A0A5K4FH32_SCHMA Loading...

Membralin

AlphaFold DB , UniProt , Accession A0A5K4FH32, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 600 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
1M66.1Low61.8Low137 Ų13779.6 Ų79.668%0.67542%0.423SS*.  0-77.30-78.2-60.5-176.400112.7L3 H4 L5 F449M1-L3 PolarHBondContact O-N 3.28Å; M1-H4 PolarHBondContact O-N 3.43Å; M1-H4 VanDerWaalsContact O-N 3.14Å; M1-L5 PolarHBondContact O-N 3.4Å; M1-F449 HydrophobicContact SD-CE2 4.44Å
2H67.9Low61.1Low149 Ų14979.8 Ų79.869%0.6943%0.429SS*.Hα-helixtrans-54-52-171.9-172.8-84.3000113.5H4 L5 T6H2-H4 PolarHBondContact O-N 3.02Å; H2-L5 WeakPolarHBondContact O-CA 3.22Å; H2-L5 WeakPolarHBondContact O-CB 3.28Å; H2-L5 PolarHBondContact O-N 3.49Å; H2-T6 PolarHBondContact CE1-OG1 3.03Å; H2-T6 PolarHBondContact ND1-OG1 3.09Å; H2-T6 PolarHBondContact O-N 3.4Å; H2-T6 PolarHBondContact O-OG1 2.88Å
3L65.8Low61.6Low64 Ų6475 Ų7534%0.33540%0.404SS..Hα-helixtrans-53.8-47.2176.9-64.2170.4000112.7M1 L5 T6 F7 L282 V456M1-L3 PolarHBondContact O-N 3.28Å; L3-L5 VanDerWaalsContact C-N 3.33Å; L3-L5 PolarHBondContact O-N 3.41Å; L3-T6 WeakPolarHBondContact O-CB 3.36Å; L3-T6 PolarHBondContact O-N 2.96Å; L3-T6 VanDerWaalsContact O-N 3.1Å; L3-F7 HydrophobicContact CB-CD2 4.32Å; L3-F7 HydrophobicContact CB-CE2 4.32Å; L3-F7 HydrophobicContact CD2-CE2 4.14Å; L3-F7 WeakPolarHBondContact O-CD2 3.35Å; L3-F7 PolarHBondContact O-N 3.29Å; L3-L282 HydrophobicContact CD2-CD1 4.37Å; L3-V456 HydrophobicContact CD1-CG1 4.01Å
4H66.1Low62.4Low10 Ų1070.4 Ų70.45%0.04638%0.38CS..Hα-helixtrans-60.1-41.1176.2-171.3-80.7000112.4M1 H2 V8 Y445 F449 Q452M1-H4 PolarHBondContact O-N 3.43Å; M1-H4 VanDerWaalsContact O-N 3.14Å; H2-H4 PolarHBondContact O-N 3.02Å; H4-V8 WeakPolarHBondContact CE1-CG1 3.39Å; H4-V8 WeakPolarHBondContact O-CA 3.39Å; H4-V8 VanDerWaalsContact O-CB 3.26Å; H4-V8 WeakPolarHBondContact O-CB 3.43Å; H4-V8 PolarHBondContact O-N 2.94Å; H4-Y445 HydrophobicContact CB-CE2 3.99Å; H4-Y445 PolarHBondContact CD2-OH 3.32Å; H4-F449 AromaticContact CD2-CG 3.94Å; H4-F449 AromaticContact CE1-CD1 3.12Å; H4-F449 WeakPolarHBondContact CE1-CD1 3.43Å; H4-F449 AromaticContact CE1-CE1 3.36Å; H4-F449 WeakPolarHBondContact CE1-CE1 3.08Å; H4-F449 AromaticContact ND1-CD1 3.68Å; H4-F449 AromaticContact ND1-CE1 3.56Å; H4-F449 AromaticContact ND1-CZ 3.97Å; H4-F449 AromaticContact NE2-CD1 3.67Å; H4-F449 AromaticContact NE2-CG 3.75Å; H4-Q452 PolarHBondContact NE2-OE1 2.91Å
5L66.7Low63.4Low80 Ų8065.7 Ų65.742%0.41936%0.355SS..Hα-helixtrans-63.7-43.4173.2-64.5178.7000111.3M1 H2 L3 K9 S10M1-L5 PolarHBondContact O-N 3.4Å; H2-L5 WeakPolarHBondContact O-CA 3.22Å; H2-L5 WeakPolarHBondContact O-CB 3.28Å; H2-L5 PolarHBondContact O-N 3.49Å; L3-L5 VanDerWaalsContact C-N 3.33Å; L3-L5 PolarHBondContact O-N 3.41Å; L5-K9 HydrophobicContact CD2-CB 4.35Å; L5-K9 HydrophobicContact CD2-CD 3.84Å; L5-K9 HydrophobicContact CD2-CG 4.4Å; L5-K9 CarbonylContact O-C 3.5Å; L5-K9 PolarHBondContact O-N 3.34Å; L5-K9 VanDerWaalsContact O-N 3.14Å; L5-S10 PolarHBondContact O-N 3.44Å
6T64.1Low64.2Low57 Ų5765.6 Ų65.635%0.3536%0.355SS..Hα-helixtrans-59.1-47.2177.7-51.70000112.2H2 L3 S10H2-T6 PolarHBondContact CE1-OG1 3.03Å; H2-T6 PolarHBondContact ND1-OG1 3.09Å; H2-T6 PolarHBondContact O-N 3.4Å; H2-T6 PolarHBondContact O-OG1 2.88Å; L3-T6 WeakPolarHBondContact O-CB 3.36Å; L3-T6 PolarHBondContact O-N 2.96Å; L3-T6 VanDerWaalsContact O-N 3.1Å; T6-S10 VanDerWaalsContact O-CB 3.24Å; T6-S10 WeakPolarHBondContact O-CB 3.08Å
7F63.9Low64.9Low22 Ų2268.5 Ų68.510%0.09637%0.365CS..Hα-helixtrans-91-26.7-173.2-65.6-60.2000115.3L3 M283 L287 L292 F453L3-F7 HydrophobicContact CB-CD2 4.32Å; L3-F7 HydrophobicContact CB-CE2 4.32Å; L3-F7 HydrophobicContact CD2-CE2 4.14Å; L3-F7 WeakPolarHBondContact O-CD2 3.35Å; L3-F7 PolarHBondContact O-N 3.29Å; F7-M283 HydrophobicContact CD1-SD 4.22Å; F7-M283 HydrophobicContact CE1-CE 3.99Å; F7-M283 HydrophobicContact CE1-CG 4.3Å; F7-M283 HydrophobicContact CE1-SD 3.58Å; F7-M283 VanDerWaalsContact CE1-SD 3.58Å; F7-M283 HydrophobicContact CZ-CG 4.12Å; F7-M283 HydrophobicContact CZ-SD 4.01Å; F7-L287 HydrophobicContact CE2-CD1 3.85Å; F7-L287 HydrophobicContact CZ-CD1 4.17Å; F7-L292 HydrophobicContact CB-CD1 4.1Å; F7-L292 HydrophobicContact CD1-CD1 3.91Å; F7-L292 HydrophobicContact CG-CD1 4.37Å; F7-F453 HydrophobicContact CB-CE2 4.12Å; F7-F453 HydrophobicContact CB-CZ 4.11Å; F7-F453 HydrophobicContact CD2-CE2 4.23Å; F7-F453 AromaticContact CD2-CZ 3.98Å; F7-F453 HydrophobicContact CD2-CZ 3.98Å; F7-F453 HydrophobicContact CG-CZ 4.25Å
8V61.7Low65.5Low30 Ų3064.7 Ų64.718%0.18234%0.344CS..Hα-helixtrans-118.8-10.1-169.2-166.30000113.1H4 F453H4-V8 WeakPolarHBondContact CE1-CG1 3.39Å; H4-V8 WeakPolarHBondContact O-CA 3.39Å; H4-V8 VanDerWaalsContact O-CB 3.26Å; H4-V8 WeakPolarHBondContact O-CB 3.43Å; H4-V8 PolarHBondContact O-N 2.94Å; V8-F453 HydrophobicContact CG2-CE2 4.04Å
9K57.6Low65.9Low137 Ų13764.4 Ų64.460%0.59634%0.338SS*.THydrogen-bonded Turntrans-132.9-19.3176.3-67-164.1-176.11770116L5L5-K9 HydrophobicContact CD2-CB 4.35Å; L5-K9 HydrophobicContact CD2-CD 3.84Å; L5-K9 HydrophobicContact CD2-CG 4.4Å; L5-K9 CarbonylContact O-C 3.5Å; L5-K9 PolarHBondContact O-N 3.34Å; L5-K9 VanDerWaalsContact O-N 3.14Å
10S52.1Low66Low69 Ų6965.3 Ų65.348%0.48335%0.35SS..SBendtrans-79.1147.6173.9-135.10000110.4L5 T6 V12L5-S10 PolarHBondContact O-N 3.44Å; T6-S10 VanDerWaalsContact O-CB 3.24Å; T6-S10 WeakPolarHBondContact O-CB 3.08Å; S10-V12 PolarHBondContact O-N 3.14Å; S10-V12 VanDerWaalsContact O-N 3.08Å
11P47.4Very low66.2Low121 Ų12165.8 Ų65.879%0.78635%0.35SS*.SBendtrans-95.267.3-147.737-38.5000115.4
12V54.1Low66.3Low82 Ų8259.2 Ų59.250%0.49732%0.318SS..  trans-14993.7147.8-169.20000109.8S10 C273S10-V12 PolarHBondContact O-N 3.14Å; S10-V12 VanDerWaalsContact O-N 3.08Å; V12-C273 HydrophobicContact CB-CB 4.31Å; V12-C273 HydrophobicContact CG1-CB 3.7Å
13T67.5Low65.9Low17 Ų1756.6 Ų56.610%0.10431%0.306CS..  trans-75.9134.915954.80000107.9L15 D16 Y299T13-L15 PolarHBondContact O-N 3.01Å; T13-D16 PolarHBondContact O-N 3.21Å; T13-Y299 HydrophobicContact CG2-CD1 3.85Å; T13-Y299 HydrophobicContact CG2-CD2 4.39Å; T13-Y299 HydrophobicContact CG2-CE1 4.44Å; T13-Y299 HydrophobicContact CG2-CG 3.83Å; T13-Y299 WeakPolarHBondContact OG1-CD1 3.24Å
14C72.6Confident65.2Low10 Ų1057.1 Ų57.17%0.06832%0.315CS..THydrogen-bonded Turntrans-55.4-25.9-173-59.30000113.5H17 L266 C273C14-H17 PolarHBondContact O-CE1 3.05Å; C14-H17 PolarHBondContact O-ND1 3.13Å; C14-L266 HydrophobicContact CB-CD1 3.66Å; C14-L266 HydrophobicContact CB-CD2 4.02Å; C14-C273 VanDerWaalsContact CA-SG 3.55Å; C14-C273 HydrophobicContact CB-CB 3.79Å; C14-C273 WeakPolarHBondContact CB-SG 3.26Å; C14-C273 WeakPolarHBondContact SG-CB 3.42Å; C14-C273 CovalentContact SG-SG 2.04Å; C14-C273 PolarHBondContact SG-SG 3.22Å
15L77.4Confident64.4Low1 Ų158.6 Ų58.61%0.00532%0.322CS..THydrogen-bonded Turntrans-98.41.9-173.4-50.6173.6000113.8T13 H17 L18 I65 I264 V297 L300T13-L15 PolarHBondContact O-N 3.01Å; L15-H17 PolarHBondContact O-N 2.68Å; L15-H17 VanDerWaalsContact O-N 3.1Å; L15-L18 HydrophobicContact CB-CD1 3.99Å; L15-L18 HydrophobicContact CD2-CD1 4.06Å; L15-L18 VanDerWaalsContact O-CB 3.32Å; L15-L18 WeakPolarHBondContact O-CB 3.49Å; L15-L18 PolarHBondContact O-N 3.45Å; L15-I65 HydrophobicContact CD1-CD1 3.61Å; L15-I65 HydrophobicContact CD2-CD1 3.98Å; L15-I65 HydrophobicContact CD2-CG1 4.39Å; L15-I65 HydrophobicContact CD2-CG2 4.47Å; L15-I65 HydrophobicContact CG-CD1 4.43Å; L15-I264 HydrophobicContact CD2-CD1 4.38Å; L15-V297 HydrophobicContact CD1-CB 4.4Å; L15-V297 HydrophobicContact CD1-CG2 3.55Å; L15-L300 HydrophobicContact CB-CD2 4.04Å; L15-L300 HydrophobicContact CD1-CD2 4.36Å
16D76.6Confident63.3Low64 Ų6462 Ų6234%0.34233%0.334SS..G310 helixtrans-62-23.1-176.7-156.233.9000112.5T13 L18 R19T13-D16 PolarHBondContact O-N 3.21Å; D16-L18 PolarHBondContact O-N 3.43Å; D16-R19 WeakPolarHBondContact O-CB 3.45Å; D16-R19 PolarHBondContact O-N 2.92Å; D16-R19 VanDerWaalsContact O-N 3.09Å; D16-R19 WeakPolarHBondContact OD1-CD 3.48Å; D16-R19 IonicContact OD1-CZ 3.54Å; D16-R19 IonicContact OD1-NE 2.69Å; D16-R19 IonicContact OD1-NH1 3.4Å; D16-R19 PolarHBondContact OD1-NH1 3.45Å; D16-R19 IonicContact OD2-NH1 2.94Å
17H75.5Confident62.4Low114 Ų11464.9 Ų64.953%0.52836%0.356SS..G310 helixtrans-62-26.2172.573.6-94000113.6C14 L15 R19 S20C14-H17 PolarHBondContact O-CE1 3.05Å; C14-H17 PolarHBondContact O-ND1 3.13Å; L15-H17 PolarHBondContact O-N 2.68Å; L15-H17 VanDerWaalsContact O-N 3.1Å; H17-R19 VanDerWaalsContact C-N 3.32Å; H17-S20 PolarHBondContact O-OG 3.1Å
18L75.8Confident61.3Low0 Ų066.8 Ų66.80%038%0.383CS..G310 helixtrans-80.1-13.4176.4-55.5171000112.9L15 D16 S20 E21 F22 W57 L63 I264 L300L15-L18 HydrophobicContact CB-CD1 3.99Å; L15-L18 HydrophobicContact CD2-CD1 4.06Å; L15-L18 VanDerWaalsContact O-CB 3.32Å; L15-L18 WeakPolarHBondContact O-CB 3.49Å; L15-L18 PolarHBondContact O-N 3.45Å; D16-L18 PolarHBondContact O-N 3.43Å; L18-S20 PolarHBondContact O-N 2.9Å; L18-S20 VanDerWaalsContact O-N 3.14Å; L18-E21 WeakPolarHBondContact CD2-OE2 3.36Å; L18-E21 WeakPolarHBondContact O-CB 3.37Å; L18-E21 PolarHBondContact O-N 2.93Å; L18-F22 HydrophobicContact CB-CD2 4.26Å; L18-F22 HydrophobicContact CB-CE2 4.28Å; L18-F22 WeakPolarHBondContact O-CD2 3.32Å; L18-F22 PolarHBondContact O-N 3.49Å; L18-W57 HydrophobicContact CD1-CH2 4.41Å; L18-L63 HydrophobicContact CD1-CD1 4.42Å; L18-L63 HydrophobicContact CD1-CD2 4.37Å; L18-I264 HydrophobicContact CD1-CD1 3.29Å; L18-I264 HydrophobicContact CD2-CD1 3.64Å; L18-I264 HydrophobicContact CG-CD1 3.94Å; L18-L300 HydrophobicContact CB-CD1 4.5Å; L18-L300 HydrophobicContact CB-CD2 4.37Å; L18-L300 HydrophobicContact CD1-CD2 4.11Å
19R74.2Confident60.3Low60 Ų6069.8 Ų69.823%0.22641%0.405CS..Hα-helixtrans-57.5-33.8-172.4-170.3-173.2-135.3146.3-0.8112.4D16 H17 Q23 Y299 L300D16-R19 WeakPolarHBondContact O-CB 3.45Å; D16-R19 PolarHBondContact O-N 2.92Å; D16-R19 VanDerWaalsContact O-N 3.09Å; D16-R19 WeakPolarHBondContact OD1-CD 3.48Å; D16-R19 IonicContact OD1-CZ 3.54Å; D16-R19 IonicContact OD1-NE 2.69Å; D16-R19 IonicContact OD1-NH1 3.4Å; D16-R19 PolarHBondContact OD1-NH1 3.45Å; D16-R19 IonicContact OD2-NH1 2.94Å; H17-R19 VanDerWaalsContact C-N 3.32Å; R19-Q23 HydrophobicContact CG-CG 4.3Å; R19-Q23 VanDerWaalsContact O-CB 3.28Å; R19-Q23 WeakPolarHBondContact O-CB 3.45Å; R19-Q23 VanDerWaalsContact O-CG 3.22Å; R19-Q23 WeakPolarHBondContact O-CG 3.02Å; R19-Q23 PolarHBondContact O-N 3.01Å; R19-Y299 PolarHBondContact NH1-OH 3.45Å; R19-Y299 VanDerWaalsContact NH2-CZ 3.3Å; R19-Y299 PolarHBondContact NH2-OH 3.43Å; R19-L300 HydrophobicContact CB-CD1 4.31Å
20S67.3Low59Low81 Ų8167 Ų6757%0.56642%0.415SS*.Hα-helixtrans-64.5-38.5175.154.50000112.8H17 L18 S24H17-S20 PolarHBondContact O-OG 3.1Å; L18-S20 PolarHBondContact O-N 2.9Å; L18-S20 VanDerWaalsContact O-N 3.14Å; S20-S24 WeakPolarHBondContact O-CB 3.36Å; S20-S24 PolarHBondContact O-N 2.69Å
21E69.8Low58.1Low76 Ų7669.6 Ų69.636%0.35543%0.428SS..Hα-helixtrans-66.5-49.3177.2-57.2-178.7153.800110.7L18 S24 K262L18-E21 WeakPolarHBondContact CD2-OE2 3.36Å; L18-E21 WeakPolarHBondContact O-CB 3.37Å; L18-E21 PolarHBondContact O-N 2.93Å; E21-S24 PolarHBondContact O-N 3.09Å; E21-S24 PolarHBondContact O-OG 2.93Å; E21-K262 IonicContact OE1-NZ 2.65Å; E21-K262 PolarHBondContact OE1-NZ 3.47Å; E21-K262 IonicContact OE2-NZ 3.67Å; E21-K262 PolarHBondContact OE2-NZ 2.79Å
22F67.5Low57.2Low0 Ų068.3 Ų68.30%042%0.421CS..Hα-helixtrans-55.2-56.6173.9-83.4-113.4000110.7L18 S24 I25 W57 P58 Y240 L300 E304L18-F22 HydrophobicContact CB-CD2 4.26Å; L18-F22 HydrophobicContact CB-CE2 4.28Å; L18-F22 WeakPolarHBondContact O-CD2 3.32Å; L18-F22 PolarHBondContact O-N 3.49Å; F22-S24 VanDerWaalsContact C-N 3.28Å; F22-S24 PolarHBondContact O-N 3.29Å; F22-I25 WeakPolarHBondContact O-CG1 3.24Å; F22-I25 PolarHBondContact O-N 2.65Å; F22-W57 HydrophobicContact CD2-CH2 4.41Å; F22-W57 AromaticContact CD2-CZ3 3.81Å; F22-W57 HydrophobicContact CD2-CZ3 3.81Å; F22-W57 HydrophobicContact CE2-CE3 4.28Å; F22-W57 AromaticContact CE2-CH2 3.53Å; F22-W57 HydrophobicContact CE2-CH2 3.53Å; F22-W57 AromaticContact CE2-CZ3 3.35Å; F22-W57 HydrophobicContact CE2-CZ3 3.35Å; F22-W57 HydrophobicContact CZ-CH2 4.19Å; F22-W57 HydrophobicContact CZ-CZ3 4.21Å; F22-P58 HydrophobicContact CD1-CG 3.84Å; F22-P58 HydrophobicContact CE1-CB 4.03Å; F22-P58 HydrophobicContact CE1-CG 3.66Å; F22-P58 HydrophobicContact CG-CG 4.47Å; F22-P58 HydrophobicContact CZ-CB 4.06Å; F22-P58 HydrophobicContact CZ-CG 4.14Å; F22-Y240 HydrophobicContact CE1-CE1 4.33Å; F22-Y240 HydrophobicContact CZ-CE1 4.36Å; F22-L300 HydrophobicContact CD1-CD1 4.47Å; F22-L300 HydrophobicContact CD1-CG 4.2Å; F22-L300 HydrophobicContact CD2-CD1 4.04Å; F22-L300 HydrophobicContact CD2-CD2 4.16Å; F22-L300 HydrophobicContact CD2-CG 4.19Å; F22-L300 HydrophobicContact CE1-CD2 4.15Å; F22-L300 HydrophobicContact CE1-CG 3.93Å; F22-L300 HydrophobicContact CE2-CD1 4.23Å; F22-L300 HydrophobicContact CE2-CD2 3.5Å; F22-L300 VanDerWaalsContact CE2-CD2 3.5Å; F22-L300 HydrophobicContact CE2-CG 3.93Å; F22-L300 HydrophobicContact CG-CD1 4.18Å; F22-L300 HydrophobicContact CG-CG 4.33Å; F22-L300 HydrophobicContact CZ-CD2 3.5Å; F22-L300 HydrophobicContact CZ-CG 3.8Å; F22-E304 HydrophobicContact CB-CG 4.45Å; F22-E304 HydrophobicContact CD1-CG 4.23Å; F22-E304 WeakPolarHBondContact CD1-OE2 3.38Å
23Q59.5Low56.1Low94 Ų9474.2 Ų74.244%0.43944%0.441SS..Hα-helixtrans-63.3-28.7-176-74178.2-9.700114.2R19 I25 K26R19-Q23 HydrophobicContact CG-CG 4.3Å; R19-Q23 VanDerWaalsContact O-CB 3.28Å; R19-Q23 WeakPolarHBondContact O-CB 3.45Å; R19-Q23 VanDerWaalsContact O-CG 3.22Å; R19-Q23 WeakPolarHBondContact O-CG 3.02Å; R19-Q23 PolarHBondContact O-N 3.01Å; Q23-I25 PolarHBondContact O-N 2.73Å; Q23-K26 PolarHBondContact O-N 2.75Å; Q23-K26 VanDerWaalsContact O-N 3.13Å
24S52Low54.6Low74 Ų7478.8 Ų78.852%0.51747%0.469SS..Hα-helixtrans-53.7-31.3-176.972.30000113.5S20 E21 F22 K26 S27S20-S24 WeakPolarHBondContact O-CB 3.36Å; S20-S24 PolarHBondContact O-N 2.69Å; E21-S24 PolarHBondContact O-N 3.09Å; E21-S24 PolarHBondContact O-OG 2.93Å; F22-S24 VanDerWaalsContact C-N 3.28Å; F22-S24 PolarHBondContact O-N 3.29Å; S24-K26 VanDerWaalsContact C-N 3.29Å; S24-K26 PolarHBondContact O-N 3.19Å; S24-S27 PolarHBondContact O-N 3.31Å
25I49.1Very low52.4Low41 Ų4183.8 Ų83.821%0.2150%0.504CS..Hα-helixtrans-62-37.6-176.2-54.4178.2000111.2F22 Q23 S27 G28 S56F22-I25 WeakPolarHBondContact O-CG1 3.24Å; F22-I25 PolarHBondContact O-N 2.65Å; Q23-I25 PolarHBondContact O-N 2.73Å; I25-S27 VanDerWaalsContact C-N 3.33Å; I25-S27 PolarHBondContact O-N 3.38Å; I25-G28 PolarHBondContact O-N 3.1Å; I25-S56 WeakPolarHBondContact CD1-OG 3.04Å; I25-S56 WeakPolarHBondContact CG1-OG 3.48Å
26K44.1Very low50.3Low151 Ų15194.8 Ų94.866%0.65755%0.546SS*.Hα-helixtrans-77.7-15.9-171.6-132.5167.4-168.1161.50114Q23 S24 E304Q23-K26 PolarHBondContact O-N 2.75Å; Q23-K26 VanDerWaalsContact O-N 3.13Å; S24-K26 VanDerWaalsContact C-N 3.29Å; S24-K26 PolarHBondContact O-N 3.19Å; K26-E304 PolarHBondContact NZ-O 3.26Å
27S45.6Very low48.4Very low118 Ų11897.8 Ų97.883%0.82557%0.566SS**Hα-helixtrans-94.1-12.4175.5-63.30000113.7S24 I25S24-S27 PolarHBondContact O-N 3.31Å; I25-S27 VanDerWaalsContact C-N 3.33Å; I25-S27 PolarHBondContact O-N 3.38Å
28G40.3Very low46.2Very low63 Ų63101.2 Ų101.265%0.64959%0.585SS**Hα-helixtrans-89.2-24.4178.600000114.9I25 G30I25-G28 PolarHBondContact O-N 3.1Å; G28-G30 VanDerWaalsContact C-N 3.31Å; G28-G30 PolarHBondContact O-N 3.43Å
29S39.7Very low44.3Very low92 Ų92108.5 Ų108.564%0.64362%0.624SS**  trans-87.152.9-16966.60000114.3V31S29-V31 PolarHBondContact O-N 3.23Å
30G31.3Very low42.4Very low79 Ų79110.7 Ų110.781%0.81464%0.644SS**  trans-79.74.9175.300000115.3G28 S32G28-G30 VanDerWaalsContact C-N 3.31Å; G28-G30 PolarHBondContact O-N 3.43Å; G30-S32 PolarHBondContact O-N 3.08Å
31V33.9Very low40.9Very low123 Ų123113.4 Ų113.475%0.74565%0.652SS**  trans-84.5116.1-174-1780000110.7S29 F33S29-V31 PolarHBondContact O-N 3.23Å; V31-F33 PolarHBondContact O-N 2.79Å; V31-F33 VanDerWaalsContact O-N 3.09Å
32S27Very low39.2Very low94 Ų94120.6 Ų120.666%0.65768%0.678SS**  trans-64.2104.6-178.8-173.10000112.5G30 T34G30-S32 PolarHBondContact O-N 3.08Å; S32-T34 PolarHBondContact O-N 2.93Å
33F32Very low37.4Very low206 Ų206132 Ų13290%0.90472%0.721SS**  trans-80.467.4167.7-115.8-83.7000110.7V31 S35V31-F33 PolarHBondContact O-N 2.79Å; V31-F33 VanDerWaalsContact O-N 3.09Å; F33-S35 PolarHBondContact O-N 3.06Å
34T34.6Very low36.2Very low114 Ų114132.8 Ų132.870%0.69974%0.736SS**  trans-63.8120.816740.60000109.9S32 R36S32-T34 PolarHBondContact O-N 2.93Å; T34-R36 PolarHBondContact O-N 3.44Å
35S28.2Very low35.3Very low114 Ų114138.2 Ų138.280%0.79775%0.751SS**  trans-52.3124.6175.3178.90000112.2F33F33-S35 PolarHBondContact O-N 3.06Å
36R32Very low34.5Very low233 Ų233139.6 Ų139.688%0.87978%0.775SS**  trans-147.5148147.4-148.9161.8-73.6-161.8-1.7109.9T34T34-R36 PolarHBondContact O-N 3.44Å
37T36Very low33.9Very low127 Ų127141 Ų14178%0.77979%0.79SS**  trans-71.9168.2-168.644.80000113.4
38M29.7Very low33.2Very low185 Ų185138.2 Ų138.291%0.91178%0.78SS**  trans-42.6139.3164-65.7167.6167.200111.6
39D35.6Very low32.9Very low153 Ų153140.1 Ų140.182%0.81878%0.783SS**  -153.4174.5120.6-130.9-41.6000112.2
40T35.4Very low32.6Very low107 Ų107144 Ų14466%0.65680%0.797SS**  trans-84.2164.7-160.551.20000116.3
41N35Very low32.8Very low138 Ų138144.7 Ų144.774%0.73879%0.789SS**  trans80.1105.5166.4-43.6-66.4000117.6
42Y35.7Very low32.7Very low227 Ų227148 Ų14889%0.8979%0.794SS**  -166.2109.3121.6-109.4-70.7000110.5
43W28.3Very low33.3Very low240 Ų240149.8 Ų149.891%0.90980%0.795SS**  trans-95120.2162-117.372.1000107.7
44S33.7Very low33.6Very low109 Ų109152.3 Ų152.376%0.76280%0.799SS**  trans-147.2133167.2-1690000110
45K33.7Very low34.2Very low188 Ų188152.3 Ų152.382%0.81779%0.791SS**  trans-83.6123.3175.6-73.9179.6173.7179.50109.2
46G32.8Very low35.6Very low70 Ų70149.2 Ų149.272%0.72277%0.769SS**  trans-138.5130.516900000110.2
47N30.8Very low36.9Very low181 Ų181140 Ų14097%0.96873%0.734SS**  trans-74126.1177.2-67.8-18000109.8
48G32.4Very low38.3Very low60 Ų60134.1 Ų134.162%0.61970%0.698SS**  trans-175.780.2-178.200000113.7
49S33.3Very low40Very low102 Ų102127.6 Ų127.671%0.71367%0.667SS**  trans7.5106.3163.555.80000118.6S51S49-S51 VanDerWaalsContact C-N 3.33Å; S49-S51 WeakPolarHBondContact O-CB 3.48Å; S49-S51 PolarHBondContact O-N 2.99Å; S49-S51 PolarHBondContact O-OG 3.33Å
50D32.5Very low41.7Very low174 Ų174126.3 Ų126.393%0.9365%0.651SS**SBendtrans34.749.3134.8-56.1-3.5000118
51S35.8Very low43.9Very low94 Ų94121.2 Ų121.266%0.65762%0.621SS**  trans-117.5-6.9-177.240.60000114.2S49S49-S51 VanDerWaalsContact C-N 3.33Å; S49-S51 WeakPolarHBondContact O-CB 3.48Å; S49-S51 PolarHBondContact O-N 2.99Å; S49-S51 PolarHBondContact O-OG 3.33Å
52F32.8Very low46.4Very low192 Ų192114.7 Ų114.784%0.84259%0.586SS**SBendtrans-98.5138.2173.9-83.6-99.6000111.4
53L39.6Very low49Very low132 Ų132103.9 Ų103.969%0.69154%0.543SS*.  trans72.232.4170.9-44.4178.1000118H55L53-H55 WeakPolarHBondContact CD2-NE2 3.42Å; L53-H55 PolarHBondContact O-N 2.94Å
54R37Very low51.9Low259 Ų25992.5 Ų92.598%0.97750%0.5SS*.  trans-70.867.7146.9-91.5-162.6177-145.70.7109.8S56R54-S56 PolarHBondContact O-N 3.43Å
55H48.9Very low54.5Low114 Ų11487.3 Ų87.353%0.52846%0.464SS..PPolyproline II helixtrans-69.9128.8169.1-75.8-52.5000109.5L53 W57 Y60L53-H55 WeakPolarHBondContact CD2-NE2 3.42Å; L53-H55 PolarHBondContact O-N 2.94Å; H55-W57 PolarHBondContact O-N 3.4Å; H55-Y60 HydrophobicContact CB-CD2 3.72Å; H55-Y60 HydrophobicContact CB-CE2 4.14Å; H55-Y60 AromaticContact CG-CE2 3.96Å
56S55.7Low57.1Low49 Ų4978.3 Ų78.334%0.34343%0.425SS..PPolyproline II helixtrans-71124.8-178.840.70000111.8I25 R54 N59I25-S56 WeakPolarHBondContact CD1-OG 3.04Å; I25-S56 WeakPolarHBondContact CG1-OG 3.48Å; R54-S56 PolarHBondContact O-N 3.43Å; S56-N59 PolarHBondContact O-N 3.29Å
57W60Low59.6Low40 Ų4075.5 Ų75.515%0.15239%0.393CS..THydrogen-bonded Turntrans-52.6133.7156-178.1100.5000108.5L18 F22 H55 V62 L63 K262L18-W57 HydrophobicContact CD1-CH2 4.41Å; F22-W57 HydrophobicContact CD2-CH2 4.41Å; F22-W57 AromaticContact CD2-CZ3 3.81Å; F22-W57 HydrophobicContact CD2-CZ3 3.81Å; F22-W57 HydrophobicContact CE2-CE3 4.28Å; F22-W57 AromaticContact CE2-CH2 3.53Å; F22-W57 HydrophobicContact CE2-CH2 3.53Å; F22-W57 AromaticContact CE2-CZ3 3.35Å; F22-W57 HydrophobicContact CE2-CZ3 3.35Å; F22-W57 HydrophobicContact CZ-CH2 4.19Å; F22-W57 HydrophobicContact CZ-CZ3 4.21Å; H55-W57 PolarHBondContact O-N 3.4Å; W57-V62 PolarHBondContact NE1-O 3.04Å; W57-L63 HydrophobicContact CH2-CD1 4.22Å; W57-L63 HydrophobicContact CH2-CD2 4.4Å; W57-L63 HydrophobicContact CZ2-CB 3.7Å; W57-L63 HydrophobicContact CZ2-CD1 3.88Å; W57-L63 HydrophobicContact CZ2-CD2 4.37Å; W57-L63 HydrophobicContact CZ2-CG 4.16Å; W57-K262 HydrophobicContact CH2-CD 3.82Å; W57-K262 HydrophobicContact CZ2-CB 3.68Å; W57-K262 HydrophobicContact CZ2-CD 3.82Å; W57-K262 HydrophobicContact CZ2-CG 4.16Å; W57-K262 HydrophobicContact CZ3-CD 4.26Å
58P65.9Low62.1Low3 Ų368 Ų682%0.01935%0.353CS..THydrogen-bonded Turncis-94.2-5.723.437.8-39.9000116.5F22 Y60 G61F22-P58 HydrophobicContact CD1-CG 3.84Å; F22-P58 HydrophobicContact CE1-CB 4.03Å; F22-P58 HydrophobicContact CE1-CG 3.66Å; F22-P58 HydrophobicContact CG-CG 4.47Å; F22-P58 HydrophobicContact CZ-CB 4.06Å; F22-P58 HydrophobicContact CZ-CG 4.14Å; P58-Y60 VanDerWaalsContact C-N 3.29Å; P58-Y60 PolarHBondContact O-N 2.89Å; P58-Y60 VanDerWaalsContact O-N 3.13Å; P58-G61 PolarHBondContact O-N 3.49Å
59N66Low64.3Low48 Ų4869 Ų6926%0.25734%0.338SS..THydrogen-bonded Turntrans-58.1-35.9-165.1-73.5-26000114.8S56S56-N59 PolarHBondContact O-N 3.29Å
60Y70.3Confident66.4Low125 Ų12568.6 Ų68.649%0.4934%0.335SS..THydrogen-bonded Turntrans-124.540.8-179.9-58.9-79.3000111.7H55 P58 T260H55-Y60 HydrophobicContact CB-CD2 3.72Å; H55-Y60 HydrophobicContact CB-CE2 4.14Å; H55-Y60 AromaticContact CG-CE2 3.96Å; P58-Y60 VanDerWaalsContact C-N 3.29Å; P58-Y60 PolarHBondContact O-N 2.89Å; P58-Y60 VanDerWaalsContact O-N 3.13Å; Y60-T260 PolarHBondContact O-OG1 3.34Å
61G82.6Confident68.6Low1 Ų162.5 Ų62.51%0.0131%0.306CS..EExtended strand (participates in β ladder)trans-147.6170.8-179.400000114.1P58 T260P58-G61 PolarHBondContact O-N 3.49Å; G61-T260 CarbonylContact C-O 3.48Å; G61-T260 WeakPolarHBondContact CA-O 3.45Å; G61-T260 WeakPolarHBondContact CA-OG1 3.46Å
62V87.6Confident70.8Confident0 Ų060.9 Ų60.90%029%0.289CS..EExtended strand (participates in β ladder)trans-110140.3173.9-174.60000108.4W57 E239 Y240 A241 L246 L247 V259 T260 V261 K262W57-V62 PolarHBondContact NE1-O 3.04Å; V62-E239 HydrophobicContact CG1-CB 3.89Å; V62-E239 HydrophobicContact CG1-CG 3.99Å; V62-Y240 CarbonylContact C-O 3.38Å; V62-Y240 WeakPolarHBondContact CA-O 3.35Å; V62-A241 HydrophobicContact CG2-CB 4.37Å; V62-L246 HydrophobicContact CG2-CB 4.18Å; V62-L247 HydrophobicContact CG1-CD2 4.13Å; V62-V259 HydrophobicContact CG2-CG1 4.3Å; V62-T260 PolarHBondContact N-O 2.86Å; V62-V261 HydrophobicContact CB-CG1 4.28Å; V62-V261 HydrophobicContact CB-CG2 4.16Å; V62-V261 WeakPolarHBondContact O-CA 3.08Å; V62-K262 PolarHBondContact O-N 3.32Å
63L88.4Confident73.1Confident1 Ų157.7 Ų57.71%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-104.1110.3168.1167.754.2000107L18 W57 I65 E239 Y240 I264 L300L18-L63 HydrophobicContact CD1-CD1 4.42Å; L18-L63 HydrophobicContact CD1-CD2 4.37Å; W57-L63 HydrophobicContact CH2-CD1 4.22Å; W57-L63 HydrophobicContact CH2-CD2 4.4Å; W57-L63 HydrophobicContact CZ2-CB 3.7Å; W57-L63 HydrophobicContact CZ2-CD1 3.88Å; W57-L63 HydrophobicContact CZ2-CD2 4.37Å; W57-L63 HydrophobicContact CZ2-CG 4.16Å; L63-I65 HydrophobicContact CD1-CD1 4.27Å; L63-I65 HydrophobicContact CD1-CG1 3.8Å; L63-I65 HydrophobicContact CD2-CD1 3.95Å; L63-I65 HydrophobicContact CD2-CG1 4.39Å; L63-I65 HydrophobicContact CG-CD1 3.86Å; L63-I65 HydrophobicContact CG-CG1 3.8Å; L63-E239 CarbonylContact O-C 3.59Å; L63-E239 VanDerWaalsContact O-CA 3.31Å; L63-E239 WeakPolarHBondContact O-CA 3.32Å; L63-Y240 HydrophobicContact CB-CD1 4.15Å; L63-Y240 HydrophobicContact CD2-CD1 4.23Å; L63-Y240 PolarHBondContact N-O 3.2Å; L63-Y240 PolarHBondContact O-N 2.95Å; L63-I264 HydrophobicContact CD1-CD1 3.59Å; L63-I264 HydrophobicContact CD1-CG1 3.97Å; L63-L300 HydrophobicContact CD2-CD2 4.4Å
64R90.5Very high75.1Confident0 Ų059.5 Ų59.50%029%0.291CS..EExtended strand (participates in β ladder)trans-101.9124.4176.2-172.6172.2-178.9122.2-16108.7E66 S80 Y81 E84 I237 E239 V261 K262 L263 I264R64-E66 HydrophobicContact CG-CG 4.31Å; R64-E66 IonicContact CZ-OE1 2.87Å; R64-E66 IonicContact NE-OE1 2.94Å; R64-E66 PolarHBondContact NE-OE1 2.92Å; R64-E66 IonicContact NH2-OE1 2.72Å; R64-E66 PolarHBondContact NH2-OE1 3.43Å; R64-S80 PolarHBondContact NE-OG 3.22Å; R64-S80 PolarHBondContact NH2-O 2.95Å; R64-Y81 VanDerWaalsContact NH1-CE1 3.34Å; R64-E84 IonicContact CZ-OE2 3.65Å; R64-E84 IonicContact NH1-OE2 3.43Å; R64-E84 PolarHBondContact NH1-OE2 3.09Å; R64-E84 IonicContact NH2-OE2 3.72Å; R64-E84 PolarHBondContact NH2-OE2 3.37Å; R64-I237 HydrophobicContact CG-CG2 4.21Å; R64-E239 HydrophobicContact CB-CG 3.98Å; R64-E239 WeakPolarHBondContact CD-OE1 3.47Å; R64-E239 HydrophobicContact CG-CG 3.81Å; R64-E239 IonicContact CZ-OE1 2.68Å; R64-E239 IonicContact NE-OE1 2.73Å; R64-E239 IonicContact NH1-OE1 3.72Å; R64-E239 PolarHBondContact NH1-OE1 2.98Å; R64-V261 HydrophobicContact CB-CG1 4.18Å; R64-K262 PolarHBondContact N-O 3.37Å; R64-L263 HydrophobicContact CB-CD1 4.3Å; R64-L263 HydrophobicContact CG-CD1 4.09Å; R64-L263 CarbonylContact O-C 3.46Å; R64-L263 WeakPolarHBondContact O-CA 3.17Å; R64-I264 PolarHBondContact O-N 2.88Å
65I88.7Confident77.3Confident0 Ų049.7 Ų49.70%025%0.254CS..EExtended strand (participates in β ladder)trans-123.2126-174.1-52164.5000107.5L15 L63 I238 I264 L266 L293 V297L15-I65 HydrophobicContact CD1-CD1 3.61Å; L15-I65 HydrophobicContact CD2-CD1 3.98Å; L15-I65 HydrophobicContact CD2-CG1 4.39Å; L15-I65 HydrophobicContact CD2-CG2 4.47Å; L15-I65 HydrophobicContact CG-CD1 4.43Å; L63-I65 HydrophobicContact CD1-CD1 4.27Å; L63-I65 HydrophobicContact CD1-CG1 3.8Å; L63-I65 HydrophobicContact CD2-CD1 3.95Å; L63-I65 HydrophobicContact CD2-CG1 4.39Å; L63-I65 HydrophobicContact CG-CD1 3.86Å; L63-I65 HydrophobicContact CG-CG1 3.8Å; I65-I238 PolarHBondContact N-O 3.19Å; I65-I238 PolarHBondContact O-N 2.91Å; I65-I264 WeakPolarHBondContact CA-O 3.39Å; I65-L266 HydrophobicContact CG2-CD1 3.68Å; I65-L266 HydrophobicContact CG2-CG 4.23Å; I65-L293 HydrophobicContact CG2-CD2 3.84Å; I65-V297 HydrophobicContact CD1-CG2 3.51Å
66E88.6Confident79.1Confident0 Ų046 Ų460%024%0.241CC..EExtended strand (participates in β ladder)trans-129132.9-175.2-55.7-160167.300111.5R64 I68 Y75 S80 Y236 I237 L263 I264 V265 L266R64-E66 HydrophobicContact CG-CG 4.31Å; R64-E66 IonicContact CZ-OE1 2.87Å; R64-E66 IonicContact NE-OE1 2.94Å; R64-E66 PolarHBondContact NE-OE1 2.92Å; R64-E66 IonicContact NH2-OE1 2.72Å; R64-E66 PolarHBondContact NH2-OE1 3.43Å; E66-I68 HydrophobicContact CB-CD1 4.29Å; E66-I68 HydrophobicContact CB-CG1 4.26Å; E66-Y75 PolarHBondContact OE2-OH 2.92Å; E66-S80 WeakPolarHBondContact OE1-CB 3.43Å; E66-Y236 WeakPolarHBondContact CA-O 3.21Å; E66-I237 HydrophobicContact CB-CG1 4.46Å; E66-I237 HydrophobicContact CG-CB 4.3Å; E66-I237 HydrophobicContact CG-CG1 3.89Å; E66-I237 HydrophobicContact CG-CG2 4.05Å; E66-I237 WeakPolarHBondContact OE1-CD1 3.44Å; E66-I237 WeakPolarHBondContact OE1-CG2 3.44Å; E66-L263 HydrophobicContact CG-CD1 3.88Å; E66-I264 PolarHBondContact N-O 3.28Å; E66-V265 CarbonylContact O-C 3.53Å; E66-V265 WeakPolarHBondContact O-CA 3.39Å; E66-L266 PolarHBondContact O-N 2.99Å
67V84.8Confident80.5Confident10 Ų1045.5 Ų45.56%0.06123%0.234CC..EExtended strand (participates in β ladder)trans-91.5118.7172.1-1760000109.2Y236 L266 P268 F274 Y289 L293V67-Y236 PolarHBondContact N-O 3.48Å; V67-L266 VanDerWaalsContact CA-O 3.31Å; V67-L266 WeakPolarHBondContact CA-O 3.48Å; V67-P268 HydrophobicContact CG1-CG 4.26Å; V67-F274 HydrophobicContact CG2-CZ 4.46Å; V67-Y289 HydrophobicContact CG1-CD2 4.18Å; V67-Y289 HydrophobicContact CG1-CE2 4.41Å; V67-Y289 HydrophobicContact CG1-CG 4.32Å; V67-Y289 HydrophobicContact CG2-CG 4.46Å; V67-L293 HydrophobicContact CG2-CD1 3.79Å; V67-L293 HydrophobicContact CG2-CD2 4.21Å; V67-L293 HydrophobicContact CG2-CG 4.44Å
68I83Confident81.6Confident24 Ų2449.8 Ų49.812%0.12326%0.256CS..  trans-141120.6-177-54.4-177.4000108.5E66 S70 P71 Y75 V265 L266 D267E66-I68 HydrophobicContact CB-CD1 4.29Å; E66-I68 HydrophobicContact CB-CG1 4.26Å; I68-S70 PolarHBondContact O-N 3.45Å; I68-P71 HydrophobicContact CB-CB 4.42Å; I68-P71 HydrophobicContact CG2-CB 4.12Å; I68-Y75 HydrophobicContact CD1-CD1 4.03Å; I68-Y75 HydrophobicContact CD1-CE1 3.45Å; I68-Y75 VanDerWaalsContact CD1-CE1 3.45Å; I68-Y75 HydrophobicContact CD1-CE2 4.29Å; I68-V265 HydrophobicContact CB-CG1 3.79Å; I68-V265 HydrophobicContact CD1-CG1 3.9Å; I68-V265 HydrophobicContact CD1-CG2 4.43Å; I68-V265 HydrophobicContact CG1-CG1 3.94Å; I68-L266 PolarHBondContact N-O 3.37Å; I68-L266 VanDerWaalsContact N-O 3.1Å; I68-D267 VanDerWaalsContact O-CA 3.3Å; I68-D267 WeakPolarHBondContact O-CA 3.35Å; I68-D267 WeakPolarHBondContact O-CB 3.23Å
69R77.8Confident82.5Confident80 Ų8053.2 Ų53.230%0.30227%0.274SS..SBendtrans-65.4129.8171.7-53.9179.2-166.8-114.84.1109.4T232 D267 P268 E284R69-T232 WeakPolarHBondContact CD-O 3.28Å; R69-T232 PolarHBondContact NE-O 3.13Å; R69-D267 WeakPolarHBondContact CA-OD1 3.26Å; R69-P268 HydrophobicContact CG-CG 4.09Å; R69-E284 IonicContact CZ-OE1 3.5Å; R69-E284 IonicContact NH1-OE1 3.92Å; R69-E284 PolarHBondContact NH1-OE1 3.23Å; R69-E284 IonicContact NH1-OE2 2.9Å; R69-E284 IonicContact NH2-OE1 3.85Å; R69-E284 PolarHBondContact NH2-OE1 3.29Å
70S78.1Confident83.4Confident94 Ų9451 Ų5166%0.65726%0.262SS*.SBendtrans44.863.7174.3-65.90000115.3I68 D267I68-S70 PolarHBondContact O-N 3.45Å; S70-D267 PolarHBondContact N-OD1 2.88Å; S70-D267 VanDerWaalsContact N-OD1 3.15Å
71P78.6Confident84.1Confident47 Ų4746.4 Ų46.431%0.30524%0.244SC..  trans-67.8148.9-17428.5-36000114.1I68 V265 D267I68-P71 HydrophobicContact CB-CB 4.42Å; I68-P71 HydrophobicContact CG2-CB 4.12Å; P71-V265 HydrophobicContact CB-CG1 3.82Å; P71-V265 HydrophobicContact CG-CG1 3.94Å; P71-D267 HydrophobicContact CG-CB 4.48Å
72D81.5Confident84.1Confident59 Ų5947.8 Ų47.832%0.31626%0.255SS..  trans-60.9127.5169.5-173.2-31.6000108.9F74 Y75 R93D72-F74 PolarHBondContact O-N 3.23Å; D72-F74 WeakPolarHBondContact OD1-CD2 3.44Å; D72-F74 PolarHBondContact OD1-N 2.86Å; D72-Y75 VanDerWaalsContact O-CB 3.27Å; D72-Y75 WeakPolarHBondContact O-CB 3.27Å; D72-Y75 PolarHBondContact O-N 2.94Å; D72-R93 IonicContact OD2-CZ 3.94Å; D72-R93 IonicContact OD2-NH1 2.69Å; D72-R93 PolarHBondContact OD2-NH1 3.35Å; D72-R93 IonicContact OD2-NH2 3.16Å; D72-R93 PolarHBondContact OD2-NH2 2.93Å
73P80.6Confident83.7Confident126 Ų12649.1 Ų49.182%0.81826%0.261SS*.THydrogen-bonded Turntrans-56-14.8176.4-2836.3000115.4
74F82.3Confident83.1Confident170 Ų17049.4 Ų49.475%0.74626%0.263SS*.THydrogen-bonded Turntrans-102.45.7176.8-60.3-77.6000114.3D72 S76D72-F74 PolarHBondContact O-N 3.23Å; D72-F74 WeakPolarHBondContact OD1-CD2 3.44Å; D72-F74 PolarHBondContact OD1-N 2.86Å; F74-S76 PolarHBondContact O-N 3.11Å
75Y84.2Confident82.1Confident53 Ų5353.8 Ų53.821%0.20828%0.282CS..  trans-56.6119.3-176.6-167.6-103.9000112.5E66 I68 D72 D79 S80 L263 V265E66-Y75 PolarHBondContact OE2-OH 2.92Å; I68-Y75 HydrophobicContact CD1-CD1 4.03Å; I68-Y75 HydrophobicContact CD1-CE1 3.45Å; I68-Y75 VanDerWaalsContact CD1-CE1 3.45Å; I68-Y75 HydrophobicContact CD1-CE2 4.29Å; D72-Y75 VanDerWaalsContact O-CB 3.27Å; D72-Y75 WeakPolarHBondContact O-CB 3.27Å; D72-Y75 PolarHBondContact O-N 2.94Å; Y75-D79 HydrophobicContact CD2-CB 3.72Å; Y75-D79 HydrophobicContact CE2-CB 3.41Å; Y75-D79 VanDerWaalsContact CE2-CB 3.41Å; Y75-D79 HydrophobicContact CG-CB 4.42Å; Y75-S80 WeakPolarHBondContact OH-CA 3.49Å; Y75-S80 PolarHBondContact OH-N 3.13Å; Y75-L263 HydrophobicContact CD1-CD2 4.11Å; Y75-L263 HydrophobicContact CE1-CD2 4.27Å; Y75-V265 HydrophobicContact CD1-CG2 3.73Å; Y75-V265 HydrophobicContact CE1-CG2 4.23Å
76S85.1Confident81Confident35 Ų3559.7 Ų59.725%0.24531%0.305CS..  trans-108.9172.6-171.594.10000113.7F74 E78 D79 S80F74-S76 PolarHBondContact O-N 3.11Å; S76-E78 VanDerWaalsContact CB-OE2 3.3Å; S76-E78 WeakPolarHBondContact CB-OE2 3.39Å; S76-E78 PolarHBondContact O-N 2.89Å; S76-E78 WeakPolarHBondContact OG-CB 3.05Å; S76-E78 PolarHBondContact OG-N 3.07Å; S76-E78 VanDerWaalsContact OG-N 3.13Å; S76-E78 PolarHBondContact OG-OE2 2.56Å; S76-D79 PolarHBondContact N-OD2 3.29Å; S76-D79 PolarHBondContact O-N 2.71Å; S76-D79 PolarHBondContact OG-N 3.37Å; S76-S80 PolarHBondContact O-N 2.86Å; S76-S80 VanDerWaalsContact O-N 3.11Å
77L85.1Confident79.6Confident40 Ų4061.2 Ų61.221%0.20932%0.321CS..Hα-helixtrans-63.2-32.5174.2-177.366.9000111.4S80 Y81 V261 L263L77-S80 WeakPolarHBondContact O-CB 3.34Å; L77-S80 PolarHBondContact O-N 2.94Å; L77-S80 PolarHBondContact O-OG 2.97Å; L77-Y81 HydrophobicContact CD1-CD2 4.33Å; L77-Y81 HydrophobicContact CD1-CE2 3.76Å; L77-Y81 HydrophobicContact CD2-CE2 3.84Å; L77-Y81 HydrophobicContact CG-CD2 3.94Å; L77-Y81 HydrophobicContact CG-CE2 3.51Å; L77-Y81 VanDerWaalsContact O-CD2 3.25Å; L77-Y81 WeakPolarHBondContact O-CD2 3Å; L77-Y81 PolarHBondContact O-N 2.89Å; L77-V261 HydrophobicContact CD1-CB 4.39Å; L77-V261 HydrophobicContact CD1-CG1 3.76Å; L77-V261 HydrophobicContact CD2-CB 3.96Å; L77-V261 HydrophobicContact CD2-CG1 4.25Å; L77-L263 HydrophobicContact CD1-CB 4.28Å
78E84.2Confident78.1Confident130 Ų13064.3 Ų64.361%0.60734%0.34SS*.Hα-helixtrans-65.1-43.4175.1-62.566.1-146.600111.6S76 S80 Y81 A82S76-E78 VanDerWaalsContact CB-OE2 3.3Å; S76-E78 WeakPolarHBondContact CB-OE2 3.39Å; S76-E78 PolarHBondContact O-N 2.89Å; S76-E78 WeakPolarHBondContact OG-CB 3.05Å; S76-E78 PolarHBondContact OG-N 3.07Å; S76-E78 VanDerWaalsContact OG-N 3.13Å; S76-E78 PolarHBondContact OG-OE2 2.56Å; E78-S80 VanDerWaalsContact C-N 3.3Å; E78-S80 PolarHBondContact O-N 3.09Å; E78-Y81 PolarHBondContact O-N 2.99Å; E78-A82 PolarHBondContact O-N 2.9Å
79D84.5Confident76.3Confident75 Ų7571.8 Ų71.840%0.40137%0.374SS..Hα-helixtrans-62.1-39.7174-58.7-41.8000111.3Y75 S76 Y81 A82 K83Y75-D79 HydrophobicContact CD2-CB 3.72Å; Y75-D79 HydrophobicContact CE2-CB 3.41Å; Y75-D79 VanDerWaalsContact CE2-CB 3.41Å; Y75-D79 HydrophobicContact CG-CB 4.42Å; S76-D79 PolarHBondContact N-OD2 3.29Å; S76-D79 PolarHBondContact O-N 2.71Å; S76-D79 PolarHBondContact OG-N 3.37Å; D79-Y81 VanDerWaalsContact C-N 3.35Å; D79-Y81 PolarHBondContact O-N 2.94Å; D79-A82 PolarHBondContact O-N 3.33Å; D79-K83 PolarHBondContact O-N 3.35Å
80S84.4Confident74.5Confident0 Ų071.2 Ų71.20%038%0.38CS..Hα-helixtrans-64.3-36.7177.391.20000112.8R64 E66 Y75 S76 L77 E78 E84R64-S80 PolarHBondContact NE-OG 3.22Å; R64-S80 PolarHBondContact NH2-O 2.95Å; E66-S80 WeakPolarHBondContact OE1-CB 3.43Å; Y75-S80 WeakPolarHBondContact OH-CA 3.49Å; Y75-S80 PolarHBondContact OH-N 3.13Å; S76-S80 PolarHBondContact O-N 2.86Å; S76-S80 VanDerWaalsContact O-N 3.11Å; L77-S80 WeakPolarHBondContact O-CB 3.34Å; L77-S80 PolarHBondContact O-N 2.94Å; L77-S80 PolarHBondContact O-OG 2.97Å; E78-S80 VanDerWaalsContact C-N 3.3Å; E78-S80 PolarHBondContact O-N 3.09Å; S80-E84 PolarHBondContact O-N 2.82Å
81Y85.6Confident72.4Confident29 Ų2973.5 Ų73.511%0.11439%0.385CS..Hα-helixtrans-78-32.5173.5-71.6-47.9000112.4R64 L77 E78 D79 K83 E84 F85 P251 R254R64-Y81 VanDerWaalsContact NH1-CE1 3.34Å; L77-Y81 HydrophobicContact CD1-CD2 4.33Å; L77-Y81 HydrophobicContact CD1-CE2 3.76Å; L77-Y81 HydrophobicContact CD2-CE2 3.84Å; L77-Y81 HydrophobicContact CG-CD2 3.94Å; L77-Y81 HydrophobicContact CG-CE2 3.51Å; L77-Y81 VanDerWaalsContact O-CD2 3.25Å; L77-Y81 WeakPolarHBondContact O-CD2 3Å; L77-Y81 PolarHBondContact O-N 2.89Å; E78-Y81 PolarHBondContact O-N 2.99Å; D79-Y81 VanDerWaalsContact C-N 3.35Å; D79-Y81 PolarHBondContact O-N 2.94Å; Y81-K83 VanDerWaalsContact C-N 3.31Å; Y81-K83 PolarHBondContact O-N 3.14Å; Y81-E84 WeakPolarHBondContact O-CB 3.3Å; Y81-E84 PolarHBondContact O-N 2.93Å; Y81-F85 WeakPolarHBondContact O-CD2 3.33Å; Y81-F85 PolarHBondContact O-N 3.1Å; Y81-P251 HydrophobicContact CD1-CB 3.87Å; Y81-P251 HydrophobicContact CD1-CG 3.39Å; Y81-P251 HydrophobicContact CD2-CB 3.94Å; Y81-P251 HydrophobicContact CD2-CG 4.38Å; Y81-P251 HydrophobicContact CE1-CB 3.78Å; Y81-P251 HydrophobicContact CE1-CG 3.38Å; Y81-P251 HydrophobicContact CE2-CB 3.82Å; Y81-P251 HydrophobicContact CE2-CG 4.36Å; Y81-P251 HydrophobicContact CG-CB 3.97Å; Y81-P251 HydrophobicContact CG-CG 3.93Å; Y81-R254 PolarHBondContact OH-NH1 2.86Å
82A82.2Confident70.3Confident30 Ų3077.4 Ų77.425%0.24839%0.394CS..Hα-helixtrans-59.5-45.4173.100000110.6E78 D79 E84 F85 Y86E78-A82 PolarHBondContact O-N 2.9Å; D79-A82 PolarHBondContact O-N 3.33Å; A82-E84 VanDerWaalsContact C-N 3.29Å; A82-E84 PolarHBondContact O-N 2.88Å; A82-F85 PolarHBondContact O-N 3.03Å; A82-F85 VanDerWaalsContact O-N 3.14Å; A82-Y86 WeakPolarHBondContact O-CD2 3.26Å; A82-Y86 PolarHBondContact O-N 2.85Å
83K78.8Confident68.1Low29 Ų2983.6 Ų83.613%0.12641%0.413CS..Hα-helixtrans-57.6-36.4176-158.1176.5-166.4-179.50113.6D79 Y81 G87 T88 S235D79-K83 PolarHBondContact O-N 3.35Å; Y81-K83 VanDerWaalsContact C-N 3.31Å; Y81-K83 PolarHBondContact O-N 3.14Å; K83-G87 WeakPolarHBondContact O-CA 3.43Å; K83-G87 PolarHBondContact O-N 2.04Å; K83-G87 VanDerWaalsContact O-N 3.11Å; K83-T88 HydrophobicContact CG-CG2 4.4Å; K83-S235 WeakPolarHBondContact CE-OG 3.43Å; K83-S235 PolarHBondContact NZ-OG 3.49Å
84E76.1Confident65.8Low7 Ų786.2 Ų86.23%0.03341%0.412CS..Hα-helixtrans-64.4-38176.4-179.7-177.4139.900113R64 S80 Y81 A82 K119 V313R64-E84 IonicContact CZ-OE2 3.65Å; R64-E84 IonicContact NH1-OE2 3.43Å; R64-E84 PolarHBondContact NH1-OE2 3.09Å; R64-E84 IonicContact NH2-OE2 3.72Å; R64-E84 PolarHBondContact NH2-OE2 3.37Å; S80-E84 PolarHBondContact O-N 2.82Å; Y81-E84 WeakPolarHBondContact O-CB 3.3Å; Y81-E84 PolarHBondContact O-N 2.93Å; A82-E84 VanDerWaalsContact C-N 3.29Å; A82-E84 PolarHBondContact O-N 2.88Å; E84-K119 WeakPolarHBondContact O-CE 3.36Å; E84-K119 PolarHBondContact O-NZ 3.2Å; E84-V313 HydrophobicContact CG-CG1 3.81Å
85F70.5Confident63.6Low91 Ų9186.4 Ų86.440%0.39942%0.415SS..Hα-helixtrans-94.5-34-175.2-69.3-65.1000114.7Y81 A82 P251Y81-F85 WeakPolarHBondContact O-CD2 3.33Å; Y81-F85 PolarHBondContact O-N 3.1Å; A82-F85 PolarHBondContact O-N 3.03Å; A82-F85 VanDerWaalsContact O-N 3.14Å; F85-P251 HydrophobicContact CE2-CG 4.14Å; F85-P251 HydrophobicContact CZ-CG 4.28Å
86Y65.2Low61.3Low124 Ų12488.8 Ų88.849%0.48645%0.446SS..Hα-helixtrans-108-6.3-173.5-61.9-78.6000113.7A82 Y92A82-Y86 WeakPolarHBondContact O-CD2 3.26Å; A82-Y86 PolarHBondContact O-N 2.85Å; Y86-Y92 HydrophobicContact CD1-CE2 4.08Å; Y86-Y92 AromaticContact CD2-CE2 3.71Å; Y86-Y92 HydrophobicContact CD2-CE2 3.71Å; Y86-Y92 HydrophobicContact CE1-CE2 4.34Å; Y86-Y92 WeakPolarHBondContact CE1-OH 3.48Å; Y86-Y92 HydrophobicContact CE2-CE2 4.01Å; Y86-Y92 AromaticContact CG-CE2 3.76Å; Y86-Y92 HydrophobicContact CG-CE2 3.76Å; Y86-Y92 PolarHBondContact OH-OH 3.11Å
87G59.6Low58.9Low33 Ų3396.2 Ų96.234%0.3447%0.474SS..  trans76.2-168.4-175.200000112.3K83K83-G87 WeakPolarHBondContact O-CA 3.43Å; K83-G87 PolarHBondContact O-N 2.04Å; K83-G87 VanDerWaalsContact O-N 3.11Å
88T53.6Low56.4Low75 Ų75101.5 Ų101.546%0.4650%0.502SS..SBendtrans-85.6-11.1-176.670000114.5K83 N233K83-T88 HydrophobicContact CG-CG2 4.4Å; T88-N233 HydrophobicContact CG2-CB 4.1Å; T88-N233 WeakPolarHBondContact CG2-O 3.5Å
89E45.1Very low53.9Low180 Ų180104.7 Ų104.784%0.84152%0.517SS*.  trans-110.560.1-175.2-65.7-167.8122.400113.2
90T39.3Very low51.5Low68 Ų68110.2 Ų110.242%0.41754%0.538SS..  trans-139.2114.9163.547.70000111.8Y92T90-Y92 VanDerWaalsContact C-N 3.31Å; T90-Y92 PolarHBondContact O-N 2.88Å
91D34.3Very low49Very low142 Ų142115.5 Ų115.576%0.75957%0.57SS**  trans-74.782.4171.1-176.75.8000110.5R93D91-R93 PolarHBondContact O-N 2.87Å; D91-R93 VanDerWaalsContact O-N 3.14Å; D91-R93 WeakPolarHBondContact OD1-CB 3.39Å; D91-R93 PolarHBondContact OD1-N 3.49Å
92Y35.1Very low46.4Very low130 Ų130120.2 Ų120.251%0.5160%0.604SS.*THydrogen-bonded Turntrans-71.70.5-177.8-111.9-75.3000114.3Y86 T90 F94Y86-Y92 HydrophobicContact CD1-CE2 4.08Å; Y86-Y92 AromaticContact CD2-CE2 3.71Å; Y86-Y92 HydrophobicContact CD2-CE2 3.71Å; Y86-Y92 HydrophobicContact CE1-CE2 4.34Å; Y86-Y92 WeakPolarHBondContact CE1-OH 3.48Å; Y86-Y92 HydrophobicContact CE2-CE2 4.01Å; Y86-Y92 AromaticContact CG-CE2 3.76Å; Y86-Y92 HydrophobicContact CG-CE2 3.76Å; Y86-Y92 PolarHBondContact OH-OH 3.11Å; T90-Y92 VanDerWaalsContact C-N 3.31Å; T90-Y92 PolarHBondContact O-N 2.88Å; Y92-F94 VanDerWaalsContact C-N 3.35Å; Y92-F94 PolarHBondContact O-N 3.39Å
93R35Very low44.2Very low189 Ų189126.8 Ų126.871%0.71363%0.63SS**THydrogen-bonded Turntrans-84.71.7-164.1-147.2164.5-168.11536.3115D72 D91D72-R93 IonicContact OD2-CZ 3.94Å; D72-R93 IonicContact OD2-NH1 2.69Å; D72-R93 PolarHBondContact OD2-NH1 3.35Å; D72-R93 IonicContact OD2-NH2 3.16Å; D72-R93 PolarHBondContact OD2-NH2 2.93Å; D91-R93 PolarHBondContact O-N 2.87Å; D91-R93 VanDerWaalsContact O-N 3.14Å; D91-R93 WeakPolarHBondContact OD1-CB 3.39Å; D91-R93 PolarHBondContact OD1-N 3.49Å
94F32.7Very low41.9Very low180 Ų180131 Ų13179%0.78966%0.658SS**SBendtrans-101.7-36.1-170.9-151.8-102.6000117Y92Y92-F94 VanDerWaalsContact C-N 3.35Å; Y92-F94 PolarHBondContact O-N 3.39Å
95E34.4Very low39.7Very low174 Ų174137.7 Ų137.781%0.81369%0.694SS**G310 helixtrans-87.6-26.4-166.9-62.9-161.6131.300115.5K97E95-K97 PolarHBondContact O-N 2.9Å
96A35.9Very low38Very low103 Ų103139.9 Ų139.985%0.85171%0.706SS**G310 helixtrans-697.7-171.800000116.3
97K34.5Very low36.3Very low192 Ų192142.8 Ų142.884%0.83573%0.729SS**G310 helixtrans-107.1-10.8-174.6-98.7177.7177.61720116.2E95E95-K97 PolarHBondContact O-N 2.9Å
98N33.2Very low35Very low150 Ų150144.5 Ų144.580%0.80275%0.746SS**  trans-102.2-9.1-174.4-81.4-18000115.4K100N98-K100 VanDerWaalsContact C-N 3.27Å; N98-K100 PolarHBondContact O-N 3.5Å
99E32.5Very low34.1Very low197 Ų197147.2 Ų147.292%0.92175%0.752SS**  trans-80.771.2-176.5-161.3162.2-154.100113.1
100K32.6Very low33.6Very low191 Ų191148.1 Ų148.183%0.8376%0.755SS**  trans-122.192.2164.5-81.2-173.8176.6178.40110.7N98N98-K100 VanDerWaalsContact C-N 3.27Å; N98-K100 PolarHBondContact O-N 3.5Å
101T32.9Very low33.3Very low112 Ų112152.4 Ų152.469%0.68777%0.774SS**  trans172.5120.7133.6-73.20000109Q103T101-Q103 HydrophobicContact CG2-CG 4.44Å
102P31.7Very low33Very low128 Ų128149.9 Ų149.983%0.83177%0.767SS**  trans-86.1120178.532.4-31.7000111.6
103Q35Very low32.8Very low168 Ų168154.5 Ų154.579%0.78579%0.785SS**  trans-136.5114.1162.6-70.6-163.413.500112.4T101T101-Q103 HydrophobicContact CG2-CG 4.44Å
104T30.1Very low32.7Very low116 Ų116152.4 Ų152.471%0.71279%0.787SS**  trans16.3131.6142.847.50000120.5
105N30.4Very low32.8Very low149 Ų149147.7 Ų147.780%0.79777%0.774SS**  trans89.357.9149.2-51.5-16.8000120.3
106E34.3Very low32.7Very low136 Ų136149 Ų14964%0.63678%0.778SS**  trans-144.366.2143.7-87.6-131.212100112.1G108 K109E106-G108 PolarHBondContact O-N 2.83Å; E106-K109 WeakPolarHBondContact OE1-CE 3.41Å; E106-K109 IonicContact OE1-NZ 3.76Å; E106-K109 PolarHBondContact OE1-NZ 2.86Å; E106-K109 WeakPolarHBondContact OE2-CD 3.33Å; E106-K109 IonicContact OE2-NZ 2.77Å; E106-K109 PolarHBondContact OE2-NZ 3.47Å
107L29.6Very low32.7Very low186 Ų186148.7 Ų148.797%0.97477%0.765SS**THydrogen-bonded Turntrans-74.372.1171.7-172.571.6000110.7
108G33.4Very low32.9Very low68 Ų68142.8 Ų142.870%0.70175%0.748SS**THydrogen-bonded Turntrans-172.7-13.1-179.100000120E106E106-G108 PolarHBondContact O-N 2.83Å
109K34.6Very low33.4Very low133 Ų133138.9 Ų138.958%0.57872%0.724SS**  trans-114.6-11.3-169.8-78.9-177.4-168.4139.40118.1E106 I111 S112E106-K109 WeakPolarHBondContact OE1-CE 3.41Å; E106-K109 IonicContact OE1-NZ 3.76Å; E106-K109 PolarHBondContact OE1-NZ 2.86Å; E106-K109 WeakPolarHBondContact OE2-CD 3.33Å; E106-K109 IonicContact OE2-NZ 2.77Å; E106-K109 PolarHBondContact OE2-NZ 3.47Å; K109-I111 PolarHBondContact O-N 2.84Å; K109-S112 PolarHBondContact O-OG 3.44Å
110H34Very low33.7Very low198 Ų198135.6 Ų135.692%0.91770%0.704SS**  trans-81.724.8-169.8-106.5-83.7000116.5
111I33.4Very low33.8Very low158 Ų158128.5 Ų128.581%0.8168%0.678SS**  trans-114.441.4-177.6-38.5-178.9000111.1K109K109-I111 PolarHBondContact O-N 2.84Å
112S28.6Very low34Very low89 Ų89129.4 Ų129.462%0.62268%0.683SS**  trans-140.418.2-172.760.70000116.3K109K109-S112 PolarHBondContact O-OG 3.44Å
113Y31Very low34Very low227 Ų227126.3 Ų126.389%0.8967%0.668SS**  trans-132.975.1163.7-89.1-77000111.3
114I32.9Very low34.1Very low145 Ų145122 Ų12274%0.74465%0.646SS**  trans-101.5105.2161.5-59176.6000106.3
115P34.4Very low34.3Very low81 Ų81123.1 Ų123.153%0.52664%0.641SS.*  trans-63.1140.1171.127.9-33.5000109.1T117P115-T117 PolarHBondContact O-N 2.81Å
116K32.7Very low34.6Very low203 Ų203118.2 Ų118.288%0.88362%0.621SS**SBendtrans-70.13.7-174.4-73.6-178173.2179.80114.4S118K116-S118 PolarHBondContact O-N 2.84Å
117T35.9Very low35Very low96 Ų96118.3 Ų118.359%0.58962%0.622SS**  trans-95.832.9-168.450.60000113.9P115 K119P115-T117 PolarHBondContact O-N 2.81Å; T117-K119 PolarHBondContact O-N 2.83Å; T117-K119 VanDerWaalsContact O-N 3.12Å
118S37.6Very low35.5Very low68 Ų68114 Ų11448%0.47660%0.6SS.*  trans-70.7112.517267.40000109.7K116 Y120 S121K116-S118 PolarHBondContact O-N 2.84Å; S118-Y120 PolarHBondContact O-N 3.07Å; S118-S121 PolarHBondContact O-N 2.99Å; S118-S121 PolarHBondContact O-OG 2.87Å
119K43.6Very low35.8Very low68 Ų68116.2 Ų116.230%0.29659%0.594SS.*THydrogen-bonded Turntrans-59.13.8179.7-66.4-179.1168.9172.80115.3E84 T117 Y124E84-K119 WeakPolarHBondContact O-CE 3.36Å; E84-K119 PolarHBondContact O-NZ 3.2Å; T117-K119 PolarHBondContact O-N 2.83Å; T117-K119 VanDerWaalsContact O-N 3.12Å; K119-Y124 HydrophobicContact CB-CD1 4.19Å; K119-Y124 HydrophobicContact CB-CE1 4.15Å; K119-Y124 HydrophobicContact CD-CE1 4.41Å; K119-Y124 HydrophobicContact CG-CD1 4.23Å; K119-Y124 HydrophobicContact CG-CE1 3.77Å
120Y40Very low36.2Very low128 Ų128113.9 Ų113.950%0.50259%0.587SS.*THydrogen-bonded Turntrans-106.44.9177.9-59.3-90.8000112.6S118S118-Y120 PolarHBondContact O-N 3.07Å
121S33.4Very low36.5Very low41 Ų41107.5 Ų107.529%0.28756%0.563SS.*SBendtrans-80.7142.2173.1790000111.5S118 A123 Y124 F125S118-S121 PolarHBondContact O-N 2.99Å; S118-S121 PolarHBondContact O-OG 2.87Å; S121-A123 PolarHBondContact O-N 3.17Å; S121-Y124 PolarHBondContact O-N 3.34Å; S121-Y124 PolarHBondContact OG-N 3.15Å; S121-F125 PolarHBondContact O-N 2.98Å
122V36.8Very low37.1Very low131 Ų131105.7 Ų105.779%0.79455%0.551SS**Hα-helixtrans-63-27.1178.4179.40000111.8F125 A126V122-F125 PolarHBondContact O-N 3.08Å; V122-A126 PolarHBondContact O-N 2.9Å
123A33Very low37.8Very low63 Ų63106.6 Ų106.652%0.52155%0.546SS..Hα-helixtrans-61-49.2174.200000111.7S121 F125 A126 E127S121-A123 PolarHBondContact O-N 3.17Å; A123-F125 VanDerWaalsContact C-N 3.26Å; A123-F125 PolarHBondContact O-N 3.36Å; A123-A126 PolarHBondContact O-N 3.29Å; A123-A126 VanDerWaalsContact O-N 3.08Å; A123-E127 VanDerWaalsContact O-CB 3.31Å; A123-E127 WeakPolarHBondContact O-CB 3.31Å; A123-E127 PolarHBondContact O-N 2.99Å
124Y36.4Very low38.5Very low78 Ų78100.5 Ų100.531%0.30653%0.525SS..Hα-helixtrans-61.8-33.9179.9-165.3-107.3000112.8K119 S121 A126 E127 N128K119-Y124 HydrophobicContact CB-CD1 4.19Å; K119-Y124 HydrophobicContact CB-CE1 4.15Å; K119-Y124 HydrophobicContact CD-CE1 4.41Å; K119-Y124 HydrophobicContact CG-CD1 4.23Å; K119-Y124 HydrophobicContact CG-CE1 3.77Å; S121-Y124 PolarHBondContact O-N 3.34Å; S121-Y124 PolarHBondContact OG-N 3.15Å; Y124-A126 VanDerWaalsContact C-N 3.34Å; Y124-E127 PolarHBondContact O-N 3.14Å; Y124-N128 VanDerWaalsContact CZ-ND2 3.35Å; Y124-N128 PolarHBondContact O-N 2.79Å; Y124-N128 VanDerWaalsContact O-N 3.13Å; Y124-N128 PolarHBondContact OH-ND2 3.39Å
125F34.6Very low39.2Very low139 Ų13998.7 Ų98.761%0.6152%0.517SS*.Hα-helixtrans-72.5-26177.5-150.8-87.2000113S121 V122 A123 I129S121-F125 PolarHBondContact O-N 2.98Å; V122-F125 PolarHBondContact O-N 3.08Å; A123-F125 VanDerWaalsContact C-N 3.26Å; A123-F125 PolarHBondContact O-N 3.36Å; F125-I129 HydrophobicContact CD1-CD1 3.75Å; F125-I129 HydrophobicContact CE1-CD1 3.47Å; F125-I129 VanDerWaalsContact CE1-CD1 3.47Å; F125-I129 HydrophobicContact CZ-CD1 4.12Å; F125-I129 WeakPolarHBondContact O-CD1 3.43Å; F125-I129 WeakPolarHBondContact O-CG1 3.38Å
126A37.3Very low39.9Very low47 Ų4798 Ų9839%0.38851%0.506SS..Hα-helixtrans-79.6-46.816900000111.1V122 A123 Y124 N128 I129 I130V122-A126 PolarHBondContact O-N 2.9Å; A123-A126 PolarHBondContact O-N 3.29Å; A123-A126 VanDerWaalsContact O-N 3.08Å; Y124-A126 VanDerWaalsContact C-N 3.34Å; A126-N128 VanDerWaalsContact C-N 3.29Å; A126-N128 PolarHBondContact O-N 2.85Å; A126-I129 PolarHBondContact O-N 2.84Å; A126-I130 HydrophobicContact CB-CD1 4.35Å; A126-I130 WeakPolarHBondContact O-CD1 3.06Å; A126-I130 VanDerWaalsContact O-CG1 3.24Å; A126-I130 WeakPolarHBondContact O-CG1 3.12Å; A126-I130 PolarHBondContact O-N 3.14Å
127E41.2Very low40.5Very low137 Ų13791 Ų9164%0.6447%0.474SS*.Hα-helixtrans-66.5-25.1-171.5-162.1162.1-149.900113.5A123 Y124 P131A123-E127 VanDerWaalsContact O-CB 3.31Å; A123-E127 WeakPolarHBondContact O-CB 3.31Å; A123-E127 PolarHBondContact O-N 2.99Å; Y124-E127 PolarHBondContact O-N 3.14Å; E127-P131 WeakPolarHBondContact O-CD 3.4Å; E127-P131 WeakPolarHBondContact O-CG 3.36Å
128N40.2Very low40.9Very low97 Ų9790.2 Ų90.252%0.51947%0.466SS..THydrogen-bonded Turntrans-95.8-15177.3-8225.7000115.8Y124 A126Y124-N128 VanDerWaalsContact CZ-ND2 3.35Å; Y124-N128 PolarHBondContact O-N 2.79Å; Y124-N128 VanDerWaalsContact O-N 3.13Å; Y124-N128 PolarHBondContact OH-ND2 3.39Å; A126-N128 VanDerWaalsContact C-N 3.29Å; A126-N128 PolarHBondContact O-N 2.85Å
129I40.8Very low41.3Very low113 Ų11390.3 Ų90.358%0.57947%0.467SS*.THydrogen-bonded Turntrans-93.4-21.7178.9-66179000111.4F125 A126F125-I129 HydrophobicContact CD1-CD1 3.75Å; F125-I129 HydrophobicContact CE1-CD1 3.47Å; F125-I129 VanDerWaalsContact CE1-CD1 3.47Å; F125-I129 HydrophobicContact CZ-CD1 4.12Å; F125-I129 WeakPolarHBondContact O-CD1 3.43Å; F125-I129 WeakPolarHBondContact O-CG1 3.38Å; A126-I129 PolarHBondContact O-N 2.84Å
130I42.3Very low41.3Very low85 Ų8590.2 Ų90.244%0.43647%0.469SS..SBendtrans-81.8-37.1-175.1-68.3171.5000115.2A126 E132 H133 Q134A126-I130 HydrophobicContact CB-CD1 4.35Å; A126-I130 WeakPolarHBondContact O-CD1 3.06Å; A126-I130 VanDerWaalsContact O-CG1 3.24Å; A126-I130 WeakPolarHBondContact O-CG1 3.12Å; A126-I130 PolarHBondContact O-N 3.14Å; I130-E132 PolarHBondContact O-N 3Å; I130-H133 PolarHBondContact O-N 3.02Å; I130-Q134 HydrophobicContact CG2-CB 4.22Å; I130-Q134 VanDerWaalsContact O-CB 3.32Å; I130-Q134 WeakPolarHBondContact O-CB 3.27Å; I130-Q134 PolarHBondContact O-N 3.25Å
131P41Very low41.5Very low64 Ų6489.7 Ų89.742%0.41647%0.474SS..Hα-helixtrans-60.5-54.4-164.4-26.634.8000115.7E127 H133 Q134 D135E127-P131 WeakPolarHBondContact O-CD 3.4Å; E127-P131 WeakPolarHBondContact O-CG 3.36Å; P131-H133 VanDerWaalsContact C-N 3.29Å; P131-H133 PolarHBondContact O-N 3.17Å; P131-Q134 WeakPolarHBondContact O-CB 3.34Å; P131-Q134 PolarHBondContact O-N 3.16Å; P131-D135 PolarHBondContact O-N 3.47Å
132E45Very low42Very low119 Ų11989.8 Ų89.856%0.55648%0.475SS*.Hα-helixtrans-64.2-37-175.5-167.7173.7-152.200111.4I130 F136 S225I130-E132 PolarHBondContact O-N 3Å; E132-F136 VanDerWaalsContact O-CB 3.3Å; E132-F136 WeakPolarHBondContact O-CB 3.42Å; E132-F136 PolarHBondContact O-N 2.97Å; E132-F136 VanDerWaalsContact O-N 3.13Å; E132-S225 PolarHBondContact OE1-OG 3.17Å
133H44.3Very low42.2Very low108 Ų10888 Ų8850%0.546%0.461SS..Hα-helixtrans-67.8-41173-164.7-119.5000111.4I130 P131 F136 W137I130-H133 PolarHBondContact O-N 3.02Å; P131-H133 VanDerWaalsContact C-N 3.29Å; P131-H133 PolarHBondContact O-N 3.17Å; H133-F136 PolarHBondContact O-N 2.92Å; H133-W137 AromaticContact CD2-CD1 3.71Å; H133-W137 AromaticContact CD2-NE1 3.55Å; H133-W137 AromaticContact CE1-CD1 3.45Å; H133-W137 VanDerWaalsContact CE1-CD1 3.45Å; H133-W137 AromaticContact CE1-NE1 3.14Å; H133-W137 PolarHBondContact CE1-NE1 3.24Å; H133-W137 AromaticContact CG-CD1 3.73Å; H133-W137 AromaticContact CG-NE1 3.99Å; H133-W137 AromaticContact ND1-CD1 3.55Å; H133-W137 AromaticContact ND1-NE1 3.75Å; H133-W137 AromaticContact NE2-CD1 3.53Å; H133-W137 AromaticContact NE2-NE1 2.96Å; H133-W137 PolarHBondContact NE2-NE1 3.15Å; H133-W137 WeakPolarHBondContact O-CB 3.34Å; H133-W137 PolarHBondContact O-N 3.18Å
134Q44.1Very low42.5Very low100 Ų10089.2 Ų89.247%0.46746%0.463SS..Hα-helixtrans-64.3-45.4-178.5-159.578.232.900111.8I130 P131 W137 N138I130-Q134 HydrophobicContact CG2-CB 4.22Å; I130-Q134 VanDerWaalsContact O-CB 3.32Å; I130-Q134 WeakPolarHBondContact O-CB 3.27Å; I130-Q134 PolarHBondContact O-N 3.25Å; P131-Q134 WeakPolarHBondContact O-CB 3.34Å; P131-Q134 PolarHBondContact O-N 3.16Å; Q134-W137 PolarHBondContact O-N 3.19Å; Q134-N138 WeakPolarHBondContact O-CB 3.4Å; Q134-N138 PolarHBondContact O-N 3.49Å; Q134-N138 PolarHBondContact O-ND2 3.43Å; Q134-N138 VanDerWaalsContact O-ND2 3.13Å
135D48.6Very low42.5Very low106 Ų10693 Ų9357%0.56748%0.482SS*.Hα-helixtrans-75.9-29.6-179.7-74.2-24.8000112.9P131 N138 S139P131-D135 PolarHBondContact O-N 3.47Å; D135-N138 PolarHBondContact OD1-ND2 2.87Å; D135-S139 WeakPolarHBondContact O-CB 3.47Å; D135-S139 PolarHBondContact O-N 2.93Å; D135-S139 PolarHBondContact O-OG 3Å
136F48.1Very low42.7Very low68 Ų6891.5 Ų91.530%0.29848%0.479SS..Hα-helixtrans-62.5-48.3165.3178.3-101.8000111.7E132 H133 N138 S139 L140 F405E132-F136 VanDerWaalsContact O-CB 3.3Å; E132-F136 WeakPolarHBondContact O-CB 3.42Å; E132-F136 PolarHBondContact O-N 2.97Å; E132-F136 VanDerWaalsContact O-N 3.13Å; H133-F136 PolarHBondContact O-N 2.92Å; F136-N138 PolarHBondContact O-N 3.45Å; F136-S139 CarbonylContact O-C 3.5Å; F136-S139 WeakPolarHBondContact O-CA 3.3Å; F136-S139 WeakPolarHBondContact O-CB 3.18Å; F136-S139 PolarHBondContact O-N 3.39Å; F136-S139 VanDerWaalsContact O-N 3.11Å; F136-L140 HydrophobicContact CE1-CD2 4.05Å; F136-L140 HydrophobicContact CZ-CD1 4.05Å; F136-L140 HydrophobicContact CZ-CD2 4.34Å; F136-L140 WeakPolarHBondContact O-CB 3.42Å; F136-L140 PolarHBondContact O-N 3.1Å; F136-F405 HydrophobicContact CE1-CE2 4.18Å; F136-F405 HydrophobicContact CE2-CE2 4.46Å; F136-F405 HydrophobicContact CE2-CZ 4.12Å; F136-F405 HydrophobicContact CZ-CD2 4.46Å; F136-F405 AromaticContact CZ-CE2 3.58Å; F136-F405 HydrophobicContact CZ-CE2 3.58Å; F136-F405 AromaticContact CZ-CZ 3.66Å; F136-F405 HydrophobicContact CZ-CZ 3.66Å
137W45.5Very low42.8Very low56 Ų5691.1 Ų91.121%0.21248%0.475CS..Hα-helixtrans-65.7-35.4177-84.5102.7000112.9H133 Q134 S139 L140 L141 I384 V388H133-W137 AromaticContact CD2-CD1 3.71Å; H133-W137 AromaticContact CD2-NE1 3.55Å; H133-W137 AromaticContact CE1-CD1 3.45Å; H133-W137 VanDerWaalsContact CE1-CD1 3.45Å; H133-W137 AromaticContact CE1-NE1 3.14Å; H133-W137 PolarHBondContact CE1-NE1 3.24Å; H133-W137 AromaticContact CG-CD1 3.73Å; H133-W137 AromaticContact CG-NE1 3.99Å; H133-W137 AromaticContact ND1-CD1 3.55Å; H133-W137 AromaticContact ND1-NE1 3.75Å; H133-W137 AromaticContact NE2-CD1 3.53Å; H133-W137 AromaticContact NE2-NE1 2.96Å; H133-W137 PolarHBondContact NE2-NE1 3.15Å; H133-W137 WeakPolarHBondContact O-CB 3.34Å; H133-W137 PolarHBondContact O-N 3.18Å; Q134-W137 PolarHBondContact O-N 3.19Å; W137-S139 VanDerWaalsContact C-N 3.3Å; W137-S139 PolarHBondContact O-N 3.35Å; W137-L140 HydrophobicContact CE3-CD2 4.08Å; W137-L140 HydrophobicContact CH2-CD2 4.05Å; W137-L140 HydrophobicContact CZ3-CD2 3.77Å; W137-L140 PolarHBondContact O-N 3.35Å; W137-L141 HydrophobicContact CE3-CD1 4.43Å; W137-L141 HydrophobicContact CE3-CG 4.39Å; W137-L141 WeakPolarHBondContact O-CB 3.36Å; W137-L141 WeakPolarHBondContact O-CD1 3.21Å; W137-L141 VanDerWaalsContact O-CG 3.3Å; W137-L141 WeakPolarHBondContact O-CG 3.45Å; W137-L141 PolarHBondContact O-N 3.25Å; W137-I384 HydrophobicContact CH2-CG2 4.32Å; W137-I384 HydrophobicContact CZ3-CG2 4.45Å; W137-V388 HydrophobicContact CH2-CG2 3.53Å; W137-V388 HydrophobicContact CZ2-CG2 3.6Å
138N45.1Very low42.6Very low79 Ų7991.6 Ų91.642%0.42247%0.472SS..Hα-helixtrans-62.3-39.2170.9-69.9-31.3000111.1Q134 D135 F136 S142Q134-N138 WeakPolarHBondContact O-CB 3.4Å; Q134-N138 PolarHBondContact O-N 3.49Å; Q134-N138 PolarHBondContact O-ND2 3.43Å; Q134-N138 VanDerWaalsContact O-ND2 3.13Å; D135-N138 PolarHBondContact OD1-ND2 2.87Å; F136-N138 PolarHBondContact O-N 3.45Å; N138-S142 VanDerWaalsContact O-CB 3.24Å; N138-S142 WeakPolarHBondContact O-CB 3.5Å; N138-S142 PolarHBondContact O-N 3.05Å; N138-S142 PolarHBondContact O-OG 3Å
139S45.5Very low42.5Very low69 Ų6988.6 Ų88.648%0.48347%0.465SS..Hα-helixtrans-68-40.8174.1-57.50000112D135 F136 W137 S142 L143D135-S139 WeakPolarHBondContact O-CB 3.47Å; D135-S139 PolarHBondContact O-N 2.93Å; D135-S139 PolarHBondContact O-OG 3Å; F136-S139 CarbonylContact O-C 3.5Å; F136-S139 WeakPolarHBondContact O-CA 3.3Å; F136-S139 WeakPolarHBondContact O-CB 3.18Å; F136-S139 PolarHBondContact O-N 3.39Å; F136-S139 VanDerWaalsContact O-N 3.11Å; W137-S139 VanDerWaalsContact C-N 3.3Å; W137-S139 PolarHBondContact O-N 3.35Å; S139-S142 WeakPolarHBondContact CA-OG 3.31Å; S139-S142 PolarHBondContact O-N 3.35Å; S139-S142 PolarHBondContact O-OG 3.41Å; S139-S142 VanDerWaalsContact O-OG 3.09Å; S139-L143 PolarHBondContact O-N 3.49Å
140L43.3Very low42.3Very low66 Ų6686.5 Ų86.535%0.34646%0.46SS..Hα-helixtrans-73.8-31.2-179.6-155.375.7000113F136 W137 L143 P144F136-L140 HydrophobicContact CE1-CD2 4.05Å; F136-L140 HydrophobicContact CZ-CD1 4.05Å; F136-L140 HydrophobicContact CZ-CD2 4.34Å; F136-L140 WeakPolarHBondContact O-CB 3.42Å; F136-L140 PolarHBondContact O-N 3.1Å; W137-L140 HydrophobicContact CE3-CD2 4.08Å; W137-L140 HydrophobicContact CH2-CD2 4.05Å; W137-L140 HydrophobicContact CZ3-CD2 3.77Å; W137-L140 PolarHBondContact O-N 3.35Å; L140-L143 HydrophobicContact CD1-CD1 4.1Å; L140-P144 WeakPolarHBondContact O-CD 3.36Å
141L44.3Very low42.2Very low118 Ų11886 Ų8662%0.61846%0.457SS*.Hα-helixtrans-82.7-24.3173.5-72.8162.5000112.8W137W137-L141 HydrophobicContact CE3-CD1 4.43Å; W137-L141 HydrophobicContact CE3-CG 4.39Å; W137-L141 WeakPolarHBondContact O-CB 3.36Å; W137-L141 WeakPolarHBondContact O-CD1 3.21Å; W137-L141 VanDerWaalsContact O-CG 3.3Å; W137-L141 WeakPolarHBondContact O-CG 3.45Å; W137-L141 PolarHBondContact O-N 3.25Å
142S43.8Very low42.2Very low43 Ų4388.6 Ų88.630%0.30146%0.462SS..Hα-helixtrans-83.4-19.8169.160.50000113.1N138 S139 F145 I146N138-S142 VanDerWaalsContact O-CB 3.24Å; N138-S142 WeakPolarHBondContact O-CB 3.5Å; N138-S142 PolarHBondContact O-N 3.05Å; N138-S142 PolarHBondContact O-OG 3Å; S139-S142 WeakPolarHBondContact CA-OG 3.31Å; S139-S142 PolarHBondContact O-N 3.35Å; S139-S142 PolarHBondContact O-OG 3.41Å; S139-S142 VanDerWaalsContact O-OG 3.09Å; S142-F145 CarbonylContact O-C 3.57Å; S142-F145 WeakPolarHBondContact O-CA 3.38Å; S142-F145 WeakPolarHBondContact O-CB 3.33Å; S142-F145 PolarHBondContact O-N 3.14Å; S142-I146 WeakPolarHBondContact O-CG1 3.26Å; S142-I146 PolarHBondContact O-N 3.4Å
143L41Very low42.3Very low93 Ų9390.1 Ų90.149%0.48747%0.469SS..Hα-helixtrans-52.9-47.6173.5-104.2164.5000113S139 L140 F145 I146 A147S139-L143 PolarHBondContact O-N 3.49Å; L140-L143 HydrophobicContact CD1-CD1 4.1Å; L143-F145 PolarHBondContact O-N 3.29Å; L143-I146 PolarHBondContact O-N 3.48Å; L143-A147 WeakPolarHBondContact O-CB 3.43Å; L143-A147 PolarHBondContact O-N 3.11Å
144P39.4Very low42.4Very low88 Ų8890 Ų9057%0.57147%0.472SS*.Hα-helixtrans-58.3-28.7169.4-2835.2000114.9L140 Y148L140-P144 WeakPolarHBondContact O-CD 3.36Å; P144-Y148 WeakPolarHBondContact O-CB 3.47Å; P144-Y148 PolarHBondContact O-N 2.85Å
145F37.7Very low42.4Very low159 Ų15988.9 Ų88.970%0.69747%0.466SS*.Hα-helixtrans-86.2-35.2-177.3-147-84.9000112.6S142 L143 Y148 G149S142-F145 CarbonylContact O-C 3.57Å; S142-F145 WeakPolarHBondContact O-CA 3.38Å; S142-F145 WeakPolarHBondContact O-CB 3.33Å; S142-F145 PolarHBondContact O-N 3.14Å; L143-F145 PolarHBondContact O-N 3.29Å; F145-Y148 PolarHBondContact O-N 2.84Å; F145-G149 PolarHBondContact O-N 3.39Å
146I39Very low42.3Very low107 Ų10787.6 Ų87.655%0.54946%0.459SS..Hα-helixtrans-71.5-44.3171.3-64.6165.8000109.1S142 L143 Y148 G149 S150S142-I146 WeakPolarHBondContact O-CG1 3.26Å; S142-I146 PolarHBondContact O-N 3.4Å; L143-I146 PolarHBondContact O-N 3.48Å; I146-Y148 VanDerWaalsContact C-N 3.34Å; I146-Y148 PolarHBondContact O-N 2.59Å; I146-G149 VanDerWaalsContact O-CA 3.3Å; I146-G149 WeakPolarHBondContact O-CA 3.47Å; I146-G149 PolarHBondContact O-N 3.13Å; I146-S150 PolarHBondContact O-N 3.34Å
147A38.1Very low42.4Very low38 Ų3891.1 Ų91.131%0.31448%0.476SS..Hα-helixtrans-58.7-44.6169.200000110.8L143 G149 S150 I151L143-A147 WeakPolarHBondContact O-CB 3.43Å; L143-A147 PolarHBondContact O-N 3.11Å; A147-G149 PolarHBondContact O-N 2.67Å; A147-S150 PolarHBondContact O-N 3.29Å; A147-I151 HydrophobicContact CB-CD1 4.08Å; A147-I151 WeakPolarHBondContact O-CA 3.34Å; A147-I151 WeakPolarHBondContact O-CB 3.49Å; A147-I151 WeakPolarHBondContact O-CD1 3.45Å; A147-I151 WeakPolarHBondContact O-CG1 3.42Å; A147-I151 PolarHBondContact O-N 2.85Å
148Y37.1Very low42.5Very low147 Ų14792 Ų9258%0.57648%0.481SS*.Hα-helixtrans-60-29.1172.2-178.7-103.7000112.9P144 F145 I146 K152P144-Y148 WeakPolarHBondContact O-CB 3.47Å; P144-Y148 PolarHBondContact O-N 2.85Å; F145-Y148 PolarHBondContact O-N 2.84Å; I146-Y148 VanDerWaalsContact C-N 3.34Å; I146-Y148 PolarHBondContact O-N 2.59Å; Y148-K152 WeakPolarHBondContact O-CB 3.43Å; Y148-K152 PolarHBondContact O-N 2.8Å
149G38Very low42.6Very low35 Ų3591 Ų9136%0.36148%0.476SS..Hα-helixtrans-61.7-62169.200000112.6F145 I146 A147 K152 E153F145-G149 PolarHBondContact O-N 3.39Å; I146-G149 VanDerWaalsContact O-CA 3.3Å; I146-G149 WeakPolarHBondContact O-CA 3.47Å; I146-G149 PolarHBondContact O-N 3.13Å; A147-G149 PolarHBondContact O-N 2.67Å; G149-K152 WeakPolarHBondContact O-CB 3.37Å; G149-K152 PolarHBondContact O-N 3.15Å; G149-K152 VanDerWaalsContact O-N 3.16Å; G149-E153 PolarHBondContact O-N 3.07Å
150S37.1Very low42.8Very low68 Ų6893 Ų9348%0.47648%0.481SS..Hα-helixtrans-64.1-45.6-179.8-580000112.4I146 A147 K152 E153 D154I146-S150 PolarHBondContact O-N 3.34Å; A147-S150 PolarHBondContact O-N 3.29Å; S150-K152 PolarHBondContact O-N 3.28Å; S150-E153 PolarHBondContact O-N 3.48Å; S150-D154 PolarHBondContact O-N 2.7Å
151I40.7Very low43.1Very low75 Ų7598.4 Ų98.439%0.38550%0.498SS..Hα-helixtrans-57.4-36.1173.7-66.5166.6000110.1A147 E153 F155A147-I151 HydrophobicContact CB-CD1 4.08Å; A147-I151 WeakPolarHBondContact O-CA 3.34Å; A147-I151 WeakPolarHBondContact O-CB 3.49Å; A147-I151 WeakPolarHBondContact O-CD1 3.45Å; A147-I151 WeakPolarHBondContact O-CG1 3.42Å; A147-I151 PolarHBondContact O-N 2.85Å; I151-E153 VanDerWaalsContact C-N 3.3Å; I151-E153 PolarHBondContact O-N 3.48Å; I151-F155 HydrophobicContact CG2-CB 4.33Å; I151-F155 WeakPolarHBondContact O-CA 3.25Å; I151-F155 WeakPolarHBondContact O-CB 3.24Å; I151-F155 PolarHBondContact O-N 2.74Å
152K41Very low42.9Very low118 Ų11897 Ų9751%0.51349%0.491SS..Hα-helixtrans-65.2-32.7176177.7-177.4177.3-169.80112.3Y148 G149 S150 N156Y148-K152 WeakPolarHBondContact O-CB 3.43Å; Y148-K152 PolarHBondContact O-N 2.8Å; G149-K152 WeakPolarHBondContact O-CB 3.37Å; G149-K152 PolarHBondContact O-N 3.15Å; G149-K152 VanDerWaalsContact O-N 3.16Å; S150-K152 PolarHBondContact O-N 3.28Å; K152-N156 WeakPolarHBondContact O-CB 3.04Å; K152-N156 VanDerWaalsContact O-CG 3.3Å; K152-N156 PolarHBondContact O-N 3.28Å; K152-N156 VanDerWaalsContact O-N 3.12Å; K152-N156 PolarHBondContact O-ND2 3.45Å
153E46.7Very low42.9Very low151 Ų151103.5 Ų103.571%0.70651%0.51SS*.Hα-helixtrans-77.3-46.9177.3-66.7-174.6140.400111G149 S150 I151 F155 N156 H157G149-E153 PolarHBondContact O-N 3.07Å; S150-E153 PolarHBondContact O-N 3.48Å; I151-E153 VanDerWaalsContact C-N 3.3Å; I151-E153 PolarHBondContact O-N 3.48Å; E153-F155 PolarHBondContact O-N 3.48Å; E153-N156 PolarHBondContact O-N 3.01Å; E153-H157 PolarHBondContact O-N 3.35Å
154D46.6Very low43Very low106 Ų106101.8 Ų101.857%0.56751%0.51SS*.Hα-helixtrans-65.5-37.3174.9-74.9-48.7000113S150 H157 F158S150-D154 PolarHBondContact O-N 2.7Å; D154-H157 CarbonylContact O-C 3.55Å; D154-H157 PolarHBondContact O-N 2.86Å; D154-H157 VanDerWaalsContact O-N 3.16Å; D154-F158 VanDerWaalsContact O-CB 3.26Å; D154-F158 WeakPolarHBondContact O-CB 3.39Å; D154-F158 PolarHBondContact O-N 3.09Å
155F43.4Very low43Very low76 Ų76100.1 Ų100.133%0.33351%0.508SS..Hα-helixtrans-70.6-33.8176.3-167.1-102.4000111.5I151 E153 H157 F158 L159 F367I151-F155 HydrophobicContact CG2-CB 4.33Å; I151-F155 WeakPolarHBondContact O-CA 3.25Å; I151-F155 WeakPolarHBondContact O-CB 3.24Å; I151-F155 PolarHBondContact O-N 2.74Å; E153-F155 PolarHBondContact O-N 3.48Å; F155-H157 VanDerWaalsContact C-N 3.34Å; F155-F158 HydrophobicContact CD2-CD1 4.22Å; F155-F158 HydrophobicContact CE2-CD1 4.32Å; F155-F158 PolarHBondContact O-N 3.1Å; F155-L159 HydrophobicContact CD1-CD1 3.68Å; F155-L159 HydrophobicContact CD1-CG 4.02Å; F155-L159 HydrophobicContact CE1-CD1 3.59Å; F155-L159 HydrophobicContact CE1-CD2 4.26Å; F155-L159 HydrophobicContact CE1-CG 3.89Å; F155-L159 HydrophobicContact CZ-CD2 4.45Å; F155-L159 HydrophobicContact CZ-CG 4.4Å; F155-L159 VanDerWaalsContact O-CB 3.25Å; F155-L159 WeakPolarHBondContact O-CB 3.37Å; F155-L159 VanDerWaalsContact O-CG 3.22Å; F155-L159 WeakPolarHBondContact O-CG 3.43Å; F155-L159 PolarHBondContact O-N 3.4Å; F155-F367 HydrophobicContact CE1-CZ 4.03Å; F155-F367 HydrophobicContact CZ-CE1 4.31Å; F155-F367 AromaticContact CZ-CE2 3.81Å; F155-F367 HydrophobicContact CZ-CE2 3.81Å; F155-F367 AromaticContact CZ-CZ 3.56Å; F155-F367 HydrophobicContact CZ-CZ 3.56Å
156N47.6Very low43Very low80 Ų8099.4 Ų99.443%0.42851%0.512SS..Hα-helixtrans-66.9-36.7167.8-83.5-53.5000111.5K152 E153 N160K152-N156 WeakPolarHBondContact O-CB 3.04Å; K152-N156 VanDerWaalsContact O-CG 3.3Å; K152-N156 PolarHBondContact O-N 3.28Å; K152-N156 VanDerWaalsContact O-N 3.12Å; K152-N156 PolarHBondContact O-ND2 3.45Å; E153-N156 PolarHBondContact O-N 3.01Å; N156-N160 WeakPolarHBondContact O-CB 3.42Å; N156-N160 PolarHBondContact O-N 2.73Å; N156-N160 PolarHBondContact O-ND2 2.77Å; N156-N160 VanDerWaalsContact O-ND2 3.12Å
157H49.7Very low42.7Very low142 Ų142104.3 Ų104.366%0.65752%0.523SS*.Hα-helixtrans-70-34.9176.4-149.6-47000112.4E153 D154 F155 Y161E153-H157 PolarHBondContact O-N 3.35Å; D154-H157 CarbonylContact O-C 3.55Å; D154-H157 PolarHBondContact O-N 2.86Å; D154-H157 VanDerWaalsContact O-N 3.16Å; F155-H157 VanDerWaalsContact C-N 3.34Å; H157-Y161 WeakPolarHBondContact O-CB 3.45Å; H157-Y161 PolarHBondContact O-N 3.43Å
158F47.2Very low42.7Very low73 Ų73111.2 Ų111.232%0.3255%0.549SS..Hα-helixtrans-72.1-43174.1176.8-108000112.5D154 F155 N160 Y161 L162 L196D154-F158 VanDerWaalsContact O-CB 3.26Å; D154-F158 WeakPolarHBondContact O-CB 3.39Å; D154-F158 PolarHBondContact O-N 3.09Å; F155-F158 HydrophobicContact CD2-CD1 4.22Å; F155-F158 HydrophobicContact CE2-CD1 4.32Å; F155-F158 PolarHBondContact O-N 3.1Å; F158-N160 VanDerWaalsContact C-N 3.35Å; F158-Y161 WeakPolarHBondContact O-CB 3.25Å; F158-Y161 PolarHBondContact O-N 2.76Å; F158-L162 HydrophobicContact CD1-CD1 3.96Å; F158-L162 HydrophobicContact CE1-CD1 3.51Å; F158-L162 HydrophobicContact CE2-CD1 4.29Å; F158-L162 HydrophobicContact CZ-CD1 3.7Å; F158-L162 HydrophobicContact CZ-CG 4.43Å; F158-L162 PolarHBondContact O-N 3.08Å; F158-L196 HydrophobicContact CZ-CD2 3.81Å
159L47.5Very low42.4Very low59 Ų59114.6 Ų114.631%0.30956%0.561SS.*Hα-helixtrans-60.1-44170.7-78.6174.7000111.1F155 Y161 L162 Y163F155-L159 HydrophobicContact CD1-CD1 3.68Å; F155-L159 HydrophobicContact CD1-CG 4.02Å; F155-L159 HydrophobicContact CE1-CD1 3.59Å; F155-L159 HydrophobicContact CE1-CD2 4.26Å; F155-L159 HydrophobicContact CE1-CG 3.89Å; F155-L159 HydrophobicContact CZ-CD2 4.45Å; F155-L159 HydrophobicContact CZ-CG 4.4Å; F155-L159 VanDerWaalsContact O-CB 3.25Å; F155-L159 WeakPolarHBondContact O-CB 3.37Å; F155-L159 VanDerWaalsContact O-CG 3.22Å; F155-L159 WeakPolarHBondContact O-CG 3.43Å; F155-L159 PolarHBondContact O-N 3.4Å; L159-Y161 VanDerWaalsContact C-N 3.34Å; L159-Y161 PolarHBondContact O-N 2.76Å; L159-L162 PolarHBondContact O-N 3.2Å; L159-Y163 WeakPolarHBondContact O-CB 3.47Å; L159-Y163 PolarHBondContact O-N 3.34Å
160N50.3Low41.9Very low111 Ų111119.2 Ų119.259%0.59458%0.582SS**Hα-helixtrans-62.9-38.5174.6-82.7-40.7000112.2N156 F158 Y163 A164N156-N160 WeakPolarHBondContact O-CB 3.42Å; N156-N160 PolarHBondContact O-N 2.73Å; N156-N160 PolarHBondContact O-ND2 2.77Å; N156-N160 VanDerWaalsContact O-ND2 3.12Å; F158-N160 VanDerWaalsContact C-N 3.35Å; N160-Y163 PolarHBondContact O-N 3.18Å; N160-A164 WeakPolarHBondContact O-CB 3.35Å; N160-A164 PolarHBondContact O-N 2.85Å
161Y48.5Very low41.4Very low179 Ų179125 Ų12570%0.70260%0.599SS**Hα-helixtrans-62.9-44.7174.6-176.6-102.5000111.9H157 F158 L159 G165H157-Y161 WeakPolarHBondContact O-CB 3.45Å; H157-Y161 PolarHBondContact O-N 3.43Å; F158-Y161 WeakPolarHBondContact O-CB 3.25Å; F158-Y161 PolarHBondContact O-N 2.76Å; L159-Y161 VanDerWaalsContact C-N 3.34Å; L159-Y161 PolarHBondContact O-N 2.76Å; Y161-G165 PolarHBondContact O-N 3.46Å
162L41.7Very low40.8Very low88 Ų88126.1 Ų126.146%0.46161%0.614SS.*Hα-helixtrans-64.7-42.8174.4-74.9168.6000112.7F158 L159 N166F158-L162 HydrophobicContact CD1-CD1 3.96Å; F158-L162 HydrophobicContact CE1-CD1 3.51Å; F158-L162 HydrophobicContact CE2-CD1 4.29Å; F158-L162 HydrophobicContact CZ-CD1 3.7Å; F158-L162 HydrophobicContact CZ-CG 4.43Å; F158-L162 PolarHBondContact O-N 3.08Å; L159-L162 PolarHBondContact O-N 3.2Å; L162-N166 PolarHBondContact O-N 3.39Å
163Y43.9Very low40.2Very low180 Ų180129.8 Ų129.871%0.70663%0.63SS**Hα-helixtrans-70.4-34.3178.6-110.4-90.5000113L159 N160L159-Y163 WeakPolarHBondContact O-CB 3.47Å; L159-Y163 PolarHBondContact O-N 3.34Å; N160-Y163 PolarHBondContact O-N 3.18Å
164A42.3Very low39.7Very low58 Ų58130.5 Ų130.548%0.47963%0.633SS.*Hα-helixtrans-67.5-47.8174.200000111.2N160 N166 R167N160-A164 WeakPolarHBondContact O-CB 3.35Å; N160-A164 PolarHBondContact O-N 2.85Å; A164-N166 PolarHBondContact O-N 2.91Å; A164-N166 VanDerWaalsContact O-N 3.14Å; A164-R167 PolarHBondContact O-N 2.82Å
165G39.4Very low39Very low52 Ų52134 Ų13454%0.53665%0.646SS.*Hα-helixtrans-60.2-2417900000114.6Y161Y161-G165 PolarHBondContact O-N 3.46Å
166N38.5Very low38.6Very low145 Ų145137.2 Ų137.278%0.77567%0.667SS**THydrogen-bonded Turntrans-87.4-7.9174.2-104.33000114.5L162 A164L162-N166 PolarHBondContact O-N 3.39Å; A164-N166 PolarHBondContact O-N 2.91Å; A164-N166 VanDerWaalsContact O-N 3.14Å
167R32.1Very low38Very low210 Ų210142.2 Ų142.279%0.79269%0.688SS**THydrogen-bonded Turntrans-96.4-20.6-172.9-142.5176.2-161.6-172.55.9114.9A164A164-R167 PolarHBondContact O-N 2.82Å
168E37.2Very low37.3Very low183 Ų183142.7 Ų142.786%0.85569%0.69SS**SBendtrans-98.512.6-175.6-62.2-166.6145.500114.5
169R31Very low36.8Very low218 Ų218149.2 Ų149.282%0.82371%0.714SS**  trans-12063.4167.3-88.1-171.1-72.4166.1-3112.8F171R169-F171 VanDerWaalsContact C-N 3.25Å; R169-F171 PolarHBondContact O-N 2.8Å
170T27.9Very low36.5Very low132 Ų132152.8 Ų152.881%0.8173%0.731SS**  trans-69.384.5155.5520000109.6
171F27.5Very low36.2Very low189 Ų189150.4 Ų150.483%0.82972%0.723SS**  trans-134.5137.9165.9-134-93.4000109.8R169 F173R169-F171 VanDerWaalsContact C-N 3.25Å; R169-F171 PolarHBondContact O-N 2.8Å; F171-F173 PolarHBondContact O-N 2.77Å
172S26.4Very low36.2Very low99 Ų99146.6 Ų146.669%0.69272%0.72SS**  trans-52.1124.6-171.548.40000113.2
173F29.7Very low36.4Very low195 Ų195150.3 Ų150.386%0.85573%0.729SS**  trans-101107.2153.6-152.9-88.5000107.3F171F171-F173 PolarHBondContact O-N 2.77Å
174E35.8Very low36.6Very low166 Ų166145.3 Ų145.378%0.77671%0.714SS**  trans-79.2145.1175.2-163.3169.2147.500109.4N176E174-N176 PolarHBondContact O-N 3.44Å
175E32.4Very low36.7Very low180 Ų180144.8 Ų144.884%0.84171%0.71SS**  trans-71.9110-169.3-177.3172.9-137.800111.6
176N34.2Very low37.2Very low143 Ų143147.8 Ų147.877%0.76571%0.713SS**  trans-152.7129.3161.6-89.8-72.9000110.3E174E174-N176 PolarHBondContact O-N 3.44Å
177E35.3Very low37.9Very low185 Ų185144.4 Ų144.486%0.86469%0.694SS**  trans-90.5-175.4176-67-169104.300112.5
178E35.2Very low38.7Very low152 Ų152138 Ų13871%0.7168%0.678SS**  trans75.4148.9172.9-48.5-160.2110.900118.6
179Y37Very low39.2Very low209 Ų209133.5 Ų133.582%0.8266%0.664SS**  trans64.635168.5-51.2-73.8000120.1S181Y179-S181 PolarHBondContact O-N 2.94Å
180M40.3Very low39.9Very low135 Ų135132 Ų13267%0.66566%0.658SS**  trans-80.6103.4162-17159.9149.800111.6N184M180-N184 HydrophobicContact CE-CB 3.58Å; M180-N184 HydrophobicContact SD-CB 3.63Å
181S43.5Very low41.1Very low61 Ų61130 Ų13043%0.42764%0.642SS.*  trans-60.3140.6177.9173.40000112.6Y179 Y183 N184Y179-S181 PolarHBondContact O-N 2.94Å; S181-Y183 PolarHBondContact O-N 2.82Å; S181-N184 PolarHBondContact O-N 3.32Å
182P48.6Very low42.2Very low98 Ų98126.5 Ų126.564%0.63663%0.627SS**Hα-helixtrans-58.4-23179.623.6-34.8000113.5N184 A185 I186P182-N184 VanDerWaalsContact C-N 3.31Å; P182-N184 PolarHBondContact O-N 2.92Å; P182-A185 PolarHBondContact O-N 2.67Å; P182-I186 WeakPolarHBondContact O-CG1 3.19Å; P182-I186 PolarHBondContact O-N 2.94Å; P182-I186 VanDerWaalsContact O-N 3.17Å
183Y46.3Very low43.2Very low167 Ų167126.4 Ų126.466%0.65562%0.618SS**Hα-helixtrans-61.5-37.9175.2-158.1-102.3000112.7S181 I186 I187S181-Y183 PolarHBondContact O-N 2.82Å; Y183-I186 PolarHBondContact O-N 3.35Å; Y183-I187 HydrophobicContact CD1-CD1 3.69Å; Y183-I187 HydrophobicContact CE1-CD1 3.66Å; Y183-I187 WeakPolarHBondContact O-CG1 3.45Å; Y183-I187 PolarHBondContact O-N 3.46Å
184N48.8Very low44.2Very low74 Ų74119.9 Ų119.940%0.39660%0.597SS.*Hα-helixtrans-75.2-31.7-179.9-67.7-5.8000112.1M180 S181 P182 T188M180-N184 HydrophobicContact CE-CB 3.58Å; M180-N184 HydrophobicContact SD-CB 3.63Å; S181-N184 PolarHBondContact O-N 3.32Å; P182-N184 VanDerWaalsContact C-N 3.31Å; P182-N184 PolarHBondContact O-N 2.92Å; N184-T188 WeakPolarHBondContact O-CB 3.39Å; N184-T188 PolarHBondContact O-N 3.4Å; N184-T188 VanDerWaalsContact O-N 3.08Å; N184-T188 PolarHBondContact O-OG1 2.82Å
185A44.6Very low44.9Very low48 Ų48119.2 Ų119.240%0.39759%0.593SS.*Hα-helixtrans-61.8-50.3171.300000110.5P182 I187 T188 T189P182-A185 PolarHBondContact O-N 2.67Å; A185-I187 VanDerWaalsContact C-N 3.33Å; A185-I187 PolarHBondContact O-N 2.99Å; A185-T188 WeakPolarHBondContact O-CB 3.38Å; A185-T188 PolarHBondContact O-N 3.42Å; A185-T189 PolarHBondContact O-N 3.49Å; A185-T189 PolarHBondContact O-OG1 3.13Å; A185-T189 VanDerWaalsContact O-OG1 3.12Å
186I49.7Very low45.7Very low115 Ų115112.9 Ų112.959%0.5957%0.565SS**Hα-helixtrans-57.5-43.3179.5-66.5164.3000111.9P182 Y183 T188 R190P182-I186 WeakPolarHBondContact O-CG1 3.19Å; P182-I186 PolarHBondContact O-N 2.94Å; P182-I186 VanDerWaalsContact O-N 3.17Å; Y183-I186 PolarHBondContact O-N 3.35Å; I186-T188 VanDerWaalsContact C-N 3.35Å; I186-R190 VanDerWaalsContact O-CB 3.25Å; I186-R190 WeakPolarHBondContact O-CB 3.3Å; I186-R190 PolarHBondContact O-N 2.98Å
187I53.3Low46.3Very low74 Ų74110.5 Ų110.538%0.37955%0.552SS.*Hα-helixtrans-63.4-40.5175.6-69.6162.2000111.4Y183 A185 R190 N191Y183-I187 HydrophobicContact CD1-CD1 3.69Å; Y183-I187 HydrophobicContact CE1-CD1 3.66Å; Y183-I187 WeakPolarHBondContact O-CG1 3.45Å; Y183-I187 PolarHBondContact O-N 3.46Å; A185-I187 VanDerWaalsContact C-N 3.33Å; A185-I187 PolarHBondContact O-N 2.99Å; I187-R190 PolarHBondContact O-N 3.14Å; I187-N191 WeakPolarHBondContact O-CB 3.48Å; I187-N191 PolarHBondContact O-N 3.48Å
188T48Very low47Very low75 Ų75105.3 Ų105.346%0.4653%0.534SS..Hα-helixtrans-66.5-45.3179.8-55.30000111.5N184 A185 I186 N191 K192N184-T188 WeakPolarHBondContact O-CB 3.39Å; N184-T188 PolarHBondContact O-N 3.4Å; N184-T188 VanDerWaalsContact O-N 3.08Å; N184-T188 PolarHBondContact O-OG1 2.82Å; A185-T188 WeakPolarHBondContact O-CB 3.38Å; A185-T188 PolarHBondContact O-N 3.42Å; I186-T188 VanDerWaalsContact C-N 3.35Å; T188-N191 PolarHBondContact O-N 3.48Å; T188-K192 PolarHBondContact O-N 3.38Å
189T48Very low47.6Very low89 Ų8999.7 Ų99.755%0.54652%0.517SS..Hα-helixtrans-63.7-42.6175.4-47.50000111.3A185 N191 K192 L193A185-T189 PolarHBondContact O-N 3.49Å; A185-T189 PolarHBondContact O-OG1 3.13Å; A185-T189 VanDerWaalsContact O-OG1 3.12Å; T189-N191 VanDerWaalsContact C-N 3.3Å; T189-N191 PolarHBondContact O-N 3.33Å; T189-K192 PolarHBondContact O-N 3.44Å; T189-L193 WeakPolarHBondContact O-CB 3.41Å; T189-L193 PolarHBondContact O-N 3.32Å
190R45.6Very low48.2Very low187 Ų18792.9 Ų92.971%0.70649%0.493SS*.Hα-helixtrans-60.2-37175.1176.1175.2163.5129.8-2.8112.6I186 I187 S194I186-R190 VanDerWaalsContact O-CB 3.25Å; I186-R190 WeakPolarHBondContact O-CB 3.3Å; I186-R190 PolarHBondContact O-N 2.98Å; I187-R190 PolarHBondContact O-N 3.14Å; R190-S194 PolarHBondContact O-N 2.91Å; R190-S194 PolarHBondContact O-OG 2.99Å
191N53.8Low48.5Very low88 Ų8890.1 Ų90.147%0.47148%0.481SS..Hα-helixtrans-75.5-32.5177-77.2-12.1000113.4I187 T188 T189 S194 Q195I187-N191 WeakPolarHBondContact O-CB 3.48Å; I187-N191 PolarHBondContact O-N 3.48Å; T188-N191 PolarHBondContact O-N 3.48Å; T189-N191 VanDerWaalsContact C-N 3.3Å; T189-N191 PolarHBondContact O-N 3.33Å; N191-S194 PolarHBondContact O-OG 2.97Å; N191-S194 VanDerWaalsContact O-OG 3.06Å; N191-Q195 WeakPolarHBondContact O-CG 3.45Å; N191-Q195 PolarHBondContact O-N 2.69Å
192K50.7Low48.9Very low117 Ų11795.5 Ų95.551%0.50949%0.492SS..Hα-helixtrans-67-43167.4-77.4-169.3179.9178.60111.4T188 T189 S194 Q195 L196 E368T188-K192 PolarHBondContact O-N 3.38Å; T189-K192 PolarHBondContact O-N 3.44Å; K192-S194 VanDerWaalsContact C-N 3.32Å; K192-S194 PolarHBondContact O-N 3.41Å; K192-Q195 WeakPolarHBondContact O-CB 3.34Å; K192-Q195 PolarHBondContact O-N 3.03Å; K192-L196 PolarHBondContact O-N 3.03Å; K192-E368 IonicContact NZ-OE1 2.67Å
193L46.2Very low49Very low96 Ų9695 Ų9550%0.50348%0.484SS..Hα-helixtrans-64.4-35.4-179.7-169.763.7000112.3T189 Q195 L196 L197T189-L193 WeakPolarHBondContact O-CB 3.41Å; T189-L193 PolarHBondContact O-N 3.32Å; L193-Q195 VanDerWaalsContact C-N 3.25Å; L193-Q195 PolarHBondContact O-N 3.35Å; L193-L196 HydrophobicContact CD1-CD1 4.44Å; L193-L196 PolarHBondContact O-N 3.04Å; L193-L197 PolarHBondContact O-N 2.96Å
194S50.3Low49.1Very low59 Ų5989.7 Ų89.741%0.41347%0.469SS..Hα-helixtrans-70.4-18.2173.972.30000114.1R190 N191 K192 P198R190-S194 PolarHBondContact O-N 2.91Å; R190-S194 PolarHBondContact O-OG 2.99Å; N191-S194 PolarHBondContact O-OG 2.97Å; N191-S194 VanDerWaalsContact O-OG 3.06Å; K192-S194 VanDerWaalsContact C-N 3.32Å; K192-S194 PolarHBondContact O-N 3.41Å; S194-P198 VanDerWaalsContact O-CD 3.26Å; S194-P198 WeakPolarHBondContact O-CD 3.32Å
195Q51.9Low49.2Very low151 Ų15191 Ų9171%0.70647%0.471SS*.Hα-helixtrans-85.9-27.8169.5-68.2178.2-3.300112.8N191 K192 L193 P198N191-Q195 WeakPolarHBondContact O-CG 3.45Å; N191-Q195 PolarHBondContact O-N 2.69Å; K192-Q195 WeakPolarHBondContact O-CB 3.34Å; K192-Q195 PolarHBondContact O-N 3.03Å; L193-Q195 VanDerWaalsContact C-N 3.25Å; L193-Q195 PolarHBondContact O-N 3.35Å; Q195-P198 WeakPolarHBondContact O-CD 3.47Å; Q195-P198 WeakPolarHBondContact O-CG 3.49Å
196L49.5Very low49.4Very low47 Ų4792.9 Ų92.925%0.24647%0.474CS..Hα-helixtrans-73.2-33.4170.9-72.1168.9000112.5F158 K192 L193 G199 M200 L364F158-L196 HydrophobicContact CZ-CD2 3.81Å; K192-L196 PolarHBondContact O-N 3.03Å; L193-L196 HydrophobicContact CD1-CD1 4.44Å; L193-L196 PolarHBondContact O-N 3.04Å; L196-G199 WeakPolarHBondContact O-CA 3.42Å; L196-G199 PolarHBondContact O-N 3.37Å; L196-M200 PolarHBondContact O-N 2.85Å; L196-L364 HydrophobicContact CD1-CD1 4.17Å; L196-L364 HydrophobicContact CD1-CD2 4.44Å
197L46.7Very low49.4Very low94 Ų9491.7 Ų91.749%0.49247%0.468SS..Hα-helixtrans-51.6-47.3-178.6-147.374.9000115L193 G199 M200 N201L193-L197 PolarHBondContact O-N 2.96Å; L197-G199 VanDerWaalsContact C-N 3.3Å; L197-G199 PolarHBondContact O-N 3.45Å; L197-M200 PolarHBondContact O-N 3.36Å; L197-N201 WeakPolarHBondContact O-CB 3.46Å; L197-N201 PolarHBondContact O-N 2.85Å; L197-N201 PolarHBondContact O-ND2 3.32Å
198P48.5Very low49.3Very low75 Ų7590.1 Ų90.149%0.48746%0.459SS..Hα-helixtrans-65.9-28.9173.925.9-35.6000113.5S194 Q195 R202S194-P198 VanDerWaalsContact O-CD 3.26Å; S194-P198 WeakPolarHBondContact O-CD 3.32Å; Q195-P198 WeakPolarHBondContact O-CD 3.47Å; Q195-P198 WeakPolarHBondContact O-CG 3.49Å; P198-R202 VanDerWaalsContact O-CB 3.32Å; P198-R202 WeakPolarHBondContact O-CB 3.43Å; P198-R202 PolarHBondContact O-N 2.87Å
199G48.5Very low49.6Very low34 Ų3488.7 Ų88.735%0.35145%0.454SS..Hα-helixtrans-69.7-45.6174.500000112.3L196 L197 R202 L203L196-G199 WeakPolarHBondContact O-CA 3.42Å; L196-G199 PolarHBondContact O-N 3.37Å; L197-G199 VanDerWaalsContact C-N 3.3Å; L197-G199 PolarHBondContact O-N 3.45Å; G199-R202 PolarHBondContact O-N 2.95Å; G199-L203 PolarHBondContact O-N 3.28Å
200M49.4Very low49.7Very low67 Ų6786.4 Ų86.433%0.3345%0.449SS..Hα-helixtrans-63.2-44.6172.7-73.8-173.467.800111.8L196 L197 R202 L203 V204 I360L196-M200 PolarHBondContact O-N 2.85Å; L197-M200 PolarHBondContact O-N 3.36Å; M200-R202 VanDerWaalsContact C-N 3.27Å; M200-R202 PolarHBondContact O-N 3.35Å; M200-L203 PolarHBondContact O-N 3.49Å; M200-V204 WeakPolarHBondContact O-CB 3.35Å; M200-V204 WeakPolarHBondContact O-CG2 3.42Å; M200-V204 PolarHBondContact O-N 2.85Å; M200-I360 HydrophobicContact CE-CD1 3.97Å; M200-I360 HydrophobicContact CE-CG2 4.42Å; M200-I360 HydrophobicContact SD-CG2 4.45Å
201N47.5Very low50.1Low77 Ų7780.4 Ų80.441%0.41243%0.43SS..Hα-helixtrans-58.9-40.5176-73.1-15.6000111.4L197 V204 F205L197-N201 WeakPolarHBondContact O-CB 3.46Å; L197-N201 PolarHBondContact O-N 2.85Å; L197-N201 PolarHBondContact O-ND2 3.32Å; N201-V204 PolarHBondContact O-N 3.27Å; N201-F205 WeakPolarHBondContact O-CB 3.37Å; N201-F205 WeakPolarHBondContact O-CD2 3.35Å; N201-F205 PolarHBondContact O-N 3.14Å
202R50.4Low50.1Low173 Ų17378.7 Ų78.765%0.65342%0.423SS*.Hα-helixtrans-63.8-50.1175.6-178.1171.6-179.61760.9111.8P198 G199 M200 V204 F205 D206P198-R202 VanDerWaalsContact O-CB 3.32Å; P198-R202 WeakPolarHBondContact O-CB 3.43Å; P198-R202 PolarHBondContact O-N 2.87Å; G199-R202 PolarHBondContact O-N 2.95Å; M200-R202 VanDerWaalsContact C-N 3.27Å; M200-R202 PolarHBondContact O-N 3.35Å; R202-V204 VanDerWaalsContact C-N 3.28Å; R202-V204 PolarHBondContact O-N 3.05Å; R202-F205 CarbonylContact O-C 3.49Å; R202-F205 WeakPolarHBondContact O-CA 3.45Å; R202-F205 WeakPolarHBondContact O-CB 3.17Å; R202-F205 PolarHBondContact O-N 3.38Å; R202-D206 WeakPolarHBondContact CG-OD2 3.11Å; R202-D206 IonicContact NE-OD2 3.24Å; R202-D206 VanDerWaalsContact O-CG 3.26Å; R202-D206 PolarHBondContact O-N 3.49Å
203L50.5Low50.3Low87 Ų8778.4 Ų78.446%0.45543%0.427SS..Hα-helixtrans-61.2-34.8177.5-175.7145.1000112.6G199 M200 I207G199-L203 PolarHBondContact O-N 3.28Å; M200-L203 PolarHBondContact O-N 3.49Å; L203-I207 HydrophobicContact CD2-CD1 3.64Å; L203-I207 HydrophobicContact CG-CD1 4.45Å; L203-I207 WeakPolarHBondContact O-CB 3.48Å; L203-I207 VanDerWaalsContact O-CG1 3.29Å; L203-I207 WeakPolarHBondContact O-CG1 3.17Å; L203-I207 PolarHBondContact O-N 3Å
204V50.4Low50.7Low57 Ų5777.9 Ų77.935%0.34542%0.42SS..Hα-helixtrans-68.3-39.1170.8170.40000111.7M200 N201 R202 F208 V420M200-V204 WeakPolarHBondContact O-CB 3.35Å; M200-V204 WeakPolarHBondContact O-CG2 3.42Å; M200-V204 PolarHBondContact O-N 2.85Å; N201-V204 PolarHBondContact O-N 3.27Å; R202-V204 VanDerWaalsContact C-N 3.28Å; R202-V204 PolarHBondContact O-N 3.05Å; V204-F208 WeakPolarHBondContact O-CB 3.44Å; V204-F208 PolarHBondContact O-N 3.19Å; V204-V420 HydrophobicContact CG1-CG2 4.03Å
205F49.7Very low51Low102 Ų10276 Ų7645%0.44741%0.405SS..Hα-helixtrans-65.2-39.1173.1-104.2-83000112.6N201 R202 F208 A209 F421N201-F205 WeakPolarHBondContact O-CB 3.37Å; N201-F205 WeakPolarHBondContact O-CD2 3.35Å; N201-F205 PolarHBondContact O-N 3.14Å; R202-F205 CarbonylContact O-C 3.49Å; R202-F205 WeakPolarHBondContact O-CA 3.45Å; R202-F205 WeakPolarHBondContact O-CB 3.17Å; R202-F205 PolarHBondContact O-N 3.38Å; F205-F208 PolarHBondContact O-N 2.7Å; F205-A209 VanDerWaalsContact O-CB 3.3Å; F205-A209 WeakPolarHBondContact O-CB 3.3Å; F205-A209 PolarHBondContact O-N 3.06Å; F205-F421 HydrophobicContact CE1-CE1 4.08Å; F205-F421 AromaticContact CE1-CZ 3.99Å; F205-F421 HydrophobicContact CE1-CZ 3.99Å; F205-F421 AromaticContact CZ-CE1 3.69Å; F205-F421 HydrophobicContact CZ-CE1 3.69Å; F205-F421 AromaticContact CZ-CZ 3.93Å; F205-F421 HydrophobicContact CZ-CZ 3.93Å
206D49.2Very low51.2Low86 Ų8672.7 Ų72.746%0.4640%0.398SS..Hα-helixtrans-72.3-37.9179.8-62.7-36000110.7R202 A209 G210R202-D206 WeakPolarHBondContact CG-OD2 3.11Å; R202-D206 IonicContact NE-OD2 3.24Å; R202-D206 VanDerWaalsContact O-CG 3.26Å; R202-D206 PolarHBondContact O-N 3.49Å; D206-A209 PolarHBondContact O-N 3.44Å; D206-G210 PolarHBondContact O-N 2.94Å
207I48.8Very low51.6Low91 Ų9172.7 Ų72.747%0.46740%0.399SS..Hα-helixtrans-63.7-43.8167.8-71.6171.2000111L203 G210 I211L203-I207 HydrophobicContact CD2-CD1 3.64Å; L203-I207 HydrophobicContact CG-CD1 4.45Å; L203-I207 WeakPolarHBondContact O-CB 3.48Å; L203-I207 VanDerWaalsContact O-CG1 3.29Å; L203-I207 WeakPolarHBondContact O-CG1 3.17Å; L203-I207 PolarHBondContact O-N 3Å; I207-G210 PolarHBondContact O-N 3.47Å; I207-I211 HydrophobicContact CG2-CD1 3.76Å; I207-I211 HydrophobicContact CG2-CG1 4.45Å; I207-I211 WeakPolarHBondContact O-CB 3.16Å; I207-I211 VanDerWaalsContact O-CG1 3.3Å; I207-I211 WeakPolarHBondContact O-CG1 3.39Å; I207-I211 PolarHBondContact O-N 3.39Å
208F52.3Low52.1Low40 Ų4068.8 Ų68.818%0.17538%0.378CS..Hα-helixtrans-66-37.9178.3-174-96.6000111.8V204 F205 I211 V212 F421V204-F208 WeakPolarHBondContact O-CB 3.44Å; V204-F208 PolarHBondContact O-N 3.19Å; F205-F208 PolarHBondContact O-N 2.7Å; F208-I211 PolarHBondContact O-N 2.98Å; F208-V212 HydrophobicContact CD1-CG2 3.94Å; F208-V212 HydrophobicContact CE1-CG2 3.59Å; F208-V212 HydrophobicContact CZ-CG2 3.91Å; F208-V212 WeakPolarHBondContact O-CB 3.41Å; F208-V212 VanDerWaalsContact O-CG2 3.29Å; F208-V212 WeakPolarHBondContact O-CG2 3.14Å; F208-V212 PolarHBondContact O-N 3.38Å; F208-F421 HydrophobicContact CD1-CE2 4.35Å; F208-F421 HydrophobicContact CD1-CZ 4.4Å; F208-F421 AromaticContact CE1-CE2 3.89Å; F208-F421 HydrophobicContact CE1-CE2 3.89Å; F208-F421 HydrophobicContact CE1-CZ 4.12Å; F208-F421 HydrophobicContact CE2-CE2 4.35Å; F208-F421 AromaticContact CZ-CE2 3.89Å; F208-F421 HydrophobicContact CZ-CE2 3.89Å
209A53.5Low52.3Low45 Ų4567.2 Ų67.237%0.37237%0.368SS..Hα-helixtrans-62.9-46.817200000110.9F205 D206 I211 V212 D213F205-A209 VanDerWaalsContact O-CB 3.3Å; F205-A209 WeakPolarHBondContact O-CB 3.3Å; F205-A209 PolarHBondContact O-N 3.06Å; D206-A209 PolarHBondContact O-N 3.44Å; A209-I211 VanDerWaalsContact C-N 3.3Å; A209-I211 PolarHBondContact O-N 3.31Å; A209-V212 PolarHBondContact O-N 3.27Å; A209-V212 VanDerWaalsContact O-N 3.16Å; A209-D213 WeakPolarHBondContact O-CB 3.39Å; A209-D213 PolarHBondContact O-N 2.95Å
210G50.2Low52.6Low41 Ų4170.7 Ų70.742%0.42338%0.377SS..Hα-helixtrans-60.1-36.2173.700000113.6D206 I207 F214D206-G210 PolarHBondContact O-N 2.94Å; I207-G210 PolarHBondContact O-N 3.47Å; G210-F214 WeakPolarHBondContact O-CB 3.31Å; G210-F214 PolarHBondContact O-N 3.13Å
211I54.1Low52.5Low61 Ų6172.9 Ų72.931%0.31338%0.382SS..Hα-helixtrans-70.5-41.1173.6-71.9167.9000111.2I207 F208 A209 F214 I215 V413I207-I211 HydrophobicContact CG2-CD1 3.76Å; I207-I211 HydrophobicContact CG2-CG1 4.45Å; I207-I211 WeakPolarHBondContact O-CB 3.16Å; I207-I211 VanDerWaalsContact O-CG1 3.3Å; I207-I211 WeakPolarHBondContact O-CG1 3.39Å; I207-I211 PolarHBondContact O-N 3.39Å; F208-I211 PolarHBondContact O-N 2.98Å; A209-I211 VanDerWaalsContact C-N 3.3Å; A209-I211 PolarHBondContact O-N 3.31Å; I211-F214 PolarHBondContact O-N 3.47Å; I211-I215 HydrophobicContact CG2-CD1 3.65Å; I211-I215 HydrophobicContact CG2-CG1 4.48Å; I211-I215 WeakPolarHBondContact O-CB 3.47Å; I211-I215 WeakPolarHBondContact O-CD1 3.01Å; I211-I215 WeakPolarHBondContact O-CG1 3.45Å; I211-I215 PolarHBondContact O-N 3.14Å; I211-V413 HydrophobicContact CG2-CG2 4.3Å
212V53.4Low52.5Low52 Ų5271.6 Ų71.632%0.31538%0.375SS..Hα-helixtrans-68.1-44.6177.61670000111.1F208 A209 F214 I215 C216F208-V212 HydrophobicContact CD1-CG2 3.94Å; F208-V212 HydrophobicContact CE1-CG2 3.59Å; F208-V212 HydrophobicContact CZ-CG2 3.91Å; F208-V212 WeakPolarHBondContact O-CB 3.41Å; F208-V212 VanDerWaalsContact O-CG2 3.29Å; F208-V212 WeakPolarHBondContact O-CG2 3.14Å; F208-V212 PolarHBondContact O-N 3.38Å; A209-V212 PolarHBondContact O-N 3.27Å; A209-V212 VanDerWaalsContact O-N 3.16Å; V212-F214 VanDerWaalsContact C-N 3.33Å; V212-F214 PolarHBondContact O-N 3.08Å; V212-I215 CarbonylContact O-C 3.58Å; V212-I215 PolarHBondContact O-N 3.15Å; V212-I215 VanDerWaalsContact O-N 3.1Å; V212-C216 WeakPolarHBondContact O-CB 3.49Å; V212-C216 PolarHBondContact O-N 3.36Å; V212-C216 PolarHBondContact O-SG 2.84Å; V212-C216 VanDerWaalsContact O-SG 3.38Å
213D56Low52.1Low112 Ų11268.5 Ų68.560%0.59936%0.364SS*.Hα-helixtrans-62.4-41.4172.9-78.9-14.1000110.7A209 I215 C216 D217A209-D213 WeakPolarHBondContact O-CB 3.39Å; A209-D213 PolarHBondContact O-N 2.95Å; D213-I215 VanDerWaalsContact C-N 3.3Å; D213-I215 PolarHBondContact O-N 3.34Å; D213-C216 PolarHBondContact O-N 3.34Å; D213-D217 VanDerWaalsContact O-CB 3.26Å; D213-D217 WeakPolarHBondContact O-CB 3.37Å; D213-D217 PolarHBondContact O-N 2.97Å
214F54.7Low51.7Low84 Ų8467.7 Ų67.737%0.36837%0.37SS..Hα-helixtrans-61.6-35.8172.2-178-102000112.4G210 I211 V212 D217 I218G210-F214 WeakPolarHBondContact O-CB 3.31Å; G210-F214 PolarHBondContact O-N 3.13Å; I211-F214 PolarHBondContact O-N 3.47Å; V212-F214 VanDerWaalsContact C-N 3.33Å; V212-F214 PolarHBondContact O-N 3.08Å; F214-D217 CarbonylContact O-C 3.59Å; F214-I218 HydrophobicContact CD1-CD1 3.66Å; F214-I218 HydrophobicContact CD1-CG1 4.2Å; F214-I218 HydrophobicContact CE1-CD1 3.48Å; F214-I218 VanDerWaalsContact CE1-CD1 3.48Å; F214-I218 HydrophobicContact CE1-CG1 3.98Å; F214-I218 HydrophobicContact CZ-CD1 4.31Å; F214-I218 HydrophobicContact CZ-CG1 4.37Å; F214-I218 WeakPolarHBondContact O-CA 3.18Å; F214-I218 WeakPolarHBondContact O-CB 3.34Å; F214-I218 VanDerWaalsContact O-CG1 3.26Å; F214-I218 WeakPolarHBondContact O-CG1 3.27Å; F214-I218 PolarHBondContact O-N 3.06Å
215I55.5Low51.2Low19 Ų1968.3 Ų68.310%0.09738%0.376CS..Hα-helixtrans-76-32.7176.6-73.1164.8000112.6I211 V212 D213 I218 P219 L409 V413 W462I211-I215 HydrophobicContact CG2-CD1 3.65Å; I211-I215 HydrophobicContact CG2-CG1 4.48Å; I211-I215 WeakPolarHBondContact O-CB 3.47Å; I211-I215 WeakPolarHBondContact O-CD1 3.01Å; I211-I215 WeakPolarHBondContact O-CG1 3.45Å; I211-I215 PolarHBondContact O-N 3.14Å; V212-I215 CarbonylContact O-C 3.58Å; V212-I215 PolarHBondContact O-N 3.15Å; V212-I215 VanDerWaalsContact O-N 3.1Å; D213-I215 VanDerWaalsContact C-N 3.3Å; D213-I215 PolarHBondContact O-N 3.34Å; I215-I218 HydrophobicContact CG1-CD1 4.16Å; I215-I218 PolarHBondContact O-N 2.88Å; I215-P219 WeakPolarHBondContact O-CD 3.06Å; I215-L409 HydrophobicContact CD1-CD2 4.01Å; I215-L409 HydrophobicContact CG1-CD2 4.3Å; I215-V413 HydrophobicContact CD1-CG2 3.7Å; I215-W462 HydrophobicContact CD1-CZ2 4.33Å; I215-W462 HydrophobicContact CG2-CZ2 4.04Å
216C56.6Low50.7Low82 Ų8266.8 Ų66.855%0.55438%0.378SS*.Hα-helixtrans-75.1-29.1173.1-72.30000112V212 D213 P219V212-C216 WeakPolarHBondContact O-CB 3.49Å; V212-C216 PolarHBondContact O-N 3.36Å; V212-C216 PolarHBondContact O-SG 2.84Å; V212-C216 VanDerWaalsContact O-SG 3.38Å; D213-C216 PolarHBondContact O-N 3.34Å; C216-P219 WeakPolarHBondContact O-CD 3.34Å; C216-P219 WeakPolarHBondContact O-CG 3.17Å
217D58.3Low50.1Low48 Ų4864.6 Ų64.626%0.25738%0.376SS..Hα-helixtrans-85.2-17.8170.1-151.828.9000111.7D213 F214 I220 R221D213-D217 VanDerWaalsContact O-CB 3.26Å; D213-D217 WeakPolarHBondContact O-CB 3.37Å; D213-D217 PolarHBondContact O-N 2.97Å; F214-D217 CarbonylContact O-C 3.59Å; D217-I220 CarbonylContact O-C 3.57Å; D217-I220 WeakPolarHBondContact O-CA 3.29Å; D217-I220 WeakPolarHBondContact O-CB 3.17Å; D217-I220 PolarHBondContact O-N 2.93Å; D217-I220 WeakPolarHBondContact OD1-CB 3.02Å; D217-R221 WeakPolarHBondContact O-CG 3.4Å; D217-R221 PolarHBondContact O-N 3.49Å; D217-R221 IonicContact OD2-CZ 3.33Å; D217-R221 IonicContact OD2-NE 3.87Å; D217-R221 IonicContact OD2-NH1 3.58Å; D217-R221 PolarHBondContact OD2-NH1 3.26Å; D217-R221 IonicContact OD2-NH2 2.76Å; D217-R221 PolarHBondContact OD2-NH2 2.88Å
218I56Low49.4Very low12 Ų1265.8 Ų65.86%0.06239%0.39CS..Hα-helixtrans-53.2-42.9174.5-95.9162.6000113.7F214 I215 I220 R221 I222 Y406 L409 W459F214-I218 HydrophobicContact CD1-CD1 3.66Å; F214-I218 HydrophobicContact CD1-CG1 4.2Å; F214-I218 HydrophobicContact CE1-CD1 3.48Å; F214-I218 VanDerWaalsContact CE1-CD1 3.48Å; F214-I218 HydrophobicContact CE1-CG1 3.98Å; F214-I218 HydrophobicContact CZ-CD1 4.31Å; F214-I218 HydrophobicContact CZ-CG1 4.37Å; F214-I218 WeakPolarHBondContact O-CA 3.18Å; F214-I218 WeakPolarHBondContact O-CB 3.34Å; F214-I218 VanDerWaalsContact O-CG1 3.26Å; F214-I218 WeakPolarHBondContact O-CG1 3.27Å; F214-I218 PolarHBondContact O-N 3.06Å; I215-I218 HydrophobicContact CG1-CD1 4.16Å; I215-I218 PolarHBondContact O-N 2.88Å; I218-I220 VanDerWaalsContact C-N 3.27Å; I218-I220 PolarHBondContact O-N 3.26Å; I218-R221 PolarHBondContact O-N 2.82Å; I218-I222 HydrophobicContact CG2-CD1 3.84Å; I218-I222 HydrophobicContact CG2-CG1 4.41Å; I218-I222 WeakPolarHBondContact O-CB 3.22Å; I218-I222 VanDerWaalsContact O-CG1 3.26Å; I218-I222 WeakPolarHBondContact O-CG1 3.35Å; I218-I222 PolarHBondContact O-N 3.03Å; I218-Y406 HydrophobicContact CD1-CE1 4.32Å; I218-Y406 HydrophobicContact CG2-CE1 4.27Å; I218-L409 HydrophobicContact CD1-CD1 4.09Å; I218-W459 HydrophobicContact CG2-CH2 4.34Å; I218-W459 HydrophobicContact CG2-CZ2 4.18Å
219P52.8Low48.7Very low42 Ų4267.7 Ų67.727%0.27341%0.413SS..Hα-helixtrans-61.3-36.7172.617.3-25.4000112.1I215 C216 Y223 W459I215-P219 WeakPolarHBondContact O-CD 3.06Å; C216-P219 WeakPolarHBondContact O-CD 3.34Å; C216-P219 WeakPolarHBondContact O-CG 3.17Å; P219-Y223 WeakPolarHBondContact O-CB 3.45Å; P219-Y223 WeakPolarHBondContact O-CD2 3.15Å; P219-Y223 PolarHBondContact O-N 3.05Å; P219-W459 HydrophobicContact CB-CH2 3.87Å; P219-W459 HydrophobicContact CB-CZ2 4.2Å; P219-W459 HydrophobicContact CG-CH2 4.06Å
220I55.4Low48.1Very low107 Ų10768.1 Ų68.155%0.54941%0.412SS..Hα-helixtrans-72.9-36.3177.7-57.9172.7000111.4D217 I218 Y223 A224D217-I220 CarbonylContact O-C 3.57Å; D217-I220 WeakPolarHBondContact O-CA 3.29Å; D217-I220 WeakPolarHBondContact O-CB 3.17Å; D217-I220 PolarHBondContact O-N 2.93Å; D217-I220 WeakPolarHBondContact OD1-CB 3.02Å; I218-I220 VanDerWaalsContact C-N 3.27Å; I218-I220 PolarHBondContact O-N 3.26Å; I220-Y223 CarbonylContact O-C 3.43Å; I220-Y223 VanDerWaalsContact O-CB 3.32Å; I220-Y223 WeakPolarHBondContact O-CB 3.26Å; I220-Y223 PolarHBondContact O-N 3.1Å; I220-A224 PolarHBondContact O-N 2.77Å
221R47.8Very low47.5Very low113 Ų11372.7 Ų72.743%0.42643%0.427SS..Hα-helixtrans-72.6-35.4173.6-65.6-168.7-155.1-54-10.4112D217 I218 A224 S225D217-R221 WeakPolarHBondContact O-CG 3.4Å; D217-R221 PolarHBondContact O-N 3.49Å; D217-R221 IonicContact OD2-CZ 3.33Å; D217-R221 IonicContact OD2-NE 3.87Å; D217-R221 IonicContact OD2-NH1 3.58Å; D217-R221 PolarHBondContact OD2-NH1 3.26Å; D217-R221 IonicContact OD2-NH2 2.76Å; D217-R221 PolarHBondContact OD2-NH2 2.88Å; I218-R221 PolarHBondContact O-N 2.82Å; R221-A224 CarbonylContact O-C 3.58Å; R221-A224 WeakPolarHBondContact O-CA 3.27Å; R221-A224 PolarHBondContact O-N 3.33Å; R221-S225 WeakPolarHBondContact O-CB 3.35Å; R221-S225 PolarHBondContact O-N 3.07Å
222I47.4Very low46.9Very low50 Ų5074 Ų7426%0.25644%0.437SS..Hα-helixtrans-62.6-48.1169.6-73169.9000108.4I218 A224 S225 S226 Y406 W459I218-I222 HydrophobicContact CG2-CD1 3.84Å; I218-I222 HydrophobicContact CG2-CG1 4.41Å; I218-I222 WeakPolarHBondContact O-CB 3.22Å; I218-I222 VanDerWaalsContact O-CG1 3.26Å; I218-I222 WeakPolarHBondContact O-CG1 3.35Å; I218-I222 PolarHBondContact O-N 3.03Å; I222-A224 PolarHBondContact O-N 2.94Å; I222-S225 PolarHBondContact O-N 2.87Å; I222-S226 PolarHBondContact O-N 3.44Å; I222-S226 PolarHBondContact O-OG 2.66Å; I222-Y406 HydrophobicContact CD1-CE2 4.45Å; I222-Y406 WeakPolarHBondContact CD1-OH 3.22Å; I222-W459 HydrophobicContact CD1-CZ2 3.9Å
223Y42.6Very low46.8Very low108 Ų10876.2 Ų76.242%0.42445%0.447SS..Hα-helixtrans-55.5-8.5169.5-92.9-59.6000115.6P219 I220 S226 E285 F286P219-Y223 WeakPolarHBondContact O-CB 3.45Å; P219-Y223 WeakPolarHBondContact O-CD2 3.15Å; P219-Y223 PolarHBondContact O-N 3.05Å; I220-Y223 CarbonylContact O-C 3.43Å; I220-Y223 VanDerWaalsContact O-CB 3.32Å; I220-Y223 WeakPolarHBondContact O-CB 3.26Å; I220-Y223 PolarHBondContact O-N 3.1Å; Y223-S226 CarbonylContact C-O 3.55Å; Y223-E285 HydrophobicContact CE1-CG 4.14Å; Y223-E285 WeakPolarHBondContact CE1-OE1 3.41Å; Y223-F286 HydrophobicContact CE2-CE1 4.27Å; Y223-F286 AromaticContact CZ-CE1 3.86Å; Y223-F286 VanDerWaalsContact OH-CE1 3.28Å; Y223-F286 WeakPolarHBondContact OH-CE1 3.37Å; Y223-F286 WeakPolarHBondContact OH-CZ 3.14Å
224A40.7Very low46.8Very low70 Ų7076.8 Ų76.858%0.57945%0.446SS*.Hα-helixtrans-119.4-10.6174.600000114.5I220 R221 I222 S226I220-A224 PolarHBondContact O-N 2.77Å; R221-A224 CarbonylContact O-C 3.58Å; R221-A224 WeakPolarHBondContact O-CA 3.27Å; R221-A224 PolarHBondContact O-N 3.33Å; I222-A224 PolarHBondContact O-N 2.94Å; A224-S226 CarbonylContact C-O 3.45Å
225S41Very low47.3Very low70 Ų7073 Ų7349%0.4943%0.431SS..Hα-helixtrans-107-40-178-162.50000111.2E132 R221 I222 G227E132-S225 PolarHBondContact OE1-OG 3.17Å; R221-S225 WeakPolarHBondContact O-CB 3.35Å; R221-S225 PolarHBondContact O-N 3.07Å; I222-S225 PolarHBondContact O-N 2.87Å; S225-G227 VanDerWaalsContact C-N 3.34Å; S225-G227 PolarHBondContact O-N 3.36Å; S225-G227 VanDerWaalsContact O-N 3.11Å
226S38.2Very low48.4Very low70 Ų7075.1 Ų75.149%0.4944%0.438SS..SBendtrans-64.3109.8139.567.60000105I222 Y223 A224I222-S226 PolarHBondContact O-N 3.44Å; I222-S226 PolarHBondContact O-OG 2.66Å; Y223-S226 CarbonylContact C-O 3.55Å; A224-S226 CarbonylContact C-O 3.45Å
227G36Very low49.8Very low40 Ų4071.2 Ų71.241%0.41241%0.411SS..  trans-57163.4-164.100000114S225 A229S225-G227 VanDerWaalsContact C-N 3.34Å; S225-G227 PolarHBondContact O-N 3.36Å; S225-G227 VanDerWaalsContact O-N 3.11Å; G227-A229 PolarHBondContact O-N 3.44Å
228P35.7Very low51.2Low116 Ų11668.9 Ų68.975%0.75340%0.399SS*.SBendtrans-52.6116.2-174.123.1-34.8000110.9P230P228-P230 WeakPolarHBondContact O-CA 3.27Å; P228-P230 VanDerWaalsContact O-N 3.07Å
229A37.9Very low52.8Low80 Ų8068.7 Ų68.766%0.66140%0.398SS*.SBendtrans-8.793-172.400000113.3G227 N231G227-A229 PolarHBondContact O-N 3.44Å; A229-N231 PolarHBondContact O-N 3.08Å
230P39.6Very low54.6Low53 Ų5366.9 Ų66.934%0.34439%0.386SS..  trans-59.8124.2-156.418.9-31.9000111.3P228 T232 E234P228-P230 WeakPolarHBondContact O-CA 3.27Å; P228-P230 VanDerWaalsContact O-N 3.07Å; P230-T232 VanDerWaalsContact O-CA 3.26Å; P230-T232 WeakPolarHBondContact O-CA 3.43Å; P230-T232 PolarHBondContact O-N 3.03Å; P230-E234 HydrophobicContact CB-CB 4.34Å; P230-E234 HydrophobicContact CB-CG 3.88Å; P230-E234 WeakPolarHBondContact CB-OE1 3.43Å
231N36.9Very low56.1Low138 Ų13861.8 Ų61.874%0.73836%0.36SS*.  trans-31.6110179.1-72.6-29.5000110A229 N233A229-N231 PolarHBondContact O-N 3.08Å; N231-N233 WeakPolarHBondContact O-CA 3.32Å; N231-N233 WeakPolarHBondContact O-CB 3.06Å; N231-N233 PolarHBondContact O-N 3.39Å
232T42.4Very low57.9Low88 Ų8858.3 Ų58.354%0.5435%0.35SS..THydrogen-bonded Turntrans-54.431.4-140.149.40000119.9R69 P230R69-T232 WeakPolarHBondContact CD-O 3.28Å; R69-T232 PolarHBondContact NE-O 3.13Å; P230-T232 VanDerWaalsContact O-CA 3.26Å; P230-T232 WeakPolarHBondContact O-CA 3.43Å; P230-T232 PolarHBondContact O-N 3.03Å
233N50.7Low59.6Low98 Ų9860.9 Ų60.952%0.52436%0.361SS..THydrogen-bonded Turntrans-134.3-10.6-155.9-60.1-35.6000111.9T88 N231 S235T88-N233 HydrophobicContact CG2-CB 4.1Å; T88-N233 WeakPolarHBondContact CG2-O 3.5Å; N231-N233 WeakPolarHBondContact O-CA 3.32Å; N231-N233 WeakPolarHBondContact O-CB 3.06Å; N231-N233 PolarHBondContact O-N 3.39Å; N233-S235 PolarHBondContact O-N 3.31Å
234E56.3Low61.6Low124 Ų12459.9 Ų59.958%0.57936%0.357SS*.  trans-54.6109172.1-83.9-169.4-169.300109.8P230P230-E234 HydrophobicContact CB-CB 4.34Å; P230-E234 HydrophobicContact CB-CG 3.88Å; P230-E234 WeakPolarHBondContact CB-OE1 3.43Å
235S65.1Low63.7Low6 Ų658.8 Ų58.84%0.04235%0.352CS..  trans-96.7116-170.359.80000110.5K83 N233 I237 M314K83-S235 WeakPolarHBondContact CE-OG 3.43Å; K83-S235 PolarHBondContact NZ-OG 3.49Å; N233-S235 PolarHBondContact O-N 3.31Å; S235-I237 PolarHBondContact O-N 3.48Å; S235-M314 WeakPolarHBondContact O-CG 3.49Å; S235-M314 WeakPolarHBondContact OG-CE 3.45Å
236Y79.2Confident65.9Low62 Ų6256.3 Ų56.324%0.24333%0.333CS..  trans-67.2103.3170.6-58.8-92.6000108.6E66 V67 Y289E66-Y236 WeakPolarHBondContact CA-O 3.21Å; V67-Y236 PolarHBondContact N-O 3.48Å; Y236-Y289 AromaticContact CD2-CD2 3.66Å; Y236-Y289 HydrophobicContact CD2-CD2 3.66Å; Y236-Y289 HydrophobicContact CD2-CG 4.41Å; Y236-Y289 AromaticContact CE2-CD2 3.61Å; Y236-Y289 HydrophobicContact CE2-CD2 3.61Å; Y236-Y289 HydrophobicContact CE2-CE2 4.31Å; Y236-Y289 HydrophobicContact CG-CD2 4.4Å
237I86.7Confident68.1Low0 Ų053.4 Ų53.40%031%0.312CS..EExtended strand (participates in β ladder)trans-107.8117.6177.7-59.8178.8000107.8R64 E66 S235 V313 M314R64-I237 HydrophobicContact CG-CG2 4.21Å; E66-I237 HydrophobicContact CB-CG1 4.46Å; E66-I237 HydrophobicContact CG-CB 4.3Å; E66-I237 HydrophobicContact CG-CG1 3.89Å; E66-I237 HydrophobicContact CG-CG2 4.05Å; E66-I237 WeakPolarHBondContact OE1-CD1 3.44Å; E66-I237 WeakPolarHBondContact OE1-CG2 3.44Å; S235-I237 PolarHBondContact O-N 3.48Å; I237-V313 HydrophobicContact CB-CB 4.05Å; I237-V313 HydrophobicContact CG2-CB 3.66Å; I237-V313 HydrophobicContact CG2-CG1 4.2Å; I237-V313 HydrophobicContact CG2-CG2 3.76Å; I237-V313 PolarHBondContact O-N 2.99Å; I237-M314 HydrophobicContact CD1-CE 3.72Å; I237-M314 HydrophobicContact CD1-SD 4.5Å; I237-M314 HydrophobicContact CG1-CE 4.27Å
238I87.7Confident70.4Confident0 Ų059.8 Ų59.80%032%0.323CS..EExtended strand (participates in β ladder)trans-125.9127.6-178.1-62.4-163.5000110.3I65 E290 L293 I294 V310 V311I65-I238 PolarHBondContact N-O 3.19Å; I65-I238 PolarHBondContact O-N 2.91Å; I238-E290 HydrophobicContact CD1-CB 4.4Å; I238-E290 HydrophobicContact CD1-CG 4.05Å; I238-L293 HydrophobicContact CD1-CB 3.78Å; I238-L293 HydrophobicContact CD1-CD1 3.76Å; I238-L293 HydrophobicContact CD1-CG 4.45Å; I238-L293 HydrophobicContact CG1-CD1 4.14Å; I238-I294 HydrophobicContact CD1-CG1 4.26Å; I238-V310 HydrophobicContact CG2-CG1 3.29Å; I238-V311 CarbonylContact C-O 3.52Å; I238-V311 WeakPolarHBondContact CA-O 3.29Å
239E89.8Confident72.7Confident7 Ų756.3 Ų56.33%0.03330%0.298CS..EExtended strand (participates in β ladder)trans-110.1132.1176.5-74-171.2161.700112.2V62 L63 R64 L247 R254 V310 V311 V313V62-E239 HydrophobicContact CG1-CB 3.89Å; V62-E239 HydrophobicContact CG1-CG 3.99Å; L63-E239 CarbonylContact O-C 3.59Å; L63-E239 VanDerWaalsContact O-CA 3.31Å; L63-E239 WeakPolarHBondContact O-CA 3.32Å; R64-E239 HydrophobicContact CB-CG 3.98Å; R64-E239 WeakPolarHBondContact CD-OE1 3.47Å; R64-E239 HydrophobicContact CG-CG 3.81Å; R64-E239 IonicContact CZ-OE1 2.68Å; R64-E239 IonicContact NE-OE1 2.73Å; R64-E239 IonicContact NH1-OE1 3.72Å; R64-E239 PolarHBondContact NH1-OE1 2.98Å; E239-L247 HydrophobicContact CB-CD2 3.71Å; E239-R254 IonicContact OE1-CZ 2.68Å; E239-R254 IonicContact OE1-NH1 2.67Å; E239-R254 PolarHBondContact OE1-NH1 2.72Å; E239-R254 IonicContact OE1-NH2 2.88Å; E239-R254 IonicContact OE2-CZ 2.87Å; E239-R254 VanDerWaalsContact OE2-CZ 3.24Å; E239-R254 IonicContact OE2-NH1 3.48Å; E239-R254 PolarHBondContact OE2-NH1 3.18Å; E239-R254 IonicContact OE2-NH2 2.74Å; E239-R254 PolarHBondContact OE2-NH2 3.07Å; E239-V310 CarbonylContact O-C 3.42Å; E239-V310 VanDerWaalsContact O-CA 3.25Å; E239-V310 WeakPolarHBondContact O-CA 3.43Å; E239-V311 PolarHBondContact N-O 3.03Å; E239-V311 PolarHBondContact O-N 2.98Å; E239-V313 HydrophobicContact CB-CG2 4.19Å; E239-V313 HydrophobicContact CG-CG2 3.71Å
240Y88.6Confident74.9Confident4 Ų454.8 Ų54.82%0.01628%0.283CS..EExtended strand (participates in β ladder)trans-116.1137.9174.3168.4-102.8000111.2F22 V62 L63 V297 S301 Y309 V310 L321F22-Y240 HydrophobicContact CE1-CE1 4.33Å; F22-Y240 HydrophobicContact CZ-CE1 4.36Å; V62-Y240 CarbonylContact C-O 3.38Å; V62-Y240 WeakPolarHBondContact CA-O 3.35Å; L63-Y240 HydrophobicContact CB-CD1 4.15Å; L63-Y240 HydrophobicContact CD2-CD1 4.23Å; L63-Y240 PolarHBondContact N-O 3.2Å; L63-Y240 PolarHBondContact O-N 2.95Å; Y240-V297 HydrophobicContact CD1-CG1 4.17Å; Y240-V297 HydrophobicContact CD2-CG1 3.38Å; Y240-V297 HydrophobicContact CE2-CG1 3.91Å; Y240-V297 HydrophobicContact CG-CG1 3.51Å; Y240-S301 WeakPolarHBondContact OH-CB 3.43Å; Y240-Y309 WeakPolarHBondContact CA-O 2.94Å; Y240-Y309 WeakPolarHBondContact CD2-O 3.07Å; Y240-V310 HydrophobicContact CD2-CG2 3.73Å; Y240-V310 HydrophobicContact CG-CG2 4.4Å; Y240-L321 HydrophobicContact CD2-CD2 4.24Å; Y240-L321 HydrophobicContact CE2-CD2 4.15Å
241A87.8Confident77Confident1 Ų153.1 Ų53.11%0.00827%0.272CS..EExtended strand (participates in β ladder)trans-146.4159167.800000111.4V62 L246 L247 Y309V62-A241 HydrophobicContact CG2-CB 4.37Å; A241-L246 HydrophobicContact CB-CB 4.15Å; A241-L246 HydrophobicContact CB-CD1 4.35Å; A241-L247 HydrophobicContact CB-CD1 3.92Å; A241-L247 HydrophobicContact CB-CD2 3.92Å; A241-L247 HydrophobicContact CB-CG 3.7Å; A241-Y309 PolarHBondContact N-O 3.33Å; A241-Y309 PolarHBondContact O-N 2.61Å
242L85.1Confident79.2Confident40 Ų4056.9 Ų56.921%0.20928%0.276CS..SBendtrans-68.4-42.1173-169.171.5000111.4L306 K307L242-L306 HydrophobicContact CD1-CB 3.87Å; L242-L306 HydrophobicContact CD1-CD1 4.22Å; L242-L306 HydrophobicContact CD1-CD2 3.94Å; L242-L306 HydrophobicContact CD1-CG 4.22Å; L242-K307 VanDerWaalsContact CD1-O 3.32Å; L242-K307 WeakPolarHBondContact CD1-O 3.2Å
243E84.6Confident81.2Confident104 Ų10453.9 Ų53.949%0.48626%0.26SS..SBendtrans-105.7130-179.7-66.3-170.5179.800112.5G245 L246E243-G245 PolarHBondContact O-N 3Å; E243-G245 VanDerWaalsContact O-N 3.14Å; E243-L246 HydrophobicContact CB-CD1 4.31Å; E243-L246 HydrophobicContact CB-CG 4.23Å; E243-L246 PolarHBondContact O-N 2.96Å; E243-L246 VanDerWaalsContact O-N 3.16Å
244Y84.6Confident82.9Confident87 Ų8749.5 Ų49.534%0.34124%0.236SC..Hα-helixtrans-57.4-28.2175.7-172.3-119.4000113.6L246 L247 R248 Y309 H318Y244-L246 PolarHBondContact O-N 3.04Å; Y244-L247 PolarHBondContact O-N 2.94Å; Y244-R248 HydrophobicContact CE1-CG 4.32Å; Y244-R248 PolarHBondContact O-N 2.71Å; Y244-Y309 AromaticContact CD2-CD1 3.72Å; Y244-Y309 HydrophobicContact CD2-CD1 3.72Å; Y244-Y309 HydrophobicContact CD2-CE1 4.23Å; Y244-Y309 HydrophobicContact CD2-CG 4.03Å; Y244-Y309 HydrophobicContact CG-CD1 4.22Å; Y244-Y309 HydrophobicContact CG-CE1 4.35Å; Y244-Y309 HydrophobicContact CG-CG 4.47Å; Y244-H318 HydrophobicContact CE2-CB 4.26Å; Y244-H318 AromaticContact CE2-CG 3.96Å; Y244-H318 AromaticContact CE2-ND1 3.73Å
245G84.8Confident84.2Confident46 Ų4649.9 Ų49.947%0.47424%0.242SC..Hα-helixtrans-62.4-38.5177.700000113.4E243 L247 R248 L249E243-G245 PolarHBondContact O-N 3Å; E243-G245 VanDerWaalsContact O-N 3.14Å; G245-L247 VanDerWaalsContact C-N 3.31Å; G245-L247 PolarHBondContact O-N 3.03Å; G245-R248 PolarHBondContact O-N 3.33Å; G245-L249 PolarHBondContact O-N 3Å
246L85.4Confident85.3Confident19 Ų1960.3 Ų60.310%0.09928%0.281CS..Hα-helixtrans-65.1-36.6-177.6-63175.4000112.1V62 A241 E243 Y244 L249 R254 V259V62-L246 HydrophobicContact CG2-CB 4.18Å; A241-L246 HydrophobicContact CB-CB 4.15Å; A241-L246 HydrophobicContact CB-CD1 4.35Å; E243-L246 HydrophobicContact CB-CD1 4.31Å; E243-L246 HydrophobicContact CB-CG 4.23Å; E243-L246 PolarHBondContact O-N 2.96Å; E243-L246 VanDerWaalsContact O-N 3.16Å; Y244-L246 PolarHBondContact O-N 3.04Å; L246-L249 HydrophobicContact CD2-CD1 4.27Å; L246-L249 WeakPolarHBondContact O-CB 3.38Å; L246-L249 PolarHBondContact O-N 2.85Å; L246-R254 PolarHBondContact O-NE 3.14Å; L246-V259 HydrophobicContact CD2-CG1 4.03Å; L246-V259 HydrophobicContact CD2-CG2 3.94Å
247L85.5Confident85.7Confident8 Ų862.7 Ų62.74%0.04230%0.297CS..Hα-helixtrans-69.2-37.8-179.9-64.3157.2000111.1V62 E239 A241 Y244 G245 L249 R254 V311V62-L247 HydrophobicContact CG1-CD2 4.13Å; E239-L247 HydrophobicContact CB-CD2 3.71Å; A241-L247 HydrophobicContact CB-CD1 3.92Å; A241-L247 HydrophobicContact CB-CD2 3.92Å; A241-L247 HydrophobicContact CB-CG 3.7Å; Y244-L247 PolarHBondContact O-N 2.94Å; G245-L247 VanDerWaalsContact C-N 3.31Å; G245-L247 PolarHBondContact O-N 3.03Å; L247-L249 VanDerWaalsContact C-N 3.25Å; L247-L249 PolarHBondContact O-N 3.48Å; L247-R254 PolarHBondContact O-NH2 3.24Å; L247-V311 HydrophobicContact CB-CG2 3.93Å; L247-V311 HydrophobicContact CD1-CG2 3.81Å; L247-V311 HydrophobicContact CD2-CG2 3.99Å; L247-V311 HydrophobicContact CG-CG2 4.09Å
248R83.9Confident85.6Confident174 Ų17469.5 Ų69.566%0.65733%0.333SS*.THydrogen-bonded Turntrans-72.7-9.8176.6-64.3-170.371.3-174.24.7114.7Y244 G245Y244-R248 HydrophobicContact CE1-CG 4.32Å; Y244-R248 PolarHBondContact O-N 2.71Å; G245-R248 PolarHBondContact O-N 3.33Å
249L84.3Confident85.5Confident43 Ų4370.5 Ų70.523%0.22534%0.34CS..SBendtrans-75126.5173.8-66.7172.4000109.9G245 L246 L247 A253 R254 L257 V259G245-L249 PolarHBondContact O-N 3Å; L246-L249 HydrophobicContact CD2-CD1 4.27Å; L246-L249 WeakPolarHBondContact O-CB 3.38Å; L246-L249 PolarHBondContact O-N 2.85Å; L247-L249 VanDerWaalsContact C-N 3.25Å; L247-L249 PolarHBondContact O-N 3.48Å; L249-A253 HydrophobicContact CB-CB 4.23Å; L249-A253 HydrophobicContact CD2-CB 4.06Å; L249-R254 HydrophobicContact CB-CG 3.63Å; L249-R254 HydrophobicContact CD1-CG 4.39Å; L249-R254 PolarHBondContact O-NE 3.45Å; L249-R254 PolarHBondContact O-NH2 3.5Å; L249-L257 HydrophobicContact CD1-CD1 3.73Å; L249-L257 HydrophobicContact CD2-CD1 3.83Å; L249-L257 HydrophobicContact CG-CD1 4.45Å; L249-V259 HydrophobicContact CD1-CG2 4.09Å
250S83.8Confident85.3Confident48 Ų4873.5 Ų73.534%0.33636%0.358SS..  trans-63.3158170.467.60000111.4R252 A253 R254S250-R252 PolarHBondContact O-N 2.8Å; S250-R252 VanDerWaalsContact O-N 3.13Å; S250-A253 CarbonylContact O-C 3.49Å; S250-A253 WeakPolarHBondContact O-CA 3.39Å; S250-A253 WeakPolarHBondContact O-CB 3.49Å; S250-A253 PolarHBondContact O-N 2.85Å; S250-R254 PolarHBondContact O-N 3.16Å
251P83Confident85.2Confident19 Ų1974.8 Ų74.812%0.12337%0.367CS..Hα-helixtrans-55.3-37.8-176.1-30.538.7000113.8Y81 F85 A253 R254 N255Y81-P251 HydrophobicContact CD1-CB 3.87Å; Y81-P251 HydrophobicContact CD1-CG 3.39Å; Y81-P251 HydrophobicContact CD2-CB 3.94Å; Y81-P251 HydrophobicContact CD2-CG 4.38Å; Y81-P251 HydrophobicContact CE1-CB 3.78Å; Y81-P251 HydrophobicContact CE1-CG 3.38Å; Y81-P251 HydrophobicContact CE2-CB 3.82Å; Y81-P251 HydrophobicContact CE2-CG 4.36Å; Y81-P251 HydrophobicContact CG-CB 3.97Å; Y81-P251 HydrophobicContact CG-CG 3.93Å; F85-P251 HydrophobicContact CE2-CG 4.14Å; F85-P251 HydrophobicContact CZ-CG 4.28Å; P251-A253 VanDerWaalsContact C-N 3.34Å; P251-A253 PolarHBondContact O-N 3.34Å; P251-R254 PolarHBondContact O-N 3.37Å; P251-N255 PolarHBondContact O-N 2.91Å; P251-N255 VanDerWaalsContact O-N 3.08Å
252R83.4Confident85.1Confident216 Ų21677.6 Ų77.682%0.81538%0.379SS*.Hα-helixtrans-65-34.2174-62.8-179.4-176.1166.12.2112.7S250 R256S250-R252 PolarHBondContact O-N 2.8Å; S250-R252 VanDerWaalsContact O-N 3.13Å; R252-R256 WeakPolarHBondContact O-CB 3.32Å; R252-R256 VanDerWaalsContact O-CG 3.3Å; R252-R256 WeakPolarHBondContact O-CG 3.3Å; R252-R256 PolarHBondContact O-N 2.87Å; R252-R256 VanDerWaalsContact O-N 3.17Å
253A84.8Confident85.3Confident25 Ų2577.5 Ų77.521%0.20738%0.378CS..Hα-helixtrans-76.3-38.6176.300000112.1L249 S250 P251 R256 L257L249-A253 HydrophobicContact CB-CB 4.23Å; L249-A253 HydrophobicContact CD2-CB 4.06Å; S250-A253 CarbonylContact O-C 3.49Å; S250-A253 WeakPolarHBondContact O-CA 3.39Å; S250-A253 WeakPolarHBondContact O-CB 3.49Å; S250-A253 PolarHBondContact O-N 2.85Å; P251-A253 VanDerWaalsContact C-N 3.34Å; P251-A253 PolarHBondContact O-N 3.34Å; A253-R256 PolarHBondContact O-N 3.22Å; A253-L257 WeakPolarHBondContact O-CB 3.23Å; A253-L257 WeakPolarHBondContact O-CG 3.5Å; A253-L257 PolarHBondContact O-N 3.03Å
254R87Confident85.4Confident7 Ų773.3 Ų73.33%0.02636%0.359CS..Hα-helixtrans-57.7-48.8173-65.9179.9-168.8177.7-0.3111.4Y81 E239 L246 L247 L249 S250 P251 L257 N258 V259Y81-R254 PolarHBondContact OH-NH1 2.86Å; E239-R254 IonicContact OE1-CZ 2.68Å; E239-R254 IonicContact OE1-NH1 2.67Å; E239-R254 PolarHBondContact OE1-NH1 2.72Å; E239-R254 IonicContact OE1-NH2 2.88Å; E239-R254 IonicContact OE2-CZ 2.87Å; E239-R254 VanDerWaalsContact OE2-CZ 3.24Å; E239-R254 IonicContact OE2-NH1 3.48Å; E239-R254 PolarHBondContact OE2-NH1 3.18Å; E239-R254 IonicContact OE2-NH2 2.74Å; E239-R254 PolarHBondContact OE2-NH2 3.07Å; L246-R254 PolarHBondContact O-NE 3.14Å; L247-R254 PolarHBondContact O-NH2 3.24Å; L249-R254 HydrophobicContact CB-CG 3.63Å; L249-R254 HydrophobicContact CD1-CG 4.39Å; L249-R254 PolarHBondContact O-NE 3.45Å; L249-R254 PolarHBondContact O-NH2 3.5Å; S250-R254 PolarHBondContact O-N 3.16Å; P251-R254 PolarHBondContact O-N 3.37Å; R254-L257 CarbonylContact O-C 3.46Å; R254-L257 PolarHBondContact O-N 3.11Å; R254-N258 PolarHBondContact O-N 2.88Å; R254-V259 HydrophobicContact CB-CB 4.11Å; R254-V259 PolarHBondContact O-N 2.78Å
255N84.1Confident85.5Confident132 Ų13271.3 Ų71.371%0.70636%0.355SS*.Hα-helixtrans-61.2-47.7176.3-168.6-18.2000111.6P251 L257 N258P251-N255 PolarHBondContact O-N 2.91Å; P251-N255 VanDerWaalsContact O-N 3.08Å; N255-L257 PolarHBondContact O-N 2.98Å; N255-L257 VanDerWaalsContact O-N 3.15Å; N255-N258 PolarHBondContact O-N 2.97Å
256R87.3Confident85.5Confident225 Ų22569.3 Ų69.385%0.84933%0.334SS*.Hα-helixtrans-60-24.1175.3-79.2-179.464.6-162.4-2.1115.1R252 A253R252-R256 WeakPolarHBondContact O-CB 3.32Å; R252-R256 VanDerWaalsContact O-CG 3.3Å; R252-R256 WeakPolarHBondContact O-CG 3.3Å; R252-R256 PolarHBondContact O-N 2.87Å; R252-R256 VanDerWaalsContact O-N 3.17Å; A253-R256 PolarHBondContact O-N 3.22Å
257L87.3Confident85.4Confident112 Ų11268.7 Ų68.759%0.58633%0.331SS*.THydrogen-bonded Turntrans-101.25.9177.5-68.8170.3000112.6L249 A253 R254 N255 V259L249-L257 HydrophobicContact CD1-CD1 3.73Å; L249-L257 HydrophobicContact CD2-CD1 3.83Å; L249-L257 HydrophobicContact CG-CD1 4.45Å; A253-L257 WeakPolarHBondContact O-CB 3.23Å; A253-L257 WeakPolarHBondContact O-CG 3.5Å; A253-L257 PolarHBondContact O-N 3.03Å; R254-L257 CarbonylContact O-C 3.46Å; R254-L257 PolarHBondContact O-N 3.11Å; N255-L257 PolarHBondContact O-N 2.98Å; N255-L257 VanDerWaalsContact O-N 3.15Å; L257-V259 HydrophobicContact CB-CG2 3.94Å; L257-V259 PolarHBondContact O-N 3.28Å
258N85.2Confident85.2Confident142 Ų14268.6 Ų68.676%0.75933%0.331SS*.THydrogen-bonded Turntrans52.734.5-176.4-160.330.3000113.6R254 N255 T260R254-N258 PolarHBondContact O-N 2.88Å; N255-N258 PolarHBondContact O-N 2.97Å; N258-T260 PolarHBondContact O-N 2.82Å
259V84.6Confident84.9Confident22 Ų2265.5 Ų65.513%0.13332%0.323CS..  trans-73.6116.8177176.30000108.7V62 L246 L249 R254 L257 V261V62-V259 HydrophobicContact CG2-CG1 4.3Å; L246-V259 HydrophobicContact CD2-CG1 4.03Å; L246-V259 HydrophobicContact CD2-CG2 3.94Å; L249-V259 HydrophobicContact CD1-CG2 4.09Å; R254-V259 HydrophobicContact CB-CB 4.11Å; R254-V259 PolarHBondContact O-N 2.78Å; L257-V259 HydrophobicContact CB-CG2 3.94Å; L257-V259 PolarHBondContact O-N 3.28Å; V259-V261 PolarHBondContact O-N 2.96Å
260T86.7Confident84.7Confident69 Ų6968.5 Ų68.542%0.42334%0.344SS..EExtended strand (participates in β ladder)trans-65.2129.8178.758.10000111Y60 G61 V62 N258Y60-T260 PolarHBondContact O-OG1 3.34Å; G61-T260 CarbonylContact C-O 3.48Å; G61-T260 WeakPolarHBondContact CA-O 3.45Å; G61-T260 WeakPolarHBondContact CA-OG1 3.46Å; V62-T260 PolarHBondContact N-O 2.86Å; N258-T260 PolarHBondContact O-N 2.82Å
261V86.3Confident84.4Confident32 Ų3268.5 Ų68.519%0.19434%0.34CS..EExtended strand (participates in β ladder)trans-120.8123172.8-175.20000108.7V62 R64 L77 V259V62-V261 HydrophobicContact CB-CG1 4.28Å; V62-V261 HydrophobicContact CB-CG2 4.16Å; V62-V261 WeakPolarHBondContact O-CA 3.08Å; R64-V261 HydrophobicContact CB-CG1 4.18Å; L77-V261 HydrophobicContact CD1-CB 4.39Å; L77-V261 HydrophobicContact CD1-CG1 3.76Å; L77-V261 HydrophobicContact CD2-CB 3.96Å; L77-V261 HydrophobicContact CD2-CG1 4.25Å; V259-V261 PolarHBondContact O-N 2.96Å
262K86.7Confident84.1Confident60 Ų6072.1 Ų72.126%0.26136%0.364SS..EExtended strand (participates in β ladder)trans-102.8112.4174.1-178.6165.1179.1171.90109E21 W57 V62 R64 I264E21-K262 IonicContact OE1-NZ 2.65Å; E21-K262 PolarHBondContact OE1-NZ 3.47Å; E21-K262 IonicContact OE2-NZ 3.67Å; E21-K262 PolarHBondContact OE2-NZ 2.79Å; W57-K262 HydrophobicContact CH2-CD 3.82Å; W57-K262 HydrophobicContact CZ2-CB 3.68Å; W57-K262 HydrophobicContact CZ2-CD 3.82Å; W57-K262 HydrophobicContact CZ2-CG 4.16Å; W57-K262 HydrophobicContact CZ3-CD 4.26Å; V62-K262 PolarHBondContact O-N 3.32Å; R64-K262 PolarHBondContact N-O 3.37Å; K262-I264 HydrophobicContact CG-CG1 4.34Å
263L87.9Confident83.9Confident38 Ų3862.5 Ų62.520%0.19933%0.329CS..EExtended strand (participates in β ladder)trans-80.7139.7171.3-178.665.1000110.1R64 E66 Y75 L77 V265R64-L263 HydrophobicContact CB-CD1 4.3Å; R64-L263 HydrophobicContact CG-CD1 4.09Å; R64-L263 CarbonylContact O-C 3.46Å; R64-L263 WeakPolarHBondContact O-CA 3.17Å; E66-L263 HydrophobicContact CG-CD1 3.88Å; Y75-L263 HydrophobicContact CD1-CD2 4.11Å; Y75-L263 HydrophobicContact CE1-CD2 4.27Å; L77-L263 HydrophobicContact CD1-CB 4.28Å; L263-V265 HydrophobicContact CD2-CG2 4.3Å; L263-V265 HydrophobicContact CG-CG2 4.31Å
264I86.6Confident83.5Confident16 Ų1661.3 Ų61.38%0.08232%0.32CS..EExtended strand (participates in β ladder)trans-136.4116.9170.7-58.4-174.1000108.4L15 L18 L63 R64 I65 E66 K262 L266L15-I264 HydrophobicContact CD2-CD1 4.38Å; L18-I264 HydrophobicContact CD1-CD1 3.29Å; L18-I264 HydrophobicContact CD2-CD1 3.64Å; L18-I264 HydrophobicContact CG-CD1 3.94Å; L63-I264 HydrophobicContact CD1-CD1 3.59Å; L63-I264 HydrophobicContact CD1-CG1 3.97Å; R64-I264 PolarHBondContact O-N 2.88Å; I65-I264 WeakPolarHBondContact CA-O 3.39Å; E66-I264 PolarHBondContact N-O 3.28Å; K262-I264 HydrophobicContact CG-CG1 4.34Å; I264-L266 HydrophobicContact CG2-CD2 4.14Å; I264-L266 HydrophobicContact CG2-CG 4.32Å
265V86.9Confident82.9Confident44 Ų4462.7 Ų62.727%0.26734%0.336SS..EExtended strand (participates in β ladder)trans-94.2130.1174.8-174.10000109.2E66 I68 P71 Y75 L263E66-V265 CarbonylContact O-C 3.53Å; E66-V265 WeakPolarHBondContact O-CA 3.39Å; I68-V265 HydrophobicContact CB-CG1 3.79Å; I68-V265 HydrophobicContact CD1-CG1 3.9Å; I68-V265 HydrophobicContact CD1-CG2 4.43Å; I68-V265 HydrophobicContact CG1-CG1 3.94Å; P71-V265 HydrophobicContact CB-CG1 3.82Å; P71-V265 HydrophobicContact CG-CG1 3.94Å; Y75-V265 HydrophobicContact CD1-CG2 3.73Å; Y75-V265 HydrophobicContact CE1-CG2 4.23Å; L263-V265 HydrophobicContact CD2-CG2 4.3Å; L263-V265 HydrophobicContact CG-CG2 4.31Å
266L85.6Confident82.6Confident5 Ų559.8 Ų59.83%0.02633%0.326CS..EExtended strand (participates in β ladder)trans-117118.1177-63.7176.1000109.3C14 I65 E66 V67 I68 I264 F274 L293C14-L266 HydrophobicContact CB-CD1 3.66Å; C14-L266 HydrophobicContact CB-CD2 4.02Å; I65-L266 HydrophobicContact CG2-CD1 3.68Å; I65-L266 HydrophobicContact CG2-CG 4.23Å; E66-L266 PolarHBondContact O-N 2.99Å; V67-L266 VanDerWaalsContact CA-O 3.31Å; V67-L266 WeakPolarHBondContact CA-O 3.48Å; I68-L266 PolarHBondContact N-O 3.37Å; I68-L266 VanDerWaalsContact N-O 3.1Å; I264-L266 HydrophobicContact CG2-CD2 4.14Å; I264-L266 HydrophobicContact CG2-CG 4.32Å; L266-F274 HydrophobicContact CB-CE2 4.1Å; L266-F274 HydrophobicContact CB-CZ 3.92Å; L266-L293 HydrophobicContact CD1-CD2 3.77Å
267D83.2Confident82.2Confident5 Ų558 Ų583%0.02732%0.324CS..  trans-94.1120.5176.316739.3000110.6I68 R69 S70 P71 E269 T270 N271I68-D267 VanDerWaalsContact O-CA 3.3Å; I68-D267 WeakPolarHBondContact O-CA 3.35Å; I68-D267 WeakPolarHBondContact O-CB 3.23Å; R69-D267 WeakPolarHBondContact CA-OD1 3.26Å; S70-D267 PolarHBondContact N-OD1 2.88Å; S70-D267 VanDerWaalsContact N-OD1 3.15Å; P71-D267 HydrophobicContact CG-CB 4.48Å; D267-E269 PolarHBondContact O-N 3.17Å; D267-E269 PolarHBondContact OD1-N 3.27Å; D267-T270 WeakPolarHBondContact OD2-CB 3.29Å; D267-T270 WeakPolarHBondContact OD2-CG2 3.46Å; D267-T270 PolarHBondContact OD2-N 2.9Å; D267-T270 PolarHBondContact OD2-OG1 3.14Å; D267-N271 PolarHBondContact N-ND2 3.45Å; D267-N271 VanDerWaalsContact O-CB 3.28Å; D267-N271 WeakPolarHBondContact O-CB 3.23Å; D267-N271 PolarHBondContact O-N 3.37Å; D267-N271 VanDerWaalsContact O-N 3.07Å; D267-N271 PolarHBondContact O-ND2 2.79Å
268P80.2Confident81.7Confident6 Ų658.3 Ų58.34%0.03933%0.326CS..THydrogen-bonded Turntrans-64.6-22.3-177.127-35000113.5V67 R69 F274 R280 Y289V67-P268 HydrophobicContact CG1-CG 4.26Å; R69-P268 HydrophobicContact CG-CG 4.09Å; P268-F274 HydrophobicContact CB-CD2 4.39Å; P268-F274 HydrophobicContact CB-CE2 4.46Å; P268-F274 HydrophobicContact CB-CG 4.44Å; P268-R280 PolarHBondContact O-NE 3.25Å; P268-R280 PolarHBondContact O-NH1 2.77Å; P268-R280 PolarHBondContact O-NH2 2.69Å; P268-Y289 HydrophobicContact CB-CE1 4.15Å
269E78.5Confident81Confident109 Ų10952 Ų5251%0.50929%0.293SS..THydrogen-bonded Turntrans-87.3-44.3-177.5-68.2-172.9-146.200113.2D267 R280D267-E269 PolarHBondContact O-N 3.17Å; D267-E269 PolarHBondContact OD1-N 3.27Å; E269-R280 PolarHBondContact O-NH1 3.01Å; E269-R280 PolarHBondContact O-NH2 2.82Å
270T78.9Confident80.7Confident106 Ų10653.7 Ų53.765%0.6530%0.297SS*.THydrogen-bonded Turntrans-82.7-33.317856.90000113.9D267D267-T270 WeakPolarHBondContact OD2-CB 3.29Å; D267-T270 WeakPolarHBondContact OD2-CG2 3.46Å; D267-T270 PolarHBondContact OD2-N 2.9Å; D267-T270 PolarHBondContact OD2-OG1 3.14Å
271N78.9Confident80.2Confident48 Ų4855.3 Ų55.326%0.25730%0.298SS..  trans-78.7132.9-169.7-74-87.7000113D267 C273 F274 R280D267-N271 PolarHBondContact N-ND2 3.45Å; D267-N271 VanDerWaalsContact O-CB 3.28Å; D267-N271 WeakPolarHBondContact O-CB 3.23Å; D267-N271 PolarHBondContact O-N 3.37Å; D267-N271 VanDerWaalsContact O-N 3.07Å; D267-N271 PolarHBondContact O-ND2 2.79Å; N271-C273 VanDerWaalsContact C-N 3.28Å; N271-C273 PolarHBondContact O-N 3.33Å; N271-F274 HydrophobicContact CB-CD2 3.9Å; N271-F274 HydrophobicContact CB-CE2 3.95Å; N271-R280 PolarHBondContact O-NH2 2.91Å
272P76.3Confident79.4Confident96 Ų9656 Ų5662%0.62330%0.3SS*.G310 helixtrans-73.5-16.8-178.829.8-35.7000113.4F274 G275P272-F274 VanDerWaalsContact C-N 3.27Å; P272-F274 PolarHBondContact O-N 2.95Å; P272-G275 WeakPolarHBondContact O-CA 3.28Å; P272-G275 PolarHBondContact O-N 3.02Å
273C78.5Confident78.8Confident14 Ų1453.1 Ų53.110%0.09529%0.288CS..G310 helixtrans-68.7-21.7-177.367.10000114.1V12 C14 N271 G275V12-C273 HydrophobicContact CB-CB 4.31Å; V12-C273 HydrophobicContact CG1-CB 3.7Å; C14-C273 VanDerWaalsContact CA-SG 3.55Å; C14-C273 HydrophobicContact CB-CB 3.79Å; C14-C273 WeakPolarHBondContact CB-SG 3.26Å; C14-C273 WeakPolarHBondContact SG-CB 3.42Å; C14-C273 CovalentContact SG-SG 2.04Å; C14-C273 PolarHBondContact SG-SG 3.22Å; N271-C273 VanDerWaalsContact C-N 3.28Å; N271-C273 PolarHBondContact O-N 3.33Å; C273-G275 PolarHBondContact O-N 3.19Å
274F76.2Confident78.1Confident0 Ų055.6 Ų55.60%030%0.299CS..G310 helixtrans-77.2-3.1170.1-58.9-82.7000112.8V67 L266 P268 N271 P272 S279 R280 M283 Y289 L292V67-F274 HydrophobicContact CG2-CZ 4.46Å; L266-F274 HydrophobicContact CB-CE2 4.1Å; L266-F274 HydrophobicContact CB-CZ 3.92Å; P268-F274 HydrophobicContact CB-CD2 4.39Å; P268-F274 HydrophobicContact CB-CE2 4.46Å; P268-F274 HydrophobicContact CB-CG 4.44Å; N271-F274 HydrophobicContact CB-CD2 3.9Å; N271-F274 HydrophobicContact CB-CE2 3.95Å; P272-F274 VanDerWaalsContact C-N 3.27Å; P272-F274 PolarHBondContact O-N 2.95Å; F274-S279 PolarHBondContact O-OG 2.96Å; F274-R280 HydrophobicContact CB-CG 3.97Å; F274-M283 HydrophobicContact CB-CE 3.74Å; F274-M283 HydrophobicContact CD1-CE 3.93Å; F274-M283 HydrophobicContact CG-CE 4.35Å; F274-M283 WeakPolarHBondContact O-CE 3.5Å; F274-Y289 AromaticContact CD1-CD1 3.68Å; F274-Y289 HydrophobicContact CD1-CD1 3.68Å; F274-Y289 AromaticContact CD1-CE1 3.65Å; F274-Y289 HydrophobicContact CD1-CE1 3.65Å; F274-Y289 AromaticContact CE1-CD1 3.47Å; F274-Y289 HydrophobicContact CE1-CD1 3.47Å; F274-Y289 VanDerWaalsContact CE1-CD1 3.47Å; F274-Y289 AromaticContact CE1-CE1 3.79Å; F274-Y289 HydrophobicContact CE1-CE1 3.79Å; F274-Y289 HydrophobicContact CE1-CG 4.41Å; F274-L292 HydrophobicContact CD1-CD2 3.51Å; F274-L292 HydrophobicContact CE1-CD2 3.73Å; F274-L292 HydrophobicContact CG-CD2 4.45Å
275G75.4Confident77.1Confident35 Ų3558.7 Ų58.736%0.36131%0.313SS..  trans72.8-151.5173.700000114.5P272 C273 R280P272-G275 WeakPolarHBondContact O-CA 3.28Å; P272-G275 PolarHBondContact O-N 3.02Å; C273-G275 PolarHBondContact O-N 3.19Å; G275-R280 PolarHBondContact O-NE 3.34Å; G275-R280 VanDerWaalsContact O-NE 3.13Å
276S77.4Confident76Confident71 Ų7161.7 Ų61.750%0.49732%0.322SS..SBendtrans-63.1166-178.770.20000114.5L278 S279 R280S276-L278 PolarHBondContact O-N 3.37Å; S276-S279 PolarHBondContact N-OG 3.03Å; S276-S279 PolarHBondContact O-N 3.22Å; S276-S279 PolarHBondContact O-OG 2.98Å; S276-S279 PolarHBondContact OG-N 2.93Å; S276-S279 VanDerWaalsContact OG-N 3.17Å; S276-S279 PolarHBondContact OG-OG 3.4Å; S276-R280 WeakPolarHBondContact O-CG 3.41Å; S276-R280 PolarHBondContact O-N 2.91Å
277K79.4Confident75.2Confident189 Ų18963.1 Ų63.182%0.82233%0.33SS*.Hα-helixtrans-53.6-39.4171.6-67-172175-1710113.2F281K277-F281 WeakPolarHBondContact O-CB 3.4Å; K277-F281 PolarHBondContact O-N 3.15Å
278L75.6Confident74.7Confident118 Ų11863.7 Ų63.762%0.61834%0.337SS*.Hα-helixtrans-68.9-41179179.862.3000112.2S276 L282S276-L278 PolarHBondContact O-N 3.37Å; L278-L282 HydrophobicContact CD1-CD1 4.47Å; L278-L282 HydrophobicContact CD1-CG 4.48Å; L278-L282 HydrophobicContact CG-CD1 4.3Å; L278-L282 WeakPolarHBondContact O-CB 3.43Å; L278-L282 VanDerWaalsContact O-CG 3.32Å; L278-L282 WeakPolarHBondContact O-CG 3.27Å; L278-L282 PolarHBondContact O-N 3.3Å
279S72Confident74.6Confident10 Ų1064 Ų647%0.0734%0.337CS..Hα-helixtrans-69.6-35.817751.70000112.2F274 S276 L282 M283F274-S279 PolarHBondContact O-OG 2.96Å; S276-S279 PolarHBondContact N-OG 3.03Å; S276-S279 PolarHBondContact O-N 3.22Å; S276-S279 PolarHBondContact O-OG 2.98Å; S276-S279 PolarHBondContact OG-N 2.93Å; S276-S279 VanDerWaalsContact OG-N 3.17Å; S276-S279 PolarHBondContact OG-OG 3.4Å; S279-L282 PolarHBondContact O-N 3.43Å; S279-M283 WeakPolarHBondContact O-CE 3.48Å; S279-M283 WeakPolarHBondContact O-CG 3.2Å; S279-M283 PolarHBondContact O-N 3.19Å
280R77Confident74.5Confident56 Ų5660.6 Ų60.621%0.21132%0.321CS..Hα-helixtrans-62.1-50.8172.2-69.3170.7179.6-158-12.9111.6P268 E269 N271 F274 G275 S276 L282 M283 E284P268-R280 PolarHBondContact O-NE 3.25Å; P268-R280 PolarHBondContact O-NH1 2.77Å; P268-R280 PolarHBondContact O-NH2 2.69Å; E269-R280 PolarHBondContact O-NH1 3.01Å; E269-R280 PolarHBondContact O-NH2 2.82Å; N271-R280 PolarHBondContact O-NH2 2.91Å; F274-R280 HydrophobicContact CB-CG 3.97Å; G275-R280 PolarHBondContact O-NE 3.34Å; G275-R280 VanDerWaalsContact O-NE 3.13Å; S276-R280 WeakPolarHBondContact O-CG 3.41Å; S276-R280 PolarHBondContact O-N 2.91Å; R280-L282 VanDerWaalsContact C-N 3.33Å; R280-L282 PolarHBondContact O-N 3.08Å; R280-M283 PolarHBondContact O-N 2.8Å; R280-E284 WeakPolarHBondContact O-CB 3.48Å; R280-E284 PolarHBondContact O-N 3.07Å
281F76Confident74.4Confident103 Ų10357.3 Ų57.345%0.45230%0.3SS..Hα-helixtrans-55.8-44.8174.7175.6-107.4000112.3K277 M283 E284 E285 F286K277-F281 WeakPolarHBondContact O-CB 3.4Å; K277-F281 PolarHBondContact O-N 3.15Å; F281-M283 VanDerWaalsContact C-N 3.29Å; F281-M283 PolarHBondContact O-N 3.46Å; F281-E284 PolarHBondContact O-N 3.35Å; F281-E285 HydrophobicContact CE2-CB 4.23Å; F281-E285 HydrophobicContact CE2-CG 4.31Å; F281-E285 HydrophobicContact CZ-CB 4.39Å; F281-E285 HydrophobicContact CZ-CG 4.26Å; F281-E285 VanDerWaalsContact O-CB 3.27Å; F281-E285 WeakPolarHBondContact O-CB 3.31Å; F281-E285 PolarHBondContact O-N 2.93Å; F281-F286 HydrophobicContact CE1-CE2 4.11Å; F281-F286 HydrophobicContact CZ-CE2 4.44Å
282L70Confident74.4Confident46 Ų4655.4 Ų55.424%0.24129%0.29CS..Hα-helixtrans-63.8-31175.9-72.4172.4000113.4L3 L278 S279 R280 F286 L287L3-L282 HydrophobicContact CD2-CD1 4.37Å; L278-L282 HydrophobicContact CD1-CD1 4.47Å; L278-L282 HydrophobicContact CD1-CG 4.48Å; L278-L282 HydrophobicContact CG-CD1 4.3Å; L278-L282 WeakPolarHBondContact O-CB 3.43Å; L278-L282 VanDerWaalsContact O-CG 3.32Å; L278-L282 WeakPolarHBondContact O-CG 3.27Å; L278-L282 PolarHBondContact O-N 3.3Å; S279-L282 PolarHBondContact O-N 3.43Å; R280-L282 VanDerWaalsContact C-N 3.33Å; R280-L282 PolarHBondContact O-N 3.08Å; L282-F286 HydrophobicContact CD2-CD2 3.78Å; L282-F286 HydrophobicContact CD2-CE2 4.18Å; L282-F286 CarbonylContact O-C 3.58Å; L282-F286 WeakPolarHBondContact O-CA 3.43Å; L282-F286 WeakPolarHBondContact O-CB 3.34Å; L282-F286 PolarHBondContact O-N 2.82Å; L282-L287 HydrophobicContact CB-CD1 4.21Å; L282-L287 WeakPolarHBondContact O-CG 3.48Å; L282-L287 PolarHBondContact O-N 3.14Å
283M73.7Confident74.6Confident1 Ų150.9 Ų50.91%0.00526%0.26CS..Iπ-helixtrans-80.9-34.1176.2-70.2-178.9-59.300113.4F7 F274 S279 R280 F281 L287 G288 Y289 L292F7-M283 HydrophobicContact CD1-SD 4.22Å; F7-M283 HydrophobicContact CE1-CE 3.99Å; F7-M283 HydrophobicContact CE1-CG 4.3Å; F7-M283 HydrophobicContact CE1-SD 3.58Å; F7-M283 VanDerWaalsContact CE1-SD 3.58Å; F7-M283 HydrophobicContact CZ-CG 4.12Å; F7-M283 HydrophobicContact CZ-SD 4.01Å; F274-M283 HydrophobicContact CB-CE 3.74Å; F274-M283 HydrophobicContact CD1-CE 3.93Å; F274-M283 HydrophobicContact CG-CE 4.35Å; F274-M283 WeakPolarHBondContact O-CE 3.5Å; S279-M283 WeakPolarHBondContact O-CE 3.48Å; S279-M283 WeakPolarHBondContact O-CG 3.2Å; S279-M283 PolarHBondContact O-N 3.19Å; R280-M283 PolarHBondContact O-N 2.8Å; F281-M283 VanDerWaalsContact C-N 3.29Å; F281-M283 PolarHBondContact O-N 3.46Å; M283-L287 HydrophobicContact CG-CB 4.32Å; M283-L287 HydrophobicContact CG-CD1 3.9Å; M283-G288 CarbonylContact O-C 3.52Å; M283-G288 WeakPolarHBondContact O-CA 3.47Å; M283-G288 PolarHBondContact O-N 3.1Å; M283-Y289 HydrophobicContact CB-CD1 4.11Å; M283-Y289 HydrophobicContact CB-CE1 3.8Å; M283-Y289 HydrophobicContact CE-CE1 4.31Å; M283-Y289 HydrophobicContact SD-CD1 4.43Å; M283-L292 HydrophobicContact CE-CD2 4.39Å; M283-L292 HydrophobicContact SD-CB 4.47Å; M283-L292 HydrophobicContact SD-CD2 3.8Å
284E73.8Confident74.7Confident90 Ų9051.1 Ų51.142%0.42126%0.26SS..Iπ-helixtrans-69-39.1175.5-174.9166.9-167.900112.1R69 R280 F281R69-E284 IonicContact CZ-OE1 3.5Å; R69-E284 IonicContact NH1-OE1 3.92Å; R69-E284 PolarHBondContact NH1-OE1 3.23Å; R69-E284 IonicContact NH1-OE2 2.9Å; R69-E284 IonicContact NH2-OE1 3.85Å; R69-E284 PolarHBondContact NH2-OE1 3.29Å; R280-E284 WeakPolarHBondContact O-CB 3.48Å; R280-E284 PolarHBondContact O-N 3.07Å; F281-E284 PolarHBondContact O-N 3.35Å
285E65.6Low74.8Confident81 Ų8151.5 Ų51.538%0.37926%0.264SS..Iπ-helixtrans-102.7-29.9-170.8-162.475.5-163.600114.3Y223 F281Y223-E285 HydrophobicContact CE1-CG 4.14Å; Y223-E285 WeakPolarHBondContact CE1-OE1 3.41Å; F281-E285 HydrophobicContact CE2-CB 4.23Å; F281-E285 HydrophobicContact CE2-CG 4.31Å; F281-E285 HydrophobicContact CZ-CB 4.39Å; F281-E285 HydrophobicContact CZ-CG 4.26Å; F281-E285 VanDerWaalsContact O-CB 3.27Å; F281-E285 WeakPolarHBondContact O-CB 3.31Å; F281-E285 PolarHBondContact O-N 2.93Å
286F63.4Low75Confident106 Ų10650 Ų5047%0.46525%0.248SC..Iπ-helixtrans-130.2-26.1-168.6-63.6-87.2000117Y223 F281 L282Y223-F286 HydrophobicContact CE2-CE1 4.27Å; Y223-F286 AromaticContact CZ-CE1 3.86Å; Y223-F286 VanDerWaalsContact OH-CE1 3.28Å; Y223-F286 WeakPolarHBondContact OH-CE1 3.37Å; Y223-F286 WeakPolarHBondContact OH-CZ 3.14Å; F281-F286 HydrophobicContact CE1-CE2 4.11Å; F281-F286 HydrophobicContact CZ-CE2 4.44Å; L282-F286 HydrophobicContact CD2-CD2 3.78Å; L282-F286 HydrophobicContact CD2-CE2 4.18Å; L282-F286 CarbonylContact O-C 3.58Å; L282-F286 WeakPolarHBondContact O-CA 3.43Å; L282-F286 WeakPolarHBondContact O-CB 3.34Å; L282-F286 PolarHBondContact O-N 2.82Å
287L68.7Low75.2Confident35 Ų3546.6 Ų46.618%0.18322%0.224CC..Iπ-helixtrans-111.7-22.1-172.3-54.1165.9000114F7 L282 M283 F453 V456F7-L287 HydrophobicContact CE2-CD1 3.85Å; F7-L287 HydrophobicContact CZ-CD1 4.17Å; L282-L287 HydrophobicContact CB-CD1 4.21Å; L282-L287 WeakPolarHBondContact O-CG 3.48Å; L282-L287 PolarHBondContact O-N 3.14Å; M283-L287 HydrophobicContact CG-CB 4.32Å; M283-L287 HydrophobicContact CG-CD1 3.9Å; L287-F453 HydrophobicContact CB-CE1 4.38Å; L287-F453 HydrophobicContact CD1-CE1 4.35Å; L287-F453 HydrophobicContact CD2-CD1 3.9Å; L287-F453 HydrophobicContact CD2-CE1 4.41Å; L287-V456 HydrophobicContact CD2-CB 4.15Å; L287-V456 HydrophobicContact CD2-CG2 3.51Å
288G73.2Confident75.2Confident17 Ų1739.9 Ų39.918%0.17520%0.195CC..  trans62.1-175.6-16100000112.7M283M283-G288 CarbonylContact O-C 3.52Å; M283-G288 WeakPolarHBondContact O-CA 3.47Å; M283-G288 PolarHBondContact O-N 3.1Å
289Y78Confident75.3Confident13 Ų1338.7 Ų38.75%0.05118%0.183CC..SBendtrans-102.9-11.7178.6-63.3-75.3000113.9V67 Y236 P268 F274 M283 D291 L292 L293V67-Y289 HydrophobicContact CG1-CD2 4.18Å; V67-Y289 HydrophobicContact CG1-CE2 4.41Å; V67-Y289 HydrophobicContact CG1-CG 4.32Å; V67-Y289 HydrophobicContact CG2-CG 4.46Å; Y236-Y289 AromaticContact CD2-CD2 3.66Å; Y236-Y289 HydrophobicContact CD2-CD2 3.66Å; Y236-Y289 HydrophobicContact CD2-CG 4.41Å; Y236-Y289 AromaticContact CE2-CD2 3.61Å; Y236-Y289 HydrophobicContact CE2-CD2 3.61Å; Y236-Y289 HydrophobicContact CE2-CE2 4.31Å; Y236-Y289 HydrophobicContact CG-CD2 4.4Å; P268-Y289 HydrophobicContact CB-CE1 4.15Å; F274-Y289 AromaticContact CD1-CD1 3.68Å; F274-Y289 HydrophobicContact CD1-CD1 3.68Å; F274-Y289 AromaticContact CD1-CE1 3.65Å; F274-Y289 HydrophobicContact CD1-CE1 3.65Å; F274-Y289 AromaticContact CE1-CD1 3.47Å; F274-Y289 HydrophobicContact CE1-CD1 3.47Å; F274-Y289 VanDerWaalsContact CE1-CD1 3.47Å; F274-Y289 AromaticContact CE1-CE1 3.79Å; F274-Y289 HydrophobicContact CE1-CE1 3.79Å; F274-Y289 HydrophobicContact CE1-CG 4.41Å; M283-Y289 HydrophobicContact CB-CD1 4.11Å; M283-Y289 HydrophobicContact CB-CE1 3.8Å; M283-Y289 HydrophobicContact CE-CE1 4.31Å; M283-Y289 HydrophobicContact SD-CD1 4.43Å; Y289-D291 PolarHBondContact O-N 2.98Å; Y289-L292 WeakPolarHBondContact O-CB 3.16Å; Y289-L292 PolarHBondContact O-N 3.33Å; Y289-L293 VanDerWaalsContact O-CG 3.26Å; Y289-L293 WeakPolarHBondContact O-CG 3.5Å; Y289-L293 PolarHBondContact O-N 2.68Å; Y289-L293 VanDerWaalsContact O-N 3.07Å
290E77.4Confident75.5Confident37 Ų3738.3 Ų38.317%0.17318%0.18CC..Hα-helixtrans-59.6-50.3-172.1174.8151.7-148.100113.5I238 L292 L293 I294 N312 Y319I238-E290 HydrophobicContact CD1-CB 4.4Å; I238-E290 HydrophobicContact CD1-CG 4.05Å; E290-L292 VanDerWaalsContact C-N 3.27Å; E290-L292 PolarHBondContact O-N 3.12Å; E290-L293 PolarHBondContact O-N 2.97Å; E290-L293 VanDerWaalsContact O-N 3.15Å; E290-I294 HydrophobicContact CG-CD1 3.56Å; E290-I294 HydrophobicContact CG-CG1 4.25Å; E290-I294 WeakPolarHBondContact O-CB 3.25Å; E290-I294 WeakPolarHBondContact O-CG1 3.21Å; E290-I294 PolarHBondContact O-N 3.11Å; E290-N312 WeakPolarHBondContact OE1-CB 3.47Å; E290-N312 PolarHBondContact OE1-ND2 3.39Å; E290-N312 PolarHBondContact OE2-ND2 3.1Å; E290-Y319 VanDerWaalsContact OE1-CE2 3.31Å; E290-Y319 WeakPolarHBondContact OE1-CE2 3.46Å
291D76Confident75.4Confident37 Ų3735.7 Ų35.720%0.19817%0.171CC..Hα-helixtrans-63.1-32.7-179.1-124.8-36.5000112.8Y289 G295 Q452 F453Y289-D291 PolarHBondContact O-N 2.98Å; D291-G295 WeakPolarHBondContact O-CA 3.21Å; D291-G295 PolarHBondContact O-N 2.86Å; D291-Q452 WeakPolarHBondContact OD1-CA 3.45Å; D291-Q452 WeakPolarHBondContact OD1-CB 3.32Å; D291-Q452 WeakPolarHBondContact OD1-CG 3.32Å; D291-F453 HydrophobicContact CB-CD1 3.9Å; D291-F453 HydrophobicContact CB-CE1 3.55Å; D291-F453 HydrophobicContact CB-CZ 3.93Å; D291-F453 WeakPolarHBondContact OD2-CA 3.3Å; D291-F453 PolarHBondContact OD2-N 2.92Å
292L78.5Confident75.2Confident9 Ų932.9 Ų32.95%0.04717%0.166CC..Hα-helixtrans-69.2-42.4175.3-177.475.8000111.5F7 F274 M283 Y289 E290 G295 S296F7-L292 HydrophobicContact CB-CD1 4.1Å; F7-L292 HydrophobicContact CD1-CD1 3.91Å; F7-L292 HydrophobicContact CG-CD1 4.37Å; F274-L292 HydrophobicContact CD1-CD2 3.51Å; F274-L292 HydrophobicContact CE1-CD2 3.73Å; F274-L292 HydrophobicContact CG-CD2 4.45Å; M283-L292 HydrophobicContact CE-CD2 4.39Å; M283-L292 HydrophobicContact SD-CB 4.47Å; M283-L292 HydrophobicContact SD-CD2 3.8Å; Y289-L292 WeakPolarHBondContact O-CB 3.16Å; Y289-L292 PolarHBondContact O-N 3.33Å; E290-L292 VanDerWaalsContact C-N 3.27Å; E290-L292 PolarHBondContact O-N 3.12Å; L292-G295 PolarHBondContact O-N 2.87Å; L292-S296 WeakPolarHBondContact O-CB 3.4Å; L292-S296 PolarHBondContact O-N 2.92Å; L292-S296 PolarHBondContact O-OG 3.47Å
293L81.4Confident75Confident1 Ų132.9 Ų32.91%0.00517%0.17CC..Hα-helixtrans-68.9-49.4178.5-67167.4000110.7I65 V67 I238 L266 Y289 E290 G295 S296 V297I65-L293 HydrophobicContact CG2-CD2 3.84Å; V67-L293 HydrophobicContact CG2-CD1 3.79Å; V67-L293 HydrophobicContact CG2-CD2 4.21Å; V67-L293 HydrophobicContact CG2-CG 4.44Å; I238-L293 HydrophobicContact CD1-CB 3.78Å; I238-L293 HydrophobicContact CD1-CD1 3.76Å; I238-L293 HydrophobicContact CD1-CG 4.45Å; I238-L293 HydrophobicContact CG1-CD1 4.14Å; L266-L293 HydrophobicContact CD1-CD2 3.77Å; Y289-L293 VanDerWaalsContact O-CG 3.26Å; Y289-L293 WeakPolarHBondContact O-CG 3.5Å; Y289-L293 PolarHBondContact O-N 2.68Å; Y289-L293 VanDerWaalsContact O-N 3.07Å; E290-L293 PolarHBondContact O-N 2.97Å; E290-L293 VanDerWaalsContact O-N 3.15Å; L293-G295 VanDerWaalsContact C-N 3.28Å; L293-G295 PolarHBondContact O-N 3.43Å; L293-S296 WeakPolarHBondContact O-CB 3.49Å; L293-S296 PolarHBondContact O-N 3.28Å; L293-S296 VanDerWaalsContact O-N 3.11Å; L293-V297 WeakPolarHBondContact O-CG2 3.33Å; L293-V297 PolarHBondContact O-N 3.12Å
294I78.9Confident74.6Confident18 Ų1834.1 Ų34.19%0.09218%0.176CC..Hα-helixtrans-58.3-42.8173.6-66.4174.1000110I238 E290 S296 V297 K298 V310 Y319I238-I294 HydrophobicContact CD1-CG1 4.26Å; E290-I294 HydrophobicContact CG-CD1 3.56Å; E290-I294 HydrophobicContact CG-CG1 4.25Å; E290-I294 WeakPolarHBondContact O-CB 3.25Å; E290-I294 WeakPolarHBondContact O-CG1 3.21Å; E290-I294 PolarHBondContact O-N 3.11Å; I294-S296 PolarHBondContact O-N 3.43Å; I294-V297 PolarHBondContact O-N 3.5Å; I294-K298 WeakPolarHBondContact O-CB 3.38Å; I294-K298 PolarHBondContact O-N 3.4Å; I294-V310 HydrophobicContact CG1-CG1 4.18Å; I294-Y319 HydrophobicContact CD1-CD1 4.45Å; I294-Y319 HydrophobicContact CD1-CD2 3.73Å; I294-Y319 HydrophobicContact CD1-CE1 4.45Å; I294-Y319 HydrophobicContact CD1-CE2 3.73Å; I294-Y319 HydrophobicContact CD1-CG 4.1Å
295G78.2Confident74.1Confident8 Ų832.4 Ų32.48%0.08218%0.183CC..Hα-helixtrans-58.9-43.7173.400000113.4D291 L292 L293 K298 Y299D291-G295 WeakPolarHBondContact O-CA 3.21Å; D291-G295 PolarHBondContact O-N 2.86Å; L292-G295 PolarHBondContact O-N 2.87Å; L293-G295 VanDerWaalsContact C-N 3.28Å; L293-G295 PolarHBondContact O-N 3.43Å; G295-K298 PolarHBondContact O-N 3.36Å; G295-Y299 WeakPolarHBondContact O-CB 3.28Å; G295-Y299 PolarHBondContact O-N 3.49Å
296S80.6Confident74.1Confident3 Ų330.5 Ų30.52%0.02118%0.175CC..Hα-helixtrans-66-43.9177.6-64.60000112.4L292 L293 I294 Y299 L300L292-S296 WeakPolarHBondContact O-CB 3.4Å; L292-S296 PolarHBondContact O-N 2.92Å; L292-S296 PolarHBondContact O-OG 3.47Å; L293-S296 WeakPolarHBondContact O-CB 3.49Å; L293-S296 PolarHBondContact O-N 3.28Å; L293-S296 VanDerWaalsContact O-N 3.11Å; I294-S296 PolarHBondContact O-N 3.43Å; S296-Y299 PolarHBondContact O-N 3.03Å; S296-L300 PolarHBondContact O-N 2.95Å; S296-L300 VanDerWaalsContact O-N 3.09Å
297V81.9Confident74.7Confident0 Ų032.8 Ų32.80%019%0.185CC..Hα-helixtrans-67.2-41176179.80000111L15 I65 Y240 L293 I294 Y299 L300 S301 V310 L321L15-V297 HydrophobicContact CD1-CB 4.4Å; L15-V297 HydrophobicContact CD1-CG2 3.55Å; I65-V297 HydrophobicContact CD1-CG2 3.51Å; Y240-V297 HydrophobicContact CD1-CG1 4.17Å; Y240-V297 HydrophobicContact CD2-CG1 3.38Å; Y240-V297 HydrophobicContact CE2-CG1 3.91Å; Y240-V297 HydrophobicContact CG-CG1 3.51Å; L293-V297 WeakPolarHBondContact O-CG2 3.33Å; L293-V297 PolarHBondContact O-N 3.12Å; I294-V297 PolarHBondContact O-N 3.5Å; V297-Y299 VanDerWaalsContact C-N 3.31Å; V297-Y299 PolarHBondContact O-N 2.84Å; V297-L300 WeakPolarHBondContact O-CB 3.46Å; V297-L300 PolarHBondContact O-N 3.38Å; V297-S301 PolarHBondContact O-N 3.41Å; V297-S301 PolarHBondContact O-OG 3Å; V297-V310 HydrophobicContact CB-CG2 4.43Å; V297-V310 HydrophobicContact CG1-CG2 3.87Å; V297-L321 HydrophobicContact CB-CD2 4.19Å; V297-L321 HydrophobicContact CG1-CD2 3.61Å
298K78.8Confident75.3Confident48 Ų4831.2 Ų31.221%0.20918%0.177CC..Hα-helixtrans-62.9-34.9176.1-176.9-179179.1-1740112I294 G295 A302 L321 F449I294-K298 WeakPolarHBondContact O-CB 3.38Å; I294-K298 PolarHBondContact O-N 3.4Å; G295-K298 PolarHBondContact O-N 3.36Å; K298-A302 WeakPolarHBondContact O-CB 3.42Å; K298-A302 PolarHBondContact O-N 3Å; K298-L321 HydrophobicContact CB-CD2 4.2Å; K298-L321 HydrophobicContact CB-CG 4.42Å; K298-F449 PolarHBondContact NZ-O 3.24Å
299Y77.3Confident75.9Confident93 Ų9333.7 Ų33.737%0.36518%0.181SC..Hα-helixtrans-67.7-44.6172178.4-93.7000112.1T13 R19 G295 S296 V297 S303T13-Y299 HydrophobicContact CG2-CD1 3.85Å; T13-Y299 HydrophobicContact CG2-CD2 4.39Å; T13-Y299 HydrophobicContact CG2-CE1 4.44Å; T13-Y299 HydrophobicContact CG2-CG 3.83Å; T13-Y299 WeakPolarHBondContact OG1-CD1 3.24Å; R19-Y299 PolarHBondContact NH1-OH 3.45Å; R19-Y299 VanDerWaalsContact NH2-CZ 3.3Å; R19-Y299 PolarHBondContact NH2-OH 3.43Å; G295-Y299 WeakPolarHBondContact O-CB 3.28Å; G295-Y299 PolarHBondContact O-N 3.49Å; S296-Y299 PolarHBondContact O-N 3.03Å; V297-Y299 VanDerWaalsContact C-N 3.31Å; V297-Y299 PolarHBondContact O-N 2.84Å; Y299-S303 PolarHBondContact O-N 2.97Å
300L77.8Confident76.4Confident2 Ų233.1 Ų33.11%0.0118%0.179CC..Hα-helixtrans-61.5-52.7178.9-173.260.6000111.2L15 L18 R19 F22 L63 S296 V297 A302 S303L15-L300 HydrophobicContact CB-CD2 4.04Å; L15-L300 HydrophobicContact CD1-CD2 4.36Å; L18-L300 HydrophobicContact CB-CD1 4.5Å; L18-L300 HydrophobicContact CB-CD2 4.37Å; L18-L300 HydrophobicContact CD1-CD2 4.11Å; R19-L300 HydrophobicContact CB-CD1 4.31Å; F22-L300 HydrophobicContact CD1-CD1 4.47Å; F22-L300 HydrophobicContact CD1-CG 4.2Å; F22-L300 HydrophobicContact CD2-CD1 4.04Å; F22-L300 HydrophobicContact CD2-CD2 4.16Å; F22-L300 HydrophobicContact CD2-CG 4.19Å; F22-L300 HydrophobicContact CE1-CD2 4.15Å; F22-L300 HydrophobicContact CE1-CG 3.93Å; F22-L300 HydrophobicContact CE2-CD1 4.23Å; F22-L300 HydrophobicContact CE2-CD2 3.5Å; F22-L300 VanDerWaalsContact CE2-CD2 3.5Å; F22-L300 HydrophobicContact CE2-CG 3.93Å; F22-L300 HydrophobicContact CG-CD1 4.18Å; F22-L300 HydrophobicContact CG-CG 4.33Å; F22-L300 HydrophobicContact CZ-CD2 3.5Å; F22-L300 HydrophobicContact CZ-CG 3.8Å; L63-L300 HydrophobicContact CD2-CD2 4.4Å; S296-L300 PolarHBondContact O-N 2.95Å; S296-L300 VanDerWaalsContact O-N 3.09Å; V297-L300 WeakPolarHBondContact O-CB 3.46Å; V297-L300 PolarHBondContact O-N 3.38Å; L300-A302 PolarHBondContact O-N 3.27Å; L300-S303 PolarHBondContact O-N 2.81Å; L300-S303 PolarHBondContact O-OG 2.68Å
301S75.1Confident76.8Confident1 Ų131.9 Ų31.91%0.00717%0.174CC..Hα-helixtrans-68.1-33.9178.972.50000113.5Y240 V297 S303 E304 G305 L306Y240-S301 WeakPolarHBondContact OH-CB 3.43Å; V297-S301 PolarHBondContact O-N 3.41Å; V297-S301 PolarHBondContact O-OG 3Å; S301-S303 PolarHBondContact O-N 2.85Å; S301-E304 PolarHBondContact O-N 3.42Å; S301-E304 VanDerWaalsContact O-N 3.1Å; S301-G305 PolarHBondContact O-N 3.41Å; S301-L306 PolarHBondContact O-N 3.44Å
302A70Confident77.2Confident44 Ų4430.5 Ų30.536%0.36417%0.167SC..Hα-helixtrans-61.3-28.8175.800000113.3K298 L300 E304 I323K298-A302 WeakPolarHBondContact O-CB 3.42Å; K298-A302 PolarHBondContact O-N 3Å; L300-A302 PolarHBondContact O-N 3.27Å; A302-E304 PolarHBondContact O-N 3.19Å; A302-I323 HydrophobicContact CB-CD1 4.46Å; A302-I323 HydrophobicContact CB-CG1 4.2Å; A302-I323 HydrophobicContact CB-CG2 3.99Å
303S66.5Low77.4Confident46 Ų4631.1 Ų31.132%0.32217%0.171SC..THydrogen-bonded Turntrans-68.6-18.6177.476.80000113.9Y299 L300 S301Y299-S303 PolarHBondContact O-N 2.97Å; L300-S303 PolarHBondContact O-N 2.81Å; L300-S303 PolarHBondContact O-OG 2.68Å; S301-S303 PolarHBondContact O-N 2.85Å
304E65Low77.2Confident27 Ų2734.6 Ų34.613%0.12619%0.188CC..THydrogen-bonded Turntrans-104.4-18.1-175.2-59.1-123.7104.300113.5F22 K26 S301 A302 L306F22-E304 HydrophobicContact CB-CG 4.45Å; F22-E304 HydrophobicContact CD1-CG 4.23Å; F22-E304 WeakPolarHBondContact CD1-OE2 3.38Å; K26-E304 PolarHBondContact NZ-O 3.26Å; S301-E304 PolarHBondContact O-N 3.42Å; S301-E304 VanDerWaalsContact O-N 3.1Å; A302-E304 PolarHBondContact O-N 3.19Å; E304-L306 VanDerWaalsContact C-N 3.33Å; E304-L306 HydrophobicContact CB-CB 4.37Å; E304-L306 HydrophobicContact CB-CD1 3.8Å; E304-L306 HydrophobicContact CB-CG 3.72Å; E304-L306 HydrophobicContact CG-CD1 4.36Å; E304-L306 WeakPolarHBondContact OE2-CD1 3.48Å
305G64.1Low76.8Confident55 Ų5536.5 Ų36.557%0.56720%0.203SC*.THydrogen-bonded Turntrans82.97.6-169.900000113.9S301 I323S301-G305 PolarHBondContact O-N 3.41Å; G305-I323 VanDerWaalsContact C-CD1 3.48Å
306L65.1Low76.5Confident41 Ų4137.5 Ų37.522%0.21521%0.213CC..  trans-79133.7-174.8-64.5174.7000111.7L242 S301 E304L242-L306 HydrophobicContact CD1-CB 3.87Å; L242-L306 HydrophobicContact CD1-CD1 4.22Å; L242-L306 HydrophobicContact CD1-CD2 3.94Å; L242-L306 HydrophobicContact CD1-CG 4.22Å; S301-L306 PolarHBondContact O-N 3.44Å; E304-L306 VanDerWaalsContact C-N 3.33Å; E304-L306 HydrophobicContact CB-CB 4.37Å; E304-L306 HydrophobicContact CB-CD1 3.8Å; E304-L306 HydrophobicContact CB-CG 3.72Å; E304-L306 HydrophobicContact CG-CD1 4.36Å; E304-L306 WeakPolarHBondContact OE2-CD1 3.48Å
307K75.8Confident76.2Confident154 Ų15441.9 Ų41.967%0.6723%0.233SC*.  trans-88.7124.4165.9-60.7172.5-172.4171.40107.1L242L242-K307 VanDerWaalsContact CD1-O 3.32Å; L242-K307 WeakPolarHBondContact CD1-O 3.2Å
308G81.4Confident76.1Confident1 Ų146.4 Ų46.41%0.0125%0.254CS..EExtended strand (participates in β ladder)trans-133.3-176.2178.300000112.4L321G308-L321 PolarHBondContact N-O 3.43Å; G308-L321 PolarHBondContact O-N 3.25Å
309Y86.5Confident75.9Confident70 Ų7048 Ų4828%0.27526%0.259SS..EExtended strand (participates in β ladder)trans-127.8139.5179.4-63.5-94.6000108.8Y240 A241 Y244 Y319 K320Y240-Y309 WeakPolarHBondContact CA-O 2.94Å; Y240-Y309 WeakPolarHBondContact CD2-O 3.07Å; A241-Y309 PolarHBondContact N-O 3.33Å; A241-Y309 PolarHBondContact O-N 2.61Å; Y244-Y309 AromaticContact CD2-CD1 3.72Å; Y244-Y309 HydrophobicContact CD2-CD1 3.72Å; Y244-Y309 HydrophobicContact CD2-CE1 4.23Å; Y244-Y309 HydrophobicContact CD2-CG 4.03Å; Y244-Y309 HydrophobicContact CG-CD1 4.22Å; Y244-Y309 HydrophobicContact CG-CE1 4.35Å; Y244-Y309 HydrophobicContact CG-CG 4.47Å; Y309-Y319 WeakPolarHBondContact CA-O 3.22Å; Y309-K320 HydrophobicContact CD1-CB 4.41Å; Y309-K320 HydrophobicContact CD1-CG 4.27Å; Y309-K320 HydrophobicContact CE1-CB 4.35Å; Y309-K320 HydrophobicContact CE1-CD 4.28Å; Y309-K320 HydrophobicContact CE1-CG 3.86Å
310V87.3Confident76Confident0 Ų050 Ų500%027%0.27CS..EExtended strand (participates in β ladder)trans-118.2145.51731710000108.7I238 E239 Y240 I294 V297 H318 Y319 L321I238-V310 HydrophobicContact CG2-CG1 3.29Å; E239-V310 CarbonylContact O-C 3.42Å; E239-V310 VanDerWaalsContact O-CA 3.25Å; E239-V310 WeakPolarHBondContact O-CA 3.43Å; Y240-V310 HydrophobicContact CD2-CG2 3.73Å; Y240-V310 HydrophobicContact CG-CG2 4.4Å; I294-V310 HydrophobicContact CG1-CG1 4.18Å; V297-V310 HydrophobicContact CB-CG2 4.43Å; V297-V310 HydrophobicContact CG1-CG2 3.87Å; V310-H318 CarbonylContact O-C 3.58Å; V310-Y319 PolarHBondContact N-O 3.14Å; V310-Y319 PolarHBondContact O-N 2.95Å; V310-L321 HydrophobicContact CB-CD1 3.73Å; V310-L321 HydrophobicContact CG2-CD1 3.41Å; V310-L321 VanDerWaalsContact CG2-CD1 3.41Å; V310-L321 HydrophobicContact CG2-CD2 3.57Å; V310-L321 HydrophobicContact CG2-CG 4.11Å
311V86.5Confident75.7Confident12 Ų1250.3 Ų50.37%0.07327%0.272CS..EExtended strand (participates in β ladder)trans-132.8129.4174.9-165.70000108.9I238 E239 L247 Q317 H318I238-V311 CarbonylContact C-O 3.52Å; I238-V311 WeakPolarHBondContact CA-O 3.29Å; E239-V311 PolarHBondContact N-O 3.03Å; E239-V311 PolarHBondContact O-N 2.98Å; L247-V311 HydrophobicContact CB-CG2 3.93Å; L247-V311 HydrophobicContact CD1-CG2 3.81Å; L247-V311 HydrophobicContact CD2-CG2 3.99Å; L247-V311 HydrophobicContact CG-CG2 4.09Å; V311-Q317 WeakPolarHBondContact CA-O 3.42Å; V311-H318 WeakPolarHBondContact CG1-ND1 3.45Å; V311-H318 WeakPolarHBondContact CG2-ND1 3.24Å
312N84.7Confident75.1Confident7 Ų753.4 Ų53.44%0.03729%0.291CS..EExtended strand (participates in β ladder)trans-80.6116.5161.9175.5-18.2000107.7E290 M314 S315 G316 Q317E290-N312 WeakPolarHBondContact OE1-CB 3.47Å; E290-N312 PolarHBondContact OE1-ND2 3.39Å; E290-N312 PolarHBondContact OE2-ND2 3.1Å; N312-M314 VanDerWaalsContact C-N 3.26Å; N312-M314 PolarHBondContact O-N 3.41Å; N312-M314 PolarHBondContact OD1-N 2.86Å; N312-S315 WeakPolarHBondContact CB-OG 3.31Å; N312-S315 PolarHBondContact ND2-OG 3.39Å; N312-S315 PolarHBondContact OD1-N 3.38Å; N312-G316 VanDerWaalsContact O-CA 3.27Å; N312-G316 WeakPolarHBondContact O-CA 3.45Å; N312-G316 PolarHBondContact O-N 2.9Å; N312-Q317 PolarHBondContact N-O 3.04Å
313V82.9Confident74.6Confident22 Ų2254.5 Ų54.513%0.13329%0.29CS..THydrogen-bonded Turntrans-76-17.7-173.21800000111.7E84 I237 E239E84-V313 HydrophobicContact CG-CG1 3.81Å; I237-V313 HydrophobicContact CB-CB 4.05Å; I237-V313 HydrophobicContact CG2-CB 3.66Å; I237-V313 HydrophobicContact CG2-CG1 4.2Å; I237-V313 HydrophobicContact CG2-CG2 3.76Å; I237-V313 PolarHBondContact O-N 2.99Å; E239-V313 HydrophobicContact CB-CG2 4.19Å; E239-V313 HydrophobicContact CG-CG2 3.71Å
314M76Confident74.1Confident74 Ų7454.5 Ų54.537%0.36529%0.289SS..THydrogen-bonded Turntrans-87-47174.8-64.7-54-157.100112.3S235 I237 N312S235-M314 WeakPolarHBondContact O-CG 3.49Å; S235-M314 WeakPolarHBondContact OG-CE 3.45Å; I237-M314 HydrophobicContact CD1-CE 3.72Å; I237-M314 HydrophobicContact CD1-SD 4.5Å; I237-M314 HydrophobicContact CG1-CE 4.27Å; N312-M314 VanDerWaalsContact C-N 3.26Å; N312-M314 PolarHBondContact O-N 3.41Å; N312-M314 PolarHBondContact OD1-N 2.86Å
315S70.5Confident73.5Confident59 Ų5961.5 Ų61.541%0.41332%0.322SS..THydrogen-bonded Turntrans-82.4-18.8178.673.60000114N312 Q317N312-S315 WeakPolarHBondContact CB-OG 3.31Å; N312-S315 PolarHBondContact ND2-OG 3.39Å; N312-S315 PolarHBondContact OD1-N 3.38Å; S315-Q317 PolarHBondContact O-N 3.49Å; S315-Q317 WeakPolarHBondContact OG-CB 3.45Å; S315-Q317 WeakPolarHBondContact OG-CG 3.43Å; S315-Q317 PolarHBondContact OG-N 3.35Å; S315-Q317 PolarHBondContact OG-OE1 2.91Å
316G72.5Confident73.2Confident29 Ų2961.6 Ų61.630%0.29931%0.308SS..  trans74.34.6-173.500000114.4N312 H318N312-G316 VanDerWaalsContact O-CA 3.27Å; N312-G316 WeakPolarHBondContact O-CA 3.45Å; N312-G316 PolarHBondContact O-N 2.9Å; G316-H318 PolarHBondContact O-CD2 3.38Å
317Q74.4Confident73Confident95 Ų9563 Ų6344%0.44432%0.321SS..  trans-73.9133-177-69.6162.1-35.800111.6V311 N312 S315 Y319V311-Q317 WeakPolarHBondContact CA-O 3.42Å; N312-Q317 PolarHBondContact N-O 3.04Å; S315-Q317 PolarHBondContact O-N 3.49Å; S315-Q317 WeakPolarHBondContact OG-CB 3.45Å; S315-Q317 WeakPolarHBondContact OG-CG 3.43Å; S315-Q317 PolarHBondContact OG-N 3.35Å; S315-Q317 PolarHBondContact OG-OE1 2.91Å; Q317-Y319 HydrophobicContact CB-CE2 3.83Å; Q317-Y319 PolarHBondContact OE1-OH 3.18Å
318H79.4Confident72.8Confident95 Ų9566.5 Ų66.544%0.4433%0.331SS..EExtended strand (participates in β ladder)trans-109107.1-175.8-69-71000111.7Y244 V310 V311 G316Y244-H318 HydrophobicContact CE2-CB 4.26Å; Y244-H318 AromaticContact CE2-CG 3.96Å; Y244-H318 AromaticContact CE2-ND1 3.73Å; V310-H318 CarbonylContact O-C 3.58Å; V311-H318 WeakPolarHBondContact CG1-ND1 3.45Å; V311-H318 WeakPolarHBondContact CG2-ND1 3.24Å; G316-H318 PolarHBondContact O-CD2 3.38Å
319Y75.5Confident72.7Confident80 Ų8070.3 Ų70.331%0.31436%0.357SS..EExtended strand (participates in β ladder)trans-96.9130.7179.8-58.6-83.3000112E290 I294 Y309 V310 Q317E290-Y319 VanDerWaalsContact OE1-CE2 3.31Å; E290-Y319 WeakPolarHBondContact OE1-CE2 3.46Å; I294-Y319 HydrophobicContact CD1-CD1 4.45Å; I294-Y319 HydrophobicContact CD1-CD2 3.73Å; I294-Y319 HydrophobicContact CD1-CE1 4.45Å; I294-Y319 HydrophobicContact CD1-CE2 3.73Å; I294-Y319 HydrophobicContact CD1-CG 4.1Å; Y309-Y319 WeakPolarHBondContact CA-O 3.22Å; V310-Y319 PolarHBondContact N-O 3.14Å; V310-Y319 PolarHBondContact O-N 2.95Å; Q317-Y319 HydrophobicContact CB-CE2 3.83Å; Q317-Y319 PolarHBondContact OE1-OH 3.18Å
320K78.7Confident72.5Confident137 Ų13767.3 Ų67.360%0.59635%0.346SS*.EExtended strand (participates in β ladder)trans-93108.8174.9-170.4-179.3-174.6174.80110.3Y309 V322Y309-K320 HydrophobicContact CD1-CB 4.41Å; Y309-K320 HydrophobicContact CD1-CG 4.27Å; Y309-K320 HydrophobicContact CE1-CB 4.35Å; Y309-K320 HydrophobicContact CE1-CD 4.28Å; Y309-K320 HydrophobicContact CE1-CG 3.86Å; K320-V322 VanDerWaalsContact C-N 3.27Å; K320-V322 HydrophobicContact CD-CG2 4.11Å; K320-V322 HydrophobicContact CG-CG2 3.99Å; K320-V322 PolarHBondContact O-N 3.39Å
321L71.6Confident72.5Confident8 Ų871.2 Ų71.24%0.04236%0.361CS..EExtended strand (participates in β ladder)trans-76.780.6178.3-89.659.5000110.3Y240 V297 K298 G308 V310Y240-L321 HydrophobicContact CD2-CD2 4.24Å; Y240-L321 HydrophobicContact CE2-CD2 4.15Å; V297-L321 HydrophobicContact CB-CD2 4.19Å; V297-L321 HydrophobicContact CG1-CD2 3.61Å; K298-L321 HydrophobicContact CB-CD2 4.2Å; K298-L321 HydrophobicContact CB-CG 4.42Å; G308-L321 PolarHBondContact N-O 3.43Å; G308-L321 PolarHBondContact O-N 3.25Å; V310-L321 HydrophobicContact CB-CD1 3.73Å; V310-L321 HydrophobicContact CG2-CD1 3.41Å; V310-L321 VanDerWaalsContact CG2-CD1 3.41Å; V310-L321 HydrophobicContact CG2-CD2 3.57Å; V310-L321 HydrophobicContact CG2-CG 4.11Å
322V63.1Low72.7Confident66 Ų6677.8 Ų77.840%0.439%0.389SS..  trans-82.6127.4162.9-174.40000108.3K320 S324K320-V322 VanDerWaalsContact C-N 3.27Å; K320-V322 HydrophobicContact CD-CG2 4.11Å; K320-V322 HydrophobicContact CG-CG2 3.99Å; K320-V322 PolarHBondContact O-N 3.39Å; V322-S324 PolarHBondContact O-N 2.98Å
323I59.1Low72.8Confident67 Ų6779.2 Ų79.234%0.34440%0.402SS..  trans-7369.4169.2-49.3162000108.3A302 G305 Q325A302-I323 HydrophobicContact CB-CD1 4.46Å; A302-I323 HydrophobicContact CB-CG1 4.2Å; A302-I323 HydrophobicContact CB-CG2 3.99Å; G305-I323 VanDerWaalsContact C-CD1 3.48Å; I323-Q325 VanDerWaalsContact C-N 3.28Å; I323-Q325 PolarHBondContact O-N 2.91Å
324S56.3Low73.2Confident45 Ų4578.2 Ų78.232%0.31540%0.396SS..  trans-75.885.6173.9-163.20000108.8V322 M326V322-S324 PolarHBondContact O-N 2.98Å; S324-M326 PolarHBondContact O-N 3.34Å; S324-M326 PolarHBondContact OG-SD 2.75Å
325Q51.6Low73.9Confident174 Ų17475.9 Ų75.981%0.81339%0.389SS*.  trans-72.470.4162.7-170.6-178.3-109.100108.3I323 S327I323-Q325 VanDerWaalsContact C-N 3.28Å; I323-Q325 PolarHBondContact O-N 2.91Å; Q325-S327 PolarHBondContact O-N 2.91Å; Q325-S327 VanDerWaalsContact O-N 3.11Å
326M58.5Low74.9Confident57 Ų5777.4 Ų77.428%0.28139%0.392SS..  trans-53.5119.7-179.5-139.178.2148.500108.6S324 Y447S324-M326 PolarHBondContact O-N 3.34Å; S324-M326 PolarHBondContact OG-SD 2.75Å; M326-Y447 HydrophobicContact CE-CD1 3.92Å; M326-Y447 HydrophobicContact CE-CE1 4.3Å; M326-Y447 WeakPolarHBondContact CG-O 3.34Å
327S61.3Low75.8Confident70 Ų7077.6 Ų77.649%0.4939%0.386SS..  trans-69.2170.5-17475.30000110.7Q325 S329 S330Q325-S327 PolarHBondContact O-N 2.91Å; Q325-S327 VanDerWaalsContact O-N 3.11Å; S327-S329 PolarHBondContact O-N 3.05Å; S327-S329 WeakPolarHBondContact OG-CB 3.25Å; S327-S329 PolarHBondContact OG-N 3.19Å; S327-S330 VanDerWaalsContact O-CB 3.27Å; S327-S330 WeakPolarHBondContact O-CB 3.5Å; S327-S330 PolarHBondContact O-N 3.41Å; S327-S330 PolarHBondContact O-OG 2.76Å
328R71.6Confident76.6Confident229 Ų22973.5 Ų73.586%0.86437%0.367SS*.THydrogen-bonded Turntrans-57.5-18173.5-72.6-179.8175.3161.9-2.7113.3S330 Y331R328-S330 PolarHBondContact O-N 2.85Å; R328-Y331 WeakPolarHBondContact O-CD2 3.32Å
329S79Confident77.2Confident81 Ų8173.1 Ų73.157%0.56637%0.367SS*.THydrogen-bonded Turntrans-68.8-15.6173.2-153.20000113.5S327 Y331 F332 A333S327-S329 PolarHBondContact O-N 3.05Å; S327-S329 WeakPolarHBondContact OG-CB 3.25Å; S327-S329 PolarHBondContact OG-N 3.19Å; S329-Y331 PolarHBondContact O-N 3.11Å; S329-Y331 VanDerWaalsContact O-N 3.14Å; S329-F332 WeakPolarHBondContact O-CB 3.4Å; S329-F332 PolarHBondContact O-N 2.62Å; S329-A333 PolarHBondContact O-N 3.16Å
330S82.5Confident78Confident6 Ų673.5 Ų73.54%0.04237%0.374CS..Hα-helixtrans-56.6-32.1178.574.60000113S327 R328 F332 A333 A334S327-S330 VanDerWaalsContact O-CB 3.27Å; S327-S330 WeakPolarHBondContact O-CB 3.5Å; S327-S330 PolarHBondContact O-N 3.41Å; S327-S330 PolarHBondContact O-OG 2.76Å; R328-S330 PolarHBondContact O-N 2.85Å; S330-F332 VanDerWaalsContact C-N 3.32Å; S330-F332 PolarHBondContact O-N 3.37Å; S330-A333 PolarHBondContact O-N 3.15Å; S330-A334 WeakPolarHBondContact O-CB 3.35Å; S330-A334 PolarHBondContact O-N 3Å
331Y87.7Confident78.6Confident82 Ų8267.3 Ų67.332%0.32235%0.348SS..Hα-helixtrans-67.5-30.4177.9-61-50.4000112.8R328 S329 A335 F440 A444 R448R328-Y331 WeakPolarHBondContact O-CD2 3.32Å; S329-Y331 PolarHBondContact O-N 3.11Å; S329-Y331 VanDerWaalsContact O-N 3.14Å; Y331-A335 WeakPolarHBondContact O-CB 3.22Å; Y331-A335 PolarHBondContact O-N 3.13Å; Y331-F440 WeakPolarHBondContact O-CE2 3.29Å; Y331-A444 HydrophobicContact CD1-CB 3.7Å; Y331-A444 HydrophobicContact CE1-CB 4Å; Y331-R448 HydrophobicContact CE1-CB 3.92Å; Y331-R448 HydrophobicContact CE1-CG 4.12Å
332F89.8Confident79.6Confident150 Ų15067 Ų6766%0.65835%0.346SS*.Hα-helixtrans-72.5-43175-174.1-96000111.3S329 S330 A334 A335 L336S329-F332 WeakPolarHBondContact O-CB 3.4Å; S329-F332 PolarHBondContact O-N 2.62Å; S330-F332 VanDerWaalsContact C-N 3.32Å; S330-F332 PolarHBondContact O-N 3.37Å; F332-A334 VanDerWaalsContact C-N 3.34Å; F332-A334 PolarHBondContact O-N 3.18Å; F332-A335 PolarHBondContact O-N 3.15Å; F332-L336 PolarHBondContact O-N 3.26Å
333A87.6Confident80.9Confident38 Ų3868.8 Ų68.831%0.31435%0.348SS..Hα-helixtrans-60.8-43.8172.800000111.6S329 S330 A335 L336 I337 Y447S329-A333 PolarHBondContact O-N 3.16Å; S330-A333 PolarHBondContact O-N 3.15Å; A333-A335 PolarHBondContact O-N 3.09Å; A333-L336 PolarHBondContact O-N 2.96Å; A333-I337 WeakPolarHBondContact O-CB 3.3Å; A333-I337 VanDerWaalsContact O-CG1 3.29Å; A333-I337 WeakPolarHBondContact O-CG1 3.22Å; A333-I337 PolarHBondContact O-N 3.2Å; A333-Y447 HydrophobicContact CB-CE1 4.47Å
334A89.7Confident82.5Confident0 Ų067.5 Ų67.50%035%0.345CS..Hα-helixtrans-60.7-42.3175.800000112.6S330 F332 M338 Y447S330-A334 WeakPolarHBondContact O-CB 3.35Å; S330-A334 PolarHBondContact O-N 3Å; F332-A334 VanDerWaalsContact C-N 3.34Å; F332-A334 PolarHBondContact O-N 3.18Å; A334-M338 VanDerWaalsContact O-CB 3.22Å; A334-M338 WeakPolarHBondContact O-CB 3.32Å; A334-M338 PolarHBondContact O-N 3.07Å; A334-Y447 HydrophobicContact CB-CD1 4.48Å; A334-Y447 HydrophobicContact CB-CD2 4.04Å; A334-Y447 HydrophobicContact CB-CG 3.82Å
335A90.5Very high84Confident26 Ų2665.4 Ų65.422%0.21533%0.33CS..Hα-helixtrans-64.6-44.617700000112.4Y331 F332 A333 L339 F440Y331-A335 WeakPolarHBondContact O-CB 3.22Å; Y331-A335 PolarHBondContact O-N 3.13Å; F332-A335 PolarHBondContact O-N 3.15Å; A333-A335 PolarHBondContact O-N 3.09Å; A335-L339 WeakPolarHBondContact O-CB 3.49Å; A335-L339 VanDerWaalsContact O-CG 3.29Å; A335-L339 WeakPolarHBondContact O-CG 3.26Å; A335-L339 PolarHBondContact O-N 3.49Å; A335-F440 HydrophobicContact CB-CD2 4.08Å; A335-F440 HydrophobicContact CB-CE2 3.77Å
336L91.7Very high85.7Confident91 Ų9157.5 Ų57.548%0.47629%0.294SS..Hα-helixtrans-62.3-45.6177.6-174.5158.3000111.3F332 A333 L339 L340F332-L336 PolarHBondContact O-N 3.26Å; A333-L336 PolarHBondContact O-N 2.96Å; L336-L339 PolarHBondContact O-N 3.43Å; L336-L340 WeakPolarHBondContact O-CB 3.37Å; L336-L340 PolarHBondContact O-N 2.92Å
337I91.4Very high87.1Confident33 Ų3358.9 Ų58.917%0.16930%0.302CS..Hα-helixtrans-72.2-36.8-176.4-69.6172.7000111.4A333 F341 Y443 Y447A333-I337 WeakPolarHBondContact O-CB 3.3Å; A333-I337 VanDerWaalsContact O-CG1 3.29Å; A333-I337 WeakPolarHBondContact O-CG1 3.22Å; A333-I337 PolarHBondContact O-N 3.2Å; I337-F341 HydrophobicContact CG2-CD2 3.6Å; I337-F341 HydrophobicContact CG2-CE2 3.51Å; I337-F341 VanDerWaalsContact O-CD2 3.23Å; I337-F341 WeakPolarHBondContact O-CD2 3.48Å; I337-F341 PolarHBondContact O-N 3.26Å; I337-Y443 HydrophobicContact CG2-CE1 4.34Å; I337-Y447 HydrophobicContact CD1-CE1 4.2Å; I337-Y447 WeakPolarHBondContact CD1-OH 3.27Å
338M92.1Very high88.3Confident9 Ų957.1 Ų57.14%0.04429%0.287CS..Hα-helixtrans-56.4-57.3167.1178.7-1617000110.7A334 L340 F341 T342 Y436 H439 F440 Y443A334-M338 VanDerWaalsContact O-CB 3.22Å; A334-M338 WeakPolarHBondContact O-CB 3.32Å; A334-M338 PolarHBondContact O-N 3.07Å; M338-L340 VanDerWaalsContact C-N 3.28Å; M338-L340 PolarHBondContact O-N 3.36Å; M338-F341 PolarHBondContact O-N 3.07Å; M338-T342 PolarHBondContact O-N 3.47Å; M338-T342 PolarHBondContact O-OG1 2.79Å; M338-Y436 HydrophobicContact CE-CD1 3.81Å; M338-Y436 HydrophobicContact CE-CE1 4.38Å; M338-Y436 HydrophobicContact SD-CD1 4.41Å; M338-H439 HydrophobicContact SD-CB 4.29Å; M338-F440 HydrophobicContact CE-CB 4.28Å; M338-F440 WeakPolarHBondContact SD-CA 3.34Å; M338-F440 HydrophobicContact SD-CB 3.66Å; M338-F440 PolarHBondContact SD-N 2.88Å; M338-Y443 HydrophobicContact CB-CD1 3.88Å; M338-Y443 HydrophobicContact CB-CD2 3.86Å; M338-Y443 HydrophobicContact CB-CE1 4.17Å; M338-Y443 HydrophobicContact CB-CE2 4.15Å; M338-Y443 HydrophobicContact CB-CG 3.72Å; M338-Y443 HydrophobicContact CG-CD2 3.74Å; M338-Y443 HydrophobicContact CG-CE2 3.95Å; M338-Y443 HydrophobicContact CG-CG 4.11Å
339L92Very high88.8Confident86 Ų8647.2 Ų47.245%0.4525%0.251SS..Hα-helixtrans-56.5-42-178-73.9170000112.1A335 L336 F343 Y436A335-L339 WeakPolarHBondContact O-CB 3.49Å; A335-L339 VanDerWaalsContact O-CG 3.29Å; A335-L339 WeakPolarHBondContact O-CG 3.26Å; A335-L339 PolarHBondContact O-N 3.49Å; L336-L339 PolarHBondContact O-N 3.43Å; L339-F343 WeakPolarHBondContact O-CB 3.13Å; L339-F343 PolarHBondContact O-N 2.89Å; L339-Y436 HydrophobicContact CD2-CD1 4.28Å; L339-Y436 HydrophobicContact CD2-CE1 3.76Å
340L92.9Very high88.9Confident88 Ų8846.6 Ų46.646%0.46124%0.236SC..Hα-helixtrans-62.4-50.6176.9-171.7157.7000111.5L336 M338 F343 C344L336-L340 WeakPolarHBondContact O-CB 3.37Å; L336-L340 PolarHBondContact O-N 2.92Å; M338-L340 VanDerWaalsContact C-N 3.28Å; M338-L340 PolarHBondContact O-N 3.36Å; L340-F343 PolarHBondContact O-N 3.36Å; L340-C344 WeakPolarHBondContact O-CB 3.19Å; L340-C344 PolarHBondContact O-N 2.95Å; L340-C344 PolarHBondContact O-SG 3.13Å; L340-C344 VanDerWaalsContact O-SG 3.33Å
341F91.6Very high88.9Confident8 Ų851.1 Ų51.14%0.03525%0.253CS..Hα-helixtrans-66.5-46.2-179-78.9-54.2000112.7I337 M338 F343 C344 I345 M390 I393 M394 F397 Y443I337-F341 HydrophobicContact CG2-CD2 3.6Å; I337-F341 HydrophobicContact CG2-CE2 3.51Å; I337-F341 VanDerWaalsContact O-CD2 3.23Å; I337-F341 WeakPolarHBondContact O-CD2 3.48Å; I337-F341 PolarHBondContact O-N 3.26Å; M338-F341 PolarHBondContact O-N 3.07Å; F341-F343 VanDerWaalsContact C-N 3.33Å; F341-F343 PolarHBondContact O-N 3.05Å; F341-C344 PolarHBondContact O-N 3.2Å; F341-I345 WeakPolarHBondContact O-CB 3.48Å; F341-I345 WeakPolarHBondContact O-CD1 2.93Å; F341-I345 VanDerWaalsContact O-CG1 3.29Å; F341-I345 WeakPolarHBondContact O-CG1 3.28Å; F341-I345 PolarHBondContact O-N 3.44Å; F341-M390 HydrophobicContact CD1-CE 3.59Å; F341-M390 HydrophobicContact CE1-CE 3.96Å; F341-I393 HydrophobicContact CE1-CG2 3.98Å; F341-I393 HydrophobicContact CZ-CG2 4Å; F341-M394 HydrophobicContact CB-SD 4.39Å; F341-M394 HydrophobicContact CD1-CG 3.5Å; F341-M394 VanDerWaalsContact CD1-CG 3.5Å; F341-M394 HydrophobicContact CD1-SD 3.69Å; F341-M394 HydrophobicContact CD2-CG 4.18Å; F341-M394 HydrophobicContact CE1-CG 3.37Å; F341-M394 HydrophobicContact CE1-SD 4.16Å; F341-M394 HydrophobicContact CE2-CG 4.04Å; F341-M394 HydrophobicContact CG-CG 3.94Å; F341-M394 HydrophobicContact CG-SD 4.06Å; F341-M394 HydrophobicContact CZ-CG 3.67Å; F341-F397 AromaticContact CE2-CD2 3.92Å; F341-F397 HydrophobicContact CE2-CD2 3.92Å; F341-F397 HydrophobicContact CE2-CE2 4.37Å; F341-F397 HydrophobicContact CE2-CG 4.25Å; F341-F397 AromaticContact CZ-CD2 3.53Å; F341-F397 HydrophobicContact CZ-CD2 3.53Å; F341-F397 AromaticContact CZ-CE2 3.79Å; F341-F397 HydrophobicContact CZ-CE2 3.79Å; F341-F397 HydrophobicContact CZ-CG 4.31Å; F341-Y443 HydrophobicContact CD2-CE1 4.39Å
342T91.8Very high88.4Confident0 Ų048.5 Ų48.50%025%0.247CC..Hα-helixtrans-59.2-45.2176.2-45.30000110.9M338 I345 S346 I411 F435 Y436 H439 F565M338-T342 PolarHBondContact O-N 3.47Å; M338-T342 PolarHBondContact O-OG1 2.79Å; T342-I345 PolarHBondContact O-N 3.42Å; T342-S346 WeakPolarHBondContact O-CB 3.5Å; T342-S346 PolarHBondContact O-N 3.48Å; T342-S346 PolarHBondContact O-OG 3.34Å; T342-S346 VanDerWaalsContact O-OG 3.09Å; T342-I411 HydrophobicContact CG2-CD1 4.45Å; T342-I411 HydrophobicContact CG2-CG1 4.32Å; T342-I411 HydrophobicContact CG2-CG2 4.12Å; T342-F435 HydrophobicContact CG2-CE1 3.94Å; T342-F435 HydrophobicContact CG2-CZ 4.08Å; T342-Y436 HydrophobicContact CG2-CE1 4.26Å; T342-H439 PolarHBondContact OG1-NE2 2.91Å; T342-F565 HydrophobicContact CG2-CZ 3.95Å
343F90.3Very high87.6Confident104 Ų10444.2 Ų44.246%0.45624%0.235SC..Hα-helixtrans-62-47.2178179.6-107.9000112.8L339 L340 F341 I347L339-F343 WeakPolarHBondContact O-CB 3.13Å; L339-F343 PolarHBondContact O-N 2.89Å; L340-F343 PolarHBondContact O-N 3.36Å; F341-F343 VanDerWaalsContact C-N 3.33Å; F341-F343 PolarHBondContact O-N 3.05Å; F343-I347 HydrophobicContact CD1-CD1 3.84Å; F343-I347 HydrophobicContact CD2-CD1 4.14Å; F343-I347 HydrophobicContact CE1-CD1 3.45Å; F343-I347 VanDerWaalsContact CE1-CD1 3.45Å; F343-I347 HydrophobicContact CE2-CD1 3.79Å; F343-I347 HydrophobicContact CG-CD1 4.18Å; F343-I347 HydrophobicContact CZ-CD1 3.44Å; F343-I347 VanDerWaalsContact CZ-CD1 3.44Å; F343-I347 WeakPolarHBondContact O-CB 3.44Å; F343-I347 WeakPolarHBondContact O-CG1 3.33Å; F343-I347 PolarHBondContact O-N 3.28Å
344C91.5Very high87.2Confident41 Ų4146.1 Ų46.128%0.27724%0.238SC..Hα-helixtrans-63-42.1177.7-71.80000112.4L340 F341 I347 L348 M390L340-C344 WeakPolarHBondContact O-CB 3.19Å; L340-C344 PolarHBondContact O-N 2.95Å; L340-C344 PolarHBondContact O-SG 3.13Å; L340-C344 VanDerWaalsContact O-SG 3.33Å; F341-C344 PolarHBondContact O-N 3.2Å; C344-I347 PolarHBondContact O-N 3.13Å; C344-L348 WeakPolarHBondContact O-CG 3.47Å; C344-L348 PolarHBondContact O-N 2.94Å; C344-M390 HydrophobicContact CB-CE 3.56Å; C344-M390 HydrophobicContact CB-SD 4.39Å
345I89.2Confident86.5Confident0 Ų048.4 Ų48.40%025%0.249CC..Hα-helixtrans-67.6-47.5178.3-67161.8000110.7F341 T342 I347 L348 L349 M390 M394 I408 I411F341-I345 WeakPolarHBondContact O-CB 3.48Å; F341-I345 WeakPolarHBondContact O-CD1 2.93Å; F341-I345 VanDerWaalsContact O-CG1 3.29Å; F341-I345 WeakPolarHBondContact O-CG1 3.28Å; F341-I345 PolarHBondContact O-N 3.44Å; T342-I345 PolarHBondContact O-N 3.42Å; I345-I347 VanDerWaalsContact C-N 3.26Å; I345-I347 PolarHBondContact O-N 3.47Å; I345-L348 PolarHBondContact O-N 3.35Å; I345-L349 HydrophobicContact CG2-CD1 3.75Å; I345-L349 HydrophobicContact CG2-CG 4.18Å; I345-L349 WeakPolarHBondContact O-CG 3.4Å; I345-L349 PolarHBondContact O-N 3.21Å; I345-M390 HydrophobicContact CG1-CE 4.37Å; I345-M394 HydrophobicContact CD1-CE 4.07Å; I345-M394 HydrophobicContact CD1-SD 3.73Å; I345-I408 HydrophobicContact CD1-CG1 3.8Å; I345-I411 HydrophobicContact CB-CG2 4.08Å; I345-I411 HydrophobicContact CD1-CD1 3.55Å; I345-I411 HydrophobicContact CG2-CB 4.15Å; I345-I411 HydrophobicContact CG2-CG2 3.6Å
346S87.5Confident85.5Confident9 Ų950.7 Ų50.76%0.06326%0.257CS..Hα-helixtrans-60.3-33.6176.6-65.30000112.6T342 R350T342-S346 WeakPolarHBondContact O-CB 3.5Å; T342-S346 PolarHBondContact O-N 3.48Å; T342-S346 PolarHBondContact O-OG 3.34Å; T342-S346 VanDerWaalsContact O-OG 3.09Å; S346-R350 VanDerWaalsContact O-CB 3.3Å; S346-R350 WeakPolarHBondContact O-CB 3.37Å; S346-R350 PolarHBondContact O-N 3.3Å
347I87.2Confident84.5Confident85 Ų8550.4 Ų50.444%0.43626%0.259SS..Hα-helixtrans-66.7-44.3171.9-75.7169.6000111.7F343 C344 I345 L349 R350 Y351F343-I347 HydrophobicContact CD1-CD1 3.84Å; F343-I347 HydrophobicContact CD2-CD1 4.14Å; F343-I347 HydrophobicContact CE1-CD1 3.45Å; F343-I347 VanDerWaalsContact CE1-CD1 3.45Å; F343-I347 HydrophobicContact CE2-CD1 3.79Å; F343-I347 HydrophobicContact CG-CD1 4.18Å; F343-I347 HydrophobicContact CZ-CD1 3.44Å; F343-I347 VanDerWaalsContact CZ-CD1 3.44Å; F343-I347 WeakPolarHBondContact O-CB 3.44Å; F343-I347 WeakPolarHBondContact O-CG1 3.33Å; F343-I347 PolarHBondContact O-N 3.28Å; C344-I347 PolarHBondContact O-N 3.13Å; I345-I347 VanDerWaalsContact C-N 3.26Å; I345-I347 PolarHBondContact O-N 3.47Å; I347-L349 VanDerWaalsContact C-N 3.34Å; I347-L349 PolarHBondContact O-N 2.99Å; I347-R350 PolarHBondContact O-N 3.17Å; I347-Y351 VanDerWaalsContact O-CB 3.22Å; I347-Y351 WeakPolarHBondContact O-CB 3.29Å; I347-Y351 PolarHBondContact O-N 2.86Å
348L86.3Confident83.6Confident34 Ų3452.3 Ų52.318%0.17827%0.272CS..Hα-helixtrans-64.8-38.6177.5-70.6172.5000112C344 I345 S352 A386 L387 M390C344-L348 WeakPolarHBondContact O-CG 3.47Å; C344-L348 PolarHBondContact O-N 2.94Å; I345-L348 PolarHBondContact O-N 3.35Å; L348-S352 WeakPolarHBondContact O-CB 3.43Å; L348-S352 PolarHBondContact O-N 3.41Å; L348-A386 HydrophobicContact CD1-CB 4.02Å; L348-A386 HydrophobicContact CD2-CB 3.68Å; L348-A386 HydrophobicContact CG-CB 4.49Å; L348-L387 HydrophobicContact CB-CD2 4.27Å; L348-L387 HydrophobicContact CD1-CD2 4.29Å; L348-M390 HydrophobicContact CD1-CG 3.61Å
349L82.3Confident82.4Confident20 Ų2052.2 Ų52.211%0.10527%0.272CS..Hα-helixtrans-67.9-46175.3-67.4171.5000112I345 I347 S352 S353 D415I345-L349 HydrophobicContact CG2-CD1 3.75Å; I345-L349 HydrophobicContact CG2-CG 4.18Å; I345-L349 WeakPolarHBondContact O-CG 3.4Å; I345-L349 PolarHBondContact O-N 3.21Å; I347-L349 VanDerWaalsContact C-N 3.34Å; I347-L349 PolarHBondContact O-N 2.99Å; L349-S352 CarbonylContact O-C 3.49Å; L349-S352 WeakPolarHBondContact O-CA 3.44Å; L349-S352 VanDerWaalsContact O-CB 3.29Å; L349-S352 WeakPolarHBondContact O-CB 3.46Å; L349-S352 PolarHBondContact O-N 3.21Å; L349-S352 VanDerWaalsContact O-N 3.17Å; L349-S353 PolarHBondContact O-N 3.29Å; L349-D415 HydrophobicContact CD1-CB 4.1Å
350R82.1Confident81.4Confident68 Ų6850.8 Ų50.826%0.25726%0.264SS..Hα-helixtrans-66.7-35.9175.6-178.5167.3-70.1173.64.6112.7S346 I347 S352 S353 Q354 F565S346-R350 VanDerWaalsContact O-CB 3.3Å; S346-R350 WeakPolarHBondContact O-CB 3.37Å; S346-R350 PolarHBondContact O-N 3.3Å; I347-R350 PolarHBondContact O-N 3.17Å; R350-S352 VanDerWaalsContact C-N 3.34Å; R350-S353 PolarHBondContact O-N 3.45Å; R350-S353 PolarHBondContact O-OG 2.89Å; R350-Q354 WeakPolarHBondContact O-CB 3.15Å; R350-Q354 WeakPolarHBondContact O-CG 3.31Å; R350-Q354 PolarHBondContact O-N 3.42Å; R350-F565 PolarHBondContact NH1-O 3.05Å
351Y82.1Confident80.3Confident101 Ų10149.1 Ų49.140%0.39626%0.263SS..Hα-helixtrans-63-43.6170.7178.8-102.1000110.5I347 S353 Q354 Q355 V383I347-Y351 VanDerWaalsContact O-CB 3.22Å; I347-Y351 WeakPolarHBondContact O-CB 3.29Å; I347-Y351 PolarHBondContact O-N 2.86Å; Y351-S353 PolarHBondContact O-N 3.09Å; Y351-Q354 PolarHBondContact O-N 2.91Å; Y351-Q355 HydrophobicContact CD1-CG 4.12Å; Y351-Q355 HydrophobicContact CD2-CG 4.45Å; Y351-Q355 HydrophobicContact CE1-CG 3.76Å; Y351-Q355 HydrophobicContact CE2-CG 4.11Å; Y351-Q355 HydrophobicContact CG-CG 4.46Å; Y351-Q355 WeakPolarHBondContact O-CB 3.34Å; Y351-Q355 VanDerWaalsContact O-CG 3.27Å; Y351-Q355 WeakPolarHBondContact O-CG 3.24Å; Y351-Q355 PolarHBondContact O-N 3.13Å; Y351-Q355 PolarHBondContact OH-NE2 2.98Å; Y351-V383 HydrophobicContact CD1-CG2 3.86Å; Y351-V383 HydrophobicContact CE1-CG2 4.16Å
352S76.9Confident79.4Confident28 Ų2851.8 Ų51.820%0.19628%0.277CS..Hα-helixtrans-59-43.8173.6-168.50000112.6L348 L349 R350 Q355 L356L348-S352 WeakPolarHBondContact O-CB 3.43Å; L348-S352 PolarHBondContact O-N 3.41Å; L349-S352 CarbonylContact O-C 3.49Å; L349-S352 WeakPolarHBondContact O-CA 3.44Å; L349-S352 VanDerWaalsContact O-CB 3.29Å; L349-S352 WeakPolarHBondContact O-CB 3.46Å; L349-S352 PolarHBondContact O-N 3.21Å; L349-S352 VanDerWaalsContact O-N 3.17Å; R350-S352 VanDerWaalsContact C-N 3.34Å; S352-Q355 PolarHBondContact O-N 2.99Å; S352-L356 VanDerWaalsContact O-CB 3.22Å; S352-L356 WeakPolarHBondContact O-CB 3.36Å; S352-L356 PolarHBondContact O-N 2.77Å
353S73.7Confident78.3Confident59 Ų5954.7 Ų54.741%0.41329%0.292SS..Hα-helixtrans-68.7-37.9178.670.30000112.7L349 R350 Y351 L356 V357L349-S353 PolarHBondContact O-N 3.29Å; R350-S353 PolarHBondContact O-N 3.45Å; R350-S353 PolarHBondContact O-OG 2.89Å; Y351-S353 PolarHBondContact O-N 3.09Å; S353-L356 PolarHBondContact O-N 3.2Å; S353-V357 WeakPolarHBondContact O-CG2 3.39Å; S353-V357 PolarHBondContact O-N 3.08Å
354Q77.3Confident77.5Confident78 Ų7853 Ų5336%0.36429%0.287SS..Hα-helixtrans-62.7-46.8171.3-75.3176.4-24.400111.8R350 Y351 V357 V358 Y569R350-Q354 WeakPolarHBondContact O-CB 3.15Å; R350-Q354 WeakPolarHBondContact O-CG 3.31Å; R350-Q354 PolarHBondContact O-N 3.42Å; Y351-Q354 PolarHBondContact O-N 2.91Å; Q354-V357 PolarHBondContact O-N 3.24Å; Q354-V358 WeakPolarHBondContact O-CG2 3.43Å; Q354-V358 PolarHBondContact O-N 3.47Å; Q354-Y569 PolarHBondContact NE2-OH 3.04Å; Q354-Y569 VanDerWaalsContact NE2-OH 3.17Å
355Q76.8Confident76.5Confident49 Ų4956.7 Ų56.723%0.22930%0.301CS..Hα-helixtrans-61.4-44.2175.3-68.9-61.3-42.300111.3Y351 S352 V357 V358 V359 P379Y351-Q355 HydrophobicContact CD1-CG 4.12Å; Y351-Q355 HydrophobicContact CD2-CG 4.45Å; Y351-Q355 HydrophobicContact CE1-CG 3.76Å; Y351-Q355 HydrophobicContact CE2-CG 4.11Å; Y351-Q355 HydrophobicContact CG-CG 4.46Å; Y351-Q355 WeakPolarHBondContact O-CB 3.34Å; Y351-Q355 VanDerWaalsContact O-CG 3.27Å; Y351-Q355 WeakPolarHBondContact O-CG 3.24Å; Y351-Q355 PolarHBondContact O-N 3.13Å; Y351-Q355 PolarHBondContact OH-NE2 2.98Å; S352-Q355 PolarHBondContact O-N 2.99Å; Q355-V357 VanDerWaalsContact C-N 3.33Å; Q355-V357 PolarHBondContact O-N 3.25Å; Q355-V358 PolarHBondContact O-N 3.5Å; Q355-V359 WeakPolarHBondContact O-CG2 3.44Å; Q355-V359 PolarHBondContact O-N 2.83Å; Q355-P379 HydrophobicContact CB-CB 4.07Å; Q355-P379 HydrophobicContact CG-CB 3.95Å
356L69.5Low75.5Confident73 Ų7358.8 Ų58.838%0.38231%0.311SS..Hα-helixtrans-60.8-38.9177.3177.7146.6000112.2S352 S353 V359 I360 F380S352-L356 VanDerWaalsContact O-CB 3.22Å; S352-L356 WeakPolarHBondContact O-CB 3.36Å; S352-L356 PolarHBondContact O-N 2.77Å; S353-L356 PolarHBondContact O-N 3.2Å; L356-V359 PolarHBondContact O-N 3.45Å; L356-I360 HydrophobicContact CD2-CD1 3.57Å; L356-I360 HydrophobicContact CG-CD1 4.15Å; L356-I360 WeakPolarHBondContact O-CB 3.48Å; L356-I360 VanDerWaalsContact O-CG1 3.27Å; L356-I360 WeakPolarHBondContact O-CG1 3.4Å; L356-I360 PolarHBondContact O-N 2.93Å; L356-F380 HydrophobicContact CB-CE1 4.45Å
357V70.4Confident74.6Confident86 Ų8664.1 Ų64.152%0.52133%0.333SS..Hα-helixtrans-66.3-41.81741690000111.7S353 Q354 Q355 I360 A361S353-V357 WeakPolarHBondContact O-CG2 3.39Å; S353-V357 PolarHBondContact O-N 3.08Å; Q354-V357 PolarHBondContact O-N 3.24Å; Q355-V357 VanDerWaalsContact C-N 3.33Å; Q355-V357 PolarHBondContact O-N 3.25Å; V357-I360 PolarHBondContact O-N 2.94Å; V357-A361 WeakPolarHBondContact O-CB 3.45Å; V357-A361 PolarHBondContact O-N 3.36Å
358V71.9Confident73.9Confident73 Ų7366.6 Ų66.644%0.44234%0.343SS..Hα-helixtrans-62.4-46.8174.41730000110.8Q354 Q355 I360 A361 D362Q354-V358 WeakPolarHBondContact O-CG2 3.43Å; Q354-V358 PolarHBondContact O-N 3.47Å; Q355-V358 PolarHBondContact O-N 3.5Å; V358-I360 VanDerWaalsContact C-N 3.33Å; V358-I360 PolarHBondContact O-N 3.32Å; V358-A361 WeakPolarHBondContact O-CB 3.36Å; V358-A361 PolarHBondContact O-N 2.83Å; V358-A361 VanDerWaalsContact O-N 3.11Å; V358-D362 PolarHBondContact O-N 3.3Å
359V67.7Low73.1Confident7 Ų768 Ų684%0.04235%0.353CS..Hα-helixtrans-62.5-38.6177.8173.60000111.9Q355 L356 D362 I363 P376 P379 F380Q355-V359 WeakPolarHBondContact O-CG2 3.44Å; Q355-V359 PolarHBondContact O-N 2.83Å; L356-V359 PolarHBondContact O-N 3.45Å; V359-D362 PolarHBondContact O-N 3.07Å; V359-I363 HydrophobicContact CG1-CD1 3.69Å; V359-I363 HydrophobicContact CG1-CG1 4.33Å; V359-I363 WeakPolarHBondContact O-CB 3.33Å; V359-I363 WeakPolarHBondContact O-CG1 3.38Å; V359-I363 PolarHBondContact O-N 3.36Å; V359-P376 HydrophobicContact CB-CG 4.48Å; V359-P376 HydrophobicContact CG1-CG 4.22Å; V359-P376 HydrophobicContact CG2-CG 3.71Å; V359-P379 HydrophobicContact CG2-CG 4.45Å; V359-F380 HydrophobicContact CB-CE2 4.26Å; V359-F380 HydrophobicContact CB-CZ 4.2Å; V359-F380 HydrophobicContact CG1-CE2 3.97Å; V359-F380 HydrophobicContact CG1-CZ 4.15Å; V359-F380 HydrophobicContact CG2-CE2 3.9Å; V359-F380 HydrophobicContact CG2-CZ 4.15Å
360I69.4Low72Confident56 Ų5674.1 Ų74.129%0.28739%0.386SS..Hα-helixtrans-65.9-39.9174-73.1172.5000110.9M200 L356 V357 V358 I363 L364M200-I360 HydrophobicContact CE-CD1 3.97Å; M200-I360 HydrophobicContact CE-CG2 4.42Å; M200-I360 HydrophobicContact SD-CG2 4.45Å; L356-I360 HydrophobicContact CD2-CD1 3.57Å; L356-I360 HydrophobicContact CG-CD1 4.15Å; L356-I360 WeakPolarHBondContact O-CB 3.48Å; L356-I360 VanDerWaalsContact O-CG1 3.27Å; L356-I360 WeakPolarHBondContact O-CG1 3.4Å; L356-I360 PolarHBondContact O-N 2.93Å; V357-I360 PolarHBondContact O-N 2.94Å; V358-I360 VanDerWaalsContact C-N 3.33Å; V358-I360 PolarHBondContact O-N 3.32Å; I360-I363 PolarHBondContact O-N 2.82Å; I360-L364 HydrophobicContact CG2-CD1 3.89Å; I360-L364 HydrophobicContact CG2-CG 4.38Å; I360-L364 WeakPolarHBondContact O-CB 3.37Å; I360-L364 VanDerWaalsContact O-CG 3.25Å; I360-L364 WeakPolarHBondContact O-CG 3.35Å; I360-L364 PolarHBondContact O-N 3.38Å
361A71.5Confident70.9Confident53 Ų5374.8 Ų74.844%0.43840%0.398SS..Hα-helixtrans-63.8-45.5175.100000111.9V357 V358 I363 L364 Q365V357-A361 WeakPolarHBondContact O-CB 3.45Å; V357-A361 PolarHBondContact O-N 3.36Å; V358-A361 WeakPolarHBondContact O-CB 3.36Å; V358-A361 PolarHBondContact O-N 2.83Å; V358-A361 VanDerWaalsContact O-N 3.11Å; A361-I363 PolarHBondContact O-N 2.79Å; A361-L364 PolarHBondContact O-N 2.81Å; A361-Q365 WeakPolarHBondContact O-CB 3.31Å; A361-Q365 PolarHBondContact O-N 2.77Å
362D71Confident69.7Low63 Ų6376.2 Ų76.234%0.33742%0.422SS..Hα-helixtrans-59.7-44.8175.1-70.8-18.6000111.3V358 V359 Q365 M366V358-D362 PolarHBondContact O-N 3.3Å; V359-D362 PolarHBondContact O-N 3.07Å; D362-Q365 PolarHBondContact O-N 3.39Å; D362-M366 HydrophobicContact CB-CE 4.41Å; D362-M366 WeakPolarHBondContact O-CG 3.35Å; D362-M366 PolarHBondContact O-N 3.2Å
363I69.6Low68.7Low62 Ų6282.4 Ų82.432%0.31845%0.446SS..Hα-helixtrans-64.5-44.2177.7-73.2169.4000111.2V359 I360 A361 Q365 M366 F367V359-I363 HydrophobicContact CG1-CD1 3.69Å; V359-I363 HydrophobicContact CG1-CG1 4.33Å; V359-I363 WeakPolarHBondContact O-CB 3.33Å; V359-I363 WeakPolarHBondContact O-CG1 3.38Å; V359-I363 PolarHBondContact O-N 3.36Å; I360-I363 PolarHBondContact O-N 2.82Å; A361-I363 PolarHBondContact O-N 2.79Å; I363-Q365 VanDerWaalsContact C-N 3.29Å; I363-Q365 PolarHBondContact O-N 3.1Å; I363-M366 PolarHBondContact O-N 3.33Å; I363-F367 HydrophobicContact CG2-CD2 3.9Å; I363-F367 HydrophobicContact CG2-CE2 3.59Å; I363-F367 WeakPolarHBondContact O-CD2 3.35Å; I363-F367 PolarHBondContact O-N 2.7Å
364L72.8Confident68Low67 Ų6782.1 Ų82.135%0.35145%0.452SS..Hα-helixtrans-61.7-39.1174.5-73.7169.7000111.3L196 I360 A361 F367 E368L196-L364 HydrophobicContact CD1-CD1 4.17Å; L196-L364 HydrophobicContact CD1-CD2 4.44Å; I360-L364 HydrophobicContact CG2-CD1 3.89Å; I360-L364 HydrophobicContact CG2-CG 4.38Å; I360-L364 WeakPolarHBondContact O-CB 3.37Å; I360-L364 VanDerWaalsContact O-CG 3.25Å; I360-L364 WeakPolarHBondContact O-CG 3.35Å; I360-L364 PolarHBondContact O-N 3.38Å; A361-L364 PolarHBondContact O-N 2.81Å; L364-F367 PolarHBondContact O-N 3.05Å; L364-E368 PolarHBondContact O-N 3.31Å
365Q70.3Confident67.2Low120 Ų12084.2 Ų84.256%0.56147%0.465SS*.Hα-helixtrans-65.4-40.5174.1-175172.9-26.100111.7A361 D362 I363 F367 E368 T369A361-Q365 WeakPolarHBondContact O-CB 3.31Å; A361-Q365 PolarHBondContact O-N 2.77Å; D362-Q365 PolarHBondContact O-N 3.39Å; I363-Q365 VanDerWaalsContact C-N 3.29Å; I363-Q365 PolarHBondContact O-N 3.1Å; Q365-F367 VanDerWaalsContact C-N 3.28Å; Q365-F367 PolarHBondContact O-N 3.19Å; Q365-E368 PolarHBondContact O-N 3.25Å; Q365-E368 VanDerWaalsContact O-N 3.08Å; Q365-T369 HydrophobicContact CG-CG2 4Å; Q365-T369 WeakPolarHBondContact O-CG2 3.24Å; Q365-T369 PolarHBondContact O-N 2.85Å; Q365-T369 PolarHBondContact O-OG1 2.76Å
366M68.8Low66.6Low43 Ų4383.7 Ų83.721%0.21247%0.466CS..Hα-helixtrans-60.4-36.7173.3-69.3-177.1-142.800112.3D362 I363 N370 F373D362-M366 HydrophobicContact CB-CE 4.41Å; D362-M366 WeakPolarHBondContact O-CG 3.35Å; D362-M366 PolarHBondContact O-N 3.2Å; I363-M366 PolarHBondContact O-N 3.33Å; M366-N370 WeakPolarHBondContact O-CA 3.25Å; M366-N370 PolarHBondContact O-N 3.49Å; M366-F373 HydrophobicContact CE-CB 3.92Å; M366-F373 HydrophobicContact CE-CD1 4.32Å; M366-F373 HydrophobicContact CG-CB 4.45Å; M366-F373 HydrophobicContact SD-CB 3.97Å
367F68.9Low66.5Low121 Ų12184 Ų8453%0.53147%0.471SS..Hα-helixtrans-69.4-30.4173.3-76.6-63.9000113.4F155 I363 L364 Q365F155-F367 HydrophobicContact CE1-CZ 4.03Å; F155-F367 HydrophobicContact CZ-CE1 4.31Å; F155-F367 AromaticContact CZ-CE2 3.81Å; F155-F367 HydrophobicContact CZ-CE2 3.81Å; F155-F367 AromaticContact CZ-CZ 3.56Å; F155-F367 HydrophobicContact CZ-CZ 3.56Å; I363-F367 HydrophobicContact CG2-CD2 3.9Å; I363-F367 HydrophobicContact CG2-CE2 3.59Å; I363-F367 WeakPolarHBondContact O-CD2 3.35Å; I363-F367 PolarHBondContact O-N 2.7Å; L364-F367 PolarHBondContact O-N 3.05Å; Q365-F367 VanDerWaalsContact C-N 3.28Å; Q365-F367 PolarHBondContact O-N 3.19Å
368E73.1Confident66.5Low137 Ų13783.2 Ų83.264%0.6447%0.473SS*.Hα-helixtrans-82.5-32.3176.4-166.8154.8-129.200112.7K192 L364 Q365K192-E368 IonicContact NZ-OE1 2.67Å; L364-E368 PolarHBondContact O-N 3.31Å; Q365-E368 PolarHBondContact O-N 3.25Å; Q365-E368 VanDerWaalsContact O-N 3.08Å
369T68.4Low66.4Low65 Ų6580.6 Ų80.640%0.39946%0.458SS..Hα-helixtrans-98.4-11.1-176.7630000115.2Q365 T371Q365-T369 HydrophobicContact CG-CG2 4Å; Q365-T369 WeakPolarHBondContact O-CG2 3.24Å; Q365-T369 PolarHBondContact O-N 2.85Å; Q365-T369 PolarHBondContact O-OG1 2.76Å; T369-T371 PolarHBondContact O-N 2.92Å; T369-T371 VanDerWaalsContact O-N 3.11Å; T369-T371 PolarHBondContact OG1-OG1 2.88Å
370N59.7Low66.5Low147 Ų14783.4 Ų83.479%0.78647%0.47SS*.  trans55.918.2-173.7-67.9-86.1000114.9M366M366-N370 WeakPolarHBondContact O-CA 3.25Å; M366-N370 PolarHBondContact O-N 3.49Å
371T59.4Low66.8Low82 Ų8285.3 Ų85.350%0.50348%0.478SS..  trans-84.8118.6-179.650.70000111.2T369 F373T369-T371 PolarHBondContact O-N 2.92Å; T369-T371 VanDerWaalsContact O-N 3.11Å; T369-T371 PolarHBondContact OG1-OG1 2.88Å; T371-F373 PolarHBondContact O-N 2.92Å
372S56.3Low67.3Low131 Ų13186.5 Ų86.592%0.91648%0.48SS*.  trans-66.7100.4171.6-178.50000110.4
373F55.4Low67.7Low158 Ų15883.9 Ų83.969%0.69347%0.467SS*.  trans-121151.9175.8-155.5-95.2000110.1M366 T371M366-F373 HydrophobicContact CE-CB 3.92Å; M366-F373 HydrophobicContact CE-CD1 4.32Å; M366-F373 HydrophobicContact CG-CB 4.45Å; M366-F373 HydrophobicContact SD-CB 3.97Å; T371-F373 PolarHBondContact O-N 2.92Å
374G59Low68.3Low53 Ų5384.5 Ų84.555%0.54647%0.47SS..  trans-70.7135.5-175.800000112P376G374-P376 WeakPolarHBondContact O-CD 3.4Å
375I61.2Low68.9Low122 Ų12286.6 Ų86.663%0.62648%0.48SS*.  trans-58.2124.2173.3-57.1174.5000108.5V377I375-V377 HydrophobicContact CB-CG2 4.14Å; I375-V377 HydrophobicContact CG2-CG2 3.8Å; I375-V377 PolarHBondContact O-N 3.02Å
376P64.2Low69.7Low39 Ų3982.2 Ų82.225%0.25347%0.465SS..  trans-73.476.6174.831.2-36.6000110.6V359 G374 A378 P379V359-P376 HydrophobicContact CB-CG 4.48Å; V359-P376 HydrophobicContact CG1-CG 4.22Å; V359-P376 HydrophobicContact CG2-CG 3.71Å; G374-P376 WeakPolarHBondContact O-CD 3.4Å; P376-A378 VanDerWaalsContact C-N 3.26Å; P376-A378 PolarHBondContact O-N 3.46Å; P376-P379 HydrophobicContact CB-CG 4.48Å; P376-P379 VanDerWaalsContact O-CD 3.27Å; P376-P379 WeakPolarHBondContact O-CD 3.42Å; P376-P379 WeakPolarHBondContact O-CG 3.26Å
377V67.8Low70.5Confident79 Ų7982 Ų8248%0.47947%0.465SS..  trans-71.1-23.6176.9178.10000111.8I375 F380 M381I375-V377 HydrophobicContact CB-CG2 4.14Å; I375-V377 HydrophobicContact CG2-CG2 3.8Å; I375-V377 PolarHBondContact O-N 3.02Å; V377-F380 PolarHBondContact O-N 3.32Å; V377-M381 HydrophobicContact CG1-CG 3.87Å; V377-M381 PolarHBondContact O-N 3.03Å; V377-M381 VanDerWaalsContact O-N 3.16Å
378A70.3Confident71.4Confident70 Ų7078.4 Ų78.458%0.57945%0.452SS*.Hα-helixtrans-51.6-52.4-177.900000115.2P376 F380 M381 T382P376-A378 VanDerWaalsContact C-N 3.26Å; P376-A378 PolarHBondContact O-N 3.46Å; A378-F380 VanDerWaalsContact C-N 3.34Å; A378-F380 PolarHBondContact O-N 2.97Å; A378-M381 PolarHBondContact O-N 3.38Å; A378-T382 PolarHBondContact O-N 3Å; A378-T382 PolarHBondContact O-OG1 3.45Å
379P69.7Low72.2Confident18 Ų1874.1 Ų74.112%0.11744%0.44CS..Hα-helixtrans-59.8-36.3178.220.7-34.4000114.3Q355 V359 P376 T382 V383Q355-P379 HydrophobicContact CB-CB 4.07Å; Q355-P379 HydrophobicContact CG-CB 3.95Å; V359-P379 HydrophobicContact CG2-CG 4.45Å; P376-P379 HydrophobicContact CB-CG 4.48Å; P376-P379 VanDerWaalsContact O-CD 3.27Å; P376-P379 WeakPolarHBondContact O-CD 3.42Å; P376-P379 WeakPolarHBondContact O-CG 3.26Å; P379-T382 WeakPolarHBondContact CA-OG1 3.43Å; P379-T382 PolarHBondContact O-N 2.77Å; P379-T382 PolarHBondContact O-OG1 2.98Å; P379-V383 WeakPolarHBondContact O-CG2 3.5Å; P379-V383 PolarHBondContact O-N 3.13Å
380F69.2Low73.2Confident66 Ų6672.2 Ų72.229%0.28943%0.427SS..Hα-helixtrans-67.4-42.2176.1-63.1-75.4000111.4L356 V359 V377 A378 T382 V383 I384L356-F380 HydrophobicContact CB-CE1 4.45Å; V359-F380 HydrophobicContact CB-CE2 4.26Å; V359-F380 HydrophobicContact CB-CZ 4.2Å; V359-F380 HydrophobicContact CG1-CE2 3.97Å; V359-F380 HydrophobicContact CG1-CZ 4.15Å; V359-F380 HydrophobicContact CG2-CE2 3.9Å; V359-F380 HydrophobicContact CG2-CZ 4.15Å; V377-F380 PolarHBondContact O-N 3.32Å; A378-F380 VanDerWaalsContact C-N 3.34Å; A378-F380 PolarHBondContact O-N 2.97Å; F380-T382 PolarHBondContact O-N 3.26Å; F380-V383 PolarHBondContact O-N 3.49Å; F380-I384 WeakPolarHBondContact O-CB 3.26Å; F380-I384 WeakPolarHBondContact O-CD1 3.34Å; F380-I384 VanDerWaalsContact O-CG1 3.27Å; F380-I384 WeakPolarHBondContact O-CG1 3.42Å; F380-I384 PolarHBondContact O-N 3.49Å
381M77.1Confident74.6Confident96 Ų9667 Ų6747%0.47340%0.398SS..Hα-helixtrans-63.9-39.1176.8-65-58.5-60.800112.1V377 A378 L385V377-M381 HydrophobicContact CG1-CG 3.87Å; V377-M381 PolarHBondContact O-N 3.03Å; V377-M381 VanDerWaalsContact O-N 3.16Å; A378-M381 PolarHBondContact O-N 3.38Å; M381-L385 VanDerWaalsContact O-CB 3.32Å; M381-L385 WeakPolarHBondContact O-CB 3.49Å; M381-L385 WeakPolarHBondContact O-CD1 3.41Å; M381-L385 WeakPolarHBondContact O-CG 3.27Å; M381-L385 PolarHBondContact O-N 2.68Å
382T81.7Confident76.1Confident78 Ų7866.7 Ų66.748%0.47940%0.396SS..Hα-helixtrans-69.1-37.8176.6560000112.4A378 P379 F380 A386A378-T382 PolarHBondContact O-N 3Å; A378-T382 PolarHBondContact O-OG1 3.45Å; P379-T382 WeakPolarHBondContact CA-OG1 3.43Å; P379-T382 PolarHBondContact O-N 2.77Å; P379-T382 PolarHBondContact O-OG1 2.98Å; F380-T382 PolarHBondContact O-N 3.26Å; T382-A386 VanDerWaalsContact O-CB 3.24Å; T382-A386 WeakPolarHBondContact O-CB 3.29Å; T382-A386 PolarHBondContact O-N 2.96Å
383V79.6Confident77.7Confident8 Ų864 Ų645%0.04837%0.371CS..Hα-helixtrans-63.4-49.2173.2168.60000111.5Y351 P379 F380 L385 A386 L387Y351-V383 HydrophobicContact CD1-CG2 3.86Å; Y351-V383 HydrophobicContact CE1-CG2 4.16Å; P379-V383 WeakPolarHBondContact O-CG2 3.5Å; P379-V383 PolarHBondContact O-N 3.13Å; F380-V383 PolarHBondContact O-N 3.49Å; V383-L385 PolarHBondContact O-N 3.42Å; V383-A386 PolarHBondContact O-N 3.35Å; V383-L387 HydrophobicContact CG1-CD1 4.07Å; V383-L387 HydrophobicContact CG1-CG 4.5Å; V383-L387 WeakPolarHBondContact O-CG 3.17Å; V383-L387 PolarHBondContact O-N 3.14Å
384I80.5Confident79.2Confident75 Ų7556.5 Ų56.539%0.38534%0.338SS..Hα-helixtrans-61-46.9-179.3-68.4162.9000110.2W137 F380 A386 L387 V388W137-I384 HydrophobicContact CH2-CG2 4.32Å; W137-I384 HydrophobicContact CZ3-CG2 4.45Å; F380-I384 WeakPolarHBondContact O-CB 3.26Å; F380-I384 WeakPolarHBondContact O-CD1 3.34Å; F380-I384 VanDerWaalsContact O-CG1 3.27Å; F380-I384 WeakPolarHBondContact O-CG1 3.42Å; F380-I384 PolarHBondContact O-N 3.49Å; I384-A386 VanDerWaalsContact C-N 3.31Å; I384-A386 PolarHBondContact O-N 3.05Å; I384-L387 PolarHBondContact O-N 3.07Å; I384-V388 WeakPolarHBondContact O-CG2 3.14Å; I384-V388 PolarHBondContact O-N 3.07Å
385L86Confident80.5Confident110 Ų11055.3 Ų55.358%0.57632%0.322SS*.Hα-helixtrans-63.8-34.3176.7-69.9170.4000112.7M381 V383 A389M381-L385 VanDerWaalsContact O-CB 3.32Å; M381-L385 WeakPolarHBondContact O-CB 3.49Å; M381-L385 WeakPolarHBondContact O-CD1 3.41Å; M381-L385 WeakPolarHBondContact O-CG 3.27Å; M381-L385 PolarHBondContact O-N 2.68Å; V383-L385 PolarHBondContact O-N 3.42Å; L385-A389 WeakPolarHBondContact O-CB 2.97Å; L385-A389 PolarHBondContact O-N 3.42Å
386A87.1Confident81.8Confident29 Ų2957.2 Ų57.224%0.2433%0.328CS..Hα-helixtrans-68.9-40.2174.600000112.3L348 T382 V383 I384 A389 M390L348-A386 HydrophobicContact CD1-CB 4.02Å; L348-A386 HydrophobicContact CD2-CB 3.68Å; L348-A386 HydrophobicContact CG-CB 4.49Å; T382-A386 VanDerWaalsContact O-CB 3.24Å; T382-A386 WeakPolarHBondContact O-CB 3.29Å; T382-A386 PolarHBondContact O-N 2.96Å; V383-A386 PolarHBondContact O-N 3.35Å; I384-A386 VanDerWaalsContact C-N 3.31Å; I384-A386 PolarHBondContact O-N 3.05Å; A386-A389 PolarHBondContact O-N 2.88Å; A386-M390 VanDerWaalsContact O-CG 3.31Å; A386-M390 WeakPolarHBondContact O-CG 3.34Å; A386-M390 PolarHBondContact O-N 3.46Å
387L85.7Confident82.7Confident38 Ų3859.9 Ų59.920%0.19934%0.336CS..Hα-helixtrans-65-42.5174.6-70.7172.8000111.7L348 V383 I384 A389 M390 E391 I408L348-L387 HydrophobicContact CB-CD2 4.27Å; L348-L387 HydrophobicContact CD1-CD2 4.29Å; V383-L387 HydrophobicContact CG1-CD1 4.07Å; V383-L387 HydrophobicContact CG1-CG 4.5Å; V383-L387 WeakPolarHBondContact O-CG 3.17Å; V383-L387 PolarHBondContact O-N 3.14Å; I384-L387 PolarHBondContact O-N 3.07Å; L387-A389 VanDerWaalsContact C-N 3.32Å; L387-A389 PolarHBondContact O-N 2.86Å; L387-M390 PolarHBondContact O-N 2.87Å; L387-E391 WeakPolarHBondContact O-CB 3.4Å; L387-E391 PolarHBondContact O-N 3.5Å; L387-I408 HydrophobicContact CD2-CG2 4.43Å
388V88.1Confident83.5Confident45 Ų4556.8 Ų56.827%0.27332%0.315SS..Hα-helixtrans-63.7-35.7173.4173.40000112.2W137 I384 E391 T392W137-V388 HydrophobicContact CH2-CG2 3.53Å; W137-V388 HydrophobicContact CZ2-CG2 3.6Å; I384-V388 WeakPolarHBondContact O-CG2 3.14Å; I384-V388 PolarHBondContact O-N 3.07Å; V388-E391 PolarHBondContact O-N 2.91Å; V388-T392 WeakPolarHBondContact O-CB 3.35Å; V388-T392 PolarHBondContact O-N 2.97Å; V388-T392 PolarHBondContact O-OG1 3.18Å
389A90.5Very high83.7Confident47 Ų4756.7 Ų56.739%0.38832%0.322SS..Hα-helixtrans-66.7-41.7173.400000111.6L385 A386 L387 T392 I393L385-A389 WeakPolarHBondContact O-CB 2.97Å; L385-A389 PolarHBondContact O-N 3.42Å; A386-A389 PolarHBondContact O-N 2.88Å; L387-A389 VanDerWaalsContact C-N 3.32Å; L387-A389 PolarHBondContact O-N 2.86Å; A389-T392 PolarHBondContact O-N 3.4Å; A389-I393 WeakPolarHBondContact O-CB 3.3Å; A389-I393 WeakPolarHBondContact O-CD1 3.48Å; A389-I393 VanDerWaalsContact O-CG1 3.22Å; A389-I393 WeakPolarHBondContact O-CG1 3.16Å; A389-I393 PolarHBondContact O-N 3.27Å
390M89.3Confident84Confident25 Ų2558.2 Ų58.212%0.12333%0.329CS..Hα-helixtrans-65-40.9174.6-69.5-61.2-6400112.1F341 C344 I345 L348 A386 L387 I393 M394F341-M390 HydrophobicContact CD1-CE 3.59Å; F341-M390 HydrophobicContact CE1-CE 3.96Å; C344-M390 HydrophobicContact CB-CE 3.56Å; C344-M390 HydrophobicContact CB-SD 4.39Å; I345-M390 HydrophobicContact CG1-CE 4.37Å; L348-M390 HydrophobicContact CD1-CG 3.61Å; A386-M390 VanDerWaalsContact O-CG 3.31Å; A386-M390 WeakPolarHBondContact O-CG 3.34Å; A386-M390 PolarHBondContact O-N 3.46Å; L387-M390 PolarHBondContact O-N 2.87Å; M390-I393 PolarHBondContact O-N 2.87Å; M390-M394 VanDerWaalsContact O-CB 3.31Å; M390-M394 WeakPolarHBondContact O-CB 3.39Å; M390-M394 VanDerWaalsContact O-CG 3.24Å; M390-M394 WeakPolarHBondContact O-CG 3.43Å; M390-M394 PolarHBondContact O-N 3.38Å
391E88.8Confident84.6Confident38 Ų3858.3 Ų58.318%0.17834%0.337CS..Hα-helixtrans-60.6-49.8173.9-172.2-175.6172.100111.5L387 V388 I393 M394 S395 A404 I408L387-E391 WeakPolarHBondContact O-CB 3.4Å; L387-E391 PolarHBondContact O-N 3.5Å; V388-E391 PolarHBondContact O-N 2.91Å; E391-I393 PolarHBondContact O-N 3.07Å; E391-M394 PolarHBondContact O-N 3.1Å; E391-S395 WeakPolarHBondContact O-CB 3.35Å; E391-S395 PolarHBondContact O-N 2.9Å; E391-A404 HydrophobicContact CG-CB 4.32Å; E391-I408 HydrophobicContact CB-CD1 3.62Å; E391-I408 HydrophobicContact CG-CD1 4.14Å
392T90.2Very high84.9Confident76 Ų7658.2 Ų58.247%0.46634%0.338SS..Hα-helixtrans-53.3-52.4174.7-57.80000110.8V388 A389 M394 S395 E396V388-T392 WeakPolarHBondContact O-CB 3.35Å; V388-T392 PolarHBondContact O-N 2.97Å; V388-T392 PolarHBondContact O-OG1 3.18Å; A389-T392 PolarHBondContact O-N 3.4Å; T392-M394 PolarHBondContact O-N 2.89Å; T392-S395 PolarHBondContact O-N 3.47Å; T392-S395 PolarHBondContact O-OG 3.25Å; T392-E396 PolarHBondContact O-N 2.94Å
393I90.9Very high85Confident74 Ų7454.6 Ų54.638%0.37932%0.316SS..Hα-helixtrans-59-47.1178-68.6164000111F341 A389 M390 E391 S395 E396 F397F341-I393 HydrophobicContact CE1-CG2 3.98Å; F341-I393 HydrophobicContact CZ-CG2 4Å; A389-I393 WeakPolarHBondContact O-CB 3.3Å; A389-I393 WeakPolarHBondContact O-CD1 3.48Å; A389-I393 VanDerWaalsContact O-CG1 3.22Å; A389-I393 WeakPolarHBondContact O-CG1 3.16Å; A389-I393 PolarHBondContact O-N 3.27Å; M390-I393 PolarHBondContact O-N 2.87Å; E391-I393 PolarHBondContact O-N 3.07Å; I393-S395 VanDerWaalsContact C-N 3.31Å; I393-S395 PolarHBondContact O-N 3.18Å; I393-E396 PolarHBondContact O-N 3.44Å; I393-F397 HydrophobicContact CG2-CD2 4.03Å; I393-F397 HydrophobicContact CG2-CE2 3.8Å; I393-F397 VanDerWaalsContact O-CD2 3.26Å; I393-F397 WeakPolarHBondContact O-CD2 3.32Å; I393-F397 PolarHBondContact O-N 3.18Å
394M87.3Confident85.4Confident0 Ų054.2 Ų54.20%031%0.314CS..Hα-helixtrans-65.7-33.1-179.3-75.6166.85900112.7F341 I345 M390 E391 T392 E396 F397 F398 A404 V407 I408F341-M394 HydrophobicContact CB-SD 4.39Å; F341-M394 HydrophobicContact CD1-CG 3.5Å; F341-M394 VanDerWaalsContact CD1-CG 3.5Å; F341-M394 HydrophobicContact CD1-SD 3.69Å; F341-M394 HydrophobicContact CD2-CG 4.18Å; F341-M394 HydrophobicContact CE1-CG 3.37Å; F341-M394 HydrophobicContact CE1-SD 4.16Å; F341-M394 HydrophobicContact CE2-CG 4.04Å; F341-M394 HydrophobicContact CG-CG 3.94Å; F341-M394 HydrophobicContact CG-SD 4.06Å; F341-M394 HydrophobicContact CZ-CG 3.67Å; I345-M394 HydrophobicContact CD1-CE 4.07Å; I345-M394 HydrophobicContact CD1-SD 3.73Å; M390-M394 VanDerWaalsContact O-CB 3.31Å; M390-M394 WeakPolarHBondContact O-CB 3.39Å; M390-M394 VanDerWaalsContact O-CG 3.24Å; M390-M394 WeakPolarHBondContact O-CG 3.43Å; M390-M394 PolarHBondContact O-N 3.38Å; E391-M394 PolarHBondContact O-N 3.1Å; T392-M394 PolarHBondContact O-N 2.89Å; M394-E396 VanDerWaalsContact C-N 3.31Å; M394-E396 PolarHBondContact O-N 2.83Å; M394-F397 PolarHBondContact O-N 3.35Å; M394-F397 VanDerWaalsContact O-N 3.14Å; M394-F398 HydrophobicContact CB-CD2 4.26Å; M394-F398 HydrophobicContact CB-CE2 4.17Å; M394-F398 HydrophobicContact CE-CE2 3.93Å; M394-F398 VanDerWaalsContact O-CD2 3.23Å; M394-F398 WeakPolarHBondContact O-CD2 3.3Å; M394-F398 PolarHBondContact O-N 3.13Å; M394-A404 HydrophobicContact CB-CB 3.73Å; M394-V407 HydrophobicContact CE-CB 3.81Å; M394-V407 HydrophobicContact CE-CG1 3.47Å; M394-V407 VanDerWaalsContact CE-CG1 3.47Å; M394-I408 HydrophobicContact CE-CD1 4.4Å; M394-I408 HydrophobicContact CE-CG1 3.83Å; M394-I408 HydrophobicContact SD-CD1 4.2Å; M394-I408 HydrophobicContact SD-CG1 4.02Å
395S86.1Confident85.7Confident29 Ų2953.2 Ų53.220%0.20331%0.306CS..Hα-helixtrans-63.4-35.2174.978.70000112.2E391 T392 I393 F397 G399 D400E391-S395 WeakPolarHBondContact O-CB 3.35Å; E391-S395 PolarHBondContact O-N 2.9Å; T392-S395 PolarHBondContact O-N 3.47Å; T392-S395 PolarHBondContact O-OG 3.25Å; I393-S395 VanDerWaalsContact C-N 3.31Å; I393-S395 PolarHBondContact O-N 3.18Å; S395-F397 VanDerWaalsContact C-N 3.35Å; S395-G399 VanDerWaalsContact O-CA 3.26Å; S395-G399 WeakPolarHBondContact O-CA 3.33Å; S395-G399 PolarHBondContact O-N 3.37Å; S395-D400 PolarHBondContact O-N 3.43Å
396E86.8Confident85.7Confident161 Ų16150.3 Ų50.375%0.75229%0.288SS*.Hα-helixtrans-66.8-35.4172.9-66.3-169.5169.300112.1T392 I393 M394T392-E396 PolarHBondContact O-N 2.94Å; I393-E396 PolarHBondContact O-N 3.44Å; M394-E396 VanDerWaalsContact C-N 3.31Å; M394-E396 PolarHBondContact O-N 2.83Å
397F85Confident85.8Confident96 Ų9649 Ų4942%0.42128%0.277SS..Hα-helixtrans-75.8-38.5178.3-79.7-75.9000113.7F341 I393 M394 S395 H446F341-F397 AromaticContact CE2-CD2 3.92Å; F341-F397 HydrophobicContact CE2-CD2 3.92Å; F341-F397 HydrophobicContact CE2-CE2 4.37Å; F341-F397 HydrophobicContact CE2-CG 4.25Å; F341-F397 AromaticContact CZ-CD2 3.53Å; F341-F397 HydrophobicContact CZ-CD2 3.53Å; F341-F397 AromaticContact CZ-CE2 3.79Å; F341-F397 HydrophobicContact CZ-CE2 3.79Å; F341-F397 HydrophobicContact CZ-CG 4.31Å; I393-F397 HydrophobicContact CG2-CD2 4.03Å; I393-F397 HydrophobicContact CG2-CE2 3.8Å; I393-F397 VanDerWaalsContact O-CD2 3.26Å; I393-F397 WeakPolarHBondContact O-CD2 3.32Å; I393-F397 PolarHBondContact O-N 3.18Å; M394-F397 PolarHBondContact O-N 3.35Å; M394-F397 VanDerWaalsContact O-N 3.14Å; S395-F397 VanDerWaalsContact C-N 3.35Å; F397-H446 PolarHBondContact O-NE2 3.17Å
398F83.1Confident85.9Confident13 Ų1348.1 Ų48.16%0.05727%0.273CS..Hα-helixtrans-83-27.3177.1-64.5-55000112.7M394 D400 T403 A404 V407 F442 Y443 H446M394-F398 HydrophobicContact CB-CD2 4.26Å; M394-F398 HydrophobicContact CB-CE2 4.17Å; M394-F398 HydrophobicContact CE-CE2 3.93Å; M394-F398 VanDerWaalsContact O-CD2 3.23Å; M394-F398 WeakPolarHBondContact O-CD2 3.3Å; M394-F398 PolarHBondContact O-N 3.13Å; F398-D400 VanDerWaalsContact C-N 3.32Å; F398-T403 WeakPolarHBondContact CB-OG1 3.38Å; F398-A404 HydrophobicContact CD2-CB 4.12Å; F398-V407 HydrophobicContact CE2-CB 4.31Å; F398-V407 HydrophobicContact CE2-CG1 4.48Å; F398-V407 HydrophobicContact CE2-CG2 4.02Å; F398-V407 HydrophobicContact CZ-CG1 4.47Å; F398-V407 HydrophobicContact CZ-CG2 4.01Å; F398-F442 AromaticContact CE1-CE1 3.93Å; F398-F442 HydrophobicContact CE1-CE1 3.93Å; F398-F442 HydrophobicContact CE1-CZ 4.32Å; F398-F442 HydrophobicContact CZ-CE1 4.07Å; F398-Y443 HydrophobicContact CE1-CD1 4.37Å; F398-Y443 HydrophobicContact CE1-CE1 4.01Å; F398-Y443 AromaticContact CZ-CE1 3.77Å; F398-Y443 HydrophobicContact CZ-CE1 3.77Å; F398-Y443 HydrophobicContact CZ-CE2 4.41Å; F398-Y443 AromaticContact CZ-CZ 3.71Å; F398-H446 WeakPolarHBondContact CA-NE2 3.32Å; F398-H446 AromaticContact CD1-CD2 3.69Å; F398-H446 AromaticContact CD1-CG 3.92Å; F398-H446 AromaticContact CD1-ND1 3.98Å; F398-H446 PolarHBondContact O-NE2 3.05Å
399G74.4Confident85.8Confident69 Ų6947.3 Ų47.371%0.71127%0.267SS*.THydrogen-bonded Turntrans81.311.4-171.900000113.8S395S395-G399 VanDerWaalsContact O-CA 3.26Å; S395-G399 WeakPolarHBondContact O-CA 3.33Å; S395-G399 PolarHBondContact O-N 3.37Å
400D76.5Confident85.7Confident50 Ų5045.3 Ų45.327%0.26725%0.249SC..  trans-157.4118.7-170.8172.45.7000109.5S395 F398 I402 T403 A404S395-D400 PolarHBondContact O-N 3.43Å; F398-D400 VanDerWaalsContact C-N 3.32Å; D400-I402 WeakPolarHBondContact OD1-CB 3.36Å; D400-I402 PolarHBondContact OD1-N 3.45Å; D400-T403 HydrophobicContact CB-CG2 4.43Å; D400-T403 PolarHBondContact O-OG1 3.07Å; D400-T403 WeakPolarHBondContact OD2-CG2 3.48Å; D400-A404 PolarHBondContact O-N 3.35Å
401S82.5Confident85.7Confident67 Ų6744.2 Ų44.247%0.46924%0.244SC..Hα-helixtrans-68.7-33.4178.647.90000113.1T403 A404 F405S401-T403 VanDerWaalsContact C-N 3.31Å; S401-T403 PolarHBondContact O-N 3.26Å; S401-A404 WeakPolarHBondContact O-CB 3.48Å; S401-A404 PolarHBondContact O-N 3.35Å; S401-A404 VanDerWaalsContact O-N 3.11Å; S401-F405 PolarHBondContact O-N 2.83Å
402I82.3Confident85.6Confident94 Ų9443.9 Ų43.948%0.48225%0.246SC..Hα-helixtrans-62.6-43.1-178.9-57.4177.8000109.2D400 Y406D400-I402 WeakPolarHBondContact OD1-CB 3.36Å; D400-I402 PolarHBondContact OD1-N 3.45Å; I402-Y406 HydrophobicContact CG2-CD2 3.79Å; I402-Y406 HydrophobicContact CG2-CE2 3.59Å; I402-Y406 WeakPolarHBondContact O-CD2 3.49Å; I402-Y406 PolarHBondContact O-N 3.27Å; I402-Y406 VanDerWaalsContact O-N 3.1Å
403T84.2Confident85.3Confident3 Ų340.8 Ų40.82%0.01823%0.227CC..Hα-helixtrans-68-35.9174.462.90000113.3F398 D400 S401 Y406 V407 S454F398-T403 WeakPolarHBondContact CB-OG1 3.38Å; D400-T403 HydrophobicContact CB-CG2 4.43Å; D400-T403 PolarHBondContact O-OG1 3.07Å; D400-T403 WeakPolarHBondContact OD2-CG2 3.48Å; S401-T403 VanDerWaalsContact C-N 3.31Å; S401-T403 PolarHBondContact O-N 3.26Å; T403-Y406 PolarHBondContact O-N 3.3Å; T403-V407 VanDerWaalsContact O-CG2 3.24Å; T403-V407 WeakPolarHBondContact O-CG2 3.24Å; T403-V407 PolarHBondContact O-N 2.94Å; T403-S454 WeakPolarHBondContact CG2-OG 3.4Å
404A88.2Confident85.1Confident0 Ų037.4 Ų37.40%021%0.21CC..Hα-helixtrans-61.9-48.6176.200000111.5E391 M394 F398 D400 S401 V407 I408E391-A404 HydrophobicContact CG-CB 4.32Å; M394-A404 HydrophobicContact CB-CB 3.73Å; F398-A404 HydrophobicContact CD2-CB 4.12Å; D400-A404 PolarHBondContact O-N 3.35Å; S401-A404 WeakPolarHBondContact O-CB 3.48Å; S401-A404 PolarHBondContact O-N 3.35Å; S401-A404 VanDerWaalsContact O-N 3.11Å; A404-V407 PolarHBondContact O-N 3.16Å; A404-I408 WeakPolarHBondContact O-CG1 3.46Å; A404-I408 PolarHBondContact O-N 2.91Å; A404-I408 VanDerWaalsContact O-N 3.12Å
405F85.7Confident85Confident53 Ų5338.6 Ų38.623%0.23222%0.216CC..Hα-helixtrans-55.6-52.2174.7176.1-98.4000111.9F136 S401 V407 I408 L409F136-F405 HydrophobicContact CE1-CE2 4.18Å; F136-F405 HydrophobicContact CE2-CE2 4.46Å; F136-F405 HydrophobicContact CE2-CZ 4.12Å; F136-F405 HydrophobicContact CZ-CD2 4.46Å; F136-F405 AromaticContact CZ-CE2 3.58Å; F136-F405 HydrophobicContact CZ-CE2 3.58Å; F136-F405 AromaticContact CZ-CZ 3.66Å; F136-F405 HydrophobicContact CZ-CZ 3.66Å; S401-F405 PolarHBondContact O-N 2.83Å; F405-V407 VanDerWaalsContact C-N 3.31Å; F405-V407 PolarHBondContact O-N 3.35Å; F405-I408 PolarHBondContact O-N 2.78Å; F405-I408 VanDerWaalsContact O-N 3.13Å; F405-L409 HydrophobicContact CE1-CD1 3.98Å; F405-L409 HydrophobicContact CZ-CD1 4.3Å; F405-L409 PolarHBondContact O-N 2.93Å
406Y86.3Confident84.7Confident50 Ų5040.8 Ų40.820%0.19622%0.223CC..Hα-helixtrans-66.1-30.3-179.4-77.3-60.5000113.4I218 I222 I402 T403 L409 I410 L458I218-Y406 HydrophobicContact CD1-CE1 4.32Å; I218-Y406 HydrophobicContact CG2-CE1 4.27Å; I222-Y406 HydrophobicContact CD1-CE2 4.45Å; I222-Y406 WeakPolarHBondContact CD1-OH 3.22Å; I402-Y406 HydrophobicContact CG2-CD2 3.79Å; I402-Y406 HydrophobicContact CG2-CE2 3.59Å; I402-Y406 WeakPolarHBondContact O-CD2 3.49Å; I402-Y406 PolarHBondContact O-N 3.27Å; I402-Y406 VanDerWaalsContact O-N 3.1Å; T403-Y406 PolarHBondContact O-N 3.3Å; Y406-L409 HydrophobicContact CD1-CD1 4.23Å; Y406-L409 HydrophobicContact CE1-CD1 4.38Å; Y406-L409 PolarHBondContact O-N 3.4Å; Y406-I410 WeakPolarHBondContact O-CB 3.21Å; Y406-I410 WeakPolarHBondContact O-CG1 3.47Å; Y406-I410 PolarHBondContact O-N 3.15Å; Y406-L458 HydrophobicContact CG-CD2 4.48Å
407V90.8Very high84.5Confident1 Ų133.5 Ų33.51%0.00619%0.188CC..Hα-helixtrans-65.4-41.5172.3170.50000111.1M394 F398 T403 A404 F405 I410 I411 F442 Y443 L458M394-V407 HydrophobicContact CE-CB 3.81Å; M394-V407 HydrophobicContact CE-CG1 3.47Å; M394-V407 VanDerWaalsContact CE-CG1 3.47Å; F398-V407 HydrophobicContact CE2-CB 4.31Å; F398-V407 HydrophobicContact CE2-CG1 4.48Å; F398-V407 HydrophobicContact CE2-CG2 4.02Å; F398-V407 HydrophobicContact CZ-CG1 4.47Å; F398-V407 HydrophobicContact CZ-CG2 4.01Å; T403-V407 VanDerWaalsContact O-CG2 3.24Å; T403-V407 WeakPolarHBondContact O-CG2 3.24Å; T403-V407 PolarHBondContact O-N 2.94Å; A404-V407 PolarHBondContact O-N 3.16Å; F405-V407 VanDerWaalsContact C-N 3.31Å; F405-V407 PolarHBondContact O-N 3.35Å; V407-I410 PolarHBondContact O-N 2.8Å; V407-I411 HydrophobicContact CG1-CD1 3.82Å; V407-I411 WeakPolarHBondContact O-CD1 3.14Å; V407-I411 VanDerWaalsContact O-CG1 3.28Å; V407-I411 WeakPolarHBondContact O-CG1 3.3Å; V407-I411 PolarHBondContact O-N 3.3Å; V407-F442 HydrophobicContact CG2-CD1 4.32Å; V407-F442 HydrophobicContact CG2-CE1 3.57Å; V407-F442 HydrophobicContact CG2-CZ 4.16Å; V407-Y443 HydrophobicContact CG1-CE2 4.26Å; V407-L458 HydrophobicContact CG2-CD1 3.86Å
408I87.5Confident84.5Confident20 Ų2030.1 Ų30.110%0.10317%0.174CC..Hα-helixtrans-63.4-43.6174.8-65.3165.9000110.7I345 L387 E391 M394 A404 F405 I411 S412I345-I408 HydrophobicContact CD1-CG1 3.8Å; L387-I408 HydrophobicContact CD2-CG2 4.43Å; E391-I408 HydrophobicContact CB-CD1 3.62Å; E391-I408 HydrophobicContact CG-CD1 4.14Å; M394-I408 HydrophobicContact CE-CD1 4.4Å; M394-I408 HydrophobicContact CE-CG1 3.83Å; M394-I408 HydrophobicContact SD-CD1 4.2Å; M394-I408 HydrophobicContact SD-CG1 4.02Å; A404-I408 WeakPolarHBondContact O-CG1 3.46Å; A404-I408 PolarHBondContact O-N 2.91Å; A404-I408 VanDerWaalsContact O-N 3.12Å; F405-I408 PolarHBondContact O-N 2.78Å; F405-I408 VanDerWaalsContact O-N 3.13Å; I408-I411 PolarHBondContact O-N 2.93Å; I408-S412 WeakPolarHBondContact O-CB 3.19Å; I408-S412 PolarHBondContact O-N 3.49Å
409L85.7Confident84.1Confident28 Ų2833.4 Ų33.415%0.14720%0.203CC..Hα-helixtrans-59.2-48.4175.9-170.7160.6000111.5I215 I218 F405 Y406 I411 S412 V413I215-L409 HydrophobicContact CD1-CD2 4.01Å; I215-L409 HydrophobicContact CG1-CD2 4.3Å; I218-L409 HydrophobicContact CD1-CD1 4.09Å; F405-L409 HydrophobicContact CE1-CD1 3.98Å; F405-L409 HydrophobicContact CZ-CD1 4.3Å; F405-L409 PolarHBondContact O-N 2.93Å; Y406-L409 HydrophobicContact CD1-CD1 4.23Å; Y406-L409 HydrophobicContact CE1-CD1 4.38Å; Y406-L409 PolarHBondContact O-N 3.4Å; L409-I411 PolarHBondContact O-N 3.41Å; L409-S412 WeakPolarHBondContact O-CB 3.45Å; L409-S412 PolarHBondContact O-N 2.67Å; L409-V413 HydrophobicContact CD2-CG2 4.02Å; L409-V413 WeakPolarHBondContact O-CG2 3.43Å; L409-V413 PolarHBondContact O-N 2.9Å
410I87.9Confident84Confident5 Ų531.7 Ų31.73%0.02618%0.179CC..Hα-helixtrans-58.5-46.8178-72.5171000111Y406 V407 S412 V413 C414 F435 L458 W462 I465Y406-I410 WeakPolarHBondContact O-CB 3.21Å; Y406-I410 WeakPolarHBondContact O-CG1 3.47Å; Y406-I410 PolarHBondContact O-N 3.15Å; V407-I410 PolarHBondContact O-N 2.8Å; I410-S412 VanDerWaalsContact C-N 3.33Å; I410-S412 PolarHBondContact O-N 3.32Å; I410-V413 PolarHBondContact O-N 2.86Å; I410-C414 WeakPolarHBondContact O-CB 3.37Å; I410-C414 PolarHBondContact O-N 2.84Å; I410-C414 VanDerWaalsContact O-N 3.07Å; I410-C414 PolarHBondContact O-SG 3.48Å; I410-F435 HydrophobicContact CG2-CE2 4.49Å; I410-L458 HydrophobicContact CD1-CD1 4.45Å; I410-L458 HydrophobicContact CD1-CD2 3.68Å; I410-L458 HydrophobicContact CD1-CG 3.89Å; I410-W462 HydrophobicContact CB-CE3 4.25Å; I410-W462 HydrophobicContact CB-CZ3 4.31Å; I410-W462 HydrophobicContact CD1-CB 4.01Å; I410-W462 HydrophobicContact CD1-CD2 4.27Å; I410-W462 HydrophobicContact CD1-CE3 4.16Å; I410-W462 HydrophobicContact CD1-CG 4.25Å; I410-W462 HydrophobicContact CG1-CD2 3.89Å; I410-W462 HydrophobicContact CG1-CE3 3.6Å; I410-W462 HydrophobicContact CG1-CG 4.36Å; I410-W462 HydrophobicContact CG1-CZ3 4.02Å; I410-W462 HydrophobicContact CG2-CE3 3.96Å; I410-W462 HydrophobicContact CG2-CZ3 4.05Å; I410-I465 HydrophobicContact CG2-CD1 3.86Å
411I90.4Very high83.9Confident2 Ų230.1 Ų30.11%0.0117%0.17CC..Hα-helixtrans-63.4-42.1178.3-65.5161.7000110.3T342 I345 V407 I408 L409 C414 D415 F435T342-I411 HydrophobicContact CG2-CD1 4.45Å; T342-I411 HydrophobicContact CG2-CG1 4.32Å; T342-I411 HydrophobicContact CG2-CG2 4.12Å; I345-I411 HydrophobicContact CB-CG2 4.08Å; I345-I411 HydrophobicContact CD1-CD1 3.55Å; I345-I411 HydrophobicContact CG2-CB 4.15Å; I345-I411 HydrophobicContact CG2-CG2 3.6Å; V407-I411 HydrophobicContact CG1-CD1 3.82Å; V407-I411 WeakPolarHBondContact O-CD1 3.14Å; V407-I411 VanDerWaalsContact O-CG1 3.28Å; V407-I411 WeakPolarHBondContact O-CG1 3.3Å; V407-I411 PolarHBondContact O-N 3.3Å; I408-I411 PolarHBondContact O-N 2.93Å; L409-I411 PolarHBondContact O-N 3.41Å; I411-C414 PolarHBondContact O-N 2.79Å; I411-D415 PolarHBondContact O-N 2.96Å; I411-F435 HydrophobicContact CG1-CZ 4.4Å
412S85.6Confident83.6Confident30 Ų3027.3 Ų27.321%0.2115%0.15CC..Hα-helixtrans-59.6-49.2177.4-174.80000112.7I408 L409 I410 C414 D415 H416I408-S412 WeakPolarHBondContact O-CB 3.19Å; I408-S412 PolarHBondContact O-N 3.49Å; L409-S412 WeakPolarHBondContact O-CB 3.45Å; L409-S412 PolarHBondContact O-N 2.67Å; I410-S412 VanDerWaalsContact C-N 3.33Å; I410-S412 PolarHBondContact O-N 3.32Å; S412-C414 VanDerWaalsContact C-N 3.27Å; S412-C414 PolarHBondContact O-N 3.31Å; S412-D415 PolarHBondContact O-N 2.76Å; S412-H416 PolarHBondContact O-N 3.46Å; S412-H416 PolarHBondContact O-ND1 3.33Å
413V83.6Confident83.2Confident11 Ų1128.6 Ų28.67%0.06715%0.149CC..Hα-helixtrans-66.2-31.6179179.60000111.6I211 I215 L409 I410 Y417 W462 M469I211-V413 HydrophobicContact CG2-CG2 4.3Å; I215-V413 HydrophobicContact CD1-CG2 3.7Å; L409-V413 HydrophobicContact CD2-CG2 4.02Å; L409-V413 WeakPolarHBondContact O-CG2 3.43Å; L409-V413 PolarHBondContact O-N 2.9Å; I410-V413 PolarHBondContact O-N 2.86Å; V413-Y417 WeakPolarHBondContact O-CB 3.43Å; V413-Y417 PolarHBondContact O-N 3.31Å; V413-W462 HydrophobicContact CB-CH2 3.91Å; V413-W462 HydrophobicContact CG1-CH2 3.82Å; V413-W462 HydrophobicContact CG2-CH2 4.39Å; V413-M469 HydrophobicContact CG1-CE 4Å
414C88.1Confident83Confident4 Ų429.6 Ų29.63%0.02716%0.155CC..Hα-helixtrans-68.9-42.2174.1-68.30000112.7I410 I411 S412 Y417 E418 W431 F435I410-C414 WeakPolarHBondContact O-CB 3.37Å; I410-C414 PolarHBondContact O-N 2.84Å; I410-C414 VanDerWaalsContact O-N 3.07Å; I410-C414 PolarHBondContact O-SG 3.48Å; I411-C414 PolarHBondContact O-N 2.79Å; S412-C414 VanDerWaalsContact C-N 3.27Å; S412-C414 PolarHBondContact O-N 3.31Å; C414-Y417 PolarHBondContact O-N 2.8Å; C414-E418 PolarHBondContact O-N 3.11Å; C414-W431 HydrophobicContact CB-CH2 3.88Å; C414-F435 HydrophobicContact CB-CD2 4.03Å; C414-F435 HydrophobicContact CB-CE2 3.88Å; C414-F435 HydrophobicContact CB-CZ 4.4Å; C414-F435 WeakPolarHBondContact SG-CD2 3.42Å; C414-F435 VanDerWaalsContact SG-CE2 3.5Å
415D85Confident82.7Confident24 Ų2436.1 Ų36.113%0.12819%0.185CC..Hα-helixtrans-63.8-45.2176.5-169.380.4000111.3L349 I411 S412 Y417 E418 A419L349-D415 HydrophobicContact CD1-CB 4.1Å; I411-D415 PolarHBondContact O-N 2.96Å; S412-D415 PolarHBondContact O-N 2.76Å; D415-Y417 VanDerWaalsContact C-N 3.3Å; D415-Y417 PolarHBondContact O-N 2.8Å; D415-E418 PolarHBondContact O-N 3.35Å; D415-A419 WeakPolarHBondContact O-CB 3.41Å; D415-A419 PolarHBondContact O-N 2.84Å
416H79.5Confident82.6Confident75 Ų7537.2 Ų37.235%0.34719%0.193SC..Hα-helixtrans-60.3-38.2173-73.979.6000112.2S412 A419 V420S412-H416 PolarHBondContact O-N 3.46Å; S412-H416 PolarHBondContact O-ND1 3.33Å; H416-A419 PolarHBondContact O-N 2.95Å; H416-V420 WeakPolarHBondContact O-CB 3.48Å; H416-V420 WeakPolarHBondContact O-CG2 3.4Å; H416-V420 PolarHBondContact O-N 3.13Å
417Y82.9Confident82.4Confident8 Ų834.8 Ų34.83%0.03118%0.184CC..Hα-helixtrans-69.1-42.2177.5176.2-89.6000112.8V413 C414 D415 A419 F421 C422 W431 M469 F473V413-Y417 WeakPolarHBondContact O-CB 3.43Å; V413-Y417 PolarHBondContact O-N 3.31Å; C414-Y417 PolarHBondContact O-N 2.8Å; D415-Y417 VanDerWaalsContact C-N 3.3Å; D415-Y417 PolarHBondContact O-N 2.8Å; Y417-A419 VanDerWaalsContact C-N 3.31Å; Y417-A419 PolarHBondContact O-N 3.36Å; Y417-F421 HydrophobicContact CD2-CB 4.06Å; Y417-F421 AromaticContact CD2-CD2 3.56Å; Y417-F421 HydrophobicContact CD2-CD2 3.56Å; Y417-F421 HydrophobicContact CD2-CE2 4.37Å; Y417-F421 HydrophobicContact CD2-CG 4.09Å; Y417-F421 HydrophobicContact CE2-CB 3.88Å; Y417-F421 HydrophobicContact CE2-CD2 4.06Å; Y417-F421 HydrophobicContact CE2-CG 4.14Å; Y417-F421 HydrophobicContact CG-CD2 4.31Å; Y417-F421 PolarHBondContact O-N 3.04Å; Y417-C422 WeakPolarHBondContact CE1-SG 3.43Å; Y417-W431 HydrophobicContact CD1-CD2 4.01Å; Y417-W431 AromaticContact CD1-CE2 3.63Å; Y417-W431 HydrophobicContact CD1-CE3 4.16Å; Y417-W431 AromaticContact CD1-CH2 3.67Å; Y417-W431 HydrophobicContact CD1-CH2 3.67Å; Y417-W431 AromaticContact CD1-CZ2 3.47Å; Y417-W431 HydrophobicContact CD1-CZ2 3.47Å; Y417-W431 VanDerWaalsContact CD1-CZ2 3.47Å; Y417-W431 HydrophobicContact CD1-CZ3 4.01Å; Y417-W431 AromaticContact CE1-CD2 3.73Å; Y417-W431 HydrophobicContact CE1-CD2 3.73Å; Y417-W431 AromaticContact CE1-CE2 3.51Å; Y417-W431 HydrophobicContact CE1-CE3 4.23Å; Y417-W431 HydrophobicContact CE1-CG 4.12Å; Y417-W431 HydrophobicContact CE1-CH2 4.37Å; Y417-W431 AromaticContact CE1-CZ2 3.88Å; Y417-W431 HydrophobicContact CE1-CZ2 3.88Å; Y417-W431 AromaticContact CE1-NE1 3.71Å; Y417-W431 HydrophobicContact CG-CZ2 4.38Å; Y417-M469 HydrophobicContact CD1-CE 4.48Å; Y417-M469 HydrophobicContact CD1-CG 4.2Å; Y417-M469 HydrophobicContact CD2-CB 4.28Å; Y417-M469 HydrophobicContact CD2-CE 3.74Å; Y417-M469 HydrophobicContact CD2-CG 4.36Å; Y417-M469 HydrophobicContact CE1-CB 4.45Å; Y417-M469 HydrophobicContact CE1-CG 4.28Å; Y417-M469 HydrophobicContact CE2-CB 3.99Å; Y417-M469 HydrophobicContact CE2-CG 4.43Å; Y417-M469 HydrophobicContact CG-CE 3.7Å; Y417-M469 HydrophobicContact CG-CG 4.26Å; Y417-M469 PolarHBondContact OH-O 3.13Å; Y417-M469 VanDerWaalsContact OH-O 3.14Å; Y417-F473 HydrophobicContact CE2-CB 4.38Å; Y417-F473 PolarHBondContact OH-N 2.74Å
418E83.7Confident82.1Confident25 Ų2537.6 Ų37.612%0.11720%0.196CC..Hα-helixtrans-61.6-40.9173.3-167.9175.114300111.1C414 D415 C422 W431C414-E418 PolarHBondContact O-N 3.11Å; D415-E418 PolarHBondContact O-N 3.35Å; E418-C422 HydrophobicContact CG-CB 4.41Å; E418-W431 HydrophobicContact CB-CZ3 4.09Å
419A75.9Confident82.1Confident82 Ų8243.6 Ų43.668%0.67822%0.217SC*.Hα-helixtrans-70.1-39.3-179.100000114.4D415 H416 Y417D415-A419 WeakPolarHBondContact O-CB 3.41Å; D415-A419 PolarHBondContact O-N 2.84Å; H416-A419 PolarHBondContact O-N 2.95Å; Y417-A419 VanDerWaalsContact C-N 3.31Å; Y417-A419 PolarHBondContact O-N 3.36Å
420V72.3Confident82.2Confident33 Ų3346.7 Ų46.720%0.223%0.228CC..Hα-helixtrans-91.2-44.7-173.5175.20000112.8V204 H416V204-V420 HydrophobicContact CG1-CG2 4.03Å; H416-V420 WeakPolarHBondContact O-CB 3.48Å; H416-V420 WeakPolarHBondContact O-CG2 3.4Å; H416-V420 PolarHBondContact O-N 3.13Å
421F74.2Confident82.2Confident18 Ų1846.6 Ų46.68%0.07923%0.227CC..THydrogen-bonded Turntrans-105.6-32.7-164.7-65.2-76.2000114.7F205 F208 Y417 R423 F473 E477F205-F421 HydrophobicContact CE1-CE1 4.08Å; F205-F421 AromaticContact CE1-CZ 3.99Å; F205-F421 HydrophobicContact CE1-CZ 3.99Å; F205-F421 AromaticContact CZ-CE1 3.69Å; F205-F421 HydrophobicContact CZ-CE1 3.69Å; F205-F421 AromaticContact CZ-CZ 3.93Å; F205-F421 HydrophobicContact CZ-CZ 3.93Å; F208-F421 HydrophobicContact CD1-CE2 4.35Å; F208-F421 HydrophobicContact CD1-CZ 4.4Å; F208-F421 AromaticContact CE1-CE2 3.89Å; F208-F421 HydrophobicContact CE1-CE2 3.89Å; F208-F421 HydrophobicContact CE1-CZ 4.12Å; F208-F421 HydrophobicContact CE2-CE2 4.35Å; F208-F421 AromaticContact CZ-CE2 3.89Å; F208-F421 HydrophobicContact CZ-CE2 3.89Å; Y417-F421 HydrophobicContact CD2-CB 4.06Å; Y417-F421 AromaticContact CD2-CD2 3.56Å; Y417-F421 HydrophobicContact CD2-CD2 3.56Å; Y417-F421 HydrophobicContact CD2-CE2 4.37Å; Y417-F421 HydrophobicContact CD2-CG 4.09Å; Y417-F421 HydrophobicContact CE2-CB 3.88Å; Y417-F421 HydrophobicContact CE2-CD2 4.06Å; Y417-F421 HydrophobicContact CE2-CG 4.14Å; Y417-F421 HydrophobicContact CG-CD2 4.31Å; Y417-F421 PolarHBondContact O-N 3.04Å; F421-R423 VanDerWaalsContact C-N 3.34Å; F421-R423 PolarHBondContact O-N 3.38Å; F421-F473 AromaticContact CD1-CD2 3.84Å; F421-F473 HydrophobicContact CD1-CD2 3.84Å; F421-F473 AromaticContact CD1-CE2 3.6Å; F421-F473 HydrophobicContact CD1-CE2 3.6Å; F421-F473 HydrophobicContact CE1-CD2 4.39Å; F421-F473 AromaticContact CE1-CE2 3.86Å; F421-F473 HydrophobicContact CE1-CE2 3.86Å; F421-F473 HydrophobicContact CG-CD2 4.4Å; F421-E477 VanDerWaalsContact O-CG 3.27Å; F421-E477 WeakPolarHBondContact O-CG 3.38Å
422C75Confident82.1Confident7 Ų747 Ų475%0.04723%0.23CC..  trans-7776.8-174.3-68.80000112.7Y417 E418 S427 K428Y417-C422 WeakPolarHBondContact CE1-SG 3.43Å; E418-C422 HydrophobicContact CG-CB 4.41Å; C422-S427 PolarHBondContact SG-OG 3.47Å; C422-S427 VanDerWaalsContact SG-OG 3.37Å; C422-K428 HydrophobicContact CB-CG 4.22Å; C422-K428 WeakPolarHBondContact O-CE 3.47Å; C422-K428 WeakPolarHBondContact O-CG 3.48Å
423R75Confident82.3Confident122 Ų12250.1 Ų50.146%0.4624%0.237SC..  trans-90.8-34.6179.6-61.4-176-174.3177.73.6112.5F421 K428 E477F421-R423 VanDerWaalsContact C-N 3.34Å; F421-R423 PolarHBondContact O-N 3.38Å; R423-K428 WeakPolarHBondContact O-CE 3.3Å; R423-K428 PolarHBondContact O-NZ 2.86Å; R423-E477 WeakPolarHBondContact CB-OE2 3.47Å; R423-E477 VanDerWaalsContact N-CD 3.35Å; R423-E477 PolarHBondContact N-OE1 3.22Å; R423-E477 PolarHBondContact N-OE2 3.38Å
424T80.2Confident82.7Confident24 Ų2454.4 Ų54.415%0.14725%0.252CS..SBendtrans-71.4140178.268.70000112L426 S427 K428 E477 N480T424-L426 PolarHBondContact O-N 3.17Å; T424-S427 PolarHBondContact O-N 3.04Å; T424-S427 VanDerWaalsContact O-N 3.15Å; T424-S427 VanDerWaalsContact OG1-CB 3.28Å; T424-S427 WeakPolarHBondContact OG1-CB 3.38Å; T424-S427 PolarHBondContact OG1-N 3.17Å; T424-S427 VanDerWaalsContact OG1-N 3.13Å; T424-K428 WeakPolarHBondContact O-CG 3.47Å; T424-K428 PolarHBondContact O-N 3.47Å; T424-E477 WeakPolarHBondContact CB-OE1 3.22Å; T424-E477 PolarHBondContact N-OE1 3.04Å; T424-E477 PolarHBondContact N-OE2 3.06Å; T424-E477 PolarHBondContact OG1-OE1 2.93Å; T424-N480 HydrophobicContact CG2-CB 3.93Å
425E82.2Confident82.9Confident136 Ų13654.5 Ų54.564%0.63625%0.252SS*.Hα-helixtrans-60.2-26.6174.4-62.9-52.9115.900112.7K428 R429E425-K428 IonicContact OE1-NZ 2.76Å; E425-K428 PolarHBondContact OE1-NZ 3.46Å; E425-R429 WeakPolarHBondContact O-CB 3.27Å; E425-R429 PolarHBondContact O-N 2.99Å; E425-R429 VanDerWaalsContact O-N 3.15Å
426L82.1Confident83.2Confident76 Ų7655.7 Ų55.740%0.39826%0.256SS..Hα-helixtrans-69.8-46.9174.9-164.776.3000111.4T424 R429 Y430 Y476T424-L426 PolarHBondContact O-N 3.17Å; L426-R429 PolarHBondContact O-N 2.87Å; L426-Y430 HydrophobicContact CD1-CD2 3.71Å; L426-Y430 HydrophobicContact CD1-CE2 3.67Å; L426-Y430 HydrophobicContact CG-CD2 4.13Å; L426-Y430 WeakPolarHBondContact O-CB 3.29Å; L426-Y430 WeakPolarHBondContact O-CD2 3.49Å; L426-Y430 PolarHBondContact O-N 3.36Å; L426-Y430 VanDerWaalsContact O-N 3.08Å; L426-Y476 HydrophobicContact CD2-CD1 3.64Å; L426-Y476 HydrophobicContact CD2-CD2 4.48Å; L426-Y476 HydrophobicContact CD2-CE1 3.4Å; L426-Y476 VanDerWaalsContact CD2-CE1 3.4Å; L426-Y476 HydrophobicContact CD2-CE2 4.29Å; L426-Y476 HydrophobicContact CD2-CG 4.17Å
427S82.9Confident83.9Confident0 Ų057.1 Ų57.10%027%0.265CS..Hα-helixtrans-63.9-51.7178-166.20000111C422 T424 R429 Y430 W431 P432 E477C422-S427 PolarHBondContact SG-OG 3.47Å; C422-S427 VanDerWaalsContact SG-OG 3.37Å; T424-S427 PolarHBondContact O-N 3.04Å; T424-S427 VanDerWaalsContact O-N 3.15Å; T424-S427 VanDerWaalsContact OG1-CB 3.28Å; T424-S427 WeakPolarHBondContact OG1-CB 3.38Å; T424-S427 PolarHBondContact OG1-N 3.17Å; T424-S427 VanDerWaalsContact OG1-N 3.13Å; S427-R429 PolarHBondContact O-N 3Å; S427-R429 VanDerWaalsContact O-N 3.16Å; S427-Y430 PolarHBondContact O-N 3.14Å; S427-W431 VanDerWaalsContact O-CB 3.29Å; S427-W431 WeakPolarHBondContact O-CB 3.27Å; S427-W431 PolarHBondContact O-N 3.29Å; S427-P432 WeakPolarHBondContact O-CD 3.2Å; S427-E477 WeakPolarHBondContact CB-OE1 3.49Å
428K83.8Confident84.3Confident59 Ų5959.6 Ų59.626%0.25728%0.275SS..Hα-helixtrans-51.7-40.8176.6-66.2173.3-164.31600113.1C422 R423 T424 E425 P432C422-K428 HydrophobicContact CB-CG 4.22Å; C422-K428 WeakPolarHBondContact O-CE 3.47Å; C422-K428 WeakPolarHBondContact O-CG 3.48Å; R423-K428 WeakPolarHBondContact O-CE 3.3Å; R423-K428 PolarHBondContact O-NZ 2.86Å; T424-K428 WeakPolarHBondContact O-CG 3.47Å; T424-K428 PolarHBondContact O-N 3.47Å; E425-K428 IonicContact OE1-NZ 2.76Å; E425-K428 PolarHBondContact OE1-NZ 3.46Å; K428-P432 VanDerWaalsContact O-CD 3.25Å; K428-P432 WeakPolarHBondContact O-CD 3.32Å; K428-P432 WeakPolarHBondContact O-CG 3.47Å
429R87.6Confident84.7Confident147 Ų14758.5 Ų58.556%0.55527%0.27SS*.Hα-helixtrans-79.3-31.5-176-167.7175.8-165.8-157.43.6113.8E425 L426 S427 R433E425-R429 WeakPolarHBondContact O-CB 3.27Å; E425-R429 PolarHBondContact O-N 2.99Å; E425-R429 VanDerWaalsContact O-N 3.15Å; L426-R429 PolarHBondContact O-N 2.87Å; S427-R429 PolarHBondContact O-N 3Å; S427-R429 VanDerWaalsContact O-N 3.16Å; R429-R433 WeakPolarHBondContact O-CD 3.27Å; R429-R433 PolarHBondContact O-NE 2.97Å
430Y87.9Confident85.5Confident93 Ų9357.7 Ų57.737%0.36525%0.251SS..Hα-helixtrans-110.7-38.8-171.5-72.3-81.4000114.6L426 S427 R433 Y434L426-Y430 HydrophobicContact CD1-CD2 3.71Å; L426-Y430 HydrophobicContact CD1-CE2 3.67Å; L426-Y430 HydrophobicContact CG-CD2 4.13Å; L426-Y430 WeakPolarHBondContact O-CB 3.29Å; L426-Y430 WeakPolarHBondContact O-CD2 3.49Å; L426-Y430 PolarHBondContact O-N 3.36Å; L426-Y430 VanDerWaalsContact O-N 3.08Å; S427-Y430 PolarHBondContact O-N 3.14Å; Y430-R433 WeakPolarHBondContact O-CB 3.31Å; Y430-R433 PolarHBondContact O-N 3.49Å; Y430-R433 VanDerWaalsContact O-N 3.14Å; Y430-Y434 WeakPolarHBondContact O-CD2 3.3Å
431W88.1Confident86.4Confident2 Ų258 Ų581%0.00826%0.261CS..Hα-helixtrans-59.5-45.2-177.2176.184.8000113.5C414 Y417 E418 S427 R433 Y434 F435 M469 F472C414-W431 HydrophobicContact CB-CH2 3.88Å; Y417-W431 HydrophobicContact CD1-CD2 4.01Å; Y417-W431 AromaticContact CD1-CE2 3.63Å; Y417-W431 HydrophobicContact CD1-CE3 4.16Å; Y417-W431 AromaticContact CD1-CH2 3.67Å; Y417-W431 HydrophobicContact CD1-CH2 3.67Å; Y417-W431 AromaticContact CD1-CZ2 3.47Å; Y417-W431 HydrophobicContact CD1-CZ2 3.47Å; Y417-W431 VanDerWaalsContact CD1-CZ2 3.47Å; Y417-W431 HydrophobicContact CD1-CZ3 4.01Å; Y417-W431 AromaticContact CE1-CD2 3.73Å; Y417-W431 HydrophobicContact CE1-CD2 3.73Å; Y417-W431 AromaticContact CE1-CE2 3.51Å; Y417-W431 HydrophobicContact CE1-CE3 4.23Å; Y417-W431 HydrophobicContact CE1-CG 4.12Å; Y417-W431 HydrophobicContact CE1-CH2 4.37Å; Y417-W431 AromaticContact CE1-CZ2 3.88Å; Y417-W431 HydrophobicContact CE1-CZ2 3.88Å; Y417-W431 AromaticContact CE1-NE1 3.71Å; Y417-W431 HydrophobicContact CG-CZ2 4.38Å; E418-W431 HydrophobicContact CB-CZ3 4.09Å; S427-W431 VanDerWaalsContact O-CB 3.29Å; S427-W431 WeakPolarHBondContact O-CB 3.27Å; S427-W431 PolarHBondContact O-N 3.29Å; W431-R433 PolarHBondContact O-N 3.08Å; W431-Y434 PolarHBondContact O-N 3.2Å; W431-F435 HydrophobicContact CH2-CB 4.4Å; W431-F435 HydrophobicContact CZ2-CB 4.39Å; W431-F435 PolarHBondContact O-N 3.25Å; W431-F435 VanDerWaalsContact O-N 3.1Å; W431-M469 HydrophobicContact CZ2-CG 3.68Å; W431-M469 HydrophobicContact CZ2-SD 4.49Å; W431-F472 HydrophobicContact CB-CD1 3.88Å; W431-F472 HydrophobicContact CB-CD2 4.41Å; W431-F472 HydrophobicContact CB-CE1 4.1Å; W431-F472 HydrophobicContact CB-CG 4.06Å; W431-F472 HydrophobicContact CB-CZ 4.45Å; W431-F472 AromaticContact CD1-CD2 3.83Å; W431-F472 AromaticContact CD1-CG 3.87Å; W431-F472 HydrophobicContact CG-CG 4.34Å
432P88.4Confident87.2Confident10 Ų1057.3 Ų57.37%0.06526%0.258CS..Hα-helixtrans-58.7-27.3177.5-26.436.1000113.4S427 K428 F435 Y436S427-P432 WeakPolarHBondContact O-CD 3.2Å; K428-P432 VanDerWaalsContact O-CD 3.25Å; K428-P432 WeakPolarHBondContact O-CD 3.32Å; K428-P432 WeakPolarHBondContact O-CG 3.47Å; P432-F435 PolarHBondContact O-N 3.11Å; P432-Y436 WeakPolarHBondContact O-CB 3.46Å; P432-Y436 WeakPolarHBondContact O-CD2 3.35Å; P432-Y436 PolarHBondContact O-N 3.3Å
433R91Very high88Confident97 Ų9757 Ų5737%0.36626%0.256SS..Hα-helixtrans-69.1-35.6177.2-51.9-179.2-176.8-156.6-8.2111.9R429 Y430 W431 L437R429-R433 WeakPolarHBondContact O-CD 3.27Å; R429-R433 PolarHBondContact O-NE 2.97Å; Y430-R433 WeakPolarHBondContact O-CB 3.31Å; Y430-R433 PolarHBondContact O-N 3.49Å; Y430-R433 VanDerWaalsContact O-N 3.14Å; W431-R433 PolarHBondContact O-N 3.08Å; R433-L437 VanDerWaalsContact O-CB 3.3Å; R433-L437 WeakPolarHBondContact O-CB 3.34Å; R433-L437 PolarHBondContact O-N 3.47Å; R433-L437 VanDerWaalsContact O-N 3.07Å
434Y90.8Very high88.7Confident100 Ų10051.8 Ų51.839%0.39224%0.239SC..Hα-helixtrans-72.1-43.8174-72.3-80.4000111.1Y430 W431 Y436 L437 Y438 F472Y430-Y434 WeakPolarHBondContact O-CD2 3.3Å; W431-Y434 PolarHBondContact O-N 3.2Å; Y434-Y436 PolarHBondContact O-N 3.02Å; Y434-L437 PolarHBondContact O-N 3.23Å; Y434-Y438 HydrophobicContact CD1-CE2 4.41Å; Y434-Y438 WeakPolarHBondContact O-CD2 3.39Å; Y434-Y438 PolarHBondContact O-N 3.02Å; Y434-F472 AromaticContact CD2-CE2 3.69Å; Y434-F472 HydrophobicContact CD2-CE2 3.69Å; Y434-F472 AromaticContact CD2-CZ 3.73Å; Y434-F472 HydrophobicContact CD2-CZ 3.73Å; Y434-F472 AromaticContact CE2-CE2 3.91Å; Y434-F472 HydrophobicContact CE2-CE2 3.91Å; Y434-F472 AromaticContact CE2-CZ 3.69Å; Y434-F472 HydrophobicContact CE2-CZ 3.69Å; Y434-F472 HydrophobicContact CG-CE2 4.43Å
435F92.5Very high89Confident6 Ų651.5 Ų51.53%0.02624%0.235CC..Hα-helixtrans-52.2-57171.3163.2-104.1000111.3T342 I410 I411 C414 W431 P432 L437 Y438 H439 I465T342-F435 HydrophobicContact CG2-CE1 3.94Å; T342-F435 HydrophobicContact CG2-CZ 4.08Å; I410-F435 HydrophobicContact CG2-CE2 4.49Å; I411-F435 HydrophobicContact CG1-CZ 4.4Å; C414-F435 HydrophobicContact CB-CD2 4.03Å; C414-F435 HydrophobicContact CB-CE2 3.88Å; C414-F435 HydrophobicContact CB-CZ 4.4Å; C414-F435 WeakPolarHBondContact SG-CD2 3.42Å; C414-F435 VanDerWaalsContact SG-CE2 3.5Å; W431-F435 HydrophobicContact CH2-CB 4.4Å; W431-F435 HydrophobicContact CZ2-CB 4.39Å; W431-F435 PolarHBondContact O-N 3.25Å; W431-F435 VanDerWaalsContact O-N 3.1Å; P432-F435 PolarHBondContact O-N 3.11Å; F435-L437 VanDerWaalsContact C-N 3.26Å; F435-L437 PolarHBondContact O-N 3.16Å; F435-Y438 PolarHBondContact O-N 3.33Å; F435-H439 HydrophobicContact CE2-CB 4.24Å; F435-H439 HydrophobicContact CZ-CB 4.34Å; F435-H439 AromaticContact CZ-CD2 3.99Å; F435-H439 VanDerWaalsContact O-CB 3.23Å; F435-H439 WeakPolarHBondContact O-CB 3.36Å; F435-H439 PolarHBondContact O-N 3.32Å; F435-I465 HydrophobicContact CD2-CD1 4.19Å; F435-I465 HydrophobicContact CD2-CG1 4.46Å; F435-I465 HydrophobicContact CD2-CG2 4.49Å; F435-I465 HydrophobicContact CE2-CD1 4.39Å
436Y92.3Very high89.2Confident49 Ų4945.9 Ų45.919%0.19221%0.209CC..Hα-helixtrans-59.3-34.2178.8-84.5-61.4000113M338 L339 T342 P432 Y434 F440 F565M338-Y436 HydrophobicContact CE-CD1 3.81Å; M338-Y436 HydrophobicContact CE-CE1 4.38Å; M338-Y436 HydrophobicContact SD-CD1 4.41Å; L339-Y436 HydrophobicContact CD2-CD1 4.28Å; L339-Y436 HydrophobicContact CD2-CE1 3.76Å; T342-Y436 HydrophobicContact CG2-CE1 4.26Å; P432-Y436 WeakPolarHBondContact O-CB 3.46Å; P432-Y436 WeakPolarHBondContact O-CD2 3.35Å; P432-Y436 PolarHBondContact O-N 3.3Å; Y434-Y436 PolarHBondContact O-N 3.02Å; Y436-F440 WeakPolarHBondContact O-CB 3.48Å; Y436-F440 PolarHBondContact O-N 2.79Å; Y436-F565 HydrophobicContact CE2-CE2 4.09Å; Y436-F565 HydrophobicContact CE2-CZ 4.44Å; Y436-F565 AromaticContact CZ-CE2 3.94Å; Y436-F565 AromaticContact CZ-CZ 3.85Å; Y436-F565 WeakPolarHBondContact OH-CE2 3.38Å; Y436-F565 WeakPolarHBondContact OH-CZ 3.44Å
437L92.4Very high89.3Confident105 Ų10543.7 Ų43.755%0.5520%0.195SC..Hα-helixtrans-68.3-44.5177.3-177.865000112.4R433 Y434 F435 G441R433-L437 VanDerWaalsContact O-CB 3.3Å; R433-L437 WeakPolarHBondContact O-CB 3.34Å; R433-L437 PolarHBondContact O-N 3.47Å; R433-L437 VanDerWaalsContact O-N 3.07Å; Y434-L437 PolarHBondContact O-N 3.23Å; F435-L437 VanDerWaalsContact C-N 3.26Å; F435-L437 PolarHBondContact O-N 3.16Å; L437-G441 PolarHBondContact O-N 2.97Å
438Y92.6Very high89.2Confident61 Ų6146.8 Ų46.824%0.23921%0.207CC..Hα-helixtrans-71.7-40.4177.9-63-52.7000112Y434 F435 G441 F442 F464 I465Y434-Y438 HydrophobicContact CD1-CE2 4.41Å; Y434-Y438 WeakPolarHBondContact O-CD2 3.39Å; Y434-Y438 PolarHBondContact O-N 3.02Å; F435-Y438 PolarHBondContact O-N 3.33Å; Y438-G441 WeakPolarHBondContact O-CA 3.44Å; Y438-G441 PolarHBondContact O-N 2.98Å; Y438-G441 VanDerWaalsContact O-N 3.08Å; Y438-F442 PolarHBondContact O-N 2.88Å; Y438-F442 VanDerWaalsContact O-N 3.15Å; Y438-F464 HydrophobicContact CD1-CB 3.74Å; Y438-F464 HydrophobicContact CD1-CG 4.27Å; Y438-F464 HydrophobicContact CD2-CB 4.22Å; Y438-F464 HydrophobicContact CE1-CB 3.89Å; Y438-F464 HydrophobicContact CE1-CD1 4.32Å; Y438-F464 HydrophobicContact CE1-CG 4.15Å; Y438-F464 HydrophobicContact CE2-CB 4.35Å; Y438-F464 HydrophobicContact CG-CB 3.93Å; Y438-I465 HydrophobicContact CD2-CG1 4.35Å
439H92.4Very high88.8Confident2 Ų244.8 Ų44.81%0.00920%0.198CC..Hα-helixtrans-64-43.1175.5-158.364.2000111.1M338 T342 F435 G441 F442 Y443M338-H439 HydrophobicContact SD-CB 4.29Å; T342-H439 PolarHBondContact OG1-NE2 2.91Å; F435-H439 HydrophobicContact CE2-CB 4.24Å; F435-H439 HydrophobicContact CZ-CB 4.34Å; F435-H439 AromaticContact CZ-CD2 3.99Å; F435-H439 VanDerWaalsContact O-CB 3.23Å; F435-H439 WeakPolarHBondContact O-CB 3.36Å; F435-H439 PolarHBondContact O-N 3.32Å; H439-G441 VanDerWaalsContact C-N 3.28Å; H439-G441 PolarHBondContact O-N 3.39Å; H439-F442 WeakPolarHBondContact O-CB 3.37Å; H439-F442 PolarHBondContact O-N 2.81Å; H439-F442 VanDerWaalsContact O-N 3.14Å; H439-Y443 AromaticContact CD2-CE2 3.92Å; H439-Y443 AromaticContact CE1-CE2 3.94Å; H439-Y443 AromaticContact NE2-CE2 3.56Å; H439-Y443 PolarHBondContact O-N 3.47Å
440F92.4Very high88.2Confident65 Ų6541 Ų4129%0.28519%0.189SC..Hα-helixtrans-60.2-38.2169.8175.5-114000111.6Y331 A335 M338 Y436 F442 Y443 A444Y331-F440 WeakPolarHBondContact O-CE2 3.29Å; A335-F440 HydrophobicContact CB-CD2 4.08Å; A335-F440 HydrophobicContact CB-CE2 3.77Å; M338-F440 HydrophobicContact CE-CB 4.28Å; M338-F440 WeakPolarHBondContact SD-CA 3.34Å; M338-F440 HydrophobicContact SD-CB 3.66Å; M338-F440 PolarHBondContact SD-N 2.88Å; Y436-F440 WeakPolarHBondContact O-CB 3.48Å; Y436-F440 PolarHBondContact O-N 2.79Å; F440-F442 VanDerWaalsContact C-N 3.29Å; F440-F442 PolarHBondContact O-N 3.47Å; F440-Y443 PolarHBondContact O-N 2.89Å; F440-A444 HydrophobicContact CD2-CB 4.36Å; F440-A444 HydrophobicContact CE1-CB 4.27Å; F440-A444 HydrophobicContact CE2-CB 4.01Å; F440-A444 HydrophobicContact CZ-CB 3.98Å; F440-A444 WeakPolarHBondContact O-CA 3.35Å; F440-A444 WeakPolarHBondContact O-CB 3.24Å; F440-A444 PolarHBondContact O-N 3.09Å
441G90.5Very high87.4Confident40 Ų4037.1 Ų37.141%0.41218%0.178SC..Hα-helixtrans-55-41.2173.500000113.4L437 Y438 H439 Y445L437-G441 PolarHBondContact O-N 2.97Å; Y438-G441 WeakPolarHBondContact O-CA 3.44Å; Y438-G441 PolarHBondContact O-N 2.98Å; Y438-G441 VanDerWaalsContact O-N 3.08Å; H439-G441 VanDerWaalsContact C-N 3.28Å; H439-G441 PolarHBondContact O-N 3.39Å; G441-Y445 VanDerWaalsContact O-CB 3.3Å; G441-Y445 WeakPolarHBondContact O-CB 3.08Å; G441-Y445 PolarHBondContact O-N 2.77Å; G441-Y445 VanDerWaalsContact O-N 3.13Å
442F91.5Very high86.6Confident3 Ų337.5 Ų37.51%0.01318%0.18CC..Hα-helixtrans-68.7-54.3173.3168.3-104.5000112.3F398 V407 Y438 H439 F440 A444 Y445 H446 A457 L458F398-F442 AromaticContact CE1-CE1 3.93Å; F398-F442 HydrophobicContact CE1-CE1 3.93Å; F398-F442 HydrophobicContact CE1-CZ 4.32Å; F398-F442 HydrophobicContact CZ-CE1 4.07Å; V407-F442 HydrophobicContact CG2-CD1 4.32Å; V407-F442 HydrophobicContact CG2-CE1 3.57Å; V407-F442 HydrophobicContact CG2-CZ 4.16Å; Y438-F442 PolarHBondContact O-N 2.88Å; Y438-F442 VanDerWaalsContact O-N 3.15Å; H439-F442 WeakPolarHBondContact O-CB 3.37Å; H439-F442 PolarHBondContact O-N 2.81Å; H439-F442 VanDerWaalsContact O-N 3.14Å; F440-F442 VanDerWaalsContact C-N 3.29Å; F440-F442 PolarHBondContact O-N 3.47Å; F442-A444 VanDerWaalsContact C-N 3.32Å; F442-A444 PolarHBondContact O-N 3.27Å; F442-Y445 WeakPolarHBondContact O-CB 3.36Å; F442-Y445 PolarHBondContact O-N 2.84Å; F442-H446 PolarHBondContact O-N 2.81Å; F442-A457 HydrophobicContact CD2-CB 4.17Å; F442-L458 HydrophobicContact CD2-CB 3.99Å; F442-L458 HydrophobicContact CE2-CB 3.68Å; F442-L458 HydrophobicContact CE2-CD1 4.4Å; F442-L458 HydrophobicContact CE2-CG 4.42Å; F442-L458 HydrophobicContact CZ-CB 4.3Å; F442-L458 HydrophobicContact CZ-CD1 4.18Å
443Y91.4Very high85.9Confident1 Ų137.8 Ų37.80%0.00418%0.18CC..Hα-helixtrans-58.6-43.2-179.7-89.5-97.1000112.1I337 M338 F341 F398 V407 H439 F440 Y445 H446 Y447I337-Y443 HydrophobicContact CG2-CE1 4.34Å; M338-Y443 HydrophobicContact CB-CD1 3.88Å; M338-Y443 HydrophobicContact CB-CD2 3.86Å; M338-Y443 HydrophobicContact CB-CE1 4.17Å; M338-Y443 HydrophobicContact CB-CE2 4.15Å; M338-Y443 HydrophobicContact CB-CG 3.72Å; M338-Y443 HydrophobicContact CG-CD2 3.74Å; M338-Y443 HydrophobicContact CG-CE2 3.95Å; M338-Y443 HydrophobicContact CG-CG 4.11Å; F341-Y443 HydrophobicContact CD2-CE1 4.39Å; F398-Y443 HydrophobicContact CE1-CD1 4.37Å; F398-Y443 HydrophobicContact CE1-CE1 4.01Å; F398-Y443 AromaticContact CZ-CE1 3.77Å; F398-Y443 HydrophobicContact CZ-CE1 3.77Å; F398-Y443 HydrophobicContact CZ-CE2 4.41Å; F398-Y443 AromaticContact CZ-CZ 3.71Å; V407-Y443 HydrophobicContact CG1-CE2 4.26Å; H439-Y443 AromaticContact CD2-CE2 3.92Å; H439-Y443 AromaticContact CE1-CE2 3.94Å; H439-Y443 AromaticContact NE2-CE2 3.56Å; H439-Y443 PolarHBondContact O-N 3.47Å; F440-Y443 PolarHBondContact O-N 2.89Å; Y443-Y445 VanDerWaalsContact C-N 3.34Å; Y443-Y445 PolarHBondContact O-N 3.45Å; Y443-H446 PolarHBondContact O-N 3.38Å; Y443-Y447 WeakPolarHBondContact O-CB 3.46Å; Y443-Y447 PolarHBondContact O-N 3.22Å
444A89.3Confident85.3Confident11 Ų1134 Ų349%0.09117%0.169CC..Hα-helixtrans-62.2-38.4175.400000112.1Y331 F440 F442 R448Y331-A444 HydrophobicContact CD1-CB 3.7Å; Y331-A444 HydrophobicContact CE1-CB 4Å; F440-A444 HydrophobicContact CD2-CB 4.36Å; F440-A444 HydrophobicContact CE1-CB 4.27Å; F440-A444 HydrophobicContact CE2-CB 4.01Å; F440-A444 HydrophobicContact CZ-CB 3.98Å; F440-A444 WeakPolarHBondContact O-CA 3.35Å; F440-A444 WeakPolarHBondContact O-CB 3.24Å; F440-A444 PolarHBondContact O-N 3.09Å; F442-A444 VanDerWaalsContact C-N 3.32Å; F442-A444 PolarHBondContact O-N 3.27Å; A444-R448 WeakPolarHBondContact O-CB 3.11Å; A444-R448 PolarHBondContact O-N 2.75Å; A444-R448 VanDerWaalsContact O-N 3.08Å
445Y86.9Confident84.7Confident19 Ų1930.7 Ų30.78%0.07517%0.165CC..Hα-helixtrans-65.7-51.6173.6176.3-88.5000111.1H4 G441 F442 Y443 Y447 R448 F449 Q452 A457H4-Y445 HydrophobicContact CB-CE2 3.99Å; H4-Y445 PolarHBondContact CD2-OH 3.32Å; G441-Y445 VanDerWaalsContact O-CB 3.3Å; G441-Y445 WeakPolarHBondContact O-CB 3.08Å; G441-Y445 PolarHBondContact O-N 2.77Å; G441-Y445 VanDerWaalsContact O-N 3.13Å; F442-Y445 WeakPolarHBondContact O-CB 3.36Å; F442-Y445 PolarHBondContact O-N 2.84Å; Y443-Y445 VanDerWaalsContact C-N 3.34Å; Y443-Y445 PolarHBondContact O-N 3.45Å; Y445-Y447 PolarHBondContact O-N 2.94Å; Y445-R448 PolarHBondContact O-N 2.97Å; Y445-R448 VanDerWaalsContact O-N 3.1Å; Y445-F449 HydrophobicContact CD1-CD2 4.45Å; Y445-F449 AromaticContact CD2-CD2 3.43Å; Y445-F449 HydrophobicContact CD2-CD2 3.43Å; Y445-F449 VanDerWaalsContact CD2-CD2 3.43Å; Y445-F449 AromaticContact CD2-CE2 3.53Å; Y445-F449 HydrophobicContact CD2-CE2 3.53Å; Y445-F449 HydrophobicContact CE1-CD2 4.46Å; Y445-F449 AromaticContact CE2-CD2 3.43Å; Y445-F449 HydrophobicContact CE2-CD2 3.43Å; Y445-F449 VanDerWaalsContact CE2-CD2 3.43Å; Y445-F449 AromaticContact CE2-CE2 3.68Å; Y445-F449 HydrophobicContact CE2-CE2 3.68Å; Y445-F449 HydrophobicContact CE2-CG 4.43Å; Y445-F449 AromaticContact CG-CD2 3.96Å; Y445-F449 HydrophobicContact CG-CD2 3.96Å; Y445-F449 HydrophobicContact CG-CE2 4.37Å; Y445-F449 AromaticContact CZ-CD2 3.97Å; Y445-F449 VanDerWaalsContact O-CD2 3.24Å; Y445-F449 WeakPolarHBondContact O-CD2 3.47Å; Y445-F449 PolarHBondContact O-N 3.39Å; Y445-F449 VanDerWaalsContact O-N 3.09Å; Y445-Q452 WeakPolarHBondContact CE1-O 3.22Å; Y445-Q452 VanDerWaalsContact CZ-O 3.3Å; Y445-Q452 PolarHBondContact OH-O 3.43Å; Y445-A457 HydrophobicContact CD1-CB 3.3Å; Y445-A457 HydrophobicContact CE1-CB 3.42Å; Y445-A457 VanDerWaalsContact CE1-CB 3.42Å; Y445-A457 HydrophobicContact CG-CB 4.03Å
446H85.7Confident84.1Confident17 Ų1732.3 Ų32.38%0.07918%0.175CC..Hα-helixtrans-56.7-51.7-179.4-169.2-68.8000111.7F397 F398 F442 Y443 R448 F449 N450 G451F397-H446 PolarHBondContact O-NE2 3.17Å; F398-H446 WeakPolarHBondContact CA-NE2 3.32Å; F398-H446 AromaticContact CD1-CD2 3.69Å; F398-H446 AromaticContact CD1-CG 3.92Å; F398-H446 AromaticContact CD1-ND1 3.98Å; F398-H446 PolarHBondContact O-NE2 3.05Å; F442-H446 PolarHBondContact O-N 2.81Å; Y443-H446 PolarHBondContact O-N 3.38Å; H446-R448 VanDerWaalsContact C-N 3.28Å; H446-R448 PolarHBondContact O-N 3.16Å; H446-F449 PolarHBondContact O-N 3.37Å; H446-N450 WeakPolarHBondContact O-CA 3.21Å; H446-N450 PolarHBondContact O-N 3Å; H446-G451 PolarHBondContact O-N 2.83Å; H446-G451 VanDerWaalsContact O-N 3.17Å
447Y85.2Confident83.7Confident30 Ų3030.9 Ų30.912%0.11817%0.173CC..Hα-helixtrans-64.9-27.3177.4-96.8-100.1000113.9M326 A333 A334 I337 Y443 Y445M326-Y447 HydrophobicContact CE-CD1 3.92Å; M326-Y447 HydrophobicContact CE-CE1 4.3Å; M326-Y447 WeakPolarHBondContact CG-O 3.34Å; A333-Y447 HydrophobicContact CB-CE1 4.47Å; A334-Y447 HydrophobicContact CB-CD1 4.48Å; A334-Y447 HydrophobicContact CB-CD2 4.04Å; A334-Y447 HydrophobicContact CB-CG 3.82Å; I337-Y447 HydrophobicContact CD1-CE1 4.2Å; I337-Y447 WeakPolarHBondContact CD1-OH 3.27Å; Y443-Y447 WeakPolarHBondContact O-CB 3.46Å; Y443-Y447 PolarHBondContact O-N 3.22Å; Y445-Y447 PolarHBondContact O-N 2.94Å
448R80.8Confident83.5Confident66 Ų6626.2 Ų26.225%0.24915%0.149CC..Hα-helixtrans-80.8-27-179-174.463.5-167.387.7-16.2112.9Y331 A444 Y445 H446Y331-R448 HydrophobicContact CE1-CB 3.92Å; Y331-R448 HydrophobicContact CE1-CG 4.12Å; A444-R448 WeakPolarHBondContact O-CB 3.11Å; A444-R448 PolarHBondContact O-N 2.75Å; A444-R448 VanDerWaalsContact O-N 3.08Å; Y445-R448 PolarHBondContact O-N 2.97Å; Y445-R448 VanDerWaalsContact O-N 3.1Å; H446-R448 VanDerWaalsContact C-N 3.28Å; H446-R448 PolarHBondContact O-N 3.16Å
449F75.4Confident83.1Confident16 Ų1627 Ų277%0.0715%0.151CC..Hα-helixtrans-119-3.5-172.4-59-62.2000114.6M1 H4 K298 Y445 H446 Q452M1-F449 HydrophobicContact SD-CE2 4.44Å; H4-F449 AromaticContact CD2-CG 3.94Å; H4-F449 AromaticContact CE1-CD1 3.12Å; H4-F449 WeakPolarHBondContact CE1-CD1 3.43Å; H4-F449 AromaticContact CE1-CE1 3.36Å; H4-F449 WeakPolarHBondContact CE1-CE1 3.08Å; H4-F449 AromaticContact ND1-CD1 3.68Å; H4-F449 AromaticContact ND1-CE1 3.56Å; H4-F449 AromaticContact ND1-CZ 3.97Å; H4-F449 AromaticContact NE2-CD1 3.67Å; H4-F449 AromaticContact NE2-CG 3.75Å; K298-F449 PolarHBondContact NZ-O 3.24Å; Y445-F449 HydrophobicContact CD1-CD2 4.45Å; Y445-F449 AromaticContact CD2-CD2 3.43Å; Y445-F449 HydrophobicContact CD2-CD2 3.43Å; Y445-F449 VanDerWaalsContact CD2-CD2 3.43Å; Y445-F449 AromaticContact CD2-CE2 3.53Å; Y445-F449 HydrophobicContact CD2-CE2 3.53Å; Y445-F449 HydrophobicContact CE1-CD2 4.46Å; Y445-F449 AromaticContact CE2-CD2 3.43Å; Y445-F449 HydrophobicContact CE2-CD2 3.43Å; Y445-F449 VanDerWaalsContact CE2-CD2 3.43Å; Y445-F449 AromaticContact CE2-CE2 3.68Å; Y445-F449 HydrophobicContact CE2-CE2 3.68Å; Y445-F449 HydrophobicContact CE2-CG 4.43Å; Y445-F449 AromaticContact CG-CD2 3.96Å; Y445-F449 HydrophobicContact CG-CD2 3.96Å; Y445-F449 HydrophobicContact CG-CE2 4.37Å; Y445-F449 AromaticContact CZ-CD2 3.97Å; Y445-F449 VanDerWaalsContact O-CD2 3.24Å; Y445-F449 WeakPolarHBondContact O-CD2 3.47Å; Y445-F449 PolarHBondContact O-N 3.39Å; Y445-F449 VanDerWaalsContact O-N 3.09Å; H446-F449 PolarHBondContact O-N 3.37Å; F449-Q452 PolarHBondContact O-OE1 3.47Å
450N74.1Confident82.9Confident67 Ų6730.3 Ų30.336%0.35817%0.171SC..THydrogen-bonded Turntrans58.662.6-171-6119.5000111.3H446 Q452H446-N450 WeakPolarHBondContact O-CA 3.21Å; H446-N450 PolarHBondContact O-N 3Å; N450-Q452 PolarHBondContact O-N 3.39Å
451G70.9Confident82.7Confident13 Ų1327.7 Ų27.713%0.13416%0.161CC..SBendtrans69.6-5.6170.200000117.8H446 F453 S454H446-G451 PolarHBondContact O-N 2.83Å; H446-G451 VanDerWaalsContact O-N 3.17Å; G451-F453 PolarHBondContact O-N 3.22Å; G451-S454 WeakPolarHBondContact O-CA 3.28Å; G451-S454 WeakPolarHBondContact O-CB 3.41Å; G451-S454 PolarHBondContact O-N 3.17Å; G451-S454 PolarHBondContact O-OG 3.43Å
452Q72.5Confident82.7Confident10 Ų1026.4 Ų26.45%0.04714%0.144CC..THydrogen-bonded Turntrans-58.1122.3-178.6-61.4-171.3-78.700112.2H4 D291 Y445 F449 N450 S454H4-Q452 PolarHBondContact NE2-OE1 2.91Å; D291-Q452 WeakPolarHBondContact OD1-CA 3.45Å; D291-Q452 WeakPolarHBondContact OD1-CB 3.32Å; D291-Q452 WeakPolarHBondContact OD1-CG 3.32Å; Y445-Q452 WeakPolarHBondContact CE1-O 3.22Å; Y445-Q452 VanDerWaalsContact CZ-O 3.3Å; Y445-Q452 PolarHBondContact OH-O 3.43Å; F449-Q452 PolarHBondContact O-OE1 3.47Å; N450-Q452 PolarHBondContact O-N 3.39Å; Q452-S454 VanDerWaalsContact C-N 3.34Å
453F74.2Confident82.5Confident15 Ų1531.1 Ų31.17%0.06617%0.168CC..THydrogen-bonded Turntrans57.140.8-169.8-47.6-71.8000113.2F7 V8 L287 D291 G451 G455 V456 A457F7-F453 HydrophobicContact CB-CE2 4.12Å; F7-F453 HydrophobicContact CB-CZ 4.11Å; F7-F453 HydrophobicContact CD2-CE2 4.23Å; F7-F453 AromaticContact CD2-CZ 3.98Å; F7-F453 HydrophobicContact CD2-CZ 3.98Å; F7-F453 HydrophobicContact CG-CZ 4.25Å; V8-F453 HydrophobicContact CG2-CE2 4.04Å; L287-F453 HydrophobicContact CB-CE1 4.38Å; L287-F453 HydrophobicContact CD1-CE1 4.35Å; L287-F453 HydrophobicContact CD2-CD1 3.9Å; L287-F453 HydrophobicContact CD2-CE1 4.41Å; D291-F453 HydrophobicContact CB-CD1 3.9Å; D291-F453 HydrophobicContact CB-CE1 3.55Å; D291-F453 HydrophobicContact CB-CZ 3.93Å; D291-F453 WeakPolarHBondContact OD2-CA 3.3Å; D291-F453 PolarHBondContact OD2-N 2.92Å; G451-F453 PolarHBondContact O-N 3.22Å; F453-G455 PolarHBondContact O-N 2.87Å; F453-V456 PolarHBondContact O-N 2.94Å; F453-A457 PolarHBondContact O-N 3.35Å
454S77.4Confident82.5Confident19 Ų1936 Ų3613%0.13319%0.19CC..Hα-helixtrans-50.3-55.2179520000112.2T403 G451 Q452 V456 A457 L458T403-S454 WeakPolarHBondContact CG2-OG 3.4Å; G451-S454 WeakPolarHBondContact O-CA 3.28Å; G451-S454 WeakPolarHBondContact O-CB 3.41Å; G451-S454 PolarHBondContact O-N 3.17Å; G451-S454 PolarHBondContact O-OG 3.43Å; Q452-S454 VanDerWaalsContact C-N 3.34Å; S454-V456 PolarHBondContact O-N 2.97Å; S454-A457 PolarHBondContact O-N 3.36Å; S454-A457 VanDerWaalsContact O-N 3.16Å; S454-L458 WeakPolarHBondContact O-CB 3.12Å; S454-L458 PolarHBondContact O-N 3.32Å
455G78.1Confident82.5Confident30 Ų3035.5 Ų35.531%0.30919%0.186SC..Hα-helixtrans-57.7-43.1-177.900000113.1F453 L458 W459F453-G455 PolarHBondContact O-N 2.87Å; G455-L458 WeakPolarHBondContact O-CB 3.46Å; G455-L458 PolarHBondContact O-N 3.28Å; G455-W459 WeakPolarHBondContact O-CB 3.46Å; G455-W459 PolarHBondContact O-N 3.3Å
456V80.2Confident82.6Confident40 Ų4037 Ų3724%0.24219%0.194CC..Hα-helixtrans-75.2-30.5178.3171.90000112.5L3 L287 F453 S454 V460L3-V456 HydrophobicContact CD1-CG1 4.01Å; L287-V456 HydrophobicContact CD2-CB 4.15Å; L287-V456 HydrophobicContact CD2-CG2 3.51Å; F453-V456 PolarHBondContact O-N 2.94Å; S454-V456 PolarHBondContact O-N 2.97Å; V456-V460 HydrophobicContact CG1-CG2 4.44Å; V456-V460 WeakPolarHBondContact O-CB 3.17Å; V456-V460 VanDerWaalsContact O-CG2 3.27Å; V456-V460 WeakPolarHBondContact O-CG2 3.27Å; V456-V460 PolarHBondContact O-N 3.49Å
457A84.6Confident82.7Confident18 Ų1841.6 Ų41.615%0.14922%0.216CC..Hα-helixtrans-66.4-39169.800000112F442 Y445 F453 S454 S461F442-A457 HydrophobicContact CD2-CB 4.17Å; Y445-A457 HydrophobicContact CD1-CB 3.3Å; Y445-A457 HydrophobicContact CE1-CB 3.42Å; Y445-A457 VanDerWaalsContact CE1-CB 3.42Å; Y445-A457 HydrophobicContact CG-CB 4.03Å; F453-A457 PolarHBondContact O-N 3.35Å; S454-A457 PolarHBondContact O-N 3.36Å; S454-A457 VanDerWaalsContact O-N 3.16Å; A457-S461 WeakPolarHBondContact O-CB 3.46Å; A457-S461 PolarHBondContact O-N 3.45Å
458L87.7Confident82.9Confident8 Ų840.4 Ų40.44%0.04221%0.212CC..Hα-helixtrans-63.2-53.2173.9-174.5151.7000110.2Y406 V407 I410 F442 S454 G455 V460 S461 W462Y406-L458 HydrophobicContact CG-CD2 4.48Å; V407-L458 HydrophobicContact CG2-CD1 3.86Å; I410-L458 HydrophobicContact CD1-CD1 4.45Å; I410-L458 HydrophobicContact CD1-CD2 3.68Å; I410-L458 HydrophobicContact CD1-CG 3.89Å; F442-L458 HydrophobicContact CD2-CB 3.99Å; F442-L458 HydrophobicContact CE2-CB 3.68Å; F442-L458 HydrophobicContact CE2-CD1 4.4Å; F442-L458 HydrophobicContact CE2-CG 4.42Å; F442-L458 HydrophobicContact CZ-CB 4.3Å; F442-L458 HydrophobicContact CZ-CD1 4.18Å; S454-L458 WeakPolarHBondContact O-CB 3.12Å; S454-L458 PolarHBondContact O-N 3.32Å; G455-L458 WeakPolarHBondContact O-CB 3.46Å; G455-L458 PolarHBondContact O-N 3.28Å; L458-V460 VanDerWaalsContact C-N 3.34Å; L458-V460 PolarHBondContact O-N 3.03Å; L458-S461 CarbonylContact O-C 3.53Å; L458-S461 WeakPolarHBondContact O-CA 3.42Å; L458-S461 PolarHBondContact O-N 2.93Å; L458-S461 PolarHBondContact O-OG 3.43Å; L458-W462 WeakPolarHBondContact O-CB 3.1Å; L458-W462 PolarHBondContact O-N 2.98Å
459W85Confident83.1Confident78 Ų7837.9 Ų37.930%0.29520%0.203SC..Hα-helixtrans-53.2-46.6176.6-96109.8000113.1I218 P219 I222 G455 W462 L463I218-W459 HydrophobicContact CG2-CH2 4.34Å; I218-W459 HydrophobicContact CG2-CZ2 4.18Å; P219-W459 HydrophobicContact CB-CH2 3.87Å; P219-W459 HydrophobicContact CB-CZ2 4.2Å; P219-W459 HydrophobicContact CG-CH2 4.06Å; I222-W459 HydrophobicContact CD1-CZ2 3.9Å; G455-W459 WeakPolarHBondContact O-CB 3.46Å; G455-W459 PolarHBondContact O-N 3.3Å; W459-W462 PolarHBondContact O-N 2.98Å; W459-L463 WeakPolarHBondContact O-CG 3.44Å; W459-L463 PolarHBondContact O-N 3.25Å
460V86.5Confident83.5Confident70 Ų7042.5 Ų42.542%0.42423%0.228SC..Hα-helixtrans-64.4-41.3176.9170.10000111.2V456 L458 W462 F464V456-V460 HydrophobicContact CG1-CG2 4.44Å; V456-V460 WeakPolarHBondContact O-CB 3.17Å; V456-V460 VanDerWaalsContact O-CG2 3.27Å; V456-V460 WeakPolarHBondContact O-CG2 3.27Å; V456-V460 PolarHBondContact O-N 3.49Å; L458-V460 VanDerWaalsContact C-N 3.34Å; L458-V460 PolarHBondContact O-N 3.03Å; V460-W462 VanDerWaalsContact C-N 3.31Å; V460-W462 PolarHBondContact O-N 2.9Å; V460-F464 HydrophobicContact CG1-CD2 3.95Å; V460-F464 HydrophobicContact CG1-CE2 3.71Å; V460-F464 WeakPolarHBondContact O-CD2 3.45Å; V460-F464 PolarHBondContact O-N 3.47Å
461S90Very high84.1Confident10 Ų1044.9 Ų44.97%0.0723%0.233CC..Hα-helixtrans-64.8-36.417576.40000112.4A457 L458 F464 I465A457-S461 WeakPolarHBondContact O-CB 3.46Å; A457-S461 PolarHBondContact O-N 3.45Å; L458-S461 CarbonylContact O-C 3.53Å; L458-S461 WeakPolarHBondContact O-CA 3.42Å; L458-S461 PolarHBondContact O-N 2.93Å; L458-S461 PolarHBondContact O-OG 3.43Å; S461-F464 PolarHBondContact O-N 2.88Å; S461-I465 VanDerWaalsContact O-CG1 3.31Å; S461-I465 WeakPolarHBondContact O-CG1 3.33Å; S461-I465 PolarHBondContact O-N 3.39Å
462W89.4Confident84.9Confident14 Ų1444.8 Ų44.85%0.05323%0.228CC..Hα-helixtrans-66.6-44.5178.8-179-136000111.8I215 I410 V413 L458 W459 V460 F464 I465 L466I215-W462 HydrophobicContact CD1-CZ2 4.33Å; I215-W462 HydrophobicContact CG2-CZ2 4.04Å; I410-W462 HydrophobicContact CB-CE3 4.25Å; I410-W462 HydrophobicContact CB-CZ3 4.31Å; I410-W462 HydrophobicContact CD1-CB 4.01Å; I410-W462 HydrophobicContact CD1-CD2 4.27Å; I410-W462 HydrophobicContact CD1-CE3 4.16Å; I410-W462 HydrophobicContact CD1-CG 4.25Å; I410-W462 HydrophobicContact CG1-CD2 3.89Å; I410-W462 HydrophobicContact CG1-CE3 3.6Å; I410-W462 HydrophobicContact CG1-CG 4.36Å; I410-W462 HydrophobicContact CG1-CZ3 4.02Å; I410-W462 HydrophobicContact CG2-CE3 3.96Å; I410-W462 HydrophobicContact CG2-CZ3 4.05Å; V413-W462 HydrophobicContact CB-CH2 3.91Å; V413-W462 HydrophobicContact CG1-CH2 3.82Å; V413-W462 HydrophobicContact CG2-CH2 4.39Å; L458-W462 WeakPolarHBondContact O-CB 3.1Å; L458-W462 PolarHBondContact O-N 2.98Å; W459-W462 PolarHBondContact O-N 2.98Å; V460-W462 VanDerWaalsContact C-N 3.31Å; V460-W462 PolarHBondContact O-N 2.9Å; W462-F464 VanDerWaalsContact C-N 3.29Å; W462-F464 PolarHBondContact O-N 2.98Å; W462-I465 HydrophobicContact CE3-CB 4.09Å; W462-I465 HydrophobicContact CE3-CG2 3.95Å; W462-I465 HydrophobicContact CZ3-CB 4.46Å; W462-I465 HydrophobicContact CZ3-CG2 3.82Å; W462-I465 PolarHBondContact O-N 2.91Å; W462-I465 VanDerWaalsContact O-N 3.15Å; W462-L466 HydrophobicContact CD2-CD1 4.09Å; W462-L466 HydrophobicContact CD2-CG 3.95Å; W462-L466 HydrophobicContact CE3-CG 4.17Å; W462-L466 HydrophobicContact CG-CD1 4.36Å; W462-L466 HydrophobicContact CH2-CD2 3.75Å; W462-L466 HydrophobicContact CH2-CG 4.12Å; W462-L466 HydrophobicContact CZ2-CD1 4.03Å; W462-L466 HydrophobicContact CZ2-CD2 3.68Å; W462-L466 HydrophobicContact CZ2-CG 3.89Å; W462-L466 HydrophobicContact CZ3-CD2 4.25Å; W462-L466 HydrophobicContact CZ3-CG 4.26Å; W462-L466 WeakPolarHBondContact O-CB 3.43Å; W462-L466 WeakPolarHBondContact O-CG 3.35Å; W462-L466 PolarHBondContact O-N 2.93Å
463L87.7Confident85.3Confident101 Ų10147.4 Ų47.453%0.52924%0.24SC..Hα-helixtrans-61.4-36.1174.1-68.6173.3000112.3W459 H467W459-L463 WeakPolarHBondContact O-CG 3.44Å; W459-L463 PolarHBondContact O-N 3.25Å; L463-H467 WeakPolarHBondContact O-CB 3.26Å; L463-H467 PolarHBondContact O-N 2.84Å
464F90.5Very high85.8Confident105 Ų10552.8 Ų52.846%0.46127%0.265SS..Hα-helixtrans-70.2-37.5173-78.3-61.4000113.1Y438 V460 S461 W462 S468Y438-F464 HydrophobicContact CD1-CB 3.74Å; Y438-F464 HydrophobicContact CD1-CG 4.27Å; Y438-F464 HydrophobicContact CD2-CB 4.22Å; Y438-F464 HydrophobicContact CE1-CB 3.89Å; Y438-F464 HydrophobicContact CE1-CD1 4.32Å; Y438-F464 HydrophobicContact CE1-CG 4.15Å; Y438-F464 HydrophobicContact CE2-CB 4.35Å; Y438-F464 HydrophobicContact CG-CB 3.93Å; V460-F464 HydrophobicContact CG1-CD2 3.95Å; V460-F464 HydrophobicContact CG1-CE2 3.71Å; V460-F464 WeakPolarHBondContact O-CD2 3.45Å; V460-F464 PolarHBondContact O-N 3.47Å; S461-F464 PolarHBondContact O-N 2.88Å; W462-F464 VanDerWaalsContact C-N 3.29Å; W462-F464 PolarHBondContact O-N 2.98Å; F464-S468 WeakPolarHBondContact O-CB 2.88Å; F464-S468 PolarHBondContact O-N 3.36Å
465I90.6Very high86.1Confident0 Ų056.7 Ų56.70%028%0.281CS..Hα-helixtrans-63.5-53.3174.1-71.5165.7000110I410 F435 Y438 S461 W462 H467 S468 M469I410-I465 HydrophobicContact CG2-CD1 3.86Å; F435-I465 HydrophobicContact CD2-CD1 4.19Å; F435-I465 HydrophobicContact CD2-CG1 4.46Å; F435-I465 HydrophobicContact CD2-CG2 4.49Å; F435-I465 HydrophobicContact CE2-CD1 4.39Å; Y438-I465 HydrophobicContact CD2-CG1 4.35Å; S461-I465 VanDerWaalsContact O-CG1 3.31Å; S461-I465 WeakPolarHBondContact O-CG1 3.33Å; S461-I465 PolarHBondContact O-N 3.39Å; W462-I465 HydrophobicContact CE3-CB 4.09Å; W462-I465 HydrophobicContact CE3-CG2 3.95Å; W462-I465 HydrophobicContact CZ3-CB 4.46Å; W462-I465 HydrophobicContact CZ3-CG2 3.82Å; W462-I465 PolarHBondContact O-N 2.91Å; W462-I465 VanDerWaalsContact O-N 3.15Å; I465-H467 PolarHBondContact O-N 3.46Å; I465-S468 WeakPolarHBondContact O-CA 3.39Å; I465-S468 WeakPolarHBondContact O-CB 3.35Å; I465-S468 PolarHBondContact O-N 3.44Å; I465-S468 PolarHBondContact O-OG 3.32Å; I465-M469 HydrophobicContact CG2-SD 3.87Å; I465-M469 WeakPolarHBondContact O-CG 3.23Å; I465-M469 PolarHBondContact O-N 3.39Å
466L89Confident86.4Confident49 Ų4958.6 Ų58.626%0.25728%0.279SS..Hα-helixtrans-55.9-46.5175.2-74175.9000112.4W462 S468 M469 I470W462-L466 HydrophobicContact CD2-CD1 4.09Å; W462-L466 HydrophobicContact CD2-CG 3.95Å; W462-L466 HydrophobicContact CE3-CG 4.17Å; W462-L466 HydrophobicContact CG-CD1 4.36Å; W462-L466 HydrophobicContact CH2-CD2 3.75Å; W462-L466 HydrophobicContact CH2-CG 4.12Å; W462-L466 HydrophobicContact CZ2-CD1 4.03Å; W462-L466 HydrophobicContact CZ2-CD2 3.68Å; W462-L466 HydrophobicContact CZ2-CG 3.89Å; W462-L466 HydrophobicContact CZ3-CD2 4.25Å; W462-L466 HydrophobicContact CZ3-CG 4.26Å; W462-L466 WeakPolarHBondContact O-CB 3.43Å; W462-L466 WeakPolarHBondContact O-CG 3.35Å; W462-L466 PolarHBondContact O-N 2.93Å; L466-S468 VanDerWaalsContact C-N 3.28Å; L466-S468 PolarHBondContact O-N 2.91Å; L466-M469 HydrophobicContact CD2-SD 4.12Å; L466-M469 PolarHBondContact O-N 3.48Å; L466-I470 VanDerWaalsContact O-CG1 3.32Å; L466-I470 WeakPolarHBondContact O-CG1 3.25Å; L466-I470 PolarHBondContact O-N 2.96Å
467H88.1Confident86.4Confident114 Ų11456.7 Ų56.753%0.52827%0.268SS..Hα-helixtrans-57.8-40.9175.1173.7-94000111.8L463 I465 Y471L463-H467 WeakPolarHBondContact O-CB 3.26Å; L463-H467 PolarHBondContact O-N 2.84Å; I465-H467 PolarHBondContact O-N 3.46Å; H467-Y471 VanDerWaalsContact O-CB 3.27Å; H467-Y471 WeakPolarHBondContact O-CB 3.25Å; H467-Y471 PolarHBondContact O-N 2.82Å
468S89Confident86.1Confident6 Ų658.5 Ų58.54%0.04227%0.274CS..Hα-helixtrans-68.6-37.1176.476.60000113.2F464 I465 L466 Y471 F472F464-S468 WeakPolarHBondContact O-CB 2.88Å; F464-S468 PolarHBondContact O-N 3.36Å; I465-S468 WeakPolarHBondContact O-CA 3.39Å; I465-S468 WeakPolarHBondContact O-CB 3.35Å; I465-S468 PolarHBondContact O-N 3.44Å; I465-S468 PolarHBondContact O-OG 3.32Å; L466-S468 VanDerWaalsContact C-N 3.28Å; L466-S468 PolarHBondContact O-N 2.91Å; S468-Y471 PolarHBondContact O-N 3.4Å; S468-F472 WeakPolarHBondContact O-CB 3.04Å; S468-F472 WeakPolarHBondContact O-CD2 3.38Å; S468-F472 PolarHBondContact O-N 3.45Å
469M84.7Confident85.7Confident12 Ų1261.3 Ų61.36%0.05929%0.293CS..Hα-helixtrans-62-51173-65.6159.474.900110.2V413 Y417 W431 I465 L466 Y471 F472 F473V413-M469 HydrophobicContact CG1-CE 4Å; Y417-M469 HydrophobicContact CD1-CE 4.48Å; Y417-M469 HydrophobicContact CD1-CG 4.2Å; Y417-M469 HydrophobicContact CD2-CB 4.28Å; Y417-M469 HydrophobicContact CD2-CE 3.74Å; Y417-M469 HydrophobicContact CD2-CG 4.36Å; Y417-M469 HydrophobicContact CE1-CB 4.45Å; Y417-M469 HydrophobicContact CE1-CG 4.28Å; Y417-M469 HydrophobicContact CE2-CB 3.99Å; Y417-M469 HydrophobicContact CE2-CG 4.43Å; Y417-M469 HydrophobicContact CG-CE 3.7Å; Y417-M469 HydrophobicContact CG-CG 4.26Å; Y417-M469 PolarHBondContact OH-O 3.13Å; Y417-M469 VanDerWaalsContact OH-O 3.14Å; W431-M469 HydrophobicContact CZ2-CG 3.68Å; W431-M469 HydrophobicContact CZ2-SD 4.49Å; I465-M469 HydrophobicContact CG2-SD 3.87Å; I465-M469 WeakPolarHBondContact O-CG 3.23Å; I465-M469 PolarHBondContact O-N 3.39Å; L466-M469 HydrophobicContact CD2-SD 4.12Å; L466-M469 PolarHBondContact O-N 3.48Å; M469-Y471 VanDerWaalsContact C-N 3.33Å; M469-Y471 PolarHBondContact O-N 2.91Å; M469-F472 PolarHBondContact O-N 3.23Å; M469-F473 WeakPolarHBondContact O-CB 3.37Å; M469-F473 PolarHBondContact O-N 2.97Å
470I84.4Confident85.2Confident114 Ų11460.3 Ų60.359%0.58529%0.293SS*.Hα-helixtrans-60.2-42.8178.8-64.1168.5000111.1L466 H474L466-I470 VanDerWaalsContact O-CG1 3.32Å; L466-I470 WeakPolarHBondContact O-CG1 3.25Å; L466-I470 PolarHBondContact O-N 2.96Å; I470-H474 VanDerWaalsContact O-CB 3.25Å; I470-H474 WeakPolarHBondContact O-CB 3.2Å; I470-H474 PolarHBondContact O-N 3.25Å
471Y86.5Confident84.5Confident117 Ų11758.9 Ų58.946%0.45928%0.283SS..Hα-helixtrans-62.1-50177.9179.3-87.8000112.5H467 S468 M469 H475 Y476H467-Y471 VanDerWaalsContact O-CB 3.27Å; H467-Y471 WeakPolarHBondContact O-CB 3.25Å; H467-Y471 PolarHBondContact O-N 2.82Å; S468-Y471 PolarHBondContact O-N 3.4Å; M469-Y471 VanDerWaalsContact C-N 3.33Å; M469-Y471 PolarHBondContact O-N 2.91Å; Y471-H475 VanDerWaalsContact O-CB 3.3Å; Y471-H475 WeakPolarHBondContact O-CB 3.34Å; Y471-H475 PolarHBondContact O-N 3.28Å; Y471-Y476 HydrophobicContact CE1-CE2 4.35Å
472F86.2Confident83.9Confident11 Ų1162 Ų625%0.04830%0.299CS..Hα-helixtrans-67.8-39.8179.8-88.6-98.4000111.9W431 Y434 S468 M469 Y476 E477W431-F472 HydrophobicContact CB-CD1 3.88Å; W431-F472 HydrophobicContact CB-CD2 4.41Å; W431-F472 HydrophobicContact CB-CE1 4.1Å; W431-F472 HydrophobicContact CB-CG 4.06Å; W431-F472 HydrophobicContact CB-CZ 4.45Å; W431-F472 AromaticContact CD1-CD2 3.83Å; W431-F472 AromaticContact CD1-CG 3.87Å; W431-F472 HydrophobicContact CG-CG 4.34Å; Y434-F472 AromaticContact CD2-CE2 3.69Å; Y434-F472 HydrophobicContact CD2-CE2 3.69Å; Y434-F472 AromaticContact CD2-CZ 3.73Å; Y434-F472 HydrophobicContact CD2-CZ 3.73Å; Y434-F472 AromaticContact CE2-CE2 3.91Å; Y434-F472 HydrophobicContact CE2-CE2 3.91Å; Y434-F472 AromaticContact CE2-CZ 3.69Å; Y434-F472 HydrophobicContact CE2-CZ 3.69Å; Y434-F472 HydrophobicContact CG-CE2 4.43Å; S468-F472 WeakPolarHBondContact O-CB 3.04Å; S468-F472 WeakPolarHBondContact O-CD2 3.38Å; S468-F472 PolarHBondContact O-N 3.45Å; M469-F472 PolarHBondContact O-N 3.23Å; F472-Y476 HydrophobicContact CB-CD2 4.4Å; F472-Y476 AromaticContact CD1-CD2 3.51Å; F472-Y476 HydrophobicContact CD1-CD2 3.51Å; F472-Y476 AromaticContact CD1-CE2 3.7Å; F472-Y476 HydrophobicContact CD1-CE2 3.7Å; F472-Y476 AromaticContact CE1-CD2 3.98Å; F472-Y476 HydrophobicContact CE1-CD2 3.98Å; F472-Y476 AromaticContact CE1-CE2 3.73Å; F472-Y476 HydrophobicContact CE1-CE2 3.73Å; F472-Y476 HydrophobicContact CG-CD2 4.11Å; F472-Y476 HydrophobicContact CG-CE2 4.3Å; F472-Y476 HydrophobicContact CZ-CE2 4.36Å; F472-Y476 PolarHBondContact O-N 3.16Å; F472-E477 PolarHBondContact O-N 2.97Å
473F81.1Confident83.3Confident64 Ų6464.2 Ų64.228%0.28132%0.316SS..Iπ-helixtrans-60-55.1174.3178.3-103.7000111.4Y417 F421 M469 H475 E477 L478 L481Y417-F473 HydrophobicContact CE2-CB 4.38Å; Y417-F473 PolarHBondContact OH-N 2.74Å; F421-F473 AromaticContact CD1-CD2 3.84Å; F421-F473 HydrophobicContact CD1-CD2 3.84Å; F421-F473 AromaticContact CD1-CE2 3.6Å; F421-F473 HydrophobicContact CD1-CE2 3.6Å; F421-F473 HydrophobicContact CE1-CD2 4.39Å; F421-F473 AromaticContact CE1-CE2 3.86Å; F421-F473 HydrophobicContact CE1-CE2 3.86Å; F421-F473 HydrophobicContact CG-CD2 4.4Å; M469-F473 WeakPolarHBondContact O-CB 3.37Å; M469-F473 PolarHBondContact O-N 2.97Å; F473-H475 PolarHBondContact O-N 3.36Å; F473-E477 HydrophobicContact CD2-CB 4.27Å; F473-E477 PolarHBondContact O-N 3.06Å; F473-L478 HydrophobicContact CE1-CB 4.48Å; F473-L478 HydrophobicContact CZ-CD1 4.4Å; F473-L478 VanDerWaalsContact O-CB 3.25Å; F473-L478 WeakPolarHBondContact O-CB 3.44Å; F473-L478 PolarHBondContact O-N 3.48Å; F473-L481 HydrophobicContact CE2-CD1 4.12Å
474H84.8Confident82.7Confident128 Ų12862.9 Ų62.959%0.59331%0.31SS*.Iπ-helixtrans-65.8-36-176.4-177.1-78.4000113.2I470I470-H474 VanDerWaalsContact O-CB 3.25Å; I470-H474 WeakPolarHBondContact O-CB 3.2Å; I470-H474 PolarHBondContact O-N 3.25Å
475H85Confident81.7Confident102 Ų10263.9 Ų63.947%0.47231%0.311SS..Iπ-helixtrans-92.2-27.3-172.7-163.349.9000114.8Y471 F473Y471-H475 VanDerWaalsContact O-CB 3.3Å; Y471-H475 WeakPolarHBondContact O-CB 3.34Å; Y471-H475 PolarHBondContact O-N 3.28Å; F473-H475 PolarHBondContact O-N 3.36Å
476Y83.3Confident81Confident70 Ų7068.3 Ų68.328%0.27533%0.331SS..Iπ-helixtrans-121.1-49.6-174.6-55.6-60000113.9L426 Y471 F472L426-Y476 HydrophobicContact CD2-CD1 3.64Å; L426-Y476 HydrophobicContact CD2-CD2 4.48Å; L426-Y476 HydrophobicContact CD2-CE1 3.4Å; L426-Y476 VanDerWaalsContact CD2-CE1 3.4Å; L426-Y476 HydrophobicContact CD2-CE2 4.29Å; L426-Y476 HydrophobicContact CD2-CG 4.17Å; Y471-Y476 HydrophobicContact CE1-CE2 4.35Å; F472-Y476 HydrophobicContact CB-CD2 4.4Å; F472-Y476 AromaticContact CD1-CD2 3.51Å; F472-Y476 HydrophobicContact CD1-CD2 3.51Å; F472-Y476 AromaticContact CD1-CE2 3.7Å; F472-Y476 HydrophobicContact CD1-CE2 3.7Å; F472-Y476 AromaticContact CE1-CD2 3.98Å; F472-Y476 HydrophobicContact CE1-CD2 3.98Å; F472-Y476 AromaticContact CE1-CE2 3.73Å; F472-Y476 HydrophobicContact CE1-CE2 3.73Å; F472-Y476 HydrophobicContact CG-CD2 4.11Å; F472-Y476 HydrophobicContact CG-CE2 4.3Å; F472-Y476 HydrophobicContact CZ-CE2 4.36Å; F472-Y476 PolarHBondContact O-N 3.16Å
477E81.1Confident80.1Confident0 Ų071.3 Ų71.30%035%0.347CS..Iπ-helixtrans-79.3-40.6-175.5-61.1-62.5155.900112.2F421 R423 T424 S427 F472 F473 N480 L481F421-E477 VanDerWaalsContact O-CG 3.27Å; F421-E477 WeakPolarHBondContact O-CG 3.38Å; R423-E477 WeakPolarHBondContact CB-OE2 3.47Å; R423-E477 VanDerWaalsContact N-CD 3.35Å; R423-E477 PolarHBondContact N-OE1 3.22Å; R423-E477 PolarHBondContact N-OE2 3.38Å; T424-E477 WeakPolarHBondContact CB-OE1 3.22Å; T424-E477 PolarHBondContact N-OE1 3.04Å; T424-E477 PolarHBondContact N-OE2 3.06Å; T424-E477 PolarHBondContact OG1-OE1 2.93Å; S427-E477 WeakPolarHBondContact CB-OE1 3.49Å; F472-E477 PolarHBondContact O-N 2.97Å; F473-E477 HydrophobicContact CD2-CB 4.27Å; F473-E477 PolarHBondContact O-N 3.06Å; E477-N480 PolarHBondContact O-N 2.93Å; E477-L481 HydrophobicContact CB-CD1 4.47Å; E477-L481 WeakPolarHBondContact O-CB 3.37Å; E477-L481 VanDerWaalsContact O-CG 3.24Å; E477-L481 WeakPolarHBondContact O-CG 3.4Å; E477-L481 PolarHBondContact O-N 3.5Å
478L78.1Confident79.3Confident55 Ų5575.1 Ų75.129%0.28836%0.356SS..Hα-helixtrans-59.5-49.1-179.7178.865.3000112F473 N480 L481 L482F473-L478 HydrophobicContact CE1-CB 4.48Å; F473-L478 HydrophobicContact CZ-CD1 4.4Å; F473-L478 VanDerWaalsContact O-CB 3.25Å; F473-L478 WeakPolarHBondContact O-CB 3.44Å; F473-L478 PolarHBondContact O-N 3.48Å; L478-N480 VanDerWaalsContact C-N 3.31Å; L478-N480 PolarHBondContact O-N 2.98Å; L478-L481 PolarHBondContact O-N 3.01Å; L478-L482 HydrophobicContact CD1-CD1 4.36Å; L478-L482 HydrophobicContact CD1-CG 4.24Å; L478-L482 HydrophobicContact CG-CD1 4.19Å; L478-L482 WeakPolarHBondContact O-CB 3.45Å; L478-L482 WeakPolarHBondContact O-CG 3.26Å; L478-L482 PolarHBondContact O-N 2.87Å
479P79.1Confident78.5Confident67 Ų6779.9 Ų79.944%0.43538%0.378SS..Hα-helixtrans-60.5-37.7175.1-23.935.3000113.6L482 S483P479-L482 PolarHBondContact O-N 3.44Å; P479-S483 PolarHBondContact O-N 2.89Å; P479-S483 PolarHBondContact O-OG 3.44Å
480N74.8Confident77.8Confident57 Ų5785.5 Ų85.531%0.30540%0.403SS..Hα-helixtrans-68.3-46.6178.8-167.8100.4000111.6T424 E477 L478 L482 S483 D484T424-N480 HydrophobicContact CG2-CB 3.93Å; E477-N480 PolarHBondContact O-N 2.93Å; L478-N480 VanDerWaalsContact C-N 3.31Å; L478-N480 PolarHBondContact O-N 2.98Å; N480-L482 PolarHBondContact O-N 2.95Å; N480-S483 PolarHBondContact O-N 3.33Å; N480-S483 PolarHBondContact O-OG 3.48Å; N480-D484 PolarHBondContact ND2-OD2 3.48Å; N480-D484 VanDerWaalsContact ND2-OD2 3.15Å; N480-D484 PolarHBondContact O-N 2.96Å
481L71.5Confident77.2Confident41 Ų4183.9 Ų83.922%0.21540%0.398CS..Hα-helixtrans-60.1-33.6173.6-71.3170.1000111.9F473 E477 L478 W485F473-L481 HydrophobicContact CE2-CD1 4.12Å; E477-L481 HydrophobicContact CB-CD1 4.47Å; E477-L481 WeakPolarHBondContact O-CB 3.37Å; E477-L481 VanDerWaalsContact O-CG 3.24Å; E477-L481 WeakPolarHBondContact O-CG 3.4Å; E477-L481 PolarHBondContact O-N 3.5Å; L478-L481 PolarHBondContact O-N 3.01Å; L481-W485 VanDerWaalsContact O-CD1 3.29Å; L481-W485 PolarHBondContact O-N 3.4Å
482L76.5Confident76.3Confident76 Ų7681.8 Ų81.840%0.39840%0.4SS..Hα-helixtrans-66.1-50174.7-70.9171.6000111.2L478 P479 N480 D484 W485 E486L478-L482 HydrophobicContact CD1-CD1 4.36Å; L478-L482 HydrophobicContact CD1-CG 4.24Å; L478-L482 HydrophobicContact CG-CD1 4.19Å; L478-L482 WeakPolarHBondContact O-CB 3.45Å; L478-L482 WeakPolarHBondContact O-CG 3.26Å; L478-L482 PolarHBondContact O-N 2.87Å; P479-L482 PolarHBondContact O-N 3.44Å; N480-L482 PolarHBondContact O-N 2.95Å; L482-D484 VanDerWaalsContact C-N 3.28Å; L482-D484 PolarHBondContact O-N 2.91Å; L482-W485 VanDerWaalsContact CA-CD1 3.5Å; L482-W485 HydrophobicContact CD2-CZ2 4.46Å; L482-W485 PolarHBondContact O-N 2.85Å; L482-W485 PolarHBondContact O-NE1 3.49Å; L482-E486 PolarHBondContact O-N 2.8Å
483S76.6Confident75.2Confident59 Ų5985.3 Ų85.341%0.41342%0.42SS..Hα-helixtrans-63-31.6175.549.50000113.8P479 N480 L487P479-S483 PolarHBondContact O-N 2.89Å; P479-S483 PolarHBondContact O-OG 3.44Å; N480-S483 PolarHBondContact O-N 3.33Å; N480-S483 PolarHBondContact O-OG 3.48Å; S483-L487 VanDerWaalsContact O-CB 3.31Å; S483-L487 WeakPolarHBondContact O-CB 3.48Å; S483-L487 PolarHBondContact O-N 3.04Å
484D76.5Confident74.1Confident73 Ų7387.1 Ų87.139%0.3943%0.432SS..Hα-helixtrans-66.4-38.1177.9-78.8-22.5000112.4N480 L482 R488N480-D484 PolarHBondContact ND2-OD2 3.48Å; N480-D484 VanDerWaalsContact ND2-OD2 3.15Å; N480-D484 PolarHBondContact O-N 2.96Å; L482-D484 VanDerWaalsContact C-N 3.28Å; L482-D484 PolarHBondContact O-N 2.91Å; D484-R488 VanDerWaalsContact O-CB 3.27Å; D484-R488 WeakPolarHBondContact O-CB 3.33Å; D484-R488 PolarHBondContact O-N 3.11Å; D484-R488 VanDerWaalsContact O-N 3.16Å
485W69Low72.6Confident127 Ų12787.8 Ų87.848%0.48144%0.435SS..Hα-helixtrans-76.3-39.917773.6-105.7000112.2L481 L482 L487 R488 E489L481-W485 VanDerWaalsContact O-CD1 3.29Å; L481-W485 PolarHBondContact O-N 3.4Å; L482-W485 VanDerWaalsContact CA-CD1 3.5Å; L482-W485 HydrophobicContact CD2-CZ2 4.46Å; L482-W485 PolarHBondContact O-N 2.85Å; L482-W485 PolarHBondContact O-NE1 3.49Å; W485-L487 PolarHBondContact O-N 3.3Å; W485-R488 PolarHBondContact O-N 3.28Å; W485-E489 PolarHBondContact O-N 3.49Å
486E75.4Confident70.8Confident93 Ų9387.7 Ų87.744%0.43544%0.442SS..Hα-helixtrans-57.6-50.5175.5-72.9-178.2-179.500110.4L482 R488 E489 F490L482-E486 PolarHBondContact O-N 2.8Å; E486-R488 VanDerWaalsContact C-N 3.3Å; E486-R488 PolarHBondContact O-N 3.33Å; E486-E489 PolarHBondContact O-N 2.77Å; E486-F490 HydrophobicContact CB-CE2 4.39Å; E486-F490 WeakPolarHBondContact O-CD2 3.47Å; E486-F490 PolarHBondContact O-N 2.99Å
487L71.2Confident69.1Low111 Ų11188.8 Ų88.858%0.58146%0.455SS*.Hα-helixtrans-60-40177.3-176.764.1000111.9S483 W485 F490 V491S483-L487 VanDerWaalsContact O-CB 3.31Å; S483-L487 WeakPolarHBondContact O-CB 3.48Å; S483-L487 PolarHBondContact O-N 3.04Å; W485-L487 PolarHBondContact O-N 3.3Å; L487-F490 PolarHBondContact O-N 3.16Å; L487-V491 HydrophobicContact CD1-CG2 4.35Å; L487-V491 WeakPolarHBondContact O-CB 3.45Å; L487-V491 VanDerWaalsContact O-CG2 3.28Å; L487-V491 WeakPolarHBondContact O-CG2 3.22Å; L487-V491 PolarHBondContact O-N 2.95Å
488R70.1Confident67.3Low194 Ų19490.4 Ų90.473%0.73247%0.472SS*.Hα-helixtrans-69-34.4179.2-165.7170.5-168.3-97.72112.4D484 W485 E486 S492D484-R488 VanDerWaalsContact O-CB 3.27Å; D484-R488 WeakPolarHBondContact O-CB 3.33Å; D484-R488 PolarHBondContact O-N 3.11Å; D484-R488 VanDerWaalsContact O-N 3.16Å; W485-R488 PolarHBondContact O-N 3.28Å; E486-R488 VanDerWaalsContact C-N 3.3Å; E486-R488 PolarHBondContact O-N 3.33Å; R488-S492 WeakPolarHBondContact O-CB 3.25Å; R488-S492 PolarHBondContact O-N 3.44Å
489E72.6Confident65.7Low106 Ų10696 Ų9650%0.49550%0.497SS..Hα-helixtrans-69.4-47172.9-175.9169.2-178.100111.4W485 E486 V491 S492 N493W485-E489 PolarHBondContact O-N 3.49Å; E486-E489 PolarHBondContact O-N 2.77Å; E489-V491 VanDerWaalsContact C-N 3.34Å; E489-V491 PolarHBondContact O-N 3.3Å; E489-S492 PolarHBondContact O-N 3.12Å; E489-N493 WeakPolarHBondContact O-CB 3.49Å; E489-N493 PolarHBondContact O-N 2.71Å; E489-N493 PolarHBondContact O-ND2 2.74Å
490F70.1Confident64.1Low131 Ų13199.7 Ų99.758%0.57551%0.511SS*.Hα-helixtrans-58.8-42.3174.6-75.6-60.4000112.5E486 L487 N494E486-F490 HydrophobicContact CB-CE2 4.39Å; E486-F490 WeakPolarHBondContact O-CD2 3.47Å; E486-F490 PolarHBondContact O-N 2.99Å; L487-F490 PolarHBondContact O-N 3.16Å; F490-N494 VanDerWaalsContact O-CB 3.23Å; F490-N494 WeakPolarHBondContact O-CB 3.46Å; F490-N494 VanDerWaalsContact O-CG 3.29Å; F490-N494 PolarHBondContact O-N 3.39Å; F490-N494 PolarHBondContact O-ND2 3.27Å; F490-N494 VanDerWaalsContact O-ND2 3.13Å
491V71.1Confident62.3Low80 Ų80104 Ų10449%0.48553%0.529SS..Hα-helixtrans-68.6-41.1176.3170.60000111.6L487 E489 N494 H495L487-V491 HydrophobicContact CD1-CG2 4.35Å; L487-V491 WeakPolarHBondContact O-CB 3.45Å; L487-V491 VanDerWaalsContact O-CG2 3.28Å; L487-V491 WeakPolarHBondContact O-CG2 3.22Å; L487-V491 PolarHBondContact O-N 2.95Å; E489-V491 VanDerWaalsContact C-N 3.34Å; E489-V491 PolarHBondContact O-N 3.3Å; V491-N494 PolarHBondContact O-N 2.8Å; V491-H495 PolarHBondContact O-N 2.98Å
492S68.7Low60.7Low72 Ų72109.8 Ų109.850%0.50356%0.56SS.*Hα-helixtrans-59.4-50.1176.4-175.60000111.4R488 E489 H495 V496R488-S492 WeakPolarHBondContact O-CB 3.25Å; R488-S492 PolarHBondContact O-N 3.44Å; E489-S492 PolarHBondContact O-N 3.12Å; S492-H495 PolarHBondContact O-N 3.37Å; S492-V496 PolarHBondContact O-N 3.48Å
493N62.9Low58.7Low86 Ų86115 Ų11546%0.4658%0.582SS.*Hα-helixtrans-64.9-41.5178.8-69.1-26.6000111.6E489 H495 V496 V497E489-N493 WeakPolarHBondContact O-CB 3.49Å; E489-N493 PolarHBondContact O-N 2.71Å; E489-N493 PolarHBondContact O-ND2 2.74Å; N493-H495 PolarHBondContact O-N 3.02Å; N493-V496 PolarHBondContact O-N 3.26Å; N493-V497 PolarHBondContact O-N 2.76Å
494N57.7Low56.6Low102 Ų102117.4 Ų117.455%0.54559%0.594SS.*Hα-helixtrans-72.1-21.2177.8-75.6-33.4000114.3F490 V491 G498F490-N494 VanDerWaalsContact O-CB 3.23Å; F490-N494 WeakPolarHBondContact O-CB 3.46Å; F490-N494 VanDerWaalsContact O-CG 3.29Å; F490-N494 PolarHBondContact O-N 3.39Å; F490-N494 PolarHBondContact O-ND2 3.27Å; F490-N494 VanDerWaalsContact O-ND2 3.13Å; V491-N494 PolarHBondContact O-N 2.8Å; N494-G498 WeakPolarHBondContact O-CA 3.45Å; N494-G498 PolarHBondContact O-N 3.02Å
495H52.7Low54.7Low141 Ų141118.9 Ų118.965%0.65361%0.61SS**Hα-helixtrans-72.5-34.1171.5-109.536000112.5V491 S492 N493 V497 G498 Q499V491-H495 PolarHBondContact O-N 2.98Å; S492-H495 PolarHBondContact O-N 3.37Å; N493-H495 PolarHBondContact O-N 3.02Å; H495-V497 VanDerWaalsContact C-N 3.34Å; H495-G498 PolarHBondContact O-N 3.33Å; H495-Q499 PolarHBondContact O-N 3.19Å
496V48.5Very low53Low101 Ų101119.2 Ų119.261%0.61263%0.626SS**Hα-helixtrans-66.2-37.7172.4-179.20000111.1S492 N493S492-V496 PolarHBondContact O-N 3.48Å; N493-V496 PolarHBondContact O-N 3.26Å
497V46.5Very low51Low92 Ų92120.7 Ų120.756%0.55864%0.644SS**Hα-helixtrans-75.2-38.7175.7178.50000112.1N493 H495 Q499 I500N493-V497 PolarHBondContact O-N 2.76Å; H495-V497 VanDerWaalsContact C-N 3.34Å; V497-Q499 VanDerWaalsContact C-N 3.31Å; V497-Q499 PolarHBondContact O-N 3.08Å; V497-I500 PolarHBondContact O-N 2.91Å
498G43.9Very low49.2Very low34 Ų34120.8 Ų120.835%0.35165%0.654SS.*Hα-helixtrans-63.9-29.6-175.200000114.5N494 H495 I500N494-G498 WeakPolarHBondContact O-CA 3.45Å; N494-G498 PolarHBondContact O-N 3.02Å; H495-G498 PolarHBondContact O-N 3.33Å; G498-I500 PolarHBondContact O-N 3.12Å
499Q44.8Very low47.3Very low173 Ų173119.3 Ų119.381%0.80866%0.66SS**Hα-helixtrans-75.8-7.1174.8-70.2-167-43.500114.1H495 V497H495-Q499 PolarHBondContact O-N 3.19Å; V497-Q499 VanDerWaalsContact C-N 3.31Å; V497-Q499 PolarHBondContact O-N 3.08Å
500I44.7Very low45.5Very low145 Ų145120.2 Ų120.274%0.74468%0.677SS**Hα-helixtrans-103.2-16.4-177.2-61177.6000112.5V497 G498V497-I500 PolarHBondContact O-N 2.91Å; G498-I500 PolarHBondContact O-N 3.12Å
501H37Very low43.8Very low146 Ų146119.9 Ų119.968%0.67669%0.686SS**Hα-helixtrans-112.31.1-178.2-151.6-61.6000115.2Q503H501-Q503 PolarHBondContact O-N 3.27Å
502L38.3Very low41.9Very low164 Ų164126.6 Ų126.686%0.85970%0.702SS**THydrogen-bonded Turntrans-81.356.3176.7-95.7168.3000113.2
503Q34Very low40.2Very low185 Ų185129.8 Ų129.886%0.86471%0.714SS**THydrogen-bonded Turntrans-142.14.9176-146.8177.6-2700115.1H501H501-Q503 PolarHBondContact O-N 3.27Å
504V33.8Very low38.9Very low109 Ų109130 Ų13066%0.66172%0.723SS**SBendtrans-141.9136.5178.2-171.20000110.7
505S36.1Very low38.1Very low104 Ų104133 Ų13373%0.72773%0.733SS**  trans73.8137.4179.4-44.80000115.4
506T32.3Very low37.1Very low134 Ų134133.2 Ų133.282%0.82274%0.739SS**  cis-158.6162-13.311.50000108.5
507P34Very low36.5Very low124 Ų124133.5 Ų133.581%0.80575%0.752SS**  trans-92.1148-16535.3-35.8000115.7
508S34.5Very low36.1Very low114 Ų114133.8 Ų133.880%0.79776%0.758SS**  trans-153.9134.615660.20000114.2
509L29.7Very low35.9Very low163 Ų163138.9 Ų138.985%0.85378%0.777SS**  trans-11130.1171.4-6085000120
510S33.8Very low35.5Very low124 Ų124138.6 Ų138.687%0.86778%0.781SS**  trans-139.3142.6134.869.80000110.6
511V34.6Very low35Very low124 Ų124138.6 Ų138.675%0.75278%0.782SS**  trans-108.9132.7-172.3169.80000109.8
512R31.8Very low35Very low221 Ų221141.3 Ų141.383%0.83479%0.786SS**  178.1141.5128.9-172.8157.2-72.9161.1-0.7112.5
513N32.3Very low34.9Very low139 Ų139139 Ų13974%0.74378%0.784SS**  trans-16.1145.9164.1-44.3-3000116.3
514S35.6Very low35.2Very low92 Ų92136.4 Ų136.464%0.64378%0.775SS**  -162.5157.950.2-690000115.6
515Q40.5Very low35.4Very low163 Ų163138.3 Ų138.376%0.76278%0.781SS**  trans71.6134.8144.1-77.2166.2-86.100122.1
516D33.1Very low35.6Very low147 Ų147137.6 Ų137.679%0.78678%0.776SS**  trans64.973.5139.7-51.3-20000121
517A35.6Very low35.8Very low106 Ų106138.9 Ų138.988%0.87677%0.772SS**  trans-150.6124.1138.400000111.1
518S38.3Very low36Very low99 Ų99139.7 Ų139.769%0.69277%0.765SS**  trans-115.2154.817655.90000111.7
519N38.9Very low35.9Very low141 Ų141142.4 Ų142.475%0.75477%0.765SS**  trans75.992.7167.4-43.2-60.8000118.3
520L37.1Very low36.1Very low167 Ų167139.7 Ų139.787%0.87476%0.756SS**  -177.696119.6-117.965.7000108.1
521N33.7Very low36Very low144 Ų144142.5 Ų142.577%0.7776%0.755SS**  76118.358.3-162.6-2.3000114.4
522R36.1Very low35.8Very low203 Ų203142.2 Ų142.277%0.76676%0.758SS**  trans96.680.9157.3-160.2-171.2-60.4-152.4-1.3120.5I524R522-I524 HydrophobicContact CG-CD1 4.4Å
523S38Very low35.6Very low116 Ų116137.5 Ų137.581%0.81176%0.76SS**  173.5155.4113.252.50000110.3
524I40.3Very low35.6Very low131 Ų131134.4 Ų134.467%0.67276%0.761SS**  cis174.2125.2-41.6-99.1162.7000104.1R522R522-I524 HydrophobicContact CG-CD1 4.4Å
525N37.9Very low35.3Very low149 Ų149137.6 Ų137.680%0.79777%0.77SS**  trans68.8144.6167.1-63.22.1000118.9
526S38.9Very low34.8Very low88 Ų88136 Ų13662%0.61577%0.766SS**  cis-172.8138.7-1145.40000113.1
527H37.6Very low34.6Very low162 Ų162134 Ų13475%0.7576%0.76SS**  trans56.1156.1143.4-69.6-120.6000119.3
528E37Very low34.4Very low141 Ų141134.7 Ų134.766%0.65975%0.753SS**  cis-148.11432.9-127.5130.6-156.300107
529Q33.9Very low34Very low170 Ų170135.8 Ų135.879%0.79476%0.756SS**  56.613692.7-110.81795.100114.3
530T32.3Very low33.8Very low106 Ų106134.3 Ų134.365%0.6575%0.752SS**  cis-166.712431.4-71.30000107.6
531E32.7Very low33.8Very low184 Ų184134.5 Ų134.586%0.8675%0.748SS**  90.414779.9-156.7-179.3-11900116.5
532S30.8Very low33.8Very low117 Ų117134.4 Ų134.482%0.81875%0.747SS**  trans92.6158.7159.5-149.30000121.1
533S27Very low33.9Very low123 Ų123129.4 Ų129.486%0.8674%0.744SS**  trans-116.9158.9-165.9-540000113
534G31.9Very low33.8Very low74 Ų74126.7 Ų126.776%0.76373%0.734SS**  trans169.687.3165.200000119.1
535D28.9Very low33.6Very low158 Ų158127.6 Ų127.685%0.84574%0.741SS**  trans60.4168.5133.5-124.5-29.2000124.2
536L31Very low33.4Very low130 Ų130127.2 Ų127.268%0.68174%0.738SS**  trans7296.2159.8-9867.8000123
537T28.7Very low33.3Very low106 Ų106131.3 Ų131.365%0.6575%0.747SS**  55.9139.6116.7600000124.7
538T30.5Very low33.2Very low120 Ų120128 Ų12874%0.73674%0.74SS**  trans69.9143.9140.255.70000119
539T29.7Very low32.7Very low122 Ų122128.5 Ų128.575%0.74875%0.747SS**  cis-169174.9-4.618.50000111.3
540V36.3Very low32.8Very low110 Ų110129.5 Ų129.567%0.66775%0.752SS**  trans100.6126.9135.1128.90000120.1
541E35.4Very low32.6Very low170 Ų170132.2 Ų132.279%0.79476%0.761SS**  trans57.2147.7151.8-70.3155.7-150.100120.8
542D34.6Very low32.5Very low142 Ų142128.6 Ų128.676%0.75975%0.754SS**  cis-162.9-168.9-22.8-153.729000106.7
543S38.6Very low32.3Very low98 Ų98129.5 Ų129.569%0.68575%0.75SS**  cis-161.4145.97.1-159.40000112.8
544G36.4Very low32.6Very low60 Ų60130.8 Ų130.862%0.61975%0.747SS**  trans74.3152.8160.400000118.5
545N34.8Very low32.2Very low150 Ų150133.5 Ų133.580%0.80274%0.743SS**  cis-163138-4.7-119.3-0.5000112.1
546L35.2Very low32.1Very low140 Ų140135 Ų13573%0.73374%0.742SS**  trans53151.2157.8-76.178.8000120.8
547E34.9Very low31.9Very low174 Ų174133.4 Ų133.481%0.81374%0.738SS**  cis-161.2163.9-38.6-117.8-157.995.300107.7
548P36.2Very low31.8Very low92 Ų92135.5 Ų135.560%0.59775%0.75SS**  trans-106.7-178.4-161.441.2-37.7000116.3
549N27.5Very low31.8Very low153 Ų153135.1 Ų135.182%0.81875%0.748SS**  trans75.5114164.5-52.2-39.9000118
550E34.4Very low31.7Very low190 Ų190134.6 Ų134.689%0.88875%0.749SS**  -158.2150.2119.5-119.9-178.8-176.300111.6
551L29.3Very low31.7Very low163 Ų163133.1 Ų133.185%0.85374%0.744SS**  trans-120.3125.3174.1-169.3109000108.3
552P30.6Very low31.9Very low108 Ų108129.8 Ų129.870%0.70174%0.735SS**  trans-140.7160.5148.934.6-19000115.7
553N26.2Very low32.1Very low137 Ų137126.2 Ų126.273%0.73372%0.719SS**  trans-60.5152.2171.3-43.7-73.8000113
554N32.5Very low32.6Very low150 Ų150122.2 Ų122.280%0.80269%0.691SS**  trans-174.7122.9137.1-85.5-39.3000106.6
555I25.1Very low33.2Very low131 Ų131121 Ų12167%0.67267%0.669SS**  66.9136.860.8-52.1170.8000111.7
556F26.6Very low33.9Very low189 Ų189116.3 Ų116.383%0.82965%0.648SS**  trans74.5132.8-170.9-73.8-90.2000115.2
557T27Very low34.8Very low96 Ų96115.7 Ų115.759%0.58964%0.641SS**  cis-148.3140.1-6.9-35.30000110.5T559T557-T559 VanDerWaalsContact C-N 3.29Å; T557-T559 HydrophobicContact CG2-CG2 3.94Å; T557-T559 PolarHBondContact O-N 3.06Å; T557-T559 VanDerWaalsContact O-N 3.1Å
558V25.4Very low35.4Very low151 Ų151110.6 Ų110.692%0.91562%0.622SS**  trans-82.777.1163-175.70000109S560V558-S560 PolarHBondContact O-N 3.37Å
559T30.5Very low35.6Very low112 Ų112110 Ų11069%0.68761%0.609SS**  trans-79.1110.8168.147.20000109.1T557 S561T557-T559 VanDerWaalsContact C-N 3.29Å; T557-T559 HydrophobicContact CG2-CG2 3.94Å; T557-T559 PolarHBondContact O-N 3.06Å; T557-T559 VanDerWaalsContact O-N 3.1Å; T559-S561 PolarHBondContact O-N 3.45Å; T559-S561 VanDerWaalsContact O-N 3.08Å
560S28.9Very low36.2Very low111 Ų111104.6 Ų104.678%0.77659%0.589SS**  trans-55.4112.317653.70000111.2V558 V562V558-S560 PolarHBondContact O-N 3.37Å; S560-V562 PolarHBondContact O-N 3.27Å
561S35.4Very low36.4Very low79 Ų7997.5 Ų97.555%0.55257%0.567SS**  trans-71.5111.7168.843.80000109.5T559T559-S561 PolarHBondContact O-N 3.45Å; T559-S561 VanDerWaalsContact O-N 3.08Å
562V39.3Very low37Very low99 Ų9994.1 Ų94.160%0.655%0.549SS*.PPolyproline II helixtrans-61.7125.1156.9-178.20000106.6S560S560-V562 PolarHBondContact O-N 3.27Å
563P38.8Very low37.5Very low67 Ų6794.4 Ų94.444%0.43554%0.541SS..PPolyproline II helixtrans-72.4154.6-179.230.8-36.1000111.5E567 V568P563-E567 WeakPolarHBondContact CA-OE2 3.19Å; P563-E567 HydrophobicContact CB-CB 3.98Å; P563-V568 HydrophobicContact CB-CG2 3.87Å; P563-V568 HydrophobicContact CG-CG2 3.55Å
564S48.7Very low38.1Very low15 Ų1590.8 Ų90.811%0.10553%0.53CS..PPolyproline II helixtrans-73.1164.7171.372.80000112.3S566 E567 V568S564-S566 PolarHBondContact O-N 3.22Å; S564-S566 PolarHBondContact OG-N 3.42Å; S564-S566 PolarHBondContact OG-OG 3.35Å; S564-E567 PolarHBondContact N-OE2 2.83Å; S564-E567 PolarHBondContact O-N 3.17Å; S564-E567 WeakPolarHBondContact OG-CG 3.46Å; S564-E567 PolarHBondContact OG-N 2.94Å; S564-V568 WeakPolarHBondContact O-CG2 3.17Å; S564-V568 PolarHBondContact O-N 2.86Å; S564-V568 VanDerWaalsContact O-N 3.13Å
565F50.2Low38.5Very low33 Ų3389.1 Ų89.115%0.14552%0.521CS..THydrogen-bonded Turntrans-63.4-15.9171.5-77.1-72.4000113.5T342 R350 Y436T342-F565 HydrophobicContact CG2-CZ 3.95Å; R350-F565 PolarHBondContact NH1-O 3.05Å; Y436-F565 HydrophobicContact CE2-CE2 4.09Å; Y436-F565 HydrophobicContact CE2-CZ 4.44Å; Y436-F565 AromaticContact CZ-CE2 3.94Å; Y436-F565 AromaticContact CZ-CZ 3.85Å; Y436-F565 WeakPolarHBondContact OH-CE2 3.38Å; Y436-F565 WeakPolarHBondContact OH-CZ 3.44Å
566S48.7Very low39.2Very low53 Ų5389 Ų8937%0.37152%0.518SS..THydrogen-bonded Turntrans-83.2-47.5171.2240000111.7S564 V568 Y569 G570S564-S566 PolarHBondContact O-N 3.22Å; S564-S566 PolarHBondContact OG-N 3.42Å; S564-S566 PolarHBondContact OG-OG 3.35Å; S566-V568 PolarHBondContact O-N 2.99Å; S566-Y569 PolarHBondContact O-N 3.47Å; S566-G570 PolarHBondContact O-N 3.03Å; S566-G570 VanDerWaalsContact O-N 3.07Å
567E53.9Low39.7Very low126 Ų12682 Ų8259%0.58950%0.498SS*.Hα-helixtrans-61.3-40.7179.8-74.317413700112.8P563 S564 Y569 G571P563-E567 WeakPolarHBondContact CA-OE2 3.19Å; P563-E567 HydrophobicContact CB-CB 3.98Å; S564-E567 PolarHBondContact N-OE2 2.83Å; S564-E567 PolarHBondContact O-N 3.17Å; S564-E567 WeakPolarHBondContact OG-CG 3.46Å; S564-E567 PolarHBondContact OG-N 2.94Å; E567-Y569 PolarHBondContact O-N 3.03Å; E567-G571 PolarHBondContact O-N 3.48Å
568V47.7Very low40.3Very low67 Ų6783 Ų8341%0.40650%0.5SS..Hα-helixtrans-62.4-30.8178.1176.80000112.2P563 S564 S566P563-V568 HydrophobicContact CB-CG2 3.87Å; P563-V568 HydrophobicContact CG-CG2 3.55Å; S564-V568 WeakPolarHBondContact O-CG2 3.17Å; S564-V568 PolarHBondContact O-N 2.86Å; S564-V568 VanDerWaalsContact O-N 3.13Å; S566-V568 PolarHBondContact O-N 2.99Å
569Y41.7Very low40.9Very low80 Ų8081.5 Ų81.531%0.31449%0.486SS..Hα-helixtrans-86.2-39.8-178.5-155.2-98000112.4Q354 S566 E567 G571 I572 E573Q354-Y569 PolarHBondContact NE2-OH 3.04Å; Q354-Y569 VanDerWaalsContact NE2-OH 3.17Å; S566-Y569 PolarHBondContact O-N 3.47Å; E567-Y569 PolarHBondContact O-N 3.03Å; Y569-G571 PolarHBondContact O-N 3.22Å; Y569-I572 WeakPolarHBondContact O-CA 3.33Å; Y569-I572 WeakPolarHBondContact O-CB 3.41Å; Y569-I572 PolarHBondContact O-N 2.94Å; Y569-E573 HydrophobicContact CD1-CG 3.89Å; Y569-E573 VanDerWaalsContact CE1-CD 3.47Å; Y569-E573 HydrophobicContact CE1-CG 3.73Å; Y569-E573 PolarHBondContact O-N 3.39Å; Y569-E573 VanDerWaalsContact O-N 3.1Å
570G39.2Very low41.2Very low39 Ų3982.6 Ų82.640%0.40249%0.487SS..Hα-helixtrans-60.3-31.8177.200000113.5S566 I572 A574S566-G570 PolarHBondContact O-N 3.03Å; S566-G570 VanDerWaalsContact O-N 3.07Å; G570-I572 VanDerWaalsContact C-N 3.25Å; G570-I572 PolarHBondContact O-N 3.32Å; G570-A574 WeakPolarHBondContact O-CB 3.41Å; G570-A574 PolarHBondContact O-N 2.92Å
571G39.7Very low41.7Very low42 Ų4280.8 Ų80.843%0.43347%0.474SS..Hα-helixtrans-69.3-16.5172.100000114.9E567 Y569 N575E567-G571 PolarHBondContact O-N 3.48Å; Y569-G571 PolarHBondContact O-N 3.22Å; G571-N575 PolarHBondContact O-ND2 2.86Å
572I41.3Very low41.8Very low91 Ų9183.1 Ų83.147%0.46748%0.481SS..Hα-helixtrans-93.3-45.9178.3-62.5172.7000110Y569 G570 A574 N575 Q576Y569-I572 WeakPolarHBondContact O-CA 3.33Å; Y569-I572 WeakPolarHBondContact O-CB 3.41Å; Y569-I572 PolarHBondContact O-N 2.94Å; G570-I572 VanDerWaalsContact C-N 3.25Å; G570-I572 PolarHBondContact O-N 3.32Å; I572-A574 VanDerWaalsContact C-N 3.3Å; I572-A574 PolarHBondContact O-N 3.32Å; I572-N575 PolarHBondContact O-N 2.96Å; I572-Q576 PolarHBondContact O-N 3.45Å; I572-Q576 VanDerWaalsContact O-N 3.13Å
573E40.8Very low41.5Very low115 Ų11584.7 Ų84.754%0.53749%0.486SS..Hα-helixtrans-60.8-37.4177.6-69.7-175.7126.300112.4Y569 N575 Q576 G577Y569-E573 HydrophobicContact CD1-CG 3.89Å; Y569-E573 VanDerWaalsContact CE1-CD 3.47Å; Y569-E573 HydrophobicContact CE1-CG 3.73Å; Y569-E573 PolarHBondContact O-N 3.39Å; Y569-E573 VanDerWaalsContact O-N 3.1Å; E573-N575 PolarHBondContact O-N 3.33Å; E573-Q576 PolarHBondContact O-N 2.93Å; E573-Q576 VanDerWaalsContact O-N 3.14Å; E573-G577 PolarHBondContact O-N 3.12Å
574A38.5Very low41.3Very low61 Ų6187.7 Ų87.750%0.50450%0.503SS..Hα-helixtrans-57-46.9174.200000112.5G570 I572 Q576 G577 D578G570-A574 WeakPolarHBondContact O-CB 3.41Å; G570-A574 PolarHBondContact O-N 2.92Å; I572-A574 VanDerWaalsContact C-N 3.3Å; I572-A574 PolarHBondContact O-N 3.32Å; A574-Q576 VanDerWaalsContact C-N 3.27Å; A574-Q576 PolarHBondContact O-N 2.81Å; A574-G577 PolarHBondContact O-N 2.83Å; A574-D578 PolarHBondContact O-N 3.08Å
575N41.9Very low40.5Very low115 Ų11591.3 Ų91.362%0.61553%0.534SS*.Hα-helixtrans-68.6-25.1178-78.7-72.2000113G571 I572 E573G571-N575 PolarHBondContact O-ND2 2.86Å; I572-N575 PolarHBondContact O-N 2.96Å; E573-N575 PolarHBondContact O-N 3.33Å
576Q38.5Very low39.7Very low129 Ų12998.3 Ų98.360%0.60357%0.572SS**Hα-helixtrans-87-24.2-179.4-161.3154.9-7.600112.8I572 E573 A574I572-Q576 PolarHBondContact O-N 3.45Å; I572-Q576 VanDerWaalsContact O-N 3.13Å; E573-Q576 PolarHBondContact O-N 2.93Å; E573-Q576 VanDerWaalsContact O-N 3.14Å; A574-Q576 VanDerWaalsContact C-N 3.27Å; A574-Q576 PolarHBondContact O-N 2.81Å
577G37.8Very low38.9Very low40 Ų40102 Ų10241%0.41259%0.592SS.*Hα-helixtrans-67-48168.800000113.1E573 A574 L579 L580 S581E573-G577 PolarHBondContact O-N 3.12Å; A574-G577 PolarHBondContact O-N 2.83Å; G577-L579 PolarHBondContact O-N 3.11Å; G577-L580 PolarHBondContact O-N 2.93Å; G577-L580 VanDerWaalsContact O-N 3.08Å; G577-S581 PolarHBondContact O-N 3.14Å
578D39Very low38Very low117 Ų117105.5 Ų105.563%0.62661%0.608SS**THydrogen-bonded Turntrans-68.6-16-177.2-75.4-19.9000114.2A574 S581 N582A574-D578 PolarHBondContact O-N 3.08Å; D578-S581 PolarHBondContact O-OG 3Å; D578-N582 PolarHBondContact O-ND2 3.28Å
579L37.4Very low37.2Very low121 Ų121107.5 Ų107.563%0.63463%0.625SS**THydrogen-bonded Turntrans-86.7-18.8173.6-98.3160.7000113.9G577 N583G577-L579 PolarHBondContact O-N 3.11Å; L579-N583 PolarHBondContact O-ND2 3.37Å; L579-N583 VanDerWaalsContact O-ND2 3.11Å
580L36.9Very low37.1Very low135 Ų135109.4 Ų109.471%0.70765%0.648SS**THydrogen-bonded Turntrans-94.7-21177.9-77.1166.8000113.1G577G577-L580 PolarHBondContact O-N 2.93Å; G577-L580 VanDerWaalsContact O-N 3.08Å
581S39.7Very low36.9Very low72 Ų72113 Ų11350%0.50366%0.662SS.*SBendtrans-77.5-21.5178.457.40000114.8G577 D578G577-S581 PolarHBondContact O-N 3.14Å; D578-S581 PolarHBondContact O-OG 3Å
582N37.2Very low36.7Very low129 Ų129118.1 Ų118.169%0.6968%0.68SS**SBendtrans-97.9-1.3-170.2-82.2-60.9000115.9D578D578-N582 PolarHBondContact O-ND2 3.28Å
583N34.8Very low36.3Very low131 Ų131119 Ų11970%0.70169%0.693SS**SBendtrans-108.413.3-169.1-80-53.5000115.8L579L579-N583 PolarHBondContact O-ND2 3.37Å; L579-N583 VanDerWaalsContact O-ND2 3.11Å
584T34.1Very low36.2Very low131 Ų131117 Ų11780%0.80470%0.697SS**SBendtrans-118.637.3-175.339.40000114
585A32.1Very low36.2Very low91 Ų91121.2 Ų121.275%0.75271%0.711SS**  trans-143.355.5-178.800000114.3
586L33.3Very low36Very low179 Ų179122.5 Ų122.594%0.93772%0.717SS**  trans-125.494.6166.5-86.9172.2000111.5
587T31Very low36Very low130 Ų130122.8 Ų122.880%0.79872%0.723SS**  trans-78.7132.2165.148.80000110.6
588E36.4Very low36Very low200 Ų200129.7 Ų129.794%0.93574%0.744SS**  trans-168.1153.2135.1-110.5166-151.300110.9
589S30Very low35.9Very low109 Ų109129.4 Ų129.476%0.76275%0.751SS**  trans-128.4149.3-179.5177.50000109.4
590P39.5Very low36.1Very low120 Ų120136.6 Ų136.678%0.77978%0.782SS**  trans-129.7145.3144.834-22.4000114
591T34.3Very low36Very low115 Ų115136.7 Ų136.771%0.70679%0.785SS**  trans-59.8145.7170.449.60000113.5
592N36.7Very low35.8Very low150 Ų150140.1 Ų140.180%0.80280%0.8SS**  -169.9158108.8-96.6-30.6000115.1
593S33.3Very low35.8Very low108 Ų108140.7 Ų140.776%0.75581%0.806SS**  trans-47.8161.8171.6520000114.6
594A38.8Very low35.8Very low75 Ų75141.2 Ų141.262%0.6281%0.813SS**  cis-166.6169.441.100000115.2
595N38.5Very low35.9Very low149 Ų149141.9 Ų141.980%0.79781%0.813SS**  trans68.9147.4154.9-62.4-9.1000118.9
596L37.5Very low36.2Very low142 Ų142145.3 Ų145.374%0.74382%0.817SS**  cis-163153-33.4-136.5158.2000107.5
597N36.9Very low36.4Very low135 Ų135142.9 Ų142.972%0.72281%0.809SS**  trans-50143.4-179.8-45.6-14.6000113.8
598H38.3Very low36.8Very low184 Ų184143.8 Ų143.885%0.85281%0.809SS**  -159.6157.6106.1-119.2-84.7000112.5
599S36.4Very low36.9Very low112 Ų112139.2 Ų139.278%0.78380%0.799SS**  trans-88.2136.1-179-350000112.5
600E42.2Very low37.5Very low271 Ų271141.9 Ų141.9100%1.26680%0.802SS**  trans-151.10132.3-135173.2176.700109.2

Retrieved 600 of 600 residues in 845.1 ms (Link to these results)

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