.1Å; I121-W131 HydrophobicContact CG2-CE3 4.4Å; I121-W131 HydrophobicContact CG2-CG 4.49Å; I121-W131 HydrophobicContact CG2-CZ2 4.44Å; V127-W131 PolarHBondContact O-N 3.27Å; V128-W131 PolarHBondContact O-N 2.79Å; W131-N133 PolarHBondContact O-N 2.66Å; W131-E134 PolarHBondContact O-N 3.37Å; W131-F135 HydrophobicContact CE3-CD2 4.5Å; W131-F135 AromaticContact CE3-CE2 3.91Å; W131-F135 HydrophobicContact CE3-CE2 3.91Å; W131-F135 HydrophobicContact CZ3-CE2 4.41Å; W131-F135 VanDerWaalsContact O-CD2 3.28Å; W131-F135 WeakPolarHBondContact O-CD2 3.32Å; W131-F135 PolarHBondContact O-N 3.05Å; W131-I169 HydrophobicContact CB-CD1 3.77Å; W131-I169 HydrophobicContact CB-CG2 4.34Å; W131-D206 HydrophobicContact CZ2-CB 3.97Å; W131-D206 PolarHBondContact NE1-OD2 3.37Å; W131-L233 HydrophobicContact CH2-CD1 3.79Å; W131-L233 HydrophobicContact CZ2-CD1 3.72Å
132K85.5Confident80.8Confident79 Ų7960.7 Ų60.734%0.34332%0.315SS..Hα-helixtrans-52.2-56.2171.5-174.8-168.9-169-161.80111.3V128 L129 N130 E134 F135 D136 L146 L148V128-K132 PolarHBondContact O-N 2.67Å; L129-K132 WeakPolarHBondContact O-CB 3.38Å; L129-K132 PolarHBondContact O-N 2.99Å; N130-K132 VanDerWaalsContact C-N 3.3Å; N130-K132 PolarHBondContact O-N 3.19Å; K132-E134 PolarHBondContact O-N 3.1Å; K132-F135 WeakPolarHBondContact O-CB 3.46Å; K132-F135 PolarHBondContact O-N 3.47Å; K132-D136 WeakPolarHBondContact CE-OD2 3.43Å; K132-D136 WeakPolarHBondContact CG-OD2 3.48Å; K132-D136 IonicContact NZ-OD2 3.43Å; K132-D136 PolarHBondContact O-N 3.47Å; K132-L146 HydrophobicContact CB-CD2 4.47Å; K132-L146 HydrophobicContact CG-CD2 3.93Å; K132-L148 HydrophobicContact CB-CD1 3.64Å; K132-L148 HydrophobicContact CD-CD1 3.46Å; K132-L148 VanDerWaalsContact CD-CD1 3.46Å; K132-L148 HydrophobicContact CG-CD1 3.41Å; K132-L148 VanDerWaalsContact CG-CD1 3.41Å
133N83.9Confident78.9Confident89 Ų8964.2 Ų64.248%0.47635%0.35SS..Hα-helixtrans-61.5-33.6-174.5-59.9-25.4000111.9L129 N130 W131 L137L129-N133 PolarHBondContact O-N 3.46Å; L129-N133 VanDerWaalsContact O-N 3.16Å; L129-N133 PolarHBondContact O-ND2 2.7Å; L129-N133 PolarHBondContact O-OD1 3.22Å; N130-N133 PolarHBondContact O-N 2.98Å; N130-N133 VanDerWaalsContact O-N 3.11Å; W131-N133 PolarHBondContact O-N 2.66Å; N133-L137 WeakPolarHBondContact O-CB 3.41Å; N133-L137 PolarHBondContact O-N 3.46Å
134E88.3Confident77.4Confident50 Ų5065.8 Ų65.823%0.23436%0.359CS..Hα-helixtrans-66.9-42.7173.3-63.8-79.4164.400111.6N130 W131 K132 L137 W138N130-E134 WeakPolarHBondContact O-CG 3.34Å; N130-E134 PolarHBondContact O-N 3.05Å; W131-E134 PolarHBondContact O-N 3.37Å; K132-E134 PolarHBondContact O-N 3.1Å; E134-L137 PolarHBondContact O-N 3.17Å; E134-W138 PolarHBondContact O-N 3.25Å; E134-W138 PolarHBondContact OE2-NE1 3.45Å
135F88.7Confident76.2Confident9 Ų968.6 Ų68.64%0.03937%0.372CS..Hα-helixtrans-62.2-47.3173.5-85.7-77.6000112V102 L105 I121 W131 K132 L137 L139 L144 L146 V167 I169V102-F135 HydrophobicContact CB-CE1 4.5Å; V102-F135 HydrophobicContact CG1-CD1 4.23Å; V102-F135 HydrophobicContact CG1-CE1 4.23Å; V102-F135 HydrophobicContact CG2-CD1 4.2Å; V102-F135 HydrophobicContact CG2-CD2 4.39Å; V102-F135 HydrophobicContact CG2-CE1 3.95Å; V102-F135 HydrophobicContact CG2-CE2 4.14Å; V102-F135 HydrophobicContact CG2-CG 4.4Å; V102-F135 HydrophobicContact CG2-CZ 3.9Å; L105-F135 HydrophobicContact CD1-CE1 4.47Å; L105-F135 HydrophobicContact CD1-CZ 3.92Å; I121-F135 HydrophobicContact CD1-CE2 3.53Å; I121-F135 HydrophobicContact CD1-CZ 3.66Å; W131-F135 HydrophobicContact CE3-CD2 4.5Å; W131-F135 AromaticContact CE3-CE2 3.91Å; W131-F135 HydrophobicContact CE3-CE2 3.91Å; W131-F135 HydrophobicContact CZ3-CE2 4.41Å; W131-F135 VanDerWaalsContact O-CD2 3.28Å; W131-F135 WeakPolarHBondContact O-CD2 3.32Å; W131-F135 PolarHBondContact O-N 3.05Å; K132-F135 WeakPolarHBondContact O-CB 3.46Å; K132-F135 PolarHBondContact O-N 3.47Å; F135-L137 VanDerWaalsContact C-N 3.29Å; F135-L137 PolarHBondContact O-N 2.98Å; F135-L139 HydrophobicContact CD1-CD1 4.07Å; F135-L139 HydrophobicContact CE1-CD1 4.33Å; F135-L139 WeakPolarHBondContact O-CA 3.5Å; F135-L139 WeakPolarHBondContact O-CB 3.3Å; F135-L139 PolarHBondContact O-N 3.06Å; F135-L144 HydrophobicContact CE1-CD1 4.29Å; F135-L146 HydrophobicContact CB-CD1 4.43Å; F135-L146 HydrophobicContact CB-CD2 3.99Å; F135-L146 HydrophobicContact CD2-CD1 3.96Å; F135-L146 HydrophobicContact CE2-CD1 4.4Å; F135-L146 HydrophobicContact CG-CD1 4.05Å; F135-L146 HydrophobicContact CG-CD2 4.48Å; F135-V167 HydrophobicContact CE1-CG1 4.47Å; F135-V167 HydrophobicContact CE1-CG2 4.12Å; F135-V167 HydrophobicContact CE2-CG1 4.14Å; F135-V167 HydrophobicContact CZ-CB 4.43Å; F135-V167 HydrophobicContact CZ-CG1 3.82Å; F135-V167 HydrophobicContact CZ-CG2 4.22Å; F135-I169 HydrophobicContact CD2-CD1 4.06Å; F135-I169 HydrophobicContact CE2-CD1 4.22Å
136D86.5Confident75.5Confident69 Ų6964.5 Ų64.537%0.36935%0.351SS..Hα-helixtrans-61.9-36.8178.6-66.5-12.9000111.4K132K132-D136 WeakPolarHBondContact CE-OD2 3.43Å; K132-D136 WeakPolarHBondContact CG-OD2 3.48Å; K132-D136 IonicContact NZ-OD2 3.43Å; K132-D136 PolarHBondContact O-N 3.47Å
137L85Confident74.7Confident114 Ų11463.8 Ų63.860%0.59734%0.339SS*.Hα-helixtrans-70.5-48.8178.8178.165.1000113N133 E134 F135N133-L137 WeakPolarHBondContact O-CB 3.41Å; N133-L137 PolarHBondContact O-N 3.46Å; E134-L137 PolarHBondContact O-N 3.17Å; F135-L137 VanDerWaalsContact C-N 3.29Å; F135-L137 PolarHBondContact O-N 2.98Å
138W83.3Confident73.7Confident73 Ų7364.7 Ų64.728%0.27734%0.343SS..Hα-helixtrans-89.5-26.4-171.2-61.6118.7000113.6L54 C57 L99 V102 E134L54-W138 HydrophobicContact CD2-CB 4.13Å; C57-W138 HydrophobicContact CB-CZ3 4.08Å; L99-W138 HydrophobicContact CD1-CD2 3.69Å; L99-W138 HydrophobicContact CD1-CE3 4.01Å; L99-W138 HydrophobicContact CD1-CG 3.93Å; L99-W138 HydrophobicContact CD1-CZ2 4.38Å; L99-W138 HydrophobicContact CD1-CZ3 4.48Å; L99-W138 HydrophobicContact CD2-CH2 4.3Å; L99-W138 HydrophobicContact CD2-CZ2 4.21Å; V102-W138 HydrophobicContact CG1-CB 4.03Å; E134-W138 PolarHBondContact O-N 3.25Å; E134-W138 PolarHBondContact OE2-NE1 3.45Å
139L78.8Confident72.5Confident12 Ų1268.8 Ų68.86%0.06336%0.359CS..SBendtrans-124.328.8-172.3-61.5-173.6000113.8L54 V102 H106 F135 N141 K142 L144L54-L139 HydrophobicContact CD1-CD2 3.87Å; L54-L139 HydrophobicContact CD2-CD2 4.25Å; V102-L139 HydrophobicContact CG1-CD1 3.55Å; V102-L139 HydrophobicContact CG1-CD2 4.31Å; V102-L139 HydrophobicContact CG1-CG 3.6Å; H106-L139 HydrophobicContact CB-CD1 4.11Å; H106-L139 HydrophobicContact CB-CD2 4.09Å; H106-L139 VanDerWaalsContact CD2-CD2 3.46Å; H106-L139 WeakPolarHBondContact CD2-CD2 3.28Å; F135-L139 HydrophobicContact CD1-CD1 4.07Å; F135-L139 HydrophobicContact CE1-CD1 4.33Å; F135-L139 WeakPolarHBondContact O-CA 3.5Å; F135-L139 WeakPolarHBondContact O-CB 3.3Å; F135-L139 PolarHBondContact O-N 3.06Å; L139-N141 PolarHBondContact O-N 2.68Å; L139-K142 HydrophobicContact CB-CB 4.38Å; L139-K142 PolarHBondContact O-N 3.12Å; L139-L144 HydrophobicContact CD1-CD1 3.55Å; L139-L144 HydrophobicContact CD1-CG 4.41Å
140F60.2Low71.1Confident155 Ų15567.5 Ų67.568%0.6836%0.359SS*.THydrogen-bonded Turntrans-42.7110.7179.2-164.9-92.2000112.6K142F140-K142 VanDerWaalsContact C-N 3.3Å; F140-K142 PolarHBondContact O-N 2.95Å
141N56.4Low69.8Low154 Ų15467.9 Ų67.982%0.82437%0.366SS*.THydrogen-bonded Turntrans5819.2-175.5-70.6-15.6000117.9L139 G143L139-N141 PolarHBondContact O-N 2.68Å; N141-G143 PolarHBondContact O-N 2.92Å
142K56.3Low68.6Low51 Ų5178.5 Ų78.522%0.22241%0.406CS..SBendtrans-92.644.3-177.7-61-165.7179.2-175.50115.6H51 L139 F140 L144H51-K142 PolarHBondContact CE1-NZ 3.05Å; H51-K142 VanDerWaalsContact CE1-NZ 3.25Å; H51-K142 PolarHBondContact NE2-NZ 2.93Å; L139-K142 HydrophobicContact CB-CB 4.38Å; L139-K142 PolarHBondContact O-N 3.12Å; F140-K142 VanDerWaalsContact C-N 3.3Å; F140-K142 PolarHBondContact O-N 2.95Å; K142-L144 PolarHBondContact O-N 3.29Å
143G54.5Low68Low73 Ų7379.7 Ų79.775%0.75342%0.416SS*.SBendtrans73.86159.700000118.7N141N141-G143 PolarHBondContact O-N 2.92Å
144L59.1Low67.8Low34 Ų3479.5 Ų79.518%0.17841%0.409CS..  trans-93.4117169.7-64.7-178.2000111.3M109 F135 L139 K142 L146 V167M109-L144 HydrophobicContact CB-CD2 3.82Å; M109-L144 HydrophobicContact CE-CD2 3.95Å; M109-L144 HydrophobicContact CG-CD2 4.48Å; M109-L144 HydrophobicContact SD-CD2 3.93Å; F135-L144 HydrophobicContact CE1-CD1 4.29Å; L139-L144 HydrophobicContact CD1-CD1 3.55Å; L139-L144 HydrophobicContact CD1-CG 4.41Å; K142-L144 PolarHBondContact O-N 3.29Å; L144-L146 PolarHBondContact O-N 3.42Å; L144-L146 VanDerWaalsContact O-N 3.16Å; L144-V167 HydrophobicContact CD1-CG2 4.15Å
145N60.1Low67.5Low87 Ų8779 Ų7947%0.46541%0.408SS..  trans-65.3111.1170.6-71-35.1000109.9G166 V167N145-G166 CarbonylContact O-C 3.59Å; N145-G166 WeakPolarHBondContact O-CA 3.3Å; N145-V167 PolarHBondContact O-N 3.25Å
146L64.6Low67.2Low49 Ų4984.2 Ų84.226%0.25743%0.434SS..EExtended strand (participates in β ladder)trans-97.4112.4178.8-167.968.4000110.8K132 F135 L144 L148 V167 I169K132-L146 HydrophobicContact CB-CD2 4.47Å; K132-L146 HydrophobicContact CG-CD2 3.93Å; F135-L146 HydrophobicContact CB-CD1 4.43Å; F135-L146 HydrophobicContact CB-CD2 3.99Å; F135-L146 HydrophobicContact CD2-CD1 3.96Å; F135-L146 HydrophobicContact CE2-CD1 4.4Å; F135-L146 HydrophobicContact CG-CD1 4.05Å; F135-L146 HydrophobicContact CG-CD2 4.48Å; L144-L146 PolarHBondContact O-N 3.42Å; L144-L146 VanDerWaalsContact O-N 3.16Å; L146-L148 HydrophobicContact CD2-CD1 4.02Å; L146-L148 HydrophobicContact CG-CD1 4.39Å; L146-L148 HydrophobicContact CG-CG 4.5Å; L146-V167 HydrophobicContact CD1-CB 4.02Å; L146-V167 HydrophobicContact CD1-CG1 4.21Å; L146-I169 HydrophobicContact CD1-CD1 3.65Å; L146-I169 HydrophobicContact CD1-CG1 4.13Å; L146-I169 HydrophobicContact CD2-CD1 4.47Å; L146-I169 HydrophobicContact CG-CD1 4.38Å
147C59.7Low67.1Low25 Ų2582.8 Ų82.817%0.16943%0.426CS..EExtended strand (participates in β ladder)trans-98.7120.1177.1-74.60000111.6L157 V167 L168 I169C147-L157 HydrophobicContact CB-CD1 4.29Å; C147-L157 HydrophobicContact CB-CD2 3.95Å; C147-L157 HydrophobicContact CB-CG 4.08Å; C147-V167 PolarHBondContact N-O 3.22Å; C147-L168 HydrophobicContact CB-CD1 3.86Å; C147-I169 PolarHBondContact O-N 3.33Å
148L61.1Low67.1Low47 Ų4777.5 Ų77.525%0.24640%0.398CS..  trans-123.2144.1176.6-74.1161.2000110.9V128 K132 L146 S150 L157 I169V128-L148 HydrophobicContact CG1-CD2 3.9Å; K132-L148 HydrophobicContact CB-CD1 3.64Å; K132-L148 HydrophobicContact CD-CD1 3.46Å; K132-L148 VanDerWaalsContact CD-CD1 3.46Å; K132-L148 HydrophobicContact CG-CD1 3.41Å; K132-L148 VanDerWaalsContact CG-CD1 3.41Å; L146-L148 HydrophobicContact CD2-CD1 4.02Å; L146-L148 HydrophobicContact CG-CD1 4.39Å; L146-L148 HydrophobicContact CG-CG 4.5Å; L148-S150 PolarHBondContact O-N 3.28Å; L148-L157 WeakPolarHBondContact O-CD1 3.28Å; L148-I169 HydrophobicContact CD2-CB 3.91Å; L148-I169 HydrophobicContact CD2-CD1 4.07Å; L148-I169 HydrophobicContact CD2-CG2 4.44Å
149K58.9Low67.2Low106 Ų10679.8 Ų79.846%0.46141%0.41SS..  trans-64.1114.9-173.3-179.3-163.7170.2-154.90112.3M174K149-M174 HydrophobicContact CD-CE 4.42Å
150S51.1Low67.6Low79 Ų7982.5 Ų82.555%0.55242%0.424SS*.  trans-92.3147.6142.2-177.30000109.5L148 R152L148-S150 PolarHBondContact O-N 3.28Å; S150-R152 VanDerWaalsContact C-N 3.33Å; S150-R152 PolarHBondContact O-N 3.15Å
151S56.3Low68.9Low69 Ų6975.3 Ų75.348%0.48339%0.393SS..SBendtrans-72.4-21-169.7-79.90000115R154S151-R154 PolarHBondContact O-NE 2.92Å; S151-R154 VanDerWaalsContact O-NE 3.13Å; S151-R154 PolarHBondContact O-NH2 3.42Å
152R61.7Low70.3Confident225 Ų22572 Ų7285%0.84937%0.371SS*.SBendtrans-85.2-50.4-168-65.1178.7179.3155.90.6113.1S150S150-R152 VanDerWaalsContact C-N 3.33Å; S150-R152 PolarHBondContact O-N 3.15Å
153D73.1Confident71.8Confident103 Ų10373.2 Ų73.255%0.55139%0.391SS*.  trans-111.239.6-166.5-51.8-62.1000115.3I155 M156 L157D153-I155 PolarHBondContact O-N 2.8Å; D153-M156 HydrophobicContact CB-CB 4.24Å; D153-M156 PolarHBondContact O-N 3.33Å; D153-M156 VanDerWaalsContact O-N 3.08Å; D153-L157 PolarHBondContact O-N 2.84Å
154R79.1Confident73.2Confident85 Ų8578.1 Ų78.132%0.32139%0.388SS..Hα-helixtrans-53.5-33.2-172.9-56-179.7-155.4170.97.6114.2S151 L158 M174S151-R154 PolarHBondContact O-NE 2.92Å; S151-R154 VanDerWaalsContact O-NE 3.13Å; S151-R154 PolarHBondContact O-NH2 3.42Å; R154-L158 WeakPolarHBondContact O-CG 3.38Å; R154-L158 PolarHBondContact O-N 3.2Å; R154-L158 VanDerWaalsContact O-N 3.11Å; R154-M174 PolarHBondContact NH1-SD 3.13Å
155I82.1Confident74.4Confident41 Ų4176.9 Ų76.921%0.2138%0.383CS..Hα-helixtrans-80.9-36.2-176.4-62.5170.9000111.1D153 L157 L158 K159 H187 V190D153-I155 PolarHBondContact O-N 2.8Å; I155-L157 VanDerWaalsContact C-N 3.32Å; I155-L158 PolarHBondContact O-N 3.08Å; I155-K159 WeakPolarHBondContact O-CG 3.48Å; I155-K159 PolarHBondContact O-N 2.89Å; I155-H187 HydrophobicContact CD1-CB 3.67Å; I155-H187 VanDerWaalsContact CD1-CD2 3.44Å; I155-H187 WeakPolarHBondContact CD1-CD2 3.29Å; I155-H187 VanDerWaalsContact CD1-CE1 3.45Å; I155-H187 WeakPolarHBondContact CD1-CE1 3.36Å; I155-H187 WeakPolarHBondContact CD1-ND1 3.48Å; I155-V190 HydrophobicContact CG2-CB 4.44Å; I155-V190 HydrophobicContact CG2-CG1 4.11Å
156M83.1Confident75.8Confident118 Ų11873 Ų7358%0.58136%0.364SS*.Hα-helixtrans-64.2-42.5172-171.6177.5-176.500110.2D153 L158 K159 N160D153-M156 HydrophobicContact CB-CB 4.24Å; D153-M156 PolarHBondContact O-N 3.33Å; D153-M156 VanDerWaalsContact O-N 3.08Å; M156-L158 PolarHBondContact O-N 3.3Å; M156-K159 PolarHBondContact O-N 2.89Å; M156-N160 WeakPolarHBondContact O-CB 3.39Å; M156-N160 PolarHBondContact O-N 3.14Å; M156-N160 PolarHBondContact O-OD1 2.72Å
157L84.6Confident77Confident39 Ų3970.7 Ų70.720%0.20435%0.352CS..Hα-helixtrans-58.5-44.7173.8-178.8155.6000112.2C147 L148 D153 I155 N160 W161 L168C147-L157 HydrophobicContact CB-CD1 4.29Å; C147-L157 HydrophobicContact CB-CD2 3.95Å; C147-L157 HydrophobicContact CB-CG 4.08Å; L148-L157 WeakPolarHBondContact O-CD1 3.28Å; D153-L157 PolarHBondContact O-N 2.84Å; I155-L157 VanDerWaalsContact C-N 3.32Å; L157-N160 PolarHBondContact O-N 2.92Å; L157-W161 WeakPolarHBondContact O-CB 3.4Å; L157-W161 PolarHBondContact O-N 2.89Å; L157-L168 HydrophobicContact CD2-CD1 3.64Å
158L86Confident78.5Confident3 Ų369.9 Ų69.92%0.01635%0.346CS..Hα-helixtrans-63-42.2174.4-76.2-179.8000113.2R154 I155 M156 W161 K162 L168 M178 I191 T194 L195R154-L158 WeakPolarHBondContact O-CG 3.38Å; R154-L158 PolarHBondContact O-N 3.2Å; R154-L158 VanDerWaalsContact O-N 3.11Å; I155-L158 PolarHBondContact O-N 3.08Å; M156-L158 PolarHBondContact O-N 3.3Å; L158-W161 HydrophobicContact CD2-CE3 4.3Å; L158-K162 PolarHBondContact O-N 3.34Å; L158-L168 HydrophobicContact CD2-CD2 3.72Å; L158-M178 HydrophobicContact CD1-CE 3.47Å; L158-M178 VanDerWaalsContact CD1-CE 3.47Å; L158-M178 HydrophobicContact CG-CE 4.19Å; L158-I191 HydrophobicContact CD1-CG1 3.88Å; L158-T194 HydrophobicContact CB-CG2 4.27Å; L158-L195 HydrophobicContact CD2-CD1 4.48Å; L158-L195 HydrophobicContact CD2-CD2 3.89Å; L158-L195 HydrophobicContact CD2-CG 4.2Å
159K85.5Confident79.9Confident120 Ų12067.7 Ų67.752%0.52233%0.334SS..Hα-helixtrans-61.5-46.5176.2-74.8-178.4174.5-169.70111.4I155 M156 K162 A163 V190I155-K159 WeakPolarHBondContact O-CG 3.48Å; I155-K159 PolarHBondContact O-N 2.89Å; M156-K159 PolarHBondContact O-N 2.89Å; K159-K162 PolarHBondContact O-N 2.86Å; K159-A163 WeakPolarHBondContact O-CB 3.32Å; K159-A163 PolarHBondContact O-N 2.84Å; K159-V190 HydrophobicContact CG-CG1 3.94Å
160N86.2Confident81.4Confident69 Ų6963.4 Ų63.437%0.36932%0.316SS..Hα-helixtrans-64.1-46.3179.3-681.4000111.2M156 L157 K162 A163 Y164M156-N160 WeakPolarHBondContact O-CB 3.39Å; M156-N160 PolarHBondContact O-N 3.14Å; M156-N160 PolarHBondContact O-OD1 2.72Å; L157-N160 PolarHBondContact O-N 2.92Å; N160-K162 VanDerWaalsContact C-N 3.3Å; N160-K162 PolarHBondContact O-N 3.41Å; N160-A163 PolarHBondContact O-N 3.48Å; N160-A163 VanDerWaalsContact O-N 3.12Å; N160-Y164 HydrophobicContact CB-CD2 4.22Å; N160-Y164 HydrophobicContact CB-CE2 4.42Å; N160-Y164 VanDerWaalsContact O-CD2 3.23Å; N160-Y164 WeakPolarHBondContact O-CD2 3.2Å; N160-Y164 PolarHBondContact O-N 2.69Å
161W88.1Confident83.2Confident4 Ų460.2 Ų60.22%0.01530%0.296CS..Hα-helixtrans-61.6-35.9177.5173.364.5000112.6L157 L158 G165 G166 L168 T194 L195 P200L157-W161 WeakPolarHBondContact O-CB 3.4Å; L157-W161 PolarHBondContact O-N 2.89Å; L158-W161 HydrophobicContact CD2-CE3 4.3Å; W161-G165 CarbonylContact O-C 3.57Å; W161-G165 WeakPolarHBondContact O-CA 3.37Å; W161-G165 PolarHBondContact O-N 3.35Å; W161-G166 PolarHBondContact NE1-O 3.03Å; W161-L168 HydrophobicContact CD2-CB 3.85Å; W161-L168 HydrophobicContact CD2-CD2 3.97Å; W161-L168 HydrophobicContact CE3-CB 4.42Å; W161-L168 HydrophobicContact CE3-CD2 3.72Å; W161-L168 HydrophobicContact CG-CB 4.19Å; W161-L168 HydrophobicContact CH2-CB 4.43Å; W161-L168 HydrophobicContact CH2-CD2 4.19Å; W161-L168 HydrophobicContact CZ2-CB 3.86Å; W161-L168 HydrophobicContact CZ2-CD2 4.43Å; W161-L168 HydrophobicContact CZ3-CD2 3.84Å; W161-T194 WeakPolarHBondContact CZ3-O 3.32Å; W161-L195 HydrophobicContact CH2-CD2 4.48Å; W161-L195 HydrophobicContact CZ3-CD2 3.98Å; W161-P200 HydrophobicContact CH2-CB 3.95Å; W161-P200 HydrophobicContact CZ2-CB 4.33Å
162K85.7Confident84.9Confident85 Ų8557.3 Ų57.337%0.3727%0.274SS..Hα-helixtrans-69.3-36.7172.4178.5168.8-178.5170.30113.3L158 K159 N160 E193 T194L158-K162 PolarHBondContact O-N 3.34Å; K159-K162 PolarHBondContact O-N 2.86Å; N160-K162 VanDerWaalsContact C-N 3.3Å; N160-K162 PolarHBondContact O-N 3.41Å; K162-E193 VanDerWaalsContact NZ-CG 3.33Å; K162-E193 PolarHBondContact NZ-O 3.28Å; K162-E193 IonicContact NZ-OE1 3.26Å; K162-E193 PolarHBondContact NZ-OE1 3.3Å; K162-E193 IonicContact NZ-OE2 2.98Å; K162-T194 HydrophobicContact CB-CG2 3.97Å; K162-T194 HydrophobicContact CD-CG2 3.74Å; K162-T194 HydrophobicContact CG-CG2 4.46Å
163A86.5Confident86.1Confident77 Ų7749.6 Ų49.664%0.63625%0.254SS*.Hα-helixtrans-74.2-43-179.300000113.1K159 N160K159-A163 WeakPolarHBondContact O-CB 3.32Å; K159-A163 PolarHBondContact O-N 2.84Å; N160-A163 PolarHBondContact O-N 3.48Å; N160-A163 VanDerWaalsContact O-N 3.12Å
164Y84.8Confident86.8Confident176 Ų17645.6 Ų45.669%0.6923%0.232SC*.Hα-helixtrans-102.3-6.7-174.1-58.6-67.5000114.2N160N160-Y164 HydrophobicContact CB-CD2 4.22Å; N160-Y164 HydrophobicContact CB-CE2 4.42Å; N160-Y164 VanDerWaalsContact O-CD2 3.23Å; N160-Y164 WeakPolarHBondContact O-CD2 3.2Å; N160-Y164 PolarHBondContact O-N 2.69Å
165G85Confident87.3Confident8 Ų841.6 Ų41.68%0.08222%0.217CC..  trans66.6-164.3-17100000113.3K117 W161K117-G165 CarbonylContact O-C 3.59Å; K117-G165 WeakPolarHBondContact O-CA 3.28Å; W161-G165 CarbonylContact O-C 3.57Å; W161-G165 WeakPolarHBondContact O-CA 3.37Å; W161-G165 PolarHBondContact O-N 3.35Å
166G87.9Confident87.7Confident6 Ų644.1 Ų44.16%0.06222%0.224CC..EExtended strand (participates in β ladder)trans111.5-164.9178.800000114K117 A119 N145 W161K117-G166 PolarHBondContact O-N 2.91Å; A119-G166 PolarHBondContact N-O 3.38Å; N145-G166 CarbonylContact O-C 3.59Å; N145-G166 WeakPolarHBondContact O-CA 3.3Å; W161-G166 PolarHBondContact NE1-O 3.03Å
167V90.8Very high87.9Confident0 Ų042 Ų420%021%0.214CC..EExtended strand (participates in β ladder)trans-107.4119.3-176-174.10000109.8L105 M109 A119 I121 F135 L144 N145 L146 C147 I169L105-V167 HydrophobicContact CD1-CG1 4.46Å; L105-V167 HydrophobicContact CD1-CG2 4.26Å; M109-V167 HydrophobicContact SD-CG2 4.07Å; A119-V167 HydrophobicContact CB-CG2 4.36Å; A119-V167 WeakPolarHBondContact O-CA 3.46Å; I121-V167 HydrophobicContact CD1-CG1 3.52Å; I121-V167 HydrophobicContact CG1-CG1 3.92Å; F135-V167 HydrophobicContact CE1-CG1 4.47Å; F135-V167 HydrophobicContact CE1-CG2 4.12Å; F135-V167 HydrophobicContact CE2-CG1 4.14Å; F135-V167 HydrophobicContact CZ-CB 4.43Å; F135-V167 HydrophobicContact CZ-CG1 3.82Å; F135-V167 HydrophobicContact CZ-CG2 4.22Å; L144-V167 HydrophobicContact CD1-CG2 4.15Å; N145-V167 PolarHBondContact O-N 3.25Å; L146-V167 HydrophobicContact CD1-CB 4.02Å; L146-V167 HydrophobicContact CD1-CG1 4.21Å; C147-V167 PolarHBondContact N-O 3.22Å; V167-I169 HydrophobicContact CG1-CG1 4.36Å
168L91.2Very high87.9Confident8 Ų840.9 Ų40.94%0.04221%0.208CC..EExtended strand (participates in β ladder)trans-99118.4172.9176.258.1000109.5A119 L120 I121 C147 L157 L158 W161 L195A119-L168 PolarHBondContact O-N 2.97Å; L120-L168 HydrophobicContact CD1-CB 4.25Å; L120-L168 HydrophobicContact CD1-CD2 3.99Å; L120-L168 HydrophobicContact CD1-CG 3.97Å; I121-L168 PolarHBondContact N-O 2.92Å; C147-L168 HydrophobicContact CB-CD1 3.86Å; L157-L168 HydrophobicContact CD2-CD1 3.64Å; L158-L168 HydrophobicContact CD2-CD2 3.72Å; W161-L168 HydrophobicContact CD2-CB 3.85Å; W161-L168 HydrophobicContact CD2-CD2 3.97Å; W161-L168 HydrophobicContact CE3-CB 4.42Å; W161-L168 HydrophobicContact CE3-CD2 3.72Å; W161-L168 HydrophobicContact CG-CB 4.19Å; W161-L168 HydrophobicContact CH2-CB 4.43Å; W161-L168 HydrophobicContact CH2-CD2 4.19Å; W161-L168 HydrophobicContact CZ2-CB 3.86Å; W161-L168 HydrophobicContact CZ2-CD2 4.43Å; W161-L168 HydrophobicContact CZ3-CD2 3.84Å; L168-L195 HydrophobicContact CD2-CD2 4.09Å
169I91.1Very high88Confident1 Ų141.2 Ų41.21%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-103125.9172.5-53.2164.7000109.1I121 V128 W131 F135 L146 C147 L148 V167I121-I169 HydrophobicContact CB-CG1 4.18Å; I121-I169 HydrophobicContact CD1-CG1 4.36Å; I121-I169 HydrophobicContact CG2-CG2 4.46Å; I121-I169 WeakPolarHBondContact O-CA 3.33Å; V128-I169 HydrophobicContact CB-CG2 4.47Å; V128-I169 HydrophobicContact CG1-CG2 3.97Å; V128-I169 HydrophobicContact CG2-CG2 4.43Å; W131-I169 HydrophobicContact CB-CD1 3.77Å; W131-I169 HydrophobicContact CB-CG2 4.34Å; F135-I169 HydrophobicContact CD2-CD1 4.06Å; F135-I169 HydrophobicContact CE2-CD1 4.22Å; L146-I169 HydrophobicContact CD1-CD1 3.65Å; L146-I169 HydrophobicContact CD1-CG1 4.13Å; L146-I169 HydrophobicContact CD2-CD1 4.47Å; L146-I169 HydrophobicContact CG-CD1 4.38Å; C147-I169 PolarHBondContact O-N 3.33Å; L148-I169 HydrophobicContact CD2-CB 3.91Å; L148-I169 HydrophobicContact CD2-CD1 4.07Å; L148-I169 HydrophobicContact CD2-CG2 4.44Å; V167-I169 HydrophobicContact CG1-CG1 4.36Å
170M89.3Confident87.9Confident15 Ų1539.4 Ų39.47%0.07421%0.207CC..EExtended strand (participates in β ladder)trans-145156.417569.6-173.6-51.300113.4L120 I121 L122 S123 M174 F175 M178 L195L120-M170 HydrophobicContact CD1-CG 3.95Å; L120-M170 HydrophobicContact CD1-SD 3.77Å; I121-M170 PolarHBondContact O-N 3.34Å; L122-M170 WeakPolarHBondContact CA-O 3.41Å; L122-M170 HydrophobicContact CD2-CG 3.37Å; L122-M170 HydrophobicContact CD2-SD 4.07Å; S123-M170 PolarHBondContact N-O 3.45Å; M170-M174 HydrophobicContact CE-CB 4.24Å; M170-M174 HydrophobicContact CE-CG 3.89Å; M170-F175 HydrophobicContact CE-CB 3.93Å; M170-F175 HydrophobicContact CE-CD2 4.44Å; M170-F175 HydrophobicContact CG-CB 4.5Å; M170-F175 HydrophobicContact SD-CB 4.1Å; M170-F175 HydrophobicContact SD-CD2 3.9Å; M170-M178 HydrophobicContact CE-CE 4.47Å; M170-M178 HydrophobicContact CE-SD 3.62Å; M170-L195 HydrophobicContact SD-CD1 4.45Å
171G89.9Confident87.4Confident12 Ų1239 Ų3912%0.12420%0.204CC..EExtended strand (participates in β ladder)trans-78143.4176.600000113S123 C173 M174 F175S123-G171 WeakPolarHBondContact O-CA 3.38Å; G171-C173 VanDerWaalsContact C-N 3.29Å; G171-C173 PolarHBondContact O-N 3.22Å; G171-M174 WeakPolarHBondContact O-CA 3.5Å; G171-M174 WeakPolarHBondContact O-CB 3.17Å; G171-M174 PolarHBondContact O-N 2.76Å; G171-F175 PolarHBondContact O-N 3.27Å
172Y91.1Very high86.5Confident8 Ų848.3 Ų48.33%0.03125%0.245CC..Hα-helixtrans-49.5-44178.1-72.4-77.2000114.3L122 S123 M174 F175 R176 C205 D206 I210 I218 L222L122-Y172 HydrophobicContact CB-CD1 4.03Å; L122-Y172 HydrophobicContact CB-CE1 3.68Å; L122-Y172 HydrophobicContact CD1-CD1 4.38Å; L122-Y172 HydrophobicContact CD1-CE1 4.25Å; L122-Y172 PolarHBondContact O-OH 2.82Å; S123-Y172 WeakPolarHBondContact O-CD2 3.48Å; S123-Y172 PolarHBondContact O-N 3.46Å; Y172-M174 VanDerWaalsContact C-N 3.33Å; Y172-M174 PolarHBondContact O-N 3.41Å; Y172-F175 PolarHBondContact O-N 3.1Å; Y172-R176 PolarHBondContact O-N 3.42Å; Y172-C205 WeakPolarHBondContact OH-CA 3.4Å; Y172-C205 WeakPolarHBondContact OH-CB 3.42Å; Y172-D206 VanDerWaalsContact CE2-O 3.28Å; Y172-D206 WeakPolarHBondContact CE2-O 3.34Å; Y172-D206 PolarHBondContact OH-N 3.47Å; Y172-D206 PolarHBondContact OH-O 3.1Å; Y172-I210 HydrophobicContact CD2-CD1 4.06Å; Y172-I210 HydrophobicContact CE2-CD1 3.88Å; Y172-I218 HydrophobicContact CD1-CG2 3.87Å; Y172-I218 HydrophobicContact CG-CG2 4.45Å; Y172-L222 HydrophobicContact CD1-CD1 4.35Å; Y172-L222 HydrophobicContact CE1-CD1 4.23Å
173C87Confident85.6Confident64 Ų6454.9 Ų54.943%0.43227%0.267SS..Hα-helixtrans-63.1-38.7178.1-64.50000112.2G171 R176 I177G171-C173 VanDerWaalsContact C-N 3.29Å; G171-C173 PolarHBondContact O-N 3.22Å; C173-R176 PolarHBondContact O-N 2.89Å; C173-I177 WeakPolarHBondContact O-CB 3.35Å; C173-I177 WeakPolarHBondContact O-CD1 3.38Å; C173-I177 WeakPolarHBondContact O-CG1 3.43Å; C173-I177 PolarHBondContact O-N 3.49Å
174M87Confident84.8Confident19 Ų1955.1 Ų55.19%0.09426%0.258CS..Hα-helixtrans-66.1-43.9177.2-174.756.843.700111K149 R154 M170 G171 Y172 R176 I177 M178K149-M174 HydrophobicContact CD-CE 4.42Å; R154-M174 PolarHBondContact NH1-SD 3.13Å; M170-M174 HydrophobicContact CE-CB 4.24Å; M170-M174 HydrophobicContact CE-CG 3.89Å; G171-M174 WeakPolarHBondContact O-CA 3.5Å; G171-M174 WeakPolarHBondContact O-CB 3.17Å; G171-M174 PolarHBondContact O-N 2.76Å; Y172-M174 VanDerWaalsContact C-N 3.33Å; Y172-M174 PolarHBondContact O-N 3.41Å; M174-R176 PolarHBondContact O-N 3.46Å; M174-I177 PolarHBondContact O-N 3.48Å; M174-M178 HydrophobicContact CG-CG 4.47Å; M174-M178 HydrophobicContact CG-SD 3.79Å; M174-M178 WeakPolarHBondContact O-CB 3.31Å; M174-M178 VanDerWaalsContact O-CG 3.3Å; M174-M178 WeakPolarHBondContact O-CG 3.36Å; M174-M178 PolarHBondContact O-N 3.11Å; M174-M178 HydrophobicContact SD-CG 4.14Å; M174-M178 HydrophobicContact SD-SD 3.92Å
175F90.7Very high84.5Confident0 Ų055.8 Ų55.80%026%0.264CS..Hα-helixtrans-57.6-50.1175.8178.4-91.9000111.1L120 L122 M170 G171 Y172 I177 M178 V179 L195 L196 A221 L222 I225L120-F175 HydrophobicContact CD2-CD2 4.32Å; L120-F175 HydrophobicContact CD2-CE2 4.07Å; L122-F175 HydrophobicContact CD1-CG 4.48Å; L122-F175 HydrophobicContact CD2-CB 4.08Å; L122-F175 HydrophobicContact CD2-CD2 4.18Å; L122-F175 HydrophobicContact CD2-CG 4.23Å; M170-F175 HydrophobicContact CE-CB 3.93Å; M170-F175 HydrophobicContact CE-CD2 4.44Å; M170-F175 HydrophobicContact CG-CB 4.5Å; M170-F175 HydrophobicContact SD-CB 4.1Å; M170-F175 HydrophobicContact SD-CD2 3.9Å; G171-F175 PolarHBondContact O-N 3.27Å; Y172-F175 PolarHBondContact O-N 3.1Å; F175-I177 PolarHBondContact O-N 3.25Å; F175-M178 PolarHBondContact O-N 3.25Å; F175-V179 HydrophobicContact CD1-CG2 4.33Å; F175-V179 HydrophobicContact CD2-CG2 4.44Å; F175-V179 HydrophobicContact CE1-CG2 3.87Å; F175-V179 HydrophobicContact CE2-CG2 4.02Å; F175-V179 HydrophobicContact CZ-CG2 3.69Å; F175-V179 WeakPolarHBondContact O-CG2 3.49Å; F175-V179 PolarHBondContact O-N 3.17Å; F175-L195 HydrophobicContact CD2-CD1 4.13Å; F175-L195 HydrophobicContact CE2-CB 4.18Å; F175-L195 HydrophobicContact CE2-CD1 4.16Å; F175-L196 HydrophobicContact CZ-CD2 4.36Å; F175-A221 HydrophobicContact CD1-CB 4.1Å; F175-A221 HydrophobicContact CE1-CB 3.76Å; F175-L222 HydrophobicContact CD1-CD2 3.77Å; F175-L222 HydrophobicContact CD1-CG 4.41Å; F175-L222 HydrophobicContact CE1-CD2 3.46Å; F175-L222 VanDerWaalsContact CE1-CD2 3.46Å; F175-L222 HydrophobicContact CE1-CG 4.08Å; F175-L222 HydrophobicContact CZ-CD2 4.02Å; F175-I225 HydrophobicContact CE1-CD1 4.45Å; F175-I225 HydrophobicContact CE2-CD1 4.12Å; F175-I225 HydrophobicContact CZ-CD1 3.65Å; F175-I225 HydrophobicContact CZ-CG1 3.83Å
176R89.9Confident84.1Confident95 Ų9561.7 Ų61.736%0.35829%0.294SS..Hα-helixtrans-55.4-47.4174.9-178.2-17373-177.64.2112.5Y172 C173 M174 M178 N180 I218Y172-R176 PolarHBondContact O-N 3.42Å; C173-R176 PolarHBondContact O-N 2.89Å; M174-R176 PolarHBondContact O-N 3.46Å; R176-M178 VanDerWaalsContact C-N 3.33Å; R176-M178 PolarHBondContact O-N 3.17Å; R176-N180 WeakPolarHBondContact O-CB 3.26Å; R176-N180 PolarHBondContact O-N 3.08Å; R176-N180 VanDerWaalsContact O-N 3.09Å; R176-I218 HydrophobicContact CB-CG1 4.41Å
177I87.2Confident83.7Confident72 Ų7264.8 Ų64.837%0.36931%0.307SS..Hα-helixtrans-63.8-40-179.4-70.7163.5000110.8C173 M174 F175 N181C173-I177 WeakPolarHBondContact O-CB 3.35Å; C173-I177 WeakPolarHBondContact O-CD1 3.38Å; C173-I177 WeakPolarHBondContact O-CG1 3.43Å; C173-I177 PolarHBondContact O-N 3.49Å; M174-I177 PolarHBondContact O-N 3.48Å; F175-I177 PolarHBondContact O-N 3.25Å; I177-N181 WeakPolarHBondContact O-CB 3.44Å; I177-N181 PolarHBondContact O-N 3.28Å
178M85.6Confident83.3Confident17 Ų1770.1 Ų70.18%0.08433%0.33CS..Hα-helixtrans-69.9-48.7-179.1-72.3175.162.500112.1L158 M170 M174 F175 R176 N180 N181 I191 L195L158-M178 HydrophobicContact CD1-CE 3.47Å; L158-M178 VanDerWaalsContact CD1-CE 3.47Å; L158-M178 HydrophobicContact CG-CE 4.19Å; M170-M178 HydrophobicContact CE-CE 4.47Å; M170-M178 HydrophobicContact CE-SD 3.62Å; M174-M178 HydrophobicContact CG-CG 4.47Å; M174-M178 HydrophobicContact CG-SD 3.79Å; M174-M178 WeakPolarHBondContact O-CB 3.31Å; M174-M178 VanDerWaalsContact O-CG 3.3Å; M174-M178 WeakPolarHBondContact O-CG 3.36Å; M174-M178 PolarHBondContact O-N 3.11Å; M174-M178 HydrophobicContact SD-CG 4.14Å; M174-M178 HydrophobicContact SD-SD 3.92Å; F175-M178 PolarHBondContact O-N 3.25Å; R176-M178 VanDerWaalsContact C-N 3.33Å; R176-M178 PolarHBondContact O-N 3.17Å; M178-N180 PolarHBondContact O-N 3.28Å; M178-N181 WeakPolarHBondContact O-CB 3.38Å; M178-N181 PolarHBondContact O-N 3.18Å; M178-I191 HydrophobicContact CB-CD1 4.32Å; M178-I191 HydrophobicContact CB-CG2 4.41Å; M178-I191 HydrophobicContact CE-CG1 4.37Å; M178-L195 HydrophobicContact CE-CD1 4.34Å
179V86.9Confident83Confident10 Ų1072.5 Ų72.56%0.06135%0.351CS..Hα-helixtrans-61.5-41.9178.6169.10000111.9F175 N181 L196 A221F175-V179 HydrophobicContact CD1-CG2 4.33Å; F175-V179 HydrophobicContact CD2-CG2 4.44Å; F175-V179 HydrophobicContact CE1-CG2 3.87Å; F175-V179 HydrophobicContact CE2-CG2 4.02Å; F175-V179 HydrophobicContact CZ-CG2 3.69Å; F175-V179 WeakPolarHBondContact O-CG2 3.49Å; F175-V179 PolarHBondContact O-N 3.17Å; V179-N181 VanDerWaalsContact C-N 3.31Å; V179-N181 PolarHBondContact O-N 2.99Å; V179-L196 HydrophobicContact CG1-CD1 4.2Å; V179-L196 HydrophobicContact CG1-CD2 4.36Å; V179-L196 HydrophobicContact CG2-CD2 3.96Å; V179-A221 HydrophobicContact CB-CB 4.32Å; V179-A221 HydrophobicContact CG1-CB 4.14Å
180N84.7Confident82.7Confident82 Ų8273.5 Ų73.544%0.43936%0.357SS..THydrogen-bonded Turntrans-85.54.2-178.6-65.1-19.5000114R176 M178 K182R176-N180 WeakPolarHBondContact O-CB 3.26Å; R176-N180 PolarHBondContact O-N 3.08Å; R176-N180 VanDerWaalsContact O-N 3.09Å; M178-N180 PolarHBondContact O-N 3.28Å; N180-K182 PolarHBondContact O-N 3.38Å
181N75.4Confident82.6Confident59 Ų5973.1 Ų73.132%0.31636%0.355SS..  trans-71.1115.6-175.7-166.7-11.2000111.8I177 M178 V179 R183I177-N181 WeakPolarHBondContact O-CB 3.44Å; I177-N181 PolarHBondContact O-N 3.28Å; M178-N181 WeakPolarHBondContact O-CB 3.38Å; M178-N181 PolarHBondContact O-N 3.18Å; V179-N181 VanDerWaalsContact C-N 3.31Å; V179-N181 PolarHBondContact O-N 2.99Å; N181-R183 WeakPolarHBondContact OD1-CB 3.41Å; N181-R183 PolarHBondContact OD1-N 2.86Å
182K68.3Low82.4Confident200 Ų20074.6 Ų74.687%0.8736%0.363SS*.  trans-90.1-10.2179.2-63.3-175-180-179.30114.5N180N180-K182 PolarHBondContact O-N 3.38Å
183R67.4Low82.2Confident224 Ų22479.2 Ų79.285%0.84539%0.385SS*.SBendtrans-69.7-45.1-162.3-67-176177.5174.7-0.4114.9N181N181-R183 WeakPolarHBondContact OD1-CB 3.41Å; N181-R183 PolarHBondContact OD1-N 2.86Å
184N70.5Confident82.2Confident82 Ų8276.4 Ų76.444%0.43937%0.366SS..  trans-123.7120.7-177-846.9000112.3N186 H187 K188N184-N186 PolarHBondContact O-N 2.74Å; N184-H187 HydrophobicContact CB-CB 3.77Å; N184-H187 VanDerWaalsContact CB-CG 3.49Å; N184-H187 PolarHBondContact ND2-CE1 3.43Å; N184-H187 PolarHBondContact ND2-ND1 3.23Å; N184-H187 PolarHBondContact O-N 3.27Å; N184-K188 PolarHBondContact O-N 2.91Å
185K77.6Confident82.3Confident189 Ų18975.5 Ų75.582%0.82236%0.361SS*.Hα-helixtrans-56.5-48.3177.9-66.2-178.2-179.4177.90112.5H187 K188 A189K185-H187 VanDerWaalsContact C-N 3.31Å; K185-H187 PolarHBondContact O-N 3.45Å; K185-K188 WeakPolarHBondContact O-CB 3.26Å; K185-K188 PolarHBondContact O-N 3.29Å; K185-A189 PolarHBondContact O-N 3.37Å
186N76.4Confident82.2Confident133 Ų13376.2 Ų76.271%0.71137%0.365SS*.Hα-helixtrans-63.8-36.7-179.4-61.63.1000112.2N184 V190N184-N186 PolarHBondContact O-N 2.74Å; N186-V190 PolarHBondContact O-N 3.12Å
187H80.4Confident82.1Confident71 Ų7175.6 Ų75.633%0.32937%0.369SS..Hα-helixtrans-69.8-41.8176.9-62.4-172000110.6I155 N184 K185 A189 V190 I191I155-H187 HydrophobicContact CD1-CB 3.67Å; I155-H187 VanDerWaalsContact CD1-CD2 3.44Å; I155-H187 WeakPolarHBondContact CD1-CD2 3.29Å; I155-H187 VanDerWaalsContact CD1-CE1 3.45Å; I155-H187 WeakPolarHBondContact CD1-CE1 3.36Å; I155-H187 WeakPolarHBondContact CD1-ND1 3.48Å; N184-H187 HydrophobicContact CB-CB 3.77Å; N184-H187 VanDerWaalsContact CB-CG 3.49Å; N184-H187 PolarHBondContact ND2-CE1 3.43Å; N184-H187 PolarHBondContact ND2-ND1 3.23Å; N184-H187 PolarHBondContact O-N 3.27Å; K185-H187 VanDerWaalsContact C-N 3.31Å; K185-H187 PolarHBondContact O-N 3.45Å; H187-A189 PolarHBondContact O-N 3.29Å; H187-V190 PolarHBondContact O-N 3.06Å; H187-I191 WeakPolarHBondContact O-CB 3.4Å; H187-I191 WeakPolarHBondContact O-CD1 3.5Å; H187-I191 VanDerWaalsContact O-CG1 3.24Å; H187-I191 WeakPolarHBondContact O-CG1 3.35Å; H187-I191 PolarHBondContact O-N 3.06Å
188K82.4Confident81.9Confident111 Ų11175.8 Ų75.848%0.48338%0.375SS..Hα-helixtrans-60.2-43.8175.7-173.1-176.7178.4-170.20111.5N184 K185 I191 C192N184-K188 PolarHBondContact O-N 2.91Å; K185-K188 WeakPolarHBondContact O-CB 3.26Å; K185-K188 PolarHBondContact O-N 3.29Å; K188-I191 PolarHBondContact O-N 3.04Å; K188-C192 WeakPolarHBondContact O-CB 3.43Å; K188-C192 PolarHBondContact O-N 3.39Å; K188-C192 PolarHBondContact O-SG 3.46Å
189A84.3Confident82Confident58 Ų5875.5 Ų75.548%0.47938%0.376SS..Hα-helixtrans-55.1-55.4176.400000111.2K185 H187 I191 C192 E193K185-A189 PolarHBondContact O-N 3.37Å; H187-A189 PolarHBondContact O-N 3.29Å; A189-I191 VanDerWaalsContact C-N 3.32Å; A189-I191 PolarHBondContact O-N 2.94Å; A189-C192 PolarHBondContact O-N 3.36Å; A189-E193 VanDerWaalsContact O-CB 3.3Å; A189-E193 WeakPolarHBondContact O-CB 3.25Å; A189-E193 PolarHBondContact O-N 3.24Å
190V85.1Confident82.2Confident23 Ų2375 Ų7514%0.13937%0.373CS..Hα-helixtrans-58.4-41.5177.61780000111.9I155 K159 N186 H187 E193 T194I155-V190 HydrophobicContact CG2-CB 4.44Å; I155-V190 HydrophobicContact CG2-CG1 4.11Å; K159-V190 HydrophobicContact CG-CG1 3.94Å; N186-V190 PolarHBondContact O-N 3.12Å; H187-V190 PolarHBondContact O-N 3.06Å; V190-E193 PolarHBondContact O-N 3.02Å; V190-T194 HydrophobicContact CG1-CG2 4.15Å; V190-T194 WeakPolarHBondContact O-CB 3.19Å; V190-T194 WeakPolarHBondContact O-CG2 3.33Å; V190-T194 PolarHBondContact O-N 3.48Å; V190-T194 PolarHBondContact O-OG1 3.12Å
191I86.2Confident82.6Confident7 Ų773.5 Ų73.54%0.03637%0.365CS..Hα-helixtrans-64.9-45.8178.9-71165.1000111.4L158 M178 H187 K188 A189 E193 T194 L195L158-I191 HydrophobicContact CD1-CG1 3.88Å; M178-I191 HydrophobicContact CB-CD1 4.32Å; M178-I191 HydrophobicContact CB-CG2 4.41Å; M178-I191 HydrophobicContact CE-CG1 4.37Å; H187-I191 WeakPolarHBondContact O-CB 3.4Å; H187-I191 WeakPolarHBondContact O-CD1 3.5Å; H187-I191 VanDerWaalsContact O-CG1 3.24Å; H187-I191 WeakPolarHBondContact O-CG1 3.35Å; H187-I191 PolarHBondContact O-N 3.06Å; K188-I191 PolarHBondContact O-N 3.04Å; A189-I191 VanDerWaalsContact C-N 3.32Å; A189-I191 PolarHBondContact O-N 2.94Å; I191-E193 VanDerWaalsContact C-N 3.34Å; I191-E193 PolarHBondContact O-N 2.93Å; I191-T194 PolarHBondContact O-N 2.99Å; I191-T194 PolarHBondContact O-OG1 2.99Å; I191-L195 HydrophobicContact CG2-CD1 4.23Å; I191-L195 WeakPolarHBondContact O-CB 3.48Å; I191-L195 PolarHBondContact O-N 3.05Å
192C86.6Confident83.4Confident43 Ų4370.7 Ų70.729%0.29135%0.35SS..Hα-helixtrans-61.1-45175.8-67.50000111.3K188 A189 T194 L196 D197K188-C192 WeakPolarHBondContact O-CB 3.43Å; K188-C192 PolarHBondContact O-N 3.39Å; K188-C192 PolarHBondContact O-SG 3.46Å; A189-C192 PolarHBondContact O-N 3.36Å; C192-T194 PolarHBondContact O-N 3.04Å; C192-L196 HydrophobicContact CB-CD1 4.41Å; C192-L196 WeakPolarHBondContact O-CA 3.46Å; C192-L196 WeakPolarHBondContact O-CB 3.39Å; C192-L196 PolarHBondContact O-N 2.98Å; C192-D197 PolarHBondContact O-N 3.39Å
193E87.5Confident84.7Confident105 Ų10561.1 Ų61.149%0.49131%0.309SS..Hα-helixtrans-73.3-12.6-175.4-148-149.9146.600114.2K162 A189 V190 I191 D197K162-E193 VanDerWaalsContact NZ-CG 3.33Å; K162-E193 PolarHBondContact NZ-O 3.28Å; K162-E193 IonicContact NZ-OE1 3.26Å; K162-E193 PolarHBondContact NZ-OE1 3.3Å; K162-E193 IonicContact NZ-OE2 2.98Å; A189-E193 VanDerWaalsContact O-CB 3.3Å; A189-E193 WeakPolarHBondContact O-CB 3.25Å; A189-E193 PolarHBondContact O-N 3.24Å; V190-E193 PolarHBondContact O-N 3.02Å; I191-E193 VanDerWaalsContact C-N 3.34Å; I191-E193 PolarHBondContact O-N 2.93Å; E193-D197 WeakPolarHBondContact CA-O 3.17Å
194T86Confident86.1Confident5 Ų550.5 Ų50.53%0.03127%0.268CS..Hα-helixtrans-110.4-35.2179.554.10000112.6L158 W161 K162 V190 I191 C192 G199L158-T194 HydrophobicContact CB-CG2 4.27Å; W161-T194 WeakPolarHBondContact CZ3-O 3.32Å; K162-T194 HydrophobicContact CB-CG2 3.97Å; K162-T194 HydrophobicContact CD-CG2 3.74Å; K162-T194 HydrophobicContact CG-CG2 4.46Å; V190-T194 HydrophobicContact CG1-CG2 4.15Å; V190-T194 WeakPolarHBondContact O-CB 3.19Å; V190-T194 WeakPolarHBondContact O-CG2 3.33Å; V190-T194 PolarHBondContact O-N 3.48Å; V190-T194 PolarHBondContact O-OG1 3.12Å; I191-T194 PolarHBondContact O-N 2.99Å; I191-T194 PolarHBondContact O-OG1 2.99Å; C192-T194 PolarHBondContact O-N 3.04Å; T194-G199 WeakPolarHBondContact O-CA 3.5Å
195L89.2Confident87.3Confident0 Ų046.6 Ų46.60%025%0.247CC..Hα-helixtrans-108.7-19.9-175-61.3-175.2000114.9L120 L158 W161 L168 M170 F175 M178 I191L120-L195 HydrophobicContact CD2-CD2 4.41Å; L158-L195 HydrophobicContact CD2-CD1 4.48Å; L158-L195 HydrophobicContact CD2-CD2 3.89Å; L158-L195 HydrophobicContact CD2-CG 4.2Å; W161-L195 HydrophobicContact CH2-CD2 4.48Å; W161-L195 HydrophobicContact CZ3-CD2 3.98Å; L168-L195 HydrophobicContact CD2-CD2 4.09Å; M170-L195 HydrophobicContact SD-CD1 4.45Å; F175-L195 HydrophobicContact CD2-CD1 4.13Å; F175-L195 HydrophobicContact CE2-CB 4.18Å; F175-L195 HydrophobicContact CE2-CD1 4.16Å; M178-L195 HydrophobicContact CE-CD1 4.34Å; I191-L195 HydrophobicContact CG2-CD1 4.23Å; I191-L195 WeakPolarHBondContact O-CB 3.48Å; I191-L195 PolarHBondContact O-N 3.05Å
196L89.2Confident88.1Confident14 Ų1438 Ų387%0.07321%0.211CC..THydrogen-bonded Turntrans-117.8-58.3-170.8-56.2-178.2000114.1F175 V179 C192 Q224 I225 K226F175-L196 HydrophobicContact CZ-CD2 4.36Å; V179-L196 HydrophobicContact CG1-CD1 4.2Å; V179-L196 HydrophobicContact CG1-CD2 4.36Å; V179-L196 HydrophobicContact CG2-CD2 3.96Å; C192-L196 HydrophobicContact CB-CD1 4.41Å; C192-L196 WeakPolarHBondContact O-CA 3.46Å; C192-L196 WeakPolarHBondContact O-CB 3.39Å; C192-L196 PolarHBondContact O-N 2.98Å; L196-Q224 HydrophobicContact CD1-CB 4.39Å; L196-Q224 HydrophobicContact CD2-CB 3.88Å; L196-I225 HydrophobicContact CD2-CG1 4.19Å; L196-K226 VanDerWaalsContact O-CB 3.29Å; L196-K226 WeakPolarHBondContact O-CB 3.08Å; L196-K226 PolarHBondContact O-N 3.06Å
197D87.1Confident88.7Confident83 Ų8333 Ų3344%0.44418%0.183SC..SBendtrans-144113.4-177.3-169.3-7.7000110.5C192 E193 G199 K226C192-D197 PolarHBondContact O-N 3.39Å; E193-D197 WeakPolarHBondContact CA-O 3.17Å; D197-G199 VanDerWaalsContact C-N 3.27Å; D197-K226 HydrophobicContact CB-CD 4.11Å; D197-K226 WeakPolarHBondContact OD1-CD 3.38Å; D197-K226 WeakPolarHBondContact OD1-CE 3.47Å; D197-K226 IonicContact OD1-NZ 3.75Å; D197-K226 PolarHBondContact OD1-NZ 3.04Å; D197-K226 WeakPolarHBondContact OD2-CD 3.38Å; D197-K226 IonicContact OD2-NZ 3.48Å; D197-K226 PolarHBondContact OD2-NZ 2.79Å
198P84Confident89.1Confident76 Ų7629.6 Ų29.649%0.49417%0.167SC..SBendcis-64.5-27.6-0.126.6-35000113.1
199G87.2Confident89.2Confident11 Ų1125.2 Ų25.211%0.11315%0.149CC..  trans76.3-168.8-175.500000113.1T194 D197T194-G199 WeakPolarHBondContact O-CA 3.5Å; D197-G199 VanDerWaalsContact C-N 3.27Å
200P91.7Very high89.3Confident0 Ų025.1 Ų25.10%014%0.139CC..  trans-66.5147.4172.925.5-34.3000112.7S118 L120 W161 V202 V203 I225 T227S118-P200 WeakPolarHBondContact OG-CA 3.33Å; L120-P200 HydrophobicContact CB-CB 3.76Å; L120-P200 HydrophobicContact CB-CG 3.76Å; L120-P200 HydrophobicContact CD2-CG 4.02Å; W161-P200 HydrophobicContact CH2-CB 3.95Å; W161-P200 HydrophobicContact CZ2-CB 4.33Å; P200-V202 VanDerWaalsContact C-N 3.3Å; P200-V202 PolarHBondContact O-N 2.82Å; P200-V203 HydrophobicContact CG-CG2 3.6Å; P200-I225 HydrophobicContact CG-CG2 4.33Å; P200-T227 VanDerWaalsContact O-CB 3.25Å; P200-T227 WeakPolarHBondContact O-CB 3.41Å; P200-T227 WeakPolarHBondContact O-CG2 3.37Å; P200-T227 PolarHBondContact O-OG1 3.44Å
201D91.4Very high89.2Confident49 Ų4924.2 Ų24.226%0.26213%0.134SC..SBendtrans-67.9-29.5173.6-58.9-59.7000112.9V116 K117 S118 T227 R229V116-D201 HydrophobicContact CB-CB 4.44Å; V116-D201 HydrophobicContact CG1-CB 3.87Å; V116-D201 HydrophobicContact CG2-CB 4.46Å; K117-D201 PolarHBondContact N-OD2 3.31Å; S118-D201 PolarHBondContact N-OD2 2.9Å; S118-D201 WeakPolarHBondContact O-CB 3.31Å; S118-D201 PolarHBondContact O-N 2.96Å; S118-D201 VanDerWaalsContact OG-CG 3.28Å; S118-D201 PolarHBondContact OG-N 3.42Å; S118-D201 PolarHBondContact OG-OD2 3.36Å; D201-T227 VanDerWaalsContact O-CG2 3.27Å; D201-T227 WeakPolarHBondContact O-CG2 3.44Å; D201-R229 WeakPolarHBondContact O-CB 3.5Å; D201-R229 WeakPolarHBondContact O-CD 3.38Å
202V93.3Very high88.8Confident0 Ų026.6 Ų26.60%014%0.144CC..EExtended strand (participates in β ladder)trans-139.3133.4176.1-178.60000110.5Y104 V116 S118 A119 L120 P200 I204 R229 I231Y104-V202 HydrophobicContact CE1-CG1 4.33Å; V116-V202 HydrophobicContact CG1-CG2 3.94Å; S118-V202 PolarHBondContact O-N 3.48Å; A119-V202 WeakPolarHBondContact CA-O 3.43Å; L120-V202 PolarHBondContact N-O 2.69Å; P200-V202 VanDerWaalsContact C-N 3.3Å; P200-V202 PolarHBondContact O-N 2.82Å; V202-I204 HydrophobicContact CG1-CD1 4.42Å; V202-I204 HydrophobicContact CG1-CG1 4.31Å; V202-R229 HydrophobicContact CG2-CB 4.29Å; V202-I231 HydrophobicContact CG1-CD1 4.09Å
203V95.1Very high88.6Confident0 Ų027.5 Ų27.50%015%0.146CC..EExtended strand (participates in β ladder)trans-110.4130.5172.2-177.50000109.7P200 I225 R229 R230 I231P200-V203 HydrophobicContact CG-CG2 3.6Å; V203-I225 HydrophobicContact CG1-CD1 4.34Å; V203-I225 HydrophobicContact CG2-CD1 4.06Å; V203-I225 HydrophobicContact CG2-CG2 3.96Å; V203-R229 PolarHBondContact N-O 3.11Å; V203-R230 HydrophobicContact CB-CG 4.5Å; V203-R230 CarbonylContact O-C 3.52Å; V203-R230 WeakPolarHBondContact O-CA 3.26Å; V203-I231 PolarHBondContact O-N 3.42Å
204I96.5Very high88.4Confident0 Ų025.3 Ų25.30%014%0.137CC..EExtended strand (participates in β ladder)trans-118.2124.3173.1-66.6144.9000108.7V101 L105 L120 I121 L122 V202 I231 L233V101-I204 HydrophobicContact CG1-CD1 3.6Å; V101-I204 HydrophobicContact CG1-CG1 4.26Å; V101-I204 HydrophobicContact CG1-CG2 4.25Å; L105-I204 HydrophobicContact CD1-CD1 3.69Å; L105-I204 HydrophobicContact CD2-CD1 3.94Å; L105-I204 HydrophobicContact CG-CD1 3.99Å; L120-I204 PolarHBondContact O-N 3.21Å; I121-I204 WeakPolarHBondContact CA-O 3.39Å; I121-I204 HydrophobicContact CD1-CD1 4.46Å; I121-I204 HydrophobicContact CG1-CB 4.19Å; I121-I204 HydrophobicContact CG1-CD1 3.98Å; I121-I204 HydrophobicContact CG2-CG2 4.47Å; L122-I204 PolarHBondContact N-O 2.68Å; V202-I204 HydrophobicContact CG1-CD1 4.42Å; V202-I204 HydrophobicContact CG1-CG1 4.31Å; I204-I231 CarbonylContact C-O 3.49Å; I204-I231 WeakPolarHBondContact CA-O 3.4Å; I204-I231 HydrophobicContact CG1-CB 3.97Å; I204-I231 HydrophobicContact CG1-CD1 4Å; I204-I231 HydrophobicContact CG1-CG1 4.44Å; I204-L233 HydrophobicContact CG2-CD1 3.77Å; I204-L233 HydrophobicContact CG2-CG 4.11Å
205C95.5Very high88.3Confident0 Ų028.2 Ų28.20%016%0.158CC..EExtended strand (participates in β ladder)trans-109.7105.7176-68.70000109.2Y172 A208 I231 L233Y172-C205 WeakPolarHBondContact OH-CA 3.4Å; Y172-C205 WeakPolarHBondContact OH-CB 3.42Å; C205-A208 HydrophobicContact CB-CB 4.31Å; C205-I231 PolarHBondContact N-O 3.11Å; C205-L233 PolarHBondContact O-N 2.98Å
206D93.9Very high88.1Confident10 Ų1030 Ų305%0.05317%0.172CC..THydrogen-bonded Turntrans-82.8143.1174.2-172.532.7000111.4L122 W131 Y172 A208 L233L122-D206 PolarHBondContact O-N 2.8Å; W131-D206 HydrophobicContact CZ2-CB 3.97Å; W131-D206 PolarHBondContact NE1-OD2 3.37Å; Y172-D206 VanDerWaalsContact CE2-O 3.28Å; Y172-D206 WeakPolarHBondContact CE2-O 3.34Å; Y172-D206 PolarHBondContact OH-N 3.47Å; Y172-D206 PolarHBondContact OH-O 3.1Å; D206-A208 VanDerWaalsContact C-N 3.3Å; D206-A208 PolarHBondContact O-N 3.46Å; D206-L233 HydrophobicContact CB-CD1 4.28Å
207E89.1Confident88Confident26 Ų2630.8 Ų30.812%0.12118%0.184CC..THydrogen-bonded Turntrans46.252-166.2-60.3-62.3-176.300112.6P124 H209 I210 L233P124-E207 HydrophobicContact CG-CB 3.99Å; P124-E207 HydrophobicContact CG-CG 4.1Å; E207-H209 PolarHBondContact O-N 2.85Å; E207-H209 IonicContact OE2-CE1 3.5Å; E207-H209 PolarHBondContact OE2-CE1 2.97Å; E207-H209 IonicContact OE2-ND1 2.67Å; E207-H209 PolarHBondContact OE2-ND1 3.27Å; E207-I210 HydrophobicContact CB-CD1 4.26Å; E207-I210 WeakPolarHBondContact O-CG1 3.23Å; E207-I210 PolarHBondContact O-N 3.2Å; E207-L233 WeakPolarHBondContact CA-O 3.35Å; E207-L233 PolarHBondContact N-O 2.95Å; E207-L233 VanDerWaalsContact N-O 3.14Å
208A90.5Very high88.2Confident0 Ų028 Ų280%017%0.169CC..G310 helixtrans-58-13.4-174.700000115C205 D206 I210 L211 C232 L233 M248C205-A208 HydrophobicContact CB-CB 4.31Å; D206-A208 VanDerWaalsContact C-N 3.3Å; D206-A208 PolarHBondContact O-N 3.46Å; A208-I210 PolarHBondContact O-N 3.42Å; A208-I210 VanDerWaalsContact O-N 3.08Å; A208-L211 VanDerWaalsContact O-CB 3.31Å; A208-L211 WeakPolarHBondContact O-CB 3.46Å; A208-L211 VanDerWaalsContact O-CG 3.31Å; A208-L211 WeakPolarHBondContact O-CG 3.35Å; A208-L211 PolarHBondContact O-N 3.39Å; A208-C232 HydrophobicContact CB-CB 3.53Å; A208-L233 PolarHBondContact N-O 3.25Å; A208-M248 HydrophobicContact CB-CG 4.42Å; A208-M248 HydrophobicContact CB-SD 3.73Å
209H84.5Confident88.5Confident20 Ų2024.8 Ų24.89%0.09315%0.148CC..G310 helixtrans-60.9-9.9169.467.4-111.9000113.8E207 L211 K212 Q239 Q619E207-H209 PolarHBondContact O-N 2.85Å; E207-H209 IonicContact OE2-CE1 3.5Å; E207-H209 PolarHBondContact OE2-CE1 2.97Å; E207-H209 IonicContact OE2-ND1 2.67Å; E207-H209 PolarHBondContact OE2-ND1 3.27Å; H209-L211 PolarHBondContact O-N 3.38Å; H209-K212 WeakPolarHBondContact O-CG 3.29Å; H209-Q239 HydrophobicContact CB-CG 4.26Å; H209-Q239 VanDerWaalsContact CD2-CD 3.49Å; H209-Q239 PolarHBondContact CD2-NE2 2.96Å; H209-Q239 PolarHBondContact CE1-NE2 3.48Å; H209-Q239 PolarHBondContact ND1-NE2 2.89Å; H209-Q239 PolarHBondContact NE2-NE2 3.31Å; H209-Q239 VanDerWaalsContact NE2-NE2 3.1Å; H209-Q619 PolarHBondContact CE1-NE2 3.26Å
210I84.7Confident88.6Confident55 Ų5530.1 Ų30.128%0.28217%0.168SC..G310 helixtrans-63.9-22.2168.6-69.9167.2000111.5P124 Y172 E207 A208 K212 I218P124-I210 HydrophobicContact CG-CD1 3.91Å; Y172-I210 HydrophobicContact CD2-CD1 4.06Å; Y172-I210 HydrophobicContact CE2-CD1 3.88Å; E207-I210 HydrophobicContact CB-CD1 4.26Å; E207-I210 WeakPolarHBondContact O-CG1 3.23Å; E207-I210 PolarHBondContact O-N 3.2Å; A208-I210 PolarHBondContact O-N 3.42Å; A208-I210 VanDerWaalsContact O-N 3.08Å; I210-K212 PolarHBondContact O-N 3.17Å; I210-I218 HydrophobicContact CG2-CD1 4.42Å
211L83.7Confident88.6Confident5 Ų530.1 Ų30.13%0.02617%0.168CC..  trans-79.250.4178.4-52.4-177.6000112.4A208 H209 N213 I218 L222 C247 F251A208-L211 VanDerWaalsContact O-CB 3.31Å; A208-L211 WeakPolarHBondContact O-CB 3.46Å; A208-L211 VanDerWaalsContact O-CG 3.31Å; A208-L211 WeakPolarHBondContact O-CG 3.35Å; A208-L211 PolarHBondContact O-N 3.39Å; H209-L211 PolarHBondContact O-N 3.38Å; L211-N213 VanDerWaalsContact C-N 3.34Å; L211-N213 PolarHBondContact O-N 2.84Å; L211-I218 HydrophobicContact CD2-CG2 4.26Å; L211-L222 HydrophobicContact CD1-CD1 4.39Å; L211-L222 HydrophobicContact CD2-CD1 3.4Å; L211-L222 VanDerWaalsContact CD2-CD1 3.4Å; L211-C247 WeakPolarHBondContact O-CB 3.35Å; L211-F251 HydrophobicContact CD1-CB 4.49Å; L211-F251 HydrophobicContact CD1-CD1 3.71Å; L211-F251 HydrophobicContact CD1-CE1 4.11Å; L211-F251 HydrophobicContact CD1-CG 4.07Å
212K78.7Confident88.6Confident56 Ų5627.8 Ų27.824%0.24316%0.156CC..  trans-67.7-25.6-171.9-63.8-178.5170.4-85.20115.1H209 I210 N240 E244H209-K212 WeakPolarHBondContact O-CG 3.29Å; I210-K212 PolarHBondContact O-N 3.17Å; K212-N240 PolarHBondContact NZ-ND2 3.13Å; K212-E244 HydrophobicContact CB-CG 4.02Å; K212-E244 VanDerWaalsContact CD-OE1 3.24Å; K212-E244 WeakPolarHBondContact CD-OE1 3.49Å; K212-E244 WeakPolarHBondContact CE-OE1 3.47Å; K212-E244 HydrophobicContact CG-CG 4.13Å; K212-E244 WeakPolarHBondContact CG-OE1 3.45Å; K212-E244 VanDerWaalsContact NZ-CD 3.33Å; K212-E244 IonicContact NZ-OE1 3.31Å; K212-E244 PolarHBondContact NZ-OE1 3.45Å; K212-E244 IonicContact NZ-OE2 3.34Å; K212-E244 PolarHBondContact NZ-OE2 3.45Å
213N82.1Confident88.4Confident63 Ų6331.3 Ų31.334%0.33718%0.181SC..  trans-152.4133.8-172.1-167.1-20.8000111L211 S215 A216 S219 F243L211-N213 VanDerWaalsContact C-N 3.34Å; L211-N213 PolarHBondContact O-N 2.84Å; N213-S215 PolarHBondContact ND2-OG 3.27Å; N213-S215 PolarHBondContact O-N 2.88Å; N213-S215 WeakPolarHBondContact OD1-CB 3.38Å; N213-S215 PolarHBondContact OD1-N 3.02Å; N213-S215 PolarHBondContact OD1-OG 3.01Å; N213-A216 WeakPolarHBondContact O-CB 2.99Å; N213-A216 PolarHBondContact O-N 3.3Å; N213-S219 VanDerWaalsContact O-CB 3.28Å; N213-S219 WeakPolarHBondContact O-CB 3.44Å; N213-S219 PolarHBondContact O-OG 3.43Å; N213-F243 HydrophobicContact CB-CE1 4.44Å
214D82.7Confident88.2Confident58 Ų5835.8 Ų35.831%0.3120%0.202SC..THydrogen-bonded Turntrans-61-26.3174.4-62.9-27.8000112.5A216 K220 C247D214-A216 VanDerWaalsContact C-N 3.27Å; D214-A216 PolarHBondContact O-N 2.83Å; D214-K220 WeakPolarHBondContact O-CG 3.2Å; D214-C247 VanDerWaalsContact CG-SG 3.52Å; D214-C247 PolarHBondContact N-SG 3.03Å; D214-C247 PolarHBondContact OD1-SG 3.25Å
215S83.8Confident88Confident66 Ų6635.9 Ų35.946%0.46220%0.202SC..THydrogen-bonded Turntrans-69.7-24.1178.677.20000113.4N213 K220N213-S215 PolarHBondContact ND2-OG 3.27Å; N213-S215 PolarHBondContact O-N 2.88Å; N213-S215 WeakPolarHBondContact OD1-CB 3.38Å; N213-S215 PolarHBondContact OD1-N 3.02Å; N213-S215 PolarHBondContact OD1-OG 3.01Å; S215-K220 WeakPolarHBondContact O-CD 3.47Å; S215-K220 WeakPolarHBondContact O-CE 3.32Å; S215-K220 PolarHBondContact O-NZ 3.37Å
216A86Confident87.7Confident37 Ų3742 Ų4231%0.30623%0.229SC..SBendtrans-66.6139.6-172.200000111.5N213 D214 I218 S219 K220N213-A216 WeakPolarHBondContact O-CB 2.99Å; N213-A216 PolarHBondContact O-N 3.3Å; D214-A216 VanDerWaalsContact C-N 3.27Å; D214-A216 PolarHBondContact O-N 2.83Å; A216-I218 PolarHBondContact O-N 2.77Å; A216-S219 PolarHBondContact O-N 3.46Å; A216-S219 VanDerWaalsContact O-N 3.09Å; A216-K220 PolarHBondContact O-N 3.23Å
217G87.1Confident87.5Confident31 Ų3142.6 Ų42.632%0.3223%0.233SC..Hα-helixtrans-61.2-20.1-177.300000114.8A221G217-A221 WeakPolarHBondContact O-CB 3.48Å; G217-A221 PolarHBondContact O-N 2.91Å
218I90.3Very high87.4Confident26 Ų2646.3 Ų46.313%0.13325%0.248CC..Hα-helixtrans-75.1-53.6172.3-61.6171.3000109.6Y172 R176 I210 L211 A216 K220 A221 L222Y172-I218 HydrophobicContact CD1-CG2 3.87Å; Y172-I218 HydrophobicContact CG-CG2 4.45Å; R176-I218 HydrophobicContact CB-CG1 4.41Å; I210-I218 HydrophobicContact CG2-CD1 4.42Å; L211-I218 HydrophobicContact CD2-CG2 4.26Å; A216-I218 PolarHBondContact O-N 2.77Å; I218-K220 VanDerWaalsContact C-N 3.32Å; I218-K220 PolarHBondContact O-N 2.93Å; I218-A221 WeakPolarHBondContact O-CB 3.24Å; I218-A221 PolarHBondContact O-N 2.8Å; I218-L222 HydrophobicContact CG2-CD1 3.8Å; I218-L222 HydrophobicContact CG2-CG 4.39Å; I218-L222 WeakPolarHBondContact O-CG 3.47Å; I218-L222 PolarHBondContact O-N 3.02Å
219S89.6Confident87.4Confident8 Ų847.9 Ų47.96%0.05625%0.254CS..Hα-helixtrans-55-45.8176.9-43.70000111.8N213 A216 A221 L222 S223N213-S219 VanDerWaalsContact O-CB 3.28Å; N213-S219 WeakPolarHBondContact O-CB 3.44Å; N213-S219 PolarHBondContact O-OG 3.43Å; A216-S219 PolarHBondContact O-N 3.46Å; A216-S219 VanDerWaalsContact O-N 3.09Å; S219-A221 VanDerWaalsContact C-N 3.3Å; S219-A221 PolarHBondContact O-N 3.34Å; S219-L222 PolarHBondContact O-N 3.32Å; S219-S223 PolarHBondContact O-N 3.27Å; S219-S223 PolarHBondContact O-OG 2.87Å
220K90.1Very high87.9Confident122 Ų12248.1 Ų48.153%0.5326%0.255SS..Hα-helixtrans-60.8-32.9174.6-72.3177.6172.8158.20114D214 S215 A216 I218 Q224D214-K220 WeakPolarHBondContact O-CG 3.2Å; S215-K220 WeakPolarHBondContact O-CD 3.47Å; S215-K220 WeakPolarHBondContact O-CE 3.32Å; S215-K220 PolarHBondContact O-NZ 3.37Å; A216-K220 PolarHBondContact O-N 3.23Å; I218-K220 VanDerWaalsContact C-N 3.32Å; I218-K220 PolarHBondContact O-N 2.93Å; K220-Q224 PolarHBondContact O-NE2 3.2Å
221A91.2Very high88.5Confident0 Ų045.6 Ų45.60%024%0.241CC..Hα-helixtrans-74.7-39.4175.300000111.2F175 V179 G217 I218 S219 Q224F175-A221 HydrophobicContact CD1-CB 4.1Å; F175-A221 HydrophobicContact CE1-CB 3.76Å; V179-A221 HydrophobicContact CB-CB 4.32Å; V179-A221 HydrophobicContact CG1-CB 4.14Å; G217-A221 WeakPolarHBondContact O-CB 3.48Å; G217-A221 PolarHBondContact O-N 2.91Å; I218-A221 WeakPolarHBondContact O-CB 3.24Å; I218-A221 PolarHBondContact O-N 2.8Å; S219-A221 VanDerWaalsContact C-N 3.3Å; S219-A221 PolarHBondContact O-N 3.34Å; A221-Q224 WeakPolarHBondContact O-CB 3.48Å; A221-Q224 PolarHBondContact O-N 2.86Å
222L92.2Very high89Confident0 Ų045.3 Ų45.30%024%0.24CC..Hα-helixtrans-72.6-33.9-179-65.1171000113L122 Y172 F175 L211 I218 S219 Q224 I225 F251L122-L222 HydrophobicContact CD1-CD2 3.19Å; Y172-L222 HydrophobicContact CD1-CD1 4.35Å; Y172-L222 HydrophobicContact CE1-CD1 4.23Å; F175-L222 HydrophobicContact CD1-CD2 3.77Å; F175-L222 HydrophobicContact CD1-CG 4.41Å; F175-L222 HydrophobicContact CE1-CD2 3.46Å; F175-L222 VanDerWaalsContact CE1-CD2 3.46Å; F175-L222 HydrophobicContact CE1-CG 4.08Å; F175-L222 HydrophobicContact CZ-CD2 4.02Å; L211-L222 HydrophobicContact CD1-CD1 4.39Å; L211-L222 HydrophobicContact CD2-CD1 3.4Å; L211-L222 VanDerWaalsContact CD2-CD1 3.4Å; I218-L222 HydrophobicContact CG2-CD1 3.8Å; I218-L222 HydrophobicContact CG2-CG 4.39Å; I218-L222 WeakPolarHBondContact O-CG 3.47Å; I218-L222 PolarHBondContact O-N 3.02Å; S219-L222 PolarHBondContact O-N 3.32Å; L222-Q224 PolarHBondContact O-N 2.95Å; L222-Q224 VanDerWaalsContact O-N 3.16Å; L222-I225 HydrophobicContact CD2-CD1 3.99Å; L222-I225 WeakPolarHBondContact O-CG1 3.06Å; L222-I225 PolarHBondContact O-N 2.8Å; L222-I225 VanDerWaalsContact O-N 3.11Å; L222-F251 HydrophobicContact CB-CD2 4.4Å; L222-F251 HydrophobicContact CB-CE2 3.69Å; L222-F251 HydrophobicContact CB-CZ 4.18Å
223S89.1Confident89.8Confident75 Ų7542.7 Ų42.752%0.52423%0.229SC..THydrogen-bonded Turntrans-62.5-18.1174.3-66.40000113.6S219S219-S223 PolarHBondContact O-N 3.27Å; S219-S223 PolarHBondContact O-OG 2.87Å
224Q90.3Very high90.3Very high94 Ų9439.7 Ų39.744%0.43921%0.213SC..THydrogen-bonded Turntrans-78.9-12.5175.7-66.8168.258.900113.7L196 K220 A221 L222 K226L196-Q224 HydrophobicContact CD1-CB 4.39Å; L196-Q224 HydrophobicContact CD2-CB 3.88Å; K220-Q224 PolarHBondContact O-NE2 3.2Å; A221-Q224 WeakPolarHBondContact O-CB 3.48Å; A221-Q224 PolarHBondContact O-N 2.86Å; L222-Q224 PolarHBondContact O-N 2.95Å; L222-Q224 VanDerWaalsContact O-N 3.16Å; Q224-K226 PolarHBondContact O-N 3.4Å
225I92.4Very high90.4Very high2 Ų237.1 Ų37.11%0.0120%0.2CC..  trans-73.6122.7178.6-52.6172.1000109.4F175 L196 P200 V203 L222 T227 R230F175-I225 HydrophobicContact CE1-CD1 4.45Å; F175-I225 HydrophobicContact CE2-CD1 4.12Å; F175-I225 HydrophobicContact CZ-CD1 3.65Å; F175-I225 HydrophobicContact CZ-CG1 3.83Å; L196-I225 HydrophobicContact CD2-CG1 4.19Å; P200-I225 HydrophobicContact CG-CG2 4.33Å; V203-I225 HydrophobicContact CG1-CD1 4.34Å; V203-I225 HydrophobicContact CG2-CD1 4.06Å; V203-I225 HydrophobicContact CG2-CG2 3.96Å; L222-I225 HydrophobicContact CD2-CD1 3.99Å; L222-I225 WeakPolarHBondContact O-CG1 3.06Å; L222-I225 PolarHBondContact O-N 2.8Å; L222-I225 VanDerWaalsContact O-N 3.11Å; I225-T227 PolarHBondContact O-N 3.21Å; I225-R230 PolarHBondContact O-NH2 3.11Å
226K90.1Very high90.4Very high127 Ų12734.5 Ų34.555%0.55218%0.181SC*.  trans-65.5-34.9-175.4-170.2167.6-179.1172.40114L196 D197 Q224L196-K226 VanDerWaalsContact O-CB 3.29Å; L196-K226 WeakPolarHBondContact O-CB 3.08Å; L196-K226 PolarHBondContact O-N 3.06Å; D197-K226 HydrophobicContact CB-CD 4.11Å; D197-K226 WeakPolarHBondContact OD1-CD 3.38Å; D197-K226 WeakPolarHBondContact OD1-CE 3.47Å; D197-K226 IonicContact OD1-NZ 3.75Å; D197-K226 PolarHBondContact OD1-NZ 3.04Å; D197-K226 WeakPolarHBondContact OD2-CD 3.38Å; D197-K226 IonicContact OD2-NZ 3.48Å; D197-K226 PolarHBondContact OD2-NZ 2.79Å; Q224-K226 PolarHBondContact O-N 3.4Å
227T89.4Confident90.2Very high23 Ų2333.1 Ų33.114%0.14117%0.169CC..  trans-61.8129.9-178-66.80000113.2P200 D201 I225 R229 R230P200-T227 VanDerWaalsContact O-CB 3.25Å; P200-T227 WeakPolarHBondContact O-CB 3.41Å; P200-T227 WeakPolarHBondContact O-CG2 3.37Å; P200-T227 PolarHBondContact O-OG1 3.44Å; D201-T227 VanDerWaalsContact O-CG2 3.27Å; D201-T227 WeakPolarHBondContact O-CG2 3.44Å; I225-T227 PolarHBondContact O-N 3.21Å; T227-R229 HydrophobicContact CG2-CB 3.87Å; T227-R230 PolarHBondContact O-NE 3.38Å
228K86.2Confident89.9Confident104 Ų10431.9 Ų31.945%0.45216%0.155SC..  trans-95.2-7.1176-47.4-174.6-176.1177.70113.9A83 S85 G86 R230A83-K228 HydrophobicContact CB-CD 3.87Å; A83-K228 WeakPolarHBondContact O-CB 3.44Å; S85-K228 CarbonylContact C-O 3.6Å; G86-K228 PolarHBondContact N-O 3.02Å; K228-R230 PolarHBondContact O-N 2.9Å
229R92.2Very high89.1Confident33 Ų3330.9 Ų30.913%0.12515%0.15CC..  trans-72.875.4169.8-63.1-174.1-179.8106.64.9110.3T73 I80 S85 D201 V202 V203 T227T73-R229 WeakPolarHBondContact O-CD 3.33Å; T73-R229 PolarHBondContact O-NE 3.34Å; I80-R229 PolarHBondContact O-NH2 2.84Å; S85-R229 WeakPolarHBondContact O-CA 3.28Å; D201-R229 WeakPolarHBondContact O-CB 3.5Å; D201-R229 WeakPolarHBondContact O-CD 3.38Å; V202-R229 HydrophobicContact CG2-CB 4.29Å; V203-R229 PolarHBondContact N-O 3.11Å; T227-R229 HydrophobicContact CG2-CB 3.87Å
230R94.4Very high88.2Confident26 Ų2631.2 Ų31.210%0.09815%0.151CC..EExtended strand (participates in β ladder)trans-112.3116.9-174.2-63.2170.7-176.9-172.1-2.6109.7G86 C87 V203 I225 T227 K228 F251G86-R230 CarbonylContact C-O 3.57Å; G86-R230 WeakPolarHBondContact CA-O 3.29Å; C87-R230 PolarHBondContact N-O 3.48Å; V203-R230 HydrophobicContact CB-CG 4.5Å; V203-R230 CarbonylContact O-C 3.52Å; V203-R230 WeakPolarHBondContact O-CA 3.26Å; I225-R230 PolarHBondContact O-NH2 3.11Å; T227-R230 PolarHBondContact O-NE 3.38Å; K228-R230 PolarHBondContact O-N 2.9Å; R230-F251 HydrophobicContact CB-CE1 4.2Å; R230-F251 HydrophobicContact CB-CZ 4.49Å; R230-F251 WeakPolarHBondContact CD-O 3.24Å; R230-F251 HydrophobicContact CG-CE1 4.38Å; R230-F251 HydrophobicContact CG-CZ 4.18Å; R230-F251 PolarHBondContact NH1-O 2.76Å
231I96.3Very high87.8Confident1 Ų125.8 Ų25.81%0.00513%0.128CC..EExtended strand (participates in β ladder)trans-105.7117.7177.2-59170.8000108.1L69 T73 C87 Y104 V202 V203 I204 C205 L233L69-I231 HydrophobicContact CD2-CD1 4.24Å; L69-I231 HydrophobicContact CD2-CG1 4.42Å; L69-I231 HydrophobicContact CD2-CG2 3.69Å; T73-I231 HydrophobicContact CG2-CD1 4.02Å; T73-I231 HydrophobicContact CG2-CG1 3.89Å; C87-I231 WeakPolarHBondContact O-CA 3.5Å; Y104-I231 HydrophobicContact CD1-CD1 4.04Å; Y104-I231 HydrophobicContact CE1-CD1 3.55Å; V202-I231 HydrophobicContact CG1-CD1 4.09Å; V203-I231 PolarHBondContact O-N 3.42Å; I204-I231 CarbonylContact C-O 3.49Å; I204-I231 WeakPolarHBondContact CA-O 3.4Å; I204-I231 HydrophobicContact CG1-CB 3.97Å; I204-I231 HydrophobicContact CG1-CD1 4Å; I204-I231 HydrophobicContact CG1-CG1 4.44Å; C205-I231 PolarHBondContact N-O 3.11Å; I231-L233 HydrophobicContact CG2-CD2 3.66Å
232C95.7Very high87.6Confident0 Ų026 Ų260%013%0.13CC..EExtended strand (participates in β ladder)trans-100.4125.5172.6-76.80000110.2C87 I88 L89 A208 M248 V252C87-C232 PolarHBondContact O-N 3.13Å; I88-C232 CarbonylContact C-O 3.51Å; I88-C232 WeakPolarHBondContact CA-O 3.37Å; I88-C232 HydrophobicContact CG1-CB 4.15Å; I88-C232 HydrophobicContact CG2-CB 4.35Å; L89-C232 PolarHBondContact N-O 3.19Å; A208-C232 HydrophobicContact CB-CB 3.53Å; C232-M248 HydrophobicContact CB-CG 4.18Å; C232-M248 HydrophobicContact CB-SD 4.1Å; C232-V252 HydrophobicContact CB-CG2 4.04Å; C232-V252 WeakPolarHBondContact SG-CG2 3.37Å
233L95.2Very high87.3Confident0 Ų027.3 Ų27.30%014%0.135CC..EExtended strand (participates in β ladder)trans-105.9133.6175.3-43.2174000108.7L89 K97 V101 W131 I204 C205 D206 E207 A208 I231L89-L233 HydrophobicContact CB-CD2 3.89Å; L89-L233 HydrophobicContact CD2-CD2 3.96Å; K97-L233 HydrophobicContact CD-CB 4.32Å; V101-L233 HydrophobicContact CG2-CD1 3.82Å; V101-L233 HydrophobicContact CG2-CD2 3.63Å; V101-L233 HydrophobicContact CG2-CG 4.35Å; W131-L233 HydrophobicContact CH2-CD1 3.79Å; W131-L233 HydrophobicContact CZ2-CD1 3.72Å; I204-L233 HydrophobicContact CG2-CD1 3.77Å; I204-L233 HydrophobicContact CG2-CG 4.11Å; C205-L233 PolarHBondContact O-N 2.98Å; D206-L233 HydrophobicContact CB-CD1 4.28Å; E207-L233 WeakPolarHBondContact CA-O 3.35Å; E207-L233 PolarHBondContact N-O 2.95Å; E207-L233 VanDerWaalsContact N-O 3.14Å; A208-L233 PolarHBondContact N-O 3.25Å; I231-L233 HydrophobicContact CG2-CD2 3.66Å
234T91.6Very high87.2Confident0 Ų024.2 Ų24.20%011%0.112CC..  trans-154.6148.7173.2-1760000110.5I88 L89 A90 K97 T236 P237 M248I88-T234 HydrophobicContact CG2-CG2 4.31Å; L89-T234 PolarHBondContact O-N 3.3Å; A90-T234 CarbonylContact C-O 3.6Å; A90-T234 WeakPolarHBondContact CA-O 3.43Å; A90-T234 HydrophobicContact CB-CG2 4.35Å; K97-T234 WeakPolarHBondContact CE-O 3.24Å; K97-T234 PolarHBondContact NZ-O 2.94Å; T234-T236 PolarHBondContact OG1-N 3.08Å; T234-T236 PolarHBondContact OG1-O 3.06Å; T234-P237 HydrophobicContact CG2-CB 3.77Å; T234-M248 HydrophobicContact CG2-CE 4.34Å; T234-M248 HydrophobicContact CG2-SD 4.3Å
235G86Confident87.1Confident4 Ų420 Ų204%0.0419%0.092CC..SBendtrans-85.1-24.6164.200000113R304G235-R304 PolarHBondContact O-NH1 3.09Å; G235-R304 VanDerWaalsContact O-NH1 3.16Å
236T84.1Confident87.1Confident12 Ų1220.4 Ų20.47%0.0749%0.094CC..  trans-136.586.3-169.939.40000108.5T234 L238 T615 M618T234-T236 PolarHBondContact OG1-N 3.08Å; T234-T236 PolarHBondContact OG1-O 3.06Å; T236-L238 PolarHBondContact O-N 3.32Å; T236-T615 HydrophobicContact CG2-CG2 3.78Å; T236-T615 WeakPolarHBondContact OG1-CG2 3.29Å; T236-M618 HydrophobicContact CG2-SD 3.77Å
237P80.3Confident87.1Confident7 Ų714.5 Ų14.55%0.0457%0.068CC..SBendtrans-69-20.1-175.125.6-33.7000114.3A90 T234 Y245 M248 V663A90-P237 HydrophobicContact CB-CB 4.31Å; A90-P237 HydrophobicContact CB-CG 4.05Å; T234-P237 HydrophobicContact CG2-CB 3.77Å; P237-Y245 HydrophobicContact CB-CD2 4.11Å; P237-Y245 HydrophobicContact CB-CE2 3.77Å; P237-Y245 WeakPolarHBondContact O-CD2 3.41Å; P237-M248 HydrophobicContact CB-CE 3.87Å; P237-M248 WeakPolarHBondContact O-CE 3.19Å; P237-V663 HydrophobicContact CG-CB 4.29Å; P237-V663 HydrophobicContact CG-CG1 3.53Å; P237-V663 HydrophobicContact CG-CG2 3.73Å
238L82.1Confident87.2Confident5 Ų513.4 Ų13.43%0.0266%0.062CC..  trans-126.4131.5171.7-167156.6000107.2T236 L242 L658 A659T236-L238 PolarHBondContact O-N 3.32Å; L238-L242 HydrophobicContact CD1-CD2 3.54Å; L238-L242 HydrophobicContact CD1-CG 4.13Å; L238-L658 HydrophobicContact CD1-CD1 4.41Å; L238-L658 HydrophobicContact CD1-CG 4.03Å; L238-L658 HydrophobicContact CD2-CD2 4.3Å; L238-L658 HydrophobicContact CD2-CG 4.16Å; L238-A659 HydrophobicContact CB-CB 4.08Å; L238-A659 HydrophobicContact CD2-CB 4.1Å
239Q72.2Confident87.4Confident5 Ų58.5 Ų8.52%0.0234%0.041CC..SBendtrans-119.4-53177.5-57.1-169.5-26.600112.3H209 E244 T615H209-Q239 HydrophobicContact CB-CG 4.26Å; H209-Q239 VanDerWaalsContact CD2-CD 3.49Å; H209-Q239 PolarHBondContact CD2-NE2 2.96Å; H209-Q239 PolarHBondContact CE1-NE2 3.48Å; H209-Q239 PolarHBondContact ND1-NE2 2.89Å; H209-Q239 PolarHBondContact NE2-NE2 3.31Å; H209-Q239 VanDerWaalsContact NE2-NE2 3.1Å; Q239-E244 WeakPolarHBondContact CB-OE2 3.46Å; Q239-E244 PolarHBondContact N-OE2 3.47Å; Q239-T615 WeakPolarHBondContact CB-OG1 3.24Å; Q239-T615 HydrophobicContact CG-CG2 4.02Å; Q239-T615 WeakPolarHBondContact CG-OG1 3.43Å
240N71Confident87.4Confident16 Ų168.6 Ų8.69%0.0864%0.043CC..SBendtrans-112.5-46.3-177.5-61.4-46.6000112.3K212 E244 T448K212-N240 PolarHBondContact NZ-ND2 3.13Å; N240-E244 PolarHBondContact N-OE2 3.41Å; N240-E244 PolarHBondContact ND2-OE1 3.4Å; N240-T448 HydrophobicContact CB-CG2 3.94Å
241S82.3Confident87.2Confident7 Ų78 Ų85%0.0494%0.042CC..  trans-150.7161-172.772.80000113.3F243 E244 D450S241-F243 PolarHBondContact O-N 2.96Å; S241-F243 PolarHBondContact OG-N 2.93Å; S241-E244 PolarHBondContact O-N 3.38Å; S241-D450 WeakPolarHBondContact CB-OD2 3.32Å
242L86.8Confident87Confident6 Ų68.1 Ų8.13%0.0314%0.043CC..Hα-helixtrans-62.1-20.2174.1-72.9167.2000113L238 Y245 Y246 F263 V268 I271 L294 L658 V662L238-L242 HydrophobicContact CD1-CD2 3.54Å; L238-L242 HydrophobicContact CD1-CG 4.13Å; L242-Y245 PolarHBondContact O-N 3.1Å; L242-Y246 PolarHBondContact O-N 3.44Å; L242-F263 HydrophobicContact CB-CE1 4.21Å; L242-F263 HydrophobicContact CB-CZ 4.37Å; L242-V268 HydrophobicContact CB-CG2 3.96Å; L242-V268 HydrophobicContact CD1-CB 4.48Å; L242-V268 HydrophobicContact CD1-CG1 4.42Å; L242-V268 HydrophobicContact CD1-CG2 4.34Å; L242-I271 HydrophobicContact CD1-CB 4.17Å; L242-I271 HydrophobicContact CD1-CD1 4.23Å; L242-I271 HydrophobicContact CD1-CG2 4.01Å; L242-L294 HydrophobicContact CD2-CD2 4.37Å; L242-L658 HydrophobicContact CD1-CD1 4.04Å; L242-L658 HydrophobicContact CD2-CD1 4.09Å; L242-L658 HydrophobicContact CG-CD1 4.01Å; L242-L658 HydrophobicContact CG-CD2 4.38Å; L242-V662 HydrophobicContact CD2-CB 4.37Å; L242-V662 HydrophobicContact CD2-CG1 4.04Å; L242-V662 HydrophobicContact CD2-CG2 4.01Å
243F86.4Confident86.7Confident26 Ų268.8 Ų8.811%0.1145%0.045CC..Hα-helixtrans-70.2-36.5178.1-174.4-112.9000112.6N213 S241 Y245 Y246 C247 K260N213-F243 HydrophobicContact CB-CE1 4.44Å; S241-F243 PolarHBondContact O-N 2.96Å; S241-F243 PolarHBondContact OG-N 2.93Å; F243-Y245 PolarHBondContact O-N 3.36Å; F243-Y246 AromaticContact CD2-CD1 3.98Å; F243-Y246 HydrophobicContact CD2-CD1 3.98Å; F243-Y246 HydrophobicContact CD2-CG 4.48Å; F243-Y246 AromaticContact CE2-CD1 3.58Å; F243-Y246 HydrophobicContact CE2-CD1 3.58Å; F243-Y246 HydrophobicContact CE2-CE1 4.03Å; F243-Y246 HydrophobicContact CE2-CG 4.48Å; F243-Y246 PolarHBondContact O-N 3.23Å; F243-C247 WeakPolarHBondContact CZ-SG 3.22Å; F243-C247 PolarHBondContact O-N 3.31Å; F243-K260 HydrophobicContact CD2-CD 4.06Å; F243-K260 HydrophobicContact CD2-CG 4.17Å; F243-K260 HydrophobicContact CE2-CB 4.45Å; F243-K260 HydrophobicContact CE2-CD 3.3Å; F243-K260 HydrophobicContact CE2-CG 3.65Å; F243-K260 HydrophobicContact CZ-CD 3.69Å; F243-K260 HydrophobicContact CZ-CG 4.49Å
244E85.8Confident86.3Confident10 Ų1012.4 Ų12.45%0.0477%0.069CC..Hα-helixtrans-59.4-38.3173.1-56.2-176.7146.200110.7K212 Q239 N240 S241 C247 M248K212-E244 HydrophobicContact CB-CG 4.02Å; K212-E244 VanDerWaalsContact CD-OE1 3.24Å; K212-E244 WeakPolarHBondContact CD-OE1 3.49Å; K212-E244 WeakPolarHBondContact CE-OE1 3.47Å; K212-E244 HydrophobicContact CG-CG 4.13Å; K212-E244 WeakPolarHBondContact CG-OE1 3.45Å; K212-E244 VanDerWaalsContact NZ-CD 3.33Å; K212-E244 IonicContact NZ-OE1 3.31Å; K212-E244 PolarHBondContact NZ-OE1 3.45Å; K212-E244 IonicContact NZ-OE2 3.34Å; K212-E244 PolarHBondContact NZ-OE2 3.45Å; Q239-E244 WeakPolarHBondContact CB-OE2 3.46Å; Q239-E244 PolarHBondContact N-OE2 3.47Å; N240-E244 PolarHBondContact N-OE2 3.41Å; N240-E244 PolarHBondContact ND2-OE1 3.4Å; S241-E244 PolarHBondContact O-N 3.38Å; E244-C247 PolarHBondContact O-N 2.84Å; E244-M248 PolarHBondContact O-N 2.88Å
245Y88.8Confident86Confident5 Ų518.5 Ų18.52%0.0210%0.101CC..Hα-helixtrans-71.8-40.3178.5-166-134.4000112.4P237 L242 F243 C247 M248 V249 L298 V662P237-Y245 HydrophobicContact CB-CD2 4.11Å; P237-Y245 HydrophobicContact CB-CE2 3.77Å; P237-Y245 WeakPolarHBondContact O-CD2 3.41Å; L242-Y245 PolarHBondContact O-N 3.1Å; F243-Y245 PolarHBondContact O-N 3.36Å; Y245-C247 PolarHBondContact O-N 3.06Å; Y245-M248 HydrophobicContact CD2-CE 3.52Å; Y245-M248 HydrophobicContact CE2-CE 3.77Å; Y245-M248 PolarHBondContact O-N 3.34Å; Y245-V249 HydrophobicContact CE2-CG2 4.4Å; Y245-V249 WeakPolarHBondContact O-CG2 3.41Å; Y245-V249 PolarHBondContact O-N 3.36Å; Y245-L298 HydrophobicContact CD1-CD1 4.36Å; Y245-L298 HydrophobicContact CE1-CD1 3.35Å; Y245-V662 HydrophobicContact CD1-CG1 4.46Å; Y245-V662 HydrophobicContact CE1-CG1 4.22Å
246Y91.4Very high86Confident12 Ų1221 Ų215%0.04711%0.114CC..Hα-helixtrans-57.2-46.5170.3167.9-86.2000111.9L242 F243 M248 V249 N250 L257 G258 K260 F263L242-Y246 PolarHBondContact O-N 3.44Å; F243-Y246 AromaticContact CD2-CD1 3.98Å; F243-Y246 HydrophobicContact CD2-CD1 3.98Å; F243-Y246 HydrophobicContact CD2-CG 4.48Å; F243-Y246 AromaticContact CE2-CD1 3.58Å; F243-Y246 HydrophobicContact CE2-CD1 3.58Å; F243-Y246 HydrophobicContact CE2-CE1 4.03Å; F243-Y246 HydrophobicContact CE2-CG 4.48Å; F243-Y246 PolarHBondContact O-N 3.23Å; Y246-M248 PolarHBondContact O-N 3.2Å; Y246-V249 PolarHBondContact O-N 2.91Å; Y246-N250 HydrophobicContact CE1-CB 4.35Å; Y246-N250 VanDerWaalsContact O-CB 3.22Å; Y246-N250 WeakPolarHBondContact O-CB 3.45Å; Y246-N250 PolarHBondContact O-N 2.92Å; Y246-L257 HydrophobicContact CD2-CB 4.29Å; Y246-L257 HydrophobicContact CD2-CD1 4.32Å; Y246-L257 HydrophobicContact CE2-CB 4.38Å; Y246-G258 PolarHBondContact OH-O 2.79Å; Y246-K260 HydrophobicContact CE1-CB 4.28Å; Y246-K260 PolarHBondContact OH-N 2.61Å; Y246-F263 HydrophobicContact CD2-CB 3.76Å; Y246-F263 AromaticContact CD2-CD1 3.74Å; Y246-F263 HydrophobicContact CD2-CD1 3.74Å; Y246-F263 HydrophobicContact CD2-CD2 4.01Å; Y246-F263 HydrophobicContact CD2-CE1 4.36Å; Y246-F263 AromaticContact CD2-CG 3.53Å; Y246-F263 HydrophobicContact CD2-CG 3.53Å; Y246-F263 HydrophobicContact CE2-CB 3.94Å; Y246-F263 HydrophobicContact CE2-CG 4.23Å; Y246-F263 AromaticContact CG-CD1 3.96Å; Y246-F263 HydrophobicContact CG-CD1 3.96Å; Y246-F263 HydrophobicContact CG-CE1 4.33Å; Y246-F263 HydrophobicContact CG-CG 4.24Å
247C90.6Very high86.2Confident2 Ų221 Ų211%0.01411%0.113CC..Hα-helixtrans-59.3-45.5178.1-76.90000111.9L211 D214 F243 E244 Y245 N250 F251L211-C247 WeakPolarHBondContact O-CB 3.35Å; D214-C247 VanDerWaalsContact CG-SG 3.52Å; D214-C247 PolarHBondContact N-SG 3.03Å; D214-C247 PolarHBondContact OD1-SG 3.25Å; F243-C247 WeakPolarHBondContact CZ-SG 3.22Å; F243-C247 PolarHBondContact O-N 3.31Å; E244-C247 PolarHBondContact O-N 2.84Å; Y245-C247 PolarHBondContact O-N 3.06Å; C247-N250 PolarHBondContact O-N 3.02Å; C247-F251 WeakPolarHBondContact O-CB 3.3Å; C247-F251 PolarHBondContact O-N 3.15Å
248M91.1Very high86.5Confident1 Ų121.9 Ų21.91%0.00512%0.123CC..Hα-helixtrans-64.2-43.9176.2-176.1174.646.800112.2I88 A208 C232 T234 P237 E244 Y245 Y246 F251 V252I88-M248 HydrophobicContact CD1-CE 4.13Å; I88-M248 HydrophobicContact CD1-CG 3.84Å; I88-M248 HydrophobicContact CD1-SD 4.2Å; I88-M248 HydrophobicContact CG1-CG 4.43Å; I88-M248 HydrophobicContact CG2-CE 4.16Å; I88-M248 HydrophobicContact CG2-SD 3.99Å; A208-M248 HydrophobicContact CB-CG 4.42Å; A208-M248 HydrophobicContact CB-SD 3.73Å; C232-M248 HydrophobicContact CB-CG 4.18Å; C232-M248 HydrophobicContact CB-SD 4.1Å; T234-M248 HydrophobicContact CG2-CE 4.34Å; T234-M248 HydrophobicContact CG2-SD 4.3Å; P237-M248 HydrophobicContact CB-CE 3.87Å; P237-M248 WeakPolarHBondContact O-CE 3.19Å; E244-M248 PolarHBondContact O-N 2.88Å; Y245-M248 HydrophobicContact CD2-CE 3.52Å; Y245-M248 HydrophobicContact CE2-CE 3.77Å; Y245-M248 PolarHBondContact O-N 3.34Å; Y246-M248 PolarHBondContact O-N 3.2Å; M248-F251 PolarHBondContact O-N 3.24Å; M248-V252 WeakPolarHBondContact O-CG2 3.35Å; M248-V252 PolarHBondContact O-N 3.17Å
249V91.6Very high86.8Confident1 Ų125.8 Ų25.81%0.00615%0.147CC..Hα-helixtrans-63.8-44.5176.9169.20000111.4I88 Y245 Y246 F251 V252 K253 L256 L257 L298 F301I88-V249 HydrophobicContact CD1-CG2 3.88Å; Y245-V249 HydrophobicContact CE2-CG2 4.4Å; Y245-V249 WeakPolarHBondContact O-CG2 3.41Å; Y245-V249 PolarHBondContact O-N 3.36Å; Y246-V249 PolarHBondContact O-N 2.91Å; V249-F251 VanDerWaalsContact C-N 3.33Å; V249-F251 PolarHBondContact O-N 3.25Å; V249-V252 PolarHBondContact O-N 2.64Å; V249-V252 VanDerWaalsContact O-N 3.15Å; V249-K253 PolarHBondContact O-N 3.49Å; V249-L256 HydrophobicContact CG1-CD2 4.48Å; V249-L257 HydrophobicContact CB-CD1 4.09Å; V249-L257 HydrophobicContact CG1-CD1 3.67Å; V249-L257 HydrophobicContact CG1-CG 4.02Å; V249-L298 HydrophobicContact CG1-CD2 4.05Å; V249-L298 HydrophobicContact CG2-CD2 3.81Å; V249-F301 HydrophobicContact CG1-CE2 4.07Å; V249-F301 HydrophobicContact CG1-CZ 3.77Å; V249-F301 HydrophobicContact CG2-CE2 4.39Å; V249-F301 HydrophobicContact CG2-CZ 4.44Å
250N91.5Very high87.6Confident34 Ų3429.7 Ų29.718%0.18216%0.164CC..Hα-helixtrans-66.8-32.8179.1-170.947.6000112.1Y246 C247 V252 K253 P254 N255Y246-N250 HydrophobicContact CE1-CB 4.35Å; Y246-N250 VanDerWaalsContact O-CB 3.22Å; Y246-N250 WeakPolarHBondContact O-CB 3.45Å; Y246-N250 PolarHBondContact O-N 2.92Å; C247-N250 PolarHBondContact O-N 3.02Å; N250-V252 VanDerWaalsContact C-N 3.34Å; N250-K253 CarbonylContact O-C 3.5Å; N250-P254 WeakPolarHBondContact O-CA 3.15Å; N250-P254 WeakPolarHBondContact OD1-CA 3.36Å; N250-N255 PolarHBondContact OD1-N 2.94Å
251F90.9Very high88.5Confident15 Ų1537.7 Ų37.77%0.06620%0.198CC..Hα-helixtrans-64.4-37.8171.3174.3-109.7000112.4L211 L222 R230 C247 M248 V249L211-F251 HydrophobicContact CD1-CB 4.49Å; L211-F251 HydrophobicContact CD1-CD1 3.71Å; L211-F251 HydrophobicContact CD1-CE1 4.11Å; L211-F251 HydrophobicContact CD1-CG 4.07Å; L222-F251 HydrophobicContact CB-CD2 4.4Å; L222-F251 HydrophobicContact CB-CE2 3.69Å; L222-F251 HydrophobicContact CB-CZ 4.18Å; R230-F251 HydrophobicContact CB-CE1 4.2Å; R230-F251 HydrophobicContact CB-CZ 4.49Å; R230-F251 WeakPolarHBondContact CD-O 3.24Å; R230-F251 HydrophobicContact CG-CE1 4.38Å; R230-F251 HydrophobicContact CG-CZ 4.18Å; R230-F251 PolarHBondContact NH1-O 2.76Å; C247-F251 WeakPolarHBondContact O-CB 3.3Å; C247-F251 PolarHBondContact O-N 3.15Å; M248-F251 PolarHBondContact O-N 3.24Å; V249-F251 VanDerWaalsContact C-N 3.33Å; V249-F251 PolarHBondContact O-N 3.25Å
252V91.6Very high88.8Confident3 Ų340.1 Ų40.12%0.01821%0.211CC..Hα-helixtrans-83-42.3-177.81760000112.3C87 I88 C232 M248 V249 N250 F301C87-V252 VanDerWaalsContact N-CG1 3.26Å; I88-V252 HydrophobicContact CD1-CG2 4.47Å; I88-V252 HydrophobicContact CG1-CB 4.44Å; I88-V252 HydrophobicContact CG1-CG1 4.38Å; I88-V252 HydrophobicContact CG1-CG2 3.97Å; C232-V252 HydrophobicContact CB-CG2 4.04Å; C232-V252 WeakPolarHBondContact SG-CG2 3.37Å; M248-V252 WeakPolarHBondContact O-CG2 3.35Å; M248-V252 PolarHBondContact O-N 3.17Å; V249-V252 PolarHBondContact O-N 2.64Å; V249-V252 VanDerWaalsContact O-N 3.15Å; N250-V252 VanDerWaalsContact C-N 3.34Å; V252-F301 HydrophobicContact CG1-CD2 4.23Å
253K89.5Confident89Confident14 Ų1439.9 Ų39.96%0.06121%0.209CC..SBendtrans-135.890177.2-66.7-164.8178.4-167.40109.9E2 R5 S85 G86 V249 N250 L256 F301E2-K253 IonicContact OE1-NZ 2.67Å; E2-K253 PolarHBondContact OE1-NZ 3.16Å; E2-K253 IonicContact OE2-NZ 3.68Å; E2-K253 PolarHBondContact OE2-NZ 3.31Å; R5-K253 VanDerWaalsContact NH2-NZ 3.13Å; S85-K253 VanDerWaalsContact OG-CE 3.29Å; S85-K253 WeakPolarHBondContact OG-CE 3.4Å; G86-K253 WeakPolarHBondContact O-CE 3.39Å; V249-K253 PolarHBondContact O-N 3.49Å; N250-K253 CarbonylContact O-C 3.5Å; K253-L256 HydrophobicContact CB-CB 4.12Å; K253-L256 HydrophobicContact CB-CD2 4.16Å; K253-L256 HydrophobicContact CD-CD2 4.19Å; K253-L256 WeakPolarHBondContact O-CB 3.17Å; K253-L256 PolarHBondContact O-N 3.03Å; K253-F301 HydrophobicContact CD-CB 4.31Å; K253-F301 HydrophobicContact CD-CD1 3.94Å; K253-F301 HydrophobicContact CD-CD2 4Å; K253-F301 HydrophobicContact CD-CE1 4.29Å; K253-F301 HydrophobicContact CD-CE2 4.34Å; K253-F301 HydrophobicContact CD-CG 3.79Å; K253-F301 HydrophobicContact CD-CZ 4.47Å; K253-F301 HydrophobicContact CG-CD2 4.28Å; K253-F301 HydrophobicContact CG-CE2 4.44Å
254P87.5Confident89.3Confident76 Ų7640.6 Ų40.649%0.49422%0.215SC..THydrogen-bonded Turntrans-61.5141.9-175.223.3-33.6000112.4N250 L256N250-P254 WeakPolarHBondContact O-CA 3.15Å; N250-P254 WeakPolarHBondContact OD1-CA 3.36Å; P254-L256 PolarHBondContact O-N 3.37Å
255N84.4Confident89.5Confident127 Ų12743.4 Ų43.468%0.67924%0.235SC*.THydrogen-bonded Turntrans61.69-179.6-58.5-26.1000116.3N250 L257 G258N250-N255 PolarHBondContact OD1-N 2.94Å; N255-L257 VanDerWaalsContact C-N 3.34Å; N255-L257 PolarHBondContact O-N 3.31Å; N255-G258 PolarHBondContact O-N 3.28Å
256L86.5Confident89.6Confident57 Ų5744.1 Ų44.130%0.29824%0.24SC..THydrogen-bonded Turntrans-61.5-40.7-179.1-178.967.1000113.1V249 K253 P254 G258 F301V249-L256 HydrophobicContact CG1-CD2 4.48Å; K253-L256 HydrophobicContact CB-CB 4.12Å; K253-L256 HydrophobicContact CB-CD2 4.16Å; K253-L256 HydrophobicContact CD-CD2 4.19Å; K253-L256 WeakPolarHBondContact O-CB 3.17Å; K253-L256 PolarHBondContact O-N 3.03Å; P254-L256 PolarHBondContact O-N 3.37Å; L256-G258 VanDerWaalsContact C-N 3.35Å; L256-F301 HydrophobicContact CD2-CD1 4.22Å; L256-F301 HydrophobicContact CD2-CE1 3.27Å; L256-F301 HydrophobicContact CD2-CE2 4.49Å; L256-F301 HydrophobicContact CD2-CZ 3.43Å; L256-F301 VanDerWaalsContact CD2-CZ 3.43Å
257L87.4Confident89.7Confident12 Ų1243.7 Ų43.76%0.06324%0.238CC..THydrogen-bonded Turntrans-93.910.7-180-61.3175.8000112.8Y246 V249 N255 F263 L294Y246-L257 HydrophobicContact CD2-CB 4.29Å; Y246-L257 HydrophobicContact CD2-CD1 4.32Å; Y246-L257 HydrophobicContact CE2-CB 4.38Å; V249-L257 HydrophobicContact CB-CD1 4.09Å; V249-L257 HydrophobicContact CG1-CD1 3.67Å; V249-L257 HydrophobicContact CG1-CG 4.02Å; N255-L257 VanDerWaalsContact C-N 3.34Å; N255-L257 PolarHBondContact O-N 3.31Å; L257-F263 HydrophobicContact CB-CD2 4.05Å; L257-F263 HydrophobicContact CD1-CD2 4.01Å; L257-F263 HydrophobicContact CD1-CE2 3.83Å; L257-L294 HydrophobicContact CD2-CD1 4.14Å
258G86.6Confident89.7Confident25 Ų2544.3 Ų44.326%0.25824%0.242SC..  trans75.8-153.5-171.800000112.9Y246 N255 L256Y246-G258 PolarHBondContact OH-O 2.79Å; N255-G258 PolarHBondContact O-N 3.28Å; L256-G258 VanDerWaalsContact C-N 3.35Å
259T89.2Confident89.7Confident87 Ų8749 Ų4953%0.53426%0.264SS..  trans-87.1159.2179.563.70000111.7K261 N262 F263T259-K261 VanDerWaalsContact C-N 3.29Å; T259-K261 PolarHBondContact O-N 3.22Å; T259-N262 PolarHBondContact O-N 3.29Å; T259-F263 PolarHBondContact O-N 3.47Å
260K88.5Confident89.8Confident87 Ų8750.1 Ų50.138%0.37827%0.271SS..Hα-helixtrans-49.1-46.1176.8178.7176.3-178.5162.10113.1F243 Y246 N262 F263 N264F243-K260 HydrophobicContact CD2-CD 4.06Å; F243-K260 HydrophobicContact CD2-CG 4.17Å; F243-K260 HydrophobicContact CE2-CB 4.45Å; F243-K260 HydrophobicContact CE2-CD 3.3Å; F243-K260 HydrophobicContact CE2-CG 3.65Å; F243-K260 HydrophobicContact CZ-CD 3.69Å; F243-K260 HydrophobicContact CZ-CG 4.49Å; Y246-K260 HydrophobicContact CE1-CB 4.28Å; Y246-K260 PolarHBondContact OH-N 2.61Å; K260-N262 PolarHBondContact O-N 3.02Å; K260-F263 PolarHBondContact O-N 2.89Å; K260-N264 PolarHBondContact O-N 3.2Å; K260-N264 PolarHBondContact O-OD1 3.3Å
261K89.3Confident89.8Confident184 Ų18448.5 Ų48.580%0.826%0.263SS*.Hα-helixtrans-61.5-44178.7-70.2-165.3174.9-165.20111.9T259 N264 S265T259-K261 VanDerWaalsContact C-N 3.29Å; T259-K261 PolarHBondContact O-N 3.22Å; K261-N264 PolarHBondContact O-N 3.33Å; K261-S265 PolarHBondContact O-N 2.96Å; K261-S265 PolarHBondContact O-OG 2.93Å
262N89Confident89.7Confident59 Ų5951.6 Ų51.632%0.31627%0.274SS..Hα-helixtrans-69.7-37.7179.7-161.658.7000112.1T259 K260 N264 S265 T266T259-N262 PolarHBondContact O-N 3.29Å; K260-N262 PolarHBondContact O-N 3.02Å; N262-N264 VanDerWaalsContact C-N 3.34Å; N262-S265 PolarHBondContact O-OG 2.98Å; N262-T266 WeakPolarHBondContact O-CB 3.33Å; N262-T266 PolarHBondContact O-N 2.89Å; N262-T266 PolarHBondContact O-OG1 3.4Å
263F91.9Very high89.5Confident0 Ų055.2 Ų55.20%029%0.293CS..Hα-helixtrans-63.2-40.7174179.4-102.4000111.7L242 Y246 L257 T259 K260 F267 V268 L294L242-F263 HydrophobicContact CB-CE1 4.21Å; L242-F263 HydrophobicContact CB-CZ 4.37Å; Y246-F263 HydrophobicContact CD2-CB 3.76Å; Y246-F263 AromaticContact CD2-CD1 3.74Å; Y246-F263 HydrophobicContact CD2-CD1 3.74Å; Y246-F263 HydrophobicContact CD2-CD2 4.01Å; Y246-F263 HydrophobicContact CD2-CE1 4.36Å; Y246-F263 AromaticContact CD2-CG 3.53Å; Y246-F263 HydrophobicContact CD2-CG 3.53Å; Y246-F263 HydrophobicContact CE2-CB 3.94Å; Y246-F263 HydrophobicContact CE2-CG 4.23Å; Y246-F263 AromaticContact CG-CD1 3.96Å; Y246-F263 HydrophobicContact CG-CD1 3.96Å; Y246-F263 HydrophobicContact CG-CE1 4.33Å; Y246-F263 HydrophobicContact CG-CG 4.24Å; L257-F263 HydrophobicContact CB-CD2 4.05Å; L257-F263 HydrophobicContact CD1-CD2 4.01Å; L257-F263 HydrophobicContact CD1-CE2 3.83Å; T259-F263 PolarHBondContact O-N 3.47Å; K260-F263 PolarHBondContact O-N 2.89Å; F263-F267 HydrophobicContact CD2-CB 4.31Å; F263-F267 AromaticContact CD2-CD2 3.54Å; F263-F267 HydrophobicContact CD2-CD2 3.54Å; F263-F267 HydrophobicContact CD2-CE2 4.29Å; F263-F267 HydrophobicContact CD2-CG 4.29Å; F263-F267 HydrophobicContact CE2-CB 3.97Å; F263-F267 AromaticContact CE2-CD2 3.72Å; F263-F267 HydrophobicContact CE2-CD2 3.72Å; F263-F267 HydrophobicContact CE2-CG 4.08Å; F263-F267 HydrophobicContact CG-CD2 4.49Å; F263-F267 HydrophobicContact CZ-CB 4.32Å; F263-F267 PolarHBondContact O-N 3.22Å; F263-V268 HydrophobicContact CD1-CG2 3.63Å; F263-V268 HydrophobicContact CE1-CG2 3.37Å; F263-V268 HydrophobicContact CZ-CG2 4.21Å; F263-V268 PolarHBondContact O-N 3.39Å; F263-L294 HydrophobicContact CE2-CD1 4.07Å; F263-L294 HydrophobicContact CE2-CD2 4.4Å; F263-L294 HydrophobicContact CZ-CD2 4.47Å
264N91.6Very high89.5Confident42 Ų4254.6 Ų54.623%0.22529%0.291CS..Iπ-helixtrans-60.1-53.7176.4-8217.3000112K260 K261 N262 V268 H269K260-N264 PolarHBondContact O-N 3.2Å; K260-N264 PolarHBondContact O-OD1 3.3Å; K261-N264 PolarHBondContact O-N 3.33Å; N262-N264 VanDerWaalsContact C-N 3.34Å; N264-V268 PolarHBondContact O-N 3.16Å; N264-H269 VanDerWaalsContact C-CD2 3.46Å; N264-H269 PolarHBondContact O-CD2 3.26Å; N264-H269 PolarHBondContact O-N 3.04Å
265S90.5Very high89.4Confident68 Ų6851.7 Ų51.748%0.47627%0.271SS..Iπ-helixtrans-66.2-39.2179.9530000113.4K261 N262 P270K261-S265 PolarHBondContact O-N 2.96Å; K261-S265 PolarHBondContact O-OG 2.93Å; N262-S265 PolarHBondContact O-OG 2.98Å; S265-P270 VanDerWaalsContact O-CD 3.3Å; S265-P270 WeakPolarHBondContact O-CD 3.43Å; S265-P270 WeakPolarHBondContact O-CG 3.32Å
266T90.8Very high89.6Confident21 Ų2147.5 Ų47.513%0.12925%0.247CC..Iπ-helixtrans-76.2-36.6-176.4-51.60000112.7N262 R290 Y732N262-T266 WeakPolarHBondContact O-CB 3.33Å; N262-T266 PolarHBondContact O-N 2.89Å; N262-T266 PolarHBondContact O-OG1 3.4Å; T266-R290 VanDerWaalsContact O-CD 3.26Å; T266-R290 WeakPolarHBondContact O-CD 3.41Å; T266-R290 PolarHBondContact O-NE 3.39Å; T266-Y732 HydrophobicContact CG2-CD2 4.3Å; T266-Y732 HydrophobicContact CG2-CE2 4.01Å
267F92.9Very high89.6Confident2 Ų247.2 Ų47.21%0.00925%0.25CS..Iπ-helixtrans-125.5-50.9-171.1-61.5-74.4000113.5F263 I271 R290 V293 L294 L297 Y732F263-F267 HydrophobicContact CD2-CB 4.31Å; F263-F267 AromaticContact CD2-CD2 3.54Å; F263-F267 HydrophobicContact CD2-CD2 3.54Å; F263-F267 HydrophobicContact CD2-CE2 4.29Å; F263-F267 HydrophobicContact CD2-CG 4.29Å; F263-F267 HydrophobicContact CE2-CB 3.97Å; F263-F267 AromaticContact CE2-CD2 3.72Å; F263-F267 HydrophobicContact CE2-CD2 3.72Å; F263-F267 HydrophobicContact CE2-CG 4.08Å; F263-F267 HydrophobicContact CG-CD2 4.49Å; F263-F267 HydrophobicContact CZ-CB 4.32Å; F263-F267 PolarHBondContact O-N 3.22Å; F267-I271 HydrophobicContact CB-CD1 4.28Å; F267-I271 WeakPolarHBondContact O-CB 3.35Å; F267-I271 WeakPolarHBondContact O-CD1 3.23Å; F267-I271 WeakPolarHBondContact O-CG1 3.25Å; F267-I271 PolarHBondContact O-N 3.42Å; F267-R290 HydrophobicContact CD1-CB 4.4Å; F267-V293 HydrophobicContact CE1-CB 4.49Å; F267-V293 HydrophobicContact CE1-CG1 4.01Å; F267-V293 HydrophobicContact CZ-CG1 4.3Å; F267-L294 HydrophobicContact CB-CD2 4.38Å; F267-L294 HydrophobicContact CD1-CB 3.8Å; F267-L294 HydrophobicContact CD1-CD1 4.31Å; F267-L294 HydrophobicContact CD1-CD2 4.28Å; F267-L294 HydrophobicContact CD1-CG 4.36Å; F267-L294 HydrophobicContact CE1-CB 3.84Å; F267-L294 HydrophobicContact CE1-CD1 4.33Å; F267-L294 HydrophobicContact CG-CD1 4.42Å; F267-L294 HydrophobicContact CG-CD2 4.39Å; F267-L294 HydrophobicContact CZ-CD1 4.46Å; F267-L297 HydrophobicContact CE1-CD1 4.44Å; F267-L297 HydrophobicContact CZ-CD1 3.73Å; F267-Y732 HydrophobicContact CE2-CE2 4.43Å; F267-Y732 HydrophobicContact CZ-CD2 4.45Å; F267-Y732 AromaticContact CZ-CE2 3.82Å; F267-Y732 HydrophobicContact CZ-CE2 3.82Å
268V91.7Very high89.6Confident16 Ų1651.2 Ų51.210%0.09727%0.271CS..Iπ-helixtrans-66.5-52.8-169.6-173.50000112.3L242 F263 N264 I271 R272L242-V268 HydrophobicContact CB-CG2 3.96Å; L242-V268 HydrophobicContact CD1-CB 4.48Å; L242-V268 HydrophobicContact CD1-CG1 4.42Å; L242-V268 HydrophobicContact CD1-CG2 4.34Å; F263-V268 HydrophobicContact CD1-CG2 3.63Å; F263-V268 HydrophobicContact CE1-CG2 3.37Å; F263-V268 HydrophobicContact CZ-CG2 4.21Å; F263-V268 PolarHBondContact O-N 3.39Å; N264-V268 PolarHBondContact O-N 3.16Å; V268-I271 PolarHBondContact O-N 3.43Å; V268-R272 VanDerWaalsContact O-CB 3.25Å; V268-R272 WeakPolarHBondContact O-CB 3.38Å; V268-R272 PolarHBondContact O-N 3.4Å
269H91.4Very high89.8Confident98 Ų9850.7 Ų50.745%0.45426%0.264SS..Hα-helixtrans-64.4-49-179.6-60.1-73.5000112N264 I271 R272 N273N264-H269 VanDerWaalsContact C-CD2 3.46Å; N264-H269 PolarHBondContact O-CD2 3.26Å; N264-H269 PolarHBondContact O-N 3.04Å; H269-I271 VanDerWaalsContact C-N 3.31Å; H269-I271 PolarHBondContact O-N 2.71Å; H269-R272 PolarHBondContact O-N 3.26Å; H269-N273 WeakPolarHBondContact O-CB 3.42Å; H269-N273 VanDerWaalsContact O-CG 3.32Å; H269-N273 PolarHBondContact O-N 2.99Å; H269-N273 PolarHBondContact O-OD1 3.19Å
270P92.1Very high89.9Confident25 Ų2549.3 Ų49.316%0.16226%0.256CS..Hα-helixtrans-62.4-34.8178.7-23.434.5000113.8S265 V286 R290S265-P270 VanDerWaalsContact O-CD 3.3Å; S265-P270 WeakPolarHBondContact O-CD 3.43Å; S265-P270 WeakPolarHBondContact O-CG 3.32Å; P270-V286 HydrophobicContact CB-CG1 3.85Å; P270-R290 HydrophobicContact CB-CG 3.99Å
271I91.7Very high90.1Very high1 Ų150.6 Ų50.61%0.00527%0.273CS..Hα-helixtrans-73.5-38176.9-68.1169.4000111.3L242 F267 V268 H269 Q275 M287 R290 L294 L658 V662L242-I271 HydrophobicContact CD1-CB 4.17Å; L242-I271 HydrophobicContact CD1-CD1 4.23Å; L242-I271 HydrophobicContact CD1-CG2 4.01Å; F267-I271 HydrophobicContact CB-CD1 4.28Å; F267-I271 WeakPolarHBondContact O-CB 3.35Å; F267-I271 WeakPolarHBondContact O-CD1 3.23Å; F267-I271 WeakPolarHBondContact O-CG1 3.25Å; F267-I271 PolarHBondContact O-N 3.42Å; V268-I271 PolarHBondContact O-N 3.43Å; H269-I271 VanDerWaalsContact C-N 3.31Å; H269-I271 PolarHBondContact O-N 2.71Å; I271-Q275 WeakPolarHBondContact O-CG 3.37Å; I271-Q275 PolarHBondContact O-NE2 2.86Å; I271-M287 HydrophobicContact CG2-CG 4.39Å; I271-R290 HydrophobicContact CD1-CB 4.31Å; I271-R290 HydrophobicContact CG1-CB 4Å; I271-L294 HydrophobicContact CD1-CD2 4.25Å; I271-L658 HydrophobicContact CG2-CD1 3.77Å; I271-V662 HydrophobicContact CD1-CG2 4.27Å
272R88.6Confident90.2Very high79 Ų7946.1 Ų46.130%0.29826%0.261SS..Hα-helixtrans-67.4-43.1176.6-176.2172.6173.3176-6.6111.7V268 H269 G274 Q275 D450V268-R272 VanDerWaalsContact O-CB 3.25Å; V268-R272 WeakPolarHBondContact O-CB 3.38Å; V268-R272 PolarHBondContact O-N 3.4Å; H269-R272 PolarHBondContact O-N 3.26Å; R272-G274 VanDerWaalsContact C-N 3.3Å; R272-G274 PolarHBondContact O-N 3.46Å; R272-Q275 WeakPolarHBondContact O-CB 3.18Å; R272-Q275 PolarHBondContact O-N 3.33Å; R272-D450 IonicContact CZ-OD1 2.97Å; R272-D450 IonicContact NH1-OD1 3.71Å; R272-D450 PolarHBondContact NH1-OD1 2.92Å
273N88.9Confident90.3Very high80 Ų8046.2 Ų46.243%0.42826%0.26SS..Hα-helixtrans-64.4-30.9-177.9-73.527.8000113.3H269 S279 E283H269-N273 WeakPolarHBondContact O-CB 3.42Å; H269-N273 VanDerWaalsContact O-CG 3.32Å; H269-N273 PolarHBondContact O-N 2.99Å; H269-N273 PolarHBondContact O-OD1 3.19Å; N273-S279 VanDerWaalsContact O-CB 3.24Å; N273-S279 WeakPolarHBondContact O-CB 3.45Å; N273-S279 PolarHBondContact O-OG 3.49Å; N273-E283 HydrophobicContact CB-CG 4.35Å
274G88.8Confident90.3Very high0 Ų047 Ų470%026%0.264CS..THydrogen-bonded Turntrans-880.8177.400000115.8R272 M287 R670R272-G274 VanDerWaalsContact C-N 3.3Å; R272-G274 PolarHBondContact O-N 3.46Å; G274-M287 WeakPolarHBondContact O-CE 3.16Å; G274-R670 WeakPolarHBondContact O-CD 3.12Å
275Q86.4Confident90.2Very high16 Ų1649.8 Ų49.88%0.07527%0.271CS..SBendtrans-77.1-28.7-172.3-92.2165.329.900115.2I271 R272 M287 L658 R670I271-Q275 WeakPolarHBondContact O-CG 3.37Å; I271-Q275 PolarHBondContact O-NE2 2.86Å; R272-Q275 WeakPolarHBondContact O-CB 3.18Å; R272-Q275 PolarHBondContact O-N 3.33Å; Q275-M287 HydrophobicContact CG-SD 4.23Å; Q275-L658 VanDerWaalsContact NE2-CD1 3.25Å; Q275-R670 WeakPolarHBondContact O-CG 3.39Å
276M86.8Confident90.3Very high38 Ų3849.6 Ų49.619%0.18727%0.267CS..SBendtrans-89.7161.9-165.3-42.2-55-92.200110.8D278 S279 R670 F672 L677M276-D278 VanDerWaalsContact C-N 3.3Å; M276-D278 WeakPolarHBondContact CB-OD1 3.47Å; M276-D278 PolarHBondContact O-N 3.46Å; M276-S279 PolarHBondContact N-OG 3.18Å; M276-S279 VanDerWaalsContact N-OG 3.08Å; M276-S279 WeakPolarHBondContact O-CB 3.18Å; M276-S279 PolarHBondContact O-N 2.92Å; M276-S279 PolarHBondContact O-OG 2.89Å; M276-S279 VanDerWaalsContact O-OG 3.09Å; M276-R670 WeakPolarHBondContact O-CD 3.42Å; M276-R670 PolarHBondContact O-NH1 3.16Å; M276-F672 WeakPolarHBondContact CA-O 3.35Å; M276-L677 HydrophobicContact CE-CB 4.48Å; M276-L677 HydrophobicContact CE-CD1 3.9Å
277S86.6Confident90.4Very high52 Ų5248.8 Ų48.836%0.36426%0.262SS..THydrogen-bonded Turntrans-67.5-32.9179.362.50000112.3R670 F672 S673S277-R670 WeakPolarHBondContact CB-O 3.32Å; S277-R670 PolarHBondContact O-NH1 3.27Å; S277-F672 PolarHBondContact N-O 2.79Å; S277-F672 VanDerWaalsContact OG-C 3.27Å; S277-F672 PolarHBondContact OG-O 3.48Å; S277-S673 VanDerWaalsContact OG-CA 3.23Å; S277-S673 WeakPolarHBondContact OG-CA 2.95Å; S277-S673 PolarHBondContact OG-N 2.81Å; S277-S673 VanDerWaalsContact OG-N 3.14Å
278D89.1Confident90.3Very high95 Ų9549.8 Ų49.851%0.50827%0.267SS..THydrogen-bonded Turntrans-79.3-7.4177.156.6-36.5000114.5M276 S673 G674M276-D278 VanDerWaalsContact C-N 3.3Å; M276-D278 WeakPolarHBondContact CB-OD1 3.47Å; M276-D278 PolarHBondContact O-N 3.46Å; D278-S673 VanDerWaalsContact CG-OG 3.31Å; D278-S673 WeakPolarHBondContact OD1-CA 3.46Å; D278-S673 PolarHBondContact OD1-OG 3.15Å; D278-S673 PolarHBondContact OD2-OG 3.39Å; D278-G674 PolarHBondContact OD1-N 3.29Å; D278-G674 PolarHBondContact OD2-N 3.01Å
279S89.3Confident90.3Very high14 Ų1450 Ų5010%0.09827%0.266CS..  trans-58.9137.6175.7-58.30000112.8N273 M276 R670N273-S279 VanDerWaalsContact O-CB 3.24Å; N273-S279 WeakPolarHBondContact O-CB 3.45Å; N273-S279 PolarHBondContact O-OG 3.49Å; M276-S279 PolarHBondContact N-OG 3.18Å; M276-S279 VanDerWaalsContact N-OG 3.08Å; M276-S279 WeakPolarHBondContact O-CB 3.18Å; M276-S279 PolarHBondContact O-N 2.92Å; M276-S279 PolarHBondContact O-OG 2.89Å; M276-S279 VanDerWaalsContact O-OG 3.09Å; S279-R670 PolarHBondContact O-NH1 3.3Å
280T92.5Very high90.4Very high59 Ų5947 Ų4736%0.36225%0.25SS..  trans-65152.3179.863.80000112.2T282 E283 V284T280-T282 PolarHBondContact O-N 2.72Å; T280-T282 VanDerWaalsContact O-N 3.12Å; T280-T282 PolarHBondContact OG1-OG1 2.75Å; T280-E283 WeakPolarHBondContact CB-OE2 3.48Å; T280-E283 WeakPolarHBondContact CG2-OE2 3.27Å; T280-E283 PolarHBondContact N-OE2 2.8Å; T280-E283 PolarHBondContact O-N 3.16Å; T280-E283 VanDerWaalsContact OG1-CD 3.26Å; T280-E283 VanDerWaalsContact OG1-CG 3.22Å; T280-E283 WeakPolarHBondContact OG1-CG 3.42Å; T280-E283 PolarHBondContact OG1-N 3.16Å; T280-E283 PolarHBondContact OG1-OE2 3.46Å; T280-V284 WeakPolarHBondContact O-CG2 3.43Å; T280-V284 PolarHBondContact O-N 2.86Å
281P91Very high90.4Very high113 Ų11345.9 Ų45.973%0.73424%0.243SC*.Hα-helixtrans-56.2-31.5177.2-26.635.5000113.7R285P281-R285 WeakPolarHBondContact O-CB 3.25Å; P281-R285 PolarHBondContact O-N 2.9Å
282T91.5Very high90.4Very high90 Ų9046.6 Ų46.655%0.55225%0.247SC*.Hα-helixtrans-65.6-46.7173.435.10000112.6T280 V284 R285 V286T280-T282 PolarHBondContact O-N 2.72Å; T280-T282 VanDerWaalsContact O-N 3.12Å; T280-T282 PolarHBondContact OG1-OG1 2.75Å; T282-V284 VanDerWaalsContact C-N 3.34Å; T282-V284 PolarHBondContact O-N 2.67Å; T282-R285 PolarHBondContact O-N 2.78Å; T282-V286 WeakPolarHBondContact O-CG2 3.34Å; T282-V286 PolarHBondContact O-N 3.2Å
283E92.5Very high90.6Very high62 Ų6242.9 Ų42.929%0.2923%0.233SC..Hα-helixtrans-65.6-38.4177.4-71.9164.7126.800111.7N273 T280 V286 M287N273-E283 HydrophobicContact CB-CG 4.35Å; T280-E283 WeakPolarHBondContact CB-OE2 3.48Å; T280-E283 WeakPolarHBondContact CG2-OE2 3.27Å; T280-E283 PolarHBondContact N-OE2 2.8Å; T280-E283 PolarHBondContact O-N 3.16Å; T280-E283 VanDerWaalsContact OG1-CD 3.26Å; T280-E283 VanDerWaalsContact OG1-CG 3.22Å; T280-E283 WeakPolarHBondContact OG1-CG 3.42Å; T280-E283 PolarHBondContact OG1-N 3.16Å; T280-E283 PolarHBondContact OG1-OE2 3.46Å; E283-V286 PolarHBondContact O-N 2.94Å; E283-M287 WeakPolarHBondContact O-CB 3.47Å; E283-M287 PolarHBondContact O-N 2.91Å
284V91.4Very high90.7Very high15 Ų1539.1 Ų39.19%0.09121%0.212CC..Hα-helixtrans-61-45.4174.3176.80000110.8T280 T282 M287 K288 R670T280-V284 WeakPolarHBondContact O-CG2 3.43Å; T280-V284 PolarHBondContact O-N 2.86Å; T282-V284 VanDerWaalsContact C-N 3.34Å; T282-V284 PolarHBondContact O-N 2.67Å; V284-M287 HydrophobicContact CG1-CE 4.2Å; V284-M287 PolarHBondContact O-N 3.21Å; V284-K288 WeakPolarHBondContact O-CG 3.37Å; V284-K288 PolarHBondContact O-N 3.39Å; V284-R670 VanDerWaalsContact CG2-CZ 3.43Å
285R90.5Very high90.8Very high101 Ų10141.6 Ų41.638%0.38122%0.224SC..Hα-helixtrans-61-46.4176.8-169.6-170.9-64.7176.5-8.2111.5P281 T282 K288 R289 D787P281-R285 WeakPolarHBondContact O-CB 3.25Å; P281-R285 PolarHBondContact O-N 2.9Å; T282-R285 PolarHBondContact O-N 2.78Å; R285-K288 PolarHBondContact O-N 2.99Å; R285-R289 WeakPolarHBondContact O-CG 3.5Å; R285-R289 PolarHBondContact O-N 2.81Å; R285-R289 VanDerWaalsContact O-N 3.1Å; R285-D787 IonicContact CZ-OD1 3.82Å; R285-D787 IonicContact NH1-OD1 2.66Å; R285-D787 PolarHBondContact NH1-OD1 3.21Å
286V92Very high90.9Very high64 Ų6444 Ų4439%0.38823%0.234SC..Hα-helixtrans-63.9-44.6177.9178.30000110.9P270 T282 E283 K288 R289 R290P270-V286 HydrophobicContact CB-CG1 3.85Å; T282-V286 WeakPolarHBondContact O-CG2 3.34Å; T282-V286 PolarHBondContact O-N 3.2Å; E283-V286 PolarHBondContact O-N 2.94Å; V286-K288 PolarHBondContact O-N 2.61Å; V286-R289 PolarHBondContact O-N 2.77Å; V286-R290 HydrophobicContact CG1-CG 4.07Å; V286-R290 WeakPolarHBondContact O-CB 3.48Å; V286-R290 VanDerWaalsContact O-CG 3.29Å; V286-R290 WeakPolarHBondContact O-CG 3.42Å; V286-R290 PolarHBondContact O-N 2.89Å
287M92.3Very high91.1Very high4 Ų443.5 Ų43.52%0.0223%0.232CC..Hα-helixtrans-53.5-51.4174168.3-167.672.300111.3I271 G274 Q275 E283 V284 R289 R290 S291 R661I271-M287 HydrophobicContact CG2-CG 4.39Å; G274-M287 WeakPolarHBondContact O-CE 3.16Å; Q275-M287 HydrophobicContact CG-SD 4.23Å; E283-M287 WeakPolarHBondContact O-CB 3.47Å; E283-M287 PolarHBondContact O-N 2.91Å; V284-M287 HydrophobicContact CG1-CE 4.2Å; V284-M287 PolarHBondContact O-N 3.21Å; M287-R289 PolarHBondContact O-N 3Å; M287-R290 PolarHBondContact O-N 3.03Å; M287-S291 WeakPolarHBondContact O-CB 3.4Å; M287-S291 PolarHBondContact O-N 3.29Å; M287-R661 PolarHBondContact SD-NH1 2.92Å
288K91.6Very high91.2Very high24 Ų2441.2 Ų41.210%0.10422%0.216CC..Hα-helixtrans-57-49.8-179.7-72.8-172.4177.3-172.60111.3V284 R285 V286 R290 S291 H292 E718 L720V284-K288 WeakPolarHBondContact O-CG 3.37Å; V284-K288 PolarHBondContact O-N 3.39Å; R285-K288 PolarHBondContact O-N 2.99Å; V286-K288 PolarHBondContact O-N 2.61Å; K288-R290 PolarHBondContact O-N 2.72Å; K288-S291 PolarHBondContact O-N 2.8Å; K288-H292 PolarHBondContact O-N 2.91Å; K288-H292 VanDerWaalsContact O-N 3.1Å; K288-E718 WeakPolarHBondContact CE-OE2 3.46Å; K288-E718 PolarHBondContact NZ-O 3.04Å; K288-E718 IonicContact NZ-OE2 3.82Å; K288-E718 PolarHBondContact NZ-OE2 3.23Å; K288-L720 HydrophobicContact CB-CD1 4.29Å; K288-L720 HydrophobicContact CB-CD2 3.98Å; K288-L720 HydrophobicContact CB-CG 4.19Å; K288-L720 HydrophobicContact CD-CD2 4.48Å
289R91.9Very high91.1Very high21 Ų2139.6 Ų39.68%0.07921%0.212CC..Hα-helixtrans-57.6-47.8177-69.3-168.4-178.9173.75.1112R285 V286 M287 V293 L720 A728 E731R285-R289 WeakPolarHBondContact O-CG 3.5Å; R285-R289 PolarHBondContact O-N 2.81Å; R285-R289 VanDerWaalsContact O-N 3.1Å; V286-R289 PolarHBondContact O-N 2.77Å; M287-R289 PolarHBondContact O-N 3Å; R289-V293 VanDerWaalsContact O-CG2 3.28Å; R289-V293 WeakPolarHBondContact O-CG2 3.41Å; R289-V293 PolarHBondContact O-N 2.93Å; R289-L720 HydrophobicContact CG-CD1 4.44Å; R289-A728 HydrophobicContact CB-CB 3.7Å; R289-A728 HydrophobicContact CG-CB 3.73Å; R289-E731 WeakPolarHBondContact CD-OE2 3.45Å; R289-E731 IonicContact CZ-OE2 3.6Å; R289-E731 IonicContact NE-OE2 2.8Å; R289-E731 IonicContact NH1-OE1 3.71Å; R289-E731 IonicContact NH1-OE2 2.89Å; R289-E731 PolarHBondContact NH1-OE2 3.27Å
290R92.9Very high90.8Very high33 Ų3339.7 Ų39.713%0.12522%0.215CC..Hα-helixtrans-67.5-37-179.6-65.7-60.2-174.8-179.1-4.1113.1T266 F267 P270 I271 V286 M287 K288 L294 E735T266-R290 VanDerWaalsContact O-CD 3.26Å; T266-R290 WeakPolarHBondContact O-CD 3.41Å; T266-R290 PolarHBondContact O-NE 3.39Å; F267-R290 HydrophobicContact CD1-CB 4.4Å; P270-R290 HydrophobicContact CB-CG 3.99Å; I271-R290 HydrophobicContact CD1-CB 4.31Å; I271-R290 HydrophobicContact CG1-CB 4Å; V286-R290 HydrophobicContact CG1-CG 4.07Å; V286-R290 WeakPolarHBondContact O-CB 3.48Å; V286-R290 VanDerWaalsContact O-CG 3.29Å; V286-R290 WeakPolarHBondContact O-CG 3.42Å; V286-R290 PolarHBondContact O-N 2.89Å; M287-R290 PolarHBondContact O-N 3.03Å; K288-R290 PolarHBondContact O-N 2.72Å; R290-L294 WeakPolarHBondContact O-CB 3.38Å; R290-L294 PolarHBondContact O-N 3.33Å; R290-E735 IonicContact CZ-OE1 3.93Å; R290-E735 IonicContact CZ-OE2 3.23Å; R290-E735 VanDerWaalsContact CZ-OE2 3.26Å; R290-E735 IonicContact NH1-OE1 3.06Å; R290-E735 IonicContact NH1-OE2 3.44Å; R290-E735 PolarHBondContact NH1-OE2 3.17Å; R290-E735 IonicContact NH2-OE1 3.22Å; R290-E735 PolarHBondContact NH2-OE1 3.15Å; R290-E735 IonicContact NH2-OE2 2.8Å; R290-E735 PolarHBondContact NH2-OE2 3.08Å
291S92.2Very high90.7Very high3 Ų336.9 Ų36.92%0.02120%0.198CC..Hα-helixtrans-62.4-49.8176.2-158.50000110.9M287 K288 V293 L294 H295 R661 V662M287-S291 WeakPolarHBondContact O-CB 3.4Å; M287-S291 PolarHBondContact O-N 3.29Å; K288-S291 PolarHBondContact O-N 2.8Å; S291-V293 PolarHBondContact O-N 3.4Å; S291-L294 WeakPolarHBondContact O-CB 3.46Å; S291-L294 PolarHBondContact O-N 3.16Å; S291-H295 PolarHBondContact O-N 3.1Å; S291-R661 PolarHBondContact OG-O 2.9Å; S291-V662 WeakPolarHBondContact OG-CG2 3.28Å
292H91.2Very high90.8Very high16 Ų1632.3 Ų32.37%0.07417%0.168CC..Hα-helixtrans-62.1-44.4178.2178.670.9000112.5K288 L294 H295 K296 D665 L720 M725K288-H292 PolarHBondContact O-N 2.91Å; K288-H292 VanDerWaalsContact O-N 3.1Å; H292-L294 VanDerWaalsContact C-N 3.32Å; H292-L294 PolarHBondContact O-N 3.41Å; H292-H295 PolarHBondContact O-N 3.33Å; H292-K296 WeakPolarHBondContact O-CB 3.23Å; H292-K296 PolarHBondContact O-N 3.32Å; H292-D665 IonicContact CE1-OD2 3.4Å; H292-D665 IonicContact CG-OD2 3.07Å; H292-D665 IonicContact ND1-OD2 2.76Å; H292-D665 PolarHBondContact ND1-OD2 2.87Å; H292-L720 HydrophobicContact CB-CD1 3.99Å; H292-M725 PolarHBondContact CE1-SD 3.15Å
293V92.5Very high90.9Very high1 Ų129.7 Ų29.71%0.00615%0.149CC..Hα-helixtrans-58.4-44.8174.8168.70000111F267 R289 S291 K296 L297 A728 W729 Y732F267-V293 HydrophobicContact CE1-CB 4.49Å; F267-V293 HydrophobicContact CE1-CG1 4.01Å; F267-V293 HydrophobicContact CZ-CG1 4.3Å; R289-V293 VanDerWaalsContact O-CG2 3.28Å; R289-V293 WeakPolarHBondContact O-CG2 3.41Å; R289-V293 PolarHBondContact O-N 2.93Å; S291-V293 PolarHBondContact O-N 3.4Å; V293-K296 PolarHBondContact O-N 2.86Å; V293-L297 HydrophobicContact CG1-CD1 4.01Å; V293-L297 WeakPolarHBondContact O-CB 3.25Å; V293-L297 VanDerWaalsContact O-CG 3.28Å; V293-L297 WeakPolarHBondContact O-CG 3.33Å; V293-L297 PolarHBondContact O-N 3.34Å; V293-A728 HydrophobicContact CG2-CB 4.18Å; V293-A728 WeakPolarHBondContact CG2-O 3.4Å; V293-W729 HydrophobicContact CG1-CE3 4.36Å; V293-W729 HydrophobicContact CG1-CZ3 4.36Å; V293-W729 HydrophobicContact CG2-CE3 4.36Å; V293-Y732 HydrophobicContact CG1-CD1 3.64Å; V293-Y732 HydrophobicContact CG1-CD2 3.86Å; V293-Y732 HydrophobicContact CG1-CE1 4.15Å; V293-Y732 HydrophobicContact CG1-CE2 4.33Å; V293-Y732 HydrophobicContact CG1-CG 3.48Å; V293-Y732 VanDerWaalsContact CG1-CG 3.48Å
294L92.3Very high90.8Very high0 Ų029.7 Ų29.70%015%0.146CC..Hα-helixtrans-62.6-47.3177-176.155.7000111.4L242 L257 F263 F267 I271 R290 S291 H292 K296 L297 L298 V662L242-L294 HydrophobicContact CD2-CD2 4.37Å; L257-L294 HydrophobicContact CD2-CD1 4.14Å; F263-L294 HydrophobicContact CE2-CD1 4.07Å; F263-L294 HydrophobicContact CE2-CD2 4.4Å; F263-L294 HydrophobicContact CZ-CD2 4.47Å; F267-L294 HydrophobicContact CB-CD2 4.38Å; F267-L294 HydrophobicContact CD1-CB 3.8Å; F267-L294 HydrophobicContact CD1-CD1 4.31Å; F267-L294 HydrophobicContact CD1-CD2 4.28Å; F267-L294 HydrophobicContact CD1-CG 4.36Å; F267-L294 HydrophobicContact CE1-CB 3.84Å; F267-L294 HydrophobicContact CE1-CD1 4.33Å; F267-L294 HydrophobicContact CG-CD1 4.42Å; F267-L294 HydrophobicContact CG-CD2 4.39Å; F267-L294 HydrophobicContact CZ-CD1 4.46Å; I271-L294 HydrophobicContact CD1-CD2 4.25Å; R290-L294 WeakPolarHBondContact O-CB 3.38Å; R290-L294 PolarHBondContact O-N 3.33Å; S291-L294 WeakPolarHBondContact O-CB 3.46Å; S291-L294 PolarHBondContact O-N 3.16Å; H292-L294 VanDerWaalsContact C-N 3.32Å; H292-L294 PolarHBondContact O-N 3.41Å; L294-K296 PolarHBondContact O-N 3.47Å; L294-L297 WeakPolarHBondContact O-CB 3.4Å; L294-L297 PolarHBondContact O-N 3.24Å; L294-L298 HydrophobicContact CD1-CD1 3.85Å; L294-L298 HydrophobicContact CD1-CG 4.35Å; L294-L298 HydrophobicContact CG-CD1 3.97Å; L294-L298 WeakPolarHBondContact O-CD1 3.36Å; L294-L298 WeakPolarHBondContact O-CG 2.98Å; L294-L298 PolarHBondContact O-N 2.85Å; L294-V662 HydrophobicContact CD2-CG1 3.68Å; L294-V662 HydrophobicContact CG-CG1 4.17Å
295H90.5Very high90.7Very high53 Ų5329.6 Ų29.625%0.24515%0.146CC..Hα-helixtrans-56.5-48.7176.8-174.685000111.8S291 H292 L297 L298 S299 V662 V663S291-H295 PolarHBondContact O-N 3.1Å; H292-H295 PolarHBondContact O-N 3.33Å; H295-L297 PolarHBondContact O-N 3.19Å; H295-L298 PolarHBondContact O-N 3.43Å; H295-S299 PolarHBondContact O-N 3.41Å; H295-V662 PolarHBondContact ND1-O 2.9Å; H295-V663 PolarHBondContact CE1-O 3.46Å; H295-V663 PolarHBondContact ND1-O 3.41Å
296K89.3Confident90.4Very high66 Ų6625.3 Ų25.329%0.28713%0.133SC..Hα-helixtrans-65.2-34.2179.7-175.7170.8165.6-171.30113.4R6 H292 V293 L294 L298 S299 W729R6-K296 PolarHBondContact NH1-O 3.1Å; R6-K296 PolarHBondContact NH2-O 3.04Å; H292-K296 WeakPolarHBondContact O-CB 3.23Å; H292-K296 PolarHBondContact O-N 3.32Å; V293-K296 PolarHBondContact O-N 2.86Å; L294-K296 PolarHBondContact O-N 3.47Å; K296-L298 PolarHBondContact O-N 2.88Å; K296-S299 PolarHBondContact O-OG 2.96Å; K296-W729 HydrophobicContact CB-CE3 4.21Å; K296-W729 HydrophobicContact CB-CZ3 3.77Å; K296-W729 HydrophobicContact CD-CD2 3.97Å; K296-W729 HydrophobicContact CD-CE3 3.44Å; K296-W729 VanDerWaalsContact CD-CE3 3.44Å; K296-W729 HydrophobicContact CD-CH2 4.38Å; K296-W729 HydrophobicContact CD-CZ3 3.68Å; K296-W729 HydrophobicContact CG-CE3 3.88Å; K296-W729 HydrophobicContact CG-CH2 4.03Å; K296-W729 HydrophobicContact CG-CZ3 3.53Å; K296-W729 VanDerWaalsContact NZ-CG 3.32Å
297L89.3Confident89.8Confident27 Ų2724.8 Ų24.814%0.14112%0.124CC..Hα-helixtrans-63-26.2171.1-77.1167.2000112.9R6 F267 V293 L294 H295 W729 Y732R6-L297 VanDerWaalsContact NH2-C 3.3Å; R6-L297 PolarHBondContact NH2-O 3.47Å; F267-L297 HydrophobicContact CE1-CD1 4.44Å; F267-L297 HydrophobicContact CZ-CD1 3.73Å; V293-L297 HydrophobicContact CG1-CD1 4.01Å; V293-L297 WeakPolarHBondContact O-CB 3.25Å; V293-L297 VanDerWaalsContact O-CG 3.28Å; V293-L297 WeakPolarHBondContact O-CG 3.33Å; V293-L297 PolarHBondContact O-N 3.34Å; L294-L297 WeakPolarHBondContact O-CB 3.4Å; L294-L297 PolarHBondContact O-N 3.24Å; H295-L297 PolarHBondContact O-N 3.19Å; L297-W729 HydrophobicContact CD2-CH2 3.79Å; L297-W729 HydrophobicContact CD2-CZ3 4.28Å; L297-W729 HydrophobicContact CG-CH2 4.03Å; L297-W729 HydrophobicContact CG-CZ3 4.02Å; L297-Y732 HydrophobicContact CD1-CE1 3.9Å; L297-Y732 HydrophobicContact CD2-CE1 4.11Å; L297-Y732 HydrophobicContact CG-CE1 4.41Å
298L90.3Very high89Confident4 Ų431.3 Ų31.32%0.02116%0.155CC..Hα-helixtrans-99.6-27.8-172.2-63.3172.3000113.9Y245 V249 L294 H295 K296 G300 F301 V302Y245-L298 HydrophobicContact CD1-CD1 4.36Å; Y245-L298 HydrophobicContact CE1-CD1 3.35Å; V249-L298 HydrophobicContact CG1-CD2 4.05Å; V249-L298 HydrophobicContact CG2-CD2 3.81Å; L294-L298 HydrophobicContact CD1-CD1 3.85Å; L294-L298 HydrophobicContact CD1-CG 4.35Å; L294-L298 HydrophobicContact CG-CD1 3.97Å; L294-L298 WeakPolarHBondContact O-CD1 3.36Å; L294-L298 WeakPolarHBondContact O-CG 2.98Å; L294-L298 PolarHBondContact O-N 2.85Å; H295-L298 PolarHBondContact O-N 3.43Å; K296-L298 PolarHBondContact O-N 2.88Å; L298-G300 PolarHBondContact O-N 3.35Å; L298-F301 HydrophobicContact CD2-CE1 3.89Å; L298-F301 HydrophobicContact CD2-CE2 4.38Å; L298-F301 HydrophobicContact CD2-CZ 3.42Å; L298-F301 VanDerWaalsContact CD2-CZ 3.42Å; L298-F301 WeakPolarHBondContact O-CD1 3.23Å; L298-F301 PolarHBondContact O-N 3.37Å; L298-V302 HydrophobicContact CB-CB 4.37Å; L298-V302 HydrophobicContact CB-CG2 3.89Å; L298-V302 HydrophobicContact CD2-CG2 4.43Å; L298-V302 PolarHBondContact O-N 2.79Å
299S85.5Confident88.3Confident62 Ų6231.9 Ų31.943%0.43416%0.162SC..THydrogen-bonded Turntrans-54.4-17.3-172.664.30000117.5R6 H295 K296R6-S299 PolarHBondContact NH1-OG 3.21Å; R6-S299 VanDerWaalsContact NH1-OG 3.08Å; H295-S299 PolarHBondContact O-N 3.41Å; K296-S299 PolarHBondContact O-OG 2.96Å
300G84.5Confident87.3Confident16 Ų1631.9 Ų31.917%0.16516%0.163CC..THydrogen-bonded Turntrans-86.1-10.9177.200000115.7R5 R6 N72 L298R5-G300 PolarHBondContact NH2-O 3.03Å; R6-G300 VanDerWaalsContact CZ-N 3.32Å; R6-G300 VanDerWaalsContact NH2-N 3.18Å; N72-G300 PolarHBondContact OD1-O 3.15Å; L298-G300 PolarHBondContact O-N 3.35Å
301F90.4Very high85.7Confident0 Ų039 Ų390%020%0.198CC..THydrogen-bonded Turntrans-1460.1179.373.4-81.8000113.7F68 C87 I88 V249 V252 K253 L256 L298F68-F301 VanDerWaalsContact CZ-C 3.48Å; F68-F301 WeakPolarHBondContact CZ-O 3.47Å; C87-F301 CarbonylContact C-O 3.5Å; C87-F301 VanDerWaalsContact CA-O 3.23Å; C87-F301 WeakPolarHBondContact CA-O 3.49Å; C87-F301 WeakPolarHBondContact CB-O 3.25Å; I88-F301 HydrophobicContact CD1-CE2 4.4Å; I88-F301 PolarHBondContact N-O 3.47Å; V249-F301 HydrophobicContact CG1-CE2 4.07Å; V249-F301 HydrophobicContact CG1-CZ 3.77Å; V249-F301 HydrophobicContact CG2-CE2 4.39Å; V249-F301 HydrophobicContact CG2-CZ 4.44Å; V252-F301 HydrophobicContact CG1-CD2 4.23Å; K253-F301 HydrophobicContact CD-CB 4.31Å; K253-F301 HydrophobicContact CD-CD1 3.94Å; K253-F301 HydrophobicContact CD-CD2 4Å; K253-F301 HydrophobicContact CD-CE1 4.29Å; K253-F301 HydrophobicContact CD-CE2 4.34Å; K253-F301 HydrophobicContact CD-CG 3.79Å; K253-F301 HydrophobicContact CD-CZ 4.47Å; K253-F301 HydrophobicContact CG-CD2 4.28Å; K253-F301 HydrophobicContact CG-CE2 4.44Å; L256-F301 HydrophobicContact CD2-CD1 4.22Å; L256-F301 HydrophobicContact CD2-CE1 3.27Å; L256-F301 HydrophobicContact CD2-CE2 4.49Å; L256-F301 HydrophobicContact CD2-CZ 3.43Å; L256-F301 VanDerWaalsContact CD2-CZ 3.43Å; L298-F301 HydrophobicContact CD2-CE1 3.89Å; L298-F301 HydrophobicContact CD2-CE2 4.38Å; L298-F301 HydrophobicContact CD2-CZ 3.42Å; L298-F301 VanDerWaalsContact CD2-CZ 3.42Å; L298-F301 WeakPolarHBondContact O-CD1 3.23Å; L298-F301 PolarHBondContact O-N 3.37Å
302V92.7Very high84.2Confident16 Ų1645 Ų4510%0.09723%0.226CC..EExtended strand (participates in β ladder)trans-107.6123.2161.4-173.90000107.8I88 A90 L298I88-V302 HydrophobicContact CB-CB 4.46Å; I88-V302 HydrophobicContact CB-CG1 4.24Å; I88-V302 HydrophobicContact CB-CG2 4.12Å; I88-V302 HydrophobicContact CD1-CG2 4Å; I88-V302 HydrophobicContact CG1-CG2 4.32Å; I88-V302 HydrophobicContact CG2-CG1 4.42Å; I88-V302 WeakPolarHBondContact O-CA 3.17Å; A90-V302 HydrophobicContact CB-CG1 4.21Å; L298-V302 HydrophobicContact CB-CB 4.37Å; L298-V302 HydrophobicContact CB-CG2 3.89Å; L298-V302 HydrophobicContact CD2-CG2 4.43Å; L298-V302 PolarHBondContact O-N 2.79Å
303Q92.7Very high82.5Confident35 Ų3549.4 Ų49.416%0.16426%0.256CS..EExtended strand (participates in β ladder)trans-112.4115.4170.8-173.1-176.471.100109.5R64 F68 I88 A90 H91 V305R64-Q303 PolarHBondContact O-NE2 3.41Å; F68-Q303 HydrophobicContact CD1-CB 3.65Å; F68-Q303 HydrophobicContact CD1-CG 4.47Å; F68-Q303 HydrophobicContact CD2-CB 3.91Å; F68-Q303 HydrophobicContact CD2-CG 4.5Å; F68-Q303 HydrophobicContact CE1-CB 3.45Å; F68-Q303 VanDerWaalsContact CE1-CB 3.45Å; F68-Q303 HydrophobicContact CE2-CB 3.71Å; F68-Q303 HydrophobicContact CG-CB 3.87Å; F68-Q303 HydrophobicContact CG-CG 4.38Å; F68-Q303 HydrophobicContact CZ-CB 3.46Å; F68-Q303 VanDerWaalsContact CZ-CB 3.46Å; I88-Q303 PolarHBondContact O-N 3.49Å; A90-Q303 WeakPolarHBondContact CA-O 3.22Å; A90-Q303 PolarHBondContact N-O 3.14Å; H91-Q303 PolarHBondContact NE2-OE1 3.05Å; Q303-V305 HydrophobicContact CG-CG2 4.39Å
304R91.6Very high80.8Confident62 Ų6251.6 Ų51.623%0.23427%0.268CS..EExtended strand (participates in β ladder)trans-101.8138.4175.7179.258.1166.8-178-7.9109.5A90 G235 V663 D664A90-R304 WeakPolarHBondContact O-CD 3.38Å; A90-R304 PolarHBondContact O-NH1 2.87Å; A90-R304 VanDerWaalsContact O-NH1 3.16Å; G235-R304 PolarHBondContact O-NH1 3.09Å; G235-R304 VanDerWaalsContact O-NH1 3.16Å; R304-V663 HydrophobicContact CB-CG1 4.42Å; R304-V663 HydrophobicContact CG-CG1 3.9Å; R304-D664 WeakPolarHBondContact CD-OD1 3.28Å; R304-D664 WeakPolarHBondContact CG-OD1 3.5Å; R304-D664 IonicContact CZ-OD1 2.67Å; R304-D664 IonicContact CZ-OD2 3.75Å; R304-D664 IonicContact NE-OD1 3.73Å; R304-D664 PolarHBondContact NE-OD1 2.86Å; R304-D664 IonicContact NE-OD2 2.84Å; R304-D664 PolarHBondContact NE-OD2 3.28Å; R304-D664 IonicContact NH2-OD1 2.67Å; R304-D664 IonicContact NH2-OD2 2.72Å; R304-D664 PolarHBondContact NH2-OD2 2.88Å
305V89Confident79.3Confident14 Ų1456.4 Ų56.49%0.08529%0.288CS..EExtended strand (participates in β ladder)trans-144.7120.5175.5179.10000108.1H61 H91 S92 L95 Q303 S309H61-V305 HydrophobicContact CB-CG1 4.21Å; H91-V305 HydrophobicContact CB-CB 4.41Å; H91-V305 WeakPolarHBondContact NE2-CG2 3.1Å; S92-V305 WeakPolarHBondContact CB-O 3.45Å; S92-V305 PolarHBondContact N-O 3.08Å; S92-V305 PolarHBondContact OG-O 2.91Å; L95-V305 HydrophobicContact CD1-CB 4.22Å; L95-V305 HydrophobicContact CD1-CG1 3.82Å; L95-V305 WeakPolarHBondContact CD1-O 3.38Å; Q303-V305 HydrophobicContact CG-CG2 4.39Å; V305-S309 WeakPolarHBondContact CG1-OG 3.39Å
306G84Confident78.4Confident10 Ų1060.2 Ų60.210%0.10331%0.308CS..  trans-88.8-173.9174.300000113.4E308 S309G306-E308 VanDerWaalsContact C-N 3.29Å; G306-E308 WeakPolarHBondContact CA-OE2 3.11Å; G306-S309 PolarHBondContact O-OG 3.38Å
307Y78.4Confident78.2Confident53 Ų5359.5 Ų59.521%0.20831%0.305CS..G310 helixtrans-78.5-17-175.5-65.7-75.2000113.2S92 M93 L95 S309 L310 L314 F622S92-Y307 VanDerWaalsContact CB-CZ 3.48Å; M93-Y307 WeakPolarHBondContact CA-OH 3.5Å; M93-Y307 PolarHBondContact N-OH 3.18Å; M93-Y307 WeakPolarHBondContact O-CE1 3.36Å; M93-Y307 PolarHBondContact O-OH 3.46Å; L95-Y307 HydrophobicContact CD2-CD1 4.26Å; Y307-S309 PolarHBondContact O-N 3.2Å; Y307-S309 VanDerWaalsContact O-N 3.13Å; Y307-L310 PolarHBondContact O-N 3.31Å; Y307-L314 HydrophobicContact CD1-CD1 3.78Å; Y307-L314 HydrophobicContact CE1-CD1 4.28Å; Y307-F622 HydrophobicContact CD2-CE1 4.42Å; Y307-F622 HydrophobicContact CD2-CZ 4.31Å; Y307-F622 HydrophobicContact CE1-CD1 4.48Å; Y307-F622 HydrophobicContact CE1-CE1 4.2Å; Y307-F622 HydrophobicContact CE2-CD1 4.45Å; Y307-F622 AromaticContact CE2-CE1 3.58Å; Y307-F622 HydrophobicContact CE2-CE1 3.58Å; Y307-F622 HydrophobicContact CE2-CE2 4.02Å; Y307-F622 AromaticContact CE2-CZ 3.33Å; Y307-F622 HydrophobicContact CE2-CZ 3.33Å; Y307-F622 AromaticContact CZ-CD1 3.88Å; Y307-F622 AromaticContact CZ-CE1 3.44Å; Y307-F622 VanDerWaalsContact CZ-CE1 3.44Å; Y307-F622 AromaticContact CZ-CZ 3.57Å; Y307-F622 WeakPolarHBondContact OH-CD1 3.47Å; Y307-F622 WeakPolarHBondContact OH-CE1 3.39Å; Y307-F622 WeakPolarHBondContact OH-CE2 3.4Å; Y307-F622 WeakPolarHBondContact OH-CZ 3.24Å
308E77.2Confident78.1Confident141 Ų14160.1 Ų60.166%0.65931%0.307SS*.G310 helixtrans-65.3-12.8176.7-35.968.5-140.500111.7G306 L310G306-E308 VanDerWaalsContact C-N 3.29Å; G306-E308 WeakPolarHBondContact CA-OE2 3.11Å; E308-L310 VanDerWaalsContact C-N 3.29Å
309S75.3Confident78.2Confident37 Ų3760 Ų6026%0.25931%0.307SS..G310 helixtrans-80.9-2.1175.967.40000114.9V305 G306 Y307V305-S309 WeakPolarHBondContact CG1-OG 3.39Å; G306-S309 PolarHBondContact O-OG 3.38Å; Y307-S309 PolarHBondContact O-N 3.2Å; Y307-S309 VanDerWaalsContact O-N 3.13Å
310L72Confident78.5Confident20 Ų2060.2 Ų60.211%0.10530%0.298CS..  trans-95124.1177.7-61.6173.5000109.8K59 L95 Y307 E308 E312 L314K59-L310 HydrophobicContact CD-CD2 4.36Å; L95-L310 HydrophobicContact CD2-CD1 3.81Å; L95-L310 HydrophobicContact CD2-CD2 3.93Å; L95-L310 HydrophobicContact CD2-CG 3.96Å; Y307-L310 PolarHBondContact O-N 3.31Å; E308-L310 VanDerWaalsContact C-N 3.29Å; L310-E312 VanDerWaalsContact C-N 3.26Å; L310-E312 WeakPolarHBondContact CB-O 3.39Å; L310-E312 PolarHBondContact O-N 2.96Å; L310-L314 HydrophobicContact CD1-CD1 3.42Å; L310-L314 VanDerWaalsContact CD1-CD1 3.42Å; L310-L314 HydrophobicContact CD1-CD2 4.41Å; L310-L314 HydrophobicContact CD1-CG 3.61Å
311E58.8Low78.9Confident182 Ų18259.4 Ų59.485%0.8529%0.29SS*.SBendtrans-61.1-35.7179.3-65.8165.3-175.900112.2
312E61.8Low79Confident129 Ų12960 Ų6060%0.60329%0.293SS*.SBendtrans-86.5118.2166.2-62.9159.5149.400107.7K59 L310 L314K59-E312 IonicContact NZ-OE2 3.9Å; K59-E312 PolarHBondContact NZ-OE2 2.97Å; L310-E312 VanDerWaalsContact C-N 3.26Å; L310-E312 WeakPolarHBondContact CB-O 3.39Å; L310-E312 PolarHBondContact O-N 2.96Å; E312-L314 PolarHBondContact O-N 3.33Å
313P54.8Low78.9Confident110 Ų11061.1 Ų61.171%0.71430%0.296SS*.  trans-61.8115.2169.426-32.1000107.9F315P313-F315 PolarHBondContact O-N 3.26Å; P313-F315 VanDerWaalsContact O-N 3.1Å
314L57.3Low78.8Confident47 Ų4759.5 Ų59.525%0.24629%0.289CS..  trans-52.3123.3166.4-74.9172.6000107.2Y307 L310 E312 M316 L627Y307-L314 HydrophobicContact CD1-CD1 3.78Å; Y307-L314 HydrophobicContact CE1-CD1 4.28Å; L310-L314 HydrophobicContact CD1-CD1 3.42Å; L310-L314 VanDerWaalsContact CD1-CD1 3.42Å; L310-L314 HydrophobicContact CD1-CD2 4.41Å; L310-L314 HydrophobicContact CD1-CG 3.61Å; E312-L314 PolarHBondContact O-N 3.33Å; L314-M316 PolarHBondContact O-N 3.05Å; L314-L627 HydrophobicContact CD2-CD2 4.11Å
315F60Low78.7Confident100 Ų10063.8 Ų63.844%0.43931%0.305SS..  trans-42.5135.9-166.3-64.4-91.1000113P313 K317 Q629 T630P313-F315 PolarHBondContact O-N 3.26Å; P313-F315 VanDerWaalsContact O-N 3.1Å; F315-K317 PolarHBondContact O-N 3.22Å; F315-K317 VanDerWaalsContact O-N 3.11Å; F315-Q629 VanDerWaalsContact CD2-O 3.25Å; F315-Q629 WeakPolarHBondContact CD2-O 3.12Å; F315-Q629 WeakPolarHBondContact CE2-O 3.29Å; F315-T630 WeakPolarHBondContact CE1-O 3.45Å
316M70.9Confident78.7Confident133 Ų13363.9 Ų63.966%0.65531%0.305SS*.  trans-43.3116.4-168.7-59.1-178.179.200111.9L314 V633L314-M316 PolarHBondContact O-N 3.05Å; M316-V633 PolarHBondContact O-N 3.45Å; M316-V633 VanDerWaalsContact O-N 3.15Å
317K84.9Confident79Confident52 Ų5264 Ų6423%0.22630%0.304CS..EExtended strand (participates in β ladder)trans-78.1126.9166178.8178.680.379.10107.2F315 E319 M621 I625 D709F315-K317 PolarHBondContact O-N 3.22Å; F315-K317 VanDerWaalsContact O-N 3.11Å; K317-E319 IonicContact NZ-OE2 3.68Å; K317-E319 PolarHBondContact NZ-OE2 2.8Å; K317-M621 HydrophobicContact CD-CE 4.16Å; K317-I625 HydrophobicContact CB-CD1 4.04Å; K317-I625 HydrophobicContact CD-CD1 3.51Å; K317-I625 HydrophobicContact CG-CD1 3.73Å; K317-D709 WeakPolarHBondContact CE-OD2 3.45Å; K317-D709 IonicContact NZ-OD1 3.43Å; K317-D709 PolarHBondContact NZ-OD1 3.28Å; K317-D709 IonicContact NZ-OD2 3.18Å; K317-D709 PolarHBondContact NZ-OD2 3.37Å
318H88.7Confident79.4Confident39 Ų3966.3 Ų66.318%0.18133%0.325CS..EExtended strand (participates in β ladder)trans-119117.9163.8-62-71.7000108.5Y320 V633 Y634 V635 E707H318-Y320 HydrophobicContact CB-CD2 4.33Å; H318-Y320 HydrophobicContact CB-CE2 3.48Å; H318-Y320 VanDerWaalsContact CB-CE2 3.48Å; H318-V633 PolarHBondContact N-O 2.98Å; H318-Y634 HydrophobicContact CB-CD1 4.19Å; H318-Y634 AromaticContact CD2-CE1 3.97Å; H318-Y634 CarbonylContact O-C 3.46Å; H318-Y634 WeakPolarHBondContact O-CA 3.37Å; H318-V635 PolarHBondContact O-N 3.42Å; H318-E707 IonicContact ND1-OE1 2.77Å
319E91.1Very high80Confident3 Ų362.1 Ų62.11%0.01431%0.306CS..EExtended strand (participates in β ladder)trans-113.1112.9178.8-176.7171.8176.500109.7K317 M621 V635 R637 E707 H708K317-E319 IonicContact NZ-OE2 3.68Å; K317-E319 PolarHBondContact NZ-OE2 2.8Å; E319-M621 WeakPolarHBondContact OE2-CE 3.3Å; E319-V635 CarbonylContact C-O 3.52Å; E319-V635 WeakPolarHBondContact CA-O 3.26Å; E319-V635 HydrophobicContact CB-CB 4.11Å; E319-V635 HydrophobicContact CG-CB 3.95Å; E319-V635 HydrophobicContact CG-CG1 4.01Å; E319-R637 IonicContact OE1-CZ 3.43Å; E319-R637 IonicContact OE1-NE 3.85Å; E319-R637 PolarHBondContact OE1-NE 3.39Å; E319-R637 IonicContact OE1-NH2 3.42Å; E319-R637 PolarHBondContact OE1-NH2 3.16Å; E319-E707 CarbonylContact O-C 3.54Å; E319-E707 VanDerWaalsContact O-CA 3.29Å; E319-E707 WeakPolarHBondContact O-CA 3.19Å; E319-H708 HydrophobicContact CB-CB 3.93Å; E319-H708 HydrophobicContact CG-CB 3.56Å; E319-H708 PolarHBondContact O-N 3.28Å; E319-H708 IonicContact OE1-CD2 2.67Å; E319-H708 PolarHBondContact OE1-CD2 3.28Å; E319-H708 IonicContact OE1-CG 3.77Å; E319-H708 IonicContact OE2-CD2 3.85Å; E319-H708 PolarHBondContact OE2-CD2 3.17Å
320Y92.7Very high80.8Confident65 Ų6560.4 Ų60.426%0.25529%0.294SS..EExtended strand (participates in β ladder)trans-106.3136.3-177.6-61.6-80.7000110.6H318 Y634 V635 Y636 R637 Y705H318-Y320 HydrophobicContact CB-CD2 4.33Å; H318-Y320 HydrophobicContact CB-CE2 3.48Å; H318-Y320 VanDerWaalsContact CB-CE2 3.48Å; Y320-Y634 HydrophobicContact CE2-CD1 4.17Å; Y320-V635 PolarHBondContact N-O 3.49Å; Y320-Y636 HydrophobicContact CD2-CD1 4.29Å; Y320-Y636 HydrophobicContact CD2-CE1 4.13Å; Y320-Y636 WeakPolarHBondContact O-CA 3.22Å; Y320-R637 PolarHBondContact O-N 3.23Å; Y320-Y705 HydrophobicContact CD1-CD2 4.28Å
321I92.8Very high81.7Confident0 Ų061 Ų610%030%0.298CS..EExtended strand (participates in β ladder)trans-105.3119.9176.5-52.9-161.6000107.9Y323 R637 I639 Y649 Y705 H706 H708I321-Y323 HydrophobicContact CG2-CE2 4.18Å; I321-R637 HydrophobicContact CG1-CB 4.34Å; I321-I639 HydrophobicContact CG2-CG1 3.76Å; I321-Y649 HydrophobicContact CD1-CE1 3.73Å; I321-Y649 HydrophobicContact CD1-CE2 3.57Å; I321-Y649 WeakPolarHBondContact CD1-OH 3.42Å; I321-Y649 HydrophobicContact CG2-CE1 4.47Å; I321-Y705 WeakPolarHBondContact O-CA 3.39Å; I321-Y705 WeakPolarHBondContact O-CB 3.5Å; I321-H706 PolarHBondContact N-O 3.01Å; I321-H706 PolarHBondContact O-N 3.35Å; I321-H708 HydrophobicContact CD1-CB 3.77Å; I321-H708 HydrophobicContact CG1-CB 3.96Å
322L92.1Very high83.3Confident11 Ų1156.7 Ų56.76%0.05828%0.281CS..EExtended strand (participates in β ladder)trans-110.4109.9-174.8-49.7-175.9000107.7V324 L504 I508 Y636 R637 F638 I639 W702L322-V324 PolarHBondContact O-N 2.91Å; L322-L504 HydrophobicContact CB-CD2 4.15Å; L322-L504 HydrophobicContact CD1-CD2 3.86Å; L322-I508 HydrophobicContact CD1-CD1 4.44Å; L322-Y636 HydrophobicContact CD1-CD1 4.24Å; L322-R637 PolarHBondContact N-O 3.05Å; L322-F638 HydrophobicContact CB-CD1 4.39Å; L322-F638 HydrophobicContact CD1-CD1 4.21Å; L322-F638 HydrophobicContact CD1-CE1 3.94Å; L322-I639 PolarHBondContact O-N 3.28Å; L322-W702 HydrophobicContact CB-CE3 4.45Å; L322-W702 HydrophobicContact CD2-CE3 3.9Å; L322-W702 HydrophobicContact CD2-CZ3 3.66Å
323Y91Very high84.7Confident40 Ų4050.5 Ų50.516%0.15725%0.252CS..EExtended strand (participates in β ladder)trans-80.6114.8173.9-71.4-83.7000109.6I321 I639 W702 T703 K704 H706I321-Y323 HydrophobicContact CG2-CE2 4.18Å; Y323-I639 CarbonylContact C-O 3.57Å; Y323-I639 WeakPolarHBondContact CA-O 3.33Å; Y323-I639 HydrophobicContact CD1-CB 4.06Å; Y323-I639 HydrophobicContact CD1-CG2 3.88Å; Y323-I639 HydrophobicContact CE1-CB 4.17Å; Y323-I639 HydrophobicContact CE1-CG2 3.76Å; Y323-W702 CarbonylContact O-C 3.54Å; Y323-W702 WeakPolarHBondContact O-CA 3.46Å; Y323-W702 WeakPolarHBondContact O-CB 3.44Å; Y323-T703 PolarHBondContact O-N 3.28Å; Y323-T703 PolarHBondContact O-OG1 3.32Å; Y323-K704 HydrophobicContact CD2-CB 3.85Å; Y323-K704 HydrophobicContact CG-CB 4.42Å; Y323-K704 PolarHBondContact N-O 3.31Å; Y323-H706 AromaticContact CE2-CE1 3.61Å; Y323-H706 AromaticContact CE2-ND1 3.75Å
324V90.4Very high86.4Confident2 Ų245.3 Ų45.31%0.01222%0.218CC..EExtended strand (participates in β ladder)trans-104.1132.1-172.1-179.30000109.4L322 K501 L504 I639 Q641 N701L322-V324 PolarHBondContact O-N 2.91Å; V324-K501 HydrophobicContact CB-CG 4.22Å; V324-K501 HydrophobicContact CG1-CG 3.98Å; V324-K501 HydrophobicContact CG2-CG 4.35Å; V324-L504 HydrophobicContact CG2-CD2 3.69Å; V324-I639 PolarHBondContact N-O 3.42Å; V324-Q641 WeakPolarHBondContact O-CB 3.4Å; V324-Q641 PolarHBondContact O-N 3.2Å; V324-N701 WeakPolarHBondContact CA-O 3.34Å; V324-N701 WeakPolarHBondContact CG1-O 3.44Å
325R89.3Confident87.9Confident152 Ų15245.8 Ų45.857%0.57422%0.221SC*.PPolyproline II helixtrans-73.9142.3173.6-68.8-170.1166.9141.81110.6N701 T703R325-N701 PolarHBondContact N-O 3.44Å; R325-T703 HydrophobicContact CG-CG2 3.68Å
326L89.9Confident89.3Confident16 Ų1643.7 Ų43.78%0.08421%0.213CC..PPolyproline II helixtrans-64.5147.7161.6-61.4-170.6000109.9Q330 V331 Y334 W367 A640 T643 Y683L326-Q330 HydrophobicContact CB-CB 3.89Å; L326-Q330 HydrophobicContact CD2-CB 4.35Å; L326-Q330 HydrophobicContact CG-CB 4.47Å; L326-V331 HydrophobicContact CB-CG2 3.71Å; L326-V331 HydrophobicContact CD1-CG2 4.29Å; L326-Y334 HydrophobicContact CD1-CD2 4.42Å; L326-Y334 HydrophobicContact CD1-CG 4.39Å; L326-W367 HydrophobicContact CD2-CB 3.61Å; L326-A640 HydrophobicContact CD2-CB 4.19Å; L326-T643 HydrophobicContact CD1-CG2 3.81Å; L326-T643 HydrophobicContact CD2-CG2 4.34Å; L326-T643 HydrophobicContact CG-CG2 4.21Å; L326-Y683 HydrophobicContact CD1-CE2 3.86Å
327S89Confident90.1Very high12 Ų1237.5 Ų37.58%0.08418%0.182CC..PPolyproline II helixtrans-70.8160166.788.10000110.8E329 Q330 V331S327-E329 WeakPolarHBondContact CB-OE2 3.33Å; S327-E329 PolarHBondContact O-N 3.34Å; S327-E329 PolarHBondContact OG-N 3.49Å; S327-E329 PolarHBondContact OG-OE2 3.48Å; S327-Q330 WeakPolarHBondContact O-CB 3.37Å; S327-Q330 PolarHBondContact O-N 3.17Å; S327-Q330 PolarHBondContact OG-N 2.93Å; S327-V331 WeakPolarHBondContact O-CG2 3.48Å; S327-V331 PolarHBondContact O-N 3.12Å
328P88.6Confident90.1Very high102 Ų10236.1 Ų36.166%0.66218%0.177SC*.Hα-helixtrans-53.4-37.2176.5-26.435.6000113.4V331 N332P328-V331 PolarHBondContact O-N 3.36Å; P328-N332 PolarHBondContact O-N 3.4Å
329E89.1Confident89.8Confident52 Ų5238.1 Ų38.124%0.24319%0.189CC..Hα-helixtrans-70.4-38.3177.6-49.686.7165.700111.8S327 N332 L333 L491 L498S327-E329 WeakPolarHBondContact CB-OE2 3.33Å; S327-E329 PolarHBondContact O-N 3.34Å; S327-E329 PolarHBondContact OG-N 3.49Å; S327-E329 PolarHBondContact OG-OE2 3.48Å; E329-N332 PolarHBondContact O-N 3.4Å; E329-L333 WeakPolarHBondContact O-CG 3.32Å; E329-L333 PolarHBondContact O-N 3.41Å; E329-L491 HydrophobicContact CB-CD1 4.31Å; E329-L491 HydrophobicContact CB-CD2 3.89Å; E329-L491 HydrophobicContact CG-CD2 3.64Å; E329-L498 HydrophobicContact CB-CD2 4.03Å; E329-L498 VanDerWaalsContact CD-CD2 3.41Å; E329-L498 HydrophobicContact CG-CD2 3.72Å
330Q92.2Very high89.2Confident1 Ų139.8 Ų39.81%0.00520%0.199CC..Hα-helixtrans-66.2-36.7171.4-68.9-175.9-6600112.2L326 S327 Y334 V366 W367 P370 L498L326-Q330 HydrophobicContact CB-CB 3.89Å; L326-Q330 HydrophobicContact CD2-CB 4.35Å; L326-Q330 HydrophobicContact CG-CB 4.47Å; S327-Q330 WeakPolarHBondContact O-CB 3.37Å; S327-Q330 PolarHBondContact O-N 3.17Å; S327-Q330 PolarHBondContact OG-N 2.93Å; Q330-Y334 VanDerWaalsContact O-CB 3.24Å; Q330-Y334 WeakPolarHBondContact O-CB 3.41Å; Q330-Y334 PolarHBondContact O-N 2.58Å; Q330-V366 PolarHBondContact NE2-O 2.76Å; Q330-W367 VanDerWaalsContact NE2-C 3.26Å; Q330-W367 PolarHBondContact NE2-O 3.11Å; Q330-P370 HydrophobicContact CG-CG 3.96Å; Q330-L498 WeakPolarHBondContact CG-O 3.5Å; Q330-L498 PolarHBondContact OE1-O 3.38Å
331V91Very high88.4Confident34 Ų3437 Ų3721%0.20619%0.189CC..Hα-helixtrans-64.6-45.5175.1173.30000110.8L326 S327 P328 L333 Y334 N335 Y683L326-V331 HydrophobicContact CB-CG2 3.71Å; L326-V331 HydrophobicContact CD1-CG2 4.29Å; S327-V331 WeakPolarHBondContact O-CG2 3.48Å; S327-V331 PolarHBondContact O-N 3.12Å; P328-V331 PolarHBondContact O-N 3.36Å; V331-L333 PolarHBondContact O-N 2.97Å; V331-Y334 PolarHBondContact O-N 2.7Å; V331-N335 PolarHBondContact O-N 3.3Å; V331-Y683 HydrophobicContact CG1-CE1 3.86Å; V331-Y683 HydrophobicContact CG2-CE1 4.13Å; V331-Y683 WeakPolarHBondContact CG2-OH 3.38Å
332N91.1Very high87.4Confident90 Ų9037.7 Ų37.748%0.48119%0.193SC..Hα-helixtrans-58-49.7175.7-171.120.4000111.3P328 E329 Y334 H336P328-N332 PolarHBondContact O-N 3.4Å; E329-N332 PolarHBondContact O-N 3.4Å; N332-Y334 VanDerWaalsContact C-N 3.35Å; N332-Y334 PolarHBondContact O-N 2.96Å; N332-H336 WeakPolarHBondContact O-CB 3.38Å; N332-H336 PolarHBondContact O-N 3.21Å
333L91.1Very high86.3Confident0 Ų044.2 Ų44.20%022%0.223CC..Hα-helixtrans-61.3-38.2175.6-76.1166.1000113.3E329 V331 Y337 V366 P370 W483 F484 I487 T488 L491E329-L333 WeakPolarHBondContact O-CG 3.32Å; E329-L333 PolarHBondContact O-N 3.41Å; V331-L333 PolarHBondContact O-N 2.97Å; L333-Y337 PolarHBondContact O-N 2.88Å; L333-Y337 VanDerWaalsContact O-N 3.14Å; L333-V366 HydrophobicContact CB-CG1 3.73Å; L333-P370 HydrophobicContact CD1-CB 3.74Å; L333-P370 HydrophobicContact CD1-CG 3.81Å; L333-W483 HydrophobicContact CD2-CZ3 4.26Å; L333-W483 VanDerWaalsContact O-CZ3 3.31Å; L333-W483 WeakPolarHBondContact O-CZ3 3.47Å; L333-F484 HydrophobicContact CD2-CB 4.29Å; L333-I487 HydrophobicContact CD2-CB 3.79Å; L333-I487 HydrophobicContact CD2-CD1 4.13Å; L333-I487 HydrophobicContact CD2-CG2 3.62Å; L333-I487 HydrophobicContact CG-CG2 3.89Å; L333-T488 HydrophobicContact CD2-CG2 4.32Å; L333-L491 HydrophobicContact CD1-CD1 4.17Å
334Y90.8Very high84.8Confident0 Ų045.9 Ų45.90%024%0.235CC..Hα-helixtrans-69.9-47.9-178.8-170.2-79.6000111.2L326 Q330 V331 N332 Y337 L338 L363 W367 T643 M644 Y683L326-Y334 HydrophobicContact CD1-CD2 4.42Å; L326-Y334 HydrophobicContact CD1-CG 4.39Å; Q330-Y334 VanDerWaalsContact O-CB 3.24Å; Q330-Y334 WeakPolarHBondContact O-CB 3.41Å; Q330-Y334 PolarHBondContact O-N 2.58Å; V331-Y334 PolarHBondContact O-N 2.7Å; N332-Y334 VanDerWaalsContact C-N 3.35Å; N332-Y334 PolarHBondContact O-N 2.96Å; Y334-Y337 WeakPolarHBondContact O-CB 3.47Å; Y334-Y337 PolarHBondContact O-N 3.16Å; Y334-L338 HydrophobicContact CD1-CD1 4.14Å; Y334-L338 HydrophobicContact CD1-CG 4.33Å; Y334-L338 HydrophobicContact CE1-CD1 3.78Å; Y334-L338 HydrophobicContact CE1-CD2 4.38Å; Y334-L338 HydrophobicContact CE1-CG 4.1Å; Y334-L338 PolarHBondContact O-N 2.82Å; Y334-L363 HydrophobicContact CD2-CD2 3.74Å; Y334-L363 HydrophobicContact CE2-CB 4.13Å; Y334-L363 HydrophobicContact CE2-CD1 4.14Å; Y334-L363 HydrophobicContact CE2-CD2 3.73Å; Y334-L363 HydrophobicContact CE2-CG 4.23Å; Y334-L363 HydrophobicContact CG-CD2 4.28Å; Y334-W367 HydrophobicContact CD2-CE3 4.29Å; Y334-W367 AromaticContact CE2-CE3 3.7Å; Y334-W367 HydrophobicContact CE2-CE3 3.7Å; Y334-W367 AromaticContact CE2-CZ3 3.95Å; Y334-W367 HydrophobicContact CE2-CZ3 3.95Å; Y334-T643 HydrophobicContact CD2-CG2 4.37Å; Y334-T643 HydrophobicContact CE2-CG2 3.97Å; Y334-M644 PolarHBondContact OH-N 2.99Å; Y334-Y683 HydrophobicContact CD1-CD1 4.46Å; Y334-Y683 HydrophobicContact CD1-CD2 4.18Å; Y334-Y683 AromaticContact CD1-CG 3.94Å; Y334-Y683 HydrophobicContact CD1-CG 3.94Å; Y334-Y683 HydrophobicContact CE1-CD2 4.07Å; Y334-Y683 AromaticContact CE1-CG 3.95Å; Y334-Y683 HydrophobicContact CE1-CG 3.95Å
335N89.4Confident83.3Confident57 Ų5747.2 Ų47.231%0.30524%0.242SC..Hα-helixtrans-64.2-45.5177.1-68.4-1.2000110.8V331 Y337 L338 D339 Y683V331-N335 PolarHBondContact O-N 3.3Å; N335-Y337 PolarHBondContact O-N 2.72Å; N335-Y337 VanDerWaalsContact O-N 3.15Å; N335-L338 WeakPolarHBondContact O-CA 3.45Å; N335-L338 WeakPolarHBondContact O-CB 3.2Å; N335-L338 PolarHBondContact O-N 3.45Å; N335-D339 PolarHBondContact O-N 3.07Å; N335-Y683 WeakPolarHBondContact OD1-CD1 3.17Å
336H88.6Confident81.7Confident57 Ų5745.7 Ų45.726%0.26425%0.245SC..Hα-helixtrans-57.5-33176.8-170.264.4000112.8N332 V340 W483 I487N332-H336 WeakPolarHBondContact O-CB 3.38Å; N332-H336 PolarHBondContact O-N 3.21Å; H336-V340 WeakPolarHBondContact CE1-CG2 3.14Å; H336-V340 VanDerWaalsContact O-CB 3.26Å; H336-V340 WeakPolarHBondContact O-CB 3.47Å; H336-V340 WeakPolarHBondContact O-CG2 3.44Å; H336-V340 PolarHBondContact O-N 3.01Å; H336-W483 AromaticContact CD2-CE3 3.98Å; H336-W483 PolarHBondContact CD2-O 2.76Å; H336-W483 PolarHBondContact NE2-O 3.07Å; H336-I487 HydrophobicContact CB-CD1 3.79Å; H336-I487 VanDerWaalsContact CD2-CD1 3.42Å; H336-I487 WeakPolarHBondContact CD2-CD1 3.34Å
337Y87.9Confident80Confident2 Ų251.1 Ų51.11%0.00827%0.273CS..Hα-helixtrans-65.4-44.9171.4-169.6-92.4000112.6L333 Y334 N335 V341 V342 D359 S362 L363 W483L333-Y337 PolarHBondContact O-N 2.88Å; L333-Y337 VanDerWaalsContact O-N 3.14Å; Y334-Y337 WeakPolarHBondContact O-CB 3.47Å; Y334-Y337 PolarHBondContact O-N 3.16Å; N335-Y337 PolarHBondContact O-N 2.72Å; N335-Y337 VanDerWaalsContact O-N 3.15Å; Y337-V341 HydrophobicContact CD1-CB 4.35Å; Y337-V341 HydrophobicContact CD2-CB 4.21Å; Y337-V341 HydrophobicContact CD2-CG2 3.79Å; Y337-V341 HydrophobicContact CE1-CB 4.12Å; Y337-V341 HydrophobicContact CE1-CG1 4.23Å; Y337-V341 HydrophobicContact CE2-CB 3.98Å; Y337-V341 HydrophobicContact CE2-CG1 4.06Å; Y337-V341 HydrophobicContact CE2-CG2 3.73Å; Y337-V341 HydrophobicContact CG-CB 4.42Å; Y337-V341 HydrophobicContact CG-CG2 4.35Å; Y337-V341 WeakPolarHBondContact O-CA 3.5Å; Y337-V341 WeakPolarHBondContact O-CB 3.49Å; Y337-V341 PolarHBondContact O-N 2.72Å; Y337-V342 HydrophobicContact CD1-CG2 4.23Å; Y337-V342 HydrophobicContact CE1-CG2 4.19Å; Y337-V342 PolarHBondContact O-N 3.14Å; Y337-D359 HydrophobicContact CE1-CB 4.08Å; Y337-D359 WeakPolarHBondContact OH-CA 3.4Å; Y337-D359 PolarHBondContact OH-OD1 3.26Å; Y337-S362 VanDerWaalsContact CE2-CB 3.49Å; Y337-S362 PolarHBondContact OH-OG 2.83Å; Y337-L363 HydrophobicContact CD1-CD1 4.13Å; Y337-L363 HydrophobicContact CD1-CD2 3.36Å; Y337-L363 HydrophobicContact CD1-CG 3.69Å; Y337-L363 HydrophobicContact CE1-CD1 4.32Å; Y337-L363 HydrophobicContact CE1-CD2 4.14Å; Y337-L363 HydrophobicContact CE1-CG 3.96Å; Y337-L363 HydrophobicContact CG-CD2 3.6Å; Y337-L363 HydrophobicContact CG-CG 4.29Å; Y337-W483 AromaticContact CD2-CD2 3.68Å; Y337-W483 HydrophobicContact CD2-CD2 3.68Å; Y337-W483 AromaticContact CD2-CE2 3.37Å; Y337-W483 AromaticContact CD2-CE3 3.97Å; Y337-W483 HydrophobicContact CD2-CE3 3.97Å; Y337-W483 HydrophobicContact CD2-CG 4.34Å; Y337-W483 AromaticContact CD2-CH2 3.78Å; Y337-W483 HydrophobicContact CD2-CH2 3.78Å; Y337-W483 AromaticContact CD2-CZ2 3.45Å; Y337-W483 HydrophobicContact CD2-CZ2 3.45Å; Y337-W483 VanDerWaalsContact CD2-CZ2 3.45Å; Y337-W483 HydrophobicContact CD2-CZ3 4.03Å; Y337-W483 AromaticContact CD2-NE1 3.81Å; Y337-W483 HydrophobicContact CE2-CD2 4.28Å; Y337-W483 AromaticContact CE2-CE2 3.76Å; Y337-W483 HydrophobicContact CE2-CZ2 4.04Å; Y337-W483 AromaticContact CE2-NE1 3.69Å; Y337-W483 HydrophobicContact CG-CH2 4.36Å; Y337-W483 HydrophobicContact CG-CZ2 4.4Å; Y337-W483 HydrophobicContact CG-CZ3 4.49Å
338L85.5Confident78.1Confident23 Ų2358.5 Ų58.512%0.1230%0.304CS..Iπ-helixtrans-61.7-52.5177.2-63.1-177.6000110.8Y334 N335 V340 V342 E343 Y681Y334-L338 HydrophobicContact CD1-CD1 4.14Å; Y334-L338 HydrophobicContact CD1-CG 4.33Å; Y334-L338 HydrophobicContact CE1-CD1 3.78Å; Y334-L338 HydrophobicContact CE1-CD2 4.38Å; Y334-L338 HydrophobicContact CE1-CG 4.1Å; Y334-L338 PolarHBondContact O-N 2.82Å; N335-L338 WeakPolarHBondContact O-CA 3.45Å; N335-L338 WeakPolarHBondContact O-CB 3.2Å; N335-L338 PolarHBondContact O-N 3.45Å; L338-V340 PolarHBondContact O-N 2.66Å; L338-V342 HydrophobicContact CD2-CG2 3.98Å; L338-V342 CarbonylContact O-C 3.42Å; L338-V342 VanDerWaalsContact O-CA 3.28Å; L338-V342 WeakPolarHBondContact O-CA 3.29Å; L338-V342 VanDerWaalsContact O-CB 3.24Å; L338-V342 WeakPolarHBondContact O-CB 3.37Å; L338-V342 PolarHBondContact O-N 2.81Å; L338-E343 PolarHBondContact O-N 3.48Å; L338-Y681 VanDerWaalsContact CD1-O 3.25Å; L338-Y681 WeakPolarHBondContact CD1-O 3.46Å; L338-Y681 HydrophobicContact CD2-CD1 4.12Å
339D82.8Confident76.2Confident82 Ų8255.4 Ų55.444%0.43928%0.284SS..Iπ-helixtrans-62.6-46.4-175.9-50.9-17.3000111.4N335 E343N335-D339 PolarHBondContact O-N 3.07Å; D339-E343 WeakPolarHBondContact O-CB 3.14Å
340V78.8Confident74.4Confident37 Ų3756.3 Ų56.322%0.22429%0.29CS..Iπ-helixtrans-85.1-38.7-174.6174.90000113.1H336 L338 N344 V478H336-V340 WeakPolarHBondContact CE1-CG2 3.14Å; H336-V340 VanDerWaalsContact O-CB 3.26Å; H336-V340 WeakPolarHBondContact O-CB 3.47Å; H336-V340 WeakPolarHBondContact O-CG2 3.44Å; H336-V340 PolarHBondContact O-N 3.01Å; L338-V340 PolarHBondContact O-N 2.66Å; V340-N344 PolarHBondContact O-ND2 2.81Å; V340-V478 HydrophobicContact CG1-CG1 3.88Å
341V75.2Confident72.3Confident8 Ų863.9 Ų63.95%0.04832%0.323CS..Iπ-helixtrans-101.3-29.6-171.9-170.10000112.4Y337 L345 R480 W483Y337-V341 HydrophobicContact CD1-CB 4.35Å; Y337-V341 HydrophobicContact CD2-CB 4.21Å; Y337-V341 HydrophobicContact CD2-CG2 3.79Å; Y337-V341 HydrophobicContact CE1-CB 4.12Å; Y337-V341 HydrophobicContact CE1-CG1 4.23Å; Y337-V341 HydrophobicContact CE2-CB 3.98Å; Y337-V341 HydrophobicContact CE2-CG1 4.06Å; Y337-V341 HydrophobicContact CE2-CG2 3.73Å; Y337-V341 HydrophobicContact CG-CB 4.42Å; Y337-V341 HydrophobicContact CG-CG2 4.35Å; Y337-V341 WeakPolarHBondContact O-CA 3.5Å; Y337-V341 WeakPolarHBondContact O-CB 3.49Å; Y337-V341 PolarHBondContact O-N 2.72Å; V341-L345 VanDerWaalsContact O-CG 3.3Å; V341-L345 WeakPolarHBondContact O-CG 3.05Å; V341-R480 HydrophobicContact CG1-CG 4.46Å; V341-W483 HydrophobicContact CG2-CB 4.2Å; V341-W483 HydrophobicContact CG2-CG 4.14Å
342V71.9Confident70.4Confident14 Ų1464.4 Ų64.49%0.08533%0.331CS..Iπ-helixtrans-98.5-41.3-175.9-171.50000112.5Y337 L338 N344 L345 L350 Y681Y337-V342 HydrophobicContact CD1-CG2 4.23Å; Y337-V342 HydrophobicContact CE1-CG2 4.19Å; Y337-V342 PolarHBondContact O-N 3.14Å; L338-V342 HydrophobicContact CD2-CG2 3.98Å; L338-V342 CarbonylContact O-C 3.42Å; L338-V342 VanDerWaalsContact O-CA 3.28Å; L338-V342 WeakPolarHBondContact O-CA 3.29Å; L338-V342 VanDerWaalsContact O-CB 3.24Å; L338-V342 WeakPolarHBondContact O-CB 3.37Å; L338-V342 PolarHBondContact O-N 2.81Å; V342-N344 VanDerWaalsContact C-N 3.26Å; V342-N344 PolarHBondContact O-N 2.68Å; V342-L345 WeakPolarHBondContact O-CB 3.33Å; V342-L345 PolarHBondContact O-N 3.41Å; V342-L345 VanDerWaalsContact O-N 3.07Å; V342-L350 HydrophobicContact CG1-CD2 4.02Å; V342-Y681 HydrophobicContact CG1-CD1 3.86Å; V342-Y681 HydrophobicContact CG1-CE1 4.09Å; V342-Y681 HydrophobicContact CG1-CG 4.32Å; V342-Y681 HydrophobicContact CG2-CD1 3.89Å; V342-Y681 HydrophobicContact CG2-CE1 3.89Å
343E68Low68.4Low147 Ų14765.7 Ų65.769%0.68733%0.329SS*.THydrogen-bonded Turntrans-70-22.6176.3-60.3-164143.500113.4L338 D339 L345L338-E343 PolarHBondContact O-N 3.48Å; D339-E343 WeakPolarHBondContact O-CB 3.14Å; E343-L345 PolarHBondContact O-N 2.82Å
344N60.2Low66.7Low76 Ų7671.9 Ų71.941%0.40636%0.362SS..THydrogen-bonded Turntrans-82.16.3171.3-71.8-49000113.6V340 V342V340-N344 PolarHBondContact O-ND2 2.81Å; V342-N344 VanDerWaalsContact C-N 3.26Å; V342-N344 PolarHBondContact O-N 2.68Å
345L59.2Low65.7Low29 Ų2972.4 Ų72.415%0.15237%0.366CS..SBendtrans-90.4123171.4-69.7171.8000111.1V341 V342 E343 I347 S349 L350V341-L345 VanDerWaalsContact O-CG 3.3Å; V341-L345 WeakPolarHBondContact O-CG 3.05Å; V342-L345 WeakPolarHBondContact O-CB 3.33Å; V342-L345 PolarHBondContact O-N 3.41Å; V342-L345 VanDerWaalsContact O-N 3.07Å; E343-L345 PolarHBondContact O-N 2.82Å; L345-I347 PolarHBondContact O-N 3Å; L345-S349 VanDerWaalsContact CB-OG 3.3Å; L345-S349 WeakPolarHBondContact CB-OG 3.41Å; L345-S349 WeakPolarHBondContact CD2-OG 3.11Å; L345-L350 HydrophobicContact CB-CD1 4.42Å; L345-L350 HydrophobicContact CB-CG 4.05Å
346D54.6Low65.1Low120 Ų12070.9 Ų70.964%0.64236%0.357SS*.  trans-46.8142163.4-91.8-19.7000110.9K348 S349 L350D346-K348 HydrophobicContact CB-CB 4.46Å; D346-K348 PolarHBondContact O-N 2.97Å; D346-S349 PolarHBondContact N-OG 2.94Å; D346-S349 CarbonylContact O-C 3.55Å; D346-S349 WeakPolarHBondContact O-CA 3.25Å; D346-S349 PolarHBondContact O-N 3.11Å; D346-S349 PolarHBondContact O-OG 2.89Å; D346-L350 PolarHBondContact O-N 3.02Å
347I55.5Low64.5Low130 Ų13069.9 Ų69.967%0.66735%0.353SS*.Hα-helixtrans-54.3-29.9173.3-59.4172.3000111.1L345 K351L345-I347 PolarHBondContact O-N 3Å; I347-K351 WeakPolarHBondContact O-CG 3.47Å; I347-K351 PolarHBondContact O-N 3.03Å
348K47.9Very low64.1Low168 Ų16874.4 Ų74.473%0.7337%0.374SS*.Hα-helixtrans-67.8-34.8172.6-66.3173.7-175.9162.80113D346 K351D346-K348 HydrophobicContact CB-CB 4.46Å; D346-K348 PolarHBondContact O-N 2.97Å; K348-K351 PolarHBondContact O-N 3.15Å
349S50.4Low64Low36 Ų3673.3 Ų73.325%0.25237%0.368SS..Hα-helixtrans-83.7-29.1179.774.20000113.3L345 D346 K351 A352 S355L345-S349 VanDerWaalsContact CB-OG 3.3Å; L345-S349 WeakPolarHBondContact CB-OG 3.41Å; L345-S349 WeakPolarHBondContact CD2-OG 3.11Å; D346-S349 PolarHBondContact N-OG 2.94Å; D346-S349 CarbonylContact O-C 3.55Å; D346-S349 WeakPolarHBondContact O-CA 3.25Å; D346-S349 PolarHBondContact O-N 3.11Å; D346-S349 PolarHBondContact O-OG 2.89Å; S349-K351 PolarHBondContact O-N 2.84Å; S349-A352 VanDerWaalsContact O-CB 3.32Å; S349-A352 WeakPolarHBondContact O-CB 3.5Å; S349-A352 PolarHBondContact O-N 2.87Å; S349-S355 PolarHBondContact O-OG 2.99Å
350L51Low64.2Low72 Ų7270 Ų7038%0.37735%0.349SS..Hα-helixtrans-60.5-32.1164.2-85.3158.2000112.3V342 L345 D346 A352 Y681V342-L350 HydrophobicContact CG1-CD2 4.02Å; L345-L350 HydrophobicContact CB-CD1 4.42Å; L345-L350 HydrophobicContact CB-CG 4.05Å; D346-L350 PolarHBondContact O-N 3.02Å; L350-A352 VanDerWaalsContact C-N 3.3Å; L350-Y681 HydrophobicContact CD2-CE2 4.37Å
351K47.4Very low64.5Low160 Ų16071.9 Ų71.970%0.69636%0.356SS*.THydrogen-bonded Turntrans-76.1-11.3172.1-69.4174.8-179.3-174.90113.7I347 K348 S349I347-K351 WeakPolarHBondContact O-CG 3.47Å; I347-K351 PolarHBondContact O-N 3.03Å; K348-K351 PolarHBondContact O-N 3.15Å; S349-K351 PolarHBondContact O-N 2.84Å
352A50.1Low65.1Low44 Ų4472.7 Ų72.736%0.36436%0.362SS..SBendtrans-83.1123.1-175.500000111.8S349 L350 N354 S355S349-A352 VanDerWaalsContact O-CB 3.32Å; S349-A352 WeakPolarHBondContact O-CB 3.5Å; S349-A352 PolarHBondContact O-N 2.87Å; L350-A352 VanDerWaalsContact C-N 3.3Å; A352-N354 PolarHBondContact O-N 2.88Å; A352-S355 PolarHBondContact O-N 2.85Å; A352-S355 PolarHBondContact O-OG 2.92Å
353R50.4Low66Low117 Ų11772 Ų7244%0.44236%0.358SS..THydrogen-bonded Turntrans-54.9-8.6-176.7-60.2176.285.7149.93.7115.9D449 V452R353-D449 IonicContact CZ-OD1 2.84Å; R353-D449 IonicContact NH1-OD1 2.76Å; R353-D449 PolarHBondContact NH1-OD1 3.01Å; R353-D449 IonicContact NH2-OD1 3.99Å; R353-D449 PolarHBondContact NH2-OD1 3.37Å; R353-V452 HydrophobicContact CG-CG1 4.03Å; R353-V452 HydrophobicContact CG-CG2 4.22Å
354N56.1Low67.2Low131 Ų13166 Ų6670%0.70133%0.33SS*.THydrogen-bonded Turntrans-97.4-28.2-169.8-67.3-10000114.4A352A352-N354 PolarHBondContact O-N 2.88Å
355S69.3Low68.7Low11 Ų1163 Ų638%0.07731%0.314CS..Hα-helixtrans-70.8-51-179.444.60000111.4S349 A352 F357 Q358 D359S349-S355 PolarHBondContact O-OG 2.99Å; A352-S355 PolarHBondContact O-N 2.85Å; A352-S355 PolarHBondContact O-OG 2.92Å; S355-F357 PolarHBondContact O-N 3.26Å; S355-Q358 WeakPolarHBondContact O-CA 3.48Å; S355-Q358 WeakPolarHBondContact O-CB 3.29Å; S355-Q358 PolarHBondContact O-N 2.82Å; S355-D359 PolarHBondContact O-N 3Å; S355-D359 VanDerWaalsContact O-OD1 3.05Å
356L76.2Confident70.2Confident24 Ų2461.6 Ų61.613%0.12631%0.307CS..Hα-helixtrans-46.2-35.8-174.6178.462.2000114.9F360 W612 M644 L680 Y681L356-F360 WeakPolarHBondContact O-CB 3.41Å; L356-F360 PolarHBondContact O-N 2.98Å; L356-W612 HydrophobicContact CD2-CH2 4.4Å; L356-M644 HydrophobicContact CD1-CE 4.1Å; L356-M644 HydrophobicContact CD1-SD 4.31Å; L356-L680 HydrophobicContact CD1-CD1 3.88Å; L356-L680 HydrophobicContact CD2-CD1 3.96Å; L356-Y681 HydrophobicContact CD1-CE2 4.13Å
357F76.4Confident72Confident37 Ų3756 Ų5616%0.16228%0.276CS..Hα-helixtrans-74.7-34.7177.7-71.4-71.4000114.4S355 Q361 P447S355-F357 PolarHBondContact O-N 3.26Å; F357-Q361 WeakPolarHBondContact O-CB 3.45Å; F357-Q361 WeakPolarHBondContact O-CG 3.24Å; F357-Q361 PolarHBondContact O-N 3.28Å; F357-P447 HydrophobicContact CE2-CB 4.36Å; F357-P447 HydrophobicContact CE2-CG 3.62Å; F357-P447 HydrophobicContact CZ-CB 3.86Å; F357-P447 VanDerWaalsContact CZ-CD 3.45Å; F357-P447 HydrophobicContact CZ-CG 3.61Å
358Q79.6Confident73.8Confident96 Ų9649.9 Ų49.945%0.44925%0.245SC..Hα-helixtrans-70.1-41.5173.3-58.2-177.51.600109.8S355 Q361 S362S355-Q358 WeakPolarHBondContact O-CA 3.48Å; S355-Q358 WeakPolarHBondContact O-CB 3.29Å; S355-Q358 PolarHBondContact O-N 2.82Å; Q358-Q361 PolarHBondContact O-N 3.16Å; Q358-S362 WeakPolarHBondContact O-CB 2.98Å; Q358-S362 PolarHBondContact O-N 3Å; Q358-S362 PolarHBondContact O-OG 3.42Å
359D83.5Confident75.9Confident0 Ų041.9 Ų41.90%021%0.21CC..Hα-helixtrans-65.2-47.6179.3-47.4-11.2000110.3Y337 S355 Q361 S362 L363 R480 Y681Y337-D359 HydrophobicContact CE1-CB 4.08Å; Y337-D359 WeakPolarHBondContact OH-CA 3.4Å; Y337-D359 PolarHBondContact OH-OD1 3.26Å; S355-D359 PolarHBondContact O-N 3Å; S355-D359 VanDerWaalsContact O-OD1 3.05Å; D359-Q361 PolarHBondContact O-N 2.85Å; D359-S362 PolarHBondContact O-N 2.95Å; D359-L363 WeakPolarHBondContact O-CB 3.45Å; D359-L363 VanDerWaalsContact O-CG 3.32Å; D359-L363 WeakPolarHBondContact O-CG 3.28Å; D359-L363 PolarHBondContact O-N 3.4Å; D359-R480 IonicContact OD1-CZ 2.68Å; D359-R480 IonicContact OD1-NH1 3.93Å; D359-R480 PolarHBondContact OD1-NH1 2.91Å; D359-R480 IonicContact OD1-NH2 3.26Å; D359-Y681 HydrophobicContact CB-CE1 4.05Å; D359-Y681 PolarHBondContact OD2-OH 2.95Å
360F86.8Confident77.9Confident12 Ų1240.2 Ų40.25%0.05320%0.198CC..Hα-helixtrans-55.9-46.1171170.5-105.8000112.4L356 Q364 W367 W612 M644 I648L356-F360 WeakPolarHBondContact O-CB 3.41Å; L356-F360 PolarHBondContact O-N 2.98Å; F360-Q364 WeakPolarHBondContact O-CB 3.37Å; F360-Q364 PolarHBondContact O-N 3.37Å; F360-W367 AromaticContact CD2-CH2 3.94Å; F360-W367 HydrophobicContact CD2-CH2 3.94Å; F360-W367 HydrophobicContact CD2-CZ2 4.2Å; F360-W367 HydrophobicContact CE2-CH2 4.05Å; F360-W367 AromaticContact CE2-CZ2 3.84Å; F360-W367 HydrophobicContact CE2-CZ2 3.84Å; F360-W612 AromaticContact CD1-NE1 3.57Å; F360-W612 HydrophobicContact CD2-CZ2 4.27Å; F360-W612 AromaticContact CD2-NE1 3.86Å; F360-W612 AromaticContact CE1-CD1 3.98Å; F360-W612 AromaticContact CE1-NE1 3.46Å; F360-W612 AromaticContact CE2-NE1 3.77Å; F360-W612 HydrophobicContact CG-CZ2 4.32Å; F360-W612 AromaticContact CG-NE1 3.77Å; F360-W612 AromaticContact CZ-NE1 3.57Å; F360-M644 HydrophobicContact CB-SD 3.92Å; F360-M644 HydrophobicContact CD2-SD 3.98Å; F360-M644 HydrophobicContact CG-SD 4.46Å; F360-I648 HydrophobicContact CD2-CD1 3.38Å; F360-I648 HydrophobicContact CE2-CD1 3.24Å; F360-I648 HydrophobicContact CG-CD1 4.48Å; F360-I648 HydrophobicContact CZ-CD1 4.24Å
361Q85.8Confident79.8Confident77 Ų7739.9 Ų39.936%0.3619%0.192SC..Hα-helixtrans-64.4-41.1179.2-76.6169.931.400112.1F357 Q358 D359 L365F357-Q361 WeakPolarHBondContact O-CB 3.45Å; F357-Q361 WeakPolarHBondContact O-CG 3.24Å; F357-Q361 PolarHBondContact O-N 3.28Å; Q358-Q361 PolarHBondContact O-N 3.16Å; D359-Q361 PolarHBondContact O-N 2.85Å; Q361-L365 WeakPolarHBondContact O-CG 3.49Å; Q361-L365 PolarHBondContact O-N 3.05Å
362S87.6Confident81.8Confident26 Ų2632.3 Ų32.318%0.18216%0.159CC..Hα-helixtrans-66.1-51.8178.9-570000110.9Y337 Q358 D359 Q364 L365 V366Y337-S362 VanDerWaalsContact CE2-CB 3.49Å; Y337-S362 PolarHBondContact OH-OG 2.83Å; Q358-S362 WeakPolarHBondContact O-CB 2.98Å; Q358-S362 PolarHBondContact O-N 3Å; Q358-S362 PolarHBondContact O-OG 3.42Å; D359-S362 PolarHBondContact O-N 2.95Å; S362-Q364 VanDerWaalsContact C-N 3.31Å; S362-Q364 PolarHBondContact O-N 3.29Å; S362-L365 WeakPolarHBondContact O-CB 3.38Å; S362-L365 PolarHBondContact O-N 2.79Å; S362-L365 VanDerWaalsContact O-N 3.16Å; S362-V366 PolarHBondContact O-N 3.37Å
363L90.6Very high83.7Confident0 Ų030.4 Ų30.40%014%0.143CC..Hα-helixtrans-65.3-33.6179-65.4174.2000112.2Y334 Y337 D359 L365 V366 W367 M644Y334-L363 HydrophobicContact CD2-CD2 3.74Å; Y334-L363 HydrophobicContact CE2-CB 4.13Å; Y334-L363 HydrophobicContact CE2-CD1 4.14Å; Y334-L363 HydrophobicContact CE2-CD2 3.73Å; Y334-L363 HydrophobicContact CE2-CG 4.23Å; Y334-L363 HydrophobicContact CG-CD2 4.28Å; Y337-L363 HydrophobicContact CD1-CD1 4.13Å; Y337-L363 HydrophobicContact CD1-CD2 3.36Å; Y337-L363 HydrophobicContact CD1-CG 3.69Å; Y337-L363 HydrophobicContact CE1-CD1 4.32Å; Y337-L363 HydrophobicContact CE1-CD2 4.14Å; Y337-L363 HydrophobicContact CE1-CG 3.96Å; Y337-L363 HydrophobicContact CG-CD2 3.6Å; Y337-L363 HydrophobicContact CG-CG 4.29Å; D359-L363 WeakPolarHBondContact O-CB 3.45Å; D359-L363 VanDerWaalsContact O-CG 3.32Å; D359-L363 WeakPolarHBondContact O-CG 3.28Å; D359-L363 PolarHBondContact O-N 3.4Å; L363-L365 VanDerWaalsContact C-N 3.28Å; L363-L365 PolarHBondContact O-N 3.28Å; L363-V366 WeakPolarHBondContact O-CA 3.18Å; L363-V366 WeakPolarHBondContact O-CB 3.34Å; L363-V366 PolarHBondContact O-N 3.44Å; L363-V366 VanDerWaalsContact O-N 3.08Å; L363-W367 VanDerWaalsContact C-CE3 3.44Å; L363-W367 HydrophobicContact CB-CE3 3.81Å; L363-W367 HydrophobicContact CB-CH2 4.07Å; L363-W367 HydrophobicContact CB-CZ3 3.34Å; L363-W367 VanDerWaalsContact O-CD2 3.23Å; L363-W367 PolarHBondContact O-N 3.32Å; L363-M644 HydrophobicContact CD1-CE 3.86Å
364Q91.7Very high85.5Confident19 Ų1927 Ų279%0.08913%0.133CC..Hα-helixtrans-60.7-36.2173.9-173.9-171.85.700112.4F360 S362 W367 N368 D609F360-Q364 WeakPolarHBondContact O-CB 3.37Å; F360-Q364 PolarHBondContact O-N 3.37Å; S362-Q364 VanDerWaalsContact C-N 3.31Å; S362-Q364 PolarHBondContact O-N 3.29Å; Q364-W367 VanDerWaalsContact CA-CE2 3.42Å; Q364-W367 HydrophobicContact CB-CH2 4.37Å; Q364-W367 HydrophobicContact CB-CZ2 3.75Å; Q364-W367 HydrophobicContact CG-CZ2 4.14Å; Q364-N368 WeakPolarHBondContact O-CB 3.47Å; Q364-N368 PolarHBondContact O-N 3.41Å; Q364-N368 PolarHBondContact O-ND2 2.69Å; Q364-D609 PolarHBondContact NE2-OD2 3.16Å
365L92.1Very high87Confident14 Ų1422.4 Ų22.47%0.07311%0.109CC..Hα-helixtrans-67.4-42.3173.6-62.7166.1000110.5Q361 S362 L363 H369 A372 L373 H376 I527Q361-L365 WeakPolarHBondContact O-CG 3.49Å; Q361-L365 PolarHBondContact O-N 3.05Å; S362-L365 WeakPolarHBondContact O-CB 3.38Å; S362-L365 PolarHBondContact O-N 2.79Å; S362-L365 VanDerWaalsContact O-N 3.16Å; L363-L365 VanDerWaalsContact C-N 3.28Å; L363-L365 PolarHBondContact O-N 3.28Å; L365-H369 CarbonylContact O-C 3.55Å; L365-H369 PolarHBondContact O-N 3.48Å; L365-A372 HydrophobicContact CB-CB 4.1Å; L365-A372 HydrophobicContact CD2-CB 3.7Å; L365-L373 HydrophobicContact CB-CD2 3.67Å; L365-L373 HydrophobicContact CB-CG 4.08Å; L365-L373 HydrophobicContact CD1-CD2 4.09Å; L365-H376 HydrophobicContact CD1-CB 3.64Å; L365-H376 HydrophobicContact CD2-CB 4.47Å; L365-I527 HydrophobicContact CD2-CD1 4.33Å; L365-I527 HydrophobicContact CD2-CG2 4.35Å
366V92Very high87.9Confident0 Ų025.3 Ų25.30%012%0.121CC..Hα-helixtrans-58.2-58.5177.2-179.50000112Q330 L333 S362 L363 N368 H369 L373 W483Q330-V366 PolarHBondContact NE2-O 2.76Å; L333-V366 HydrophobicContact CB-CG1 3.73Å; S362-V366 PolarHBondContact O-N 3.37Å; L363-V366 WeakPolarHBondContact O-CA 3.18Å; L363-V366 WeakPolarHBondContact O-CB 3.34Å; L363-V366 PolarHBondContact O-N 3.44Å; L363-V366 VanDerWaalsContact O-N 3.08Å; V366-N368 VanDerWaalsContact C-N 3.28Å; V366-N368 PolarHBondContact O-N 3.1Å; V366-H369 PolarHBondContact O-N 3.41Å; V366-L373 HydrophobicContact CG2-CD1 4.11Å; V366-L373 HydrophobicContact CG2-CD2 4.41Å; V366-W483 HydrophobicContact CG2-CH2 3.66Å; V366-W483 HydrophobicContact CG2-CZ2 4.16Å
367W92.3Very high88.4Confident2 Ų227.4 Ų27.41%0.00813%0.13CC..Hα-helixtrans-72.2-21.6-174.566.165.3000113.7L326 Q330 Y334 F360 L363 Q364 A640 M644 E645L326-W367 HydrophobicContact CD2-CB 3.61Å; Q330-W367 VanDerWaalsContact NE2-C 3.26Å; Q330-W367 PolarHBondContact NE2-O 3.11Å; Y334-W367 HydrophobicContact CD2-CE3 4.29Å; Y334-W367 AromaticContact CE2-CE3 3.7Å; Y334-W367 HydrophobicContact CE2-CE3 3.7Å; Y334-W367 AromaticContact CE2-CZ3 3.95Å; Y334-W367 HydrophobicContact CE2-CZ3 3.95Å; F360-W367 AromaticContact CD2-CH2 3.94Å; F360-W367 HydrophobicContact CD2-CH2 3.94Å; F360-W367 HydrophobicContact CD2-CZ2 4.2Å; F360-W367 HydrophobicContact CE2-CH2 4.05Å; F360-W367 AromaticContact CE2-CZ2 3.84Å; F360-W367 HydrophobicContact CE2-CZ2 3.84Å; L363-W367 VanDerWaalsContact C-CE3 3.44Å; L363-W367 HydrophobicContact CB-CE3 3.81Å; L363-W367 HydrophobicContact CB-CH2 4.07Å; L363-W367 HydrophobicContact CB-CZ3 3.34Å; L363-W367 VanDerWaalsContact O-CD2 3.23Å; L363-W367 PolarHBondContact O-N 3.32Å; Q364-W367 VanDerWaalsContact CA-CE2 3.42Å; Q364-W367 HydrophobicContact CB-CH2 4.37Å; Q364-W367 HydrophobicContact CB-CZ2 3.75Å; Q364-W367 HydrophobicContact CG-CZ2 4.14Å; W367-A640 HydrophobicContact CB-CB 3.89Å; W367-A640 HydrophobicContact CG-CB 3.98Å; W367-M644 HydrophobicContact CH2-CB 3.88Å; W367-M644 HydrophobicContact CH2-CG 4.49Å; W367-M644 HydrophobicContact CZ3-CB 3.82Å; W367-E645 HydrophobicContact CD2-CB 4.36Å; W367-E645 HydrophobicContact CH2-CB 4.31Å; W367-E645 HydrophobicContact CZ2-CB 3.73Å; W367-E645 HydrophobicContact CZ2-CG 4.35Å; W367-E645 PolarHBondContact NE1-OE1 2.9Å
368N92.4Very high88.8Confident2 Ų227.7 Ų27.71%0.01114%0.139CC..Hα-helixtrans-75-53.9172.7-78.5-16.9000111.7Q364 V366 S499 K501 M528 F608Q364-N368 WeakPolarHBondContact O-CB 3.47Å; Q364-N368 PolarHBondContact O-N 3.41Å; Q364-N368 PolarHBondContact O-ND2 2.69Å; V366-N368 VanDerWaalsContact C-N 3.28Å; V366-N368 PolarHBondContact O-N 3.1Å; N368-S499 WeakPolarHBondContact O-CB 3.09Å; N368-S499 PolarHBondContact O-OG 3.34Å; N368-K501 PolarHBondContact OD1-NZ 3.06Å; N368-K501 VanDerWaalsContact OD1-NZ 3.12Å; N368-M528 HydrophobicContact CB-SD 3.78Å; N368-F608 HydrophobicContact CB-CE1 4.08Å
369H92.5Very high89Confident0 Ų024.6 Ų24.60%013%0.126CC..  trans-176.1135.8170.7-172.2-86000111.2L365 V366 R371 A372 C493 R495 S499 L502 L531 F535L365-H369 CarbonylContact O-C 3.55Å; L365-H369 PolarHBondContact O-N 3.48Å; V366-H369 PolarHBondContact O-N 3.41Å; H369-R371 VanDerWaalsContact C-N 3.32Å; H369-R371 WeakPolarHBondContact ND1-CB 2.95Å; H369-R371 PolarHBondContact ND1-N 3.25Å; H369-R371 PolarHBondContact O-N 3.5Å; H369-R371 VanDerWaalsContact O-N 3.11Å; H369-A372 WeakPolarHBondContact O-CB 2.93Å; H369-A372 PolarHBondContact O-N 3.23Å; H369-C493 PolarHBondContact CE1-O 3.12Å; H369-R495 PolarHBondContact NE2-O 2.91Å; H369-R495 VanDerWaalsContact NE2-O 3.15Å; H369-S499 VanDerWaalsContact CD2-CB 3.5Å; H369-S499 WeakPolarHBondContact CD2-CB 3.49Å; H369-L502 HydrophobicContact CB-CD1 4.24Å; H369-L531 HydrophobicContact CB-CD2 3.63Å; H369-F535 AromaticContact CE1-CZ 3.82Å; H369-F535 AromaticContact NE2-CE2 3.94Å; H369-F535 AromaticContact NE2-CZ 3.61Å
370P91.6Very high88.9Confident0 Ų026.5 Ų26.50%014%0.139CC..THydrogen-bonded Turntrans-50.2-42.7-178.2-31.137.5000115.4Q330 L333 A372 L373 L498Q330-P370 HydrophobicContact CG-CG 3.96Å; L333-P370 HydrophobicContact CD1-CB 3.74Å; L333-P370 HydrophobicContact CD1-CG 3.81Å; P370-A372 PolarHBondContact O-N 3.43Å; P370-L373 WeakPolarHBondContact O-CB 3.46Å; P370-L373 PolarHBondContact O-N 3.08Å; P370-L498 VanDerWaalsContact CD-O 3.26Å; P370-L498 WeakPolarHBondContact CD-O 3.37Å; P370-L498 HydrophobicContact CG-CB 4.26Å
371R90.5Very high88.7Confident65 Ų6534.2 Ų34.225%0.24517%0.169CC..Hα-helixtrans-51.2-26.3173.4-167.566.7-154.6-162.418.1114.9H369 L373 L374 L375 C493 D494 L531H369-R371 VanDerWaalsContact C-N 3.32Å; H369-R371 WeakPolarHBondContact ND1-CB 2.95Å; H369-R371 PolarHBondContact ND1-N 3.25Å; H369-R371 PolarHBondContact O-N 3.5Å; H369-R371 VanDerWaalsContact O-N 3.11Å; R371-L373 PolarHBondContact O-N 2.92Å; R371-L374 PolarHBondContact O-N 2.71Å; R371-L375 HydrophobicContact CG-CD1 4.47Å; R371-L375 HydrophobicContact CG-CG 4.43Å; R371-L375 PolarHBondContact O-N 3.15Å; R371-C493 HydrophobicContact CB-CB 4.17Å; R371-C493 WeakPolarHBondContact CB-O 3.1Å; R371-C493 WeakPolarHBondContact CD-O 3.45Å; R371-D494 WeakPolarHBondContact CD-OD1 3.4Å; R371-D494 IonicContact CZ-OD1 3.78Å; R371-D494 IonicContact NE-OD1 3.42Å; R371-D494 IonicContact NH1-OD1 2.75Å; R371-D494 PolarHBondContact NH1-OD1 2.99Å; R371-D494 IonicContact NH1-OD2 3.68Å; R371-L531 HydrophobicContact CB-CD1 4Å; R371-L531 HydrophobicContact CB-CD2 4.32Å; R371-L531 HydrophobicContact CG-CD1 3.73Å
372A90.9Very high88.6Confident1 Ų137.6 Ų37.61%0.00818%0.178CC..Hα-helixtrans-64.7-29.2179.500000112L365 H369 P370 L375 H376 I527 L531L365-A372 HydrophobicContact CB-CB 4.1Å; L365-A372 HydrophobicContact CD2-CB 3.7Å; H369-A372 WeakPolarHBondContact O-CB 2.93Å; H369-A372 PolarHBondContact O-N 3.23Å; P370-A372 PolarHBondContact O-N 3.43Å; A372-L375 PolarHBondContact O-N 3.4Å; A372-H376 VanDerWaalsContact O-CB 3.31Å; A372-H376 WeakPolarHBondContact O-CB 3.31Å; A372-H376 PolarHBondContact O-N 3.48Å; A372-I527 HydrophobicContact CB-CG2 4.21Å; A372-L531 HydrophobicContact CB-CD2 4.33Å
373L89.4Confident88.2Confident5 Ų542 Ų423%0.02619%0.194CC..Hα-helixtrans-63-50.5171.7-64.4166.7000111L365 V366 P370 R371 L375 H376 E377 W483 F484 T488L365-L373 HydrophobicContact CB-CD2 3.67Å; L365-L373 HydrophobicContact CB-CG 4.08Å; L365-L373 HydrophobicContact CD1-CD2 4.09Å; V366-L373 HydrophobicContact CG2-CD1 4.11Å; V366-L373 HydrophobicContact CG2-CD2 4.41Å; P370-L373 WeakPolarHBondContact O-CB 3.46Å; P370-L373 PolarHBondContact O-N 3.08Å; R371-L373 PolarHBondContact O-N 2.92Å; L373-L375 VanDerWaalsContact C-N 3.31Å; L373-L375 PolarHBondContact O-N 2.64Å; L373-H376 WeakPolarHBondContact O-CB 3.46Å; L373-H376 PolarHBondContact O-N 3.36Å; L373-H376 VanDerWaalsContact O-N 3.09Å; L373-E377 PolarHBondContact O-N 2.92Å; L373-W483 HydrophobicContact CD1-CH2 4.2Å; L373-W483 HydrophobicContact CD1-CZ2 4.23Å; L373-W483 HydrophobicContact CD2-CZ2 4.01Å; L373-F484 HydrophobicContact CB-CD1 4.47Å; L373-F484 HydrophobicContact CB-CD2 4.06Å; L373-F484 HydrophobicContact CB-CE2 4.18Å; L373-F484 HydrophobicContact CB-CG 4.24Å; L373-F484 HydrophobicContact CB-CZ 4.42Å; L373-F484 HydrophobicContact CD1-CB 3.87Å; L373-F484 HydrophobicContact CD1-CD2 4.35Å; L373-F484 HydrophobicContact CD1-CG 3.99Å; L373-F484 HydrophobicContact CD2-CD1 4.41Å; L373-T488 HydrophobicContact CD1-CG2 4.49Å
374L88.3Confident87.7Confident44 Ų4445.6 Ų45.623%0.2322%0.216CC..Hα-helixtrans-62.4-35.9178-62.3175.1000112.6R371 A378 F484 C493R371-L374 PolarHBondContact O-N 2.71Å; L374-A378 WeakPolarHBondContact O-CB 3.31Å; L374-A378 PolarHBondContact O-N 2.91Å; L374-A378 VanDerWaalsContact O-N 3.16Å; L374-F484 HydrophobicContact CD2-CE2 4.05Å; L374-C493 HydrophobicContact CD1-CB 3.95Å
375L87.3Confident87.1Confident35 Ų3549.4 Ų49.418%0.18323%0.233CC..Hα-helixtrans-70.2-38.4173-70.4176.8000112R371 A372 L373 A378 D379 I527 L531R371-L375 HydrophobicContact CG-CD1 4.47Å; R371-L375 HydrophobicContact CG-CG 4.43Å; R371-L375 PolarHBondContact O-N 3.15Å; A372-L375 PolarHBondContact O-N 3.4Å; L373-L375 VanDerWaalsContact C-N 3.31Å; L373-L375 PolarHBondContact O-N 2.64Å; L375-A378 PolarHBondContact O-N 3.05Å; L375-D379 WeakPolarHBondContact O-CB 3.39Å; L375-D379 PolarHBondContact O-N 2.97Å; L375-I527 HydrophobicContact CB-CG2 3.73Å; L375-I527 HydrophobicContact CD1-CG2 4.26Å; L375-L531 HydrophobicContact CD1-CB 3.94Å; L375-L531 HydrophobicContact CD1-CD1 3.89Å; L375-L531 HydrophobicContact CD1-CG 4.39Å
376H87.5Confident86.4Confident72 Ų7253.1 Ų53.133%0.33325%0.253SS..Hα-helixtrans-63.6-43.5176.1-177.7-86.2000112L365 A372 L373 S380 I527L365-H376 HydrophobicContact CD1-CB 3.64Å; L365-H376 HydrophobicContact CD2-CB 4.47Å; A372-H376 VanDerWaalsContact O-CB 3.31Å; A372-H376 WeakPolarHBondContact O-CB 3.31Å; A372-H376 PolarHBondContact O-N 3.48Å; L373-H376 WeakPolarHBondContact O-CB 3.46Å; L373-H376 PolarHBondContact O-N 3.36Å; L373-H376 VanDerWaalsContact O-N 3.09Å; H376-S380 VanDerWaalsContact O-CB 3.32Å; H376-S380 WeakPolarHBondContact O-CB 3.41Å; H376-S380 PolarHBondContact O-N 2.9Å; H376-S380 PolarHBondContact O-OG 3.33Å; H376-I527 HydrophobicContact CB-CD1 3.81Å
377E86.7Confident85.6Confident69 Ų6959.3 Ų59.332%0.32228%0.281SS..Hα-helixtrans-60.6-50.9174.8-175.4176-16500111L373 D379 S380 Y381 F484 K485L373-E377 PolarHBondContact O-N 2.92Å; E377-D379 PolarHBondContact O-N 3.18Å; E377-S380 WeakPolarHBondContact O-CB 3.44Å; E377-S380 PolarHBondContact O-N 3.16Å; E377-S380 VanDerWaalsContact O-N 3.08Å; E377-Y381 PolarHBondContact O-N 3.35Å; E377-F484 HydrophobicContact CB-CZ 4.33Å; E377-K485 WeakPolarHBondContact OE1-CE 3.3Å; E377-K485 IonicContact OE1-NZ 3.66Å; E377-K485 PolarHBondContact OE1-NZ 2.68Å
378A85.6Confident84.7Confident42 Ų4264.8 Ų64.835%0.34731%0.307SS..Hα-helixtrans-61.5-41.3179.600000113.3L374 L375 S380 R382L374-A378 WeakPolarHBondContact O-CB 3.31Å; L374-A378 PolarHBondContact O-N 2.91Å; L374-A378 VanDerWaalsContact O-N 3.16Å; L375-A378 PolarHBondContact O-N 3.05Å; A378-S380 VanDerWaalsContact C-N 3.29Å; A378-S380 PolarHBondContact O-N 3.31Å; A378-R382 VanDerWaalsContact O-CG 3.28Å; A378-R382 WeakPolarHBondContact O-CG 3.49Å; A378-R382 PolarHBondContact O-N 2.91Å; A378-R382 VanDerWaalsContact O-N 3.08Å
379D84Confident83.7Confident31 Ų3169.3 Ų69.317%0.16633%0.328CS..Hα-helixtrans-73.2-20.7176-78.2-10.1000112.8L375 E377 R382 K383L375-D379 WeakPolarHBondContact O-CB 3.39Å; L375-D379 PolarHBondContact O-N 2.97Å; E377-D379 PolarHBondContact O-N 3.18Å; D379-R382 IonicContact OD1-CZ 3.92Å; D379-R382 IonicContact OD1-NH1 2.92Å; D379-R382 PolarHBondContact OD1-NH1 3.49Å; D379-K383 WeakPolarHBondContact O-CD 3.34Å; D379-K383 WeakPolarHBondContact O-CE 3.28Å; D379-K383 VanDerWaalsContact O-CG 3.29Å; D379-K383 WeakPolarHBondContact O-CG 3.29Å
380S82.2Confident82.4Confident41 Ų4173.9 Ų73.929%0.28735%0.352SS..Hα-helixtrans-77.1-47171.8-590000110.8H376 E377 A378 R382 K383 V384H376-S380 VanDerWaalsContact O-CB 3.32Å; H376-S380 WeakPolarHBondContact O-CB 3.41Å; H376-S380 PolarHBondContact O-N 2.9Å; H376-S380 PolarHBondContact O-OG 3.33Å; E377-S380 WeakPolarHBondContact O-CB 3.44Å; E377-S380 PolarHBondContact O-N 3.16Å; E377-S380 VanDerWaalsContact O-N 3.08Å; A378-S380 VanDerWaalsContact C-N 3.29Å; A378-S380 PolarHBondContact O-N 3.31Å; S380-R382 VanDerWaalsContact C-N 3.32Å; S380-R382 PolarHBondContact O-N 3.4Å; S380-K383 PolarHBondContact O-N 2.94Å; S380-K383 VanDerWaalsContact O-N 3.17Å; S380-V384 PolarHBondContact O-N 2.81Å
381Y82.6Confident80.8Confident173 Ų17378 Ų7868%0.67838%0.377SS*.Hα-helixtrans-57.9-42.2175.4-174.2-94000112.4E377 K383 V384 K385E377-Y381 PolarHBondContact O-N 3.35Å; Y381-K383 PolarHBondContact O-N 3.1Å; Y381-V384 PolarHBondContact O-N 3.38Å; Y381-K385 PolarHBondContact O-N 3.36Å; Y381-K385 VanDerWaalsContact O-N 3.08Å
382R82.3Confident79.1Confident148 Ų14877.8 Ų77.856%0.55839%0.386SS*.Hα-helixtrans-57.8-44.9174.7-76.6167.6175.8165.5-4.9112.9A378 D379 S380 K385 D386A378-R382 VanDerWaalsContact O-CG 3.28Å; A378-R382 WeakPolarHBondContact O-CG 3.49Å; A378-R382 PolarHBondContact O-N 2.91Å; A378-R382 VanDerWaalsContact O-N 3.08Å; D379-R382 IonicContact OD1-CZ 3.92Å; D379-R382 IonicContact OD1-NH1 2.92Å; D379-R382 PolarHBondContact OD1-NH1 3.49Å; S380-R382 VanDerWaalsContact C-N 3.32Å; S380-R382 PolarHBondContact O-N 3.4Å; R382-K385 PolarHBondContact O-N 2.95Å; R382-D386 WeakPolarHBondContact O-CB 3.41Å; R382-D386 VanDerWaalsContact O-CG 3.24Å; R382-D386 PolarHBondContact O-N 2.94Å
383K79.8Confident77.3Confident118 Ų11882 Ų8251%0.51341%0.412SS..Hα-helixtrans-64.8-41.4-179.5-69.5163.4-167.3159.50112.1D379 S380 Y381 K385 D386 E387D379-K383 WeakPolarHBondContact O-CD 3.34Å; D379-K383 WeakPolarHBondContact O-CE 3.28Å; D379-K383 VanDerWaalsContact O-CG 3.29Å; D379-K383 WeakPolarHBondContact O-CG 3.29Å; S380-K383 PolarHBondContact O-N 2.94Å; S380-K383 VanDerWaalsContact O-N 3.17Å; Y381-K383 PolarHBondContact O-N 3.1Å; K383-K385 VanDerWaalsContact C-N 3.34Å; K383-D386 PolarHBondContact O-N 3.38Å; K383-E387 WeakPolarHBondContact O-CB 3.2Å; K383-E387 WeakPolarHBondContact O-CG 3.39Å; K383-E387 PolarHBondContact O-N 2.98Å
384V80.5Confident75.3Confident77 Ų7786.2 Ų86.247%0.46744%0.438SS..Hα-helixtrans-60.1-47.3175.7176.60000109.8S380 Y381 D386 E387 E388S380-V384 PolarHBondContact O-N 2.81Å; Y381-V384 PolarHBondContact O-N 3.38Å; V384-D386 PolarHBondContact O-N 3.08Å; V384-E387 PolarHBondContact O-N 3.03Å; V384-E387 VanDerWaalsContact O-N 3.16Å; V384-E388 WeakPolarHBondContact O-CG 3.38Å; V384-E388 PolarHBondContact O-N 2.93Å
385K78.8Confident73.2Confident98 Ų9888.1 Ų88.143%0.42646%0.455SS..Hα-helixtrans-61.6-42.9176.1-167.2175.6-172.2-90.10113.1Y381 R382 K383 E387 E388 E389Y381-K385 PolarHBondContact O-N 3.36Å; Y381-K385 VanDerWaalsContact O-N 3.08Å; R382-K385 PolarHBondContact O-N 2.95Å; K383-K385 VanDerWaalsContact C-N 3.34Å; K385-E387 VanDerWaalsContact C-N 3.26Å; K385-E387 PolarHBondContact O-N 2.95Å; K385-E388 PolarHBondContact O-N 3.47Å; K385-E389 IonicContact NZ-OE1 2.64Å; K385-E389 PolarHBondContact NZ-OE1 3.35Å; K385-E389 WeakPolarHBondContact O-CB 3.44Å; K385-E389 WeakPolarHBondContact O-CG 3.3Å; K385-E389 PolarHBondContact O-N 3.11Å
386D77.9Confident71.2Confident93 Ų9391.2 Ų91.250%0.49748%0.479SS..Hα-helixtrans-62.7-32.8176.1-70.4-10.8000111.8R382 K383 V384 L390R382-D386 WeakPolarHBondContact O-CB 3.41Å; R382-D386 VanDerWaalsContact O-CG 3.24Å; R382-D386 PolarHBondContact O-N 2.94Å; K383-D386 PolarHBondContact O-N 3.38Å; V384-D386 PolarHBondContact O-N 3.08Å; D386-L390 WeakPolarHBondContact O-CB 3.44Å; D386-L390 PolarHBondContact O-N 2.8Å; D386-L390 VanDerWaalsContact O-N 3.08Å
387E73.7Confident68.8Low129 Ų12991.5 Ų91.560%0.60349%0.489SS*.Hα-helixtrans-76.5-36.4176-73.8176.1-174.800112.3K383 V384 K385 L390 T391K383-E387 WeakPolarHBondContact O-CB 3.2Å; K383-E387 WeakPolarHBondContact O-CG 3.39Å; K383-E387 PolarHBondContact O-N 2.98Å; V384-E387 PolarHBondContact O-N 3.03Å; V384-E387 VanDerWaalsContact O-N 3.16Å; K385-E387 VanDerWaalsContact C-N 3.26Å; K385-E387 PolarHBondContact O-N 2.95Å; E387-L390 PolarHBondContact O-N 3.3Å; E387-T391 WeakPolarHBondContact O-CB 3.12Å; E387-T391 WeakPolarHBondContact O-CG2 3.18Å; E387-T391 PolarHBondContact O-N 3.32Å; E387-T391 PolarHBondContact O-OG1 2.94Å
388E73.8Confident66.2Low118 Ų11893 Ų9355%0.55151%0.508SS*.Hα-helixtrans-66-40.6171.4-71.8173.5-178.800112.1V384 K385 T391 S392V384-E388 WeakPolarHBondContact O-CG 3.38Å; V384-E388 PolarHBondContact O-N 2.93Å; K385-E388 PolarHBondContact O-N 3.47Å; E388-T391 WeakPolarHBondContact CA-OG1 3.43Å; E388-T391 PolarHBondContact O-OG1 2.77Å; E388-T391 VanDerWaalsContact O-OG1 3.1Å; E388-S392 WeakPolarHBondContact O-CB 3.46Å; E388-S392 PolarHBondContact O-N 3.12Å; E388-S392 PolarHBondContact O-OG 3.4Å
389E71.8Confident63.4Low97 Ų9797 Ų9745%0.45353%0.531SS..Hα-helixtrans-68.8-34.8174.4-73.3-177.3-163.600112.4K385 S392 T393K385-E389 IonicContact NZ-OE1 2.64Å; K385-E389 PolarHBondContact NZ-OE1 3.35Å; K385-E389 WeakPolarHBondContact O-CB 3.44Å; K385-E389 WeakPolarHBondContact O-CG 3.3Å; K385-E389 PolarHBondContact O-N 3.11Å; E389-S392 WeakPolarHBondContact CA-OG 3.33Å; E389-S392 PolarHBondContact O-OG 2.89Å; E389-S392 VanDerWaalsContact O-OG 3.12Å; E389-T393 WeakPolarHBondContact O-CG2 3.49Å; E389-T393 PolarHBondContact O-N 3.07Å; E389-T393 PolarHBondContact O-OG1 2.87Å
390L64.4Low60.9Low95 Ų95100.9 Ų100.950%0.49756%0.561SS.*Hα-helixtrans-69.3-43.4173-115.385.3000112.8D386 E387 T393 T394D386-L390 WeakPolarHBondContact O-CB 3.44Å; D386-L390 PolarHBondContact O-N 2.8Å; D386-L390 VanDerWaalsContact O-N 3.08Å; E387-L390 PolarHBondContact O-N 3.3Å; L390-T393 PolarHBondContact O-OG1 3.23Å; L390-T394 PolarHBondContact O-N 3.35Å; L390-T394 VanDerWaalsContact O-N 3.12Å; L390-T394 PolarHBondContact O-OG1 3.49Å; L390-T394 VanDerWaalsContact O-OG1 3.12Å
391T59.3Low58.4Low86 Ų86104.7 Ų104.753%0.52859%0.588SS.*Hα-helixtrans-68.2-45.7-176.8450000111.1E387 E388 T393 T394 S395E387-T391 WeakPolarHBondContact O-CB 3.12Å; E387-T391 WeakPolarHBondContact O-CG2 3.18Å; E387-T391 PolarHBondContact O-N 3.32Å; E387-T391 PolarHBondContact O-OG1 2.94Å; E388-T391 WeakPolarHBondContact CA-OG1 3.43Å; E388-T391 PolarHBondContact O-OG1 2.77Å; E388-T391 VanDerWaalsContact O-OG1 3.1Å; T391-T393 PolarHBondContact O-N 3.06Å; T391-T394 WeakPolarHBondContact CA-OG1 3.23Å; T391-T394 PolarHBondContact O-N 3.22Å; T391-T394 PolarHBondContact O-OG1 2.62Å; T391-S395 PolarHBondContact O-N 3.43Å; T391-S395 PolarHBondContact O-OG 2.64Å
392S55.1Low56.1Low62 Ų62101.1 Ų101.143%0.43459%0.588SS.*Hα-helixtrans-58.1-43.2175.553.60000113.1E388 E389 T394 S395 S396E388-S392 WeakPolarHBondContact O-CB 3.46Å; E388-S392 PolarHBondContact O-N 3.12Å; E388-S392 PolarHBondContact O-OG 3.4Å; E389-S392 WeakPolarHBondContact CA-OG 3.33Å; E389-S392 PolarHBondContact O-OG 2.89Å; E389-S392 VanDerWaalsContact O-OG 3.12Å; S392-T394 PolarHBondContact O-N 3.3Å; S392-S395 WeakPolarHBondContact CA-OG 3.48Å; S392-S395 PolarHBondContact O-N 2.8Å; S392-S395 PolarHBondContact O-OG 3.4Å; S392-S396 PolarHBondContact O-N 3.31Å; S392-S396 PolarHBondContact O-OG 3.42Å
393T52.9Low53.7Low90 Ų9099.1 Ų99.155%0.55260%0.597SS**Hα-helixtrans-68.6-30.6176.647.80000113.7E389 L390 T391 S396E389-T393 WeakPolarHBondContact O-CG2 3.49Å; E389-T393 PolarHBondContact O-N 3.07Å; E389-T393 PolarHBondContact O-OG1 2.87Å; L390-T393 PolarHBondContact O-OG1 3.23Å; T391-T393 PolarHBondContact O-N 3.06Å; T393-S396 PolarHBondContact O-OG 3.43Å; T393-S396 VanDerWaalsContact O-OG 3.07Å
394T47.5Very low51.4Low92 Ų9298.3 Ų98.356%0.56461%0.606SS**Hα-helixtrans-69.3-39.2168.939.60000113L390 T391 S392 S396 S397L390-T394 PolarHBondContact O-N 3.35Å; L390-T394 VanDerWaalsContact O-N 3.12Å; L390-T394 PolarHBondContact O-OG1 3.49Å; L390-T394 VanDerWaalsContact O-OG1 3.12Å; T391-T394 WeakPolarHBondContact CA-OG1 3.23Å; T391-T394 PolarHBondContact O-N 3.22Å; T391-T394 PolarHBondContact O-OG1 2.62Å; S392-T394 PolarHBondContact O-N 3.3Å; T394-S396 VanDerWaalsContact C-N 3.33Å; T394-S396 PolarHBondContact O-N 3.36Å; T394-S397 PolarHBondContact O-N 3.42Å; T394-S397 VanDerWaalsContact O-N 3.11Å; T394-S397 PolarHBondContact O-OG 2.93Å
395S44.4Very low49Very low84 Ų8499.9 Ų99.959%0.58762%0.62SS**Hα-helixtrans-67.7-27.1-179.145.50000114.4T391 S392 S397T391-S395 PolarHBondContact O-N 3.43Å; T391-S395 PolarHBondContact O-OG 2.64Å; S392-S395 WeakPolarHBondContact CA-OG 3.48Å; S392-S395 PolarHBondContact O-N 2.8Å; S392-S395 PolarHBondContact O-OG 3.4Å; S395-S397 PolarHBondContact O-N 2.82Å
396S43.7Very low46.7Very low100 Ų10099.8 Ų99.870%0.69963%0.632SS**THydrogen-bonded Turntrans-77.7-1.817351.20000114.4S392 T393 T394S392-S396 PolarHBondContact O-N 3.31Å; S392-S396 PolarHBondContact O-OG 3.42Å; T393-S396 PolarHBondContact O-OG 3.43Å; T393-S396 VanDerWaalsContact O-OG 3.07Å; T394-S396 VanDerWaalsContact C-N 3.33Å; T394-S396 PolarHBondContact O-N 3.36Å
397S37.6Very low44.4Very low78 Ų78100.7 Ų100.755%0.54565%0.646SS.*THydrogen-bonded Turntrans-1039-175.474.30000114.7T394 S395 C399T394-S397 PolarHBondContact O-N 3.42Å; T394-S397 VanDerWaalsContact O-N 3.11Å; T394-S397 PolarHBondContact O-OG 2.93Å; S395-S397 PolarHBondContact O-N 2.82Å; S397-C399 PolarHBondContact O-N 3.02Å
398S31.6Very low42.4Very low102 Ų10299.7 Ų99.771%0.71365%0.653SS**  trans-70.995.7173.457.30000111.4S400S398-S400 PolarHBondContact O-N 2.78Å
399C26.9Very low40.3Very low124 Ų12499.1 Ų99.184%0.83866%0.662SS**  trans-58123.1-177.9-57.50000113.1S397 S401S397-C399 PolarHBondContact O-N 3.02Å; C399-S401 PolarHBondContact O-N 2.8Å
400S31.7Very low38.4Very low114 Ų11499.5 Ų99.580%0.79768%0.676SS**  trans-67108.3165.952.40000110.6S398 S402S398-S400 PolarHBondContact O-N 2.78Å; S400-S402 PolarHBondContact O-N 3.25Å
401S29.8Very low36.7Very low120 Ų120101.2 Ų101.284%0.83969%0.69SS**  trans-83.6101.9176.655.70000111.7C399C399-S401 PolarHBondContact O-N 2.8Å
402S35Very low35.2Very low99 Ų99101.8 Ų101.869%0.69270%0.698SS**  trans-156110.9164.955.60000113.9S400S400-S402 PolarHBondContact O-N 3.25Å
403S32.1Very low34Very low105 Ų105103.3 Ų103.373%0.73471%0.708SS**  trans59.7124.814355.40000123
404S31.8Very low33.1Very low102 Ų102108.2 Ų108.271%0.71372%0.722SS**  trans76.6117133.4620000121.9
405S29.5Very low32.2Very low109 Ų109108.9 Ų108.976%0.76273%0.73SS**  trans50.3139.9135.457.20000120.6
406S29.3Very low31.4Very low96 Ų96110.8 Ų110.867%0.67174%0.738SS**  cis-179.6150.42.340.70000109
407S30Very low30.6Very low113 Ų113115.2 Ų115.279%0.7975%0.745SS**  trans57.2148.4161.746.30000118.1
408S31.9Very low30.3Very low107 Ų107117.4 Ų117.475%0.74876%0.76SS**  cis-161.71578.430.80000111.5
409S29.2Very low30.1Very low107 Ų107121.5 Ų121.575%0.74877%0.768SS**  trans-10.1137.8159.552.20000119.1
410S33.2Very low30.1Very low105 Ų105124.4 Ų124.473%0.73477%0.766SS**  -178.2143.379.836.80000115.2
411T27.7Very low29.8Very low130 Ų130124.7 Ų124.780%0.79876%0.759SS**  trans2.9155.3134.436.40000121.3
412S29.3Very low29.5Very low99 Ų99125.6 Ų125.669%0.69276%0.755SS**  cis-174.7150.22.544.20000115.5
413S30Very low29.1Very low94 Ų94127.5 Ų127.566%0.65776%0.756SS**  trans49.6143.9139.369.10000126.2
414K32.1Very low28.7Very low193 Ų193130 Ų13084%0.83976%0.76SS**  trans119.2125.5150.9-70173.6-179.2176.80114.1
415S28.6Very low28.4Very low105 Ų105130.2 Ų130.273%0.73476%0.762SS**  cis91.1133.341.279.70000113.5
416V29.3Very low28.3Very low125 Ų125133.1 Ų133.176%0.75876%0.763SS**  cis-168.9164.911.583.20000113.9
417K27Very low28.1Very low193 Ų193138.8 Ų138.884%0.83978%0.776SS**  trans62132.7160.3-74.3175179.9-177.90122.8
418S30.5Very low27.8Very low123 Ų123138 Ų13886%0.8677%0.77SS**  -167.4157.311849.90000111.9
419E26.9Very low27.8Very low188 Ų188138.7 Ų138.788%0.87977%0.772SS**  trans-110.6151.1-176.4-61.2165.3131.900111.2
420K27.2Very low27.6Very low185 Ų185138.6 Ų138.680%0.80477%0.769SS**  172.4136125.5-95.3-178.3179.3-175.80114.7
421D25.1Very low27.2Very low120 Ų120142.2 Ų142.264%0.64278%0.779SS**  trans37.3109.5137.7-42.7-30.5000120.4
422N25Very low27.2Very low140 Ų140142.9 Ų142.975%0.74978%0.777SS**  167.9144.599.4-90.7-58000115.9
423L26.2Very low27Very low138 Ų138144 Ų14472%0.72378%0.775SS**  trans55105.7142.5-61.7166000121.6
424L23.8Very low26.8Very low158 Ų158144.6 Ų144.683%0.82779%0.786SS**  53.9136126.7-67.1168.9000121.9
425S24.5Very low26.5Very low106 Ų106145.2 Ų145.274%0.74178%0.784SS**  trans87.3154.7165.681.90000117.7
426H26.8Very low26.5Very low171 Ų171145.2 Ų145.279%0.79278%0.776SS**  trans64.771.8-179.2-66.9-80.9000118.6S428H426-S428 PolarHBondContact O-N 2.96Å; H426-S428 VanDerWaalsContact O-N 3.16Å
427F26.1Very low26.4Very low215 Ų215149.2 Ų149.294%0.94378%0.778SS**  trans-7787153.7-90.9-78.3000111.3
428S23.7Very low26.4Very low95 Ų95147.5 Ų147.566%0.66478%0.778SS**PPolyproline II helixtrans-88.4121.8155.6-64.80000108.5H426H426-S428 PolarHBondContact O-N 2.96Å; H426-S428 VanDerWaalsContact O-N 3.16Å
429P32Very low26.3Very low122 Ų122146.6 Ų146.679%0.79276%0.76SS**PPolyproline II helixtrans-68.1135174.1-1630.3000110.2
430P25.6Very low26.1Very low106 Ų106141.3 Ų141.369%0.68875%0.748SS**PPolyproline II helixtrans-67.2151.9177.2-15.428.4000112L432P430-L432 PolarHBondContact O-N 2.83Å; P430-L432 VanDerWaalsContact O-N 3.08Å
431L24.4Very low26Very low180 Ų180137.5 Ų137.594%0.94274%0.743SS**  trans-59.1109.1165.9-67167.7000109.3
432L26.3Very low26.1Very low144 Ų144137.5 Ų137.575%0.75475%0.752SS**  trans-124.992.3176.8-102.4167.8000111.5P430P430-L432 PolarHBondContact O-N 2.83Å; P430-L432 VanDerWaalsContact O-N 3.08Å
433N25Very low26.2Very low123 Ų123135 Ų13566%0.65874%0.742SS**  trans40.8103143.6-64.6-13.3000118.7Y435N433-Y435 PolarHBondContact O-N 3.03Å
434A26.4Very low26.2Very low106 Ų106134 Ų13488%0.87674%0.737SS**  37.264.3118.100000117
435Y26.8Very low26.6Very low206 Ų206129.5 Ų129.581%0.80871%0.713SS**  trans-121.2105.8160.4-93.7-88.2000110N433N433-Y435 PolarHBondContact O-N 3.03Å
436N28.2Very low26.8Very low105 Ų105132.5 Ų132.556%0.56172%0.715SS**  trans51.677.9163.7-56.8-8.3000117.2D438 E439N436-D438 PolarHBondContact O-N 2.92Å; N436-E439 HydrophobicContact CB-CG 4.44Å
437R27.6Very low27Very low209 Ų209125.4 Ų125.479%0.78968%0.684SS**G310 helixtrans-64.8-16.7162.3-86-172.5173.6-174-1113.4E439R437-E439 VanDerWaalsContact C-N 3.32Å; R437-E439 PolarHBondContact O-N 2.99Å
438D26.9Very low27.7Very low158 Ų158116.6 Ų116.685%0.84565%0.648SS**G310 helixtrans-76.7-4.3-177.1-59.4-23.7000115.7N436N436-D438 PolarHBondContact O-N 2.92Å
439E26.8Very low28.3Very low104 Ų104117.2 Ų117.249%0.48664%0.644SS.*G310 helixtrans-103.68.4-173.8-70.7-163.9136.100115.1N436 R437 P441N436-E439 HydrophobicContact CB-CG 4.44Å; R437-E439 VanDerWaalsContact C-N 3.32Å; R437-E439 PolarHBondContact O-N 2.99Å; E439-P441 VanDerWaalsContact O-CD 3.24Å; E439-P441 WeakPolarHBondContact O-CD 3.34Å
440A24.7Very low28.8Very low76 Ų76114.2 Ų114.263%0.62862%0.621SS**  trans-94.8103.9164.700000110S442A440-S442 PolarHBondContact O-N 2.9Å
441P24.3Very low29.7Very low106 Ų106109.7 Ų109.769%0.68859%0.591SS**  trans-65.9104.9162.527.8-30.8000107.5E439 V443E439-P441 VanDerWaalsContact O-CD 3.24Å; E439-P441 WeakPolarHBondContact O-CD 3.34Å; P441-V443 HydrophobicContact CB-CB 4.44Å; P441-V443 HydrophobicContact CB-CG2 3.95Å; P441-V443 PolarHBondContact O-N 3.03Å
442S26.3Very low30.4Very low119 Ų119102.8 Ų102.883%0.83256%0.557SS**  trans-67.245.8157.742.40000110.8A440 L444A440-S442 PolarHBondContact O-N 2.9Å; S442-L444 PolarHBondContact O-N 3.09Å
443V27.5Very low30.8Very low89 Ų89100 Ų10054%0.53954%0.542SS..  trans-71.186.8158.3175.80000105.2P441 L445P441-V443 HydrophobicContact CB-CB 4.44Å; P441-V443 HydrophobicContact CB-CG2 3.95Å; P441-V443 PolarHBondContact O-N 3.03Å; V443-L445 PolarHBondContact O-N 3.2Å; V443-L445 VanDerWaalsContact O-N 3.16Å
444L27.6Very low31Very low117 Ų11798.3 Ų98.361%0.61354%0.537SS*.  trans-41.9119.5139.1-81.8163.2000105.6S442 Q446S442-L444 PolarHBondContact O-N 3.09Å; L444-Q446 PolarHBondContact O-N 2.93Å
445L31.4Very low31.1Very low62 Ų6298 Ų9833%0.32552%0.524SS..  trans-55.6109.4-176.4-85.6160000106.8V443 P447V443-L445 PolarHBondContact O-N 3.2Å; V443-L445 VanDerWaalsContact O-N 3.16Å; L445-P447 VanDerWaalsContact O-N 3.16Å
446Q27.9Very low31.1Very low169 Ų16994.5 Ų94.579%0.7952%0.519SS*.PPolyproline II helixtrans-57126.1171.7-78.1-176.5-27.600106.1L444 T448L444-Q446 PolarHBondContact O-N 2.93Å; Q446-T448 PolarHBondContact O-N 3.12Å
447P31.9Very low31Very low23 Ų2399.3 Ų99.315%0.14954%0.538CS..PPolyproline II helixtrans-57.1132.8171.925.7-30.7000106.1F357 L445 D451 V452F357-P447 HydrophobicContact CE2-CB 4.36Å; F357-P447 HydrophobicContact CE2-CG 3.62Å; F357-P447 HydrophobicContact CZ-CB 3.86Å; F357-P447 VanDerWaalsContact CZ-CD 3.45Å; F357-P447 HydrophobicContact CZ-CG 3.61Å; L445-P447 VanDerWaalsContact O-N 3.16Å; P447-D451 HydrophobicContact CB-CB 3.43Å; P447-D451 VanDerWaalsContact CB-CB 3.43Å; P447-V452 HydrophobicContact CB-CG2 3.76Å; P447-V452 HydrophobicContact CG-CG2 3.56Å
448T40.9Very low31Very low30 Ų3093.5 Ų93.518%0.18453%0.53CS..PPolyproline II helixtrans-59.6161168.2550000108.6N240 Q446 D450 D451N240-T448 HydrophobicContact CB-CG2 3.94Å; Q446-T448 PolarHBondContact O-N 3.12Å; T448-D450 PolarHBondContact O-N 3.36Å; T448-D451 PolarHBondContact N-OD2 3.02Å; T448-D451 WeakPolarHBondContact O-CB 3.34Å; T448-D451 PolarHBondContact O-N 3.43Å; T448-D451 PolarHBondContact OG1-OD2 3.15Å
449D35.8Very low30.9Very low108 Ų10893.7 Ų93.758%0.57853%0.526SS*.THydrogen-bonded Turntrans-63.6-4.7176.6-56.9-50.6000112.4R353R353-D449 IonicContact CZ-OD1 2.84Å; R353-D449 IonicContact NH1-OD1 2.76Å; R353-D449 PolarHBondContact NH1-OD1 3.01Å; R353-D449 IonicContact NH2-OD1 3.99Å; R353-D449 PolarHBondContact NH2-OD1 3.37Å
450D42.7Very low30.9Very low58 Ų5897.1 Ų97.131%0.3154%0.541SS..THydrogen-bonded Turntrans-85.6-24.3168.5-57.6-63.2000114S241 R272 T448S241-D450 WeakPolarHBondContact CB-OD2 3.32Å; R272-D450 IonicContact CZ-OD1 2.97Å; R272-D450 IonicContact NH1-OD1 3.71Å; R272-D450 PolarHBondContact NH1-OD1 2.92Å; T448-D450 PolarHBondContact O-N 3.36Å
451D45Very low31Very low12 Ų1298.1 Ų98.16%0.06455%0.55CS..THydrogen-bonded Turntrans-84.1-19.8179.7-69.9-64.3000112.6P447 T448 R651 K655P447-D451 HydrophobicContact CB-CB 3.43Å; P447-D451 VanDerWaalsContact CB-CB 3.43Å; T448-D451 PolarHBondContact N-OD2 3.02Å; T448-D451 WeakPolarHBondContact O-CB 3.34Å; T448-D451 PolarHBondContact O-N 3.43Å; T448-D451 PolarHBondContact OG1-OD2 3.15Å; D451-R651 PolarHBondContact O-NH1 3.28Å; D451-K655 WeakPolarHBondContact OD1-CE 3.5Å; D451-K655 IonicContact OD1-NZ 2.86Å; D451-K655 PolarHBondContact OD1-NZ 2.91Å; D451-K655 IonicContact OD2-NZ 3.32Å
452V37.9Very low31.1Very low35 Ų35102.3 Ų102.321%0.21256%0.56CS.*SBendtrans-104.1132.7172.6-176.90000109.2R353 P447 P454R353-V452 HydrophobicContact CG-CG1 4.03Å; R353-V452 HydrophobicContact CG-CG2 4.22Å; P447-V452 HydrophobicContact CB-CG2 3.76Å; P447-V452 HydrophobicContact CG-CG2 3.56Å; V452-P454 VanDerWaalsContact O-CD 3.3Å; V452-P454 WeakPolarHBondContact O-CD 3.28Å
453L35.4Very low31.3Very low85 Ų85104.4 Ų104.445%0.44556%0.562SS.*  trans-39.1116.9170.5-82.8146.7000114V455 L678L453-V455 HydrophobicContact CB-CG2 4.26Å; L453-V455 HydrophobicContact CD2-CG2 3.72Å; L453-V455 PolarHBondContact O-N 2.7Å; L453-L678 HydrophobicContact CD2-CB 4.05Å; L453-L678 HydrophobicContact CD2-CD1 3.65Å; L453-L678 HydrophobicContact CD2-CD2 3.43Å; L453-L678 VanDerWaalsContact CD2-CD2 3.43Å; L453-L678 HydrophobicContact CD2-CG 3.86Å; L453-L678 HydrophobicContact CG-CD2 3.89Å
454P28.4Very low31.2Very low87 Ų87103.9 Ų103.957%0.56558%0.575SS**  trans-87.781.1154.633.9-26.9000108.5V452 L456V452-P454 VanDerWaalsContact O-CD 3.3Å; V452-P454 WeakPolarHBondContact O-CD 3.28Å; P454-L456 PolarHBondContact O-N 3.04Å; P454-L456 VanDerWaalsContact O-N 3.16Å
455V28.3Very low31.4Very low99 Ų99106.3 Ų106.360%0.659%0.586SS**  trans-78.498.1164.4178.20000107.6L453L453-V455 HydrophobicContact CB-CG2 4.26Å; L453-V455 HydrophobicContact CD2-CG2 3.72Å; L453-V455 PolarHBondContact O-N 2.7Å
456L28.7Very low31.4Very low133 Ų133109.4 Ų109.470%0.69661%0.608SS**  trans58.186.7155.6-54.9173000116.1P454 S458P454-L456 PolarHBondContact O-N 3.04Å; P454-L456 VanDerWaalsContact O-N 3.16Å; L456-S458 PolarHBondContact O-N 3.06Å
457E25.8Very low31.3Very low206 Ų206106.1 Ų106.196%0.96361%0.61SS**  trans-71.470.7137.5-73.2-179.7163.400108.1
458S26.9Very low31.2Very low87 Ų87111.5 Ų111.561%0.60864%0.637SS**  trans-96.588.216458.70000108L456L456-S458 PolarHBondContact O-N 3.06Å
459E26Very low30.6Very low163 Ų163119 Ų11976%0.76267%0.67SS**  trans-63.5147.2165.8-61.5-177.4136.600109.3
460H25.6Very low30.4Very low176 Ų176121.5 Ų121.582%0.81568%0.682SS**  trans77.486.7171.4-42.7-62000118.6
461A27.4Very low29.8Very low97 Ų97127.4 Ų127.480%0.80271%0.708SS**  -155.4103.4126.300000108.7
462E25.6Very low29Very low194 Ų194135.4 Ų135.491%0.90775%0.745SS**  trans-78.7112.9163.8-67.2-178.6155.300107.6
463D30.4Very low28.8Very low162 Ų162139.7 Ų139.787%0.86677%0.771SS**  trans-147.1124.1160.4-98.9-42.2000108.9
464G26.6Very low28.7Very low79 Ų79144.6 Ų144.681%0.81479%0.791SS**  trans-84.7129.6-167.500000113.2
465I30.8Very low29.1Very low168 Ų168147.6 Ų147.686%0.86280%0.796SS**  trans-124.6122.1158.8-59-179000107.7
466T31.6Very low29.7Very low127 Ų127148.5 Ų148.578%0.77980%0.803SS**  trans-67.1128.9-177.144.60000111.6N468T466-N468 PolarHBondContact O-N 3.26Å
467A26.4Very low30.7Very low100 Ų100147.1 Ų147.183%0.82681%0.811SS**  trans-76114.6173.800000110.9
468N30Very low32Very low136 Ų136140.3 Ų140.373%0.72778%0.783SS**  trans-128.1129.9161.2-83-9.8000108.8T466T466-N468 PolarHBondContact O-N 3.26Å
469E27.8Very low33.7Very low187 Ų187139.8 Ų139.887%0.87477%0.774SS**  trans56.984.3151.1-62171.8-17200118
470I31.7Very low35.7Very low161 Ų161135.9 Ų135.983%0.82675%0.752SS**  trans-126.7118.8147.2-58.7178.5000106.8E472I470-E472 PolarHBondContact O-N 3.32Å
471E29Very low37.7Very low182 Ų182130.5 Ų130.585%0.8573%0.734SS**  trans-69119.1174.5-66.7-178.6133.300110.1V473E471-V473 PolarHBondContact O-N 2.96Å; E471-V473 VanDerWaalsContact O-N 3.17Å
472E29.6Very low40.1Very low179 Ų179130.6 Ų130.684%0.83672%0.718SS**  trans-74.7102172.5-73.9-173.5156.600109.8I470 E474I470-E472 PolarHBondContact O-N 3.32Å; E472-E474 PolarHBondContact O-N 3.46Å
473V34.1Very low42.9Very low126 Ų126122.1 Ų122.176%0.76468%0.678SS**  trans-73.4104.9168.6179.30000108.8E471 K475E471-V473 PolarHBondContact O-N 2.96Å; E471-V473 VanDerWaalsContact O-N 3.17Å; V473-K475 PolarHBondContact O-N 3.11Å
474E31.4Very low45.5Very low188 Ų188115 Ų11588%0.87964%0.639SS**  trans-58.3106.6174.3-70.7-169148.900111E472E472-E474 PolarHBondContact O-N 3.46Å
475K38.6Very low48.3Very low150 Ų150114.5 Ų114.565%0.65262%0.615SS**PPolyproline II helixtrans-78.6138.3169.9-71.4-177.1177.1-177.60110.1V473 A477V473-K475 PolarHBondContact O-N 3.11Å; K475-A477 PolarHBondContact O-N 3.16Å
476P40.4Very low50.7Low117 Ų117109.9 Ų109.976%0.7660%0.602SS**PPolyproline II helixtrans-64.1134.4179.726.3-34.3000111.6V478P476-V478 PolarHBondContact O-N 2.9Å
477A48.3Very low53.2Low105 Ų105105 Ų10587%0.86857%0.57SS**PPolyproline II helixtrans-64.6116.5179.400000111.3K475K475-A477 PolarHBondContact O-N 3.16Å
478V54.9Low55.9Low62 Ų62100.6 Ų100.638%0.37653%0.534SS..PPolyproline II helixtrans-72.8127.9-180-179.50000110.9V340 P476 R480V340-V478 HydrophobicContact CG1-CG1 3.88Å; P476-V478 PolarHBondContact O-N 2.9Å; V478-R480 PolarHBondContact O-N 3.37Å
479D62Low58.5Low76 Ų7698.3 Ų98.341%0.40653%0.534SS..  trans-68.4102.7172.4-176.5-7.5000111S481 Q482D479-S481 VanDerWaalsContact CG-OG 3.23Å; D479-S481 PolarHBondContact O-N 3.42Å; D479-S481 VanDerWaalsContact OD1-CB 3.3Å; D479-S481 WeakPolarHBondContact OD1-CB 3.3Å; D479-S481 PolarHBondContact OD1-N 3.16Å; D479-S481 PolarHBondContact OD1-OG 3.37Å; D479-S481 PolarHBondContact OD2-OG 3.4Å; D479-Q482 PolarHBondContact O-N 3.12Å; D479-Q482 VanDerWaalsContact O-N 3.11Å; D479-Q482 WeakPolarHBondContact OD2-CG 3.49Å; D479-Q482 PolarHBondContact OD2-NE2 2.94Å
480R66.8Low60.9Low81 Ų8197.9 Ų97.931%0.30653%0.532SS..THydrogen-bonded Turntrans-56.3-12.3176.9-69.7-176.3170.8-122.4-17.6114.2V341 D359 V478 W483V341-R480 HydrophobicContact CG1-CG 4.46Å; D359-R480 IonicContact OD1-CZ 2.68Å; D359-R480 IonicContact OD1-NH1 3.93Å; D359-R480 PolarHBondContact OD1-NH1 2.91Å; D359-R480 IonicContact OD1-NH2 3.26Å; V478-R480 PolarHBondContact O-N 3.37Å; R480-W483 VanDerWaalsContact O-CD1 3.28Å
481S68.8Low63.3Low63 Ų6392 Ų9244%0.44150%0.502SS..THydrogen-bonded Turntrans-91-14.4178.6750000114.7D479 F484D479-S481 VanDerWaalsContact CG-OG 3.23Å; D479-S481 PolarHBondContact O-N 3.42Å; D479-S481 VanDerWaalsContact OD1-CB 3.3Å; D479-S481 WeakPolarHBondContact OD1-CB 3.3Å; D479-S481 PolarHBondContact OD1-N 3.16Å; D479-S481 PolarHBondContact OD1-OG 3.37Å; D479-S481 PolarHBondContact OD2-OG 3.4Å; S481-F484 VanDerWaalsContact O-CE1 3.28Å; S481-F484 WeakPolarHBondContact O-CE1 3.47Å
482Q76.6Confident65.9Low99 Ų9988.2 Ų88.246%0.46349%0.487SS..THydrogen-bonded Turntrans-117.8-10-168.4-58.5-16357.400115.8D479 F484 K485D479-Q482 PolarHBondContact O-N 3.12Å; D479-Q482 VanDerWaalsContact O-N 3.11Å; D479-Q482 WeakPolarHBondContact OD2-CG 3.49Å; D479-Q482 PolarHBondContact OD2-NE2 2.94Å; Q482-F484 PolarHBondContact O-N 2.85Å; Q482-K485 HydrophobicContact CB-CD 4Å; Q482-K485 HydrophobicContact CG-CD 4.05Å; Q482-K485 WeakPolarHBondContact O-CB 3.49Å; Q482-K485 WeakPolarHBondContact O-CG 3.35Å; Q482-K485 PolarHBondContact O-N 3.09Å
483W84.1Confident68.3Low17 Ų1780 Ų806%0.06445%0.449CS..THydrogen-bonded Turntrans-50.4-32-174.770.5-90.4000115L333 H336 Y337 V341 V366 L373 R480L333-W483 HydrophobicContact CD2-CZ3 4.26Å; L333-W483 VanDerWaalsContact O-CZ3 3.31Å; L333-W483 WeakPolarHBondContact O-CZ3 3.47Å; H336-W483 AromaticContact CD2-CE3 3.98Å; H336-W483 PolarHBondContact CD2-O 2.76Å; H336-W483 PolarHBondContact NE2-O 3.07Å; Y337-W483 AromaticContact CD2-CD2 3.68Å; Y337-W483 HydrophobicContact CD2-CD2 3.68Å; Y337-W483 AromaticContact CD2-CE2 3.37Å; Y337-W483 AromaticContact CD2-CE3 3.97Å; Y337-W483 HydrophobicContact CD2-CE3 3.97Å; Y337-W483 HydrophobicContact CD2-CG 4.34Å; Y337-W483 AromaticContact CD2-CH2 3.78Å; Y337-W483 HydrophobicContact CD2-CH2 3.78Å; Y337-W483 AromaticContact CD2-CZ2 3.45Å; Y337-W483 HydrophobicContact CD2-CZ2 3.45Å; Y337-W483 VanDerWaalsContact CD2-CZ2 3.45Å; Y337-W483 HydrophobicContact CD2-CZ3 4.03Å; Y337-W483 AromaticContact CD2-NE1 3.81Å; Y337-W483 HydrophobicContact CE2-CD2 4.28Å; Y337-W483 AromaticContact CE2-CE2 3.76Å; Y337-W483 HydrophobicContact CE2-CZ2 4.04Å; Y337-W483 AromaticContact CE2-NE1 3.69Å; Y337-W483 HydrophobicContact CG-CH2 4.36Å; Y337-W483 HydrophobicContact CG-CZ2 4.4Å; Y337-W483 HydrophobicContact CG-CZ3 4.49Å; V341-W483 HydrophobicContact CG2-CB 4.2Å; V341-W483 HydrophobicContact CG2-CG 4.14Å; V366-W483 HydrophobicContact CG2-CH2 3.66Å; V366-W483 HydrophobicContact CG2-CZ2 4.16Å; L373-W483 HydrophobicContact CD1-CH2 4.2Å; L373-W483 HydrophobicContact CD1-CZ2 4.23Å; L373-W483 HydrophobicContact CD2-CZ2 4.01Å; R480-W483 VanDerWaalsContact O-CD1 3.28Å
484F86.3Confident70.6Confident12 Ų1277.6 Ų77.65%0.05343%0.432CS..THydrogen-bonded Turntrans-89.1-8.3-17864.1-92.5000114.4L333 L373 L374 E377 S481 Q482 A486 I487 T488L333-F484 HydrophobicContact CD2-CB 4.29Å; L373-F484 HydrophobicContact CB-CD1 4.47Å; L373-F484 HydrophobicContact CB-CD2 4.06Å; L373-F484 HydrophobicContact CB-CE2 4.18Å; L373-F484 HydrophobicContact CB-CG 4.24Å; L373-F484 HydrophobicContact CB-CZ 4.42Å; L373-F484 HydrophobicContact CD1-CB 3.87Å; L373-F484 HydrophobicContact CD1-CD2 4.35Å; L373-F484 HydrophobicContact CD1-CG 3.99Å; L373-F484 HydrophobicContact CD2-CD1 4.41Å; L374-F484 HydrophobicContact CD2-CE2 4.05Å; E377-F484 HydrophobicContact CB-CZ 4.33Å; S481-F484 VanDerWaalsContact O-CE1 3.28Å; S481-F484 WeakPolarHBondContact O-CE1 3.47Å; Q482-F484 PolarHBondContact O-N 2.85Å; F484-A486 PolarHBondContact O-N 2.9Å; F484-I487 PolarHBondContact O-N 2.73Å; F484-T488 HydrophobicContact CB-CG2 4.28Å; F484-T488 HydrophobicContact CD2-CG2 3.84Å; F484-T488 WeakPolarHBondContact CD2-OG1 3.37Å; F484-T488 WeakPolarHBondContact O-CB 3.17Å; F484-T488 WeakPolarHBondContact O-CG2 3.45Å; F484-T488 PolarHBondContact O-N 3.17Å; F484-T488 PolarHBondContact O-OG1 2.82Å
485K84.6Confident73.2Confident68 Ų6873.5 Ų73.530%0.29641%0.409SS..Hα-helixtrans-65.4-44.5-166-72.4-175.1177.2-172.90113.2E377 Q482 I487 T488 A489E377-K485 WeakPolarHBondContact OE1-CE 3.3Å; E377-K485 IonicContact OE1-NZ 3.66Å; E377-K485 PolarHBondContact OE1-NZ 2.68Å; Q482-K485 HydrophobicContact CB-CD 4Å; Q482-K485 HydrophobicContact CG-CD 4.05Å; Q482-K485 WeakPolarHBondContact O-CB 3.49Å; Q482-K485 WeakPolarHBondContact O-CG 3.35Å; Q482-K485 PolarHBondContact O-N 3.09Å; K485-I487 PolarHBondContact O-N 3.27Å; K485-T488 PolarHBondContact O-N 2.99Å; K485-T488 PolarHBondContact O-OG1 2.72Å; K485-A489 VanDerWaalsContact O-CB 3.32Å; K485-A489 WeakPolarHBondContact O-CB 3.45Å; K485-A489 PolarHBondContact O-N 2.96Å
486A82.6Confident75.4Confident72 Ų7267.5 Ų67.560%0.59538%0.384SS*.Hα-helixtrans-57.2-51.9177.200000111.6F484 A489F484-A486 PolarHBondContact O-N 2.9Å; A486-A489 PolarHBondContact O-N 2.86Å
487I84.1Confident77.5Confident23 Ų2367.7 Ų67.712%0.11838%0.375CS..Hα-helixtrans-67.1-41.1-177.8-56.3176000111.4L333 H336 F484 K485 A489 E490 L491L333-I487 HydrophobicContact CD2-CB 3.79Å; L333-I487 HydrophobicContact CD2-CD1 4.13Å; L333-I487 HydrophobicContact CD2-CG2 3.62Å; L333-I487 HydrophobicContact CG-CG2 3.89Å; H336-I487 HydrophobicContact CB-CD1 3.79Å; H336-I487 VanDerWaalsContact CD2-CD1 3.42Å; H336-I487 WeakPolarHBondContact CD2-CD1 3.34Å; F484-I487 PolarHBondContact O-N 2.73Å; K485-I487 PolarHBondContact O-N 3.27Å; I487-A489 PolarHBondContact O-N 3.19Å; I487-E490 PolarHBondContact O-N 3.19Å; I487-L491 HydrophobicContact CG2-CD1 3.91Å; I487-L491 WeakPolarHBondContact O-CD1 3.11Å; I487-L491 VanDerWaalsContact O-CG 3.29Å; I487-L491 WeakPolarHBondContact O-CG 3.46Å
488T82.8Confident79.4Confident9 Ų962.8 Ų62.86%0.05533%0.334CS..Hα-helixtrans-75-21-179.255.40000114.5L333 L373 F484 K485 E490 L491L333-T488 HydrophobicContact CD2-CG2 4.32Å; L373-T488 HydrophobicContact CD1-CG2 4.49Å; F484-T488 HydrophobicContact CB-CG2 4.28Å; F484-T488 HydrophobicContact CD2-CG2 3.84Å; F484-T488 WeakPolarHBondContact CD2-OG1 3.37Å; F484-T488 WeakPolarHBondContact O-CB 3.17Å; F484-T488 WeakPolarHBondContact O-CG2 3.45Å; F484-T488 PolarHBondContact O-N 3.17Å; F484-T488 PolarHBondContact O-OG1 2.82Å; K485-T488 PolarHBondContact O-N 2.99Å; K485-T488 PolarHBondContact O-OG1 2.72Å; T488-E490 VanDerWaalsContact C-N 3.32Å; T488-L491 PolarHBondContact O-N 3.27Å
489A83.1Confident81.1Confident88 Ų8859.8 Ų59.873%0.72732%0.316SS*.Hα-helixtrans-68.5-30.8174.300000112.7K485 A486 I487K485-A489 VanDerWaalsContact O-CB 3.32Å; K485-A489 WeakPolarHBondContact O-CB 3.45Å; K485-A489 PolarHBondContact O-N 2.96Å; A486-A489 PolarHBondContact O-N 2.86Å; I487-A489 PolarHBondContact O-N 3.19Å
490E79.4Confident82.3Confident178 Ų17856.3 Ų56.383%0.83230%0.298SS*.Hα-helixtrans-85-15.9178-61.8-179.5173.700113I487 T488I487-E490 PolarHBondContact O-N 3.19Å; T488-E490 VanDerWaalsContact C-N 3.32Å
491L80.9Confident83.5Confident38 Ų3852.6 Ų52.620%0.19928%0.284CS..SBendtrans-94.3126.1-175.1-72.9170.6000112.8E329 L333 I487 T488 C493E329-L491 HydrophobicContact CB-CD1 4.31Å; E329-L491 HydrophobicContact CB-CD2 3.89Å; E329-L491 HydrophobicContact CG-CD2 3.64Å; L333-L491 HydrophobicContact CD1-CD1 4.17Å; I487-L491 HydrophobicContact CG2-CD1 3.91Å; I487-L491 WeakPolarHBondContact O-CD1 3.11Å; I487-L491 VanDerWaalsContact O-CG 3.29Å; I487-L491 WeakPolarHBondContact O-CG 3.46Å; T488-L491 PolarHBondContact O-N 3.27Å; L491-C493 PolarHBondContact O-N 2.77Å; L491-C493 PolarHBondContact O-SG 2.99Å; L491-C493 VanDerWaalsContact O-SG 3.35Å
492D84Confident84.6Confident102 Ų10249.6 Ų49.655%0.54526%0.263SS..  trans-68.180.8163.2-179.78.7000110.7D494 R495 L498D492-D494 PolarHBondContact O-N 3.41Å; D492-D494 PolarHBondContact OD1-N 3.03Å; D492-R495 HydrophobicContact CB-CG 4.23Å; D492-R495 WeakPolarHBondContact O-CB 3.45Å; D492-R495 PolarHBondContact O-N 2.92Å; D492-R495 VanDerWaalsContact O-N 3.12Å; D492-R495 WeakPolarHBondContact OD2-CG 3.45Å; D492-L498 WeakPolarHBondContact O-CD1 3.18Å
493C80.4Confident85.2Confident5 Ų545.7 Ų45.73%0.03425%0.245CC..THydrogen-bonded Turntrans-66.90.9-177.7-68.70000114.1H369 R371 L374 L491H369-C493 PolarHBondContact CE1-O 3.12Å; R371-C493 HydrophobicContact CB-CB 4.17Å; R371-C493 WeakPolarHBondContact CB-O 3.1Å; R371-C493 WeakPolarHBondContact CD-O 3.45Å; L374-C493 HydrophobicContact CD1-CB 3.95Å; L491-C493 PolarHBondContact O-N 2.77Å; L491-C493 PolarHBondContact O-SG 2.99Å; L491-C493 VanDerWaalsContact O-SG 3.35Å
494D82.7Confident85.5Confident77 Ų7745.8 Ų45.841%0.41225%0.247SC..THydrogen-bonded Turntrans-96.55.5172.9-73.9-1.4000112.5R371 D492 K534 F535R371-D494 WeakPolarHBondContact CD-OD1 3.4Å; R371-D494 IonicContact CZ-OD1 3.78Å; R371-D494 IonicContact NE-OD1 3.42Å; R371-D494 IonicContact NH1-OD1 2.75Å; R371-D494 PolarHBondContact NH1-OD1 2.99Å; R371-D494 IonicContact NH1-OD2 3.68Å; D492-D494 PolarHBondContact O-N 3.41Å; D492-D494 PolarHBondContact OD1-N 3.03Å; D494-K534 IonicContact OD1-NZ 2.78Å; D494-K534 PolarHBondContact OD1-NZ 2.89Å; D494-K534 IonicContact OD2-NZ 3.2Å; D494-K534 PolarHBondContact OD2-NZ 3.05Å; D494-F535 WeakPolarHBondContact O-CE1 3.35Å
495R85Confident85.8Confident101 Ų10145.4 Ų45.438%0.38125%0.246SC..  trans-80.1118168.7-70.1177.363.6-148.2-3.5112.6H369 D492 E497 L498H369-R495 PolarHBondContact NE2-O 2.91Å; H369-R495 VanDerWaalsContact NE2-O 3.15Å; D492-R495 HydrophobicContact CB-CG 4.23Å; D492-R495 WeakPolarHBondContact O-CB 3.45Å; D492-R495 PolarHBondContact O-N 2.92Å; D492-R495 VanDerWaalsContact O-N 3.12Å; D492-R495 WeakPolarHBondContact OD2-CG 3.45Å; R495-E497 IonicContact CZ-OE2 2.72Å; R495-E497 IonicContact NE-OE2 2.67Å; R495-E497 PolarHBondContact NE-OE2 3.24Å; R495-E497 IonicContact NH2-OE2 3.57Å; R495-E497 PolarHBondContact NH2-OE2 2.96Å; R495-E497 PolarHBondContact O-N 3.37Å; R495-E497 VanDerWaalsContact O-N 3.17Å; R495-L498 HydrophobicContact CB-CD1 4.13Å; R495-L498 HydrophobicContact CB-CG 4.03Å; R495-L498 WeakPolarHBondContact O-CB 3.49Å; R495-L498 PolarHBondContact O-N 3.45Å
496L85Confident86.1Confident25 Ų2543 Ų4313%0.13124%0.235CC..G310 helixtrans-62.4-22.1176.7-175.4140.8000114.1L498 L502 V503 F506 F535L496-L498 PolarHBondContact O-N 2.91Å; L496-L502 HydrophobicContact CG-CB 4.17Å; L496-V503 HydrophobicContact CD2-CB 4.42Å; L496-V503 HydrophobicContact CD2-CG2 3.84Å; L496-F506 HydrophobicContact CD1-CD1 4.18Å; L496-F506 HydrophobicContact CD1-CD2 3.63Å; L496-F506 HydrophobicContact CD1-CE1 4.24Å; L496-F506 HydrophobicContact CD1-CE2 3.7Å; L496-F506 HydrophobicContact CD1-CG 3.86Å; L496-F506 HydrophobicContact CD1-CZ 4.01Å; L496-F535 HydrophobicContact CB-CD1 4.02Å; L496-F535 HydrophobicContact CB-CE1 3.76Å; L496-F535 HydrophobicContact CB-CZ 4.33Å; L496-F535 HydrophobicContact CD1-CB 4.22Å; L496-F535 HydrophobicContact CD1-CD1 3.94Å; L496-F535 HydrophobicContact CD1-CE1 4.47Å; L496-F535 HydrophobicContact CD1-CG 4.08Å; L496-F535 HydrophobicContact CG-CD1 4.43Å; L496-F535 HydrophobicContact CG-CE1 4.49Å
497E85.8Confident86.4Confident121 Ų12143 Ų4357%0.56522%0.222SC*.G310 helixtrans-68.4-20-179.8-68161.4176.600113.5R495 S499R495-E497 IonicContact CZ-OE2 2.72Å; R495-E497 IonicContact NE-OE2 2.67Å; R495-E497 PolarHBondContact NE-OE2 3.24Å; R495-E497 IonicContact NH2-OE2 3.57Å; R495-E497 PolarHBondContact NH2-OE2 2.96Å; R495-E497 PolarHBondContact O-N 3.37Å; R495-E497 VanDerWaalsContact O-N 3.17Å; E497-S499 PolarHBondContact O-N 3.2Å
498L87.7Confident86.8Confident1 Ų142.9 Ų42.91%0.00522%0.221CC..G310 helixtrans-70.47.5177.6-61.9175.3000113.9E329 Q330 P370 D492 R495 L496E329-L498 HydrophobicContact CB-CD2 4.03Å; E329-L498 VanDerWaalsContact CD-CD2 3.41Å; E329-L498 HydrophobicContact CG-CD2 3.72Å; Q330-L498 WeakPolarHBondContact CG-O 3.5Å; Q330-L498 PolarHBondContact OE1-O 3.38Å; P370-L498 VanDerWaalsContact CD-O 3.26Å; P370-L498 WeakPolarHBondContact CD-O 3.37Å; P370-L498 HydrophobicContact CG-CB 4.26Å; D492-L498 WeakPolarHBondContact O-CD1 3.18Å; R495-L498 HydrophobicContact CB-CD1 4.13Å; R495-L498 HydrophobicContact CB-CG 4.03Å; R495-L498 WeakPolarHBondContact O-CB 3.49Å; R495-L498 PolarHBondContact O-N 3.45Å; L496-L498 PolarHBondContact O-N 2.91Å
499S89.6Confident87.1Confident0 Ų042.9 Ų42.90%022%0.221CC..  trans-143.8120.3167.9172.60000110.9N368 H369 E497 K501 L502 V503N368-S499 WeakPolarHBondContact O-CB 3.09Å; N368-S499 PolarHBondContact O-OG 3.34Å; H369-S499 VanDerWaalsContact CD2-CB 3.5Å; H369-S499 WeakPolarHBondContact CD2-CB 3.49Å; E497-S499 PolarHBondContact O-N 3.2Å; S499-K501 PolarHBondContact O-N 3.35Å; S499-K501 PolarHBondContact OG-N 3.09Å; S499-K501 VanDerWaalsContact OG-N 3.16Å; S499-L502 PolarHBondContact O-N 2.96Å; S499-L502 PolarHBondContact OG-N 3Å; S499-V503 WeakPolarHBondContact O-CG2 3.29Å; S499-V503 PolarHBondContact O-N 3.21Å
500G87.9Confident87.3Confident3 Ų341.6 Ų41.63%0.03120%0.2CC..Hα-helixtrans-54.1-36169.100000112.2L504G500-L504 WeakPolarHBondContact O-CB 3.18Å; G500-L504 PolarHBondContact O-N 2.96Å
501K92.4Very high87.8Confident2 Ų238.4 Ų38.41%0.00918%0.183CC..Hα-helixtrans-69.5-42.6-178.6-70.9-169.3175.4-169.80111.8V324 N368 S499 L504 L505 F608 F638 E645V324-K501 HydrophobicContact CB-CG 4.22Å; V324-K501 HydrophobicContact CG1-CG 3.98Å; V324-K501 HydrophobicContact CG2-CG 4.35Å; N368-K501 PolarHBondContact OD1-NZ 3.06Å; N368-K501 VanDerWaalsContact OD1-NZ 3.12Å; S499-K501 PolarHBondContact O-N 3.35Å; S499-K501 PolarHBondContact OG-N 3.09Å; S499-K501 VanDerWaalsContact OG-N 3.16Å; K501-L504 PolarHBondContact O-N 2.94Å; K501-L505 WeakPolarHBondContact O-CB 3.48Å; K501-L505 PolarHBondContact O-N 2.96Å; K501-F608 HydrophobicContact CB-CE1 4.29Å; K501-F608 HydrophobicContact CB-CE2 3.77Å; K501-F608 HydrophobicContact CB-CZ 3.55Å; K501-F608 HydrophobicContact CD-CD1 4.43Å; K501-F608 HydrophobicContact CD-CE1 3.96Å; K501-F608 HydrophobicContact CD-CZ 4.06Å; K501-F608 HydrophobicContact CG-CZ 4.5Å; K501-F608 PolarHBondContact NZ-O 3.47Å; K501-F638 HydrophobicContact CB-CD2 4.06Å; K501-F638 HydrophobicContact CD-CB 4.22Å; K501-F638 HydrophobicContact CG-CB 4.3Å; K501-F638 HydrophobicContact CG-CD2 4.25Å; K501-F638 WeakPolarHBondContact O-CE2 3.49Å; K501-E645 WeakPolarHBondContact CE-OE2 3.34Å; K501-E645 IonicContact NZ-OE1 3.83Å; K501-E645 PolarHBondContact NZ-OE1 3.3Å; K501-E645 IonicContact NZ-OE2 3.09Å; K501-E645 PolarHBondContact NZ-OE2 3.41Å
502L91.6Very high88.2Confident0 Ų036.8 Ų36.80%018%0.175CC..Hα-helixtrans-70.1-39.5176.4-78.2-174.3000112.3H369 L496 S499 L504 L505 F506 M528 L531 I532 F535 F608H369-L502 HydrophobicContact CB-CD1 4.24Å; L496-L502 HydrophobicContact CG-CB 4.17Å; S499-L502 PolarHBondContact O-N 2.96Å; S499-L502 PolarHBondContact OG-N 3Å; L502-L504 VanDerWaalsContact C-N 3.29Å; L502-L504 PolarHBondContact O-N 3.02Å; L502-L505 HydrophobicContact CD2-CD2 4.1Å; L502-L505 PolarHBondContact O-N 3.45Å; L502-F506 HydrophobicContact CD2-CE2 4.39Å; L502-F506 WeakPolarHBondContact O-CD2 3.35Å; L502-F506 PolarHBondContact O-N 2.7Å; L502-M528 HydrophobicContact CD1-CE 4.06Å; L502-M528 HydrophobicContact CD2-CE 3.49Å; L502-M528 VanDerWaalsContact CD2-CE 3.49Å; L502-M528 HydrophobicContact CG-CE 3.92Å; L502-L531 HydrophobicContact CD1-CD2 4.48Å; L502-I532 HydrophobicContact CD2-CG1 3.96Å; L502-F535 HydrophobicContact CD1-CD2 3.52Å; L502-F535 HydrophobicContact CD1-CE2 3.31Å; L502-F535 HydrophobicContact CD1-CZ 4.22Å; L502-F608 HydrophobicContact CD2-CE2 3.94Å; L502-F608 HydrophobicContact CD2-CZ 3.99Å; L502-F608 HydrophobicContact CG-CZ 4.24Å
503V89.5Confident88.3Confident17 Ų1733.3 Ų33.310%0.10316%0.161CC..Hα-helixtrans-56.6-46.5172.3174.10000110.5L496 S499 K507 N701L496-V503 HydrophobicContact CD2-CB 4.42Å; L496-V503 HydrophobicContact CD2-CG2 3.84Å; S499-V503 WeakPolarHBondContact O-CG2 3.29Å; S499-V503 PolarHBondContact O-N 3.21Å; V503-K507 HydrophobicContact CG1-CD 4.22Å; V503-K507 WeakPolarHBondContact O-CG 3.24Å; V503-K507 PolarHBondContact O-N 3.02Å; V503-K507 VanDerWaalsContact O-N 3.13Å; V503-N701 WeakPolarHBondContact CB-ND2 3.16Å; V503-N701 WeakPolarHBondContact CG1-ND2 3.21Å
504L90.7Very high88.6Confident19 Ų1938.5 Ų38.510%0.09918%0.184CC..Hα-helixtrans-65.9-43.6178.6-172.858.2000112.3L322 V324 G500 K501 L502 F506 K507 I508 F638L322-L504 HydrophobicContact CB-CD2 4.15Å; L322-L504 HydrophobicContact CD1-CD2 3.86Å; V324-L504 HydrophobicContact CG2-CD2 3.69Å; G500-L504 WeakPolarHBondContact O-CB 3.18Å; G500-L504 PolarHBondContact O-N 2.96Å; K501-L504 PolarHBondContact O-N 2.94Å; L502-L504 VanDerWaalsContact C-N 3.29Å; L502-L504 PolarHBondContact O-N 3.02Å; L504-F506 PolarHBondContact O-N 3.13Å; L504-K507 PolarHBondContact O-N 3.49Å; L504-I508 HydrophobicContact CG-CD1 4.38Å; L504-I508 WeakPolarHBondContact O-CG1 3.31Å; L504-I508 PolarHBondContact O-N 3.42Å; L504-F638 HydrophobicContact CB-CE2 4.26Å; L504-F638 HydrophobicContact CB-CZ 4.1Å; L504-F638 HydrophobicContact CD2-CD1 4.02Å; L504-F638 HydrophobicContact CD2-CE1 3.69Å; L504-F638 HydrophobicContact CD2-CE2 4.44Å; L504-F638 HydrophobicContact CD2-CZ 3.91Å; L504-F638 HydrophobicContact CG-CE1 3.92Å; L504-F638 HydrophobicContact CG-CE2 4.33Å; L504-F638 HydrophobicContact CG-CZ 3.7Å
505L92.7Very high88.9Confident4 Ų439.6 Ų39.62%0.02119%0.189CC..Hα-helixtrans-55.5-48.8176.2179.460.6000111.9K501 L502 I508 L509 L519 V521 I532 V606 F608 F638K501-L505 WeakPolarHBondContact O-CB 3.48Å; K501-L505 PolarHBondContact O-N 2.96Å; L502-L505 HydrophobicContact CD2-CD2 4.1Å; L502-L505 PolarHBondContact O-N 3.45Å; L505-I508 PolarHBondContact O-N 3.28Å; L505-L509 WeakPolarHBondContact O-CB 3.46Å; L505-L509 PolarHBondContact O-N 3.5Å; L505-L519 HydrophobicContact CD1-CD2 4.36Å; L505-V521 HydrophobicContact CD1-CG1 4.39Å; L505-V521 HydrophobicContact CD1-CG2 3.78Å; L505-I532 HydrophobicContact CD2-CD1 3.75Å; L505-I532 HydrophobicContact CD2-CG1 3.94Å; L505-I532 HydrophobicContact CD2-CG2 4.33Å; L505-V606 HydrophobicContact CD1-CB 4.36Å; L505-V606 HydrophobicContact CD1-CG1 4.13Å; L505-V606 HydrophobicContact CD1-CG2 4.26Å; L505-F608 HydrophobicContact CB-CE2 4.36Å; L505-F608 HydrophobicContact CD2-CD2 4.12Å; L505-F608 HydrophobicContact CD2-CE2 4.09Å; L505-F638 HydrophobicContact CB-CE2 3.96Å; L505-F638 HydrophobicContact CB-CZ 4.44Å
506F90.5Very high89.1Confident17 Ų1737.2 Ų37.28%0.07520%0.196CC..Hα-helixtrans-71.2-31.7-177-85.2-104.5000112.5L496 L502 L504 L509 E510 F535 L536 K539L496-F506 HydrophobicContact CD1-CD1 4.18Å; L496-F506 HydrophobicContact CD1-CD2 3.63Å; L496-F506 HydrophobicContact CD1-CE1 4.24Å; L496-F506 HydrophobicContact CD1-CE2 3.7Å; L496-F506 HydrophobicContact CD1-CG 3.86Å; L496-F506 HydrophobicContact CD1-CZ 4.01Å; L502-F506 HydrophobicContact CD2-CE2 4.39Å; L502-F506 WeakPolarHBondContact O-CD2 3.35Å; L502-F506 PolarHBondContact O-N 2.7Å; L504-F506 PolarHBondContact O-N 3.13Å; F506-L509 PolarHBondContact O-N 2.95Å; F506-E510 WeakPolarHBondContact O-CB 3.16Å; F506-E510 PolarHBondContact O-N 2.98Å; F506-F535 HydrophobicContact CE2-CB 4.07Å; F506-F535 HydrophobicContact CZ-CB 3.63Å; F506-L536 HydrophobicContact CE1-CD2 3.86Å; F506-L536 HydrophobicContact CE1-CG 4.4Å; F506-L536 HydrophobicContact CZ-CD2 3.99Å; F506-L536 HydrophobicContact CZ-CG 4.1Å; F506-K539 HydrophobicContact CD1-CD 3.94Å; F506-K539 HydrophobicContact CE1-CD 3.92Å
507K88.9Confident89.4Confident73 Ų7336.6 Ų36.632%0.31719%0.193SC..Hα-helixtrans-65.6-41.7169.9-73.1174.9-179.41790112.2V503 L504 L509 E510 K511 I700V503-K507 HydrophobicContact CG1-CD 4.22Å; V503-K507 WeakPolarHBondContact O-CG 3.24Å; V503-K507 PolarHBondContact O-N 3.02Å; V503-K507 VanDerWaalsContact O-N 3.13Å; L504-K507 PolarHBondContact O-N 3.49Å; K507-L509 VanDerWaalsContact C-N 3.35Å; K507-E510 PolarHBondContact O-N 3.47Å; K507-K511 PolarHBondContact O-N 3.03Å; K507-I700 PolarHBondContact NZ-O 3.33Å
508I91.3Very high89.8Confident21 Ų2131.8 Ų31.811%0.10817%0.17CC..Hα-helixtrans-63.6-42.7174.1-68.3-179.3000110.2L322 L504 L505 E510 K511 C512 L519 V606 Y636 F638L322-I508 HydrophobicContact CD1-CD1 4.44Å; L504-I508 HydrophobicContact CG-CD1 4.38Å; L504-I508 WeakPolarHBondContact O-CG1 3.31Å; L504-I508 PolarHBondContact O-N 3.42Å; L505-I508 PolarHBondContact O-N 3.28Å; I508-E510 VanDerWaalsContact C-N 3.34Å; I508-E510 PolarHBondContact O-N 2.86Å; I508-K511 PolarHBondContact O-N 3.35Å; I508-C512 WeakPolarHBondContact O-CB 3.32Å; I508-C512 PolarHBondContact O-N 3.27Å; I508-C512 PolarHBondContact O-SG 3.25Å; I508-L519 HydrophobicContact CG2-CD1 4.06Å; I508-L519 HydrophobicContact CG2-CD2 4.39Å; I508-V606 HydrophobicContact CD1-CG2 4.35Å; I508-V606 HydrophobicContact CG2-CG2 4.25Å; I508-Y636 HydrophobicContact CD1-CD1 4.49Å; I508-Y636 HydrophobicContact CD1-CD2 4.08Å; I508-Y636 HydrophobicContact CD1-CG 4.02Å; I508-Y636 HydrophobicContact CG2-CD2 4.34Å; I508-Y636 HydrophobicContact CG2-CE2 4.23Å; I508-F638 HydrophobicContact CD1-CE1 3.81Å; I508-F638 HydrophobicContact CD1-CZ 3.84Å
509L90.8Very high90.1Very high9 Ų931.8 Ų31.85%0.04717%0.17CC..Hα-helixtrans-60.9-41.8177.2-175.567.1000112.4L505 F506 K507 C512 A513 L519 L536 W550 L585L505-L509 WeakPolarHBondContact O-CB 3.46Å; L505-L509 PolarHBondContact O-N 3.5Å; F506-L509 PolarHBondContact O-N 2.95Å; K507-L509 VanDerWaalsContact C-N 3.35Å; L509-C512 PolarHBondContact O-N 2.85Å; L509-A513 WeakPolarHBondContact O-CB 3.47Å; L509-A513 PolarHBondContact O-N 3.25Å; L509-L519 HydrophobicContact CB-CD2 4.1Å; L509-L519 HydrophobicContact CD1-CB 4.27Å; L509-L519 HydrophobicContact CD1-CD2 3.73Å; L509-L536 HydrophobicContact CD2-CD2 3.77Å; L509-W550 HydrophobicContact CD1-CH2 3.68Å; L509-W550 HydrophobicContact CD1-CZ2 4.05Å; L509-W550 HydrophobicContact CD2-CH2 3.97Å; L509-W550 HydrophobicContact CD2-CZ2 3.61Å; L509-W550 HydrophobicContact CG-CH2 3.96Å; L509-W550 HydrophobicContact CG-CZ2 3.78Å; L509-L585 HydrophobicContact CD1-CB 4.31Å; L509-L585 HydrophobicContact CD1-CD1 4.31Å; L509-L585 HydrophobicContact CD1-CD2 4.21Å; L509-L585 HydrophobicContact CD2-CD2 4.4Å
510E86.6Confident90.4Very high60 Ų6031.8 Ų31.828%0.2817%0.17SC..Hα-helixtrans-59.7-50.7172.6163.3159-113.200111.7F506 K507 I508 C512 A513 E514 L545F506-E510 WeakPolarHBondContact O-CB 3.16Å; F506-E510 PolarHBondContact O-N 2.98Å; K507-E510 PolarHBondContact O-N 3.47Å; I508-E510 VanDerWaalsContact C-N 3.34Å; I508-E510 PolarHBondContact O-N 2.86Å; E510-C512 PolarHBondContact O-N 3.44Å; E510-A513 WeakPolarHBondContact O-CB 3.35Å; E510-A513 PolarHBondContact O-N 2.98Å; E510-A513 VanDerWaalsContact O-N 3.14Å; E510-E514 PolarHBondContact O-N 2.84Å; E510-L545 HydrophobicContact CB-CD1 4.26Å; E510-L545 HydrophobicContact CB-CD2 4.01Å; E510-L545 HydrophobicContact CB-CG 4.42Å; E510-L545 HydrophobicContact CG-CD2 3.72Å; E510-L545 HydrophobicContact CG-CG 4.35Å
511K89.3Confident90.8Very high111 Ų11131.7 Ų31.748%0.48317%0.169SC..Hα-helixtrans-65.5-32.6176.1-66.4-46.5-171.2-170.70114.1K507 I508 E514 I515K507-K511 PolarHBondContact O-N 3.03Å; I508-K511 PolarHBondContact O-N 3.35Å; K511-E514 VanDerWaalsContact CD-CD 3.48Å; K511-E514 WeakPolarHBondContact CD-OE1 3.37Å; K511-E514 WeakPolarHBondContact CD-OE2 3.41Å; K511-E514 WeakPolarHBondContact CE-OE2 3.46Å; K511-E514 IonicContact NZ-OE1 3.83Å; K511-E514 PolarHBondContact NZ-OE1 3.48Å; K511-E514 IonicContact NZ-OE2 2.84Å; K511-E514 PolarHBondContact NZ-OE2 3.18Å; K511-E514 PolarHBondContact O-N 2.67Å; K511-I515 WeakPolarHBondContact O-CD1 3.43Å; K511-I515 WeakPolarHBondContact O-CG1 3.4Å; K511-I515 PolarHBondContact O-N 2.96Å; K511-I515 VanDerWaalsContact O-N 3.11Å
512C90.8Very high90.9Very high4 Ų431.6 Ų31.63%0.02717%0.169CC..Hα-helixtrans-66.7-38.6172.6-65.60000111.5I508 L509 E510 I515 G516 D517 L519I508-C512 WeakPolarHBondContact O-CB 3.32Å; I508-C512 PolarHBondContact O-N 3.27Å; I508-C512 PolarHBondContact O-SG 3.25Å; L509-C512 PolarHBondContact O-N 2.85Å; E510-C512 PolarHBondContact O-N 3.44Å; C512-I515 PolarHBondContact O-N 2.96Å; C512-G516 PolarHBondContact O-N 3.2Å; C512-D517 PolarHBondContact O-N 3.33Å; C512-L519 HydrophobicContact CB-CB 4.44Å
513A85.5Confident91Very high30 Ų3031.6 Ų31.625%0.24817%0.169CC..Hα-helixtrans-67.7-37.9175.500000112.8L509 E510 I515 G516L509-A513 WeakPolarHBondContact O-CB 3.47Å; L509-A513 PolarHBondContact O-N 3.25Å; E510-A513 WeakPolarHBondContact O-CB 3.35Å; E510-A513 PolarHBondContact O-N 2.98Å; E510-A513 VanDerWaalsContact O-N 3.14Å; A513-I515 VanDerWaalsContact C-N 3.35Å; A513-G516 PolarHBondContact O-N 3.07Å
514E86.5Confident91.1Very high113 Ų11333.3 Ų33.353%0.52818%0.176SC..Hα-helixtrans-61.5-40.1171.9-72.5174.5-155.600112.5E510 K511E510-E514 PolarHBondContact O-N 2.84Å; K511-E514 VanDerWaalsContact CD-CD 3.48Å; K511-E514 WeakPolarHBondContact CD-OE1 3.37Å; K511-E514 WeakPolarHBondContact CD-OE2 3.41Å; K511-E514 WeakPolarHBondContact CE-OE2 3.46Å; K511-E514 IonicContact NZ-OE1 3.83Å; K511-E514 PolarHBondContact NZ-OE1 3.48Å; K511-E514 IonicContact NZ-OE2 2.84Å; K511-E514 PolarHBondContact NZ-OE2 3.18Å; K511-E514 PolarHBondContact O-N 2.67Å
515I89.3Confident91.1Very high101 Ų10133.3 Ų33.352%0.51818%0.177SC..Hα-helixtrans-79.5-22.9-178.7-64.9166.4000112.3K511 C512 A513 D517K511-I515 WeakPolarHBondContact O-CD1 3.43Å; K511-I515 WeakPolarHBondContact O-CG1 3.4Å; K511-I515 PolarHBondContact O-N 2.96Å; K511-I515 VanDerWaalsContact O-N 3.11Å; C512-I515 PolarHBondContact O-N 2.96Å; A513-I515 VanDerWaalsContact C-N 3.35Å; I515-D517 HydrophobicContact CG2-CB 4.25Å; I515-D517 WeakPolarHBondContact CG2-OD2 3.46Å
516G88.2Confident91.1Very high51 Ų5137 Ų3753%0.52620%0.196SC..THydrogen-bonded Turntrans78.923.3-170.400000113.8C512 A513C512-G516 PolarHBondContact O-N 3.2Å; A513-G516 PolarHBondContact O-N 3.07Å
517D91.8Very high91.2Very high12 Ų1237.3 Ų37.36%0.06420%0.198CC..PPolyproline II helixtrans-92.9137.7176.5-82-16.9000111.1C512 I515 N603 R604 K631C512-D517 PolarHBondContact O-N 3.33Å; I515-D517 HydrophobicContact CG2-CB 4.25Å; I515-D517 WeakPolarHBondContact CG2-OD2 3.46Å; D517-N603 WeakPolarHBondContact CB-OD1 3.43Å; D517-N603 PolarHBondContact OD1-ND2 3.37Å; D517-N603 PolarHBondContact OD1-OD1 3.43Å; D517-N603 VanDerWaalsContact OD1-OD1 3.12Å; D517-N603 PolarHBondContact OD2-ND2 2.97Å; D517-R604 HydrophobicContact CB-CG 3.74Å; D517-R604 IonicContact OD2-CZ 3.94Å; D517-R604 VanDerWaalsContact OD2-CZ 3.3Å; D517-R604 IonicContact OD2-NE 2.95Å; D517-R604 PolarHBondContact OD2-NE 2.9Å; D517-R604 IonicContact OD2-NH2 3.81Å; D517-R604 PolarHBondContact OD2-NH2 3.41Å; D517-K631 IonicContact OD1-NZ 3.99Å; D517-K631 PolarHBondContact OD1-NZ 3.48Å
518K93.5Very high91.4Very high20 Ų2033.9 Ų33.99%0.08718%0.184CC..PPolyproline II helixtrans-80.1126.9175.1-60-170.8-176.8-167.50110.7F575 D577 D580 C583 R584 S602K518-F575 HydrophobicContact CB-CE2 4.03Å; K518-F575 HydrophobicContact CB-CZ 4.01Å; K518-F575 HydrophobicContact CD-CD2 4.29Å; K518-F575 HydrophobicContact CD-CE2 4.13Å; K518-F575 WeakPolarHBondContact CD-O 3.36Å; K518-F575 PolarHBondContact NZ-O 3.27Å; K518-D577 PolarHBondContact NZ-O 3.21Å; K518-D580 VanDerWaalsContact CE-O 3.29Å; K518-D580 WeakPolarHBondContact CE-O 3.4Å; K518-D580 PolarHBondContact NZ-O 3.08Å; K518-C583 VanDerWaalsContact CD-O 3.24Å; K518-C583 WeakPolarHBondContact CD-O 3.47Å; K518-C583 VanDerWaalsContact CE-O 3.28Å; K518-C583 WeakPolarHBondContact CE-O 3.46Å; K518-R584 CarbonylContact C-O 3.53Å; K518-R584 WeakPolarHBondContact CA-O 3.41Å; K518-S602 WeakPolarHBondContact O-CB 3.5Å; K518-S602 PolarHBondContact O-OG 2.95Å
519L95.1Very high91.6Very high0 Ų032.9 Ų32.90%018%0.179CC..EExtended strand (participates in β ladder)trans-90.7137.9177.6-171.565.5000111.3L505 I508 L509 C512 V521 R584 L585 L586 R604 V606L505-L519 HydrophobicContact CD1-CD2 4.36Å; I508-L519 HydrophobicContact CG2-CD1 4.06Å; I508-L519 HydrophobicContact CG2-CD2 4.39Å; L509-L519 HydrophobicContact CB-CD2 4.1Å; L509-L519 HydrophobicContact CD1-CB 4.27Å; L509-L519 HydrophobicContact CD1-CD2 3.73Å; C512-L519 HydrophobicContact CB-CB 4.44Å; L519-V521 HydrophobicContact CD2-CG2 4.04Å; L519-V521 HydrophobicContact CG-CG2 4.15Å; L519-R584 PolarHBondContact N-O 3.26Å; L519-L585 HydrophobicContact CB-CD1 4.14Å; L519-L585 HydrophobicContact CD2-CD1 4.18Å; L519-L585 HydrophobicContact CG-CD1 4.19Å; L519-L585 CarbonylContact O-C 3.49Å; L519-L585 VanDerWaalsContact O-CA 3.31Å; L519-L585 WeakPolarHBondContact O-CA 3.34Å; L519-L586 PolarHBondContact O-N 2.64Å; L519-R604 HydrophobicContact CD1-CB 3.65Å; L519-V606 HydrophobicContact CD1-CG2 3.99Å
520L95.4Very high91.7Very high0 Ų035 Ų350%019%0.19CC..EExtended strand (participates in β ladder)trans-118.3130.6169.4-172.4156.9000109.1F522 F575 L586 V588 L599 R604 V605 V606 V624L520-F522 HydrophobicContact CD1-CZ 4.34Å; L520-F522 HydrophobicContact CD2-CD1 3.86Å; L520-F522 HydrophobicContact CD2-CD2 3.51Å; L520-F522 HydrophobicContact CD2-CE1 3.64Å; L520-F522 HydrophobicContact CD2-CE2 3.29Å; L520-F522 HydrophobicContact CD2-CG 3.78Å; L520-F522 HydrophobicContact CD2-CZ 3.34Å; L520-F522 HydrophobicContact CG-CZ 4.5Å; L520-F575 HydrophobicContact CB-CZ 4.43Å; L520-F575 HydrophobicContact CD1-CE1 4.22Å; L520-L586 WeakPolarHBondContact CA-O 3.47Å; L520-L586 HydrophobicContact CD1-CD2 4.16Å; L520-V588 HydrophobicContact CD1-CG2 4.43Å; L520-V588 HydrophobicContact CD2-CG2 4.3Å; L520-V588 HydrophobicContact CG-CG2 4.22Å; L520-L599 HydrophobicContact CD1-CB 3.98Å; L520-L599 HydrophobicContact CD1-CD1 3.7Å; L520-L599 HydrophobicContact CD1-CG 4.4Å; L520-R604 PolarHBondContact N-O 2.95Å; L520-V605 HydrophobicContact CD2-CG1 4.25Å; L520-V605 CarbonylContact O-C 3.59Å; L520-V605 WeakPolarHBondContact O-CA 3.45Å; L520-V606 PolarHBondContact O-N 2.91Å; L520-V624 HydrophobicContact CD1-CG2 3.94Å
521V96Very high92Very high1 Ų132.1 Ų32.11%0.00618%0.176CC..EExtended strand (participates in β ladder)trans-117.3118.8179.7-177.20000109.7L505 L519 I532 L585 L586 L587 V588 V606 F608L505-V521 HydrophobicContact CD1-CG1 4.39Å; L505-V521 HydrophobicContact CD1-CG2 3.78Å; L519-V521 HydrophobicContact CD2-CG2 4.04Å; L519-V521 HydrophobicContact CG-CG2 4.15Å; V521-I532 HydrophobicContact CG1-CD1 4.33Å; V521-L585 HydrophobicContact CG2-CD1 3.68Å; V521-L586 PolarHBondContact N-O 3.33Å; V521-L587 HydrophobicContact CB-CD2 3.88Å; V521-L587 HydrophobicContact CG1-CD2 4.46Å; V521-L587 HydrophobicContact CG2-CD2 4.22Å; V521-V588 PolarHBondContact O-N 3.2Å; V521-V606 HydrophobicContact CG2-CB 4.38Å; V521-F608 HydrophobicContact CG1-CB 4.46Å
522F95.1Very high92.1Very high1 Ų127 Ų270%0.00415%0.154CC..EExtended strand (participates in β ladder)trans-97.1129.7172.2-75-54.4000110.6L520 V588 I590 V605 V606 I607 F608 A620L520-F522 HydrophobicContact CD1-CZ 4.34Å; L520-F522 HydrophobicContact CD2-CD1 3.86Å; L520-F522 HydrophobicContact CD2-CD2 3.51Å; L520-F522 HydrophobicContact CD2-CE1 3.64Å; L520-F522 HydrophobicContact CD2-CE2 3.29Å; L520-F522 HydrophobicContact CD2-CG 3.78Å; L520-F522 HydrophobicContact CD2-CZ 3.34Å; L520-F522 HydrophobicContact CG-CZ 4.5Å; F522-V588 WeakPolarHBondContact CA-O 3.27Å; F522-V588 HydrophobicContact CD1-CB 3.71Å; F522-V588 HydrophobicContact CD1-CG1 4.01Å; F522-V588 HydrophobicContact CE1-CB 3.7Å; F522-V588 HydrophobicContact CE1-CG1 3.69Å; F522-V588 HydrophobicContact CE1-CG2 4.28Å; F522-I590 HydrophobicContact CB-CD1 4.48Å; F522-I590 HydrophobicContact CB-CG1 3.77Å; F522-I590 HydrophobicContact CD1-CG1 4.48Å; F522-I590 HydrophobicContact CG-CG1 4.39Å; F522-V605 HydrophobicContact CD2-CG1 3.59Å; F522-V605 HydrophobicContact CE2-CG1 3.78Å; F522-V606 PolarHBondContact N-O 3.46Å; F522-I607 HydrophobicContact CB-CG1 4.45Å; F522-I607 HydrophobicContact CD2-CG1 4.48Å; F522-F608 PolarHBondContact O-N 3.01Å; F522-A620 HydrophobicContact CD1-CB 4.17Å; F522-A620 HydrophobicContact CD2-CB 4.32Å; F522-A620 HydrophobicContact CE1-CB 3.68Å; F522-A620 HydrophobicContact CE2-CB 3.82Å; F522-A620 HydrophobicContact CZ-CB 3.48Å; F522-A620 VanDerWaalsContact CZ-CB 3.48Å; F522-A620 WeakPolarHBondContact CZ-O 3.25Å
523S94.4Very high92.2Very high0 Ų027.3 Ų27.30%016%0.155CC..EExtended strand (participates in β ladder)trans-137.3152168.1-179.30000110.8S525 V588 S589 I590 D609S523-S525 PolarHBondContact OG-N 3.33Å; S523-S525 PolarHBondContact OG-O 2.96Å; S523-V588 PolarHBondContact N-O 3.08Å; S523-S589 CarbonylContact O-C 3.53Å; S523-S589 VanDerWaalsContact O-CA 3.26Å; S523-S589 WeakPolarHBondContact O-CA 3.28Å; S523-I590 PolarHBondContact O-N 2.67Å; S523-D609 WeakPolarHBondContact CA-OD1 3.49Å; S523-D609 WeakPolarHBondContact CB-OD1 3.16Å; S523-D609 PolarHBondContact OG-OD1 3.49Å; S523-D609 PolarHBondContact OG-OD2 3.43Å
524Q90.6Very high92.4Very high53 Ų5329.2 Ų29.225%0.24816%0.158CC..SBendtrans-86.9-22.8169.954.8-177.6-0.500112.4I590 D609 A610 N611Q524-I590 HydrophobicContact CB-CD1 4.17Å; Q524-D609 WeakPolarHBondContact CG-OD2 3.22Å; Q524-D609 PolarHBondContact N-OD1 3.41Å; Q524-A610 PolarHBondContact NE2-O 2.92Å; Q524-N611 VanDerWaalsContact OE1-CB 3.29Å; Q524-N611 VanDerWaalsContact OE1-CG 3.24Å; Q524-N611 PolarHBondContact OE1-OD1 3.42Å
525S90.4Very high92.6Very high18 Ų1824.2 Ų24.213%0.12614%0.135CC..  trans-91.5118.1-178.9178.20000112.4S523 I527 M528 L529S523-S525 PolarHBondContact OG-N 3.33Å; S523-S525 PolarHBondContact OG-O 2.96Å; S525-I527 PolarHBondContact O-N 2.81Å; S525-I527 PolarHBondContact OG-N 3.01Å; S525-M528 WeakPolarHBondContact O-CB 3.3Å; S525-M528 PolarHBondContact O-N 3.4Å; S525-M528 PolarHBondContact OG-N 2.76Å; S525-L529 PolarHBondContact O-N 2.83Å
526L92.2Very high92.6Very high82 Ų8219.5 Ų19.543%0.42911%0.11SC..Hα-helixtrans-64.8-30.2171.9-63.2-179.2000112.1M528 L529 N530 D560L526-M528 VanDerWaalsContact C-N 3.29Å; L526-L529 HydrophobicContact CD2-CD1 4.22Å; L526-L529 PolarHBondContact O-N 3.35Å; L526-N530 PolarHBondContact O-N 2.83Å; L526-N530 PolarHBondContact O-OD1 2.78Å; L526-D560 HydrophobicContact CD2-CB 4.03Å
527I92.5Very high92.4Very high23 Ų2322 Ų2212%0.11811%0.108CC..Hα-helixtrans-64.8-38.6175-62.7169.8000109.8L365 A372 L375 H376 S525 N530 L531L365-I527 HydrophobicContact CD2-CD1 4.33Å; L365-I527 HydrophobicContact CD2-CG2 4.35Å; A372-I527 HydrophobicContact CB-CG2 4.21Å; L375-I527 HydrophobicContact CB-CG2 3.73Å; L375-I527 HydrophobicContact CD1-CG2 4.26Å; H376-I527 HydrophobicContact CB-CD1 3.81Å; S525-I527 PolarHBondContact O-N 2.81Å; S525-I527 PolarHBondContact OG-N 3.01Å; I527-N530 WeakPolarHBondContact O-CB 3.3Å; I527-N530 PolarHBondContact O-N 3.13Å; I527-L531 WeakPolarHBondContact O-CB 3.44Å; I527-L531 PolarHBondContact O-N 3.07Å
528M94.2Very high91.7Very high2 Ų224.3 Ų24.31%0.0113%0.129CC..Hα-helixtrans-66.6-39.7175.5-164.763.2-125.800112N368 L502 S525 L526 L531 I532 F608N368-M528 HydrophobicContact CB-SD 3.78Å; L502-M528 HydrophobicContact CD1-CE 4.06Å; L502-M528 HydrophobicContact CD2-CE 3.49Å; L502-M528 VanDerWaalsContact CD2-CE 3.49Å; L502-M528 HydrophobicContact CG-CE 3.92Å; S525-M528 WeakPolarHBondContact O-CB 3.3Å; S525-M528 PolarHBondContact O-N 3.4Å; S525-M528 PolarHBondContact OG-N 2.76Å; L526-M528 VanDerWaalsContact C-N 3.29Å; M528-L531 HydrophobicContact CE-CB 4.22Å; M528-L531 HydrophobicContact CE-CD2 3.93Å; M528-L531 HydrophobicContact CE-CG 4.22Å; M528-L531 PolarHBondContact O-N 3.19Å; M528-L531 HydrophobicContact SD-CD2 4.32Å; M528-I532 HydrophobicContact CE-CD1 4.18Å; M528-I532 HydrophobicContact CE-CG1 3.77Å; M528-I532 HydrophobicContact CG-CD1 4.31Å; M528-I532 WeakPolarHBondContact O-CG1 3.43Å; M528-I532 PolarHBondContact O-N 2.96Å; M528-F608 HydrophobicContact CE-CE1 3.82Å; M528-F608 HydrophobicContact CE-CE2 4.42Å; M528-F608 HydrophobicContact CE-CZ 3.65Å; M528-F608 HydrophobicContact CG-CD1 3.65Å; M528-F608 HydrophobicContact CG-CE1 3.52Å; M528-F608 HydrophobicContact CG-CZ 4.27Å; M528-F608 HydrophobicContact SD-CD1 4.22Å; M528-F608 HydrophobicContact SD-CE1 3.45Å; M528-F608 WeakPolarHBondContact SD-CE1 3.43Å; M528-F608 HydrophobicContact SD-CZ 3.92Å
529L94.2Very high90.2Very high0 Ų026.7 Ų26.70%014%0.139CC..Hα-helixtrans-62.5-45.7172.5-60.7-174.7000111.6S525 L526 L531 I532 E533 L587S525-L529 PolarHBondContact O-N 2.83Å; L526-L529 HydrophobicContact CD2-CD1 4.22Å; L526-L529 PolarHBondContact O-N 3.35Å; L529-L531 VanDerWaalsContact C-N 3.27Å; L529-L531 PolarHBondContact O-N 3.1Å; L529-I532 PolarHBondContact O-N 3.3Å; L529-E533 WeakPolarHBondContact O-CG 3.2Å; L529-E533 PolarHBondContact O-N 2.85Å; L529-L587 HydrophobicContact CD2-CB 4.29Å
530N93.5Very high88Confident52 Ų5229.5 Ų29.528%0.27816%0.157SC..Hα-helixtrans-56.4-41.6174.1-63.5-9.9000111.4L526 I527 E533 K534 R558L526-N530 PolarHBondContact O-N 2.83Å; L526-N530 PolarHBondContact O-OD1 2.78Å; I527-N530 WeakPolarHBondContact O-CB 3.3Å; I527-N530 PolarHBondContact O-N 3.13Å; N530-E533 PolarHBondContact O-N 2.98Å; N530-K534 PolarHBondContact O-N 3.23Å; N530-R558 PolarHBondContact OD1-NH1 3.37Å; N530-R558 PolarHBondContact OD1-NH2 2.91Å
531L92.7Very high85.7Confident0 Ų039 Ų390%020%0.198CC..Hα-helixtrans-70.2-39.6-179.2-175.959.7000112.4H369 R371 A372 L375 L502 I527 M528 L529 K534 F535H369-L531 HydrophobicContact CB-CD2 3.63Å; R371-L531 HydrophobicContact CB-CD1 4Å; R371-L531 HydrophobicContact CB-CD2 4.32Å; R371-L531 HydrophobicContact CG-CD1 3.73Å; A372-L531 HydrophobicContact CB-CD2 4.33Å; L375-L531 HydrophobicContact CD1-CB 3.94Å; L375-L531 HydrophobicContact CD1-CD1 3.89Å; L375-L531 HydrophobicContact CD1-CG 4.39Å; L502-L531 HydrophobicContact CD1-CD2 4.48Å; I527-L531 WeakPolarHBondContact O-CB 3.44Å; I527-L531 PolarHBondContact O-N 3.07Å; M528-L531 HydrophobicContact CE-CB 4.22Å; M528-L531 HydrophobicContact CE-CD2 3.93Å; M528-L531 HydrophobicContact CE-CG 4.22Å; M528-L531 PolarHBondContact O-N 3.19Å; M528-L531 HydrophobicContact SD-CD2 4.32Å; L529-L531 VanDerWaalsContact C-N 3.27Å; L529-L531 PolarHBondContact O-N 3.1Å; L531-K534 PolarHBondContact O-N 2.83Å; L531-F535 HydrophobicContact CD1-CD2 3.86Å; L531-F535 HydrophobicContact CD1-CE2 3.51Å; L531-F535 HydrophobicContact CD1-CZ 4.43Å; L531-F535 HydrophobicContact CD2-CE2 4.27Å; L531-F535 HydrophobicContact CG-CD2 3.9Å; L531-F535 HydrophobicContact CG-CE2 3.74Å; L531-F535 VanDerWaalsContact O-CD2 3.27Å; L531-F535 WeakPolarHBondContact O-CD2 3.13Å; L531-F535 PolarHBondContact O-N 2.86Å
532I93Very high83.2Confident3 Ų350.3 Ų50.32%0.01524%0.24CC..Hα-helixtrans-61.9-44.3172.7-67.7162.8000110.2L502 L505 V521 M528 L529 K534 F535 L536 L587L502-I532 HydrophobicContact CD2-CG1 3.96Å; L505-I532 HydrophobicContact CD2-CD1 3.75Å; L505-I532 HydrophobicContact CD2-CG1 3.94Å; L505-I532 HydrophobicContact CD2-CG2 4.33Å; V521-I532 HydrophobicContact CG1-CD1 4.33Å; M528-I532 HydrophobicContact CE-CD1 4.18Å; M528-I532 HydrophobicContact CE-CG1 3.77Å; M528-I532 HydrophobicContact CG-CD1 4.31Å; M528-I532 WeakPolarHBondContact O-CG1 3.43Å; M528-I532 PolarHBondContact O-N 2.96Å; L529-I532 PolarHBondContact O-N 3.3Å; I532-K534 PolarHBondContact O-N 3.25Å; I532-F535 PolarHBondContact O-N 3.23Å; I532-L536 HydrophobicContact CG2-CD1 3.92Å; I532-L536 HydrophobicContact CG2-CG 4.37Å; I532-L536 VanDerWaalsContact O-CG 3.3Å; I532-L536 WeakPolarHBondContact O-CG 3.4Å; I532-L536 PolarHBondContact O-N 3.48Å; I532-L587 HydrophobicContact CG2-CD1 4.07Å; I532-L587 HydrophobicContact CG2-CD2 3.92Å
533E92.6Very high80.6Confident12 Ų1252.9 Ų52.96%0.05626%0.258CS..Hα-helixtrans-57.3-47.7173.7-68.1-173.7131.700111.2L529 N530 F535 L536 E537 R552 Y556 R558 L587L529-E533 WeakPolarHBondContact O-CG 3.2Å; L529-E533 PolarHBondContact O-N 2.85Å; N530-E533 PolarHBondContact O-N 2.98Å; E533-F535 VanDerWaalsContact C-N 3.34Å; E533-F535 PolarHBondContact O-N 2.87Å; E533-L536 PolarHBondContact O-N 3.12Å; E533-E537 WeakPolarHBondContact O-CG 3.44Å; E533-E537 PolarHBondContact O-N 3.49Å; E533-R552 IonicContact OE1-CZ 3.5Å; E533-R552 VanDerWaalsContact OE1-CZ 3.31Å; E533-R552 IonicContact OE1-NE 3.49Å; E533-R552 PolarHBondContact OE1-NE 2.94Å; E533-R552 IonicContact OE1-NH1 3.55Å; E533-R552 PolarHBondContact OE1-NH1 2.92Å; E533-R552 IonicContact OE1-NH2 3.58Å; E533-R552 IonicContact OE2-NH1 2.67Å; E533-R552 PolarHBondContact OE2-NH1 3.45Å; E533-Y556 HydrophobicContact CG-CE2 3.74Å; E533-Y556 WeakPolarHBondContact OE1-CE2 3.39Å; E533-R558 VanDerWaalsContact OE1-CD 3.23Å; E533-R558 WeakPolarHBondContact OE1-CD 3.47Å; E533-R558 WeakPolarHBondContact OE2-CD 3.45Å; E533-R558 IonicContact OE2-CZ 3.45Å; E533-R558 IonicContact OE2-NE 3.3Å; E533-R558 IonicContact OE2-NH1 3.42Å; E533-R558 PolarHBondContact OE2-NH1 3.26Å; E533-L587 HydrophobicContact CG-CD1 3.59Å
534K89.9Confident78.2Confident69 Ų6961 Ų6130%0.330%0.301SS..Hα-helixtrans-56.2-44.4175.7-171.4-172.2174.9-171.20112.2D494 N530 L531 I532 E537 A538D494-K534 IonicContact OD1-NZ 2.78Å; D494-K534 PolarHBondContact OD1-NZ 2.89Å; D494-K534 IonicContact OD2-NZ 3.2Å; D494-K534 PolarHBondContact OD2-NZ 3.05Å; N530-K534 PolarHBondContact O-N 3.23Å; L531-K534 PolarHBondContact O-N 2.83Å; I532-K534 PolarHBondContact O-N 3.25Å; K534-E537 PolarHBondContact O-N 3.44Å; K534-A538 VanDerWaalsContact O-CB 3.23Å; K534-A538 WeakPolarHBondContact O-CB 3.33Å; K534-A538 PolarHBondContact O-N 3.28Å
535F89.6Confident76.1Confident9 Ų960 Ų604%0.03930%0.297CS..Hα-helixtrans-70.9-33.1-179.7-82.1-64.2000113.8H369 D494 L496 L502 F506 L531 I532 E533 K539H369-F535 AromaticContact CE1-CZ 3.82Å; H369-F535 AromaticContact NE2-CE2 3.94Å; H369-F535 AromaticContact NE2-CZ 3.61Å; D494-F535 WeakPolarHBondContact O-CE1 3.35Å; L496-F535 HydrophobicContact CB-CD1 4.02Å; L496-F535 HydrophobicContact CB-CE1 3.76Å; L496-F535 HydrophobicContact CB-CZ 4.33Å; L496-F535 HydrophobicContact CD1-CB 4.22Å; L496-F535 HydrophobicContact CD1-CD1 3.94Å; L496-F535 HydrophobicContact CD1-CE1 4.47Å; L496-F535 HydrophobicContact CD1-CG 4.08Å; L496-F535 HydrophobicContact CG-CD1 4.43Å; L496-F535 HydrophobicContact CG-CE1 4.49Å; L502-F535 HydrophobicContact CD1-CD2 3.52Å; L502-F535 HydrophobicContact CD1-CE2 3.31Å; L502-F535 HydrophobicContact CD1-CZ 4.22Å; F506-F535 HydrophobicContact CE2-CB 4.07Å; F506-F535 HydrophobicContact CZ-CB 3.63Å; L531-F535 HydrophobicContact CD1-CD2 3.86Å; L531-F535 HydrophobicContact CD1-CE2 3.51Å; L531-F535 HydrophobicContact CD1-CZ 4.43Å; L531-F535 HydrophobicContact CD2-CE2 4.27Å; L531-F535 HydrophobicContact CG-CD2 3.9Å; L531-F535 HydrophobicContact CG-CE2 3.74Å; L531-F535 VanDerWaalsContact O-CD2 3.27Å; L531-F535 WeakPolarHBondContact O-CD2 3.13Å; L531-F535 PolarHBondContact O-N 2.86Å; I532-F535 PolarHBondContact O-N 3.23Å; E533-F535 VanDerWaalsContact C-N 3.34Å; E533-F535 PolarHBondContact O-N 2.87Å; F535-K539 PolarHBondContact O-N 2.83Å
536L88.7Confident74.1Confident1 Ų165.2 Ų65.21%0.00533%0.33CS..Hα-helixtrans-64.1-43171.7-69.4165.7000111F506 L509 I532 E533 W550 Y556 L585F506-L536 HydrophobicContact CE1-CD2 3.86Å; F506-L536 HydrophobicContact CE1-CG 4.4Å; F506-L536 HydrophobicContact CZ-CD2 3.99Å; F506-L536 HydrophobicContact CZ-CG 4.1Å; L509-L536 HydrophobicContact CD2-CD2 3.77Å; I532-L536 HydrophobicContact CG2-CD1 3.92Å; I532-L536 HydrophobicContact CG2-CG 4.37Å; I532-L536 VanDerWaalsContact O-CG 3.3Å; I532-L536 WeakPolarHBondContact O-CG 3.4Å; I532-L536 PolarHBondContact O-N 3.48Å; E533-L536 PolarHBondContact O-N 3.12Å; L536-W550 HydrophobicContact CB-CB 4.15Å; L536-W550 HydrophobicContact CB-CG 4.44Å; L536-W550 HydrophobicContact CD2-CB 4.49Å; L536-W550 HydrophobicContact CD2-CD2 3.85Å; L536-W550 HydrophobicContact CD2-CE3 4.26Å; L536-W550 HydrophobicContact CD2-CG 3.92Å; L536-Y556 HydrophobicContact CB-CE1 4.29Å; L536-Y556 HydrophobicContact CD1-CD1 4.1Å; L536-Y556 HydrophobicContact CD1-CD2 4.4Å; L536-Y556 HydrophobicContact CD1-CE1 4.18Å; L536-Y556 HydrophobicContact CD1-CG 4.19Å; L536-L585 HydrophobicContact CD1-CD2 3.67Å; L536-L585 HydrophobicContact CD2-CD2 4.28Å
537E84.1Confident72.3Confident103 Ų10364.9 Ų64.948%0.48133%0.332SS..Hα-helixtrans-74-29.5178.7-68.9176.6-176.400113.5E533 K534 V540 Y556E533-E537 WeakPolarHBondContact O-CG 3.44Å; E533-E537 PolarHBondContact O-N 3.49Å; K534-E537 PolarHBondContact O-N 3.44Å; E537-V540 WeakPolarHBondContact O-CG2 3.39Å; E537-Y556 PolarHBondContact OE1-OH 3.41Å; E537-Y556 VanDerWaalsContact OE1-OH 3.09Å
538A78Confident70.6Confident62 Ų6266.5 Ų66.551%0.51235%0.354SS..Hα-helixtrans-78.7-33.4179.600000113.6K534 V540K534-A538 VanDerWaalsContact O-CB 3.23Å; K534-A538 WeakPolarHBondContact O-CB 3.33Å; K534-A538 PolarHBondContact O-N 3.28Å; A538-V540 PolarHBondContact O-N 3.33Å
539K62.2Low69.3Low69 Ų6974.6 Ų74.630%0.338%0.384SS..G310 helixtrans-66-1.1-177.9-92.1-170.7167.8177.90115.5F506 F535 K541 R542F506-K539 HydrophobicContact CD1-CD 3.94Å; F506-K539 HydrophobicContact CE1-CD 3.92Å; F535-K539 PolarHBondContact O-N 2.83Å; K539-K541 PolarHBondContact O-N 2.87Å; K539-R542 PolarHBondContact O-N 3.17Å; K539-R542 VanDerWaalsContact O-N 3.15Å
540V49.9Very low68.8Low60 Ų6075.1 Ų75.136%0.36439%0.386SS..G310 helixtrans-54.4-16.1176173.70000114.5E537 A538 R549E537-V540 WeakPolarHBondContact O-CG2 3.39Å; A538-V540 PolarHBondContact O-N 3.33Å; V540-R549 HydrophobicContact CB-CG 4.33Å; V540-R549 HydrophobicContact CG1-CG 3.92Å; V540-R549 HydrophobicContact CG2-CG 3.51Å
541K46.1Very low68.5Low199 Ų19975 Ų7587%0.86539%0.387SS*.G310 helixtrans-100.7-12.9178.7-66.4-174.6177.7-1790116.2K539K539-K541 PolarHBondContact O-N 2.87Å
542R43.2Very low68.2Low238 Ų23881.3 Ų81.390%0.89841%0.411SS*.SBendtrans-153.958.3-175.8-79.3-172.7170156.6-5112.9K539K539-R542 PolarHBondContact O-N 3.17Å; K539-R542 VanDerWaalsContact O-N 3.15Å
543C40.4Very low67.9Low55 Ų5582.8 Ų82.837%0.37243%0.427SS..  trans-92.6127.6172.5-99.90000111.6L545C543-L545 VanDerWaalsContact C-N 3.25Å
544L44.7Very low67.6Low171 Ų17186 Ų8690%0.89544%0.443SS*.  trans-83.72.1169.9-78.1155000113
545L46.1Very low67.6Low32 Ų3283 Ų8317%0.16843%0.431CS..SBendtrans-87.2136.1-179.2-83.3170.1000112E510 C543 T547E510-L545 HydrophobicContact CB-CD1 4.26Å; E510-L545 HydrophobicContact CB-CD2 4.01Å; E510-L545 HydrophobicContact CB-CG 4.42Å; E510-L545 HydrophobicContact CG-CD2 3.72Å; E510-L545 HydrophobicContact CG-CG 4.35Å; C543-L545 VanDerWaalsContact C-N 3.25Å; L545-T547 PolarHBondContact O-N 2.65Å
546P49.6Very low67.8Low127 Ų12782.6 Ų82.683%0.82543%0.429SS*.SBendtrans-61.2-18.5179.6-24.834.1000115.6
547T52.9Low68Low75 Ų7583.3 Ų83.346%0.4643%0.433SS..SBendtrans-116.871.5-16760.10000113.8L545 R584L545-T547 PolarHBondContact O-N 2.65Å; T547-R584 PolarHBondContact OG1-NH1 3.06Å; T547-R584 VanDerWaalsContact OG1-NH1 3.12Å
548G56.7Low68.5Low57 Ų5780 Ų8059%0.58842%0.416SS*.  trans67.4-179145.800000120.1
549R68.4Low69.2Low172 Ų17277 Ų7765%0.64939%0.391SS*.  trans-69.7130.4178.9-161.3-175.8-176162.91.3110.3V540 V551V540-R549 HydrophobicContact CB-CG 4.33Å; V540-R549 HydrophobicContact CG1-CG 3.92Å; V540-R549 HydrophobicContact CG2-CG 3.51Å; R549-V551 HydrophobicContact CB-CG2 4.34Å; R549-V551 HydrophobicContact CG-CG2 4.27Å; R549-V551 PolarHBondContact O-N 3.35Å
550W83.7Confident70.6Confident12 Ų1274.2 Ų74.25%0.04538%0.379CS..  trans-72.5118.1168.1-72.793.3000109.6L509 L536 D555 Y556 R584 L585L509-W550 HydrophobicContact CD1-CH2 3.68Å; L509-W550 HydrophobicContact CD1-CZ2 4.05Å; L509-W550 HydrophobicContact CD2-CH2 3.97Å; L509-W550 HydrophobicContact CD2-CZ2 3.61Å; L509-W550 HydrophobicContact CG-CH2 3.96Å; L509-W550 HydrophobicContact CG-CZ2 3.78Å; L536-W550 HydrophobicContact CB-CB 4.15Å; L536-W550 HydrophobicContact CB-CG 4.44Å; L536-W550 HydrophobicContact CD2-CB 4.49Å; L536-W550 HydrophobicContact CD2-CD2 3.85Å; L536-W550 HydrophobicContact CD2-CE3 4.26Å; L536-W550 HydrophobicContact CD2-CG 3.92Å; W550-D555 HydrophobicContact CD2-CB 4.47Å; W550-D555 HydrophobicContact CE3-CB 3.68Å; W550-D555 HydrophobicContact CZ3-CB 4.14Å; W550-Y556 HydrophobicContact CB-CD1 4.45Å; W550-Y556 HydrophobicContact CE3-CD1 4.24Å; W550-R584 HydrophobicContact CH2-CB 3.99Å; W550-R584 HydrophobicContact CZ3-CB 4.12Å; W550-L585 HydrophobicContact CH2-CB 4.48Å; W550-L585 HydrophobicContact CZ3-CB 3.94Å; W550-L585 HydrophobicContact CZ3-CD2 4.43Å
551V86Confident72.3Confident48 Ų4874.1 Ų74.129%0.29139%0.39SS..  trans-119.9124.6178.5-176.60000110.4R549 G553 M554 D555R549-V551 HydrophobicContact CB-CG2 4.34Å; R549-V551 HydrophobicContact CG-CG2 4.27Å; R549-V551 PolarHBondContact O-N 3.35Å; V551-G553 PolarHBondContact O-N 2.87Å; V551-M554 HydrophobicContact CB-CB 4.27Å; V551-M554 HydrophobicContact CB-CG 4.35Å; V551-M554 HydrophobicContact CB-SD 4.47Å; V551-M554 HydrophobicContact CG1-CB 4.47Å; V551-M554 HydrophobicContact CG1-CG 4.03Å; V551-M554 HydrophobicContact CG1-SD 4.11Å; V551-M554 PolarHBondContact O-N 2.85Å; V551-D555 PolarHBondContact N-OD2 3.08Å; V551-D555 PolarHBondContact O-N 3.25Å
552R87.8Confident74.2Confident133 Ų13369.2 Ų69.250%0.50238%0.382SS..BIsolated β-bridgetrans-58.5135.3175.1-169.3170.8172.8170.80.5110.8E533 M554 Y556E533-R552 IonicContact OE1-CZ 3.5Å; E533-R552 VanDerWaalsContact OE1-CZ 3.31Å; E533-R552 IonicContact OE1-NE 3.49Å; E533-R552 PolarHBondContact OE1-NE 2.94Å; E533-R552 IonicContact OE1-NH1 3.55Å; E533-R552 PolarHBondContact OE1-NH1 2.92Å; E533-R552 IonicContact OE1-NH2 3.58Å; E533-R552 IonicContact OE2-NH1 2.67Å; E533-R552 PolarHBondContact OE2-NH1 3.45Å; R552-M554 PolarHBondContact O-N 3.18Å; R552-Y556 HydrophobicContact CB-CE1 3.98Å; R552-Y556 HydrophobicContact CB-CE2 3.95Å; R552-Y556 HydrophobicContact CG-CD2 4.47Å; R552-Y556 HydrophobicContact CG-CE2 3.74Å
553G86.5Confident76.3Confident35 Ų3558.8 Ų58.836%0.36134%0.344SS..THydrogen-bonded Turntrans79.7-1.5-176.800000114.1V551 Y556 R574V551-G553 PolarHBondContact O-N 2.87Å; G553-Y556 PolarHBondContact N-O 2.61Å; G553-R574 PolarHBondContact O-NH1 3.46Å
554M86.2Confident78.4Confident78 Ų7860 Ų6038%0.38435%0.351SS..THydrogen-bonded Turntrans-124.6-60.6173.4-49.7-167.484.400111.1V551 R552 R574 R582 C583V551-M554 HydrophobicContact CB-CB 4.27Å; V551-M554 HydrophobicContact CB-CG 4.35Å; V551-M554 HydrophobicContact CB-SD 4.47Å; V551-M554 HydrophobicContact CG1-CB 4.47Å; V551-M554 HydrophobicContact CG1-CG 4.03Å; V551-M554 HydrophobicContact CG1-SD 4.11Å; V551-M554 PolarHBondContact O-N 2.85Å; R552-M554 PolarHBondContact O-N 3.18Å; M554-R574 PolarHBondContact O-NH2 2.7Å; M554-R582 VanDerWaalsContact CE-NH1 3.28Å; M554-R582 PolarHBondContact SD-NH2 2.89Å; M554-C583 WeakPolarHBondContact O-CA 3.27Å
555D89Confident80Confident8 Ų855.1 Ų55.14%0.04334%0.336CS..THydrogen-bonded Turntrans-90.3-32.9-175.5-62.6-86.5000112.2W550 V551 R582 R584 L585W550-D555 HydrophobicContact CD2-CB 4.47Å; W550-D555 HydrophobicContact CE3-CB 3.68Å; W550-D555 HydrophobicContact CZ3-CB 4.14Å; V551-D555 PolarHBondContact N-OD2 3.08Å; V551-D555 PolarHBondContact O-N 3.25Å; D555-R582 WeakPolarHBondContact CA-O 3.33Å; D555-R582 WeakPolarHBondContact OD1-CG 3.42Å; D555-R582 IonicContact OD1-NE 3.92Å; D555-R582 PolarHBondContact OD1-NE 2.94Å; D555-R582 IonicContact OD2-CZ 2.68Å; D555-R582 IonicContact OD2-NE 2.73Å; D555-R582 PolarHBondContact OD2-NE 3.22Å; D555-R582 VanDerWaalsContact OD2-NE 3.09Å; D555-R582 IonicContact OD2-NH2 2.85Å; D555-R582 PolarHBondContact OD2-NH2 2.81Å; D555-R584 PolarHBondContact O-N 3.17Å; D555-R584 IonicContact OD1-CZ 3.76Å; D555-R584 IonicContact OD1-NE 3.75Å; D555-R584 IonicContact OD1-NH2 2.84Å; D555-R584 PolarHBondContact OD1-NH2 3.11Å; D555-L585 PolarHBondContact O-N 3.04Å
556Y93.1Very high81.7Confident0 Ų061 Ų610%036%0.363CS..EExtended strand (participates in β ladder)trans-136.8153.5173.975.2-89.8000113E533 L536 E537 W550 R552 G553 L585 L587E533-Y556 HydrophobicContact CG-CE2 3.74Å; E533-Y556 WeakPolarHBondContact OE1-CE2 3.39Å; L536-Y556 HydrophobicContact CB-CE1 4.29Å; L536-Y556 HydrophobicContact CD1-CD1 4.1Å; L536-Y556 HydrophobicContact CD1-CD2 4.4Å; L536-Y556 HydrophobicContact CD1-CE1 4.18Å; L536-Y556 HydrophobicContact CD1-CG 4.19Å; E537-Y556 PolarHBondContact OE1-OH 3.41Å; E537-Y556 VanDerWaalsContact OE1-OH 3.09Å; W550-Y556 HydrophobicContact CB-CD1 4.45Å; W550-Y556 HydrophobicContact CE3-CD1 4.24Å; R552-Y556 HydrophobicContact CB-CE1 3.98Å; R552-Y556 HydrophobicContact CB-CE2 3.95Å; R552-Y556 HydrophobicContact CG-CD2 4.47Å; R552-Y556 HydrophobicContact CG-CE2 3.74Å; G553-Y556 PolarHBondContact N-O 2.61Å; Y556-L585 CarbonylContact C-O 3.45Å; Y556-L585 WeakPolarHBondContact CA-O 3.41Å; Y556-L587 HydrophobicContact CD2-CD1 4.3Å; Y556-L587 HydrophobicContact CE2-CD1 4.45Å
557L94.4Very high83.5Confident16 Ų1657.2 Ų57.28%0.08434%0.337CS..EExtended strand (participates in β ladder)trans-122.9159.8177.1-62.2178000110.2I571 C583 L585 L586 L587L557-I571 HydrophobicContact CB-CG2 4.32Å; L557-I571 HydrophobicContact CD1-CG2 4.04Å; L557-C583 VanDerWaalsContact CD1-SG 3.55Å; L557-L585 PolarHBondContact N-O 2.82Å; L557-L586 HydrophobicContact CB-CD1 3.59Å; L557-L587 PolarHBondContact O-N 2.91Å
558R94Very high85.2Confident33 Ų3355.4 Ų55.413%0.12532%0.321CS..EExtended strand (participates in β ladder)trans-130.8138.1178.2173172.3165.4154.93.6110.9N530 E533 D560 I571 L587N530-R558 PolarHBondContact OD1-NH1 3.37Å; N530-R558 PolarHBondContact OD1-NH2 2.91Å; E533-R558 VanDerWaalsContact OE1-CD 3.23Å; E533-R558 WeakPolarHBondContact OE1-CD 3.47Å; E533-R558 WeakPolarHBondContact OE2-CD 3.45Å; E533-R558 IonicContact OE2-CZ 3.45Å; E533-R558 IonicContact OE2-NE 3.3Å; E533-R558 IonicContact OE2-NH1 3.42Å; E533-R558 PolarHBondContact OE2-NH1 3.26Å; R558-D560 IonicContact CZ-OD2 2.72Å; R558-D560 IonicContact NE-OD2 3.68Å; R558-D560 PolarHBondContact NE-OD2 3.02Å; R558-D560 IonicContact NH2-OD2 2.92Å; R558-D560 PolarHBondContact NH2-OD2 3.01Å; R558-I571 WeakPolarHBondContact O-CD1 3.33Å; R558-L587 CarbonylContact C-O 3.57Å; R558-L587 VanDerWaalsContact CA-O 3.32Å; R558-L587 WeakPolarHBondContact CA-O 3.49Å; R558-L587 HydrophobicContact CB-CB 4.49Å
559L92.2Very high86.5Confident0 Ų059.6 Ų59.60%032%0.324CS..EExtended strand (participates in β ladder)trans-137.9116.4179.2-165.6148.7000111.2R568 I571 L586 L587 V588 S589 A592 I597L559-R568 HydrophobicContact CD1-CB 4.14Å; L559-R568 HydrophobicContact CD1-CG 4.03Å; L559-R568 HydrophobicContact CD2-CG 4.47Å; L559-R568 HydrophobicContact CG-CG 4.21Å; L559-I571 HydrophobicContact CD1-CB 4.47Å; L559-I571 HydrophobicContact CD1-CG2 4.05Å; L559-L586 HydrophobicContact CB-CD1 4.43Å; L559-L587 PolarHBondContact N-O 3.36Å; L559-V588 HydrophobicContact CB-CG1 4.46Å; L559-V588 HydrophobicContact CB-CG2 4.46Å; L559-V588 HydrophobicContact CD2-CG1 4.1Å; L559-V588 WeakPolarHBondContact O-CA 3.3Å; L559-S589 PolarHBondContact O-N 2.67Å; L559-A592 HydrophobicContact CD2-CB 3.73Å; L559-I597 HydrophobicContact CD1-CD1 3.47Å; L559-I597 VanDerWaalsContact CD1-CD1 3.47Å; L559-I597 HydrophobicContact CD2-CD1 3.89Å; L559-I597 HydrophobicContact CG-CD1 4.32Å
560D91.4Very high87.6Confident9 Ų959.4 Ų59.45%0.04832%0.323CS..  trans-142-172.7-17659.222.3000112.5L526 R558 S562 T563 R568L526-D560 HydrophobicContact CD2-CB 4.03Å; R558-D560 IonicContact CZ-OD2 2.72Å; R558-D560 IonicContact NE-OD2 3.68Å; R558-D560 PolarHBondContact NE-OD2 3.02Å; R558-D560 IonicContact NH2-OD2 2.92Å; R558-D560 PolarHBondContact NH2-OD2 3.01Å; D560-S562 VanDerWaalsContact C-N 3.31Å; D560-S562 PolarHBondContact O-N 3.44Å; D560-S562 PolarHBondContact OD1-N 2.97Å; D560-S562 PolarHBondContact OD1-OG 2.68Å; D560-T563 PolarHBondContact N-OG1 2.97Å; D560-T563 VanDerWaalsContact N-OG1 3.11Å; D560-T563 WeakPolarHBondContact O-CB 3.27Å; D560-T563 PolarHBondContact O-N 3.1Å; D560-T563 PolarHBondContact O-OG1 3.3Å; D560-T563 PolarHBondContact OD1-N 2.89Å; D560-T563 PolarHBondContact OD1-OG1 3.42Å; D560-R568 PolarHBondContact O-NH2 2.84Å
561G85Confident88Confident58 Ų5859.9 Ų59.960%0.59833%0.326SS*.THydrogen-bonded Turntrans-59.2-38.7-176.400000113.7T563 R568G561-T563 VanDerWaalsContact C-N 3.3Å; G561-T563 PolarHBondContact O-N 3.24Å; G561-R568 PolarHBondContact O-NH2 3.39Å
562S87.2Confident88.2Confident97 Ų9758 Ų5868%0.67832%0.316SS*.THydrogen-bonded Turntrans-71.7-18.2178.831.30000114.3D560 P564D560-S562 VanDerWaalsContact C-N 3.31Å; D560-S562 PolarHBondContact O-N 3.44Å; D560-S562 PolarHBondContact OD1-N 2.97Å; D560-S562 PolarHBondContact OD1-OG 2.68Å; S562-P564 VanDerWaalsContact O-CD 3.29Å; S562-P564 WeakPolarHBondContact O-CD 3.19Å
563T86.7Confident88.3Confident18 Ų1857.1 Ų57.111%0.1132%0.32CS..SBendtrans-67.5121.3-177.7-53.60000110.5D560 G561 V567 R568 I571D560-T563 PolarHBondContact N-OG1 2.97Å; D560-T563 VanDerWaalsContact N-OG1 3.11Å; D560-T563 WeakPolarHBondContact O-CB 3.27Å; D560-T563 PolarHBondContact O-N 3.1Å; D560-T563 PolarHBondContact O-OG1 3.3Å; D560-T563 PolarHBondContact OD1-N 2.89Å; D560-T563 PolarHBondContact OD1-OG1 3.42Å; G561-T563 VanDerWaalsContact C-N 3.3Å; G561-T563 PolarHBondContact O-N 3.24Å; T563-V567 HydrophobicContact CG2-CB 3.99Å; T563-V567 HydrophobicContact CG2-CG1 3.81Å; T563-R568 HydrophobicContact CG2-CG 3.68Å; T563-R568 PolarHBondContact O-NE 2.89Å; T563-R568 PolarHBondContact O-NH2 3.45Å; T563-R568 VanDerWaalsContact O-NH2 3.1Å; T563-I571 HydrophobicContact CG2-CD1 4.06Å
564P84.6Confident88.7Confident80 Ų8059.8 Ų59.852%0.51932%0.319SS..  trans-66.2152.5179.2-22.934.5000113.4S562 E566 V567 R568S562-P564 VanDerWaalsContact O-CD 3.29Å; S562-P564 WeakPolarHBondContact O-CD 3.19Å; P564-E566 VanDerWaalsContact C-N 3.32Å; P564-E566 PolarHBondContact O-N 2.87Å; P564-V567 HydrophobicContact CB-CG2 4.2Å; P564-V567 HydrophobicContact CG-CG2 4.21Å; P564-V567 WeakPolarHBondContact O-CA 3.13Å; P564-V567 WeakPolarHBondContact O-CB 3.36Å; P564-V567 PolarHBondContact O-N 3.22Å; P564-R568 WeakPolarHBondContact O-CG 3.3Å; P564-R568 PolarHBondContact O-N 2.7Å
565A78.7Confident89Confident70 Ų7056 Ų5658%0.57930%0.301SS*.Hα-helixtrans-56.6-39.4-174.100000114.2R568 K569A565-R568 WeakPolarHBondContact O-CB 3.2Å; A565-R568 PolarHBondContact O-N 3.45Å; A565-K569 PolarHBondContact O-N 2.78Å; A565-K569 VanDerWaalsContact O-N 3.12Å
566E81.9Confident89.2Confident156 Ų15657.4 Ų57.473%0.72931%0.308SS*.Hα-helixtrans-65.8-39176.2-63.2174.2-174.600112.4P564 K569 R570P564-E566 VanDerWaalsContact C-N 3.32Å; P564-E566 PolarHBondContact O-N 2.87Å; E566-K569 PolarHBondContact O-N 2.72Å; E566-R570 PolarHBondContact O-N 3.44Å; E566-R570 VanDerWaalsContact O-N 3.15Å
567V88.1Confident89.1Confident46 Ų4660.6 Ų60.628%0.27933%0.325SS..Hα-helixtrans-67.6-41.7176.3-178.20000110T563 P564 K569 R570 I571T563-V567 HydrophobicContact CG2-CB 3.99Å; T563-V567 HydrophobicContact CG2-CG1 3.81Å; P564-V567 HydrophobicContact CB-CG2 4.2Å; P564-V567 HydrophobicContact CG-CG2 4.21Å; P564-V567 WeakPolarHBondContact O-CA 3.13Å; P564-V567 WeakPolarHBondContact O-CB 3.36Å; P564-V567 PolarHBondContact O-N 3.22Å; V567-K569 VanDerWaalsContact C-N 3.31Å; V567-K569 PolarHBondContact O-N 3.1Å; V567-R570 PolarHBondContact O-N 2.84Å; V567-R570 VanDerWaalsContact O-N 3.16Å; V567-I571 HydrophobicContact CG1-CD1 3.85Å; V567-I571 HydrophobicContact CG1-CG1 4.34Å; V567-I571 WeakPolarHBondContact O-CG1 3.33Å; V567-I571 PolarHBondContact O-N 2.79Å
568R87.6Confident88.8Confident37 Ų3765 Ų6514%0.1435%0.353CS..Hα-helixtrans-55.7-44.1173.7-66-178.6-165.4-150.73.6112L559 D560 G561 T563 P564 A565 I571 A572 I597L559-R568 HydrophobicContact CD1-CB 4.14Å; L559-R568 HydrophobicContact CD1-CG 4.03Å; L559-R568 HydrophobicContact CD2-CG 4.47Å; L559-R568 HydrophobicContact CG-CG 4.21Å; D560-R568 PolarHBondContact O-NH2 2.84Å; G561-R568 PolarHBondContact O-NH2 3.39Å; T563-R568 HydrophobicContact CG2-CG 3.68Å; T563-R568 PolarHBondContact O-NE 2.89Å; T563-R568 PolarHBondContact O-NH2 3.45Å; T563-R568 VanDerWaalsContact O-NH2 3.1Å; P564-R568 WeakPolarHBondContact O-CG 3.3Å; P564-R568 PolarHBondContact O-N 2.7Å; A565-R568 WeakPolarHBondContact O-CB 3.2Å; A565-R568 PolarHBondContact O-N 3.45Å; R568-I571 PolarHBondContact O-N 2.92Å; R568-A572 WeakPolarHBondContact O-CB 3.44Å; R568-A572 PolarHBondContact O-N 3.39Å; R568-I597 HydrophobicContact CB-CD1 3.83Å; R568-I597 HydrophobicContact CG-CD1 4.21Å
569K84.8Confident88.5Confident145 Ų14569.7 Ų69.763%0.6338%0.381SS*.Hα-helixtrans-63.2-43.1176.8-172.2175.6178.8-179.70111.9A565 E566 V567 A572 L573A565-K569 PolarHBondContact O-N 2.78Å; A565-K569 VanDerWaalsContact O-N 3.12Å; E566-K569 PolarHBondContact O-N 2.72Å; V567-K569 VanDerWaalsContact C-N 3.31Å; V567-K569 PolarHBondContact O-N 3.1Å; K569-A572 PolarHBondContact O-N 3.09Å; K569-L573 HydrophobicContact CG-CD1 4.22Å; K569-L573 WeakPolarHBondContact O-CG 3.45Å; K569-L573 PolarHBondContact O-N 3.26Å
570R90.3Very high88.2Confident169 Ų16971 Ų7164%0.63839%0.388SS*.Hα-helixtrans-64.6-43.6176.5-71.7-170.7-72.5174.2-4112.8E566 V567 A572 L573 R574E566-R570 PolarHBondContact O-N 3.44Å; E566-R570 VanDerWaalsContact O-N 3.15Å; V567-R570 PolarHBondContact O-N 2.84Å; V567-R570 VanDerWaalsContact O-N 3.16Å; R570-A572 VanDerWaalsContact C-N 3.34Å; R570-A572 PolarHBondContact O-N 3.46Å; R570-L573 PolarHBondContact O-N 3.39Å; R570-R574 PolarHBondContact O-N 2.86Å; R570-R574 VanDerWaalsContact O-N 3.12Å
571I91.8Very high87.8Confident22 Ų2277.1 Ų77.111%0.11342%0.42CS..Hα-helixtrans-58.4-47.4174.6-72.4169.1000110.5L557 R558 L559 T563 V567 R568 R574 F575 L586L557-I571 HydrophobicContact CB-CG2 4.32Å; L557-I571 HydrophobicContact CD1-CG2 4.04Å; R558-I571 WeakPolarHBondContact O-CD1 3.33Å; L559-I571 HydrophobicContact CD1-CB 4.47Å; L559-I571 HydrophobicContact CD1-CG2 4.05Å; T563-I571 HydrophobicContact CG2-CD1 4.06Å; V567-I571 HydrophobicContact CG1-CD1 3.85Å; V567-I571 HydrophobicContact CG1-CG1 4.34Å; V567-I571 WeakPolarHBondContact O-CG1 3.33Å; V567-I571 PolarHBondContact O-N 2.79Å; R568-I571 PolarHBondContact O-N 2.92Å; I571-R574 PolarHBondContact O-N 3.45Å; I571-F575 WeakPolarHBondContact O-CB 3.22Å; I571-F575 PolarHBondContact O-N 2.98Å; I571-L586 HydrophobicContact CG2-CD1 3.71Å
572A90.1Very high87.9Confident9 Ų979.4 Ų79.47%0.07441%0.41CS..Hα-helixtrans-63-46-179.600000112.7R568 K569 R570 R574 F575 N576 I597 L599R568-A572 WeakPolarHBondContact O-CB 3.44Å; R568-A572 PolarHBondContact O-N 3.39Å; K569-A572 PolarHBondContact O-N 3.09Å; R570-A572 VanDerWaalsContact C-N 3.34Å; R570-A572 PolarHBondContact O-N 3.46Å; A572-R574 PolarHBondContact O-N 3.23Å; A572-F575 PolarHBondContact O-N 3.5Å; A572-N576 VanDerWaalsContact O-CB 3.27Å; A572-N576 WeakPolarHBondContact O-CB 3.45Å; A572-N576 PolarHBondContact O-N 3.2Å; A572-N576 PolarHBondContact O-ND2 3.37Å; A572-N576 VanDerWaalsContact O-ND2 3.08Å; A572-I597 HydrophobicContact CB-CG2 3.36Å; A572-L599 HydrophobicContact CB-CD2 4.31Å
573L91.2Very high88.1Confident113 Ų11374.8 Ų74.859%0.59238%0.378SS*.Hα-helixtrans-58.8-46.8177.8-74.4169.1000111.5K569 R570 N576 D577K569-L573 HydrophobicContact CG-CD1 4.22Å; K569-L573 WeakPolarHBondContact O-CG 3.45Å; K569-L573 PolarHBondContact O-N 3.26Å; R570-L573 PolarHBondContact O-N 3.39Å; L573-N576 PolarHBondContact O-N 3.25Å; L573-D577 PolarHBondContact O-N 3.02Å; L573-D577 VanDerWaalsContact O-N 3.17Å
574R93.4Very high88.3Confident91 Ų9175.4 Ų75.434%0.34338%0.378SS..Hα-helixtrans-67.8-41.9178.9-177173.4176.7-163-8.2113.1G553 M554 R570 I571 A572 N576 D577 D580G553-R574 PolarHBondContact O-NH1 3.46Å; M554-R574 PolarHBondContact O-NH2 2.7Å; R570-R574 PolarHBondContact O-N 2.86Å; R570-R574 VanDerWaalsContact O-N 3.12Å; I571-R574 PolarHBondContact O-N 3.45Å; A572-R574 PolarHBondContact O-N 3.23Å; R574-N576 VanDerWaalsContact C-N 3.28Å; R574-N576 PolarHBondContact O-N 3.44Å; R574-D577 WeakPolarHBondContact O-CB 3.38Å; R574-D577 PolarHBondContact O-N 2.94Å; R574-D580 IonicContact CZ-OD2 3Å; R574-D580 IonicContact NE-OD2 2.74Å; R574-D580 PolarHBondContact NE-OD2 2.96Å; R574-D580 IonicContact NH2-OD2 2.71Å; R574-D580 PolarHBondContact NH2-OD2 3.41Å
575F93.5Very high88.7Confident0 Ų071.8 Ų71.80%036%0.355CS..Hα-helixtrans-65.7-35.3178.5-171.9-113.4000111.7K518 L520 I571 A572 D577 L586 L599K518-F575 HydrophobicContact CB-CE2 4.03Å; K518-F575 HydrophobicContact CB-CZ 4.01Å; K518-F575 HydrophobicContact CD-CD2 4.29Å; K518-F575 HydrophobicContact CD-CE2 4.13Å; K518-F575 WeakPolarHBondContact CD-O 3.36Å; K518-F575 PolarHBondContact NZ-O 3.27Å; L520-F575 HydrophobicContact CB-CZ 4.43Å; L520-F575 HydrophobicContact CD1-CE1 4.22Å; I571-F575 WeakPolarHBondContact O-CB 3.22Å; I571-F575 PolarHBondContact O-N 2.98Å; A572-F575 PolarHBondContact O-N 3.5Å; F575-D577 VanDerWaalsContact C-N 3.33Å; F575-D577 PolarHBondContact O-N 2.95Å; F575-L586 HydrophobicContact CD1-CB 4.22Å; F575-L586 HydrophobicContact CD1-CD2 3.73Å; F575-L586 HydrophobicContact CD2-CB 3.79Å; F575-L586 HydrophobicContact CE1-CB 3.92Å; F575-L586 HydrophobicContact CE1-CD2 3.92Å; F575-L586 HydrophobicContact CE2-CB 3.48Å; F575-L586 VanDerWaalsContact CE2-CB 3.48Å; F575-L586 HydrophobicContact CG-CB 4.14Å; F575-L586 HydrophobicContact CG-CD2 4.04Å; F575-L586 HydrophobicContact CZ-CB 3.53Å; F575-L586 HydrophobicContact CZ-CD2 4.41Å; F575-L599 HydrophobicContact CD1-CD2 4.31Å
576N92.8Very high89.5Confident37 Ų3768.5 Ų68.520%0.19833%0.327CS..Hα-helixtrans-75.2-13.6175.6-66.6-25.9000114.6A572 L573 R574 T578 N598 L599 I600 G601A572-N576 VanDerWaalsContact O-CB 3.27Å; A572-N576 WeakPolarHBondContact O-CB 3.45Å; A572-N576 PolarHBondContact O-N 3.2Å; A572-N576 PolarHBondContact O-ND2 3.37Å; A572-N576 VanDerWaalsContact O-ND2 3.08Å; L573-N576 PolarHBondContact O-N 3.25Å; R574-N576 VanDerWaalsContact C-N 3.28Å; R574-N576 PolarHBondContact O-N 3.44Å; N576-T578 PolarHBondContact O-N 3.1Å; N576-N598 PolarHBondContact ND2-O 3.39Å; N576-L599 VanDerWaalsContact OD1-C 3.31Å; N576-L599 WeakPolarHBondContact OD1-CA 3.5Å; N576-I600 HydrophobicContact CB-CG1 4.48Å; N576-I600 PolarHBondContact OD1-N 3.47Å; N576-G601 PolarHBondContact OD1-N 2.99Å
577D91.9Very high90.2Very high66 Ų6661 Ų6135%0.35329%0.292SS..  trans-69.2113.7176.2-175.10.7000110.3K518 L573 R574 F575 N579 D580K518-D577 PolarHBondContact NZ-O 3.21Å; L573-D577 PolarHBondContact O-N 3.02Å; L573-D577 VanDerWaalsContact O-N 3.17Å; R574-D577 WeakPolarHBondContact O-CB 3.38Å; R574-D577 PolarHBondContact O-N 2.94Å; F575-D577 VanDerWaalsContact C-N 3.33Å; F575-D577 PolarHBondContact O-N 2.95Å; D577-N579 PolarHBondContact O-N 2.92Å; D577-N579 WeakPolarHBondContact OD1-CB 3.38Å; D577-N579 PolarHBondContact OD1-N 3.23Å; D577-N579 PolarHBondContact OD1-ND2 2.95Å; D577-D580 HydrophobicContact CB-CB 4.45Å; D577-D580 PolarHBondContact O-N 2.79Å
578T87.2Confident90.5Very high110 Ų11058.9 Ų58.968%0.67528%0.279SS*.THydrogen-bonded Turntrans-68.3-16.5178.950.80000113.1N576N576-T578 PolarHBondContact O-N 3.1Å
579N87.7Confident90.7Very high130 Ų13057.7 Ų57.770%0.69528%0.276SS*.THydrogen-bonded Turntrans-85.8-24.1179.3-49.7-70.6000112.4D577 L581D577-N579 PolarHBondContact O-N 2.92Å; D577-N579 WeakPolarHBondContact OD1-CB 3.38Å; D577-N579 PolarHBondContact OD1-N 3.23Å; D577-N579 PolarHBondContact OD1-ND2 2.95Å; N579-L581 VanDerWaalsContact C-N 3.27Å; N579-L581 PolarHBondContact O-N 2.8Å
580D86.7Confident90.9Very high28 Ų2850.8 Ų50.815%0.1525%0.247CC..  trans-77.279.8172.3-170.1-11.6000110.1K518 R574 D577 R582 C583K518-D580 VanDerWaalsContact CE-O 3.29Å; K518-D580 WeakPolarHBondContact CE-O 3.4Å; K518-D580 PolarHBondContact NZ-O 3.08Å; R574-D580 IonicContact CZ-OD2 3Å; R574-D580 IonicContact NE-OD2 2.74Å; R574-D580 PolarHBondContact NE-OD2 2.96Å; R574-D580 IonicContact NH2-OD2 2.71Å; R574-D580 PolarHBondContact NH2-OD2 3.41Å; D577-D580 HydrophobicContact CB-CB 4.45Å; D577-D580 PolarHBondContact O-N 2.79Å; D580-R582 PolarHBondContact O-N 3.35Å; D580-R582 WeakPolarHBondContact OD1-CB 3.19Å; D580-R582 PolarHBondContact OD1-N 3.11Å; D580-R582 VanDerWaalsContact OD1-N 3.07Å; D580-C583 HydrophobicContact CB-CB 4.35Å; D580-C583 VanDerWaalsContact CG-CB 3.48Å; D580-C583 PolarHBondContact OD1-N 3.45Å; D580-C583 WeakPolarHBondContact OD2-CB 3.4Å
581L82.7Confident90.7Very high138 Ų13849.7 Ų49.772%0.72324%0.242SC*.SBendtrans-67.6-15.2173-61.8179.5000113.1N579 R584N579-L581 VanDerWaalsContact C-N 3.27Å; N579-L581 PolarHBondContact O-N 2.8Å; L581-R584 WeakPolarHBondContact O-CG 3.47Å
582R87.3Confident90.4Very high105 Ų10548.7 Ų48.740%0.39624%0.237SC..SBendtrans-79.8-40.6179-172.6171.4-179.6174.3-6.9111.1M554 D555 D580 R584M554-R582 VanDerWaalsContact CE-NH1 3.28Å; M554-R582 PolarHBondContact SD-NH2 2.89Å; D555-R582 WeakPolarHBondContact CA-O 3.33Å; D555-R582 WeakPolarHBondContact OD1-CG 3.42Å; D555-R582 IonicContact OD1-NE 3.92Å; D555-R582 PolarHBondContact OD1-NE 2.94Å; D555-R582 IonicContact OD2-CZ 2.68Å; D555-R582 IonicContact OD2-NE 2.73Å; D555-R582 PolarHBondContact OD2-NE 3.22Å; D555-R582 VanDerWaalsContact OD2-NE 3.09Å; D555-R582 IonicContact OD2-NH2 2.85Å; D555-R582 PolarHBondContact OD2-NH2 2.81Å; D580-R582 PolarHBondContact O-N 3.35Å; D580-R582 WeakPolarHBondContact OD1-CB 3.19Å; D580-R582 PolarHBondContact OD1-N 3.11Å; D580-R582 VanDerWaalsContact OD1-N 3.07Å; R582-R584 WeakPolarHBondContact O-CG 3.5Å; R582-R584 PolarHBondContact O-N 3.18Å; R582-R584 PolarHBondContact O-NE 3.24Å
583C90.1Very high89.9Confident0 Ų048.2 Ų48.20%023%0.234CC..  trans-7287.6177.1-169.10000110.8K518 M554 L557 D580K518-C583 VanDerWaalsContact CD-O 3.24Å; K518-C583 WeakPolarHBondContact CD-O 3.47Å; K518-C583 VanDerWaalsContact CE-O 3.28Å; K518-C583 WeakPolarHBondContact CE-O 3.46Å; M554-C583 WeakPolarHBondContact O-CA 3.27Å; L557-C583 VanDerWaalsContact CD1-SG 3.55Å; D580-C583 HydrophobicContact CB-CB 4.35Å; D580-C583 VanDerWaalsContact CG-CB 3.48Å; D580-C583 PolarHBondContact OD1-N 3.45Å; D580-C583 WeakPolarHBondContact OD2-CB 3.4Å
584R90.9Very high89.2Confident32 Ų3243.5 Ų43.512%0.12121%0.21CC..  trans-97-24.4-171.2-71.6170.9-70.2161.8-4.6114.1K518 L519 T547 W550 D555 L581 R582K518-R584 CarbonylContact C-O 3.53Å; K518-R584 WeakPolarHBondContact CA-O 3.41Å; L519-R584 PolarHBondContact N-O 3.26Å; T547-R584 PolarHBondContact OG1-NH1 3.06Å; T547-R584 VanDerWaalsContact OG1-NH1 3.12Å; W550-R584 HydrophobicContact CH2-CB 3.99Å; W550-R584 HydrophobicContact CZ3-CB 4.12Å; D555-R584 PolarHBondContact O-N 3.17Å; D555-R584 IonicContact OD1-CZ 3.76Å; D555-R584 IonicContact OD1-NE 3.75Å; D555-R584 IonicContact OD1-NH2 2.84Å; D555-R584 PolarHBondContact OD1-NH2 3.11Å; L581-R584 WeakPolarHBondContact O-CG 3.47Å; R582-R584 WeakPolarHBondContact O-CG 3.5Å; R582-R584 PolarHBondContact O-N 3.18Å; R582-R584 PolarHBondContact O-NE 3.24Å
585L94.3Very high88.2Confident4 Ų442.5 Ų42.52%0.02121%0.211CC..EExtended strand (participates in β ladder)trans-133.7134.9-171.2174.963.2000112.6L509 L519 V521 L536 W550 D555 Y556 L557 L587L509-L585 HydrophobicContact CD1-CB 4.31Å; L509-L585 HydrophobicContact CD1-CD1 4.31Å; L509-L585 HydrophobicContact CD1-CD2 4.21Å; L509-L585 HydrophobicContact CD2-CD2 4.4Å; L519-L585 HydrophobicContact CB-CD1 4.14Å; L519-L585 HydrophobicContact CD2-CD1 4.18Å; L519-L585 HydrophobicContact CG-CD1 4.19Å; L519-L585 CarbonylContact O-C 3.49Å; L519-L585 VanDerWaalsContact O-CA 3.31Å; L519-L585 WeakPolarHBondContact O-CA 3.34Å; V521-L585 HydrophobicContact CG2-CD1 3.68Å; L536-L585 HydrophobicContact CD1-CD2 3.67Å; L536-L585 HydrophobicContact CD2-CD2 4.28Å; W550-L585 HydrophobicContact CH2-CB 4.48Å; W550-L585 HydrophobicContact CZ3-CB 3.94Å; W550-L585 HydrophobicContact CZ3-CD2 4.43Å; D555-L585 PolarHBondContact O-N 3.04Å; Y556-L585 CarbonylContact C-O 3.45Å; Y556-L585 WeakPolarHBondContact CA-O 3.41Å; L557-L585 PolarHBondContact N-O 2.82Å; L585-L587 HydrophobicContact CD1-CD2 4.04Å; L585-L587 HydrophobicContact CD2-CD2 4.06Å; L585-L587 HydrophobicContact CD2-CG 4.5Å; L585-L587 HydrophobicContact CG-CD2 4.09Å; L585-L587 HydrophobicContact CG-CG 4.44Å
586L95.4Very high86.9Confident0 Ų043.3 Ų43.30%022%0.22CC..EExtended strand (participates in β ladder)trans-123.3116.9168.3-179.567.4000110.7L519 L520 V521 L557 L559 I571 F575 V588 L599L519-L586 PolarHBondContact O-N 2.64Å; L520-L586 WeakPolarHBondContact CA-O 3.47Å; L520-L586 HydrophobicContact CD1-CD2 4.16Å; V521-L586 PolarHBondContact N-O 3.33Å; L557-L586 HydrophobicContact CB-CD1 3.59Å; L559-L586 HydrophobicContact CB-CD1 4.43Å; I571-L586 HydrophobicContact CG2-CD1 3.71Å; F575-L586 HydrophobicContact CD1-CB 4.22Å; F575-L586 HydrophobicContact CD1-CD2 3.73Å; F575-L586 HydrophobicContact CD2-CB 3.79Å; F575-L586 HydrophobicContact CE1-CB 3.92Å; F575-L586 HydrophobicContact CE1-CD2 3.92Å; F575-L586 HydrophobicContact CE2-CB 3.48Å; F575-L586 VanDerWaalsContact CE2-CB 3.48Å; F575-L586 HydrophobicContact CG-CB 4.14Å; F575-L586 HydrophobicContact CG-CD2 4.04Å; F575-L586 HydrophobicContact CZ-CB 3.53Å; F575-L586 HydrophobicContact CZ-CD2 4.41Å; L586-V588 HydrophobicContact CD1-CG2 4.37Å; L586-V588 HydrophobicContact CD2-CG2 3.72Å; L586-V588 HydrophobicContact CG-CG2 3.55Å; L586-L599 HydrophobicContact CD2-CD1 4.07Å; L586-L599 HydrophobicContact CD2-CD2 3.69Å; L586-L599 HydrophobicContact CD2-CG 4.47Å
587L95.7Very high86.3Confident0 Ų042.5 Ų42.50%022%0.215CC..EExtended strand (participates in β ladder)trans-88122.1173-59.3-176.1000109.4V521 L529 I532 E533 Y556 L557 R558 L559 L585V521-L587 HydrophobicContact CB-CD2 3.88Å; V521-L587 HydrophobicContact CG1-CD2 4.46Å; V521-L587 HydrophobicContact CG2-CD2 4.22Å; L529-L587 HydrophobicContact CD2-CB 4.29Å; I532-L587 HydrophobicContact CG2-CD1 4.07Å; I532-L587 HydrophobicContact CG2-CD2 3.92Å; E533-L587 HydrophobicContact CG-CD1 3.59Å; Y556-L587 HydrophobicContact CD2-CD1 4.3Å; Y556-L587 HydrophobicContact CE2-CD1 4.45Å; L557-L587 PolarHBondContact O-N 2.91Å; R558-L587 CarbonylContact C-O 3.57Å; R558-L587 VanDerWaalsContact CA-O 3.32Å; R558-L587 WeakPolarHBondContact CA-O 3.49Å; R558-L587 HydrophobicContact CB-CB 4.49Å; L559-L587 PolarHBondContact N-O 3.36Å; L585-L587 HydrophobicContact CD1-CD2 4.04Å; L585-L587 HydrophobicContact CD2-CD2 4.06Å; L585-L587 HydrophobicContact CD2-CG 4.5Å; L585-L587 HydrophobicContact CG-CD2 4.09Å; L585-L587 HydrophobicContact CG-CG 4.44Å
588V94.4Very high86Confident0 Ų042.6 Ų42.60%022%0.216CC..EExtended strand (participates in β ladder)trans-131.1131.4-175.5-168.90000110.8L520 V521 F522 S523 L559 L586L520-V588 HydrophobicContact CD1-CG2 4.43Å; L520-V588 HydrophobicContact CD2-CG2 4.3Å; L520-V588 HydrophobicContact CG-CG2 4.22Å; V521-V588 PolarHBondContact O-N 3.2Å; F522-V588 WeakPolarHBondContact CA-O 3.27Å; F522-V588 HydrophobicContact CD1-CB 3.71Å; F522-V588 HydrophobicContact CD1-CG1 4.01Å; F522-V588 HydrophobicContact CE1-CB 3.7Å; F522-V588 HydrophobicContact CE1-CG1 3.69Å; F522-V588 HydrophobicContact CE1-CG2 4.28Å; S523-V588 PolarHBondContact N-O 3.08Å; L559-V588 HydrophobicContact CB-CG1 4.46Å; L559-V588 HydrophobicContact CB-CG2 4.46Å; L559-V588 HydrophobicContact CD2-CG1 4.1Å; L559-V588 WeakPolarHBondContact O-CA 3.3Å; L586-V588 HydrophobicContact CD1-CG2 4.37Å; L586-V588 HydrophobicContact CD2-CG2 3.72Å; L586-V588 HydrophobicContact CG-CG2 3.55Å
589S93.1Very high86.1Confident12 Ų1237.3 Ų37.38%0.08418%0.184CC..EExtended strand (participates in β ladder)trans-73.9133.5166.979.90000109.9S523 L559 R591 A592 G593S523-S589 CarbonylContact O-C 3.53Å; S523-S589 VanDerWaalsContact O-CA 3.26Å; S523-S589 WeakPolarHBondContact O-CA 3.28Å; L559-S589 PolarHBondContact O-N 2.67Å; S589-R591 PolarHBondContact O-N 2.82Å; S589-R591 VanDerWaalsContact O-N 3.11Å; S589-A592 WeakPolarHBondContact O-CA 3.46Å; S589-A592 WeakPolarHBondContact O-CB 3.46Å; S589-A592 PolarHBondContact O-N 3.4Å; S589-A592 VanDerWaalsContact OG-CB 3.26Å; S589-A592 WeakPolarHBondContact OG-CB 3.44Å; S589-G593 PolarHBondContact O-N 3.11Å
590I89.3Confident86.2Confident1 Ų133.3 Ų33.31%0.00516%0.162CC..Hα-helixtrans-50.4-44.4-172.9-73.5165.7000111.7F522 S523 Q524 A592 G593 S594 H616 E617F522-I590 HydrophobicContact CB-CD1 4.48Å; F522-I590 HydrophobicContact CB-CG1 3.77Å; F522-I590 HydrophobicContact CD1-CG1 4.48Å; F522-I590 HydrophobicContact CG-CG1 4.39Å; S523-I590 PolarHBondContact O-N 2.67Å; Q524-I590 HydrophobicContact CB-CD1 4.17Å; I590-A592 VanDerWaalsContact C-N 3.33Å; I590-A592 PolarHBondContact O-N 3.43Å; I590-G593 PolarHBondContact O-N 3.47Å; I590-S594 PolarHBondContact O-N 3.29Å; I590-S594 VanDerWaalsContact O-N 3.08Å; I590-H616 HydrophobicContact CG2-CB 3.75Å; I590-E617 HydrophobicContact CD1-CG 4.22Å; I590-E617 HydrophobicContact CG2-CG 4.38Å
591R84.5Confident86.3Confident145 Ų14533 Ų3355%0.54716%0.164SC..Hα-helixtrans-68.5-24.2177.4-65-175.8-178.2174.81.6114.3S589 S594 L595S589-R591 PolarHBondContact O-N 2.82Å; S589-R591 VanDerWaalsContact O-N 3.11Å; R591-S594 PolarHBondContact O-OG 2.98Å; R591-L595 WeakPolarHBondContact O-CD1 3.42Å; R591-L595 WeakPolarHBondContact O-CG 3.38Å
592A85.3Confident86.8Confident1 Ų126.4 Ų26.41%0.00813%0.13CC..Hα-helixtrans-83.5-34.2174.300000111.9L559 S589 I590 L595L559-A592 HydrophobicContact CD2-CB 3.73Å; S589-A592 WeakPolarHBondContact O-CA 3.46Å; S589-A592 WeakPolarHBondContact O-CB 3.46Å; S589-A592 PolarHBondContact O-N 3.4Å; S589-A592 VanDerWaalsContact OG-CB 3.26Å; S589-A592 WeakPolarHBondContact OG-CB 3.44Å; I590-A592 VanDerWaalsContact C-N 3.33Å; I590-A592 PolarHBondContact O-N 3.43Å; A592-L595 PolarHBondContact O-N 2.84Å
593G80.7Confident87Confident0 Ų021.7 Ų21.70%011%0.113CC..Hα-helixtrans-64.2-39.817300000113.2S589 I590 L595 R623S589-G593 PolarHBondContact O-N 3.11Å; I590-G593 PolarHBondContact O-N 3.47Å; G593-L595 PolarHBondContact O-N 3.36Å; G593-L595 VanDerWaalsContact O-N 3.17Å; G593-R623 VanDerWaalsContact O-CG 3.3Å; G593-R623 WeakPolarHBondContact O-CG 3.45Å
594S76.9Confident87.2Confident14 Ų1423.1 Ų23.110%0.09812%0.118CC..THydrogen-bonded Turntrans-64.2-20.6179.667.80000114.3I590 R591 G596 R623I590-S594 PolarHBondContact O-N 3.29Å; I590-S594 VanDerWaalsContact O-N 3.08Å; R591-S594 PolarHBondContact O-OG 2.98Å; S594-G596 VanDerWaalsContact C-N 3.33Å; S594-G596 PolarHBondContact O-N 3.46Å; S594-R623 PolarHBondContact O-NH2 3.08Å
595L71.3Confident87.5Confident69 Ų6921.7 Ų21.736%0.36111%0.113SC..THydrogen-bonded Turntrans-73.1-4.7-169.1-77.7168.9000117.3R591 A592 G593R591-L595 WeakPolarHBondContact O-CD1 3.42Å; R591-L595 WeakPolarHBondContact O-CG 3.38Å; A592-L595 PolarHBondContact O-N 2.84Å; G593-L595 PolarHBondContact O-N 3.36Å; G593-L595 VanDerWaalsContact O-N 3.17Å
596G67.2Low87.5Confident18 Ų1821.5 Ų21.519%0.18611%0.112CC..THydrogen-bonded Turntrans119.644.4167.500000117.4S594S594-G596 VanDerWaalsContact C-N 3.33Å; S594-G596 PolarHBondContact O-N 3.46Å
597I80.5Confident87.5Confident19 Ų1921.5 Ų21.510%0.09711%0.112CC..  trans-108.2149.5177-55.6174.8000109.4L559 R568 A572 L599 R623L559-I597 HydrophobicContact CD1-CD1 3.47Å; L559-I597 VanDerWaalsContact CD1-CD1 3.47Å; L559-I597 HydrophobicContact CD2-CD1 3.89Å; L559-I597 HydrophobicContact CG-CD1 4.32Å; R568-I597 HydrophobicContact CB-CD1 3.83Å; R568-I597 HydrophobicContact CG-CD1 4.21Å; A572-I597 HydrophobicContact CB-CG2 3.36Å; I597-L599 HydrophobicContact CG2-CD2 3.72Å; I597-L599 HydrophobicContact CG2-CG 4Å; I597-R623 WeakPolarHBondContact O-CB 3.21Å; I597-R623 VanDerWaalsContact O-CD 3.28Å; I597-R623 WeakPolarHBondContact O-CD 3.47Å; I597-R623 VanDerWaalsContact O-CG 3.3Å; I597-R623 WeakPolarHBondContact O-CG 3.48Å
598N85.7Confident87.5Confident68 Ų6821.5 Ų21.536%0.36411%0.112SC..  trans-94.4126.5168.9-66.2-11.2000109.2N576 R626N576-N598 PolarHBondContact ND2-O 3.39Å; N598-R626 WeakPolarHBondContact OD1-CD 3.34Å; N598-R626 PolarHBondContact OD1-NH1 2.97Å
599L89.1Confident87.4Confident0 Ų021.5 Ų21.50%011%0.112CC..  trans-127.843.1-175.7-61.4175.3000110.5L520 A572 F575 N576 L586 I597 G601 R623 V624L520-L599 HydrophobicContact CD1-CB 3.98Å; L520-L599 HydrophobicContact CD1-CD1 3.7Å; L520-L599 HydrophobicContact CD1-CG 4.4Å; A572-L599 HydrophobicContact CB-CD2 4.31Å; F575-L599 HydrophobicContact CD1-CD2 4.31Å; N576-L599 VanDerWaalsContact OD1-C 3.31Å; N576-L599 WeakPolarHBondContact OD1-CA 3.5Å; L586-L599 HydrophobicContact CD2-CD1 4.07Å; L586-L599 HydrophobicContact CD2-CD2 3.69Å; L586-L599 HydrophobicContact CD2-CG 4.47Å; I597-L599 HydrophobicContact CG2-CD2 3.72Å; I597-L599 HydrophobicContact CG2-CG 4Å; L599-G601 VanDerWaalsContact C-N 3.26Å; L599-G601 PolarHBondContact O-N 3.12Å; L599-R623 PolarHBondContact N-O 2.82Å; L599-V624 HydrophobicContact CB-CG2 4.21Å
600I89.7Confident87.2Confident46 Ų4621 Ų2124%0.23611%0.109CC..THydrogen-bonded Turntrans-69.2-16.2-175.657.6170.3000114N576 S602 R626 Q629N576-I600 HydrophobicContact CB-CG1 4.48Å; N576-I600 PolarHBondContact OD1-N 3.47Å; I600-S602 PolarHBondContact O-N 3.45Å; I600-R626 HydrophobicContact CG2-CB 4.33Å; I600-Q629 HydrophobicContact CG2-CB 4.46Å; I600-Q629 PolarHBondContact O-NE2 2.82Å
601G89.3Confident87Confident20 Ų2021.2 Ų21.221%0.20611%0.11CC..THydrogen-bonded Turntrans-69.5-11.2177.600000115.1N576 L599N576-G601 PolarHBondContact OD1-N 2.99Å; L599-G601 VanDerWaalsContact C-N 3.26Å; L599-G601 PolarHBondContact O-N 3.12Å
602S91.8Very high86.8Confident1 Ų115.8 Ų15.81%0.0079%0.089CC..  trans-103145.9172.3177.50000111K518 I600 R604 V624 Q629K518-S602 WeakPolarHBondContact O-CB 3.5Å; K518-S602 PolarHBondContact O-OG 2.95Å; I600-S602 PolarHBondContact O-N 3.45Å; S602-R604 PolarHBondContact OG-N 3.45Å; S602-R604 PolarHBondContact OG-O 3.5Å; S602-V624 WeakPolarHBondContact O-CG1 3.4Å; S602-Q629 PolarHBondContact O-NE2 3.12Å
603N91.9Very high86.6Confident5 Ų515.9 Ų15.93%0.0279%0.09CC..  trans-126.36.3171.970.1-55.1000112.2D517 K631 V633 Y634D517-N603 WeakPolarHBondContact CB-OD1 3.43Å; D517-N603 PolarHBondContact OD1-ND2 3.37Å; D517-N603 PolarHBondContact OD1-OD1 3.43Å; D517-N603 VanDerWaalsContact OD1-OD1 3.12Å; D517-N603 PolarHBondContact OD2-ND2 2.97Å; N603-K631 HydrophobicContact CB-CB 3.71Å; N603-K631 HydrophobicContact CB-CD 4.03Å; N603-V633 WeakPolarHBondContact O-CA 3.18Å; N603-Y634 PolarHBondContact O-N 2.57Å
604R95.1Very high86.9Confident31 Ų3116.1 Ų16.112%0.1179%0.091CC..EExtended strand (participates in β ladder)trans-127.6116.6178.8-59.5-75.6178.1-173.8-2.5108.1D517 L519 L520 S602 Y634 Y636D517-R604 HydrophobicContact CB-CG 3.74Å; D517-R604 IonicContact OD2-CZ 3.94Å; D517-R604 VanDerWaalsContact OD2-CZ 3.3Å; D517-R604 IonicContact OD2-NE 2.95Å; D517-R604 PolarHBondContact OD2-NE 2.9Å; D517-R604 IonicContact OD2-NH2 3.81Å; D517-R604 PolarHBondContact OD2-NH2 3.41Å; L519-R604 HydrophobicContact CD1-CB 3.65Å; L520-R604 PolarHBondContact N-O 2.95Å; S602-R604 PolarHBondContact OG-N 3.45Å; S602-R604 PolarHBondContact OG-O 3.5Å; R604-Y634 CarbonylContact C-O 3.39Å; R604-Y634 WeakPolarHBondContact CA-O 3.21Å; R604-Y634 VanDerWaalsContact NH1-CD2 3.28Å; R604-Y636 PolarHBondContact NH1-OH 3.36Å; R604-Y636 VanDerWaalsContact NH1-OH 3.07Å
605V95.4Very high87.3Confident1 Ų115.8 Ų15.81%0.0069%0.089CC..EExtended strand (participates in β ladder)trans-120.8131.9-178.6-178.10000109.1L520 F522 V624 V633 Y634 V635 Y636L520-V605 HydrophobicContact CD2-CG1 4.25Å; L520-V605 CarbonylContact O-C 3.59Å; L520-V605 WeakPolarHBondContact O-CA 3.45Å; F522-V605 HydrophobicContact CD2-CG1 3.59Å; F522-V605 HydrophobicContact CE2-CG1 3.78Å; V605-V624 HydrophobicContact CG2-CB 4.3Å; V605-V624 HydrophobicContact CG2-CG1 4.08Å; V605-V624 HydrophobicContact CG2-CG2 3.97Å; V605-V633 HydrophobicContact CG2-CG1 4.33Å; V605-Y634 PolarHBondContact N-O 3.18Å; V605-V635 HydrophobicContact CB-CG1 4.35Å; V605-V635 HydrophobicContact CB-CG2 4.21Å; V605-V635 HydrophobicContact CG1-CG1 4.34Å; V605-V635 CarbonylContact O-C 3.51Å; V605-V635 WeakPolarHBondContact O-CA 3.45Å; V605-Y636 PolarHBondContact O-N 3.48Å
606V96Very high87.9Confident0 Ų014.1 Ų14.10%08%0.079CC..EExtended strand (participates in β ladder)trans-112.5126.7168.5172.80000108.9L505 I508 L519 L520 V521 F522 Y636 F638L505-V606 HydrophobicContact CD1-CB 4.36Å; L505-V606 HydrophobicContact CD1-CG1 4.13Å; L505-V606 HydrophobicContact CD1-CG2 4.26Å; I508-V606 HydrophobicContact CD1-CG2 4.35Å; I508-V606 HydrophobicContact CG2-CG2 4.25Å; L519-V606 HydrophobicContact CD1-CG2 3.99Å; L520-V606 PolarHBondContact O-N 2.91Å; V521-V606 HydrophobicContact CG2-CB 4.38Å; F522-V606 PolarHBondContact N-O 3.46Å; V606-Y636 CarbonylContact C-O 3.22Å; V606-Y636 VanDerWaalsContact CA-O 3.31Å; V606-Y636 WeakPolarHBondContact CA-O 3.36Å; V606-Y636 HydrophobicContact CG2-CD2 4.12Å; V606-F638 HydrophobicContact CG1-CD1 4.33Å; V606-F638 HydrophobicContact CG1-CD2 4.21Å; V606-F638 HydrophobicContact CG1-CE1 3.98Å; V606-F638 HydrophobicContact CG1-CE2 3.89Å; V606-F638 HydrophobicContact CG1-CG 4.43Å; V606-F638 HydrophobicContact CG1-CZ 3.76Å; V606-F638 HydrophobicContact CG2-CZ 4.4Å
607I95.2Very high88.9Confident1 Ų113.3 Ų13.31%0.0057%0.07CC..EExtended strand (participates in β ladder)trans-99.5105.4165.6-60.6170.1000105.8F522 E617 M621 V635 Y636 F638F522-I607 HydrophobicContact CB-CG1 4.45Å; F522-I607 HydrophobicContact CD2-CG1 4.48Å; I607-E617 HydrophobicContact CD1-CB 4.32Å; I607-M621 HydrophobicContact CD1-CG 4.2Å; I607-M621 HydrophobicContact CD1-SD 3.78Å; I607-V635 HydrophobicContact CD1-CG1 3.97Å; I607-V635 HydrophobicContact CG1-CG1 4.38Å; I607-Y636 PolarHBondContact N-O 3.17Å; I607-F638 PolarHBondContact O-N 3.43Å
608F95.2Very high89.2Confident0 Ų014 Ų140%07%0.073CC..  trans-78.1-31.5-167.9-172.1-87.7000113.3N368 K501 L502 L505 V521 F522 M528 F638N368-F608 HydrophobicContact CB-CE1 4.08Å; K501-F608 HydrophobicContact CB-CE1 4.29Å; K501-F608 HydrophobicContact CB-CE2 3.77Å; K501-F608 HydrophobicContact CB-CZ 3.55Å; K501-F608 HydrophobicContact CD-CD1 4.43Å; K501-F608 HydrophobicContact CD-CE1 3.96Å; K501-F608 HydrophobicContact CD-CZ 4.06Å; K501-F608 HydrophobicContact CG-CZ 4.5Å; K501-F608 PolarHBondContact NZ-O 3.47Å; L502-F608 HydrophobicContact CD2-CE2 3.94Å; L502-F608 HydrophobicContact CD2-CZ 3.99Å; L502-F608 HydrophobicContact CG-CZ 4.24Å; L505-F608 HydrophobicContact CB-CE2 4.36Å; L505-F608 HydrophobicContact CD2-CD2 4.12Å; L505-F608 HydrophobicContact CD2-CE2 4.09Å; V521-F608 HydrophobicContact CG1-CB 4.46Å; F522-F608 PolarHBondContact O-N 3.01Å; M528-F608 HydrophobicContact CE-CE1 3.82Å; M528-F608 HydrophobicContact CE-CE2 4.42Å; M528-F608 HydrophobicContact CE-CZ 3.65Å; M528-F608 HydrophobicContact CG-CD1 3.65Å; M528-F608 HydrophobicContact CG-CE1 3.52Å; M528-F608 HydrophobicContact CG-CZ 4.27Å; M528-F608 HydrophobicContact SD-CD1 4.22Å; M528-F608 HydrophobicContact SD-CE1 3.45Å; M528-F608 WeakPolarHBondContact SD-CE1 3.43Å; M528-F608 HydrophobicContact SD-CZ 3.92Å; F608-F638 AromaticContact CD2-CD2 3.85Å; F608-F638 HydrophobicContact CD2-CD2 3.85Å; F608-F638 HydrophobicContact CD2-CE2 4.07Å; F608-F638 HydrophobicContact CE2-CD2 4.16Å; F608-F638 HydrophobicContact CE2-CE2 4.3Å
609D92.2Very high89.2Confident0 Ų011.4 Ų11.40%06%0.059CC..SBendtrans-148.9135.6-174.749.9-42.3000111.6Q364 S523 Q524 E645Q364-D609 PolarHBondContact NE2-OD2 3.16Å; S523-D609 WeakPolarHBondContact CA-OD1 3.49Å; S523-D609 WeakPolarHBondContact CB-OD1 3.16Å; S523-D609 PolarHBondContact OG-OD1 3.49Å; S523-D609 PolarHBondContact OG-OD2 3.43Å; Q524-D609 WeakPolarHBondContact CG-OD2 3.22Å; Q524-D609 PolarHBondContact N-OD1 3.41Å; D609-E645 WeakPolarHBondContact CA-OE1 3.44Å
610A87.9Confident89.1Confident1 Ų111.4 Ų11.41%0.0086%0.059CC..  trans-82.1140-169.600000113.5Q524 I639 E645Q524-A610 PolarHBondContact NE2-O 2.92Å; A610-I639 HydrophobicContact CB-CD1 3.91Å; A610-E645 HydrophobicContact CB-CG 3.94Å; A610-E645 PolarHBondContact N-OE1 2.95Å; A610-E645 VanDerWaalsContact N-OE1 3.1Å
611N85.3Confident89Confident6 Ų69.6 Ų9.63%0.0325%0.05CC..  trans-105.7147-177-171-9.1000112.2Q524 N613 E617 Q652Q524-N611 VanDerWaalsContact OE1-CB 3.29Å; Q524-N611 VanDerWaalsContact OE1-CG 3.24Å; Q524-N611 PolarHBondContact OE1-OD1 3.42Å; N611-N613 PolarHBondContact O-N 3.37Å; N611-E617 HydrophobicContact CB-CG 4.44Å; N611-E617 VanDerWaalsContact CB-OE1 3.27Å; N611-E617 WeakPolarHBondContact CB-OE1 3.44Å; N611-E617 PolarHBondContact N-OE1 3.06Å; N611-Q652 WeakPolarHBondContact O-CG 3.46Å; N611-Q652 PolarHBondContact O-NE2 3.01Å
612W81.3Confident88.9Confident31 Ų319.8 Ų9.812%0.1175%0.045CC..SBendtrans-59.4-19178.6-70.985.9000115.2L356 F360 I648 K655 L680L356-W612 HydrophobicContact CD2-CH2 4.4Å; F360-W612 AromaticContact CD1-NE1 3.57Å; F360-W612 HydrophobicContact CD2-CZ2 4.27Å; F360-W612 AromaticContact CD2-NE1 3.86Å; F360-W612 AromaticContact CE1-CD1 3.98Å; F360-W612 AromaticContact CE1-NE1 3.46Å; F360-W612 AromaticContact CE2-NE1 3.77Å; F360-W612 HydrophobicContact CG-CZ2 4.32Å; F360-W612 AromaticContact CG-NE1 3.77Å; F360-W612 AromaticContact CZ-NE1 3.57Å; W612-I648 HydrophobicContact CD2-CD1 4.41Å; W612-I648 HydrophobicContact CD2-CG1 4.35Å; W612-I648 HydrophobicContact CD2-CG2 4.4Å; W612-I648 HydrophobicContact CE3-CG1 4.43Å; W612-I648 HydrophobicContact CH2-CD1 4.06Å; W612-I648 HydrophobicContact CH2-CG1 3.82Å; W612-I648 HydrophobicContact CZ2-CD1 3.43Å; W612-I648 VanDerWaalsContact CZ2-CD1 3.43Å; W612-I648 HydrophobicContact CZ2-CG1 3.71Å; W612-I648 HydrophobicContact CZ3-CG1 4.18Å; W612-K655 PolarHBondContact O-NZ 3.37Å; W612-L680 HydrophobicContact CH2-CD2 4.36Å
613N81.8Confident88.6Confident3 Ų311.1 Ų11.12%0.0165%0.05CC..  trans-123.3109.1173.9178.51.8000110.5N611 T615 H616N611-N613 PolarHBondContact O-N 3.37Å; N613-T615 PolarHBondContact O-N 2.72Å; N613-T615 VanDerWaalsContact O-N 3.13Å; N613-T615 WeakPolarHBondContact OD1-CB 3.31Å; N613-T615 PolarHBondContact OD1-N 3.23Å; N613-T615 PolarHBondContact OD1-OG1 3.39Å; N613-H616 PolarHBondContact O-N 3.29Å
614P86.7Confident88.4Confident5 Ų510.9 Ų10.93%0.0325%0.049CC..Hα-helixtrans-65.6-17.2-178.626.4-32.9000112.9H616 E617 M618 Q652 Q656P614-H616 VanDerWaalsContact C-N 3.28Å; P614-H616 PolarHBondContact O-N 3.17Å; P614-E617 WeakPolarHBondContact O-CB 3.34Å; P614-E617 PolarHBondContact O-N 3.35Å; P614-M618 WeakPolarHBondContact O-CB 3.34Å; P614-M618 PolarHBondContact O-N 3.4Å; P614-Q652 HydrophobicContact CB-CB 4.1Å; P614-Q652 HydrophobicContact CB-CG 4.23Å; P614-Q652 HydrophobicContact CG-CB 4.12Å; P614-Q652 HydrophobicContact CG-CG 4.41Å; P614-Q656 HydrophobicContact CB-CG 4.15Å; P614-Q656 HydrophobicContact CG-CG 3.81Å
615T84.1Confident87.9Confident7 Ų710.1 Ų10.14%0.0435%0.047CC..Hα-helixtrans-61.1-35.1-178.8-51.30000112.8T236 Q239 N613 E617 Q619T236-T615 HydrophobicContact CG2-CG2 3.78Å; T236-T615 WeakPolarHBondContact OG1-CG2 3.29Å; Q239-T615 WeakPolarHBondContact CB-OG1 3.24Å; Q239-T615 HydrophobicContact CG-CG2 4.02Å; Q239-T615 WeakPolarHBondContact CG-OG1 3.43Å; N613-T615 PolarHBondContact O-N 2.72Å; N613-T615 VanDerWaalsContact O-N 3.13Å; N613-T615 WeakPolarHBondContact OD1-CB 3.31Å; N613-T615 PolarHBondContact OD1-N 3.23Å; N613-T615 PolarHBondContact OD1-OG1 3.39Å; T615-E617 VanDerWaalsContact C-N 3.34Å; T615-Q619 HydrophobicContact CG2-CG 4.18Å; T615-Q619 VanDerWaalsContact O-CB 3.29Å; T615-Q619 WeakPolarHBondContact O-CB 3.38Å; T615-Q619 WeakPolarHBondContact O-CG 3.28Å; T615-Q619 PolarHBondContact O-N 2.91Å
616H84Confident87.1Confident33 Ų3313.1 Ų13.115%0.1536%0.058CC..Hα-helixtrans-69.2-35.1179.5-67.5-51.9000112.3I590 N613 P614 A620I590-H616 HydrophobicContact CG2-CB 3.75Å; N613-H616 PolarHBondContact O-N 3.29Å; P614-H616 VanDerWaalsContact C-N 3.28Å; P614-H616 PolarHBondContact O-N 3.17Å; H616-A620 WeakPolarHBondContact O-CB 3.32Å; H616-A620 PolarHBondContact O-N 2.91Å; H616-A620 VanDerWaalsContact O-N 3.13Å
617E88.2Confident86.1Confident2 Ų217.7 Ų17.71%0.0098%0.082CC..Hα-helixtrans-69.6-47.7175.5-60.6164.5-178.800110.1I590 I607 N611 P614 T615 Q619 A620 M621 R637 Q652I590-E617 HydrophobicContact CD1-CG 4.22Å; I590-E617 HydrophobicContact CG2-CG 4.38Å; I607-E617 HydrophobicContact CD1-CB 4.32Å; N611-E617 HydrophobicContact CB-CG 4.44Å; N611-E617 VanDerWaalsContact CB-OE1 3.27Å; N611-E617 WeakPolarHBondContact CB-OE1 3.44Å; N611-E617 PolarHBondContact N-OE1 3.06Å; P614-E617 WeakPolarHBondContact O-CB 3.34Å; P614-E617 PolarHBondContact O-N 3.35Å; T615-E617 VanDerWaalsContact C-N 3.34Å; E617-Q619 VanDerWaalsContact C-N 3.34Å; E617-Q619 PolarHBondContact O-N 3.43Å; E617-A620 CarbonylContact O-C 3.53Å; E617-A620 WeakPolarHBondContact O-CA 3.34Å; E617-A620 WeakPolarHBondContact O-CB 3.47Å; E617-A620 PolarHBondContact O-N 3.48Å; E617-M621 WeakPolarHBondContact O-CG 3.36Å; E617-M621 PolarHBondContact O-N 2.86Å; E617-R637 IonicContact OE1-NH1 2.66Å; E617-R637 IonicContact OE2-CZ 3.84Å; E617-R637 IonicContact OE2-NH1 3.68Å; E617-R637 PolarHBondContact OE2-NH1 2.87Å; E617-R637 IonicContact OE2-NH2 2.7Å; E617-R637 PolarHBondContact OE2-NH2 3.33Å; E617-Q652 VanDerWaalsContact CD-NE2 3.27Å; E617-Q652 PolarHBondContact OE1-NE2 3.23Å; E617-Q652 PolarHBondContact OE2-NE2 3.12Å
618M86.2Confident85.4Confident33 Ų3320.1 Ų20.116%0.16311%0.107CC..Hα-helixtrans-56.6-45.5174.2-176.3-175.3-74.400111.8T236 P614 A620 M621 F622T236-M618 HydrophobicContact CG2-SD 3.77Å; P614-M618 WeakPolarHBondContact O-CB 3.34Å; P614-M618 PolarHBondContact O-N 3.4Å; M618-A620 PolarHBondContact O-N 3.02Å; M618-M621 PolarHBondContact O-N 2.66Å; M618-F622 HydrophobicContact CG-CD2 3.66Å; M618-F622 HydrophobicContact CG-CE2 3.37Å; M618-F622 WeakPolarHBondContact O-CD2 3.19Å; M618-F622 PolarHBondContact O-N 2.79Å; M618-F622 HydrophobicContact SD-CE2 4.05Å
619Q86.3Confident84.9Confident13 Ų1321 Ų216%0.06111%0.111CC..Hα-helixtrans-61-31.7174.9-77.4176.5-1.600113M93 H209 T615 E617 R623M93-Q619 HydrophobicContact CE-CB 3.9Å; M93-Q619 HydrophobicContact CE-CG 3.67Å; M93-Q619 HydrophobicContact SD-CB 4.09Å; M93-Q619 HydrophobicContact SD-CG 3.54Å; M93-Q619 VanDerWaalsContact SD-CG 3.54Å; H209-Q619 PolarHBondContact CE1-NE2 3.26Å; T615-Q619 HydrophobicContact CG2-CG 4.18Å; T615-Q619 VanDerWaalsContact O-CB 3.29Å; T615-Q619 WeakPolarHBondContact O-CB 3.38Å; T615-Q619 WeakPolarHBondContact O-CG 3.28Å; T615-Q619 PolarHBondContact O-N 2.91Å; E617-Q619 VanDerWaalsContact C-N 3.34Å; E617-Q619 PolarHBondContact O-N 3.43Å; Q619-R623 WeakPolarHBondContact O-CG 3.39Å; Q619-R623 PolarHBondContact O-NE 3.15Å
620A87.5Confident84.6Confident0 Ų026 Ų260%014%0.142CC..Hα-helixtrans-80.5-40.7178.600000111.7F522 H616 E617 M618 R623F522-A620 HydrophobicContact CD1-CB 4.17Å; F522-A620 HydrophobicContact CD2-CB 4.32Å; F522-A620 HydrophobicContact CE1-CB 3.68Å; F522-A620 HydrophobicContact CE2-CB 3.82Å; F522-A620 HydrophobicContact CZ-CB 3.48Å; F522-A620 VanDerWaalsContact CZ-CB 3.48Å; F522-A620 WeakPolarHBondContact CZ-O 3.25Å; H616-A620 WeakPolarHBondContact O-CB 3.32Å; H616-A620 PolarHBondContact O-N 2.91Å; H616-A620 VanDerWaalsContact O-N 3.13Å; E617-A620 CarbonylContact O-C 3.53Å; E617-A620 WeakPolarHBondContact O-CA 3.34Å; E617-A620 WeakPolarHBondContact O-CB 3.47Å; E617-A620 PolarHBondContact O-N 3.48Å; M618-A620 PolarHBondContact O-N 3.02Å; A620-R623 VanDerWaalsContact O-CB 3.27Å; A620-R623 WeakPolarHBondContact O-CB 3.32Å; A620-R623 PolarHBondContact O-N 3Å; A620-R623 VanDerWaalsContact O-N 3.09Å
621M88.2Confident84.6Confident9 Ų930.1 Ų30.14%0.04416%0.16CC..Hα-helixtrans-59.7-44.2172.8-71.7158.254.800112.3K317 E319 I607 E617 M618 R623 V624 I625 V635K317-M621 HydrophobicContact CD-CE 4.16Å; E319-M621 WeakPolarHBondContact OE2-CE 3.3Å; I607-M621 HydrophobicContact CD1-CG 4.2Å; I607-M621 HydrophobicContact CD1-SD 3.78Å; E617-M621 WeakPolarHBondContact O-CG 3.36Å; E617-M621 PolarHBondContact O-N 2.86Å; M618-M621 PolarHBondContact O-N 2.66Å; M621-R623 PolarHBondContact O-N 3.16Å; M621-V624 WeakPolarHBondContact O-CB 3.37Å; M621-V624 PolarHBondContact O-N 2.92Å; M621-I625 PolarHBondContact O-N 2.81Å; M621-V635 HydrophobicContact CE-CG2 4.43Å; M621-V635 HydrophobicContact CG-CG1 4.49Å; M621-V635 HydrophobicContact SD-CG1 4.43Å
622F85.7Confident84.9Confident24 Ų2432.2 Ų32.211%0.10517%0.174CC..THydrogen-bonded Turntrans-71.98.8175.4-68.4-55000114.4M93 Y307 M618 I625M93-F622 HydrophobicContact CB-CB 4Å; M93-F622 HydrophobicContact CB-CD2 4.09Å; M93-F622 HydrophobicContact CB-CG 4.19Å; M93-F622 HydrophobicContact CG-CD2 4.45Å; M93-F622 HydrophobicContact SD-CB 4.46Å; M93-F622 HydrophobicContact SD-CD2 4.15Å; Y307-F622 HydrophobicContact CD2-CE1 4.42Å; Y307-F622 HydrophobicContact CD2-CZ 4.31Å; Y307-F622 HydrophobicContact CE1-CD1 4.48Å; Y307-F622 HydrophobicContact CE1-CE1 4.2Å; Y307-F622 HydrophobicContact CE2-CD1 4.45Å; Y307-F622 AromaticContact CE2-CE1 3.58Å; Y307-F622 HydrophobicContact CE2-CE1 3.58Å; Y307-F622 HydrophobicContact CE2-CE2 4.02Å; Y307-F622 AromaticContact CE2-CZ 3.33Å; Y307-F622 HydrophobicContact CE2-CZ 3.33Å; Y307-F622 AromaticContact CZ-CD1 3.88Å; Y307-F622 AromaticContact CZ-CE1 3.44Å; Y307-F622 VanDerWaalsContact CZ-CE1 3.44Å; Y307-F622 AromaticContact CZ-CZ 3.57Å; Y307-F622 WeakPolarHBondContact OH-CD1 3.47Å; Y307-F622 WeakPolarHBondContact OH-CE1 3.39Å; Y307-F622 WeakPolarHBondContact OH-CE2 3.4Å; Y307-F622 WeakPolarHBondContact OH-CZ 3.24Å; M618-F622 HydrophobicContact CG-CD2 3.66Å; M618-F622 HydrophobicContact CG-CE2 3.37Å; M618-F622 WeakPolarHBondContact O-CD2 3.19Å; M618-F622 PolarHBondContact O-N 2.79Å; M618-F622 HydrophobicContact SD-CE2 4.05Å; F622-I625 HydrophobicContact CD1-CB 4.05Å; F622-I625 HydrophobicContact CD1-CG2 4.28Å; F622-I625 HydrophobicContact CE1-CG2 4.4Å
623R85.4Confident85.4Confident29 Ų2930.8 Ų30.811%0.10917%0.168CC..THydrogen-bonded Turntrans-87.1-23.4161.1-59.7-37.1-179.5179.2-5.1113G593 S594 I597 L599 Q619 A620 M621G593-R623 VanDerWaalsContact O-CG 3.3Å; G593-R623 WeakPolarHBondContact O-CG 3.45Å; S594-R623 PolarHBondContact O-NH2 3.08Å; I597-R623 WeakPolarHBondContact O-CB 3.21Å; I597-R623 VanDerWaalsContact O-CD 3.28Å; I597-R623 WeakPolarHBondContact O-CD 3.47Å; I597-R623 VanDerWaalsContact O-CG 3.3Å; I597-R623 WeakPolarHBondContact O-CG 3.48Å; L599-R623 PolarHBondContact N-O 2.82Å; Q619-R623 WeakPolarHBondContact O-CG 3.39Å; Q619-R623 PolarHBondContact O-NE 3.15Å; A620-R623 VanDerWaalsContact O-CB 3.27Å; A620-R623 WeakPolarHBondContact O-CB 3.32Å; A620-R623 PolarHBondContact O-N 3Å; A620-R623 VanDerWaalsContact O-N 3.09Å; M621-R623 PolarHBondContact O-N 3.16Å
624V88.4Confident85.9Confident0 Ų033.4 Ų33.40%018%0.179CC..THydrogen-bonded Turntrans-92.4-45.7174.8-175.40000110.1L520 L599 S602 V605 M621 R626 V633L520-V624 HydrophobicContact CD1-CG2 3.94Å; L599-V624 HydrophobicContact CB-CG2 4.21Å; S602-V624 WeakPolarHBondContact O-CG1 3.4Å; V605-V624 HydrophobicContact CG2-CB 4.3Å; V605-V624 HydrophobicContact CG2-CG1 4.08Å; V605-V624 HydrophobicContact CG2-CG2 3.97Å; M621-V624 WeakPolarHBondContact O-CB 3.37Å; M621-V624 PolarHBondContact O-N 2.92Å; V624-R626 PolarHBondContact O-N 3.01Å; V624-R626 VanDerWaalsContact O-N 3.15Å; V624-V633 HydrophobicContact CG1-CG1 4.02Å; V624-V633 HydrophobicContact CG1-CG2 4.37Å
625I83.8Confident86.3Confident14 Ų1433.2 Ų33.27%0.07218%0.177CC..SBendtrans-85.684.5176.4-52.7170.6000108.4K317 M621 F622 V633K317-I625 HydrophobicContact CB-CD1 4.04Å; K317-I625 HydrophobicContact CD-CD1 3.51Å; K317-I625 HydrophobicContact CG-CD1 3.73Å; M621-I625 PolarHBondContact O-N 2.81Å; F622-I625 HydrophobicContact CD1-CB 4.05Å; F622-I625 HydrophobicContact CD1-CG2 4.28Å; F622-I625 HydrophobicContact CE1-CG2 4.4Å; I625-V633 HydrophobicContact CD1-CB 4.47Å; I625-V633 HydrophobicContact CD1-CG1 4.29Å; I625-V633 HydrophobicContact CG1-CB 4.03Å; I625-V633 HydrophobicContact CG1-CG1 3.91Å; I625-V633 HydrophobicContact CG1-CG2 4.1Å
626R79.8Confident86.8Confident65 Ų6534.8 Ų34.825%0.24518%0.182CC..SBendtrans-145.5160.4-179.4-161.9169.6-178.2170.22.6110.2N598 I600 V624 G628 Q629N598-R626 WeakPolarHBondContact OD1-CD 3.34Å; N598-R626 PolarHBondContact OD1-NH1 2.97Å; I600-R626 HydrophobicContact CG2-CB 4.33Å; V624-R626 PolarHBondContact O-N 3.01Å; V624-R626 VanDerWaalsContact O-N 3.15Å; R626-G628 PolarHBondContact O-N 3.16Å; R626-Q629 WeakPolarHBondContact O-CB 3.48Å; R626-Q629 PolarHBondContact O-N 3.21Å
627L74.8Confident87.4Confident95 Ų9533.4 Ų33.450%0.49718%0.176SC..THydrogen-bonded Turntrans-47.6126.8170.5-64.3169.9000110.2L314L314-L627 HydrophobicContact CD2-CD2 4.11Å
628G80.1Confident87.7Confident53 Ų5333.4 Ų33.455%0.54618%0.176SC..THydrogen-bonded Turntrans103.2-14.1-172.900000114.9R626R626-G628 PolarHBondContact O-N 3.16Å
629Q84.8Confident88.1Confident17 Ų1731.8 Ų31.88%0.07917%0.168CC..  trans-65138.5162.2179.257.5-96.200109.5F315 I600 S602 R626 K631 V633F315-Q629 VanDerWaalsContact CD2-O 3.25Å; F315-Q629 WeakPolarHBondContact CD2-O 3.12Å; F315-Q629 WeakPolarHBondContact CE2-O 3.29Å; I600-Q629 HydrophobicContact CG2-CB 4.46Å; I600-Q629 PolarHBondContact O-NE2 2.82Å; S602-Q629 PolarHBondContact O-NE2 3.12Å; R626-Q629 WeakPolarHBondContact O-CB 3.48Å; R626-Q629 PolarHBondContact O-N 3.21Å; Q629-K631 WeakPolarHBondContact CG-O 3.14Å; Q629-K631 PolarHBondContact OE1-O 3.33Å; Q629-V633 HydrophobicContact CG-CG2 3.8Å
630T85.6Confident88.4Confident106 Ų10631.2 Ų31.265%0.6517%0.166SC*.  trans-124.4-13.9-178.856.60000113.8F315F315-T630 WeakPolarHBondContact CE1-O 3.45Å
631K89.1Confident88.4Confident88 Ų8832 Ų3238%0.38317%0.169SC..SBendtrans-102.9149.8176.1-71-176.5171-173.90110.8D517 N603 Q629D517-K631 IonicContact OD1-NZ 3.99Å; D517-K631 PolarHBondContact OD1-NZ 3.48Å; N603-K631 HydrophobicContact CB-CB 3.71Å; N603-K631 HydrophobicContact CB-CD 4.03Å; Q629-K631 WeakPolarHBondContact CG-O 3.14Å; Q629-K631 PolarHBondContact OE1-O 3.33Å
632P90.4Very high88.2Confident49 Ų4933.8 Ų33.832%0.31818%0.177SC..  trans-60.7140.4166.427.1-34000110.4Y634P632-Y634 HydrophobicContact CB-CE2 4.21Å; P632-Y634 HydrophobicContact CG-CE2 4.02Å
633V92Very high88.4Confident1 Ų132.7 Ų32.71%0.00617%0.173CC..EExtended strand (participates in β ladder)trans-106.7121.2-171.5-178.70000110.4M316 H318 N603 V605 V624 I625 Q629 V635M316-V633 PolarHBondContact O-N 3.45Å; M316-V633 VanDerWaalsContact O-N 3.15Å; H318-V633 PolarHBondContact N-O 2.98Å; N603-V633 WeakPolarHBondContact O-CA 3.18Å; V605-V633 HydrophobicContact CG2-CG1 4.33Å; V624-V633 HydrophobicContact CG1-CG1 4.02Å; V624-V633 HydrophobicContact CG1-CG2 4.37Å; I625-V633 HydrophobicContact CD1-CB 4.47Å; I625-V633 HydrophobicContact CD1-CG1 4.29Å; I625-V633 HydrophobicContact CG1-CB 4.03Å; I625-V633 HydrophobicContact CG1-CG1 3.91Å; I625-V633 HydrophobicContact CG1-CG2 4.1Å; Q629-V633 HydrophobicContact CG-CG2 3.8Å; V633-V635 HydrophobicContact CG1-CG2 4.31Å
634Y93.9Very high88.6Confident59 Ų5931.3 Ų31.323%0.23117%0.168CC..EExtended strand (participates in β ladder)trans-103.5120.4178.7-58-93.4000109.7H318 Y320 N603 R604 V605 P632H318-Y634 HydrophobicContact CB-CD1 4.19Å; H318-Y634 AromaticContact CD2-CE1 3.97Å; H318-Y634 CarbonylContact O-C 3.46Å; H318-Y634 WeakPolarHBondContact O-CA 3.37Å; Y320-Y634 HydrophobicContact CE2-CD1 4.17Å; N603-Y634 PolarHBondContact O-N 2.57Å; R604-Y634 CarbonylContact C-O 3.39Å; R604-Y634 WeakPolarHBondContact CA-O 3.21Å; R604-Y634 VanDerWaalsContact NH1-CD2 3.28Å; V605-Y634 PolarHBondContact N-O 3.18Å; P632-Y634 HydrophobicContact CB-CE2 4.21Å; P632-Y634 HydrophobicContact CG-CE2 4.02Å
635V94.3Very high88.8Confident1 Ų131.4 Ų31.41%0.00617%0.168CC..EExtended strand (participates in β ladder)trans-109.6128.4177.6-174.20000108.5H318 E319 Y320 V605 I607 M621 V633H318-V635 PolarHBondContact O-N 3.42Å; E319-V635 CarbonylContact C-O 3.52Å; E319-V635 WeakPolarHBondContact CA-O 3.26Å; E319-V635 HydrophobicContact CB-CB 4.11Å; E319-V635 HydrophobicContact CG-CB 3.95Å; E319-V635 HydrophobicContact CG-CG1 4.01Å; Y320-V635 PolarHBondContact N-O 3.49Å; V605-V635 HydrophobicContact CB-CG1 4.35Å; V605-V635 HydrophobicContact CB-CG2 4.21Å; V605-V635 HydrophobicContact CG1-CG1 4.34Å; V605-V635 CarbonylContact O-C 3.51Å; V605-V635 WeakPolarHBondContact O-CA 3.45Å; I607-V635 HydrophobicContact CD1-CG1 3.97Å; I607-V635 HydrophobicContact CG1-CG1 4.38Å; M621-V635 HydrophobicContact CE-CG2 4.43Å; M621-V635 HydrophobicContact CG-CG1 4.49Å; M621-V635 HydrophobicContact SD-CG1 4.43Å; V633-V635 HydrophobicContact CG1-CG2 4.31Å
636Y95.1Very high89.1Confident39 Ų3931.8 Ų31.815%0.15317%0.172CC..EExtended strand (participates in β ladder)trans-117.2115.6177.9-50.7-76000109.4Y320 L322 I508 R604 V605 V606 I607Y320-Y636 HydrophobicContact CD2-CD1 4.29Å; Y320-Y636 HydrophobicContact CD2-CE1 4.13Å; Y320-Y636 WeakPolarHBondContact O-CA 3.22Å; L322-Y636 HydrophobicContact CD1-CD1 4.24Å; I508-Y636 HydrophobicContact CD1-CD1 4.49Å; I508-Y636 HydrophobicContact CD1-CD2 4.08Å; I508-Y636 HydrophobicContact CD1-CG 4.02Å; I508-Y636 HydrophobicContact CG2-CD2 4.34Å; I508-Y636 HydrophobicContact CG2-CE2 4.23Å; R604-Y636 PolarHBondContact NH1-OH 3.36Å; R604-Y636 VanDerWaalsContact NH1-OH 3.07Å; V605-Y636 PolarHBondContact O-N 3.48Å; V606-Y636 CarbonylContact C-O 3.22Å; V606-Y636 VanDerWaalsContact CA-O 3.31Å; V606-Y636 WeakPolarHBondContact CA-O 3.36Å; V606-Y636 HydrophobicContact CG2-CD2 4.12Å; I607-Y636 PolarHBondContact N-O 3.17Å
637R95.2Very high89.4Confident5 Ų529.7 Ų29.72%0.01917%0.166CC..EExtended strand (participates in β ladder)trans-103116.5-179.6177.8-178-63.9-80.2-0.9109.3E319 Y320 I321 L322 E617 I639E319-R637 IonicContact OE1-CZ 3.43Å; E319-R637 IonicContact OE1-NE 3.85Å; E319-R637 PolarHBondContact OE1-NE 3.39Å; E319-R637 IonicContact OE1-NH2 3.42Å; E319-R637 PolarHBondContact OE1-NH2 3.16Å; Y320-R637 PolarHBondContact O-N 3.23Å; I321-R637 HydrophobicContact CG1-CB 4.34Å; L322-R637 PolarHBondContact N-O 3.05Å; E617-R637 IonicContact OE1-NH1 2.66Å; E617-R637 IonicContact OE2-CZ 3.84Å; E617-R637 IonicContact OE2-NH1 3.68Å; E617-R637 PolarHBondContact OE2-NH1 2.87Å; E617-R637 IonicContact OE2-NH2 2.7Å; E617-R637 PolarHBondContact OE2-NH2 3.33Å; R637-I639 HydrophobicContact CG-CD1 3.98Å; R637-I639 HydrophobicContact CG-CG1 4.25Å
638F95.2Very high90.1Very high1 Ų125.2 Ų25.20%0.00414%0.143CC..EExtended strand (participates in β ladder)trans-91.4120.2-179.3-66.3-0.3000110.4L322 K501 L504 L505 I508 V606 I607 F608L322-F638 HydrophobicContact CB-CD1 4.39Å; L322-F638 HydrophobicContact CD1-CD1 4.21Å; L322-F638 HydrophobicContact CD1-CE1 3.94Å; K501-F638 HydrophobicContact CB-CD2 4.06Å; K501-F638 HydrophobicContact CD-CB 4.22Å; K501-F638 HydrophobicContact CG-CB 4.3Å; K501-F638 HydrophobicContact CG-CD2 4.25Å; K501-F638 WeakPolarHBondContact O-CE2 3.49Å; L504-F638 HydrophobicContact CB-CE2 4.26Å; L504-F638 HydrophobicContact CB-CZ 4.1Å; L504-F638 HydrophobicContact CD2-CD1 4.02Å; L504-F638 HydrophobicContact CD2-CE1 3.69Å; L504-F638 HydrophobicContact CD2-CE2 4.44Å; L504-F638 HydrophobicContact CD2-CZ 3.91Å; L504-F638 HydrophobicContact CG-CE1 3.92Å; L504-F638 HydrophobicContact CG-CE2 4.33Å; L504-F638 HydrophobicContact CG-CZ 3.7Å; L505-F638 HydrophobicContact CB-CE2 3.96Å; L505-F638 HydrophobicContact CB-CZ 4.44Å; I508-F638 HydrophobicContact CD1-CE1 3.81Å; I508-F638 HydrophobicContact CD1-CZ 3.84Å; V606-F638 HydrophobicContact CG1-CD1 4.33Å; V606-F638 HydrophobicContact CG1-CD2 4.21Å; V606-F638 HydrophobicContact CG1-CE1 3.98Å; V606-F638 HydrophobicContact CG1-CE2 3.89Å; V606-F638 HydrophobicContact CG1-CG 4.43Å; V606-F638 HydrophobicContact CG1-CZ 3.76Å; V606-F638 HydrophobicContact CG2-CZ 4.4Å; I607-F638 PolarHBondContact O-N 3.43Å; F608-F638 AromaticContact CD2-CD2 3.85Å; F608-F638 HydrophobicContact CD2-CD2 3.85Å; F608-F638 HydrophobicContact CD2-CE2 4.07Å; F608-F638 HydrophobicContact CE2-CD2 4.16Å; F608-F638 HydrophobicContact CE2-CE2 4.3Å
639I94.3Very high90.6Very high0 Ų022.7 Ų22.70%012%0.117CC..EExtended strand (participates in β ladder)trans-119125.2176.4-56.9-58.2000108.4I321 L322 Y323 V324 A610 R637 Q641 Y649I321-I639 HydrophobicContact CG2-CG1 3.76Å; L322-I639 PolarHBondContact O-N 3.28Å; Y323-I639 CarbonylContact C-O 3.57Å; Y323-I639 WeakPolarHBondContact CA-O 3.33Å; Y323-I639 HydrophobicContact CD1-CB 4.06Å; Y323-I639 HydrophobicContact CD1-CG2 3.88Å; Y323-I639 HydrophobicContact CE1-CB 4.17Å; Y323-I639 HydrophobicContact CE1-CG2 3.76Å; V324-I639 PolarHBondContact N-O 3.42Å; A610-I639 HydrophobicContact CB-CD1 3.91Å; R637-I639 HydrophobicContact CG-CD1 3.98Å; R637-I639 HydrophobicContact CG-CG1 4.25Å; I639-Q641 PolarHBondContact O-N 3.03Å; I639-Y649 HydrophobicContact CD1-CD2 4.09Å; I639-Y649 HydrophobicContact CD1-CG 3.9Å; I639-Y649 HydrophobicContact CG1-CG 4.14Å
640A92.3Very high90.8Very high1 Ų121.9 Ų21.91%0.00811%0.113CC..EExtended strand (participates in β ladder)trans-65.1125.4169.400000109.7L326 W367 T643 E645L326-A640 HydrophobicContact CD2-CB 4.19Å; W367-A640 HydrophobicContact CB-CB 3.89Å; W367-A640 HydrophobicContact CG-CB 3.98Å; A640-T643 HydrophobicContact CB-CG2 3.96Å; A640-T643 WeakPolarHBondContact CB-OG1 3.26Å; A640-T643 PolarHBondContact O-OG1 3.13Å; A640-E645 HydrophobicContact CB-CB 4.41Å; A640-E645 WeakPolarHBondContact CB-OE2 3.32Å; A640-E645 PolarHBondContact N-OE2 3Å
641Q88.4Confident90.8Very high17 Ų1718 Ų188%0.0799%0.087CC..THydrogen-bonded Turntrans-68.9132.7-174.2172.8175500112.1V324 I639 T643 T703V324-Q641 WeakPolarHBondContact O-CB 3.4Å; V324-Q641 PolarHBondContact O-N 3.2Å; I639-Q641 PolarHBondContact O-N 3.03Å; Q641-T643 PolarHBondContact O-N 3.42Å; Q641-T643 VanDerWaalsContact O-N 3.1Å; Q641-T703 PolarHBondContact OE1-OG1 3.01Å
642E84.5Confident90.8Very high45 Ų4513.9 Ų13.921%0.217%0.069CC..THydrogen-bonded Turntrans55.121.5174.8-53-76.4150.800113.9Y683 N688E642-Y683 WeakPolarHBondContact O-CD2 3.26Å; E642-N688 PolarHBondContact OE1-ND2 3.26Å
643T90.2Very high90.7Very high1 Ų111.7 Ų11.71%0.0065%0.054CC..SBendtrans-100.2173.317072.80000111.3L326 Y334 A640 Q641 E645 S646 Y683L326-T643 HydrophobicContact CD1-CG2 3.81Å; L326-T643 HydrophobicContact CD2-CG2 4.34Å; L326-T643 HydrophobicContact CG-CG2 4.21Å; Y334-T643 HydrophobicContact CD2-CG2 4.37Å; Y334-T643 HydrophobicContact CE2-CG2 3.97Å; A640-T643 HydrophobicContact CB-CG2 3.96Å; A640-T643 WeakPolarHBondContact CB-OG1 3.26Å; A640-T643 PolarHBondContact O-OG1 3.13Å; Q641-T643 PolarHBondContact O-N 3.42Å; Q641-T643 VanDerWaalsContact O-N 3.1Å; T643-E645 PolarHBondContact O-N 3.13Å; T643-E645 PolarHBondContact OG1-N 3.42Å; T643-S646 WeakPolarHBondContact O-CB 3.39Å; T643-S646 PolarHBondContact O-N 3.3Å; T643-S646 PolarHBondContact O-OG 2.82Å; T643-Y683 HydrophobicContact CG2-CD2 4Å; T643-Y683 HydrophobicContact CG2-CE2 3.87Å
644M89Confident90.5Very high1 Ų112.7 Ų12.71%0.0056%0.06CC..Hα-helixtrans-49-29.8170.9-169.6-173.9-71.500113.7Y334 L356 F360 L363 W367 S646 V647 I648 L680 Y681Y334-M644 PolarHBondContact OH-N 2.99Å; L356-M644 HydrophobicContact CD1-CE 4.1Å; L356-M644 HydrophobicContact CD1-SD 4.31Å; F360-M644 HydrophobicContact CB-SD 3.92Å; F360-M644 HydrophobicContact CD2-SD 3.98Å; F360-M644 HydrophobicContact CG-SD 4.46Å; L363-M644 HydrophobicContact CD1-CE 3.86Å; W367-M644 HydrophobicContact CH2-CB 3.88Å; W367-M644 HydrophobicContact CH2-CG 4.49Å; W367-M644 HydrophobicContact CZ3-CB 3.82Å; M644-S646 VanDerWaalsContact C-N 3.32Å; M644-S646 PolarHBondContact O-N 2.96Å; M644-V647 PolarHBondContact O-N 2.86Å; M644-I648 HydrophobicContact CG-CD1 4.01Å; M644-I648 HydrophobicContact CG-CG1 4.48Å; M644-I648 VanDerWaalsContact O-CG1 3.3Å; M644-I648 WeakPolarHBondContact O-CG1 3.47Å; M644-I648 PolarHBondContact O-N 3.11Å; M644-I648 HydrophobicContact SD-CD1 4.49Å; M644-L680 VanDerWaalsContact CB-O 3.3Å; M644-L680 WeakPolarHBondContact CB-O 3.24Å; M644-L680 HydrophobicContact CE-CB 4.32Å; M644-L680 WeakPolarHBondContact CE-O 3.5Å; M644-L680 HydrophobicContact CG-CB 4.34Å; M644-L680 HydrophobicContact CG-CD2 3.95Å; M644-L680 WeakPolarHBondContact CG-O 3.37Å; M644-Y681 HydrophobicContact CE-CD1 3.99Å; M644-Y681 HydrophobicContact CE-CE1 3.89Å; M644-Y681 HydrophobicContact CE-CG 4.42Å
645E91.8Very high90.2Very high1 Ų110.9 Ų10.91%0.0055%0.053CC..Hα-helixtrans-63.4-36.1175.8-166.3175.1-133.900112.7W367 K501 D609 A610 A640 T643 I648 Y649W367-E645 HydrophobicContact CD2-CB 4.36Å; W367-E645 HydrophobicContact CH2-CB 4.31Å; W367-E645 HydrophobicContact CZ2-CB 3.73Å; W367-E645 HydrophobicContact CZ2-CG 4.35Å; W367-E645 PolarHBondContact NE1-OE1 2.9Å; K501-E645 WeakPolarHBondContact CE-OE2 3.34Å; K501-E645 IonicContact NZ-OE1 3.83Å; K501-E645 PolarHBondContact NZ-OE1 3.3Å; K501-E645 IonicContact NZ-OE2 3.09Å; K501-E645 PolarHBondContact NZ-OE2 3.41Å; D609-E645 WeakPolarHBondContact CA-OE1 3.44Å; A610-E645 HydrophobicContact CB-CG 3.94Å; A610-E645 PolarHBondContact N-OE1 2.95Å; A610-E645 VanDerWaalsContact N-OE1 3.1Å; A640-E645 HydrophobicContact CB-CB 4.41Å; A640-E645 WeakPolarHBondContact CB-OE2 3.32Å; A640-E645 PolarHBondContact N-OE2 3Å; T643-E645 PolarHBondContact O-N 3.13Å; T643-E645 PolarHBondContact OG1-N 3.42Å; E645-I648 PolarHBondContact O-N 3.1Å; E645-Y649 WeakPolarHBondContact O-CB 3.39Å; E645-Y649 PolarHBondContact O-N 3.18Å
646S89.6Confident89.9Confident23 Ų2311.6 Ų11.616%0.1616%0.057CC..Hα-helixtrans-68.7-35.5177.370.50000112.4T643 M644 Y649 G650T643-S646 WeakPolarHBondContact O-CB 3.39Å; T643-S646 PolarHBondContact O-N 3.3Å; T643-S646 PolarHBondContact O-OG 2.82Å; M644-S646 VanDerWaalsContact C-N 3.32Å; M644-S646 PolarHBondContact O-N 2.96Å; S646-Y649 PolarHBondContact O-N 3.41Å; S646-G650 PolarHBondContact O-N 2.85Å
647V86.9Confident89.6Confident20 Ų2010 Ų1012%0.1215%0.052CC..Hα-helixtrans-69.4-42.7174.4-172.70000110.8M644 Y649 G650 R651 L677 L680M644-V647 PolarHBondContact O-N 2.86Å; V647-Y649 VanDerWaalsContact C-N 3.31Å; V647-Y649 PolarHBondContact O-N 2.75Å; V647-G650 PolarHBondContact O-N 3.19Å; V647-R651 WeakPolarHBondContact O-CG 3.44Å; V647-R651 PolarHBondContact O-N 3.14Å; V647-L677 HydrophobicContact CG1-CD2 4.3Å; V647-L680 HydrophobicContact CB-CD2 4.04Å; V647-L680 HydrophobicContact CG1-CD2 3.66Å; V647-L680 HydrophobicContact CG1-CG 4.35Å
648I88.8Confident89.3Confident1 Ų110.4 Ų10.41%0.0055%0.054CC..Hα-helixtrans-60.6-42.3173.8-69.4164.3000110.6F360 W612 M644 E645 R651 Q652F360-I648 HydrophobicContact CD2-CD1 3.38Å; F360-I648 HydrophobicContact CE2-CD1 3.24Å; F360-I648 HydrophobicContact CG-CD1 4.48Å; F360-I648 HydrophobicContact CZ-CD1 4.24Å; W612-I648 HydrophobicContact CD2-CD1 4.41Å; W612-I648 HydrophobicContact CD2-CG1 4.35Å; W612-I648 HydrophobicContact CD2-CG2 4.4Å; W612-I648 HydrophobicContact CE3-CG1 4.43Å; W612-I648 HydrophobicContact CH2-CD1 4.06Å; W612-I648 HydrophobicContact CH2-CG1 3.82Å; W612-I648 HydrophobicContact CZ2-CD1 3.43Å; W612-I648 VanDerWaalsContact CZ2-CD1 3.43Å; W612-I648 HydrophobicContact CZ2-CG1 3.71Å; W612-I648 HydrophobicContact CZ3-CG1 4.18Å; M644-I648 HydrophobicContact CG-CD1 4.01Å; M644-I648 HydrophobicContact CG-CG1 4.48Å; M644-I648 VanDerWaalsContact O-CG1 3.3Å; M644-I648 WeakPolarHBondContact O-CG1 3.47Å; M644-I648 PolarHBondContact O-N 3.11Å; M644-I648 HydrophobicContact SD-CD1 4.49Å; E645-I648 PolarHBondContact O-N 3.1Å; I648-R651 WeakPolarHBondContact O-CB 3.4Å; I648-R651 PolarHBondContact O-N 2.99Å; I648-Q652 WeakPolarHBondContact O-CG 3.48Å; I648-Q652 PolarHBondContact O-N 3.37Å
649Y90.8Very high88.9Confident0 Ų011.3 Ų11.30%06%0.062CC..Hα-helixtrans-60.6-44.6173.8174.7-105.5000112.2I321 I639 E645 S646 V647 R651 Q652 V653 H708 L711I321-Y649 HydrophobicContact CD1-CE1 3.73Å; I321-Y649 HydrophobicContact CD1-CE2 3.57Å; I321-Y649 WeakPolarHBondContact CD1-OH 3.42Å; I321-Y649 HydrophobicContact CG2-CE1 4.47Å; I639-Y649 HydrophobicContact CD1-CD2 4.09Å; I639-Y649 HydrophobicContact CD1-CG 3.9Å; I639-Y649 HydrophobicContact CG1-CG 4.14Å; E645-Y649 WeakPolarHBondContact O-CB 3.39Å; E645-Y649 PolarHBondContact O-N 3.18Å; S646-Y649 PolarHBondContact O-N 3.41Å; V647-Y649 VanDerWaalsContact C-N 3.31Å; V647-Y649 PolarHBondContact O-N 2.75Å; Y649-R651 VanDerWaalsContact C-N 3.31Å; Y649-R651 PolarHBondContact O-N 2.91Å; Y649-Q652 VanDerWaalsContact O-CB 3.3Å; Y649-Q652 WeakPolarHBondContact O-CB 3.18Å; Y649-Q652 PolarHBondContact O-N 2.93Å; Y649-V653 HydrophobicContact CE1-CG2 3.84Å; Y649-V653 HydrophobicContact CE2-CG2 3.78Å; Y649-V653 PolarHBondContact O-N 3.43Å; Y649-V653 VanDerWaalsContact O-N 3.12Å; Y649-V653 WeakPolarHBondContact OH-CG2 3.48Å; Y649-H708 AromaticContact CZ-ND1 3.95Å; Y649-H708 PolarHBondContact OH-ND1 3.37Å; Y649-L711 HydrophobicContact CE1-CD1 4.48Å
650G88.9Confident88.6Confident0 Ų013.6 Ų13.60%07%0.071CC..Hα-helixtrans-57-43.4173.200000112.8S646 V647 Q652 V653 V654S646-G650 PolarHBondContact O-N 2.85Å; V647-G650 PolarHBondContact O-N 3.19Å; G650-Q652 VanDerWaalsContact C-N 3.34Å; G650-Q652 PolarHBondContact O-N 2.96Å; G650-V653 PolarHBondContact O-N 2.93Å; G650-V654 PolarHBondContact O-N 3.16Å; G650-V654 VanDerWaalsContact O-N 3.1Å
651R86.6Confident88.4Confident26 Ų2613.8 Ų13.810%0.0987%0.071CC..Hα-helixtrans-62.4-35.5172.8-67.5-179.7177-155.14.3112.9D451 V647 I648 Y649 V654 K655 L677D451-R651 PolarHBondContact O-NH1 3.28Å; V647-R651 WeakPolarHBondContact O-CG 3.44Å; V647-R651 PolarHBondContact O-N 3.14Å; I648-R651 WeakPolarHBondContact O-CB 3.4Å; I648-R651 PolarHBondContact O-N 2.99Å; Y649-R651 VanDerWaalsContact C-N 3.31Å; Y649-R651 PolarHBondContact O-N 2.91Å; R651-V654 PolarHBondContact O-N 3.15Å; R651-K655 WeakPolarHBondContact O-CG 3.44Å; R651-K655 PolarHBondContact O-N 3.07Å; R651-K655 VanDerWaalsContact O-N 3.08Å; R651-L677 HydrophobicContact CG-CB 4.26Å; R651-L677 HydrophobicContact CG-CD1 4.32Å; R651-L677 HydrophobicContact CG-CD2 4.17Å; R651-L677 HydrophobicContact CG-CG 4.49Å; R651-L677 VanDerWaalsContact CZ-O 3.23Å; R651-L677 PolarHBondContact NE-O 3.2Å; R651-L677 PolarHBondContact NH2-O 3.49Å
652Q88.9Confident88.4Confident1 Ų113 Ų131%0.0057%0.067CC..Hα-helixtrans-59.9-46.5173.3-67.3-172.1-49.600111.2N611 P614 E617 I648 Y649 G650 K655 Q656N611-Q652 WeakPolarHBondContact O-CG 3.46Å; N611-Q652 PolarHBondContact O-NE2 3.01Å; P614-Q652 HydrophobicContact CB-CB 4.1Å; P614-Q652 HydrophobicContact CB-CG 4.23Å; P614-Q652 HydrophobicContact CG-CB 4.12Å; P614-Q652 HydrophobicContact CG-CG 4.41Å; E617-Q652 VanDerWaalsContact CD-NE2 3.27Å; E617-Q652 PolarHBondContact OE1-NE2 3.23Å; E617-Q652 PolarHBondContact OE2-NE2 3.12Å; I648-Q652 WeakPolarHBondContact O-CG 3.48Å; I648-Q652 PolarHBondContact O-N 3.37Å; Y649-Q652 VanDerWaalsContact O-CB 3.3Å; Y649-Q652 WeakPolarHBondContact O-CB 3.18Å; Y649-Q652 PolarHBondContact O-N 2.93Å; G650-Q652 VanDerWaalsContact C-N 3.34Å; G650-Q652 PolarHBondContact O-N 2.96Å; Q652-K655 PolarHBondContact O-N 2.77Å; Q652-Q656 WeakPolarHBondContact O-CG 3.42Å; Q652-Q656 PolarHBondContact O-N 3.48Å; Q652-Q656 PolarHBondContact O-OE1 3.19Å
653V89Confident88.5Confident3 Ų311.1 Ų11.12%0.0186%0.059CC..Hα-helixtrans-63.3-43.3-179.6-178.70000111.2Y649 G650 K655 Q656 S657 F672 L711 L712Y649-V653 HydrophobicContact CE1-CG2 3.84Å; Y649-V653 HydrophobicContact CE2-CG2 3.78Å; Y649-V653 PolarHBondContact O-N 3.43Å; Y649-V653 VanDerWaalsContact O-N 3.12Å; Y649-V653 WeakPolarHBondContact OH-CG2 3.48Å; G650-V653 PolarHBondContact O-N 2.93Å; V653-K655 VanDerWaalsContact C-N 3.34Å; V653-K655 PolarHBondContact O-N 2.95Å; V653-Q656 PolarHBondContact O-N 2.89Å; V653-S657 WeakPolarHBondContact O-CB 3.48Å; V653-S657 PolarHBondContact O-N 3.12Å; V653-F672 HydrophobicContact CB-CE2 3.74Å; V653-F672 HydrophobicContact CB-CZ 4.46Å; V653-F672 HydrophobicContact CG1-CE2 3.88Å; V653-F672 HydrophobicContact CG2-CE2 4.2Å; V653-F672 HydrophobicContact CG2-CZ 4.47Å; V653-L711 HydrophobicContact CG1-CB 4.11Å; V653-L711 HydrophobicContact CG1-CD1 4.37Å; V653-L711 HydrophobicContact CG2-CD1 4.23Å; V653-L712 HydrophobicContact CG1-CD2 4.14Å
654V87.8Confident88.3Confident21 Ų2112.6 Ų12.613%0.1277%0.067CC..Hα-helixtrans-61.4-41.5175.9175.10000111.6G650 R651 Q656 S657 L658 F672 L677G650-V654 PolarHBondContact O-N 3.16Å; G650-V654 VanDerWaalsContact O-N 3.1Å; R651-V654 PolarHBondContact O-N 3.15Å; V654-Q656 PolarHBondContact O-N 2.88Å; V654-S657 PolarHBondContact O-N 2.96Å; V654-S657 PolarHBondContact O-OG 3.07Å; V654-S657 VanDerWaalsContact O-OG 3.05Å; V654-L658 WeakPolarHBondContact O-CB 3.36Å; V654-L658 PolarHBondContact O-N 3.36Å; V654-F672 HydrophobicContact CG2-CB 4.3Å; V654-F672 HydrophobicContact CG2-CD2 4Å; V654-L677 HydrophobicContact CB-CD1 4.5Å; V654-L677 HydrophobicContact CG2-CD1 3.69Å
655K86.8Confident88.1Confident21 Ų2114 Ų149%0.0918%0.075CC..Hα-helixtrans-63-41.2174.5-71.6175.4-178.8-175.10112.5D451 W612 R651 Q652 V653 A659D451-K655 WeakPolarHBondContact OD1-CE 3.5Å; D451-K655 IonicContact OD1-NZ 2.86Å; D451-K655 PolarHBondContact OD1-NZ 2.91Å; D451-K655 IonicContact OD2-NZ 3.32Å; W612-K655 PolarHBondContact O-NZ 3.37Å; R651-K655 WeakPolarHBondContact O-CG 3.44Å; R651-K655 PolarHBondContact O-N 3.07Å; R651-K655 VanDerWaalsContact O-N 3.08Å; Q652-K655 PolarHBondContact O-N 2.77Å; V653-K655 VanDerWaalsContact C-N 3.34Å; V653-K655 PolarHBondContact O-N 2.95Å; K655-A659 PolarHBondContact O-N 3.18Å; K655-A659 VanDerWaalsContact O-N 3.16Å
656Q88.3Confident87.9Confident17 Ų1717.2 Ų17.28%0.0799%0.087CC..Hα-helixtrans-65.8-46175.3-72.7169.6-71.400111.3P614 Q652 V653 V654 L658 A659 Y660 H708 L712P614-Q656 HydrophobicContact CB-CG 4.15Å; P614-Q656 HydrophobicContact CG-CG 3.81Å; Q652-Q656 WeakPolarHBondContact O-CG 3.42Å; Q652-Q656 PolarHBondContact O-N 3.48Å; Q652-Q656 PolarHBondContact O-OE1 3.19Å; V653-Q656 PolarHBondContact O-N 2.89Å; V654-Q656 PolarHBondContact O-N 2.88Å; Q656-L658 VanDerWaalsContact C-N 3.33Å; Q656-L658 PolarHBondContact O-N 3.34Å; Q656-A659 WeakPolarHBondContact O-CA 3.5Å; Q656-A659 WeakPolarHBondContact O-CB 3.5Å; Q656-A659 PolarHBondContact O-N 3.47Å; Q656-Y660 HydrophobicContact CB-CE2 4.36Å; Q656-Y660 WeakPolarHBondContact O-CD2 3.44Å; Q656-Y660 PolarHBondContact O-N 2.89Å; Q656-H708 PolarHBondContact NE2-NE2 2.92Å; Q656-H708 VanDerWaalsContact NE2-NE2 3.12Å; Q656-H708 PolarHBondContact OE1-CE1 2.75Å; Q656-H708 VanDerWaalsContact OE1-CE1 3.31Å; Q656-H708 PolarHBondContact OE1-NE2 3.03Å; Q656-L712 HydrophobicContact CB-CD1 4.26Å; Q656-L712 HydrophobicContact CB-CD2 3.95Å
657S88.3Confident87.7Confident6 Ų616.5 Ų16.54%0.0428%0.081CC..Hα-helixtrans-63.6-38.7-179.376.60000111.8V653 V654 A659 Y660 R661V653-S657 WeakPolarHBondContact O-CB 3.48Å; V653-S657 PolarHBondContact O-N 3.12Å; V654-S657 PolarHBondContact O-N 2.96Å; V654-S657 PolarHBondContact O-OG 3.07Å; V654-S657 VanDerWaalsContact O-OG 3.05Å; S657-A659 PolarHBondContact O-N 2.78Å; S657-Y660 PolarHBondContact O-N 2.97Å; S657-R661 WeakPolarHBondContact O-CB 3.37Å; S657-R661 VanDerWaalsContact O-CG 3.23Å; S657-R661 WeakPolarHBondContact O-CG 3.3Å; S657-R661 PolarHBondContact O-N 3.22Å
658L88.8Confident87.6Confident13 Ų1315.7 Ų15.77%0.0688%0.075CC..Hα-helixtrans-58.6-43.5169.7169.253.6000112.4L238 L242 I271 Q275 V654 Q656 V662L238-L658 HydrophobicContact CD1-CD1 4.41Å; L238-L658 HydrophobicContact CD1-CG 4.03Å; L238-L658 HydrophobicContact CD2-CD2 4.3Å; L238-L658 HydrophobicContact CD2-CG 4.16Å; L242-L658 HydrophobicContact CD1-CD1 4.04Å; L242-L658 HydrophobicContact CD2-CD1 4.09Å; L242-L658 HydrophobicContact CG-CD1 4.01Å; L242-L658 HydrophobicContact CG-CD2 4.38Å; I271-L658 HydrophobicContact CG2-CD1 3.77Å; Q275-L658 VanDerWaalsContact NE2-CD1 3.25Å; V654-L658 WeakPolarHBondContact O-CB 3.36Å; V654-L658 PolarHBondContact O-N 3.36Å; Q656-L658 VanDerWaalsContact C-N 3.33Å; Q656-L658 PolarHBondContact O-N 3.34Å; L658-V662 HydrophobicContact CD1-CG2 3.92Å; L658-V662 PolarHBondContact O-N 3.49Å
659A87.3Confident87.4Confident20 Ų2020.8 Ų20.817%0.16510%0.099CC..Hα-helixtrans-60.6-51.1176.700000111.2L238 K655 Q656 S657 V662 V663L238-A659 HydrophobicContact CB-CB 4.08Å; L238-A659 HydrophobicContact CD2-CB 4.1Å; K655-A659 PolarHBondContact O-N 3.18Å; K655-A659 VanDerWaalsContact O-N 3.16Å; Q656-A659 WeakPolarHBondContact O-CA 3.5Å; Q656-A659 WeakPolarHBondContact O-CB 3.5Å; Q656-A659 PolarHBondContact O-N 3.47Å; S657-A659 PolarHBondContact O-N 2.78Å; A659-V662 PolarHBondContact O-N 3.22Å; A659-V663 WeakPolarHBondContact O-CB 3.32Å; A659-V663 WeakPolarHBondContact O-CG2 3.3Å; A659-V663 PolarHBondContact O-N 3.27Å
660Y87.8Confident87.2Confident48 Ų4824.2 Ų24.219%0.18811%0.112CC..Hα-helixtrans-63-43178.1-70.1-69.4000112.7Q656 S657 V662 D664 D665 W666 I668 L712Q656-Y660 HydrophobicContact CB-CE2 4.36Å; Q656-Y660 WeakPolarHBondContact O-CD2 3.44Å; Q656-Y660 PolarHBondContact O-N 2.89Å; S657-Y660 PolarHBondContact O-N 2.97Å; Y660-V662 VanDerWaalsContact C-N 3.32Å; Y660-V662 PolarHBondContact O-N 3.26Å; Y660-D664 HydrophobicContact CD1-CB 4.46Å; Y660-D664 WeakPolarHBondContact CD1-OD2 3.34Å; Y660-D664 CarbonylContact O-C 3.55Å; Y660-D664 WeakPolarHBondContact O-CA 3.39Å; Y660-D664 WeakPolarHBondContact O-CB 3.24Å; Y660-D664 PolarHBondContact O-N 2.99Å; Y660-D665 PolarHBondContact O-N 2.81Å; Y660-W666 HydrophobicContact CD1-CD2 4.32Å; Y660-W666 AromaticContact CD1-CE3 3.78Å; Y660-W666 HydrophobicContact CD1-CE3 3.78Å; Y660-W666 HydrophobicContact CD1-CH2 4.26Å; Y660-W666 AromaticContact CD1-CZ3 3.75Å; Y660-W666 HydrophobicContact CD1-CZ3 3.75Å; Y660-W666 HydrophobicContact CE1-CE3 4.45Å; Y660-W666 HydrophobicContact CE1-CH2 4.27Å; Y660-W666 AromaticContact CE1-CZ3 3.96Å; Y660-W666 HydrophobicContact CE1-CZ3 3.96Å; Y660-W666 AromaticContact CG-CE3 3.99Å; Y660-W666 HydrophobicContact CG-CE3 3.99Å; Y660-W666 HydrophobicContact CG-CZ3 4.26Å; Y660-W666 PolarHBondContact O-N 3.36Å; Y660-I668 HydrophobicContact CD2-CD1 4.07Å; Y660-I668 HydrophobicContact CG-CD1 4.11Å; Y660-L712 HydrophobicContact CD2-CD2 4.29Å; Y660-L712 HydrophobicContact CE2-CD1 4.15Å; Y660-L712 HydrophobicContact CE2-CD2 4.41Å
661R89Confident86.8Confident5 Ų527.1 Ų27.12%0.01913%0.126CC..Hα-helixtrans-58.6-38.3178.8-76.9174.9-174.8-178.813.3113.6M287 S291 S657 D665 W666 I668 E669 R670M287-R661 PolarHBondContact SD-NH1 2.92Å; S291-R661 PolarHBondContact OG-O 2.9Å; S657-R661 WeakPolarHBondContact O-CB 3.37Å; S657-R661 VanDerWaalsContact O-CG 3.23Å; S657-R661 WeakPolarHBondContact O-CG 3.3Å; S657-R661 PolarHBondContact O-N 3.22Å; R661-D665 WeakPolarHBondContact O-CA 3.49Å; R661-W666 WeakPolarHBondContact CA-O 3.42Å; R661-W666 VanDerWaalsContact CG-O 3.25Å; R661-W666 WeakPolarHBondContact CG-O 3.45Å; R661-I668 PolarHBondContact NH2-O 3.08Å; R661-E669 PolarHBondContact NH2-O 3.36Å; R661-R670 VanDerWaalsContact NH2-CG 3.34Å
662V88Confident86.5Confident0 Ų027.9 Ų27.90%013%0.13CC..Hα-helixtrans-93.2-34.4-176.5171.60000112.7L242 Y245 I271 S291 L294 H295 L658 A659 Y660L242-V662 HydrophobicContact CD2-CB 4.37Å; L242-V662 HydrophobicContact CD2-CG1 4.04Å; L242-V662 HydrophobicContact CD2-CG2 4.01Å; Y245-V662 HydrophobicContact CD1-CG1 4.46Å; Y245-V662 HydrophobicContact CE1-CG1 4.22Å; I271-V662 HydrophobicContact CD1-CG2 4.27Å; S291-V662 WeakPolarHBondContact OG-CG2 3.28Å; L294-V662 HydrophobicContact CD2-CG1 3.68Å; L294-V662 HydrophobicContact CG-CG1 4.17Å; H295-V662 PolarHBondContact ND1-O 2.9Å; L658-V662 HydrophobicContact CD1-CG2 3.92Å; L658-V662 PolarHBondContact O-N 3.49Å; A659-V662 PolarHBondContact O-N 3.22Å; Y660-V662 VanDerWaalsContact C-N 3.32Å; Y660-V662 PolarHBondContact O-N 3.26Å
663V86.2Confident86Confident5 Ų528.4 Ų28.43%0.0313%0.133CC..Hα-helixtrans-92.8-38.3-172179.60000111.9P237 H295 R304 A659P237-V663 HydrophobicContact CG-CB 4.29Å; P237-V663 HydrophobicContact CG-CG1 3.53Å; P237-V663 HydrophobicContact CG-CG2 3.73Å; H295-V663 PolarHBondContact CE1-O 3.46Å; H295-V663 PolarHBondContact ND1-O 3.41Å; R304-V663 HydrophobicContact CB-CG1 4.42Å; R304-V663 HydrophobicContact CG-CG1 3.9Å; A659-V663 WeakPolarHBondContact O-CB 3.32Å; A659-V663 WeakPolarHBondContact O-CG2 3.3Å; A659-V663 PolarHBondContact O-N 3.27Å
664D85.4Confident85.2Confident32 Ų3228.9 Ų28.917%0.17114%0.139CC..THydrogen-bonded Turntrans-108-1.2-175.6-62.9-67.6000112.4R304 Y660 W666R304-D664 WeakPolarHBondContact CD-OD1 3.28Å; R304-D664 WeakPolarHBondContact CG-OD1 3.5Å; R304-D664 IonicContact CZ-OD1 2.67Å; R304-D664 IonicContact CZ-OD2 3.75Å; R304-D664 IonicContact NE-OD1 3.73Å; R304-D664 PolarHBondContact NE-OD1 2.86Å; R304-D664 IonicContact NE-OD2 2.84Å; R304-D664 PolarHBondContact NE-OD2 3.28Å; R304-D664 IonicContact NH2-OD1 2.67Å; R304-D664 IonicContact NH2-OD2 2.72Å; R304-D664 PolarHBondContact NH2-OD2 2.88Å; Y660-D664 HydrophobicContact CD1-CB 4.46Å; Y660-D664 WeakPolarHBondContact CD1-OD2 3.34Å; Y660-D664 CarbonylContact O-C 3.55Å; Y660-D664 WeakPolarHBondContact O-CA 3.39Å; Y660-D664 WeakPolarHBondContact O-CB 3.24Å; Y660-D664 PolarHBondContact O-N 2.99Å; D664-W666 HydrophobicContact CB-CD2 4.27Å; D664-W666 HydrophobicContact CB-CG 4.11Å; D664-W666 PolarHBondContact O-N 2.89Å
665D85Confident84.5Confident32 Ų3231.1 Ų31.117%0.17116%0.156CC..  trans56.727.1-176.6-147.216.4000114.1H292 Y660 R661H292-D665 IonicContact CE1-OD2 3.4Å; H292-D665 IonicContact CG-OD2 3.07Å; H292-D665 IonicContact ND1-OD2 2.76Å; H292-D665 PolarHBondContact ND1-OD2 2.87Å; Y660-D665 PolarHBondContact O-N 2.81Å; R661-D665 WeakPolarHBondContact O-CA 3.49Å
666W87.2Confident83.9Confident68 Ų6834.7 Ų34.726%0.25818%0.176SC..  trans-77.2151.1-179.9-68.45.6000112.1Y660 R661 D664 I668 N714Y660-W666 HydrophobicContact CD1-CD2 4.32Å; Y660-W666 AromaticContact CD1-CE3 3.78Å; Y660-W666 HydrophobicContact CD1-CE3 3.78Å; Y660-W666 HydrophobicContact CD1-CH2 4.26Å; Y660-W666 AromaticContact CD1-CZ3 3.75Å; Y660-W666 HydrophobicContact CD1-CZ3 3.75Å; Y660-W666 HydrophobicContact CE1-CE3 4.45Å; Y660-W666 HydrophobicContact CE1-CH2 4.27Å; Y660-W666 AromaticContact CE1-CZ3 3.96Å; Y660-W666 HydrophobicContact CE1-CZ3 3.96Å; Y660-W666 AromaticContact CG-CE3 3.99Å; Y660-W666 HydrophobicContact CG-CE3 3.99Å; Y660-W666 HydrophobicContact CG-CZ3 4.26Å; Y660-W666 PolarHBondContact O-N 3.36Å; R661-W666 WeakPolarHBondContact CA-O 3.42Å; R661-W666 VanDerWaalsContact CG-O 3.25Å; R661-W666 WeakPolarHBondContact CG-O 3.45Å; D664-W666 HydrophobicContact CB-CD2 4.27Å; D664-W666 HydrophobicContact CB-CG 4.11Å; D664-W666 PolarHBondContact O-N 2.89Å; W666-I668 HydrophobicContact CB-CG1 4.36Å; W666-I668 HydrophobicContact CE3-CD1 4.42Å; W666-N714 WeakPolarHBondContact CA-OD1 3.23Å; W666-N714 HydrophobicContact CB-CB 4.05Å; W666-N714 HydrophobicContact CD2-CB 3.82Å; W666-N714 HydrophobicContact CE3-CB 4.09Å; W666-N714 HydrophobicContact CG-CB 3.79Å
667Q86.2Confident83Confident7 Ų734.4 Ų34.43%0.03318%0.175CC..  trans-104.8122.7165.6-56.6-55.1-43.200108N714 I715 E718 T719Q667-N714 PolarHBondContact N-OD1 2.94Å; Q667-N714 CarbonylContact O-C 3.48Å; Q667-N714 VanDerWaalsContact O-CA 3.31Å; Q667-N714 WeakPolarHBondContact O-CA 3.3Å; Q667-N714 PolarHBondContact O-OD1 2.84Å; Q667-I715 PolarHBondContact O-N 2.96Å; Q667-E718 HydrophobicContact CB-CB 3.84Å; Q667-E718 HydrophobicContact CG-CB 4.28Å; Q667-T719 HydrophobicContact CG-CG2 4.01Å
668I84.4Confident82.1Confident3 Ų337.9 Ų37.92%0.01519%0.193CC..  trans-121.9143.2-176-66170.9000106.9Y660 R661 W666 L711 L712Y660-I668 HydrophobicContact CD2-CD1 4.07Å; Y660-I668 HydrophobicContact CG-CD1 4.11Å; R661-I668 PolarHBondContact NH2-O 3.08Å; W666-I668 HydrophobicContact CB-CG1 4.36Å; W666-I668 HydrophobicContact CE3-CD1 4.42Å; I668-L711 VanDerWaalsContact CG2-O 3.25Å; I668-L711 WeakPolarHBondContact CG2-O 3.39Å; I668-L712 HydrophobicContact CD1-CD2 4.34Å
669E84.8Confident81.5Confident108 Ų10840.6 Ų40.651%0.50521%0.207SC..  trans-57.8157.3178.5-150.7-172.4132.300112.2R661 H671 I715R661-E669 PolarHBondContact NH2-O 3.36Å; E669-H671 IonicContact OE1-CE1 2.83Å; E669-H671 IonicContact OE1-ND1 2.7Å; E669-H671 PolarHBondContact OE1-ND1 3.4Å; E669-H671 IonicContact OE2-CE1 3.3Å; E669-H671 PolarHBondContact OE2-CE1 2.84Å; E669-H671 VanDerWaalsContact OE2-CE1 3.26Å; E669-H671 IonicContact OE2-ND1 2.87Å; E669-I715 HydrophobicContact CB-CD1 3.97Å; E669-I715 HydrophobicContact CG-CD1 4.36Å
670R86Confident80.9Confident73 Ų7340 Ų4028%0.27520%0.201SC..  trans-105.187.9-178.4-63.5175.3-62.5125.1-1.1108.7G274 Q275 M276 S277 S279 V284 R661G274-R670 WeakPolarHBondContact O-CD 3.12Å; Q275-R670 WeakPolarHBondContact O-CG 3.39Å; M276-R670 WeakPolarHBondContact O-CD 3.42Å; M276-R670 PolarHBondContact O-NH1 3.16Å; S277-R670 WeakPolarHBondContact CB-O 3.32Å; S277-R670 PolarHBondContact O-NH1 3.27Å; S279-R670 PolarHBondContact O-NH1 3.3Å; V284-R670 VanDerWaalsContact CG2-CZ 3.43Å; R661-R670 VanDerWaalsContact NH2-CG 3.34Å
671H80.2Confident80.4Confident61 Ų6139.8 Ų39.828%0.28220%0.2SC..  trans-85.4-13.9-171.4-59.1-64.3000115.7E669 L711E669-H671 IonicContact OE1-CE1 2.83Å; E669-H671 IonicContact OE1-ND1 2.7Å; E669-H671 PolarHBondContact OE1-ND1 3.4Å; E669-H671 IonicContact OE2-CE1 3.3Å; E669-H671 PolarHBondContact OE2-CE1 2.84Å; E669-H671 VanDerWaalsContact OE2-CE1 3.26Å; E669-H671 IonicContact OE2-ND1 2.87Å; H671-L711 WeakPolarHBondContact NE2-CA 3.36Å; H671-L711 WeakPolarHBondContact NE2-CD2 3.44Å
672F80.7Confident79.7Confident41 Ų4141.5 Ų41.518%0.1821%0.213CC..  trans-128.6135.1-170.5-58.5-80.8000111.9M276 S277 V653 V654 L677M276-F672 WeakPolarHBondContact CA-O 3.35Å; S277-F672 PolarHBondContact N-O 2.79Å; S277-F672 VanDerWaalsContact OG-C 3.27Å; S277-F672 PolarHBondContact OG-O 3.48Å; V653-F672 HydrophobicContact CB-CE2 3.74Å; V653-F672 HydrophobicContact CB-CZ 4.46Å; V653-F672 HydrophobicContact CG1-CE2 3.88Å; V653-F672 HydrophobicContact CG2-CE2 4.2Å; V653-F672 HydrophobicContact CG2-CZ 4.47Å; V654-F672 HydrophobicContact CG2-CB 4.3Å; V654-F672 HydrophobicContact CG2-CD2 4Å; F672-L677 HydrophobicContact CB-CD1 3.69Å; F672-L677 HydrophobicContact CB-CD2 4.13Å; F672-L677 HydrophobicContact CB-CG 3.9Å; F672-L677 HydrophobicContact CD1-CD2 4.13Å; F672-L677 HydrophobicContact CG-CD1 4.35Å; F672-L677 HydrophobicContact CG-CD2 4.26Å
673S78Confident79.2Confident12 Ų1243 Ų438%0.08422%0.219CC..  trans-78.9154.1176.8-177.10000111.6S277 D278 S675 D676 L677S277-S673 VanDerWaalsContact OG-CA 3.23Å; S277-S673 WeakPolarHBondContact OG-CA 2.95Å; S277-S673 PolarHBondContact OG-N 2.81Å; S277-S673 VanDerWaalsContact OG-N 3.14Å; D278-S673 VanDerWaalsContact CG-OG 3.31Å; D278-S673 WeakPolarHBondContact OD1-CA 3.46Å; D278-S673 PolarHBondContact OD1-OG 3.15Å; D278-S673 PolarHBondContact OD2-OG 3.39Å; S673-S675 WeakPolarHBondContact CB-OG 3.45Å; S673-S675 PolarHBondContact OG-N 3.03Å; S673-S675 PolarHBondContact OG-OG 2.84Å; S673-D676 WeakPolarHBondContact CB-OD2 3.44Å; S673-D676 PolarHBondContact O-N 3.06Å; S673-L677 PolarHBondContact O-N 2.57Å
674G73.8Confident78.6Confident14 Ų1445.3 Ų45.314%0.14423%0.231CC..Hα-helixtrans-50.8-55.5164.800000111.4D278 D676 L677 L678D278-G674 PolarHBondContact OD1-N 3.29Å; D278-G674 PolarHBondContact OD2-N 3.01Å; G674-D676 VanDerWaalsContact C-N 3.32Å; G674-D676 PolarHBondContact O-N 3.44Å; G674-L677 PolarHBondContact O-N 3.23Å; G674-L678 VanDerWaalsContact O-CG 3.29Å; G674-L678 WeakPolarHBondContact O-CG 3.4Å; G674-L678 PolarHBondContact O-N 3.19Å
675S73.2Confident77.6Confident67 Ų6747 Ų4747%0.46924%0.244SC..Hα-helixtrans-50.1-49.9178.952.40000113.1S673 L677 L678 D679S673-S675 WeakPolarHBondContact CB-OG 3.45Å; S673-S675 PolarHBondContact OG-N 3.03Å; S673-S675 PolarHBondContact OG-OG 2.84Å; S675-L677 VanDerWaalsContact C-N 3.32Å; S675-L677 PolarHBondContact O-N 3.35Å; S675-L678 PolarHBondContact O-N 3.38Å; S675-L678 VanDerWaalsContact O-N 3.09Å; S675-D679 PolarHBondContact O-N 2.94Å; S675-D679 VanDerWaalsContact O-N 3.12Å
676D73.6Confident76.5Confident96 Ų9651 Ų5151%0.51327%0.269SS..Hα-helixtrans-73.7-29.3-167.2-53.4-4.9000111.4S673 G674 L678S673-D676 WeakPolarHBondContact CB-OD2 3.44Å; S673-D676 PolarHBondContact O-N 3.06Å; G674-D676 VanDerWaalsContact C-N 3.32Å; G674-D676 PolarHBondContact O-N 3.44Å; D676-L678 VanDerWaalsContact C-N 3.32Å
677L69.4Low74.9Confident11 Ų1154.5 Ų54.56%0.05828%0.283CS..Hα-helixtrans-82.2-11.1174.6-63.8-172.9000113.3M276 V647 R651 V654 F672 S673 G674 S675M276-L677 HydrophobicContact CE-CB 4.48Å; M276-L677 HydrophobicContact CE-CD1 3.9Å; V647-L677 HydrophobicContact CG1-CD2 4.3Å; R651-L677 HydrophobicContact CG-CB 4.26Å; R651-L677 HydrophobicContact CG-CD1 4.32Å; R651-L677 HydrophobicContact CG-CD2 4.17Å; R651-L677 HydrophobicContact CG-CG 4.49Å; R651-L677 VanDerWaalsContact CZ-O 3.23Å; R651-L677 PolarHBondContact NE-O 3.2Å; R651-L677 PolarHBondContact NH2-O 3.49Å; V654-L677 HydrophobicContact CB-CD1 4.5Å; V654-L677 HydrophobicContact CG2-CD1 3.69Å; F672-L677 HydrophobicContact CB-CD1 3.69Å; F672-L677 HydrophobicContact CB-CD2 4.13Å; F672-L677 HydrophobicContact CB-CG 3.9Å; F672-L677 HydrophobicContact CD1-CD2 4.13Å; F672-L677 HydrophobicContact CG-CD1 4.35Å; F672-L677 HydrophobicContact CG-CD2 4.26Å; S673-L677 PolarHBondContact O-N 2.57Å; G674-L677 PolarHBondContact O-N 3.23Å; S675-L677 VanDerWaalsContact C-N 3.32Å; S675-L677 PolarHBondContact O-N 3.35Å
678L69Low73.1Confident80 Ų8058.3 Ų58.342%0.41930%0.303SS..Hα-helixtrans-90.8-31.9173.3-64.8-178.5000112.6L453 G674 S675 D676 L680L453-L678 HydrophobicContact CD2-CB 4.05Å; L453-L678 HydrophobicContact CD2-CD1 3.65Å; L453-L678 HydrophobicContact CD2-CD2 3.43Å; L453-L678 VanDerWaalsContact CD2-CD2 3.43Å; L453-L678 HydrophobicContact CD2-CG 3.86Å; L453-L678 HydrophobicContact CG-CD2 3.89Å; G674-L678 VanDerWaalsContact O-CG 3.29Å; G674-L678 WeakPolarHBondContact O-CG 3.4Å; G674-L678 PolarHBondContact O-N 3.19Å; S675-L678 PolarHBondContact O-N 3.38Å; S675-L678 VanDerWaalsContact O-N 3.09Å; D676-L678 VanDerWaalsContact C-N 3.32Å; L678-L680 VanDerWaalsContact C-N 3.3Å; L678-L680 PolarHBondContact O-N 3.24Å
679D75.5Confident71.1Confident69 Ų6964.3 Ų64.337%0.36934%0.34SS..  trans-74.974.4178.5-173.614.8000112.6S675 Y681 S682S675-D679 PolarHBondContact O-N 2.94Å; S675-D679 VanDerWaalsContact O-N 3.12Å; D679-Y681 VanDerWaalsContact C-N 3.35Å; D679-S682 WeakPolarHBondContact OD1-CB 3.36Å; D679-S682 PolarHBondContact OD1-N 3.05Å; D679-S682 PolarHBondContact OD1-OG 3.03Å; D679-S682 WeakPolarHBondContact OD2-CB 3.1Å; D679-S682 PolarHBondContact OD2-OG 3.22Å
680L75.8Confident68.8Low8 Ų868.3 Ų68.34%0.04236%0.356CS..  trans-76.5-16.7-177.8-76165.8000114.6L356 W612 M644 V647 L678L356-L680 HydrophobicContact CD1-CD1 3.88Å; L356-L680 HydrophobicContact CD2-CD1 3.96Å; W612-L680 HydrophobicContact CH2-CD2 4.36Å; M644-L680 VanDerWaalsContact CB-O 3.3Å; M644-L680 WeakPolarHBondContact CB-O 3.24Å; M644-L680 HydrophobicContact CE-CB 4.32Å; M644-L680 WeakPolarHBondContact CE-O 3.5Å; M644-L680 HydrophobicContact CG-CB 4.34Å; M644-L680 HydrophobicContact CG-CD2 3.95Å; M644-L680 WeakPolarHBondContact CG-O 3.37Å; V647-L680 HydrophobicContact CB-CD2 4.04Å; V647-L680 HydrophobicContact CG1-CD2 3.66Å; V647-L680 HydrophobicContact CG1-CG 4.35Å; L678-L680 VanDerWaalsContact C-N 3.3Å; L678-L680 PolarHBondContact O-N 3.24Å
681Y77.4Confident66.3Low44 Ų4468.8 Ų68.817%0.17338%0.375CS..SBendtrans-111-11.3-168.2-70.7-87.7000114L338 V342 L350 L356 D359 M644 D679L338-Y681 VanDerWaalsContact CD1-O 3.25Å; L338-Y681 WeakPolarHBondContact CD1-O 3.46Å; L338-Y681 HydrophobicContact CD2-CD1 4.12Å; V342-Y681 HydrophobicContact CG1-CD1 3.86Å; V342-Y681 HydrophobicContact CG1-CE1 4.09Å; V342-Y681 HydrophobicContact CG1-CG 4.32Å; V342-Y681 HydrophobicContact CG2-CD1 3.89Å; V342-Y681 HydrophobicContact CG2-CE1 3.89Å; L350-Y681 HydrophobicContact CD2-CE2 4.37Å; L356-Y681 HydrophobicContact CD1-CE2 4.13Å; D359-Y681 HydrophobicContact CB-CE1 4.05Å; D359-Y681 PolarHBondContact OD2-OH 2.95Å; M644-Y681 HydrophobicContact CE-CD1 3.99Å; M644-Y681 HydrophobicContact CE-CE1 3.89Å; M644-Y681 HydrophobicContact CE-CG 4.42Å; D679-Y681 VanDerWaalsContact C-N 3.35Å
682S74.6Confident64.1Low41 Ų4171.4 Ų71.429%0.28740%0.4SS..  trans-69.9149.8176.774.70000113D679D679-S682 WeakPolarHBondContact OD1-CB 3.36Å; D679-S682 PolarHBondContact OD1-N 3.05Å; D679-S682 PolarHBondContact OD1-OG 3.03Å; D679-S682 WeakPolarHBondContact OD2-CB 3.1Å; D679-S682 PolarHBondContact OD2-OG 3.22Å
683Y77.7Confident62.1Low30 Ų3074.3 Ų74.312%0.11842%0.417CS..  trans-137.8110.2171.6-177.8-104.9000109.5L326 V331 Y334 N335 E642 T643 P685L326-Y683 HydrophobicContact CD1-CE2 3.86Å; V331-Y683 HydrophobicContact CG1-CE1 3.86Å; V331-Y683 HydrophobicContact CG2-CE1 4.13Å; V331-Y683 WeakPolarHBondContact CG2-OH 3.38Å; Y334-Y683 HydrophobicContact CD1-CD1 4.46Å; Y334-Y683 HydrophobicContact CD1-CD2 4.18Å; Y334-Y683 AromaticContact CD1-CG 3.94Å; Y334-Y683 HydrophobicContact CD1-CG 3.94Å; Y334-Y683 HydrophobicContact CE1-CD2 4.07Å; Y334-Y683 AromaticContact CE1-CG 3.95Å; Y334-Y683 HydrophobicContact CE1-CG 3.95Å; N335-Y683 WeakPolarHBondContact OD1-CD1 3.17Å; E642-Y683 WeakPolarHBondContact O-CD2 3.26Å; T643-Y683 HydrophobicContact CG2-CD2 4Å; T643-Y683 HydrophobicContact CG2-CE2 3.87Å; Y683-P685 HydrophobicContact CD1-CG 4.4Å; Y683-P685 HydrophobicContact CE1-CB 4.08Å; Y683-P685 HydrophobicContact CE1-CG 3.74Å
684N72.4Confident60.1Low54 Ų5478 Ų7829%0.28944%0.439SS..  trans-13281.7-175.8-81.4-74.9000110.3T686 R687N684-T686 PolarHBondContact O-N 2.63Å; N684-R687 HydrophobicContact CB-CB 4.08Å; N684-R687 HydrophobicContact CB-CG 3.78Å; N684-R687 PolarHBondContact O-N 3.04Å
685P64.2Low58.4Low68 Ų6882.9 Ų82.944%0.44246%0.461SS..THydrogen-bonded Turntrans-64.2-12.7-172.425.3-34000114.4Y683Y683-P685 HydrophobicContact CD1-CG 4.4Å; Y683-P685 HydrophobicContact CE1-CB 4.08Å; Y683-P685 HydrophobicContact CE1-CG 3.74Å
686T63.5Low56.8Low115 Ų11583.4 Ų83.471%0.70646%0.459SS*.THydrogen-bonded Turntrans-97.2-13.7177.853.20000114N684N684-T686 PolarHBondContact O-N 2.63Å
687R53.9Low54.8Low142 Ų14283.8 Ų83.854%0.53647%0.466SS..SBendtrans-64.4144.1171.8-81.5-178.3177.9174.5-2.2108.9N684N684-R687 HydrophobicContact CB-CB 4.08Å; N684-R687 HydrophobicContact CB-CG 3.78Å; N684-R687 PolarHBondContact O-N 3.04Å
688N46.6Very low53.5Low87 Ų8791.1 Ų91.147%0.46551%0.505SS..  trans72.853.8174.5-51.7-46.3000118.3E642 K690 K704E642-N688 PolarHBondContact OE1-ND2 3.26Å; N688-K690 VanDerWaalsContact C-N 3.26Å; N688-K704 WeakPolarHBondContact O-CE 3.16Å; N688-K704 PolarHBondContact O-NZ 2.92Å
689V42.5Very low52.4Low129 Ų12989.9 Ų89.978%0.78250%0.504SS*.  trans-85.36.7155.6-172.20000112.1A691V689-A691 PolarHBondContact O-N 3.22Å
690K37.7Very low51.3Low192 Ų19291.8 Ų91.884%0.83551%0.513SS*.  trans-70.9125.6173.9-70.8-173.1175.8-178.70110.5N688N688-K690 VanDerWaalsContact C-N 3.26Å
691A32.4Very low50.4Low84 Ų8494 Ų9469%0.69453%0.525SS*.  trans-100.2123.4-164.300000113.1V689V689-A691 PolarHBondContact O-N 3.22Å
692S34Very low49.6Very low115 Ų11595.2 Ų95.280%0.80453%0.529SS*.SBendtrans-149.55.2163.654.70000113.2
693L38.8Very low48.8Very low102 Ų10294.1 Ų94.153%0.53452%0.52SS..SBendtrans-137.8150.4-179.3-70.4170.7000110.1L695 H706L693-L695 PolarHBondContact O-N 3.18Å; L693-H706 HydrophobicContact CD1-CB 4.18Å
694V36.5Very low48.5Very low89 Ų8995.5 Ų95.554%0.53953%0.527SS..  trans-60.4107.1-168.8-178.80000112L696 Y705V694-L696 HydrophobicContact CG1-CD2 4.26Å; V694-L696 HydrophobicContact CG1-CG 4.38Å; V694-L696 PolarHBondContact O-N 3.38Å; V694-Y705 HydrophobicContact CB-CE1 4.39Å
695L37.2Very low48.9Very low117 Ų11796.2 Ų96.261%0.61353%0.526SS*.  trans-72.2108.9163.7-84.5154.2000108.7L693L693-L695 PolarHBondContact O-N 3.18Å
696L39.9Very low49.9Very low79 Ų7993.9 Ų93.941%0.41451%0.509SS..  trans-78.3125.5172.9-73.6168.4000110.2V694 W702 Y705V694-L696 HydrophobicContact CG1-CD2 4.26Å; V694-L696 HydrophobicContact CG1-CG 4.38Å; V694-L696 PolarHBondContact O-N 3.38Å; L696-W702 HydrophobicContact CD1-CH2 3.26Å; L696-W702 HydrophobicContact CD1-CZ2 3.28Å; L696-W702 HydrophobicContact CD1-CZ3 4.17Å; L696-Y705 HydrophobicContact CD1-CD1 4.36Å; L696-Y705 HydrophobicContact CD1-CE1 3.82Å; L696-Y705 HydrophobicContact CG-CE1 4.24Å
697P33.1Very low50.9Low104 Ų10491.3 Ų91.368%0.67549%0.489SS*.SBendtrans-68.6137.1177.525.4-30.4000111.5S699P697-S699 PolarHBondContact O-N 3.4Å; P697-S699 VanDerWaalsContact O-N 3.1Å
698N41.7Very low52.4Low164 Ų16484.7 Ų84.788%0.87746%0.464SS*.SBendtrans57.822.2157.3-60.3-10.3000119.4
699S45.4Very low54.1Low55 Ų5582.8 Ų82.839%0.38545%0.454SS..  trans-107.868.5177.648.30000114.8P697 W702P697-S699 PolarHBondContact O-N 3.4Å; P697-S699 VanDerWaalsContact O-N 3.1Å; S699-W702 PolarHBondContact O-NE1 3.18Å
700I53.1Low56.1Low109 Ų10978.6 Ų78.656%0.55943%0.431SS*.THydrogen-bonded Turntrans25.895.6152.3-55.6165.5000115.7K507K507-I700 PolarHBondContact NZ-O 3.33Å
701N57.1Low58.2Low55 Ų5570.6 Ų70.629%0.29440%0.397SS..THydrogen-bonded Turntrans1040.7155.6-57.10.7000120.1V324 R325 V503V324-N701 WeakPolarHBondContact CA-O 3.34Å; V324-N701 WeakPolarHBondContact CG1-O 3.44Å; R325-N701 PolarHBondContact N-O 3.44Å; V503-N701 WeakPolarHBondContact CB-ND2 3.16Å; V503-N701 WeakPolarHBondContact CG1-ND2 3.21Å
702W59.9Low60.6Low68 Ų6867 Ų6726%0.25837%0.366SS..EExtended strand (participates in β ladder)trans-133.7152.6174.863.1-52.4000111L322 Y323 L696 S699 Y705L322-W702 HydrophobicContact CB-CE3 4.45Å; L322-W702 HydrophobicContact CD2-CE3 3.9Å; L322-W702 HydrophobicContact CD2-CZ3 3.66Å; Y323-W702 CarbonylContact O-C 3.54Å; Y323-W702 WeakPolarHBondContact O-CA 3.46Å; Y323-W702 WeakPolarHBondContact O-CB 3.44Å; L696-W702 HydrophobicContact CD1-CH2 3.26Å; L696-W702 HydrophobicContact CD1-CZ2 3.28Å; L696-W702 HydrophobicContact CD1-CZ3 4.17Å; S699-W702 PolarHBondContact O-NE1 3.18Å; W702-Y705 HydrophobicContact CE3-CD1 4.3Å; W702-Y705 AromaticContact CH2-CD1 3.9Å; W702-Y705 HydrophobicContact CH2-CD1 3.9Å; W702-Y705 HydrophobicContact CH2-CE1 4.28Å; W702-Y705 HydrophobicContact CH2-CG 4.42Å; W702-Y705 AromaticContact CZ3-CD1 3.39Å; W702-Y705 HydrophobicContact CZ3-CD1 3.39Å; W702-Y705 HydrophobicContact CZ3-CE1 4.21Å; W702-Y705 AromaticContact CZ3-CG 3.7Å; W702-Y705 HydrophobicContact CZ3-CG 3.7Å
703T56.6Low63Low18 Ų1867.1 Ų67.111%0.1135%0.352CS..EExtended strand (participates in β ladder)trans-114.9-38.4-171.845.60000115.1Y323 R325 Q641Y323-T703 PolarHBondContact O-N 3.28Å; Y323-T703 PolarHBondContact O-OG1 3.32Å; R325-T703 HydrophobicContact CG-CG2 3.68Å; Q641-T703 PolarHBondContact OE1-OG1 3.01Å
704K71.9Confident65.3Low59 Ų5965 Ų6526%0.25734%0.341SS..EExtended strand (participates in β ladder)trans-144148.8-170.9-63.6179.1-175.1175.30109Y323 N688Y323-K704 HydrophobicContact CD2-CB 3.85Å; Y323-K704 HydrophobicContact CG-CB 4.42Å; Y323-K704 PolarHBondContact N-O 3.31Å; N688-K704 WeakPolarHBondContact O-CE 3.16Å; N688-K704 PolarHBondContact O-NZ 2.92Å
705Y81.8Confident67.7Low69 Ų6963 Ų6327%0.27133%0.327SS..EExtended strand (participates in β ladder)trans-142.9158.7162.871.3-76.4000111.9Y320 I321 V694 L696 W702Y320-Y705 HydrophobicContact CD1-CD2 4.28Å; I321-Y705 WeakPolarHBondContact O-CA 3.39Å; I321-Y705 WeakPolarHBondContact O-CB 3.5Å; V694-Y705 HydrophobicContact CB-CE1 4.39Å; L696-Y705 HydrophobicContact CD1-CD1 4.36Å; L696-Y705 HydrophobicContact CD1-CE1 3.82Å; L696-Y705 HydrophobicContact CG-CE1 4.24Å; W702-Y705 HydrophobicContact CE3-CD1 4.3Å; W702-Y705 AromaticContact CH2-CD1 3.9Å; W702-Y705 HydrophobicContact CH2-CD1 3.9Å; W702-Y705 HydrophobicContact CH2-CE1 4.28Å; W702-Y705 HydrophobicContact CH2-CG 4.42Å; W702-Y705 AromaticContact CZ3-CD1 3.39Å; W702-Y705 HydrophobicContact CZ3-CD1 3.39Å; W702-Y705 HydrophobicContact CZ3-CE1 4.21Å; W702-Y705 AromaticContact CZ3-CG 3.7Å; W702-Y705 HydrophobicContact CZ3-CG 3.7Å
706H84.1Confident70Confident20 Ų2062.2 Ų62.29%0.09333%0.327CS..EExtended strand (participates in β ladder)trans-150.7165.7168.661.4-81.9000108.8I321 Y323 L693 L711I321-H706 PolarHBondContact N-O 3.01Å; I321-H706 PolarHBondContact O-N 3.35Å; Y323-H706 AromaticContact CE2-CE1 3.61Å; Y323-H706 AromaticContact CE2-ND1 3.75Å; L693-H706 HydrophobicContact CD1-CB 4.18Å; H706-L711 VanDerWaalsContact NE2-CD1 3.34Å; H706-L711 WeakPolarHBondContact NE2-CD1 3.33Å
707E85.3Confident72Confident61 Ų6167.6 Ų67.629%0.28535%0.35SS..EExtended strand (participates in β ladder)trans-79.8125172.1179.8175.8-123.100109.1H318 E319 D709 S710 K713H318-E707 IonicContact ND1-OE1 2.77Å; E319-E707 CarbonylContact O-C 3.54Å; E319-E707 VanDerWaalsContact O-CA 3.29Å; E319-E707 WeakPolarHBondContact O-CA 3.19Å; E707-D709 VanDerWaalsContact C-N 3.28Å; E707-D709 HydrophobicContact CG-CB 4.4Å; E707-D709 PolarHBondContact O-N 2.97Å; E707-S710 VanDerWaalsContact O-CB 3.26Å; E707-S710 WeakPolarHBondContact O-CB 3.35Å; E707-S710 PolarHBondContact O-N 3.39Å; E707-S710 PolarHBondContact O-OG 3.48Å; E707-K713 IonicContact OE2-NZ 2.65Å
708H84.1Confident74.3Confident2 Ų266.1 Ų66.11%0.00933%0.334CS..G310 helixtrans-55.3-44.6-178.3177.853.8000112.1E319 I321 Y649 Q656 S710 L711E319-H708 HydrophobicContact CB-CB 3.93Å; E319-H708 HydrophobicContact CG-CB 3.56Å; E319-H708 PolarHBondContact O-N 3.28Å; E319-H708 IonicContact OE1-CD2 2.67Å; E319-H708 PolarHBondContact OE1-CD2 3.28Å; E319-H708 IonicContact OE1-CG 3.77Å; E319-H708 IonicContact OE2-CD2 3.85Å; E319-H708 PolarHBondContact OE2-CD2 3.17Å; I321-H708 HydrophobicContact CD1-CB 3.77Å; I321-H708 HydrophobicContact CG1-CB 3.96Å; Y649-H708 AromaticContact CZ-ND1 3.95Å; Y649-H708 PolarHBondContact OH-ND1 3.37Å; Q656-H708 PolarHBondContact NE2-NE2 2.92Å; Q656-H708 VanDerWaalsContact NE2-NE2 3.12Å; Q656-H708 PolarHBondContact OE1-CE1 2.75Å; Q656-H708 VanDerWaalsContact OE1-CE1 3.31Å; Q656-H708 PolarHBondContact OE1-NE2 3.03Å; H708-S710 PolarHBondContact O-N 3.43Å; H708-S710 VanDerWaalsContact O-N 3.16Å; H708-L711 PolarHBondContact O-N 2.97Å; H708-L711 VanDerWaalsContact O-N 3.12Å
709D83.1Confident76.4Confident48 Ų4861 Ų6126%0.25731%0.308SS..G310 helixtrans-65.2-19.4-178.7-59.2-37.9000111.9K317 E707 L711 L712 K713K317-D709 WeakPolarHBondContact CE-OD2 3.45Å; K317-D709 IonicContact NZ-OD1 3.43Å; K317-D709 PolarHBondContact NZ-OD1 3.28Å; K317-D709 IonicContact NZ-OD2 3.18Å; K317-D709 PolarHBondContact NZ-OD2 3.37Å; E707-D709 VanDerWaalsContact C-N 3.28Å; E707-D709 HydrophobicContact CG-CB 4.4Å; E707-D709 PolarHBondContact O-N 2.97Å; D709-L711 VanDerWaalsContact C-N 3.27Å; D709-L711 PolarHBondContact O-N 3.24Å; D709-L712 CarbonylContact O-C 3.56Å; D709-L712 PolarHBondContact O-N 3.43Å; D709-L712 VanDerWaalsContact O-N 3.11Å; D709-K713 WeakPolarHBondContact O-CG 3.43Å; D709-K713 PolarHBondContact O-N 3.42Å
710S84.1Confident78.3Confident40 Ų4059 Ų5928%0.2829%0.293SS..G310 helixtrans-63.8-30.6174.5740000113.4E707 H708 L712E707-S710 VanDerWaalsContact O-CB 3.26Å; E707-S710 WeakPolarHBondContact O-CB 3.35Å; E707-S710 PolarHBondContact O-N 3.39Å; E707-S710 PolarHBondContact O-OG 3.48Å; H708-S710 PolarHBondContact O-N 3.43Å; H708-S710 VanDerWaalsContact O-N 3.16Å; S710-L712 PolarHBondContact O-N 3.02Å
711L82.1Confident80Confident24 Ų2457.4 Ų57.413%0.12629%0.289CS..G310 helixtrans-79.9-2175.8-55.7-174000113.8Y649 V653 I668 H671 H706 H708 D709Y649-L711 HydrophobicContact CE1-CD1 4.48Å; V653-L711 HydrophobicContact CG1-CB 4.11Å; V653-L711 HydrophobicContact CG1-CD1 4.37Å; V653-L711 HydrophobicContact CG2-CD1 4.23Å; I668-L711 VanDerWaalsContact CG2-O 3.25Å; I668-L711 WeakPolarHBondContact CG2-O 3.39Å; H671-L711 WeakPolarHBondContact NE2-CA 3.36Å; H671-L711 WeakPolarHBondContact NE2-CD2 3.44Å; H706-L711 VanDerWaalsContact NE2-CD1 3.34Å; H706-L711 WeakPolarHBondContact NE2-CD1 3.33Å; H708-L711 PolarHBondContact O-N 2.97Å; H708-L711 VanDerWaalsContact O-N 3.12Å; D709-L711 VanDerWaalsContact C-N 3.27Å; D709-L711 PolarHBondContact O-N 3.24Å
712L82.7Confident81.4Confident8 Ų860.2 Ų60.24%0.04230%0.304CS..G310 helixtrans-127.312-174-63.2171.8000112.1V653 Q656 Y660 I668 D709 S710V653-L712 HydrophobicContact CG1-CD2 4.14Å; Q656-L712 HydrophobicContact CB-CD1 4.26Å; Q656-L712 HydrophobicContact CB-CD2 3.95Å; Y660-L712 HydrophobicContact CD2-CD2 4.29Å; Y660-L712 HydrophobicContact CE2-CD1 4.15Å; Y660-L712 HydrophobicContact CE2-CD2 4.41Å; I668-L712 HydrophobicContact CD1-CD2 4.34Å; D709-L712 CarbonylContact O-C 3.56Å; D709-L712 PolarHBondContact O-N 3.43Å; D709-L712 VanDerWaalsContact O-N 3.11Å; S710-L712 PolarHBondContact O-N 3.02Å
713K84.4Confident82.7Confident118 Ų11862.9 Ų62.951%0.51332%0.32SS..  trans-66.1137.3177.5-76.1174.2-178.6168.40110.8E707 D709 I715E707-K713 IonicContact OE2-NZ 2.65Å; D709-K713 WeakPolarHBondContact O-CG 3.43Å; D709-K713 PolarHBondContact O-N 3.42Å; K713-I715 PolarHBondContact O-N 3.34Å
714N86.9Confident84.2Confident57 Ų5763.9 Ų63.931%0.30532%0.323SS..  trans-76.5117.2173-173.422.7000110.4W666 Q667 V716W666-N714 WeakPolarHBondContact CA-OD1 3.23Å; W666-N714 HydrophobicContact CB-CB 4.05Å; W666-N714 HydrophobicContact CD2-CB 3.82Å; W666-N714 HydrophobicContact CE3-CB 4.09Å; W666-N714 HydrophobicContact CG-CB 3.79Å; Q667-N714 PolarHBondContact N-OD1 2.94Å; Q667-N714 CarbonylContact O-C 3.48Å; Q667-N714 VanDerWaalsContact O-CA 3.31Å; Q667-N714 WeakPolarHBondContact O-CA 3.3Å; Q667-N714 PolarHBondContact O-OD1 2.84Å; N714-V716 PolarHBondContact O-N 2.74Å
715I87.8Confident85Confident47 Ų4763.2 Ų63.224%0.24132%0.321CS..  trans-86.994.1175.4-54174.1000107.8Q667 E669 K713 E717 E718Q667-I715 PolarHBondContact O-N 2.96Å; E669-I715 HydrophobicContact CB-CD1 3.97Å; E669-I715 HydrophobicContact CG-CD1 4.36Å; K713-I715 PolarHBondContact O-N 3.34Å; I715-E717 VanDerWaalsContact C-N 3.25Å; I715-E717 HydrophobicContact CG2-CB 4.45Å; I715-E717 PolarHBondContact O-N 3.07Å; I715-E718 HydrophobicContact CB-CB 4.1Å; I715-E718 HydrophobicContact CB-CG 4.49Å; I715-E718 HydrophobicContact CG2-CB 3.84Å; I715-E718 HydrophobicContact CG2-CG 3.91Å; I715-E718 PolarHBondContact O-N 2.76Å
716V84.4Confident85.3Confident102 Ų10266.3 Ų66.362%0.61834%0.336SS*.G310 helixtrans-60.4-36.2-176.2-176.80000111.8N714 E718 T719N714-V716 PolarHBondContact O-N 2.74Å; V716-E718 PolarHBondContact O-N 3.32Å; V716-T719 WeakPolarHBondContact O-CB 3.47Å; V716-T719 WeakPolarHBondContact O-CG2 3.29Å; V716-T719 PolarHBondContact O-N 2.86Å; V716-T719 VanDerWaalsContact O-N 3.12Å; V716-T719 PolarHBondContact O-OG1 3.09Å
717E82.2Confident85.6Confident192 Ų19266.4 Ų66.490%0.89734%0.34SS*.G310 helixtrans-63.1-23.7177.1-62.8176-175.100113.5I715I715-E717 VanDerWaalsContact C-N 3.25Å; I715-E717 HydrophobicContact CG2-CB 4.45Å; I715-E717 PolarHBondContact O-N 3.07Å
718E82.3Confident85.8Confident73 Ų7363.6 Ų63.634%0.34133%0.328SS..G310 helixtrans-88.2-3.7178.4-91.9-155.8-136.700113.5K288 Q667 I715 V716K288-E718 WeakPolarHBondContact CE-OE2 3.46Å; K288-E718 PolarHBondContact NZ-O 3.04Å; K288-E718 IonicContact NZ-OE2 3.82Å; K288-E718 PolarHBondContact NZ-OE2 3.23Å; Q667-E718 HydrophobicContact CB-CB 3.84Å; Q667-E718 HydrophobicContact CG-CB 4.28Å; I715-E718 HydrophobicContact CB-CB 4.1Å; I715-E718 HydrophobicContact CB-CG 4.49Å; I715-E718 HydrophobicContact CG2-CB 3.84Å; I715-E718 HydrophobicContact CG2-CG 3.91Å; I715-E718 PolarHBondContact O-N 2.76Å; V716-E718 PolarHBondContact O-N 3.32Å
719T84.4Confident86Confident55 Ų5565.2 Ų65.234%0.33733%0.334SS..SBendtrans-66.4147.3177.861.40000111.2Q667 V716 T721Q667-T719 HydrophobicContact CG-CG2 4.01Å; V716-T719 WeakPolarHBondContact O-CB 3.47Å; V716-T719 WeakPolarHBondContact O-CG2 3.29Å; V716-T719 PolarHBondContact O-N 2.86Å; V716-T719 VanDerWaalsContact O-N 3.12Å; V716-T719 PolarHBondContact O-OG1 3.09Å; T719-T721 PolarHBondContact O-N 2.86Å
720L85.4Confident86.3Confident13 Ų1364.5 Ų64.57%0.06833%0.334CS..PPolyproline II helixtrans-64.6135.8176.9-67175.3000109.9K288 R289 H292 E724 M725K288-L720 HydrophobicContact CB-CD1 4.29Å; K288-L720 HydrophobicContact CB-CD2 3.98Å; K288-L720 HydrophobicContact CB-CG 4.19Å; K288-L720 HydrophobicContact CD-CD2 4.48Å; R289-L720 HydrophobicContact CG-CD1 4.44Å; H292-L720 HydrophobicContact CB-CD1 3.99Å; L720-E724 HydrophobicContact CB-CB 4.14Å; L720-E724 HydrophobicContact CD2-CB 4.09Å; L720-M725 HydrophobicContact CB-CE 4.36Å; L720-M725 HydrophobicContact CB-CG 3.79Å; L720-M725 WeakPolarHBondContact O-CE 3.46Å
721T89.1Confident86.4Confident77 Ų7764.1 Ų64.147%0.47233%0.328SS..PPolyproline II helixtrans-64.3158.5171.759.40000111.4T719 E723 E724 M725T719-T721 PolarHBondContact O-N 2.86Å; T721-E723 PolarHBondContact O-N 3.48Å; T721-E723 VanDerWaalsContact O-N 3.11Å; T721-E724 WeakPolarHBondContact CB-OE2 3.19Å; T721-E724 PolarHBondContact N-OE2 3.37Å; T721-E724 PolarHBondContact O-N 3.38Å; T721-E724 VanDerWaalsContact OG1-CG 3.27Å; T721-E724 WeakPolarHBondContact OG1-CG 3.21Å; T721-E724 PolarHBondContact OG1-N 3.43Å; T721-E724 PolarHBondContact OG1-OE2 2.85Å; T721-M725 WeakPolarHBondContact O-CG 3.39Å; T721-M725 PolarHBondContact O-N 3.43Å
722D87.4Confident86.7Confident114 Ų11464.1 Ų64.161%0.6133%0.326SS*.Hα-helixtrans-54.1-31.2175.6-92.9-5.3000113.2K726D722-K726 VanDerWaalsContact O-CD 3.23Å; D722-K726 WeakPolarHBondContact O-CD 3.44Å; D722-K726 WeakPolarHBondContact O-CG 3.39Å; D722-K726 PolarHBondContact O-N 3.06Å
723E86.3Confident86.9Confident124 Ų12466.9 Ų66.958%0.57934%0.339SS*.Hα-helixtrans-71.7-46.3175.3-62-159.5170.300111.4T721 K726 A727 R789T721-E723 PolarHBondContact O-N 3.48Å; T721-E723 VanDerWaalsContact O-N 3.11Å; E723-K726 PolarHBondContact O-N 2.86Å; E723-A727 WeakPolarHBondContact O-CB 3.26Å; E723-A727 PolarHBondContact O-N 2.88Å; E723-R789 IonicContact OE2-NH1 3.87Å
724E88.5Confident86.9Confident38 Ų3862.6 Ų62.618%0.17832%0.321CS..Hα-helixtrans-66.2-36.7176.6-68.7169.1117.100112.7L720 T721 K726 A727 A728L720-E724 HydrophobicContact CB-CB 4.14Å; L720-E724 HydrophobicContact CD2-CB 4.09Å; T721-E724 WeakPolarHBondContact CB-OE2 3.19Å; T721-E724 PolarHBondContact N-OE2 3.37Å; T721-E724 PolarHBondContact O-N 3.38Å; T721-E724 VanDerWaalsContact OG1-CG 3.27Å; T721-E724 WeakPolarHBondContact OG1-CG 3.21Å; T721-E724 PolarHBondContact OG1-N 3.43Å; T721-E724 PolarHBondContact OG1-OE2 2.85Å; E724-K726 VanDerWaalsContact C-N 3.32Å; E724-K726 PolarHBondContact O-N 2.73Å; E724-A727 PolarHBondContact O-N 2.89Å; E724-A728 VanDerWaalsContact O-CB 3.22Å; E724-A728 WeakPolarHBondContact O-CB 3.26Å; E724-A728 PolarHBondContact O-N 2.92Å
725M88Confident86.9Confident46 Ų4662.6 Ų62.623%0.22732%0.319CS..Hα-helixtrans-62.2-39.1173.1-73.3-170.1173.600111.8H292 L720 T721 W729H292-M725 PolarHBondContact CE1-SD 3.15Å; L720-M725 HydrophobicContact CB-CE 4.36Å; L720-M725 HydrophobicContact CB-CG 3.79Å; L720-M725 WeakPolarHBondContact O-CE 3.46Å; T721-M725 WeakPolarHBondContact O-CG 3.39Å; T721-M725 PolarHBondContact O-N 3.43Å; M725-W729 WeakPolarHBondContact O-CB 3.31Å; M725-W729 PolarHBondContact O-N 3.14Å
726K89.2Confident86.7Confident134 Ų13465 Ų6558%0.58333%0.328SS*.Hα-helixtrans-69.4-44.6174.1-72162.7-165.6158.20111.1D722 E723 E724 W729 A730D722-K726 VanDerWaalsContact O-CD 3.23Å; D722-K726 WeakPolarHBondContact O-CD 3.44Å; D722-K726 WeakPolarHBondContact O-CG 3.39Å; D722-K726 PolarHBondContact O-N 3.06Å; E723-K726 PolarHBondContact O-N 2.86Å; E724-K726 VanDerWaalsContact C-N 3.32Å; E724-K726 PolarHBondContact O-N 2.73Å; K726-W729 PolarHBondContact O-N 3.46Å; K726-A730 PolarHBondContact O-N 3.48Å
727A89.3Confident86.7Confident22 Ų2264.9 Ų64.918%0.18232%0.321CS..Hα-helixtrans-61.7-47.617800000112E723 E724 W729 A730 E731 V786E723-A727 WeakPolarHBondContact O-CB 3.26Å; E723-A727 PolarHBondContact O-N 2.88Å; E724-A727 PolarHBondContact O-N 2.89Å; A727-W729 VanDerWaalsContact C-N 3.26Å; A727-W729 PolarHBondContact O-N 3.01Å; A727-A730 PolarHBondContact O-N 3.44Å; A727-E731 VanDerWaalsContact O-CB 3.29Å; A727-E731 WeakPolarHBondContact O-CB 3.41Å; A727-E731 PolarHBondContact O-N 3Å; A727-V786 HydrophobicContact CB-CG2 4.24Å
728A89.2Confident86.7Confident2 Ų256.9 Ų56.92%0.01728%0.284CS..Hα-helixtrans-58.2-37.7175.900000112.7R289 V293 E724 Y732R289-A728 HydrophobicContact CB-CB 3.7Å; R289-A728 HydrophobicContact CG-CB 3.73Å; V293-A728 HydrophobicContact CG2-CB 4.18Å; V293-A728 WeakPolarHBondContact CG2-O 3.4Å; E724-A728 VanDerWaalsContact O-CB 3.22Å; E724-A728 WeakPolarHBondContact O-CB 3.26Å; E724-A728 PolarHBondContact O-N 2.92Å; A728-Y732 WeakPolarHBondContact O-CB 3.15Å; A728-Y732 PolarHBondContact O-N 3.41Å
729W88.6Confident86.8Confident36 Ų3655.2 Ų55.214%0.13628%0.278CS..Hα-helixtrans-70.8-43.5176.2-171.3-92.1000112.3M3 V293 K296 L297 M725 K726 A727 Y732 E733M3-W729 HydrophobicContact SD-CZ2 4.37Å; V293-W729 HydrophobicContact CG1-CE3 4.36Å; V293-W729 HydrophobicContact CG1-CZ3 4.36Å; V293-W729 HydrophobicContact CG2-CE3 4.36Å; K296-W729 HydrophobicContact CB-CE3 4.21Å; K296-W729 HydrophobicContact CB-CZ3 3.77Å; K296-W729 HydrophobicContact CD-CD2 3.97Å; K296-W729 HydrophobicContact CD-CE3 3.44Å; K296-W729 VanDerWaalsContact CD-CE3 3.44Å; K296-W729 HydrophobicContact CD-CH2 4.38Å; K296-W729 HydrophobicContact CD-CZ3 3.68Å; K296-W729 HydrophobicContact CG-CE3 3.88Å; K296-W729 HydrophobicContact CG-CH2 4.03Å; K296-W729 HydrophobicContact CG-CZ3 3.53Å; K296-W729 VanDerWaalsContact NZ-CG 3.32Å; L297-W729 HydrophobicContact CD2-CH2 3.79Å; L297-W729 HydrophobicContact CD2-CZ3 4.28Å; L297-W729 HydrophobicContact CG-CH2 4.03Å; L297-W729 HydrophobicContact CG-CZ3 4.02Å; M725-W729 WeakPolarHBondContact O-CB 3.31Å; M725-W729 PolarHBondContact O-N 3.14Å; K726-W729 PolarHBondContact O-N 3.46Å; A727-W729 VanDerWaalsContact C-N 3.26Å; A727-W729 PolarHBondContact O-N 3.01Å; W729-Y732 PolarHBondContact O-N 2.99Å; W729-E733 PolarHBondContact NE1-OE1 3.05Å; W729-E733 WeakPolarHBondContact O-CG 3.31Å; W729-E733 PolarHBondContact O-N 3.11Å
730A89.4Confident86.7Confident32 Ų3256 Ų5626%0.26428%0.281SS..Hα-helixtrans-63.9-42.4176.700000112K726 A727 E733 M734K726-A730 PolarHBondContact O-N 3.48Å; A727-A730 PolarHBondContact O-N 3.44Å; A730-E733 PolarHBondContact O-N 2.84Å; A730-M734 WeakPolarHBondContact O-CG 3.49Å; A730-M734 PolarHBondContact O-N 3.5Å
731E87.5Confident86.7Confident32 Ų3256.2 Ų56.215%0.1528%0.282CS..Hα-helixtrans-53.9-52.8173.2-177.6166.3-136.900110.9R289 A727 E733 M734 E735 Q783R289-E731 WeakPolarHBondContact CD-OE2 3.45Å; R289-E731 IonicContact CZ-OE2 3.6Å; R289-E731 IonicContact NE-OE2 2.8Å; R289-E731 IonicContact NH1-OE1 3.71Å; R289-E731 IonicContact NH1-OE2 2.89Å; R289-E731 PolarHBondContact NH1-OE2 3.27Å; A727-E731 VanDerWaalsContact O-CB 3.29Å; A727-E731 WeakPolarHBondContact O-CB 3.41Å; A727-E731 PolarHBondContact O-N 3Å; E731-E733 PolarHBondContact O-N 3.01Å; E731-M734 PolarHBondContact O-N 2.89Å; E731-E735 WeakPolarHBondContact O-CG 3.21Å; E731-E735 PolarHBondContact O-N 3.02Å; E731-Q783 PolarHBondContact OE1-NE2 3.12Å
732Y88.7Confident86.5Confident24 Ų2456.1 Ų56.19%0.09428%0.276CS..Hα-helixtrans-62.2-40.1175.9173-104.2000113.9T266 F267 V293 L297 A728 W729 K736T266-Y732 HydrophobicContact CG2-CD2 4.3Å; T266-Y732 HydrophobicContact CG2-CE2 4.01Å; F267-Y732 HydrophobicContact CE2-CE2 4.43Å; F267-Y732 HydrophobicContact CZ-CD2 4.45Å; F267-Y732 AromaticContact CZ-CE2 3.82Å; F267-Y732 HydrophobicContact CZ-CE2 3.82Å; V293-Y732 HydrophobicContact CG1-CD1 3.64Å; V293-Y732 HydrophobicContact CG1-CD2 3.86Å; V293-Y732 HydrophobicContact CG1-CE1 4.15Å; V293-Y732 HydrophobicContact CG1-CE2 4.33Å; V293-Y732 HydrophobicContact CG1-CG 3.48Å; V293-Y732 VanDerWaalsContact CG1-CG 3.48Å; L297-Y732 HydrophobicContact CD1-CE1 3.9Å; L297-Y732 HydrophobicContact CD2-CE1 4.11Å; L297-Y732 HydrophobicContact CG-CE1 4.41Å; A728-Y732 WeakPolarHBondContact O-CB 3.15Å; A728-Y732 PolarHBondContact O-N 3.41Å; W729-Y732 PolarHBondContact O-N 2.99Å; Y732-K736 HydrophobicContact CE1-CD 4.46Å; Y732-K736 VanDerWaalsContact O-CB 3.3Å; Y732-K736 WeakPolarHBondContact O-CB 3.36Å; Y732-K736 PolarHBondContact O-N 3.37Å
733E86.8Confident86.3Confident67 Ų6755.2 Ų55.231%0.31327%0.267SS..Hα-helixtrans-66.3-37.9177.4-77.5-172.4157.900112.3W729 A730 E731 Q737W729-E733 PolarHBondContact NE1-OE1 3.05Å; W729-E733 WeakPolarHBondContact O-CG 3.31Å; W729-E733 PolarHBondContact O-N 3.11Å; A730-E733 PolarHBondContact O-N 2.84Å; E731-E733 PolarHBondContact O-N 3.01Å; E733-Q737 VanDerWaalsContact O-CG 3.28Å; E733-Q737 WeakPolarHBondContact O-CG 3.38Å; E733-Q737 PolarHBondContact O-N 3.38Å
734M84.3Confident86.2Confident28 Ų2856.4 Ų56.414%0.13827%0.266CS..Hα-helixtrans-67.1-47175.2-71-173.9-72.700112A730 E731 K736 Q737 Q738 Q779A730-M734 WeakPolarHBondContact O-CG 3.49Å; A730-M734 PolarHBondContact O-N 3.5Å; E731-M734 PolarHBondContact O-N 2.89Å; M734-K736 VanDerWaalsContact C-N 3.29Å; M734-K736 PolarHBondContact O-N 2.74Å; M734-Q737 PolarHBondContact O-N 3.28Å; M734-Q738 PolarHBondContact O-N 3.37Å; M734-Q779 HydrophobicContact CB-CG 4.19Å; M734-Q779 HydrophobicContact CE-CG 3.66Å; M734-Q779 HydrophobicContact SD-CG 3.74Å
735E85.7Confident86Confident56 Ų5655.5 Ų55.526%0.26226%0.262SS..Hα-helixtrans-56.9-44.5174.3-72.2176.5162.700111.9R290 E731 Q737 Q738 T739R290-E735 IonicContact CZ-OE1 3.93Å; R290-E735 IonicContact CZ-OE2 3.23Å; R290-E735 VanDerWaalsContact CZ-OE2 3.26Å; R290-E735 IonicContact NH1-OE1 3.06Å; R290-E735 IonicContact NH1-OE2 3.44Å; R290-E735 PolarHBondContact NH1-OE2 3.17Å; R290-E735 IonicContact NH2-OE1 3.22Å; R290-E735 PolarHBondContact NH2-OE1 3.15Å; R290-E735 IonicContact NH2-OE2 2.8Å; R290-E735 PolarHBondContact NH2-OE2 3.08Å; E731-E735 WeakPolarHBondContact O-CG 3.21Å; E731-E735 PolarHBondContact O-N 3.02Å; E735-Q737 PolarHBondContact O-N 3.3Å; E735-Q738 WeakPolarHBondContact O-CB 3.27Å; E735-Q738 PolarHBondContact O-N 2.9Å; E735-T739 WeakPolarHBondContact O-CG2 3.16Å; E735-T739 PolarHBondContact O-N 3.35Å
736K84.8Confident85.9Confident97 Ų9755.8 Ų55.842%0.42227%0.271SS..Hα-helixtrans-60.9-45.8178.1-176.6176177.4176.20111.4Y732 M734 Q738 T739 D740Y732-K736 HydrophobicContact CE1-CD 4.46Å; Y732-K736 VanDerWaalsContact O-CB 3.3Å; Y732-K736 WeakPolarHBondContact O-CB 3.36Å; Y732-K736 PolarHBondContact O-N 3.37Å; M734-K736 VanDerWaalsContact C-N 3.29Å; M734-K736 PolarHBondContact O-N 2.74Å; K736-Q738 VanDerWaalsContact C-N 3.32Å; K736-Q738 PolarHBondContact O-N 2.98Å; K736-T739 PolarHBondContact O-N 2.72Å; K736-T739 PolarHBondContact O-OG1 3.03Å; K736-D740 PolarHBondContact O-N 3.22Å
737Q83.5Confident85.7Confident100 Ų10053.6 Ų53.647%0.46727%0.265SS..Hα-helixtrans-59-43.5174.4-72.2172.732.400111.5E733 M734 E735 D740 L741 Q775E733-Q737 VanDerWaalsContact O-CG 3.28Å; E733-Q737 WeakPolarHBondContact O-CG 3.38Å; E733-Q737 PolarHBondContact O-N 3.38Å; M734-Q737 PolarHBondContact O-N 3.28Å; E735-Q737 PolarHBondContact O-N 3.3Å; Q737-D740 PolarHBondContact O-N 3Å; Q737-L741 WeakPolarHBondContact O-CG 3.42Å; Q737-L741 PolarHBondContact O-N 2.86Å; Q737-Q775 VanDerWaalsContact OE1-NE2 3.14Å
738Q83.5Confident85.4Confident25 Ų2553.9 Ų53.912%0.11726%0.264CS..Hα-helixtrans-58.3-50.6176.3-165.8-168.4-5800111.3M734 E735 K736 D740 L741 E742 I772M734-Q738 PolarHBondContact O-N 3.37Å; E735-Q738 WeakPolarHBondContact O-CB 3.27Å; E735-Q738 PolarHBondContact O-N 2.9Å; K736-Q738 VanDerWaalsContact C-N 3.32Å; K736-Q738 PolarHBondContact O-N 2.98Å; Q738-D740 VanDerWaalsContact C-N 3.26Å; Q738-D740 PolarHBondContact O-N 3.43Å; Q738-L741 WeakPolarHBondContact O-CB 3.42Å; Q738-L741 PolarHBondContact O-N 3.39Å; Q738-L741 VanDerWaalsContact O-N 3.11Å; Q738-E742 PolarHBondContact NE2-OE1 3.09Å; Q738-E742 WeakPolarHBondContact O-CG 3.3Å; Q738-E742 PolarHBondContact O-N 2.71Å; Q738-I772 HydrophobicContact CG-CB 4.47Å; Q738-I772 HydrophobicContact CG-CG1 4.14Å; Q738-I772 HydrophobicContact CG-CG2 3.75Å
739T83.5Confident85.1Confident38 Ų3858.5 Ų58.523%0.23328%0.284CS..Hα-helixtrans-64.2-29.5179.568.90000113E735 K736 K743E735-T739 WeakPolarHBondContact O-CG2 3.16Å; E735-T739 PolarHBondContact O-N 3.35Å; K736-T739 PolarHBondContact O-N 2.72Å; K736-T739 PolarHBondContact O-OG1 3.03Å; T739-K743 WeakPolarHBondContact O-CD 3.47Å; T739-K743 WeakPolarHBondContact O-CE 3.23Å; T739-K743 WeakPolarHBondContact O-CG 3.37Å; T739-K743 PolarHBondContact O-N 3.35Å; T739-K743 PolarHBondContact OG1-NZ 3.23Å
740D83.2Confident84.8Confident72 Ų7262.1 Ų62.139%0.38531%0.306SS..Hα-helixtrans-75.9-31.9175.4-74.9-18.5000111.9K736 Q737 Q738 K743 R744K736-D740 PolarHBondContact O-N 3.22Å; Q737-D740 PolarHBondContact O-N 3Å; Q738-D740 VanDerWaalsContact C-N 3.26Å; Q738-D740 PolarHBondContact O-N 3.43Å; D740-K743 IonicContact OD1-NZ 2.62Å; D740-K743 PolarHBondContact OD1-NZ 3.34Å; D740-R744 VanDerWaalsContact O-CG 3.32Å; D740-R744 WeakPolarHBondContact O-CG 3.44Å; D740-R744 PolarHBondContact O-N 3.17Å
741L83.7Confident84.4Confident16 Ų1667.2 Ų67.28%0.08432%0.318CS..Hα-helixtrans-67.3-44.1168.7-68.5169.4000111.6Q737 Q738 K743 R744 I745 L768 Q771 I772Q737-L741 WeakPolarHBondContact O-CG 3.42Å; Q737-L741 PolarHBondContact O-N 2.86Å; Q738-L741 WeakPolarHBondContact O-CB 3.42Å; Q738-L741 PolarHBondContact O-N 3.39Å; Q738-L741 VanDerWaalsContact O-N 3.11Å; L741-K743 PolarHBondContact O-N 3.45Å; L741-R744 WeakPolarHBondContact O-CB 3.39Å; L741-R744 PolarHBondContact O-N 3Å; L741-I745 PolarHBondContact O-N 3.45Å; L741-L768 HydrophobicContact CD2-CD2 3.69Å; L741-Q771 HydrophobicContact CD1-CB 4.28Å; L741-I772 HydrophobicContact CB-CD1 3.9Å; L741-I772 HydrophobicContact CB-CG1 3.87Å; L741-I772 HydrophobicContact CD1-CG1 3.9Å
742E84.9Confident84Confident75 Ų7567.4 Ų67.435%0.3533%0.325SS..Hα-helixtrans-60.4-41.9176.2-71.4168.3178.900111.8Q738 R744 I745 A746 I772 R776Q738-E742 PolarHBondContact NE2-OE1 3.09Å; Q738-E742 WeakPolarHBondContact O-CG 3.3Å; Q738-E742 PolarHBondContact O-N 2.71Å; E742-R744 VanDerWaalsContact C-N 3.33Å; E742-R744 PolarHBondContact O-N 3.5Å; E742-I745 PolarHBondContact O-N 2.96Å; E742-A746 PolarHBondContact O-N 3.15Å; E742-I772 HydrophobicContact CG-CD1 3.83Å; E742-R776 IonicContact OE1-NH2 2.81Å
743K84.2Confident83.5Confident96 Ų9669.9 Ų69.942%0.41735%0.351SS..Hα-helixtrans-60.7-39171.7-72161.8-146.1149.60112.3T739 D740 L741 A746 I747T739-K743 WeakPolarHBondContact O-CD 3.47Å; T739-K743 WeakPolarHBondContact O-CE 3.23Å; T739-K743 WeakPolarHBondContact O-CG 3.37Å; T739-K743 PolarHBondContact O-N 3.35Å; T739-K743 PolarHBondContact OG1-NZ 3.23Å; D740-K743 IonicContact OD1-NZ 2.62Å; D740-K743 PolarHBondContact OD1-NZ 3.34Å; L741-K743 PolarHBondContact O-N 3.45Å; K743-A746 PolarHBondContact O-N 3.34Å; K743-I747 WeakPolarHBondContact O-CD1 3.29Å; K743-I747 VanDerWaalsContact O-CG1 3.26Å; K743-I747 WeakPolarHBondContact O-CG1 3.45Å; K743-I747 PolarHBondContact O-N 2.97Å
744R84.1Confident83.1Confident149 Ų14971.9 Ų71.956%0.56236%0.364SS*.Hα-helixtrans-65.5-41176.4-71.2172.675.8-171.53.8111.3D740 L741 E742 I747 L748 L768D740-R744 VanDerWaalsContact O-CG 3.32Å; D740-R744 WeakPolarHBondContact O-CG 3.44Å; D740-R744 PolarHBondContact O-N 3.17Å; L741-R744 WeakPolarHBondContact O-CB 3.39Å; L741-R744 PolarHBondContact O-N 3Å; E742-R744 VanDerWaalsContact C-N 3.33Å; E742-R744 PolarHBondContact O-N 3.5Å; R744-I747 PolarHBondContact O-N 3.21Å; R744-L748 WeakPolarHBondContact O-CG 3.39Å; R744-L748 PolarHBondContact O-N 3Å; R744-L768 HydrophobicContact CB-CD1 4.33Å
745I85.1Confident82.3Confident19 Ų1977 Ų7710%0.09739%0.392CS..Hα-helixtrans-60.5-46.7172.8-67.8167.2000110.6L741 E742 I747 L748 H749 V765 L768 K769 I772L741-I745 PolarHBondContact O-N 3.45Å; E742-I745 PolarHBondContact O-N 2.96Å; I745-I747 PolarHBondContact O-N 3.2Å; I745-L748 WeakPolarHBondContact O-CB 3.28Å; I745-L748 PolarHBondContact O-N 3.04Å; I745-L748 VanDerWaalsContact O-N 3.16Å; I745-H749 PolarHBondContact O-CD2 2.81Å; I745-H749 VanDerWaalsContact O-CD2 3.23Å; I745-H749 PolarHBondContact O-N 3Å; I745-V765 HydrophobicContact CG2-CG1 4.05Å; I745-V765 HydrophobicContact CG2-CG2 4.44Å; I745-L768 HydrophobicContact CD1-CB 3.79Å; I745-L768 HydrophobicContact CG1-CB 3.7Å; I745-L768 HydrophobicContact CG1-CD1 3.88Å; I745-L768 HydrophobicContact CG1-CG 4.46Å; I745-K769 HydrophobicContact CD1-CG 4.08Å; I745-I772 HydrophobicContact CD1-CD1 3.72Å
746A85.4Confident81.1Confident51 Ų5181.1 Ų81.142%0.42141%0.413SS..Hα-helixtrans-61.5-40.3177.200000113.1E742 K743 H749 L750E742-A746 PolarHBondContact O-N 3.15Å; K743-A746 PolarHBondContact O-N 3.34Å; A746-H749 PolarHBondContact O-N 3.48Å; A746-L750 PolarHBondContact O-N 3.11Å
747I84.6Confident79.9Confident88 Ų8879.5 Ų79.545%0.45141%0.41SS..Hα-helixtrans-65-38.4174.6-69.3163.4000111.3K743 R744 I745 L750 R751K743-I747 WeakPolarHBondContact O-CD1 3.29Å; K743-I747 VanDerWaalsContact O-CG1 3.26Å; K743-I747 WeakPolarHBondContact O-CG1 3.45Å; K743-I747 PolarHBondContact O-N 2.97Å; R744-I747 PolarHBondContact O-N 3.21Å; I745-I747 PolarHBondContact O-N 3.2Å; I747-L750 PolarHBondContact O-N 3.41Å; I747-R751 WeakPolarHBondContact O-CG 3.45Å; I747-R751 PolarHBondContact O-N 3.35Å
748L82.7Confident78.6Confident29 Ų2980.5 Ų80.515%0.15242%0.424CS..Hα-helixtrans-64.8-43.9175.2-75171.5000111.6R744 I745 L750 R751 A752 V761 L764 V765 L768R744-L748 WeakPolarHBondContact O-CG 3.39Å; R744-L748 PolarHBondContact O-N 3Å; I745-L748 WeakPolarHBondContact O-CB 3.28Å; I745-L748 PolarHBondContact O-N 3.04Å; I745-L748 VanDerWaalsContact O-N 3.16Å; L748-L750 PolarHBondContact O-N 2.85Å; L748-R751 PolarHBondContact O-N 3.45Å; L748-A752 PolarHBondContact O-N 2.92Å; L748-V761 HydrophobicContact CB-CG1 4.07Å; L748-L764 HydrophobicContact CD1-CB 4.18Å; L748-V765 HydrophobicContact CB-CG2 4.04Å; L748-V765 HydrophobicContact CD1-CG2 4.09Å; L748-L768 HydrophobicContact CD1-CD1 3.65Å
749H83.3Confident77.6Confident98 Ų9884.3 Ų84.345%0.45445%0.449SS..Hα-helixtrans-61.7-42.2174.3-75.6-61.5000112.7I745 A746 R751 A752 A753I745-H749 PolarHBondContact O-CD2 2.81Å; I745-H749 VanDerWaalsContact O-CD2 3.23Å; I745-H749 PolarHBondContact O-N 3Å; A746-H749 PolarHBondContact O-N 3.48Å; H749-R751 VanDerWaalsContact C-N 3.32Å; H749-R751 PolarHBondContact O-N 3.47Å; H749-A752 PolarHBondContact O-N 3.5Å; H749-A753 WeakPolarHBondContact O-CB 3.46Å; H749-A753 PolarHBondContact O-N 3.48Å
750L82.5Confident77.2Confident113 Ų11387.5 Ų87.559%0.59246%0.464SS*.Hα-helixtrans-62.4-36.9174.5-78.7167.2000112.8A746 I747 L748 N754A746-L750 PolarHBondContact O-N 3.11Å; I747-L750 PolarHBondContact O-N 3.41Å; L748-L750 PolarHBondContact O-N 2.85Å; L750-N754 WeakPolarHBondContact O-CB 3.32Å; L750-N754 PolarHBondContact O-N 3.36Å; L750-N754 VanDerWaalsContact O-N 3.12Å
751R81Confident76.8Confident138 Ų13884.6 Ų84.652%0.52145%0.449SS..Hα-helixtrans-68.9-37175.9-74.8174.8177-170.4-2.2112.8I747 L748 H749 M756I747-R751 WeakPolarHBondContact O-CG 3.45Å; I747-R751 PolarHBondContact O-N 3.35Å; L748-R751 PolarHBondContact O-N 3.45Å; H749-R751 VanDerWaalsContact C-N 3.32Å; H749-R751 PolarHBondContact O-N 3.47Å; R751-M756 PolarHBondContact O-N 3.26Å
752A78.7Confident76.6Confident36 Ų3687.9 Ų87.930%0.29847%0.472SS..Hα-helixtrans-67.1-46.2173.600000111.5L748 H749 N754 N755 V761L748-A752 PolarHBondContact O-N 2.92Å; H749-A752 PolarHBondContact O-N 3.5Å; A752-N754 VanDerWaalsContact C-N 3.26Å; A752-N754 PolarHBondContact O-N 2.92Å; A752-N755 PolarHBondContact O-N 3.09Å; A752-V761 HydrophobicContact CB-CG1 4.19Å; A752-V761 HydrophobicContact CB-CG2 4.43Å
753A78.5Confident76.4Confident76 Ų7690.5 Ų90.563%0.62849%0.486SS*.Hα-helixtrans-61-32.6178.400000113.3H749 N755H749-A753 WeakPolarHBondContact O-CB 3.46Å; H749-A753 PolarHBondContact O-N 3.48Å; A753-N755 VanDerWaalsContact C-N 3.25Å; A753-N755 PolarHBondContact O-N 3.47Å
754N78.6Confident76.4Confident109 Ų10989.8 Ų89.858%0.58349%0.486SS*.THydrogen-bonded Turntrans-84.212.8176.5-69.5-8.2000113.8L750 A752 M756L750-N754 WeakPolarHBondContact O-CB 3.32Å; L750-N754 PolarHBondContact O-N 3.36Å; L750-N754 VanDerWaalsContact O-N 3.12Å; A752-N754 VanDerWaalsContact C-N 3.26Å; A752-N754 PolarHBondContact O-N 2.92Å; N754-M756 HydrophobicContact CB-CG 3.8Å; N754-M756 HydrophobicContact CB-SD 4.29Å; N754-M756 VanDerWaalsContact O-CG 3.31Å; N754-M756 WeakPolarHBondContact O-CG 3.34Å; N754-M756 PolarHBondContact O-N 3.16Å
755N67.3Low76.3Confident136 Ų13682.9 Ų82.973%0.72746%0.46SS*.THydrogen-bonded Turntrans53.223.1-175.8-72-20.5000114.8A752 A753A752-N755 PolarHBondContact O-N 3.09Å; A753-N755 VanDerWaalsContact C-N 3.25Å; A753-N755 PolarHBondContact O-N 3.47Å
756M59.6Low76.3Confident143 Ų14386.1 Ų86.170%0.70448%0.478SS*.SBendtrans-86.5-15.2-174-57.4-164.585.600113.7R751 N754R751-M756 PolarHBondContact O-N 3.26Å; N754-M756 HydrophobicContact CB-CG 3.8Å; N754-M756 HydrophobicContact CB-SD 4.29Å; N754-M756 VanDerWaalsContact O-CG 3.31Å; N754-M756 WeakPolarHBondContact O-CG 3.34Å; N754-M756 PolarHBondContact O-N 3.16Å
757V59.3Low76.4Confident62 Ų6286.8 Ų86.838%0.37648%0.476SS..  trans-150.3125.3175.9-173.50000108.3V761V757-V761 HydrophobicContact CB-CG2 4.03Å; V757-V761 HydrophobicContact CG1-CG2 3.84Å
758T57Low76.5Confident121 Ų12183.3 Ų83.374%0.74246%0.459SS*.  trans-120.4-6.3-166.448.10000116.8
759T62.7Low76.6Confident106 Ų10686.7 Ų86.765%0.6547%0.472SS*.SBendtrans-112.1-48.1-174.655.20000115.7
760D75.3Confident76.8Confident104 Ų10487.5 Ų87.556%0.55648%0.476SS*.SBendtrans-106.3-0.6-163.1-50.9-23.1000115.1M763 L764D760-M763 PolarHBondContact O-N 2.92Å; D760-L764 HydrophobicContact CB-CD1 4.41Å; D760-L764 PolarHBondContact O-N 2.69Å
761V74.9Confident77Confident11 Ų1186.3 Ų86.37%0.06747%0.468CS..Hα-helixtrans-60.5-43.6-171.5-176.10000113.9L748 A752 V757 M763 L764 V765L748-V761 HydrophobicContact CB-CG1 4.07Å; A752-V761 HydrophobicContact CB-CG1 4.19Å; A752-V761 HydrophobicContact CB-CG2 4.43Å; V757-V761 HydrophobicContact CB-CG2 4.03Å; V757-V761 HydrophobicContact CG1-CG2 3.84Å; V761-M763 PolarHBondContact O-N 3.08Å; V761-L764 PolarHBondContact O-N 2.95Å; V761-V765 HydrophobicContact CG1-CG2 4.1Å; V761-V765 WeakPolarHBondContact O-CG2 3.36Å; V761-V765 PolarHBondContact O-N 3.38Å
762P78.3Confident77.1Confident85 Ų8580.5 Ų80.555%0.55245%0.447SS*.Hα-helixtrans-59.3-48-179.4-24.835.5000112.8L764 V765 D766P762-L764 VanDerWaalsContact C-N 3.32Å; P762-L764 PolarHBondContact O-N 3.41Å; P762-V765 PolarHBondContact O-N 3.2Å; P762-V765 VanDerWaalsContact O-N 3.14Å; P762-D766 PolarHBondContact O-N 3.49Å
763M82.1Confident77.4Confident131 Ų13183.3 Ų83.365%0.64546%0.456SS*.Hα-helixtrans-63.1-38.7-178.4-160.4-148.483.600112.1D760 V761 T767D760-M763 PolarHBondContact O-N 2.92Å; V761-M763 PolarHBondContact O-N 3.08Å; M763-T767 WeakPolarHBondContact O-CB 3.47Å; M763-T767 PolarHBondContact O-N 3.12Å; M763-T767 PolarHBondContact O-OG1 2.85Å
764L82.6Confident77.7Confident80 Ų8082.9 Ų82.942%0.41944%0.443SS..Hα-helixtrans-65.5-43.1174.4-74.3167.6000112L748 D760 V761 P762 T767 L768L748-L764 HydrophobicContact CD1-CB 4.18Å; D760-L764 HydrophobicContact CB-CD1 4.41Å; D760-L764 PolarHBondContact O-N 2.69Å; V761-L764 PolarHBondContact O-N 2.95Å; P762-L764 VanDerWaalsContact C-N 3.32Å; P762-L764 PolarHBondContact O-N 3.41Å; L764-T767 PolarHBondContact O-N 3.01Å; L764-L768 VanDerWaalsContact O-CG 3.29Å; L764-L768 WeakPolarHBondContact O-CG 3.45Å; L764-L768 PolarHBondContact O-N 2.91Å; L764-L768 VanDerWaalsContact O-N 3.07Å
765V83Confident77.8Confident4 Ų479.1 Ų79.12%0.02442%0.422CS..Hα-helixtrans-63-44.3177.5165.60000110.9I745 L748 V761 P762 L768 K769I745-V765 HydrophobicContact CG2-CG1 4.05Å; I745-V765 HydrophobicContact CG2-CG2 4.44Å; L748-V765 HydrophobicContact CB-CG2 4.04Å; L748-V765 HydrophobicContact CD1-CG2 4.09Å; V761-V765 HydrophobicContact CG1-CG2 4.1Å; V761-V765 WeakPolarHBondContact O-CG2 3.36Å; V761-V765 PolarHBondContact O-N 3.38Å; P762-V765 PolarHBondContact O-N 3.2Å; P762-V765 VanDerWaalsContact O-N 3.14Å; V765-L768 PolarHBondContact O-N 3.17Å; V765-K769 HydrophobicContact CG1-CD 4.24Å; V765-K769 VanDerWaalsContact CG1-CE 3.46Å; V765-K769 HydrophobicContact CG1-CG 4.47Å; V765-K769 WeakPolarHBondContact O-CG 3.35Å; V765-K769 PolarHBondContact O-N 3.49Å
766D85.4Confident78.3Confident87 Ų8778.6 Ų78.647%0.46541%0.41SS..Hα-helixtrans-70.3-34.7-179.9-66.4-24.7000112.4P762 L768 K769 H770P762-D766 PolarHBondContact O-N 3.49Å; D766-L768 VanDerWaalsContact C-N 3.33Å; D766-L768 PolarHBondContact O-N 3.02Å; D766-K769 PolarHBondContact O-N 3.18Å; D766-K769 IonicContact OD1-NZ 2.72Å; D766-K769 PolarHBondContact OD1-NZ 2.76Å; D766-H770 WeakPolarHBondContact O-CB 3.44Å; D766-H770 PolarHBondContact O-N 2.68Å
767T87Confident79.4Confident65 Ų6576.5 Ų76.540%0.39940%0.398SS..Hα-helixtrans-59.1-43.1170.1-56.20000111.6M763 L764 H770 Q771M763-T767 WeakPolarHBondContact O-CB 3.47Å; M763-T767 PolarHBondContact O-N 3.12Å; M763-T767 PolarHBondContact O-OG1 2.85Å; L764-T767 PolarHBondContact O-N 3.01Å; T767-H770 PolarHBondContact O-N 2.73Å; T767-Q771 WeakPolarHBondContact O-CG 3.29Å; T767-Q771 PolarHBondContact O-N 3.08Å; T767-Q771 VanDerWaalsContact O-N 3.14Å
768L85.9Confident80.3Confident15 Ų1580.8 Ų80.88%0.07941%0.407CS..Hα-helixtrans-70.8-38.4178.2-67.2168.2000112.2L741 R744 I745 L748 L764 V765 D766 H770 Q771 I772L741-L768 HydrophobicContact CD2-CD2 3.69Å; R744-L768 HydrophobicContact CB-CD1 4.33Å; I745-L768 HydrophobicContact CD1-CB 3.79Å; I745-L768 HydrophobicContact CG1-CB 3.7Å; I745-L768 HydrophobicContact CG1-CD1 3.88Å; I745-L768 HydrophobicContact CG1-CG 4.46Å; L748-L768 HydrophobicContact CD1-CD1 3.65Å; L764-L768 VanDerWaalsContact O-CG 3.29Å; L764-L768 WeakPolarHBondContact O-CG 3.45Å; L764-L768 PolarHBondContact O-N 2.91Å; L764-L768 VanDerWaalsContact O-N 3.07Å; V765-L768 PolarHBondContact O-N 3.17Å; D766-L768 VanDerWaalsContact C-N 3.33Å; D766-L768 PolarHBondContact O-N 3.02Å; L768-H770 VanDerWaalsContact C-N 3.35Å; L768-Q771 WeakPolarHBondContact O-CB 3.43Å; L768-Q771 PolarHBondContact O-N 3.16Å; L768-I772 WeakPolarHBondContact O-CG1 3.42Å; L768-I772 PolarHBondContact O-N 3.16Å; L768-I772 VanDerWaalsContact O-N 3.09Å
769K86.1Confident81.1Confident100 Ų10076.4 Ų76.444%0.43538%0.379SS..Hα-helixtrans-61.4-42.3172.7-72.1173.2-170.9156.30111.7I745 V765 D766 Q771 I772 L773I745-K769 HydrophobicContact CD1-CG 4.08Å; V765-K769 HydrophobicContact CG1-CD 4.24Å; V765-K769 VanDerWaalsContact CG1-CE 3.46Å; V765-K769 HydrophobicContact CG1-CG 4.47Å; V765-K769 WeakPolarHBondContact O-CG 3.35Å; V765-K769 PolarHBondContact O-N 3.49Å; D766-K769 PolarHBondContact O-N 3.18Å; D766-K769 IonicContact OD1-NZ 2.72Å; D766-K769 PolarHBondContact OD1-NZ 2.76Å; K769-Q771 VanDerWaalsContact C-N 3.32Å; K769-Q771 PolarHBondContact O-N 2.96Å; K769-I772 PolarHBondContact O-N 2.64Å; K769-L773 PolarHBondContact O-N 3.34Å
770H87.6Confident81.6Confident116 Ų11676.6 Ų76.654%0.53738%0.375SS..Hα-helixtrans-62.5-38.9176.6-173-98.9000111.8D766 T767 L768 L773 L774D766-H770 WeakPolarHBondContact O-CB 3.44Å; D766-H770 PolarHBondContact O-N 2.68Å; T767-H770 PolarHBondContact O-N 2.73Å; L768-H770 VanDerWaalsContact C-N 3.35Å; H770-L773 PolarHBondContact O-N 2.94Å; H770-L774 WeakPolarHBondContact O-CG 3.1Å; H770-L774 PolarHBondContact O-N 3.44Å
771Q85.4Confident81.7Confident88 Ų8877 Ų7741%0.41137%0.374SS..Hα-helixtrans-61.5-42.7172.4-73.1-180-8.100112.6L741 T767 L768 K769 L774 Q775L741-Q771 HydrophobicContact CD1-CB 4.28Å; T767-Q771 WeakPolarHBondContact O-CG 3.29Å; T767-Q771 PolarHBondContact O-N 3.08Å; T767-Q771 VanDerWaalsContact O-N 3.14Å; L768-Q771 WeakPolarHBondContact O-CB 3.43Å; L768-Q771 PolarHBondContact O-N 3.16Å; K769-Q771 VanDerWaalsContact C-N 3.32Å; K769-Q771 PolarHBondContact O-N 2.96Å; Q771-L774 PolarHBondContact O-N 3.45Å; Q771-Q775 WeakPolarHBondContact O-CG 3.36Å; Q771-Q775 PolarHBondContact O-N 2.76Å
772I83.5Confident81.5Confident16 Ų1680.3 Ų80.38%0.08239%0.388CS..Hα-helixtrans-62.2-42.1175.5-69.6162.9000111.1Q738 L741 E742 I745 L768 K769 Q775 R776Q738-I772 HydrophobicContact CG-CB 4.47Å; Q738-I772 HydrophobicContact CG-CG1 4.14Å; Q738-I772 HydrophobicContact CG-CG2 3.75Å; L741-I772 HydrophobicContact CB-CD1 3.9Å; L741-I772 HydrophobicContact CB-CG1 3.87Å; L741-I772 HydrophobicContact CD1-CG1 3.9Å; E742-I772 HydrophobicContact CG-CD1 3.83Å; I745-I772 HydrophobicContact CD1-CD1 3.72Å; L768-I772 WeakPolarHBondContact O-CG1 3.42Å; L768-I772 PolarHBondContact O-N 3.16Å; L768-I772 VanDerWaalsContact O-N 3.09Å; K769-I772 PolarHBondContact O-N 2.64Å; I772-Q775 PolarHBondContact O-N 3.5Å; I772-R776 PolarHBondContact O-N 3.43Å
773L85.1Confident81Confident94 Ų9479.7 Ų79.749%0.49238%0.378SS..Hα-helixtrans-64.5-44.8-179.9-163.8154.5000111.6K769 H770 Q775 R776 Q777K769-L773 PolarHBondContact O-N 3.34Å; H770-L773 PolarHBondContact O-N 2.94Å; L773-Q775 VanDerWaalsContact C-N 3.31Å; L773-Q775 PolarHBondContact O-N 2.99Å; L773-R776 PolarHBondContact O-N 2.67Å; L773-Q777 HydrophobicContact CD2-CG 4.36Å; L773-Q777 PolarHBondContact O-N 3.08Å; L773-Q777 VanDerWaalsContact O-N 3.1Å
774L85.1Confident80.4Confident67 Ų6777.2 Ų77.235%0.35137%0.37SS..Hα-helixtrans-61.9-35.5173.6-71.6173.9000112.9H770 Q771 R778H770-L774 WeakPolarHBondContact O-CG 3.1Å; H770-L774 PolarHBondContact O-N 3.44Å; Q771-L774 PolarHBondContact O-N 3.45Å; L774-R778 WeakPolarHBondContact O-CG 3.38Å; L774-R778 PolarHBondContact O-N 3.46Å
775Q80.3Confident79.7Confident30 Ų3078.9 Ų78.914%0.1438%0.376CS..Hα-helixtrans-65.8-43.2174.8-77.7178.1-27.400111.7Q737 Q771 I772 L773 Q777 R778 Q779Q737-Q775 VanDerWaalsContact OE1-NE2 3.14Å; Q771-Q775 WeakPolarHBondContact O-CG 3.36Å; Q771-Q775 PolarHBondContact O-N 2.76Å; I772-Q775 PolarHBondContact O-N 3.5Å; L773-Q775 VanDerWaalsContact C-N 3.31Å; L773-Q775 PolarHBondContact O-N 2.99Å; Q775-Q777 PolarHBondContact O-N 3.38Å; Q775-R778 PolarHBondContact O-N 2.92Å; Q775-Q779 PolarHBondContact O-N 3.16Å
776R78.4Confident78.9Confident126 Ų12680.3 Ų80.348%0.47539%0.385SS..Hα-helixtrans-64.3-38.2177.5-71.2-177.3-176.7-179.45113E742 I772 L773 Q779 L780E742-R776 IonicContact OE1-NH2 2.81Å; I772-R776 PolarHBondContact O-N 3.43Å; L773-R776 PolarHBondContact O-N 2.67Å; R776-Q779 PolarHBondContact O-N 3.32Å; R776-L780 WeakPolarHBondContact O-CG 2.95Å; R776-L780 PolarHBondContact O-N 3.44Å; R776-L780 VanDerWaalsContact O-N 3.15Å
777Q82Confident77.8Confident99 Ų9978.5 Ų78.546%0.46338%0.375SS..Hα-helixtrans-59.6-47.2173.7-74.4177.2-22.500111.5L773 Q775 Q779 L780 E781L773-Q777 HydrophobicContact CD2-CG 4.36Å; L773-Q777 PolarHBondContact O-N 3.08Å; L773-Q777 VanDerWaalsContact O-N 3.1Å; Q775-Q777 PolarHBondContact O-N 3.38Å; Q777-Q779 VanDerWaalsContact C-N 3.32Å; Q777-Q779 PolarHBondContact O-N 2.95Å; Q777-L780 PolarHBondContact O-N 3.31Å; Q777-E781 WeakPolarHBondContact O-CG 3.35Å; Q777-E781 PolarHBondContact O-N 2.81Å
778R79.3Confident76.6Confident151 Ų15180 Ų8057%0.5738%0.381SS*.Hα-helixtrans-62.9-33.8176.4-68.5175.4-177.7-178.31.2113.6L774 Q775 Q782L774-R778 WeakPolarHBondContact O-CG 3.38Å; L774-R778 PolarHBondContact O-N 3.46Å; Q775-R778 PolarHBondContact O-N 2.92Å; R778-Q782 WeakPolarHBondContact O-CB 3.38Å; R778-Q782 VanDerWaalsContact O-CG 3.32Å; R778-Q782 WeakPolarHBondContact O-CG 3.45Å; R778-Q782 PolarHBondContact O-N 3.38Å
779Q72.4Confident75.4Confident30 Ų3086.5 Ų86.514%0.1440%0.404CS..Hα-helixtrans-63-46.2174.3-76.5174.6-35.500111.5M734 Q775 R776 Q777 Q782 Q783M734-Q779 HydrophobicContact CB-CG 4.19Å; M734-Q779 HydrophobicContact CE-CG 3.66Å; M734-Q779 HydrophobicContact SD-CG 3.74Å; Q775-Q779 PolarHBondContact O-N 3.16Å; R776-Q779 PolarHBondContact O-N 3.32Å; Q777-Q779 VanDerWaalsContact C-N 3.32Å; Q777-Q779 PolarHBondContact O-N 2.95Å; Q779-Q782 PolarHBondContact O-N 2.76Å; Q779-Q783 WeakPolarHBondContact O-CG 3.32Å; Q779-Q783 PolarHBondContact O-N 3.31Å
780L74.7Confident73.9Confident110 Ų11084 Ų8458%0.57640%0.397SS*.Hα-helixtrans-63.8-40.6178.4-67.7167.2000111.9R776 Q777 T784R776-L780 WeakPolarHBondContact O-CG 2.95Å; R776-L780 PolarHBondContact O-N 3.44Å; R776-L780 VanDerWaalsContact O-N 3.15Å; Q777-L780 PolarHBondContact O-N 3.31Å; L780-T784 WeakPolarHBondContact O-CB 3.46Å; L780-T784 WeakPolarHBondContact O-CG2 3.28Å; L780-T784 PolarHBondContact O-N 2.92Å; L780-T784 PolarHBondContact O-OG1 3.08Å
781E76.6Confident72.2Confident112 Ų11284.5 Ų84.552%0.52340%0.403SS..Hα-helixtrans-62.4-41.7173.5-70.4171176.200112.4Q777 T784 Q785Q777-E781 WeakPolarHBondContact O-CG 3.35Å; Q777-E781 PolarHBondContact O-N 2.81Å; E781-T784 WeakPolarHBondContact CA-OG1 3.49Å; E781-T784 PolarHBondContact O-OG1 2.87Å; E781-T784 VanDerWaalsContact O-OG1 3.09Å; E781-Q785 WeakPolarHBondContact O-CB 3.43Å; E781-Q785 VanDerWaalsContact O-CG 3.3Å; E781-Q785 WeakPolarHBondContact O-CG 3.48Å; E781-Q785 PolarHBondContact O-N 2.94Å; E781-Q785 VanDerWaalsContact O-N 3.09Å
782Q71.2Confident70.4Confident81 Ų8187.2 Ų87.238%0.37942%0.42SS..Hα-helixtrans-71.1-42.5178.5-74.417822.100112.5R778 Q779 Q785 V786R778-Q782 WeakPolarHBondContact O-CB 3.38Å; R778-Q782 VanDerWaalsContact O-CG 3.32Å; R778-Q782 WeakPolarHBondContact O-CG 3.45Å; R778-Q782 PolarHBondContact O-N 3.38Å; Q779-Q782 PolarHBondContact O-N 2.76Å; Q782-Q785 PolarHBondContact O-N 2.9Å; Q782-V786 WeakPolarHBondContact O-CG2 3.44Å; Q782-V786 PolarHBondContact O-N 3.04Å; Q782-V786 VanDerWaalsContact O-N 3.09Å
783Q67.2Low68.6Low72 Ų7290.6 Ų90.634%0.33645%0.445SS..Hα-helixtrans-60.9-49.4176.1-76.9177.5-17.100110.7E731 Q779 Q785 V786 D787E731-Q783 PolarHBondContact OE1-NE2 3.12Å; Q779-Q783 WeakPolarHBondContact O-CG 3.32Å; Q779-Q783 PolarHBondContact O-N 3.31Å; Q783-Q785 VanDerWaalsContact C-N 3.33Å; Q783-Q785 PolarHBondContact O-N 3.08Å; Q783-V786 PolarHBondContact O-N 3.12Å; Q783-V786 VanDerWaalsContact O-N 3.13Å; Q783-D787 WeakPolarHBondContact O-CB 3.47Å; Q783-D787 PolarHBondContact O-N 3.1Å
784T68.7Low66.2Low78 Ų7889.5 Ų89.548%0.47945%0.45SS..Hα-helixtrans-61.6-36.5177.648.40000113.2L780 E781 N788L780-T784 WeakPolarHBondContact O-CB 3.46Å; L780-T784 WeakPolarHBondContact O-CG2 3.28Å; L780-T784 PolarHBondContact O-N 2.92Å; L780-T784 PolarHBondContact O-OG1 3.08Å; E781-T784 WeakPolarHBondContact CA-OG1 3.49Å; E781-T784 PolarHBondContact O-OG1 2.87Å; E781-T784 VanDerWaalsContact O-OG1 3.09Å; T784-N788 VanDerWaalsContact O-CB 3.23Å; T784-N788 WeakPolarHBondContact O-CB 3.38Å; T784-N788 PolarHBondContact O-N 3.02Å; T784-N788 PolarHBondContact O-ND2 3.38Å; T784-N788 VanDerWaalsContact O-ND2 3.12Å
785Q68.1Low63.7Low115 Ų11591.5 Ų91.554%0.53747%0.467SS..Hα-helixtrans-64.7-39.8173.3-76.6-179.626.700113.4E781 Q782 Q783 R789E781-Q785 WeakPolarHBondContact O-CB 3.43Å; E781-Q785 VanDerWaalsContact O-CG 3.3Å; E781-Q785 WeakPolarHBondContact O-CG 3.48Å; E781-Q785 PolarHBondContact O-N 2.94Å; E781-Q785 VanDerWaalsContact O-N 3.09Å; Q782-Q785 PolarHBondContact O-N 2.9Å; Q783-Q785 VanDerWaalsContact C-N 3.33Å; Q783-Q785 PolarHBondContact O-N 3.08Å; Q785-R789 VanDerWaalsContact O-CG 3.32Å; Q785-R789 WeakPolarHBondContact O-CG 3.46Å; Q785-R789 PolarHBondContact O-N 3.25Å
786V66.3Low61.4Low35 Ų3595.7 Ų95.721%0.21250%0.5CS..Hα-helixtrans-74-41.8179.2174.10000111.4A727 Q782 Q783 R789 T790A727-V786 HydrophobicContact CB-CG2 4.24Å; Q782-V786 WeakPolarHBondContact O-CG2 3.44Å; Q782-V786 PolarHBondContact O-N 3.04Å; Q782-V786 VanDerWaalsContact O-N 3.09Å; Q783-V786 PolarHBondContact O-N 3.12Å; Q783-V786 VanDerWaalsContact O-N 3.13Å; V786-R789 PolarHBondContact O-N 2.77Å; V786-T790 PolarHBondContact O-N 2.72Å; V786-T790 PolarHBondContact O-OG1 3.05Å
787D63.3Low59.4Low48 Ų4895.2 Ų95.226%0.25751%0.511SS..Hα-helixtrans-65.2-42.2177.6-73.1-37.8000111.4R285 Q783 R789 T790 L791R285-D787 IonicContact CZ-OD1 3.82Å; R285-D787 IonicContact NH1-OD1 2.66Å; R285-D787 PolarHBondContact NH1-OD1 3.21Å; Q783-D787 WeakPolarHBondContact O-CB 3.47Å; Q783-D787 PolarHBondContact O-N 3.1Å; D787-R789 VanDerWaalsContact C-N 3.3Å; D787-R789 PolarHBondContact O-N 3.24Å; D787-T790 WeakPolarHBondContact CA-OG1 3.49Å; D787-T790 PolarHBondContact O-N 3.43Å; D787-T790 PolarHBondContact O-OG1 3.19Å; D787-T790 VanDerWaalsContact O-OG1 3.12Å; D787-L791 WeakPolarHBondContact O-CB 3.33Å; D787-L791 WeakPolarHBondContact O-CG 3.34Å; D787-L791 PolarHBondContact O-N 3.11Å
788N62Low56.9Low97 Ų9795.3 Ų95.352%0.51952%0.522SS..Hα-helixtrans-64.2-31.7174.7-73.3-23.7000113.3T784 N792T784-N788 VanDerWaalsContact O-CB 3.23Å; T784-N788 WeakPolarHBondContact O-CB 3.38Å; T784-N788 PolarHBondContact O-N 3.02Å; T784-N788 PolarHBondContact O-ND2 3.38Å; T784-N788 VanDerWaalsContact O-ND2 3.12Å; N788-N792 VanDerWaalsContact O-CG 3.3Å; N788-N792 PolarHBondContact O-N 2.64Å; N788-N792 PolarHBondContact O-ND2 3.29Å; N788-N792 VanDerWaalsContact O-ND2 3.16Å
789R59.6Low54.8Low152 Ų15299.2 Ų99.257%0.57454%0.538SS*.Hα-helixtrans-75-42.4175.7-75.8177.7-176.5-162.22.8112.5E723 Q785 V786 D787 N792 S793E723-R789 IonicContact OE2-NH1 3.87Å; Q785-R789 VanDerWaalsContact O-CG 3.32Å; Q785-R789 WeakPolarHBondContact O-CG 3.46Å; Q785-R789 PolarHBondContact O-N 3.25Å; V786-R789 PolarHBondContact O-N 2.77Å; D787-R789 VanDerWaalsContact C-N 3.3Å; D787-R789 PolarHBondContact O-N 3.24Å; R789-N792 PolarHBondContact O-N 2.76Å; R789-S793 PolarHBondContact O-N 3.12Å; R789-S793 VanDerWaalsContact O-N 3.16Å; R789-S793 PolarHBondContact O-OG 3.49Å
790T55.8Low52.9Low47 Ų47102.9 Ų102.929%0.28857%0.567SS.*Hα-helixtrans-69.8-32.2179.647.70000112.8V786 D787 S793V786-T790 PolarHBondContact O-N 2.72Å; V786-T790 PolarHBondContact O-OG1 3.05Å; D787-T790 WeakPolarHBondContact CA-OG1 3.49Å; D787-T790 PolarHBondContact O-N 3.43Å; D787-T790 PolarHBondContact O-OG1 3.19Å; D787-T790 VanDerWaalsContact O-OG1 3.12Å; T790-S793 WeakPolarHBondContact CA-OG 3.42Å; T790-S793 PolarHBondContact O-N 3.4Å; T790-S793 PolarHBondContact O-OG 3.07Å; T790-S793 VanDerWaalsContact O-OG 3.08Å
791L51.3Low50.7Low126 Ų126107 Ų10766%0.6658%0.584SS**Hα-helixtrans-63.8-39169.2-76.5165.3000112.3D787 S793D787-L791 WeakPolarHBondContact O-CB 3.33Å; D787-L791 WeakPolarHBondContact O-CG 3.34Å; D787-L791 PolarHBondContact O-N 3.11Å; L791-S793 VanDerWaalsContact C-N 3.32Å; L791-S793 PolarHBondContact O-N 2.69Å
792N46.8Very low48.6Very low145 Ų145117.3 Ų117.378%0.77562%0.618SS**Hα-helixtrans-77.9-10.9179.4-73-21.3000114.3N788 R789N788-N792 VanDerWaalsContact O-CG 3.3Å; N788-N792 PolarHBondContact O-N 2.64Å; N788-N792 PolarHBondContact O-ND2 3.29Å; N788-N792 VanDerWaalsContact O-ND2 3.16Å; R789-N792 PolarHBondContact O-N 2.76Å
793S46.6Very low47.5Very low87 Ų87119.1 Ų119.161%0.60863%0.63SS**THydrogen-bonded Turntrans-990.2176.961.70000114.3R789 T790 L791 P795R789-S793 PolarHBondContact O-N 3.12Å; R789-S793 VanDerWaalsContact O-N 3.16Å; R789-S793 PolarHBondContact O-OG 3.49Å; T790-S793 WeakPolarHBondContact CA-OG 3.42Å; T790-S793 PolarHBondContact O-N 3.4Å; T790-S793 PolarHBondContact O-OG 3.07Å; T790-S793 VanDerWaalsContact O-OG 3.08Å; L791-S793 VanDerWaalsContact C-N 3.32Å; L791-S793 PolarHBondContact O-N 2.69Å; S793-P795 WeakPolarHBondContact O-CD 3.43Å
794A34.7Very low46.4Very low72 Ų72121.6 Ų121.660%0.59565%0.645SS**  trans-71.311817800000110.7S796A794-S796 PolarHBondContact O-N 3.03Å
795P32.8Very low45.2Very low109 Ų109124 Ų12471%0.70865%0.654SS**  trans-67.6136.1174.928.5-33.5000109.9S793 V797S793-P795 WeakPolarHBondContact O-CD 3.43Å; P795-V797 VanDerWaalsContact C-N 3.34Å; P795-V797 PolarHBondContact O-N 3.37Å
796S30.7Very low43.8Very low118 Ų118124.5 Ų124.583%0.82566%0.661SS**  trans-68.888.8174.856.60000110.4A794 S798A794-S796 PolarHBondContact O-N 3.03Å; S796-S798 PolarHBondContact O-N 3.21Å
797V36.6Very low42.4Very low116 Ų116130.1 Ų130.170%0.70369%0.689SS**  trans-71.197.4174.5-178.10000109P795 Y799P795-V797 VanDerWaalsContact C-N 3.34Å; P795-V797 PolarHBondContact O-N 3.37Å; V797-Y799 PolarHBondContact O-N 3.3Å
798S29.8Very low41Very low100 Ų100135.6 Ų135.670%0.69972%0.718SS**  trans-66.2112.3169.754.30000109.9S796 S800S796-S798 PolarHBondContact O-N 3.21Å; S798-S800 PolarHBondContact O-N 3.41Å
799Y34.8Very low39.5Very low233 Ų233138.4 Ų138.491%0.91473%0.733SS**  trans-64.2105.9167.4-88.7-95.1000109.8V797V797-Y799 PolarHBondContact O-N 3.3Å
800S33.5Very low38Very low107 Ų107137.3 Ų137.375%0.74875%0.745SS**  trans-109118.116163.40000109S798S798-S800 PolarHBondContact O-N 3.41Å
801Q28.8Very low36.5Very low197 Ų197144.8 Ų144.892%0.92178%0.783SS**  trans-66.8129.2179.1-64.6169.7-38.700111.3
802R31.8Very low35.2Very low328 Ų328146.5 Ų146.5100%1.23879%0.794SS**  trans-154.20152-98.8-172.4-174-1741.5109.7

Retrieved 802 of 802 residues in 5200.8 ms (Link to these results)

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