A0A087XVA9_POEFO Loading...

Hemoglobin subunit alpha-B-like

Involved in oxygen transport from gills to the various peripheral tissues.

AlphaFold DB , UniProt , Accession A0A087XVA9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 143 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
1M65.3Low94.3Very high153 Ų15368.5 Ų68.575%0.75439%0.389SS*.  01260-75.8-177.1-95.600107.7N133M1-N133 PolarHBondContact O-ND2 3.35Å; M1-N133 PolarHBondContact O-OD1 3.41Å
2S89.6Confident94.7Very high101 Ų10170.6 Ų70.671%0.70639%0.39SS*.PPolyproline II helixtrans-69.2155.6175.850.90000111.6K129S2-K129 VanDerWaalsContact O-CE 3.27Å; S2-K129 WeakPolarHBondContact O-CE 3.5Å; S2-K129 PolarHBondContact O-NZ 2.97Å; S2-K129 VanDerWaalsContact O-NZ 3.14Å
3L96.6Very high95Very high22 Ų2269.7 Ų69.712%0.11540%0.397CS..PPolyproline II helixtrans-83.9123.7173.7-63.8172.3000109.5D7 K8 I75 L78 K129 F130L3-D7 HydrophobicContact CB-CB 4.21Å; L3-D7 HydrophobicContact CD2-CB 3.84Å; L3-K8 HydrophobicContact CB-CG 3.97Å; L3-I75 HydrophobicContact CD1-CD1 3.93Å; L3-I75 HydrophobicContact CD1-CG1 3.62Å; L3-L78 HydrophobicContact CD1-CD1 4.45Å; L3-K129 HydrophobicContact CD2-CB 3.75Å; L3-F130 HydrophobicContact CD1-CB 4.27Å; L3-F130 HydrophobicContact CD1-CD2 4.06Å; L3-F130 HydrophobicContact CD2-CB 4.15Å
4S98.1Very high95.2Very high54 Ų5465.3 Ų65.338%0.37837%0.372SS..PPolyproline II helixtrans-73.2166.2167.867.40000110.5K6 D7 K8S4-K6 PolarHBondContact O-N 3.15Å; S4-D7 WeakPolarHBondContact CB-OD2 3.36Å; S4-D7 PolarHBondContact N-OD2 3.1Å; S4-D7 WeakPolarHBondContact O-CB 3.24Å; S4-D7 PolarHBondContact O-N 2.84Å; S4-D7 PolarHBondContact OG-N 2.59Å; S4-D7 VanDerWaalsContact OG-N 3.15Å; S4-D7 PolarHBondContact OG-OD2 3.36Å; S4-K8 WeakPolarHBondContact O-CG 3.45Å; S4-K8 PolarHBondContact O-N 2.74Å
5D98.1Very high95.4Very high130 Ų13062.8 Ų62.870%0.69535%0.354SS*.Hα-helixtrans-61.3-33.2175.2-63.3-26.5000112.2K8 A9D5-K8 PolarHBondContact O-N 3.24Å; D5-K8 IonicContact OD1-NZ 2.73Å; D5-A9 WeakPolarHBondContact O-CB 3.46Å; D5-A9 PolarHBondContact O-N 2.96Å
6K97.7Very high95.6Very high155 Ų15563.4 Ų63.467%0.67437%0.37SS*.Hα-helixtrans-62.2-43.7171.8-175.1179.6177-177.40111.6S4 A9 A10S4-K6 PolarHBondContact O-N 3.15Å; K6-A9 PolarHBondContact O-N 3.41Å; K6-A10 WeakPolarHBondContact O-CB 3.27Å; K6-A10 PolarHBondContact O-N 3.46Å
7D98.5Very high95.7Very high10 Ų1066.3 Ų66.35%0.05338%0.377CS..Hα-helixtrans-63-46.4177.6-62.2-56.5000111.3L3 S4 A9 A10 V11 S126 K129L3-D7 HydrophobicContact CB-CB 4.21Å; L3-D7 HydrophobicContact CD2-CB 3.84Å; S4-D7 WeakPolarHBondContact CB-OD2 3.36Å; S4-D7 PolarHBondContact N-OD2 3.1Å; S4-D7 WeakPolarHBondContact O-CB 3.24Å; S4-D7 PolarHBondContact O-N 2.84Å; S4-D7 PolarHBondContact OG-N 2.59Å; S4-D7 VanDerWaalsContact OG-N 3.15Å; S4-D7 PolarHBondContact OG-OD2 3.36Å; D7-A9 VanDerWaalsContact C-N 3.33Å; D7-A9 PolarHBondContact O-N 3Å; D7-A10 PolarHBondContact O-N 2.98Å; D7-V11 VanDerWaalsContact O-CG2 3.28Å; D7-V11 WeakPolarHBondContact O-CG2 3.3Å; D7-V11 PolarHBondContact O-N 2.97Å; D7-S126 WeakPolarHBondContact CA-OG 3.29Å; D7-S126 WeakPolarHBondContact OD1-CB 3.48Å; D7-S126 PolarHBondContact OD1-OG 3.5Å; D7-K129 IonicContact OD1-NZ 3.99Å; D7-K129 IonicContact OD2-NZ 3.8Å; D7-K129 PolarHBondContact OD2-NZ 3.43Å
8K98.5Very high95.8Very high40 Ų4062.6 Ų62.617%0.17436%0.356CS..Hα-helixtrans-60.9-43.6179.1-64.2173-171.1176.30111.1L3 S4 D5 V11 K12 I75 D76L3-K8 HydrophobicContact CB-CG 3.97Å; S4-K8 WeakPolarHBondContact O-CG 3.45Å; S4-K8 PolarHBondContact O-N 2.74Å; D5-K8 PolarHBondContact O-N 3.24Å; D5-K8 IonicContact OD1-NZ 2.73Å; K8-V11 PolarHBondContact O-N 3.05Å; K8-K12 WeakPolarHBondContact O-CB 3.47Å; K8-K12 VanDerWaalsContact O-CG 3.29Å; K8-K12 WeakPolarHBondContact O-CG 3.45Å; K8-K12 PolarHBondContact O-N 2.82Å; K8-I75 HydrophobicContact CB-CD1 4.29Å; K8-I75 HydrophobicContact CB-CG2 4.36Å; K8-I75 HydrophobicContact CD-CG2 4.25Å; K8-I75 HydrophobicContact CG-CD1 4.18Å; K8-I75 HydrophobicContact CG-CG1 4.26Å; K8-I75 HydrophobicContact CG-CG2 4.13Å; K8-D76 WeakPolarHBondContact CD-OD1 3.5Å; K8-D76 VanDerWaalsContact CE-OD1 3.31Å; K8-D76 WeakPolarHBondContact CE-OD1 3.12Å; K8-D76 IonicContact NZ-OD1 3.75Å; K8-D76 PolarHBondContact NZ-OD1 3.31Å
9A98.5Very high95.8Very high61 Ų6164.6 Ų64.650%0.50436%0.362SS..Hα-helixtrans-62.7-45.6177.600000111.7D5 K6 D7 K12 A13D5-A9 WeakPolarHBondContact O-CB 3.46Å; D5-A9 PolarHBondContact O-N 2.96Å; K6-A9 PolarHBondContact O-N 3.41Å; D7-A9 VanDerWaalsContact C-N 3.33Å; D7-A9 PolarHBondContact O-N 3Å; A9-K12 PolarHBondContact O-N 3.13Å; A9-A13 VanDerWaalsContact O-CB 3.27Å; A9-A13 WeakPolarHBondContact O-CB 3.4Å; A9-A13 PolarHBondContact O-N 3.07Å
10A98.5Very high95.8Very high23 Ų2365.5 Ų65.519%0.1939%0.386CS..Hα-helixtrans-61.3-45.7177.700000112.1K6 D7 A13 L14K6-A10 WeakPolarHBondContact O-CB 3.27Å; K6-A10 PolarHBondContact O-N 3.46Å; D7-A10 PolarHBondContact O-N 2.98Å; A10-A13 PolarHBondContact O-N 2.98Å; A10-L14 PolarHBondContact O-N 3.36Å
11V98.6Very high95.9Very high5 Ų567.3 Ų67.33%0.0339%0.389CS..Hα-helixtrans-62.1-46.9177.6171.10000111.2D7 K8 A13 W15 V72 I75 V127 F130D7-V11 VanDerWaalsContact O-CG2 3.28Å; D7-V11 WeakPolarHBondContact O-CG2 3.3Å; D7-V11 PolarHBondContact O-N 2.97Å; K8-V11 PolarHBondContact O-N 3.05Å; V11-A13 PolarHBondContact O-N 3.34Å; V11-W15 VanDerWaalsContact O-CB 3.24Å; V11-W15 WeakPolarHBondContact O-CB 3.2Å; V11-W15 PolarHBondContact O-N 3.26Å; V11-V72 HydrophobicContact CG1-CG1 4.42Å; V11-V72 HydrophobicContact CG1-CG2 4Å; V11-I75 HydrophobicContact CB-CD1 4.09Å; V11-I75 HydrophobicContact CG1-CD1 3.86Å; V11-V127 HydrophobicContact CG2-CG2 4.32Å; V11-F130 HydrophobicContact CG1-CB 4.37Å; V11-F130 HydrophobicContact CG1-CD1 3.97Å; V11-F130 HydrophobicContact CG1-CD2 4.2Å; V11-F130 HydrophobicContact CG1-CE1 4.3Å; V11-F130 HydrophobicContact CG1-CG 3.92Å; V11-F130 HydrophobicContact CG2-CB 3.74Å; V11-F130 HydrophobicContact CG2-CG 4.21Å
12K98.6Very high97.4Very high93 Ų9360.6 Ų60.640%0.40436%0.358SS..Hα-helixtrans-62.5-42.1177.7-73.3177.8-175.5179.40111.8K8 A9 W15 A16 V72 I75K8-K12 WeakPolarHBondContact O-CB 3.47Å; K8-K12 VanDerWaalsContact O-CG 3.29Å; K8-K12 WeakPolarHBondContact O-CG 3.45Å; K8-K12 PolarHBondContact O-N 2.82Å; A9-K12 PolarHBondContact O-N 3.13Å; K12-W15 PolarHBondContact O-N 3.2Å; K12-A16 PolarHBondContact O-N 2.99Å; K12-V72 HydrophobicContact CG-CG1 3.98Å; K12-I75 VanDerWaalsContact CE-CG2 3.49Å
13A98.4Very high97.7Very high59 Ų5958.6 Ų58.649%0.48835%0.347SS..Hα-helixtrans-65.1-44.918000000112.4A9 A10 V11A9-A13 VanDerWaalsContact O-CB 3.27Å; A9-A13 WeakPolarHBondContact O-CB 3.4Å; A9-A13 PolarHBondContact O-N 3.07Å; A10-A13 PolarHBondContact O-N 2.98Å; V11-A13 PolarHBondContact O-N 3.34Å
14L98.4Very high97.8Very high8 Ų863.1 Ų63.14%0.04237%0.368CS..Hα-helixtrans-65.7-43.8174.3-17768.8000110.9A10 A16 K17 A18 L111 F115 D118 F119 V123 V127A10-L14 PolarHBondContact O-N 3.36Å; L14-A16 VanDerWaalsContact C-N 3.28Å; L14-A16 PolarHBondContact O-N 3.42Å; L14-K17 WeakPolarHBondContact O-CB 3.5Å; L14-K17 PolarHBondContact O-N 3.19Å; L14-A18 WeakPolarHBondContact O-CB 3.26Å; L14-A18 PolarHBondContact O-N 3.19Å; L14-L111 HydrophobicContact CD2-CD1 4.28Å; L14-L111 HydrophobicContact CD2-CD2 4.46Å; L14-F115 HydrophobicContact CD1-CB 4.11Å; L14-F115 HydrophobicContact CD1-CD2 4.46Å; L14-F115 HydrophobicContact CD1-CG 4.29Å; L14-D118 HydrophobicContact CD1-CB 4.13Å; L14-F119 HydrophobicContact CD2-CD2 3.77Å; L14-F119 HydrophobicContact CD2-CE2 3.85Å; L14-V123 HydrophobicContact CB-CG1 4.27Å; L14-V123 HydrophobicContact CD2-CG1 3.83Å; L14-V123 HydrophobicContact CG-CG1 4.45Å; L14-V127 HydrophobicContact CD2-CG2 3.7Å
15W98.4Very high97.8Very high28 Ų2860.6 Ų60.611%0.10635%0.35CS..Hα-helixtrans-59.4-39.2-179.7-173-98.4000112.5V11 K12 K17 A18 E19 A22 M65 L68 V72V11-W15 VanDerWaalsContact O-CB 3.24Å; V11-W15 WeakPolarHBondContact O-CB 3.2Å; V11-W15 PolarHBondContact O-N 3.26Å; K12-W15 PolarHBondContact O-N 3.2Å; W15-K17 PolarHBondContact O-N 2.94Å; W15-A18 HydrophobicContact CE3-CB 4.49Å; W15-A18 CarbonylContact O-C 3.29Å; W15-A18 PolarHBondContact O-N 2.75Å; W15-E19 PolarHBondContact O-N 2.83Å; W15-A22 HydrophobicContact CH2-CB 4.22Å; W15-A22 HydrophobicContact CZ2-CB 4.36Å; W15-M65 HydrophobicContact CH2-CB 4.49Å; W15-M65 HydrophobicContact CH2-CE 3.72Å; W15-M65 WeakPolarHBondContact CH2-O 3.23Å; W15-M65 HydrophobicContact CH2-SD 4.46Å; W15-M65 HydrophobicContact CZ3-CE 3.57Å; W15-M65 HydrophobicContact CZ3-SD 4.49Å; W15-L68 HydrophobicContact CH2-CB 4.13Å; W15-L68 HydrophobicContact CZ3-CB 4.33Å; W15-V72 HydrophobicContact CB-CG1 3.89Å; W15-V72 HydrophobicContact CB-CG2 4.23Å; W15-V72 HydrophobicContact CD2-CB 4.5Å; W15-V72 HydrophobicContact CD2-CG2 3.95Å; W15-V72 HydrophobicContact CE3-CG2 4.21Å; W15-V72 HydrophobicContact CG-CB 4.15Å; W15-V72 HydrophobicContact CG-CG1 3.88Å; W15-V72 HydrophobicContact CG-CG2 3.92Å
16A98.3Very high97.8Very high73 Ų7354.5 Ų54.560%0.60332%0.318SS*.Hα-helixtrans-59-31.8176.500000113.1K12 L14K12-A16 PolarHBondContact O-N 2.99Å; L14-A16 VanDerWaalsContact C-N 3.28Å; L14-A16 PolarHBondContact O-N 3.42Å
17K97.7Very high97.8Very high112 Ų11247.3 Ų47.349%0.48729%0.288SS..Hα-helixtrans-79.1-33.4173.5-60.9177177.5178.40112.1L14 W15 F115 D118L14-K17 WeakPolarHBondContact O-CB 3.5Å; L14-K17 PolarHBondContact O-N 3.19Å; W15-K17 PolarHBondContact O-N 2.94Å; K17-F115 HydrophobicContact CB-CD1 4.35Å; K17-F115 HydrophobicContact CB-CE1 4.01Å; K17-F115 WeakPolarHBondContact O-CZ 3.41Å; K17-D118 IonicContact NZ-OD1 3.3Å; K17-D118 PolarHBondContact NZ-OD1 2.91Å; K17-D118 IonicContact NZ-OD2 3Å
18A97.1Very high97.8Very high0 Ų049 Ų490%030%0.296CS..Hα-helixtrans-78.7-29-177.300000114.5L14 W15 G20 K21 A22 M25 L111 F115L14-A18 WeakPolarHBondContact O-CB 3.26Å; L14-A18 PolarHBondContact O-N 3.19Å; W15-A18 HydrophobicContact CE3-CB 4.49Å; W15-A18 CarbonylContact O-C 3.29Å; W15-A18 PolarHBondContact O-N 2.75Å; A18-G20 VanDerWaalsContact C-N 3.31Å; A18-G20 PolarHBondContact O-N 3.01Å; A18-K21 CarbonylContact O-C 3.25Å; A18-K21 PolarHBondContact O-N 3.02Å; A18-A22 PolarHBondContact O-N 3.02Å; A18-M25 HydrophobicContact CB-CE 3.64Å; A18-M25 VanDerWaalsContact O-CE 3.23Å; A18-M25 WeakPolarHBondContact O-CE 3.24Å; A18-L111 HydrophobicContact CB-CD2 4.15Å; A18-F115 HydrophobicContact CB-CE2 3.82Å; A18-F115 HydrophobicContact CB-CZ 4.14Å
19E95.1Very high97.8Very high101 Ų10147.2 Ų47.247%0.47229%0.288SS..G310 helixtrans-55.1-42.2-168.2-173169.5-14900112.9W15 K21 A22 K73W15-E19 PolarHBondContact O-N 2.83Å; E19-K21 PolarHBondContact O-N 3.32Å; E19-A22 VanDerWaalsContact O-CB 3.28Å; E19-A22 WeakPolarHBondContact O-CB 3.37Å; E19-A22 PolarHBondContact O-N 3.06Å; E19-K73 IonicContact OE1-NZ 2.7Å
20G97Very high97.8Very high82 Ų8244.3 Ų44.385%0.84526%0.264SS*.G310 helixtrans-64.2-20.9179.300000114.8A18A18-G20 VanDerWaalsContact C-N 3.31Å; A18-G20 PolarHBondContact O-N 3.01Å
21K96.9Very high97.8Very high103 Ų10343.2 Ų43.245%0.44826%0.255SS..G310 helixtrans-113.57.7178.2-61.8-174.6-179.1-178.40112.8A18 E19 A23 E24 M25 Y114A18-K21 CarbonylContact O-C 3.25Å; A18-K21 PolarHBondContact O-N 3.02Å; E19-K21 PolarHBondContact O-N 3.32Å; K21-A23 VanDerWaalsContact C-N 3.26Å; K21-A23 PolarHBondContact O-N 3.38Å; K21-E24 PolarHBondContact O-N 3.23Å; K21-E24 VanDerWaalsContact O-N 3.13Å; K21-M25 HydrophobicContact CB-CE 4.09Å; K21-M25 HydrophobicContact CB-CG 4.49Å; K21-M25 PolarHBondContact O-N 2.97Å; K21-Y114 HydrophobicContact CD-CD1 3.94Å; K21-Y114 HydrophobicContact CD-CE1 4.29Å
22A96.8Very high97.8Very high12 Ų1247.2 Ų47.210%0.09927%0.27CS..Hα-helixtrans-58-38.2-170.700000112.6W15 A18 E19 G26 M65W15-A22 HydrophobicContact CH2-CB 4.22Å; W15-A22 HydrophobicContact CZ2-CB 4.36Å; A18-A22 PolarHBondContact O-N 3.02Å; E19-A22 VanDerWaalsContact O-CB 3.28Å; E19-A22 WeakPolarHBondContact O-CB 3.37Å; E19-A22 PolarHBondContact O-N 3.06Å; A22-G26 PolarHBondContact O-N 3.34Å; A22-M65 HydrophobicContact CB-CB 4.11Å; A22-M65 HydrophobicContact CB-CE 4.33Å; A22-M65 VanDerWaalsContact O-CB 3.31Å; A22-M65 WeakPolarHBondContact O-CB 3.35Å; A22-M65 VanDerWaalsContact O-CG 3.24Å; A22-M65 WeakPolarHBondContact O-CG 3.42Å
23A96.6Very high97.8Very high59 Ų5943.2 Ų43.249%0.48825%0.252SS..Hα-helixtrans-64.3-43.8178.400000113K21 G27 A62K21-A23 VanDerWaalsContact C-N 3.26Å; K21-A23 PolarHBondContact O-N 3.38Å; A23-G27 PolarHBondContact O-N 2.89Å; A23-A62 HydrophobicContact CB-CB 3.71Å
24E97.6Very high97.8Very high118 Ų11840.4 Ų40.455%0.55123%0.229SC*.Hα-helixtrans-64.9-51.1178-177.7-178.5-17300110.7K21 G26 G27 E28 Y114K21-E24 PolarHBondContact O-N 3.23Å; K21-E24 VanDerWaalsContact O-N 3.13Å; E24-G26 VanDerWaalsContact C-N 3.27Å; E24-G26 PolarHBondContact O-N 2.73Å; E24-G27 PolarHBondContact O-N 3.21Å; E24-G27 VanDerWaalsContact O-N 3.12Å; E24-E28 PolarHBondContact O-N 2.88Å; E24-Y114 HydrophobicContact CG-CE1 4.45Å; E24-Y114 PolarHBondContact OE1-OH 3Å
25M98.3Very high97.8Very high1 Ų144.1 Ų44.11%0.00525%0.252CS..Hα-helixtrans-59.7-37.6178.1-71.9-171-65.200112.6A18 K21 E28 A29 M65 V110 L111 Y114 F115A18-M25 HydrophobicContact CB-CE 3.64Å; A18-M25 VanDerWaalsContact O-CE 3.23Å; A18-M25 WeakPolarHBondContact O-CE 3.24Å; K21-M25 HydrophobicContact CB-CE 4.09Å; K21-M25 HydrophobicContact CB-CG 4.49Å; K21-M25 PolarHBondContact O-N 2.97Å; M25-E28 PolarHBondContact O-N 3.49Å; M25-A29 WeakPolarHBondContact O-CB 3.45Å; M25-A29 PolarHBondContact O-N 3.4Å; M25-M65 HydrophobicContact CB-CE 4.35Å; M25-M65 HydrophobicContact CE-CE 4.3Å; M25-V110 HydrophobicContact CB-CG1 3.54Å; M25-V110 HydrophobicContact CG-CG1 3.61Å; M25-V110 HydrophobicContact SD-CG1 4.2Å; M25-L111 HydrophobicContact CE-CD2 4.41Å; M25-L111 HydrophobicContact SD-CD2 4.14Å; M25-Y114 HydrophobicContact CG-CD1 3.72Å; M25-Y114 HydrophobicContact CG-CD2 4.08Å; M25-Y114 HydrophobicContact CG-CE1 3.79Å; M25-Y114 HydrophobicContact CG-CE2 4.15Å; M25-Y114 HydrophobicContact CG-CG 3.88Å; M25-Y114 HydrophobicContact SD-CD1 3.99Å; M25-Y114 HydrophobicContact SD-CD2 4.39Å; M25-Y114 HydrophobicContact SD-CG 3.85Å; M25-F115 HydrophobicContact CE-CE2 4.03Å; M25-F115 HydrophobicContact SD-CD2 4.47Å; M25-F115 HydrophobicContact SD-CE2 3.68Å
26G98.4Very high97.8Very high2 Ų245.9 Ų45.92%0.02127%0.273CS..Hα-helixtrans-64.4-41.9176.300000112.7A22 E24 E28 L30 G61A22-G26 PolarHBondContact O-N 3.34Å; E24-G26 VanDerWaalsContact C-N 3.27Å; E24-G26 PolarHBondContact O-N 2.73Å; G26-E28 VanDerWaalsContact C-N 3.33Å; G26-L30 WeakPolarHBondContact O-CB 3.28Å; G26-L30 PolarHBondContact O-N 3.49Å; G26-G61 WeakPolarHBondContact CA-O 3.29Å; G26-G61 WeakPolarHBondContact O-CA 3.48Å
27G98.4Very high97.8Very high3 Ų345.7 Ų45.73%0.03126%0.257CS..Hα-helixtrans-61.7-42.8174.100000111.8A23 E24 G31A23-G27 PolarHBondContact O-N 2.89Å; E24-G27 PolarHBondContact O-N 3.21Å; E24-G27 VanDerWaalsContact O-N 3.12Å; G27-G31 PolarHBondContact O-N 3.43Å
28E98.4Very high97.8Very high47 Ų4743.9 Ų43.922%0.2226%0.257CS..Hα-helixtrans-66.1-45.8177.7-169.6172.8155.200112.3E24 M25 G26 L30 G31 R32 V110 Y114E24-E28 PolarHBondContact O-N 2.88Å; M25-E28 PolarHBondContact O-N 3.49Å; G26-E28 VanDerWaalsContact C-N 3.33Å; E28-L30 PolarHBondContact O-N 3.36Å; E28-G31 PolarHBondContact O-N 2.89Å; E28-R32 HydrophobicContact CG-CG 4.47Å; E28-R32 WeakPolarHBondContact O-CB 3.4Å; E28-R32 VanDerWaalsContact O-CG 3.26Å; E28-R32 WeakPolarHBondContact O-CG 3.42Å; E28-R32 PolarHBondContact O-N 3.49Å; E28-R32 IonicContact OE1-CZ 2.68Å; E28-R32 VanDerWaalsContact OE1-CZ 3.3Å; E28-R32 IonicContact OE1-NE 2.59Å; E28-R32 PolarHBondContact OE1-NE 2.95Å; E28-R32 IonicContact OE1-NH2 3.53Å; E28-R32 PolarHBondContact OE1-NH2 3.3Å; E28-V110 HydrophobicContact CB-CG2 4.17Å; E28-V110 HydrophobicContact CG-CG2 3.95Å; E28-Y114 WeakPolarHBondContact OE2-CE2 3.42Å; E28-Y114 PolarHBondContact OE2-OH 2.91Å
29A98.7Very high97.8Very high2 Ų249.2 Ų49.22%0.01728%0.281CS..Hα-helixtrans-62.8-43.4179.100000111.6M25 R32 M33 N106 I107 V110M25-A29 WeakPolarHBondContact O-CB 3.45Å; M25-A29 PolarHBondContact O-N 3.4Å; A29-R32 PolarHBondContact O-N 2.88Å; A29-M33 WeakPolarHBondContact O-CB 3.27Å; A29-M33 PolarHBondContact O-N 2.96Å; A29-N106 HydrophobicContact CB-CB 4.4Å; A29-N106 WeakPolarHBondContact O-CB 3.19Å; A29-I107 HydrophobicContact CB-CG1 3.91Å; A29-V110 HydrophobicContact CB-CB 4.5Å; A29-V110 HydrophobicContact CB-CG2 3.99Å
30L98.8Very high97.9Very high0 Ų044.4 Ų44.40%026%0.259CS..Hα-helixtrans-66.3-43.1176.3-17860.7000111.5G26 E28 R32 M33 L34 F44 W47 V57 H60 I64G26-L30 WeakPolarHBondContact O-CB 3.28Å; G26-L30 PolarHBondContact O-N 3.49Å; E28-L30 PolarHBondContact O-N 3.36Å; L30-R32 PolarHBondContact O-N 3.22Å; L30-M33 HydrophobicContact CD1-CE 3.49Å; L30-M33 VanDerWaalsContact CD1-CE 3.49Å; L30-M33 WeakPolarHBondContact O-CB 3.43Å; L30-M33 PolarHBondContact O-N 3.43Å; L30-L34 HydrophobicContact CD1-CD1 4.45Å; L30-L34 HydrophobicContact CD1-CG 4.44Å; L30-L34 HydrophobicContact CG-CD1 4.22Å; L30-L34 WeakPolarHBondContact O-CG 3.45Å; L30-L34 PolarHBondContact O-N 3.24Å; L30-F44 HydrophobicContact CD1-CE2 4.25Å; L30-F44 HydrophobicContact CD1-CZ 4.08Å; L30-W47 HydrophobicContact CD2-CH2 4.22Å; L30-W47 HydrophobicContact CD2-CZ3 4.18Å; L30-V57 HydrophobicContact CB-CG1 4.23Å; L30-V57 HydrophobicContact CD2-CG1 4.12Å; L30-V57 HydrophobicContact CG-CG1 4.06Å; L30-H60 HydrophobicContact CD2-CB 4Å; L30-I64 HydrophobicContact CD1-CD1 4.26Å; L30-I64 HydrophobicContact CD2-CD1 4.24Å
31G98.4Very high98Very high0 Ų044.7 Ų44.70%024%0.237CC..Hα-helixtrans-59.5-45.6175.900000112.3G27 E28 M33 L34 V35G27-G31 PolarHBondContact O-N 3.43Å; E28-G31 PolarHBondContact O-N 2.89Å; G31-M33 PolarHBondContact O-N 3.1Å; G31-L34 PolarHBondContact O-N 3.43Å; G31-V35 WeakPolarHBondContact O-CG2 3.35Å; G31-V35 PolarHBondContact O-N 3.04Å
32R98.5Very high98Very high89 Ų8944.1 Ų44.134%0.33624%0.242SC..Hα-helixtrans-60.5-44.3175.2-72.8171.5178.7-77-7.8111.8E28 A29 L30 L34 V35 A36 N106 M113E28-R32 HydrophobicContact CG-CG 4.47Å; E28-R32 WeakPolarHBondContact O-CB 3.4Å; E28-R32 VanDerWaalsContact O-CG 3.26Å; E28-R32 WeakPolarHBondContact O-CG 3.42Å; E28-R32 PolarHBondContact O-N 3.49Å; E28-R32 IonicContact OE1-CZ 2.68Å; E28-R32 VanDerWaalsContact OE1-CZ 3.3Å; E28-R32 IonicContact OE1-NE 2.59Å; E28-R32 PolarHBondContact OE1-NE 2.95Å; E28-R32 IonicContact OE1-NH2 3.53Å; E28-R32 PolarHBondContact OE1-NH2 3.3Å; A29-R32 PolarHBondContact O-N 2.88Å; L30-R32 PolarHBondContact O-N 3.22Å; R32-L34 VanDerWaalsContact C-N 3.35Å; R32-L34 PolarHBondContact O-N 3.26Å; R32-V35 PolarHBondContact O-N 3.49Å; R32-A36 VanDerWaalsContact O-CB 3.31Å; R32-A36 WeakPolarHBondContact O-CB 3.49Å; R32-A36 PolarHBondContact O-N 2.93Å; R32-N106 VanDerWaalsContact CB-OD1 3.27Å; R32-N106 WeakPolarHBondContact CB-OD1 3.48Å; R32-M113 VanDerWaalsContact CZ-SD 3.6Å; R32-M113 PolarHBondContact NH2-SD 2.99Å
33M98.6Very high98.1Very high9 Ų946.9 Ų46.94%0.04425%0.251CS..Hα-helixtrans-57-48.7175.7-178.1-177.483.300111.4A29 L30 G31 V35 Y37 T40 F44 I102 L103 N106A29-M33 WeakPolarHBondContact O-CB 3.27Å; A29-M33 PolarHBondContact O-N 2.96Å; L30-M33 HydrophobicContact CD1-CE 3.49Å; L30-M33 VanDerWaalsContact CD1-CE 3.49Å; L30-M33 WeakPolarHBondContact O-CB 3.43Å; L30-M33 PolarHBondContact O-N 3.43Å; G31-M33 PolarHBondContact O-N 3.1Å; M33-V35 VanDerWaalsContact C-N 3.31Å; M33-V35 PolarHBondContact O-N 3.41Å; M33-Y37 CarbonylContact O-C 3.56Å; M33-Y37 WeakPolarHBondContact O-CA 3.39Å; M33-Y37 VanDerWaalsContact O-CB 3.31Å; M33-Y37 WeakPolarHBondContact O-CB 3.45Å; M33-Y37 PolarHBondContact O-N 3.43Å; M33-T40 HydrophobicContact CE-CG2 4.4Å; M33-T40 HydrophobicContact CG-CG2 3.97Å; M33-T40 HydrophobicContact SD-CG2 4.21Å; M33-F44 HydrophobicContact CE-CE2 3.95Å; M33-I102 HydrophobicContact CG-CG2 3.91Å; M33-I102 HydrophobicContact SD-CG2 4.49Å; M33-L103 HydrophobicContact SD-CB 3.73Å; M33-L103 HydrophobicContact SD-CD1 3.97Å; M33-L103 HydrophobicContact SD-CG 4.36Å; M33-N106 PolarHBondContact N-OD1 3.42Å
34L98.4Very high98.1Very high0 Ų045.3 Ų45.30%023%0.233CC..Hα-helixtrans-65.6-33.2-178.3-67.2170.8000112.6L30 G31 R32 K41 F44 L50 V57L30-L34 HydrophobicContact CD1-CD1 4.45Å; L30-L34 HydrophobicContact CD1-CG 4.44Å; L30-L34 HydrophobicContact CG-CD1 4.22Å; L30-L34 WeakPolarHBondContact O-CG 3.45Å; L30-L34 PolarHBondContact O-N 3.24Å; G31-L34 PolarHBondContact O-N 3.43Å; R32-L34 VanDerWaalsContact C-N 3.35Å; R32-L34 PolarHBondContact O-N 3.26Å; L34-K41 HydrophobicContact CB-CG 4.48Å; L34-K41 HydrophobicContact CD2-CG 4.06Å; L34-K41 WeakPolarHBondContact O-CE 3.27Å; L34-F44 HydrophobicContact CD2-CD2 3.65Å; L34-F44 HydrophobicContact CD2-CE2 4.21Å; L34-F44 HydrophobicContact CD2-CG 4.4Å; L34-L50 HydrophobicContact CD1-CB 4.39Å; L34-L50 HydrophobicContact CD1-CD2 4.36Å; L34-V57 HydrophobicContact CD1-CG1 4.46Å; L34-V57 HydrophobicContact CD1-CG2 3.78Å
35V98.1Very high98Very high86 Ų8643.8 Ų43.852%0.52124%0.235SC..Hα-helixtrans-78.7-52.1178.4173.10000111.7G31 R32 M33 P52G31-V35 WeakPolarHBondContact O-CG2 3.35Å; G31-V35 PolarHBondContact O-N 3.04Å; R32-V35 PolarHBondContact O-N 3.49Å; M33-V35 VanDerWaalsContact C-N 3.31Å; M33-V35 PolarHBondContact O-N 3.41Å; V35-P52 HydrophobicContact CG2-CG 3.84Å
36A98.1Very high97.9Very high65 Ų6550.1 Ų50.154%0.53726%0.264SS..Hα-helixtrans-78.6-22.5-173.500000113.4R32R32-A36 VanDerWaalsContact O-CB 3.31Å; R32-A36 WeakPolarHBondContact O-CB 3.49Å; R32-A36 PolarHBondContact O-N 2.93Å
37Y97.9Very high97.8Very high68 Ų6851.6 Ų51.627%0.26727%0.27SS..  trans-128.373.5-179.5-55.1-92.3000110.3M33 Q39 T40 I102 H105 N106M33-Y37 CarbonylContact O-C 3.56Å; M33-Y37 WeakPolarHBondContact O-CA 3.39Å; M33-Y37 VanDerWaalsContact O-CB 3.31Å; M33-Y37 WeakPolarHBondContact O-CB 3.45Å; M33-Y37 PolarHBondContact O-N 3.43Å; Y37-Q39 VanDerWaalsContact CA-OE1 3.28Å; Y37-Q39 PolarHBondContact O-N 2.98Å; Y37-Q39 PolarHBondContact O-OE1 3.42Å; Y37-T40 WeakPolarHBondContact O-CB 3.28Å; Y37-T40 WeakPolarHBondContact O-CG2 3.4Å; Y37-T40 PolarHBondContact O-N 3.29Å; Y37-T40 PolarHBondContact O-OG1 2.98Å; Y37-I102 HydrophobicContact CD1-CD1 4.27Å; Y37-I102 HydrophobicContact CD1-CG2 3.64Å; Y37-I102 HydrophobicContact CD2-CG2 3.44Å; Y37-I102 VanDerWaalsContact CD2-CG2 3.44Å; Y37-I102 HydrophobicContact CE1-CG2 3.99Å; Y37-I102 HydrophobicContact CE2-CG2 3.82Å; Y37-I102 HydrophobicContact CG-CG2 3.34Å; Y37-H105 PolarHBondContact OH-CD2 3.09Å; Y37-N106 WeakPolarHBondContact CE2-ND2 3.38Å
38P96.9Very high97.7Very high75 Ų7554.7 Ų54.749%0.48730%0.302SS..G310 helixtrans-58.5-24.9-172.2-25.234.9000114.9T40 K41P38-T40 PolarHBondContact O-N 2.82Å; P38-K41 VanDerWaalsContact O-CB 3.24Å; P38-K41 WeakPolarHBondContact O-CB 3.24Å; P38-K41 WeakPolarHBondContact O-CG 3.48Å; P38-K41 PolarHBondContact O-N 2.97Å
39Q97.6Very high97.6Very high111 Ų11156.3 Ų56.352%0.51931%0.312SS..G310 helixtrans-58-27.5174.672-81.621.600112.5Y37 K41 T42Y37-Q39 VanDerWaalsContact CA-OE1 3.28Å; Y37-Q39 PolarHBondContact O-N 2.98Å; Y37-Q39 PolarHBondContact O-OE1 3.42Å; Q39-K41 PolarHBondContact O-N 2.72Å; Q39-T42 WeakPolarHBondContact O-CG2 3.43Å
40T98.3Very high97.5Very high1 Ų157.6 Ų57.61%0.00632%0.318CS..G310 helixtrans-72.2-17178.167.10000112.9M33 Y37 P38 T42 Y43 I102M33-T40 HydrophobicContact CE-CG2 4.4Å; M33-T40 HydrophobicContact CG-CG2 3.97Å; M33-T40 HydrophobicContact SD-CG2 4.21Å; Y37-T40 WeakPolarHBondContact O-CB 3.28Å; Y37-T40 WeakPolarHBondContact O-CG2 3.4Å; Y37-T40 PolarHBondContact O-N 3.29Å; Y37-T40 PolarHBondContact O-OG1 2.98Å; P38-T40 PolarHBondContact O-N 2.82Å; T40-T42 PolarHBondContact O-N 3.47Å; T40-Y43 WeakPolarHBondContact O-CD2 3.5Å; T40-Y43 PolarHBondContact O-N 3.34Å; T40-I102 HydrophobicContact CG2-CD1 4.26Å; T40-I102 HydrophobicContact CG2-CG2 4.45Å
41K97.9Very high97.4Very high87 Ų8759.5 Ų59.538%0.37833%0.331SS..G310 helixtrans-63.3-25.3-179.6-66.1-177.6-176.4-176.70113.2L34 P38 Q39 Y43 F44 S45 L50L34-K41 HydrophobicContact CB-CG 4.48Å; L34-K41 HydrophobicContact CD2-CG 4.06Å; L34-K41 WeakPolarHBondContact O-CE 3.27Å; P38-K41 VanDerWaalsContact O-CB 3.24Å; P38-K41 WeakPolarHBondContact O-CB 3.24Å; P38-K41 WeakPolarHBondContact O-CG 3.48Å; P38-K41 PolarHBondContact O-N 2.97Å; Q39-K41 PolarHBondContact O-N 2.72Å; K41-Y43 PolarHBondContact O-N 2.68Å; K41-F44 CarbonylContact O-C 3.53Å; K41-F44 PolarHBondContact O-N 2.87Å; K41-S45 PolarHBondContact O-N 3.15Å; K41-S45 VanDerWaalsContact O-N 3.12Å; K41-L50 HydrophobicContact CB-CD1 3.84Å; K41-L50 HydrophobicContact CD-CD1 4.31Å; K41-L50 HydrophobicContact CG-CD1 4.02Å
42T97.6Very high97.2Very high91 Ų9161.8 Ų61.856%0.55835%0.346SS*.G310 helixtrans-55-39.2-179-168.70000112.3Q39 T40 F44 S45Q39-T42 WeakPolarHBondContact O-CG2 3.43Å; T40-T42 PolarHBondContact O-N 3.47Å; T42-F44 PolarHBondContact O-N 2.68Å; T42-S45 PolarHBondContact O-N 3.02Å; T42-S45 PolarHBondContact O-OG 3.13Å
43Y98Very high97.1Very high71 Ų7164.1 Ų64.128%0.27836%0.361SS..G310 helixtrans-68.4-16.4179.8-56.9-66000113.7T40 K41 H46 V95 D96 N99T40-Y43 WeakPolarHBondContact O-CD2 3.5Å; T40-Y43 PolarHBondContact O-N 3.34Å; K41-Y43 PolarHBondContact O-N 2.68Å; Y43-H46 PolarHBondContact O-CE1 3.17Å; Y43-V95 HydrophobicContact CD1-CB 4.5Å; Y43-V95 HydrophobicContact CD1-CG2 3.89Å; Y43-V95 HydrophobicContact CE1-CB 4.29Å; Y43-V95 HydrophobicContact CE1-CG1 4.45Å; Y43-V95 HydrophobicContact CE1-CG2 4.17Å; Y43-V95 HydrophobicContact CE2-CG1 4.44Å; Y43-V95 HydrophobicContact CG-CG2 4.3Å; Y43-D96 WeakPolarHBondContact OH-CB 3.43Å; Y43-D96 PolarHBondContact OH-N 3.05Å; Y43-N99 WeakPolarHBondContact CE2-ND2 3.47Å; Y43-N99 PolarHBondContact OH-ND2 3.06Å
44F98.1Very high97Very high25 Ų2564 Ų6411%0.1136%0.361CS..G310 helixtrans-120.28.7-175.5-57.4-78000113.1L30 M33 L34 K41 T42 H46 W47 L50 H60L30-F44 HydrophobicContact CD1-CE2 4.25Å; L30-F44 HydrophobicContact CD1-CZ 4.08Å; M33-F44 HydrophobicContact CE-CE2 3.95Å; L34-F44 HydrophobicContact CD2-CD2 3.65Å; L34-F44 HydrophobicContact CD2-CE2 4.21Å; L34-F44 HydrophobicContact CD2-CG 4.4Å; K41-F44 CarbonylContact O-C 3.53Å; K41-F44 PolarHBondContact O-N 2.87Å; T42-F44 PolarHBondContact O-N 2.68Å; F44-H46 PolarHBondContact O-N 3.19Å; F44-W47 HydrophobicContact CB-CD2 4.21Å; F44-W47 HydrophobicContact CB-CE3 4.07Å; F44-W47 HydrophobicContact CB-CZ3 4.32Å; F44-W47 HydrophobicContact CD1-CD2 4.12Å; F44-W47 AromaticContact CD1-CE2 3.83Å; F44-W47 AromaticContact CD1-CE3 3.97Å; F44-W47 HydrophobicContact CD1-CE3 3.97Å; F44-W47 AromaticContact CD1-CH2 3.16Å; F44-W47 HydrophobicContact CD1-CH2 3.16Å; F44-W47 AromaticContact CD1-CZ2 3.39Å; F44-W47 HydrophobicContact CD1-CZ2 3.39Å; F44-W47 AromaticContact CD1-CZ3 3.49Å; F44-W47 HydrophobicContact CD1-CZ3 3.49Å; F44-W47 VanDerWaalsContact CD1-CZ3 3.49Å; F44-W47 AromaticContact CE1-CH2 3.39Å; F44-W47 HydrophobicContact CE1-CH2 3.39Å; F44-W47 AromaticContact CE1-CZ2 3.77Å; F44-W47 HydrophobicContact CE1-CZ2 3.77Å; F44-W47 HydrophobicContact CE1-CZ3 4.03Å; F44-W47 HydrophobicContact CG-CE3 4.34Å; F44-W47 HydrophobicContact CG-CH2 4.19Å; F44-W47 HydrophobicContact CG-CZ3 4.1Å; F44-W47 WeakPolarHBondContact O-CB 3.31Å; F44-W47 PolarHBondContact O-N 3.08Å; F44-L50 HydrophobicContact CB-CD1 4.36Å; F44-L50 HydrophobicContact CB-CD2 3.62Å; F44-H60 AromaticContact CE1-CD2 3.78Å; F44-H60 AromaticContact CE1-NE2 3.87Å
45S95.6Very high97Very high87 Ų8767.8 Ų67.861%0.60839%0.392SS*.G310 helixtrans-51.3-31.2-177.451.50000114.5K41 T42 W47K41-S45 PolarHBondContact O-N 3.15Å; K41-S45 VanDerWaalsContact O-N 3.12Å; T42-S45 PolarHBondContact O-N 3.02Å; T42-S45 PolarHBondContact O-OG 3.13Å; S45-W47 PolarHBondContact O-N 3.01Å
46H95.8Very high97Very high133 Ų13368.5 Ų68.562%0.61639%0.388SS*.G310 helixtrans-68.8-5.6176.764.9-76000114.9Y43 F44Y43-H46 PolarHBondContact O-CE1 3.17Å; F44-H46 PolarHBondContact O-N 3.19Å
47W96.8Very high97Very high34 Ų3465.4 Ų65.413%0.12936%0.363CS..G310 helixtrans-85-22.5-178.7-72.52.4000114.7L30 F44 S45 D49 L50 K56 V57 H60L30-W47 HydrophobicContact CD2-CH2 4.22Å; L30-W47 HydrophobicContact CD2-CZ3 4.18Å; F44-W47 HydrophobicContact CB-CD2 4.21Å; F44-W47 HydrophobicContact CB-CE3 4.07Å; F44-W47 HydrophobicContact CB-CZ3 4.32Å; F44-W47 HydrophobicContact CD1-CD2 4.12Å; F44-W47 AromaticContact CD1-CE2 3.83Å; F44-W47 AromaticContact CD1-CE3 3.97Å; F44-W47 HydrophobicContact CD1-CE3 3.97Å; F44-W47 AromaticContact CD1-CH2 3.16Å; F44-W47 HydrophobicContact CD1-CH2 3.16Å; F44-W47 AromaticContact CD1-CZ2 3.39Å; F44-W47 HydrophobicContact CD1-CZ2 3.39Å; F44-W47 AromaticContact CD1-CZ3 3.49Å; F44-W47 HydrophobicContact CD1-CZ3 3.49Å; F44-W47 VanDerWaalsContact CD1-CZ3 3.49Å; F44-W47 AromaticContact CE1-CH2 3.39Å; F44-W47 HydrophobicContact CE1-CH2 3.39Å; F44-W47 AromaticContact CE1-CZ2 3.77Å; F44-W47 HydrophobicContact CE1-CZ2 3.77Å; F44-W47 HydrophobicContact CE1-CZ3 4.03Å; F44-W47 HydrophobicContact CG-CE3 4.34Å; F44-W47 HydrophobicContact CG-CH2 4.19Å; F44-W47 HydrophobicContact CG-CZ3 4.1Å; F44-W47 WeakPolarHBondContact O-CB 3.31Å; F44-W47 PolarHBondContact O-N 3.08Å; S45-W47 PolarHBondContact O-N 3.01Å; W47-D49 VanDerWaalsContact C-N 3.34Å; W47-D49 PolarHBondContact O-N 3.33Å; W47-D49 VanDerWaalsContact O-N 3.13Å; W47-L50 HydrophobicContact CB-CD2 3.84Å; W47-L50 HydrophobicContact CD2-CD2 4.38Å; W47-L50 HydrophobicContact CE3-CD2 3.79Å; W47-L50 HydrophobicContact CG-CD2 4.45Å; W47-K56 HydrophobicContact CB-CB 4.47Å; W47-K56 HydrophobicContact CB-CD 3.64Å; W47-K56 HydrophobicContact CD2-CB 3.84Å; W47-K56 HydrophobicContact CD2-CD 4.22Å; W47-K56 HydrophobicContact CE3-CB 3.86Å; W47-K56 HydrophobicContact CG-CB 4.12Å; W47-K56 HydrophobicContact CG-CD 3.62Å; W47-K56 HydrophobicContact CG-CG 4.5Å; W47-K56 HydrophobicContact CZ3-CB 4.48Å; W47-K56 PolarHBondContact O-NZ 3.43Å; W47-V57 HydrophobicContact CE3-CG2 4.13Å; W47-V57 HydrophobicContact CZ3-CG2 4.03Å; W47-H60 HydrophobicContact CH2-CB 3.28Å; W47-H60 AromaticContact CH2-CD2 3.68Å; W47-H60 AromaticContact CH2-CG 3.45Å; W47-H60 VanDerWaalsContact CH2-CG 3.45Å; W47-H60 HydrophobicContact CZ2-CB 3.83Å; W47-H60 AromaticContact CZ2-CG 3.79Å; W47-H60 HydrophobicContact CZ3-CB 4.18Å
48G94.4Very high97Very high68 Ų6867.5 Ų67.570%0.70137%0.373SS*.SBendtrans77.8-79.5-171.300000111.2
49D96.5Very high97.1Very high81 Ų8171.8 Ų71.843%0.43338%0.384SS..  trans-85.7113.6178.7-179.918.7000112W47 S51 S54W47-D49 VanDerWaalsContact C-N 3.34Å; W47-D49 PolarHBondContact O-N 3.33Å; W47-D49 VanDerWaalsContact O-N 3.13Å; D49-S51 WeakPolarHBondContact OD1-CB 3.36Å; D49-S51 PolarHBondContact OD1-N 3.12Å; D49-S51 PolarHBondContact OD1-OG 3.17Å; D49-S51 PolarHBondContact OD2-OG 3.3Å; D49-S54 VanDerWaalsContact O-CB 3.29Å; D49-S54 WeakPolarHBondContact O-CB 3.26Å; D49-S54 PolarHBondContact O-OG 3.47Å; D49-S54 WeakPolarHBondContact OD2-CA 3.37Å; D49-S54 WeakPolarHBondContact OD2-CB 3.43Å
50L97.3Very high97.1Very high29 Ų2969.5 Ų69.515%0.15237%0.373CS..  trans-109.713.9176.9-61.4-176.8000112.9L34 K41 F44 W47L34-L50 HydrophobicContact CD1-CB 4.39Å; L34-L50 HydrophobicContact CD1-CD2 4.36Å; K41-L50 HydrophobicContact CB-CD1 3.84Å; K41-L50 HydrophobicContact CD-CD1 4.31Å; K41-L50 HydrophobicContact CG-CD1 4.02Å; F44-L50 HydrophobicContact CB-CD1 4.36Å; F44-L50 HydrophobicContact CB-CD2 3.62Å; W47-L50 HydrophobicContact CB-CD2 3.84Å; W47-L50 HydrophobicContact CD2-CD2 4.38Å; W47-L50 HydrophobicContact CE3-CD2 3.79Å; W47-L50 HydrophobicContact CG-CD2 4.45Å
51S96.6Very high97.2Very high39 Ų3969.4 Ų69.427%0.27337%0.373SS..SBendtrans-64.8154.8173.869.80000111.1D49 Q53 S54D49-S51 WeakPolarHBondContact OD1-CB 3.36Å; D49-S51 PolarHBondContact OD1-N 3.12Å; D49-S51 PolarHBondContact OD1-OG 3.17Å; D49-S51 PolarHBondContact OD2-OG 3.3Å; S51-Q53 PolarHBondContact O-N 2.93Å; S51-Q53 VanDerWaalsContact O-N 3.08Å; S51-S54 WeakPolarHBondContact O-CB 3.43Å; S51-S54 PolarHBondContact O-N 3.49Å; S51-S54 PolarHBondContact OG-N 2.87Å
52P94.9Very high97.2Very high49 Ų4967 Ų6732%0.31837%0.369SS..THydrogen-bonded Turntrans-58.1-22.8175.2-25.135.1000113.8V35V35-P52 HydrophobicContact CG2-CG 3.84Å
53Q95Very high97.2Very high137 Ų13766.8 Ų66.864%0.6437%0.368SS*.THydrogen-bonded Turntrans-83.8-13.1178.6-69.969.739.800113.2S51 A55S51-Q53 PolarHBondContact O-N 2.93Å; S51-Q53 VanDerWaalsContact O-N 3.08Å; Q53-A55 PolarHBondContact O-N 3.49Å
54S97.8Very high97.2Very high6 Ų664.9 Ų64.94%0.04236%0.362CS..  trans-53.2130.3-179.2172.50000112.5D49 S51 K56 V57 K58D49-S54 VanDerWaalsContact O-CB 3.29Å; D49-S54 WeakPolarHBondContact O-CB 3.26Å; D49-S54 PolarHBondContact O-OG 3.47Å; D49-S54 WeakPolarHBondContact OD2-CA 3.37Å; D49-S54 WeakPolarHBondContact OD2-CB 3.43Å; S51-S54 WeakPolarHBondContact O-CB 3.43Å; S51-S54 PolarHBondContact O-N 3.49Å; S51-S54 PolarHBondContact OG-N 2.87Å; S54-K56 PolarHBondContact O-N 2.84Å; S54-K56 PolarHBondContact OG-N 3.28Å; S54-V57 PolarHBondContact O-N 2.85Å; S54-V57 PolarHBondContact OG-N 3.31Å; S54-K58 WeakPolarHBondContact O-CG 3.27Å; S54-K58 PolarHBondContact O-N 3.17Å
55A97.7Very high97.3Very high80 Ų8063.8 Ų63.866%0.66136%0.357SS*.Hα-helixtrans-61.2-33.2175.600000112.1Q53 K59Q53-A55 PolarHBondContact O-N 3.49Å; A55-K59 WeakPolarHBondContact O-CB 3.44Å; A55-K59 PolarHBondContact O-N 2.92Å
56K98.3Very high97.4Very high102 Ų10261.6 Ų61.644%0.44335%0.348SS..Hα-helixtrans-69.2-42.2177.1-69.7-178.2-178.4171.40111.3W47 S54 K59 H60W47-K56 HydrophobicContact CB-CB 4.47Å; W47-K56 HydrophobicContact CB-CD 3.64Å; W47-K56 HydrophobicContact CD2-CB 3.84Å; W47-K56 HydrophobicContact CD2-CD 4.22Å; W47-K56 HydrophobicContact CE3-CB 3.86Å; W47-K56 HydrophobicContact CG-CB 4.12Å; W47-K56 HydrophobicContact CG-CD 3.62Å; W47-K56 HydrophobicContact CG-CG 4.5Å; W47-K56 HydrophobicContact CZ3-CB 4.48Å; W47-K56 PolarHBondContact O-NZ 3.43Å; S54-K56 PolarHBondContact O-N 2.84Å; S54-K56 PolarHBondContact OG-N 3.28Å; K56-K59 PolarHBondContact O-N 2.98Å; K56-H60 WeakPolarHBondContact O-CB 3.31Å; K56-H60 PolarHBondContact O-N 3.43Å
57V98.4Very high97.5Very high0 Ų056.3 Ų56.30%033%0.328CS..Hα-helixtrans-60.8-50.5174.9172.40000110.4L30 L34 W47 S54 K59 H60 G61L30-V57 HydrophobicContact CB-CG1 4.23Å; L30-V57 HydrophobicContact CD2-CG1 4.12Å; L30-V57 HydrophobicContact CG-CG1 4.06Å; L34-V57 HydrophobicContact CD1-CG1 4.46Å; L34-V57 HydrophobicContact CD1-CG2 3.78Å; W47-V57 HydrophobicContact CE3-CG2 4.13Å; W47-V57 HydrophobicContact CZ3-CG2 4.03Å; S54-V57 PolarHBondContact O-N 2.85Å; S54-V57 PolarHBondContact OG-N 3.31Å; V57-K59 PolarHBondContact O-N 3.02Å; V57-H60 PolarHBondContact O-N 2.8Å; V57-G61 PolarHBondContact O-N 2.95Å
58K98.1Very high97.6Very high112 Ų11255.3 Ų55.349%0.48733%0.325SS..Hα-helixtrans-59.5-47.1177.8-69.3177.4178.7176.80112.3S54 H60 G61 A62S54-K58 WeakPolarHBondContact O-CG 3.27Å; S54-K58 PolarHBondContact O-N 3.17Å; K58-H60 PolarHBondContact O-N 3.49Å; K58-G61 PolarHBondContact O-N 3.38Å; K58-A62 PolarHBondContact O-N 3.12Å; K58-A62 VanDerWaalsContact O-N 3.09Å
59K98.4Very high97.8Very high164 Ų16452.4 Ų52.471%0.71330%0.295SS*.Hα-helixtrans-61.2-44.6179.1-176.5177.1-179.3177.70111.8A55 K56 V57 A62 V63A55-K59 WeakPolarHBondContact O-CB 3.44Å; A55-K59 PolarHBondContact O-N 2.92Å; K56-K59 PolarHBondContact O-N 2.98Å; V57-K59 PolarHBondContact O-N 3.02Å; K59-A62 WeakPolarHBondContact O-CB 3.49Å; K59-A62 PolarHBondContact O-N 3.2Å; K59-V63 PolarHBondContact O-N 3.25Å
60H98.6Very high97.8Very high63 Ų6355.6 Ų55.629%0.29231%0.305SS..Hα-helixtrans-73.9-34.9-179.4-164.772.8000112.5L30 F44 W47 K56 V57 K58 A62 V63 I64L30-H60 HydrophobicContact CD2-CB 4Å; F44-H60 AromaticContact CE1-CD2 3.78Å; F44-H60 AromaticContact CE1-NE2 3.87Å; W47-H60 HydrophobicContact CH2-CB 3.28Å; W47-H60 AromaticContact CH2-CD2 3.68Å; W47-H60 AromaticContact CH2-CG 3.45Å; W47-H60 VanDerWaalsContact CH2-CG 3.45Å; W47-H60 HydrophobicContact CZ2-CB 3.83Å; W47-H60 AromaticContact CZ2-CG 3.79Å; W47-H60 HydrophobicContact CZ3-CB 4.18Å; K56-H60 WeakPolarHBondContact O-CB 3.31Å; K56-H60 PolarHBondContact O-N 3.43Å; V57-H60 PolarHBondContact O-N 2.8Å; K58-H60 PolarHBondContact O-N 3.49Å; H60-A62 VanDerWaalsContact C-N 3.25Å; H60-A62 PolarHBondContact O-N 3.36Å; H60-V63 WeakPolarHBondContact O-CA 3.39Å; H60-V63 WeakPolarHBondContact O-CB 3.48Å; H60-V63 PolarHBondContact O-N 3.26Å; H60-I64 WeakPolarHBondContact O-CG1 3.4Å; H60-I64 PolarHBondContact O-N 2.7Å
61G98.6Very high97.9Very high0 Ų054.2 Ų54.20%030%0.298CS..Hα-helixtrans-55.1-41.7170.100000112.5G26 V57 K58 V63 I64 M65G26-G61 WeakPolarHBondContact CA-O 3.29Å; G26-G61 WeakPolarHBondContact O-CA 3.48Å; V57-G61 PolarHBondContact O-N 2.95Å; K58-G61 PolarHBondContact O-N 3.38Å; G61-V63 VanDerWaalsContact C-N 3.34Å; G61-V63 PolarHBondContact O-N 3.2Å; G61-I64 PolarHBondContact O-N 3.46Å; G61-M65 PolarHBondContact O-N 2.93Å
62A98.4Very high98Very high35 Ų3552.7 Ų52.729%0.28929%0.287SS..Hα-helixtrans-63.3-37.5173.400000113.1A23 K58 K59 H60 M65 G66A23-A62 HydrophobicContact CB-CB 3.71Å; K58-A62 PolarHBondContact O-N 3.12Å; K58-A62 VanDerWaalsContact O-N 3.09Å; K59-A62 WeakPolarHBondContact O-CB 3.49Å; K59-A62 PolarHBondContact O-N 3.2Å; H60-A62 VanDerWaalsContact C-N 3.25Å; H60-A62 PolarHBondContact O-N 3.36Å; A62-M65 PolarHBondContact O-N 3.34Å; A62-G66 PolarHBondContact O-N 2.9Å
63V98.6Very high98.1Very high88 Ų8857.7 Ų57.753%0.53330%0.303SS..Hα-helixtrans-63.1-45.4174.8174.70000110.9K59 H60 G61 G66 A67K59-V63 PolarHBondContact O-N 3.25Å; H60-V63 WeakPolarHBondContact O-CA 3.39Å; H60-V63 WeakPolarHBondContact O-CB 3.48Å; H60-V63 PolarHBondContact O-N 3.26Å; G61-V63 VanDerWaalsContact C-N 3.34Å; G61-V63 PolarHBondContact O-N 3.2Å; V63-G66 PolarHBondContact O-N 3.06Å; V63-A67 PolarHBondContact O-N 3.37Å
64I98.5Very high98.3Very high30 Ų3052.1 Ų52.115%0.15428%0.282CS..Hα-helixtrans-58.4-50.1177.1-70.3165.7000110.4L30 H60 G61 G66 A67 L68 L103L30-I64 HydrophobicContact CD1-CD1 4.26Å; L30-I64 HydrophobicContact CD2-CD1 4.24Å; H60-I64 WeakPolarHBondContact O-CG1 3.4Å; H60-I64 PolarHBondContact O-N 2.7Å; G61-I64 PolarHBondContact O-N 3.46Å; I64-G66 VanDerWaalsContact C-N 3.31Å; I64-G66 PolarHBondContact O-N 3.45Å; I64-A67 WeakPolarHBondContact O-CB 3.49Å; I64-A67 PolarHBondContact O-N 3.42Å; I64-A67 VanDerWaalsContact O-N 3.12Å; I64-L68 HydrophobicContact CG2-CD1 4.3Å; I64-L68 PolarHBondContact O-N 2.93Å; I64-L103 HydrophobicContact CD1-CD2 4.07Å; I64-L103 HydrophobicContact CG2-CD2 3.98Å
65M98.3Very high98.3Very high2 Ų252.1 Ų52.11%0.0128%0.282CS..Hα-helixtrans-69.4-30.2-178.6-70.3-66.7-75.800112.6W15 A22 M25 G61 A62 A67 L68 G69W15-M65 HydrophobicContact CH2-CB 4.49Å; W15-M65 HydrophobicContact CH2-CE 3.72Å; W15-M65 WeakPolarHBondContact CH2-O 3.23Å; W15-M65 HydrophobicContact CH2-SD 4.46Å; W15-M65 HydrophobicContact CZ3-CE 3.57Å; W15-M65 HydrophobicContact CZ3-SD 4.49Å; A22-M65 HydrophobicContact CB-CB 4.11Å; A22-M65 HydrophobicContact CB-CE 4.33Å; A22-M65 VanDerWaalsContact O-CB 3.31Å; A22-M65 WeakPolarHBondContact O-CB 3.35Å; A22-M65 VanDerWaalsContact O-CG 3.24Å; A22-M65 WeakPolarHBondContact O-CG 3.42Å; M25-M65 HydrophobicContact CB-CE 4.35Å; M25-M65 HydrophobicContact CE-CE 4.3Å; G61-M65 PolarHBondContact O-N 2.93Å; A62-M65 PolarHBondContact O-N 3.34Å; M65-A67 VanDerWaalsContact C-N 3.34Å; M65-L68 PolarHBondContact O-N 2.88Å; M65-L68 HydrophobicContact SD-CD1 3.61Å; M65-G69 PolarHBondContact O-N 3.33Å
66G98.3Very high98.2Very high41 Ų4153.6 Ų53.642%0.42328%0.279SS..Hα-helixtrans-62.2-39.9169.100000112.7A62 V63 I64 G69 K70A62-G66 PolarHBondContact O-N 2.9Å; V63-G66 PolarHBondContact O-N 3.06Å; I64-G66 VanDerWaalsContact C-N 3.31Å; I64-G66 PolarHBondContact O-N 3.45Å; G66-G69 PolarHBondContact O-N 2.77Å; G66-K70 PolarHBondContact O-N 3.14Å
67A98.3Very high98.2Very high23 Ų2353.1 Ų53.119%0.1928%0.281CS..Hα-helixtrans-67.4-39.4173.700000112.2V63 I64 M65 G69 K70 A71 L85V63-A67 PolarHBondContact O-N 3.37Å; I64-A67 WeakPolarHBondContact O-CB 3.49Å; I64-A67 PolarHBondContact O-N 3.42Å; I64-A67 VanDerWaalsContact O-N 3.12Å; M65-A67 VanDerWaalsContact C-N 3.34Å; A67-G69 VanDerWaalsContact C-N 3.34Å; A67-G69 PolarHBondContact O-N 3.44Å; A67-K70 WeakPolarHBondContact O-CB 3.31Å; A67-K70 PolarHBondContact O-N 2.99Å; A67-K70 VanDerWaalsContact O-N 3.17Å; A67-A71 PolarHBondContact O-N 3Å; A67-L85 HydrophobicContact CB-CD1 3.72Å
68L98.2Very high98.2Very high13 Ų1353.9 Ų53.97%0.06829%0.285CS..Hα-helixtrans-63.1-39173.3-78.1165.6000112.3W15 I64 M65 K70 A71 V72 I107 F130 L131 V134W15-L68 HydrophobicContact CH2-CB 4.13Å; W15-L68 HydrophobicContact CZ3-CB 4.33Å; I64-L68 HydrophobicContact CG2-CD1 4.3Å; I64-L68 PolarHBondContact O-N 2.93Å; M65-L68 PolarHBondContact O-N 2.88Å; M65-L68 HydrophobicContact SD-CD1 3.61Å; L68-K70 VanDerWaalsContact C-N 3.27Å; L68-K70 PolarHBondContact O-N 3.19Å; L68-A71 CarbonylContact O-C 3.54Å; L68-A71 WeakPolarHBondContact O-CA 3.48Å; L68-A71 WeakPolarHBondContact O-CB 3.41Å; L68-A71 PolarHBondContact O-N 3.23Å; L68-V72 WeakPolarHBondContact O-CG2 3.47Å; L68-V72 PolarHBondContact O-N 3.4Å; L68-I107 HydrophobicContact CD1-CD1 3.54Å; L68-I107 HydrophobicContact CD1-CG1 4.5Å; L68-F130 HydrophobicContact CD2-CE1 4.14Å; L68-F130 HydrophobicContact CD2-CZ 4.45Å; L68-L131 HydrophobicContact CD2-CD2 3.78Å; L68-V134 HydrophobicContact CD2-CG1 4.09Å; L68-V134 HydrophobicContact CD2-CG2 4.3Å
69G98.2Very high98.1Very high7 Ų751.7 Ų51.77%0.07228%0.281CS..Hα-helixtrans-60.5-36.5173.100000112.9M65 G66 A67 V72 K73M65-G69 PolarHBondContact O-N 3.33Å; G66-G69 PolarHBondContact O-N 2.77Å; A67-G69 VanDerWaalsContact C-N 3.34Å; A67-G69 PolarHBondContact O-N 3.44Å; G69-V72 PolarHBondContact O-N 3.44Å; G69-K73 WeakPolarHBondContact O-CG 3.44Å; G69-K73 PolarHBondContact O-N 3.38Å; G69-K73 VanDerWaalsContact O-N 3.14Å
70K98.3Very high98.1Very high148 Ų14845.8 Ų45.864%0.64327%0.267SS*.Hα-helixtrans-65.9-41.8170.9-65.6177.9-176.9-177.70111.6G66 A67 L68 V72 K73 G74G66-K70 PolarHBondContact O-N 3.14Å; A67-K70 WeakPolarHBondContact O-CB 3.31Å; A67-K70 PolarHBondContact O-N 2.99Å; A67-K70 VanDerWaalsContact O-N 3.17Å; L68-K70 VanDerWaalsContact C-N 3.27Å; L68-K70 PolarHBondContact O-N 3.19Å; K70-V72 VanDerWaalsContact C-N 3.34Å; K70-V72 PolarHBondContact O-N 2.76Å; K70-K73 PolarHBondContact O-N 2.84Å; K70-G74 PolarHBondContact O-N 2.86Å
71A98.4Very high98Very high0 Ų045.6 Ų45.60%027%0.27CS..Hα-helixtrans-62.7-37.3175.600000112.8A67 L68 K73 G74 I75 L78 L82 F130 V134A67-A71 PolarHBondContact O-N 3Å; L68-A71 CarbonylContact O-C 3.54Å; L68-A71 WeakPolarHBondContact O-CA 3.48Å; L68-A71 WeakPolarHBondContact O-CB 3.41Å; L68-A71 PolarHBondContact O-N 3.23Å; A71-K73 VanDerWaalsContact C-N 3.35Å; A71-G74 CarbonylContact O-C 3.57Å; A71-G74 VanDerWaalsContact O-C 3.29Å; A71-G74 PolarHBondContact O-N 3.46Å; A71-I75 VanDerWaalsContact O-CA 3.26Å; A71-I75 WeakPolarHBondContact O-CA 3.27Å; A71-I75 PolarHBondContact O-N 3.01Å; A71-L78 HydrophobicContact CB-CD2 3.86Å; A71-L78 WeakPolarHBondContact O-CD2 3.29Å; A71-L82 HydrophobicContact CB-CD1 4.36Å; A71-L82 HydrophobicContact CB-CD2 4.3Å; A71-F130 HydrophobicContact CB-CE2 4.24Å; A71-F130 HydrophobicContact CB-CZ 3.88Å; A71-V134 HydrophobicContact CB-CG2 4.1Å
72V98.4Very high98Very high7 Ų745.9 Ų45.94%0.04227%0.272CS..Hα-helixtrans-66.1-37.7173.9174.20000111.4V11 K12 W15 L68 G69 K70 I75 F130V11-V72 HydrophobicContact CG1-CG1 4.42Å; V11-V72 HydrophobicContact CG1-CG2 4Å; K12-V72 HydrophobicContact CG-CG1 3.98Å; W15-V72 HydrophobicContact CB-CG1 3.89Å; W15-V72 HydrophobicContact CB-CG2 4.23Å; W15-V72 HydrophobicContact CD2-CB 4.5Å; W15-V72 HydrophobicContact CD2-CG2 3.95Å; W15-V72 HydrophobicContact CE3-CG2 4.21Å; W15-V72 HydrophobicContact CG-CB 4.15Å; W15-V72 HydrophobicContact CG-CG1 3.88Å; W15-V72 HydrophobicContact CG-CG2 3.92Å; L68-V72 WeakPolarHBondContact O-CG2 3.47Å; L68-V72 PolarHBondContact O-N 3.4Å; G69-V72 PolarHBondContact O-N 3.44Å; K70-V72 VanDerWaalsContact C-N 3.34Å; K70-V72 PolarHBondContact O-N 2.76Å; V72-I75 WeakPolarHBondContact O-CB 3.2Å; V72-F130 HydrophobicContact CG2-CE1 3.94Å; V72-F130 HydrophobicContact CG2-CE2 4.27Å; V72-F130 HydrophobicContact CG2-CZ 3.57Å
73K98Very high98Very high154 Ų15445.7 Ų45.767%0.6727%0.27SS*.Hα-helixtrans-68.5-41.2175.1-70.7175.2-174.8178.30111.7E19 G69 K70 A71E19-K73 IonicContact OE1-NZ 2.7Å; G69-K73 WeakPolarHBondContact O-CG 3.44Å; G69-K73 PolarHBondContact O-N 3.38Å; G69-K73 VanDerWaalsContact O-N 3.14Å; K70-K73 PolarHBondContact O-N 2.84Å; A71-K73 VanDerWaalsContact C-N 3.35Å
74G97.7Very high98Very high19 Ų1945.1 Ų45.120%0.19628%0.275CS..THydrogen-bonded Turntrans-93.930.9176.900000114.5K70 A71 D76 D77 T81K70-G74 PolarHBondContact O-N 2.86Å; A71-G74 CarbonylContact O-C 3.57Å; A71-G74 VanDerWaalsContact O-C 3.29Å; A71-G74 PolarHBondContact O-N 3.46Å; G74-D76 PolarHBondContact O-N 3.09Å; G74-D77 CarbonylContact O-C 3.51Å; G74-D77 VanDerWaalsContact O-C 3.25Å; G74-D77 PolarHBondContact O-N 3.34Å; G74-T81 PolarHBondContact O-OG1 3.47Å
75I97.9Very high97.9Very high6 Ų646.3 Ų46.33%0.03128%0.281CS..THydrogen-bonded Turntrans-63.1-19.1-169.3-160.5162.3000114.3L3 K8 V11 K12 A71 V72 F130L3-I75 HydrophobicContact CD1-CD1 3.93Å; L3-I75 HydrophobicContact CD1-CG1 3.62Å; K8-I75 HydrophobicContact CB-CD1 4.29Å; K8-I75 HydrophobicContact CB-CG2 4.36Å; K8-I75 HydrophobicContact CD-CG2 4.25Å; K8-I75 HydrophobicContact CG-CD1 4.18Å; K8-I75 HydrophobicContact CG-CG1 4.26Å; K8-I75 HydrophobicContact CG-CG2 4.13Å; V11-I75 HydrophobicContact CB-CD1 4.09Å; V11-I75 HydrophobicContact CG1-CD1 3.86Å; K12-I75 VanDerWaalsContact CE-CG2 3.49Å; A71-I75 VanDerWaalsContact O-CA 3.26Å; A71-I75 WeakPolarHBondContact O-CA 3.27Å; A71-I75 PolarHBondContact O-N 3.01Å; V72-I75 WeakPolarHBondContact O-CB 3.2Å; I75-F130 HydrophobicContact CD1-CD2 3.71Å; I75-F130 HydrophobicContact CD1-CE2 4Å; I75-F130 HydrophobicContact CG1-CD2 3.92Å; I75-F130 HydrophobicContact CG1-CE2 4.03Å
76D97.3Very high97.9Very high112 Ų11246.2 Ų46.260%0.59928%0.281SS*.THydrogen-bonded Turntrans-80.4-23.2178.9-62.5-60.2000112.8K8 G74K8-D76 WeakPolarHBondContact CD-OD1 3.5Å; K8-D76 VanDerWaalsContact CE-OD1 3.31Å; K8-D76 WeakPolarHBondContact CE-OD1 3.12Å; K8-D76 IonicContact NZ-OD1 3.75Å; K8-D76 PolarHBondContact NZ-OD1 3.31Å; G74-D76 PolarHBondContact O-N 3.09Å
77D97.3Very high97.9Very high92 Ų9248.8 Ų48.849%0.49228%0.282SS..  trans-139.678.5174.9177.523000110.6G74 T79 G80 T81G74-D77 CarbonylContact O-C 3.51Å; G74-D77 VanDerWaalsContact O-C 3.25Å; G74-D77 PolarHBondContact O-N 3.34Å; D77-T79 VanDerWaalsContact C-N 3.35Å; D77-G80 PolarHBondContact OD1-N 2.96Å; D77-G80 WeakPolarHBondContact OD2-CA 3.37Å; D77-T81 WeakPolarHBondContact O-CB 3.29Å; D77-T81 PolarHBondContact O-N 3.46Å; D77-T81 PolarHBondContact O-OG1 2.91Å
78L98.1Very high97.9Very high16 Ų1650.7 Ų50.78%0.08429%0.289CS..Hα-helixtrans-68.5-34.5179.4-69.4174.8000112.5L3 A71 T81 L82 F130 N133 V134 A137L3-L78 HydrophobicContact CD1-CD1 4.45Å; A71-L78 HydrophobicContact CB-CD2 3.86Å; A71-L78 WeakPolarHBondContact O-CD2 3.29Å; L78-T81 PolarHBondContact O-N 3.02Å; L78-L82 VanDerWaalsContact O-CB 3.26Å; L78-L82 WeakPolarHBondContact O-CB 3.49Å; L78-L82 WeakPolarHBondContact O-CG 3.17Å; L78-L82 PolarHBondContact O-N 3.35Å; L78-F130 HydrophobicContact CD1-CD2 4.36Å; L78-F130 HydrophobicContact CD1-CE2 4.43Å; L78-F130 HydrophobicContact CD2-CE2 4.03Å; L78-N133 HydrophobicContact CD1-CB 3.56Å; L78-V134 HydrophobicContact CD1-CG2 4.33Å; L78-V134 HydrophobicContact CD2-CG2 4.29Å; L78-A137 HydrophobicContact CB-CB 4.05Å
79T96.7Very high97.9Very high65 Ų6552 Ų5240%0.39929%0.294SS..Hα-helixtrans-65.7-47.9-179.9-58.80000110.9D77 A83 E140D77-T79 VanDerWaalsContact C-N 3.35Å; T79-A83 WeakPolarHBondContact O-CB 3.32Å; T79-A83 PolarHBondContact O-N 3.21Å; T79-E140 HydrophobicContact CG2-CB 4.49Å; T79-E140 HydrophobicContact CG2-CG 3.94Å
80G97.5Very high97.9Very high41 Ų4152.2 Ų52.242%0.42330%0.295SS..Hα-helixtrans-65.5-44.7174.200000112.3D77 L82 A83D77-G80 PolarHBondContact OD1-N 2.96Å; D77-G80 WeakPolarHBondContact OD2-CA 3.37Å; G80-L82 VanDerWaalsContact C-N 3.27Å; G80-L82 PolarHBondContact O-N 3.04Å; G80-A83 PolarHBondContact O-N 3.42Å
81T97.9Very high97.8Very high59 Ų5951.3 Ų51.336%0.36229%0.292SS..Hα-helixtrans-60.3-35.7-179.5-620000112.8G74 D77 L78G74-T81 PolarHBondContact O-OG1 3.47Å; D77-T81 WeakPolarHBondContact O-CB 3.29Å; D77-T81 PolarHBondContact O-N 3.46Å; D77-T81 PolarHBondContact O-OG1 2.91Å; L78-T81 PolarHBondContact O-N 3.02Å
82L98.1Very high97.7Very high5 Ų559.4 Ų59.43%0.02633%0.327CS..Hα-helixtrans-104.83.7-174.2-61.4172.6000113.8A71 L78 G80 A84 L85 S86 V134 A137 L138A71-L82 HydrophobicContact CB-CD1 4.36Å; A71-L82 HydrophobicContact CB-CD2 4.3Å; L78-L82 VanDerWaalsContact O-CB 3.26Å; L78-L82 WeakPolarHBondContact O-CB 3.49Å; L78-L82 WeakPolarHBondContact O-CG 3.17Å; L78-L82 PolarHBondContact O-N 3.35Å; G80-L82 VanDerWaalsContact C-N 3.27Å; G80-L82 PolarHBondContact O-N 3.04Å; L82-A84 PolarHBondContact O-N 3.32Å; L82-L85 HydrophobicContact CD2-CD1 3.94Å; L82-L85 CarbonylContact O-C 3.57Å; L82-L85 WeakPolarHBondContact O-CA 3.34Å; L82-L85 WeakPolarHBondContact O-CB 3.4Å; L82-L85 PolarHBondContact O-N 2.9Å; L82-S86 PolarHBondContact O-N 3.12Å; L82-V134 HydrophobicContact CD1-CB 4.28Å; L82-V134 HydrophobicContact CD1-CG1 3.84Å; L82-V134 HydrophobicContact CD1-CG2 4.26Å; L82-A137 HydrophobicContact CB-CB 4.32Å; L82-A137 HydrophobicContact CD1-CB 3.93Å; L82-L138 HydrophobicContact CB-CD2 4.28Å; L82-L138 HydrophobicContact CD1-CG 4.44Å
83A97.8Very high97.6Very high31 Ų3163.3 Ų63.326%0.25635%0.347SS..Hα-helixtrans-52-49.3-17500000113.3T79 G80 L85 S86 E87T79-A83 WeakPolarHBondContact O-CB 3.32Å; T79-A83 PolarHBondContact O-N 3.21Å; G80-A83 PolarHBondContact O-N 3.42Å; A83-L85 VanDerWaalsContact C-N 3.3Å; A83-L85 PolarHBondContact O-N 3.36Å; A83-S86 WeakPolarHBondContact O-CB 3.4Å; A83-S86 PolarHBondContact O-N 3.31Å; A83-S86 VanDerWaalsContact O-N 3.14Å; A83-E87 PolarHBondContact O-N 3.42Å
84A97.9Very high97.6Very high77 Ų7765.3 Ų65.364%0.63635%0.35SS*.Hα-helixtrans-64.8-32.7179.200000113L82 L88L82-A84 PolarHBondContact O-N 3.32Å; A84-L88 WeakPolarHBondContact O-CB 3.26Å; A84-L88 PolarHBondContact O-N 3.48Å; A84-L88 VanDerWaalsContact O-N 3.11Å
85L98.1Very high97.6Very high55 Ų5565.3 Ų65.329%0.28835%0.346SS..Hα-helixtrans-73.7-36.4174-74.5175.6000111.4A67 L82 A83 L88 H89 L138A67-L85 HydrophobicContact CB-CD1 3.72Å; L82-L85 HydrophobicContact CD2-CD1 3.94Å; L82-L85 CarbonylContact O-C 3.57Å; L82-L85 WeakPolarHBondContact O-CA 3.34Å; L82-L85 WeakPolarHBondContact O-CB 3.4Å; L82-L85 PolarHBondContact O-N 2.9Å; A83-L85 VanDerWaalsContact C-N 3.3Å; A83-L85 PolarHBondContact O-N 3.36Å; L85-L88 HydrophobicContact CD2-CD2 4.14Å; L85-L88 PolarHBondContact O-N 3.17Å; L85-H89 PolarHBondContact O-N 3.47Å; L85-H89 PolarHBondContact O-ND1 3.5Å; L85-L138 HydrophobicContact CB-CD2 3.66Å
86S98.3Very high97.6Very high0 Ų069.1 Ų69.10%037%0.367CS..Hα-helixtrans-58.3-50173.2-170.50000110.7L82 A83 L88 H89 A90 A137 L138 K141L82-S86 PolarHBondContact O-N 3.12Å; A83-S86 WeakPolarHBondContact O-CB 3.4Å; A83-S86 PolarHBondContact O-N 3.31Å; A83-S86 VanDerWaalsContact O-N 3.14Å; S86-L88 PolarHBondContact O-N 3.19Å; S86-H89 PolarHBondContact O-N 3.06Å; S86-A90 VanDerWaalsContact O-CB 3.23Å; S86-A90 WeakPolarHBondContact O-CB 3.31Å; S86-A90 PolarHBondContact O-N 3Å; S86-A137 PolarHBondContact OG-O 3.41Å; S86-L138 WeakPolarHBondContact CA-O 3.32Å; S86-L138 WeakPolarHBondContact CB-O 3.3Å; S86-L138 PolarHBondContact OG-O 3.22Å; S86-K141 WeakPolarHBondContact OG-CB 3.47Å; S86-K141 WeakPolarHBondContact OG-CG 3.38Å; S86-K141 PolarHBondContact OG-N 3.14Å
87E98Very high97.5Very high95 Ų9565.7 Ų65.744%0.44435%0.351SS..Hα-helixtrans-60.7-42.4176.8-68179.2178.800112.8A83 F91 K141A83-E87 PolarHBondContact O-N 3.42Å; E87-F91 HydrophobicContact CB-CD2 4.18Å; E87-F91 HydrophobicContact CG-CD2 4.49Å; E87-F91 HydrophobicContact CG-CE2 4.37Å; E87-F91 WeakPolarHBondContact O-CB 3.37Å; E87-F91 WeakPolarHBondContact O-CD2 3.45Å; E87-F91 PolarHBondContact O-N 3.28Å; E87-K141 HydrophobicContact CG-CB 4.33Å; E87-K141 HydrophobicContact CG-CD 4.33Å; E87-K141 HydrophobicContact CG-CG 3.87Å
88L98.3Very high97.5Very high63 Ų6364 Ų6433%0.3335%0.35SS..Iπ-helixtrans-59.2-49.9176.1175.965.7000111.1A84 L85 S86 K92 L93A84-L88 WeakPolarHBondContact O-CB 3.26Å; A84-L88 PolarHBondContact O-N 3.48Å; A84-L88 VanDerWaalsContact O-N 3.11Å; L85-L88 HydrophobicContact CD2-CD2 4.14Å; L85-L88 PolarHBondContact O-N 3.17Å; S86-L88 PolarHBondContact O-N 3.19Å; L88-K92 HydrophobicContact CD1-CB 4.06Å; L88-K92 HydrophobicContact CD1-CD 3.84Å; L88-K92 HydrophobicContact CD1-CG 4.48Å; L88-K92 WeakPolarHBondContact O-CB 3.38Å; L88-K92 PolarHBondContact O-N 2.86Å; L88-L93 HydrophobicContact CD1-CD1 4.44Å; L88-L93 HydrophobicContact CD1-CG 4.19Å; L88-L93 HydrophobicContact CD2-CD1 4.33Å; L88-L93 HydrophobicContact CG-CD1 3.94Å; L88-L93 HydrophobicContact CG-CG 4.11Å; L88-L93 PolarHBondContact O-N 3.47Å
89H98.4Very high97.5Very high40 Ų4064.1 Ų64.119%0.18535%0.351CS..Iπ-helixtrans-71-36.7-177-72.280.2000112.5L85 S86 R94 V95 F100 Y142L85-H89 PolarHBondContact O-N 3.47Å; L85-H89 PolarHBondContact O-ND1 3.5Å; S86-H89 PolarHBondContact O-N 3.06Å; H89-R94 VanDerWaalsContact O-CA 3.3Å; H89-R94 WeakPolarHBondContact O-CA 3.47Å; H89-R94 PolarHBondContact O-N 2.97Å; H89-V95 PolarHBondContact O-N 2.84Å; H89-V95 VanDerWaalsContact O-N 3.09Å; H89-F100 HydrophobicContact CB-CE1 4.38Å; H89-F100 HydrophobicContact CB-CZ 3.84Å; H89-F100 AromaticContact CD2-CE1 3.71Å; H89-Y142 VanDerWaalsContact C-OH 3.31Å; H89-Y142 HydrophobicContact CB-CE2 4.48Å; H89-Y142 WeakPolarHBondContact CB-OH 2.82Å; H89-Y142 PolarHBondContact O-OH 3.3Å
90A97.3Very high97.6Very high12 Ų1262 Ų6210%0.09934%0.336CS..Iπ-helixtrans-71.2-56.1179.500000112.3S86 K141 Y142S86-A90 VanDerWaalsContact O-CB 3.23Å; S86-A90 WeakPolarHBondContact O-CB 3.31Å; S86-A90 PolarHBondContact O-N 3Å; A90-K141 HydrophobicContact CB-CB 4.34Å; A90-Y142 HydrophobicContact CB-CD1 4.23Å; A90-Y142 HydrophobicContact CB-CD2 3.63Å; A90-Y142 HydrophobicContact CB-CE1 4.26Å; A90-Y142 HydrophobicContact CB-CE2 3.68Å; A90-Y142 HydrophobicContact CB-CG 3.95Å
91F96.3Very high97.5Very high128 Ų12867.2 Ų67.256%0.56135%0.347SS*.Iπ-helixtrans-94.6-36.3-165.7-60.5-61.4000113.7E87 K141E87-F91 HydrophobicContact CB-CD2 4.18Å; E87-F91 HydrophobicContact CG-CD2 4.49Å; E87-F91 HydrophobicContact CG-CE2 4.37Å; E87-F91 WeakPolarHBondContact O-CB 3.37Å; E87-F91 WeakPolarHBondContact O-CD2 3.45Å; E87-F91 PolarHBondContact O-N 3.28Å; F91-K141 HydrophobicContact CE2-CB 4.09Å; F91-K141 WeakPolarHBondContact CZ-O 3.36Å
92K96.5Very high97.5Very high171 Ų17165.8 Ų65.874%0.74334%0.337SS*.Iπ-helixtrans-94.7-52.2-175.9-63.7-176.3176.7178.90112.1L88L88-K92 HydrophobicContact CD1-CB 4.06Å; L88-K92 HydrophobicContact CD1-CD 3.84Å; L88-K92 HydrophobicContact CD1-CG 4.48Å; L88-K92 WeakPolarHBondContact O-CB 3.38Å; L88-K92 PolarHBondContact O-N 2.86Å
93L96.9Very high97.6Very high89 Ų8967 Ų6747%0.46634%0.343SS..Iπ-helixtrans-84.6-24.3-177-53.3179.9000112.4L88 V95L88-L93 HydrophobicContact CD1-CD1 4.44Å; L88-L93 HydrophobicContact CD1-CG 4.19Å; L88-L93 HydrophobicContact CD2-CD1 4.33Å; L88-L93 HydrophobicContact CG-CD1 3.94Å; L88-L93 HydrophobicContact CG-CG 4.11Å; L88-L93 PolarHBondContact O-N 3.47Å; L93-V95 HydrophobicContact CB-CG2 3.86Å; L93-V95 PolarHBondContact O-N 3.02Å
94R96.6Very high97.6Very high195 Ų19566 Ų6674%0.73634%0.336SS*.  trans49.143.5-179.1-59.2-177.9176.1-167.3-2.7112.2H89H89-R94 VanDerWaalsContact O-CA 3.3Å; H89-R94 WeakPolarHBondContact O-CA 3.47Å; H89-R94 PolarHBondContact O-N 2.97Å
95V97.9Very high97.6Very high19 Ų1966.6 Ų66.612%0.11533%0.325CS..  trans-72.6130178.1172.80000108.5Y43 H89 L93 P97 N99 F100 Y142Y43-V95 HydrophobicContact CD1-CB 4.5Å; Y43-V95 HydrophobicContact CD1-CG2 3.89Å; Y43-V95 HydrophobicContact CE1-CB 4.29Å; Y43-V95 HydrophobicContact CE1-CG1 4.45Å; Y43-V95 HydrophobicContact CE1-CG2 4.17Å; Y43-V95 HydrophobicContact CE2-CG1 4.44Å; Y43-V95 HydrophobicContact CG-CG2 4.3Å; H89-V95 PolarHBondContact O-N 2.84Å; H89-V95 VanDerWaalsContact O-N 3.09Å; L93-V95 HydrophobicContact CB-CG2 3.86Å; L93-V95 PolarHBondContact O-N 3.02Å; V95-P97 WeakPolarHBondContact O-CD 3.48Å; V95-N99 HydrophobicContact CG1-CB 4.26Å; V95-F100 HydrophobicContact CG1-CE1 4.34Å; V95-Y142 WeakPolarHBondContact O-CE1 3.44Å; V95-Y142 PolarHBondContact O-OH 3.49Å
96D97.8Very high97.6Very high87 Ų8764.1 Ų64.147%0.46531%0.313SS..  trans-64.1125.7175.7180-32.1000109.2Y43 A98 N99Y43-D96 WeakPolarHBondContact OH-CB 3.43Å; Y43-D96 PolarHBondContact OH-N 3.05Å; D96-A98 PolarHBondContact O-N 2.97Å; D96-A98 VanDerWaalsContact OD1-CB 3.26Å; D96-A98 WeakPolarHBondContact OD1-CB 3.37Å; D96-A98 PolarHBondContact OD1-N 3.01Å; D96-N99 WeakPolarHBondContact CB-ND2 3.49Å; D96-N99 WeakPolarHBondContact O-CB 3.35Å; D96-N99 PolarHBondContact O-N 3.42Å; D96-N99 PolarHBondContact O-ND2 3.42Å
97P96.6Very high97.7Very high39 Ų3964.6 Ų64.625%0.25332%0.315SS..THydrogen-bonded Turntrans-53-25.5-179-28.636.1000115.1V95 N99 F100 Y142V95-P97 WeakPolarHBondContact O-CD 3.48Å; P97-N99 PolarHBondContact O-N 3.05Å; P97-F100 HydrophobicContact CB-CD2 4.2Å; P97-F100 HydrophobicContact CB-CE2 4.22Å; P97-F100 WeakPolarHBondContact O-CD2 3.44Å; P97-F100 PolarHBondContact O-N 3.38Å; P97-F100 VanDerWaalsContact O-N 3.16Å; P97-Y142 VanDerWaalsContact CD-CE1 3.5Å; P97-Y142 HydrophobicContact CG-CD1 3.38Å; P97-Y142 HydrophobicContact CG-CD2 4.1Å; P97-Y142 HydrophobicContact CG-CE1 3.45Å; P97-Y142 VanDerWaalsContact CG-CE1 3.45Å; P97-Y142 HydrophobicContact CG-CE2 4.15Å; P97-Y142 HydrophobicContact CG-CG 3.7Å
98A96.3Very high97.7Very high58 Ų5860.7 Ų60.748%0.47930%0.298SS..Hα-helixtrans-57.2-29.917600000112.3D96 F100 K101D96-A98 PolarHBondContact O-N 2.97Å; D96-A98 VanDerWaalsContact OD1-CB 3.26Å; D96-A98 WeakPolarHBondContact OD1-CB 3.37Å; D96-A98 PolarHBondContact OD1-N 3.01Å; A98-F100 VanDerWaalsContact C-N 3.32Å; A98-F100 PolarHBondContact O-N 2.88Å; A98-K101 PolarHBondContact O-N 3.39Å
99N98.1Very high97.7Very high18 Ų1860.9 Ų60.910%0.09630%0.299CS..Hα-helixtrans-72.1-21.6-178.6-62.3-69.1000113.6Y43 V95 D96 P97 K101 I102 L103Y43-N99 WeakPolarHBondContact CE2-ND2 3.47Å; Y43-N99 PolarHBondContact OH-ND2 3.06Å; V95-N99 HydrophobicContact CG1-CB 4.26Å; D96-N99 WeakPolarHBondContact CB-ND2 3.49Å; D96-N99 WeakPolarHBondContact O-CB 3.35Å; D96-N99 PolarHBondContact O-N 3.42Å; D96-N99 PolarHBondContact O-ND2 3.42Å; P97-N99 PolarHBondContact O-N 3.05Å; N99-K101 VanDerWaalsContact C-N 3.26Å; N99-K101 PolarHBondContact O-N 2.92Å; N99-I102 WeakPolarHBondContact O-CB 3.4Å; N99-I102 PolarHBondContact O-N 3.5Å; N99-I102 VanDerWaalsContact O-N 3.14Å; N99-L103 PolarHBondContact O-N 2.88Å; N99-L103 VanDerWaalsContact O-N 3.09Å
100F98.3Very high97.7Very high20 Ų2059.1 Ų59.19%0.08829%0.29CS..Hα-helixtrans-62.1-37.3177.3-62.3-46.8000111.8H89 V95 P97 A98 I102 L103 G104 A135 L138 Y142H89-F100 HydrophobicContact CB-CE1 4.38Å; H89-F100 HydrophobicContact CB-CZ 3.84Å; H89-F100 AromaticContact CD2-CE1 3.71Å; V95-F100 HydrophobicContact CG1-CE1 4.34Å; P97-F100 HydrophobicContact CB-CD2 4.2Å; P97-F100 HydrophobicContact CB-CE2 4.22Å; P97-F100 WeakPolarHBondContact O-CD2 3.44Å; P97-F100 PolarHBondContact O-N 3.38Å; P97-F100 VanDerWaalsContact O-N 3.16Å; A98-F100 VanDerWaalsContact C-N 3.32Å; A98-F100 PolarHBondContact O-N 2.88Å; F100-I102 VanDerWaalsContact C-N 3.33Å; F100-L103 PolarHBondContact O-N 3.38Å; F100-G104 PolarHBondContact O-N 3.38Å; F100-A135 HydrophobicContact CB-CB 3.71Å; F100-L138 HydrophobicContact CD1-CD1 3.95Å; F100-L138 HydrophobicContact CD2-CB 4.06Å; F100-L138 HydrophobicContact CE1-CB 4.28Å; F100-L138 HydrophobicContact CE1-CD1 4.01Å; F100-L138 HydrophobicContact CE2-CB 3.76Å; F100-L138 HydrophobicContact CG-CB 4.45Å; F100-L138 HydrophobicContact CG-CD1 4.35Å; F100-L138 HydrophobicContact CZ-CB 3.89Å; F100-L138 HydrophobicContact CZ-CD1 4.46Å; F100-Y142 HydrophobicContact CE2-CE2 4.01Å; F100-Y142 HydrophobicContact CZ-CE2 4.25Å; F100-Y142 WeakPolarHBondContact CZ-OH 3.42Å
101K96.9Very high97.7Very high151 Ų15159.1 Ų59.166%0.65729%0.289SS*.Hα-helixtrans-68.4-34.2176.7-63.2-179.6-177.5177.30111.9A98 N99 G104 H105A98-K101 PolarHBondContact O-N 3.39Å; N99-K101 VanDerWaalsContact C-N 3.26Å; N99-K101 PolarHBondContact O-N 2.92Å; K101-G104 PolarHBondContact O-N 2.95Å; K101-H105 PolarHBondContact O-N 3.06Å
102I98.4Very high97.8Very high28 Ų2854.6 Ų54.614%0.14428%0.275CS..Hα-helixtrans-64.1-48.4176.2-57180000109.9M33 Y37 T40 N99 F100 G104 H105 N106M33-I102 HydrophobicContact CG-CG2 3.91Å; M33-I102 HydrophobicContact SD-CG2 4.49Å; Y37-I102 HydrophobicContact CD1-CD1 4.27Å; Y37-I102 HydrophobicContact CD1-CG2 3.64Å; Y37-I102 HydrophobicContact CD2-CG2 3.44Å; Y37-I102 VanDerWaalsContact CD2-CG2 3.44Å; Y37-I102 HydrophobicContact CE1-CG2 3.99Å; Y37-I102 HydrophobicContact CE2-CG2 3.82Å; Y37-I102 HydrophobicContact CG-CG2 3.34Å; T40-I102 HydrophobicContact CG2-CD1 4.26Å; T40-I102 HydrophobicContact CG2-CG2 4.45Å; N99-I102 WeakPolarHBondContact O-CB 3.4Å; N99-I102 PolarHBondContact O-N 3.5Å; N99-I102 VanDerWaalsContact O-N 3.14Å; F100-I102 VanDerWaalsContact C-N 3.33Å; I102-G104 VanDerWaalsContact C-N 3.35Å; I102-G104 PolarHBondContact O-N 3.39Å; I102-H105 PolarHBondContact O-N 3.45Å; I102-N106 PolarHBondContact O-N 3.14Å; I102-N106 PolarHBondContact O-ND2 2.89Å
103L98.6Very high97.8Very high31 Ų3151.2 Ų51.216%0.16226%0.263CS..Hα-helixtrans-62.7-43.5175.9-178.158.5000111.4M33 I64 N99 F100 H105 N106 I107M33-L103 HydrophobicContact SD-CB 3.73Å; M33-L103 HydrophobicContact SD-CD1 3.97Å; M33-L103 HydrophobicContact SD-CG 4.36Å; I64-L103 HydrophobicContact CD1-CD2 4.07Å; I64-L103 HydrophobicContact CG2-CD2 3.98Å; N99-L103 PolarHBondContact O-N 2.88Å; N99-L103 VanDerWaalsContact O-N 3.09Å; F100-L103 PolarHBondContact O-N 3.38Å; L103-H105 VanDerWaalsContact C-N 3.31Å; L103-H105 PolarHBondContact O-N 3.08Å; L103-N106 PolarHBondContact O-N 3.35Å; L103-N106 VanDerWaalsContact O-N 3.12Å; L103-I107 HydrophobicContact CD1-CD1 4.33Å; L103-I107 HydrophobicContact CD1-CG1 4.48Å; L103-I107 HydrophobicContact CG-CD1 3.91Å; L103-I107 WeakPolarHBondContact O-CG1 3.33Å; L103-I107 PolarHBondContact O-N 2.94Å
104G98.3Very high97.9Very high11 Ų1149.6 Ų49.611%0.11325%0.251CS..Hα-helixtrans-54.5-44.9175.500000112.8F100 K101 I102 N106 I107 V108 L131F100-G104 PolarHBondContact O-N 3.38Å; K101-G104 PolarHBondContact O-N 2.95Å; I102-G104 VanDerWaalsContact C-N 3.35Å; I102-G104 PolarHBondContact O-N 3.39Å; G104-N106 PolarHBondContact O-N 3.46Å; G104-I107 PolarHBondContact O-N 3.28Å; G104-V108 PolarHBondContact O-N 3.31Å; G104-L131 WeakPolarHBondContact O-CD1 3.4Å
105H98.3Very high97.9Very high88 Ų8841.4 Ų41.441%0.40722%0.221SC..Hα-helixtrans-60.7-44.9175.2178.269.1000112.5Y37 K101 I102 L103 I107 V108 L109Y37-H105 PolarHBondContact OH-CD2 3.09Å; K101-H105 PolarHBondContact O-N 3.06Å; I102-H105 PolarHBondContact O-N 3.45Å; L103-H105 VanDerWaalsContact C-N 3.31Å; L103-H105 PolarHBondContact O-N 3.08Å; H105-I107 VanDerWaalsContact C-N 3.28Å; H105-I107 PolarHBondContact O-N 2.79Å; H105-V108 WeakPolarHBondContact O-CB 3.24Å; H105-V108 PolarHBondContact O-N 3.32Å; H105-L109 WeakPolarHBondContact O-CG 3.39Å; H105-L109 PolarHBondContact O-N 3.3Å
106N98.6Very high97.9Very high4 Ų445.1 Ų45.12%0.02125%0.245CC..Hα-helixtrans-65.5-32.3178.1-74.1-84.6000112.4A29 R32 M33 Y37 I102 L103 G104 L109 V110A29-N106 HydrophobicContact CB-CB 4.4Å; A29-N106 WeakPolarHBondContact O-CB 3.19Å; R32-N106 VanDerWaalsContact CB-OD1 3.27Å; R32-N106 WeakPolarHBondContact CB-OD1 3.48Å; M33-N106 PolarHBondContact N-OD1 3.42Å; Y37-N106 WeakPolarHBondContact CE2-ND2 3.38Å; I102-N106 PolarHBondContact O-N 3.14Å; I102-N106 PolarHBondContact O-ND2 2.89Å; L103-N106 PolarHBondContact O-N 3.35Å; L103-N106 VanDerWaalsContact O-N 3.12Å; G104-N106 PolarHBondContact O-N 3.46Å; N106-L109 PolarHBondContact O-N 3.41Å; N106-V110 WeakPolarHBondContact O-CG2 3.36Å; N106-V110 PolarHBondContact O-N 3.48Å; N106-V110 VanDerWaalsContact O-N 3.1Å
107I98.6Very high97.9Very high10 Ų1045.2 Ų45.25%0.05126%0.259CS..Hα-helixtrans-66.3-44172.9-68.4158000110.9A29 L68 L103 G104 H105 L109 V110 L111 L131A29-I107 HydrophobicContact CB-CG1 3.91Å; L68-I107 HydrophobicContact CD1-CD1 3.54Å; L68-I107 HydrophobicContact CD1-CG1 4.5Å; L103-I107 HydrophobicContact CD1-CD1 4.33Å; L103-I107 HydrophobicContact CD1-CG1 4.48Å; L103-I107 HydrophobicContact CG-CD1 3.91Å; L103-I107 WeakPolarHBondContact O-CG1 3.33Å; L103-I107 PolarHBondContact O-N 2.94Å; G104-I107 PolarHBondContact O-N 3.28Å; H105-I107 VanDerWaalsContact C-N 3.28Å; H105-I107 PolarHBondContact O-N 2.79Å; I107-L109 VanDerWaalsContact C-N 3.32Å; I107-L109 PolarHBondContact O-N 2.76Å; I107-V110 PolarHBondContact O-N 3.13Å; I107-L111 HydrophobicContact CG2-CD1 3.86Å; I107-L111 HydrophobicContact CG2-CG 4.26Å; I107-L111 WeakPolarHBondContact O-CG 3.5Å; I107-L111 PolarHBondContact O-N 2.69Å; I107-L131 HydrophobicContact CB-CD1 4.29Å; I107-L131 HydrophobicContact CD1-CD2 4.45Å; I107-L131 HydrophobicContact CG2-CD1 4.09Å
108V98.4Very high97.9Very high13 Ų1346 Ų468%0.07926%0.261CS..Hα-helixtrans-55.9-47.6174.7163.80000110.9G104 H105 V110 L111 A112 F119 H124 V127 L131G104-V108 PolarHBondContact O-N 3.31Å; H105-V108 WeakPolarHBondContact O-CB 3.24Å; H105-V108 PolarHBondContact O-N 3.32Å; V108-V110 VanDerWaalsContact C-N 3.35Å; V108-V110 PolarHBondContact O-N 2.91Å; V108-L111 PolarHBondContact O-N 3.01Å; V108-A112 WeakPolarHBondContact O-CB 3.4Å; V108-A112 PolarHBondContact O-N 3.36Å; V108-F119 HydrophobicContact CG1-CE1 4.03Å; V108-F119 HydrophobicContact CG1-CZ 3.89Å; V108-H124 WeakPolarHBondContact CG1-NE2 3.4Å; V108-V127 HydrophobicContact CG2-CG1 4.21Å; V108-L131 HydrophobicContact CG2-CD1 3.67Å
109L97.9Very high97.9Very high67 Ų6744.5 Ų44.535%0.35124%0.243SC..Hα-helixtrans-58.8-46178-67.7179.4000111.9H105 N106 I107 A112 M113H105-L109 WeakPolarHBondContact O-CG 3.39Å; H105-L109 PolarHBondContact O-N 3.3Å; N106-L109 PolarHBondContact O-N 3.41Å; I107-L109 VanDerWaalsContact C-N 3.32Å; I107-L109 PolarHBondContact O-N 2.76Å; L109-A112 PolarHBondContact O-N 3.01Å; L109-M113 VanDerWaalsContact O-CG 3.3Å; L109-M113 WeakPolarHBondContact O-CG 3.26Å; L109-M113 PolarHBondContact O-N 2.69Å
110V98.3Very high97.9Very high2 Ų246.1 Ų46.11%0.01225%0.254CS..Hα-helixtrans-66.8-41.2-179.7171.80000111.5M25 E28 A29 N106 I107 V108 A112 M113 Y114M25-V110 HydrophobicContact CB-CG1 3.54Å; M25-V110 HydrophobicContact CG-CG1 3.61Å; M25-V110 HydrophobicContact SD-CG1 4.2Å; E28-V110 HydrophobicContact CB-CG2 4.17Å; E28-V110 HydrophobicContact CG-CG2 3.95Å; A29-V110 HydrophobicContact CB-CB 4.5Å; A29-V110 HydrophobicContact CB-CG2 3.99Å; N106-V110 WeakPolarHBondContact O-CG2 3.36Å; N106-V110 PolarHBondContact O-N 3.48Å; N106-V110 VanDerWaalsContact O-N 3.1Å; I107-V110 PolarHBondContact O-N 3.13Å; V108-V110 VanDerWaalsContact C-N 3.35Å; V108-V110 PolarHBondContact O-N 2.91Å; V110-A112 VanDerWaalsContact C-N 3.32Å; V110-A112 PolarHBondContact O-N 3.27Å; V110-M113 PolarHBondContact O-N 2.94Å; V110-Y114 HydrophobicContact CG1-CD2 3.87Å; V110-Y114 HydrophobicContact CG1-CE2 3.88Å; V110-Y114 VanDerWaalsContact O-CD2 3.26Å; V110-Y114 WeakPolarHBondContact O-CD2 3.39Å; V110-Y114 PolarHBondContact O-N 3.42Å
111L98.1Very high97.9Very high12 Ų1249.9 Ų49.96%0.06328%0.281CS..Hα-helixtrans-60.4-43.1174.9-71.7170.9000111.5L14 A18 M25 I107 V108 M113 Y114 F115 F119 V127L14-L111 HydrophobicContact CD2-CD1 4.28Å; L14-L111 HydrophobicContact CD2-CD2 4.46Å; A18-L111 HydrophobicContact CB-CD2 4.15Å; M25-L111 HydrophobicContact CE-CD2 4.41Å; M25-L111 HydrophobicContact SD-CD2 4.14Å; I107-L111 HydrophobicContact CG2-CD1 3.86Å; I107-L111 HydrophobicContact CG2-CG 4.26Å; I107-L111 WeakPolarHBondContact O-CG 3.5Å; I107-L111 PolarHBondContact O-N 2.69Å; V108-L111 PolarHBondContact O-N 3.01Å; L111-M113 VanDerWaalsContact C-N 3.33Å; L111-M113 PolarHBondContact O-N 3.47Å; L111-Y114 PolarHBondContact O-N 3.22Å; L111-F115 HydrophobicContact CD2-CD2 4.47Å; L111-F115 PolarHBondContact O-N 3.39Å; L111-F119 HydrophobicContact CB-CD2 4.03Å; L111-F119 HydrophobicContact CB-CE2 3.71Å; L111-F119 HydrophobicContact CB-CZ 4.44Å; L111-F119 HydrophobicContact CD1-CE2 4.4Å; L111-V127 HydrophobicContact CD1-CG1 3.85Å
112A98.1Very high97.9Very high33 Ų3347.9 Ų47.927%0.27327%0.273SS..Hα-helixtrans-62.8-38.2176.100000112.5V108 L109 V110 P116 F119V108-A112 WeakPolarHBondContact O-CB 3.4Å; V108-A112 PolarHBondContact O-N 3.36Å; L109-A112 PolarHBondContact O-N 3.01Å; V110-A112 VanDerWaalsContact C-N 3.32Å; V110-A112 PolarHBondContact O-N 3.27Å; A112-P116 VanDerWaalsContact O-CA 3.24Å; A112-P116 WeakPolarHBondContact O-CA 3.4Å; A112-P116 WeakPolarHBondContact O-CB 3.42Å; A112-F119 HydrophobicContact CB-CB 4.43Å; A112-F119 HydrophobicContact CB-CD1 3.48Å; A112-F119 VanDerWaalsContact CB-CD1 3.48Å; A112-F119 HydrophobicContact CB-CE1 3.85Å; A112-F119 HydrophobicContact CB-CG 3.97Å
113M97.9Very high97.9Very high101 Ų10147.7 Ų47.750%0.49827%0.274SS..Hα-helixtrans-69.6-38.6178.3-74.8-179.156.600113.2R32 L109 V110 L111R32-M113 VanDerWaalsContact CZ-SD 3.6Å; R32-M113 PolarHBondContact NH2-SD 2.99Å; L109-M113 VanDerWaalsContact O-CG 3.3Å; L109-M113 WeakPolarHBondContact O-CG 3.26Å; L109-M113 PolarHBondContact O-N 2.69Å; V110-M113 PolarHBondContact O-N 2.94Å; L111-M113 VanDerWaalsContact C-N 3.33Å; L111-M113 PolarHBondContact O-N 3.47Å
114Y97.9Very high97.9Very high54 Ų5449.6 Ų49.621%0.21228%0.282CS..Hα-helixtrans-83.2-28.1-177.2-82.5-116.9000112.6K21 E24 M25 E28 V110 L111 P116K21-Y114 HydrophobicContact CD-CD1 3.94Å; K21-Y114 HydrophobicContact CD-CE1 4.29Å; E24-Y114 HydrophobicContact CG-CE1 4.45Å; E24-Y114 PolarHBondContact OE1-OH 3Å; M25-Y114 HydrophobicContact CG-CD1 3.72Å; M25-Y114 HydrophobicContact CG-CD2 4.08Å; M25-Y114 HydrophobicContact CG-CE1 3.79Å; M25-Y114 HydrophobicContact CG-CE2 4.15Å; M25-Y114 HydrophobicContact CG-CG 3.88Å; M25-Y114 HydrophobicContact SD-CD1 3.99Å; M25-Y114 HydrophobicContact SD-CD2 4.39Å; M25-Y114 HydrophobicContact SD-CG 3.85Å; E28-Y114 WeakPolarHBondContact OE2-CE2 3.42Å; E28-Y114 PolarHBondContact OE2-OH 2.91Å; V110-Y114 HydrophobicContact CG1-CD2 3.87Å; V110-Y114 HydrophobicContact CG1-CE2 3.88Å; V110-Y114 VanDerWaalsContact O-CD2 3.26Å; V110-Y114 WeakPolarHBondContact O-CD2 3.39Å; V110-Y114 PolarHBondContact O-N 3.42Å; L111-Y114 PolarHBondContact O-N 3.22Å; Y114-P116 VanDerWaalsContact C-CD 3.42Å
115F97.6Very high97.9Very high23 Ų2353.5 Ų53.510%0.10130%0.3CS..  trans-130.351.7-175.4-55.1-78.1000112.3L14 K17 A18 M25 L111 A117 D118 F119L14-F115 HydrophobicContact CD1-CB 4.11Å; L14-F115 HydrophobicContact CD1-CD2 4.46Å; L14-F115 HydrophobicContact CD1-CG 4.29Å; K17-F115 HydrophobicContact CB-CD1 4.35Å; K17-F115 HydrophobicContact CB-CE1 4.01Å; K17-F115 WeakPolarHBondContact O-CZ 3.41Å; A18-F115 HydrophobicContact CB-CE2 3.82Å; A18-F115 HydrophobicContact CB-CZ 4.14Å; M25-F115 HydrophobicContact CE-CE2 4.03Å; M25-F115 HydrophobicContact SD-CD2 4.47Å; M25-F115 HydrophobicContact SD-CE2 3.68Å; L111-F115 HydrophobicContact CD2-CD2 4.47Å; L111-F115 PolarHBondContact O-N 3.39Å; F115-A117 PolarHBondContact O-N 3.33Å; F115-A117 VanDerWaalsContact O-N 3.15Å; F115-D118 HydrophobicContact CB-CB 4.15Å; F115-D118 CarbonylContact O-C 3.59Å; F115-D118 PolarHBondContact O-N 3.45Å; F115-F119 VanDerWaalsContact O-CB 3.29Å; F115-F119 WeakPolarHBondContact O-CB 3.33Å; F115-F119 PolarHBondContact O-N 3.48Å
116P97.4Very high97.9Very high97 Ų9749.6 Ų49.663%0.6328%0.282SS*.THydrogen-bonded Turntrans-60.4-32.2-171.524.3-35000113.5A112 Y114A112-P116 VanDerWaalsContact O-CA 3.24Å; A112-P116 WeakPolarHBondContact O-CA 3.4Å; A112-P116 WeakPolarHBondContact O-CB 3.42Å; Y114-P116 VanDerWaalsContact C-CD 3.42Å
117A97.4Very high97.9Very high90 Ų9049.7 Ų49.774%0.74428%0.283SS*.THydrogen-bonded Turntrans-74.6-28.4177.100000113.3F115F115-A117 PolarHBondContact O-N 3.33Å; F115-A117 VanDerWaalsContact O-N 3.15Å
118D96.7Very high97.9Very high56 Ų5653 Ų5330%0.29930%0.298SS..THydrogen-bonded Turntrans-94.7-17-179.7-60.3-62.2000112.5L14 K17 F115 T120L14-D118 HydrophobicContact CD1-CB 4.13Å; K17-D118 IonicContact NZ-OD1 3.3Å; K17-D118 PolarHBondContact NZ-OD1 2.91Å; K17-D118 IonicContact NZ-OD2 3Å; F115-D118 HydrophobicContact CB-CB 4.15Å; F115-D118 CarbonylContact O-C 3.59Å; F115-D118 PolarHBondContact O-N 3.45Å; D118-T120 VanDerWaalsContact C-N 3.26Å; D118-T120 PolarHBondContact O-N 3.18Å; D118-T120 VanDerWaalsContact O-N 3.1Å
119F97Very high97.9Very high25 Ų2554 Ų5411%0.1130%0.301CS..  trans-88.360.1-177.9-152-99.2000111.5L14 V108 L111 A112 F115 V123 H124 V127L14-F119 HydrophobicContact CD2-CD2 3.77Å; L14-F119 HydrophobicContact CD2-CE2 3.85Å; V108-F119 HydrophobicContact CG1-CE1 4.03Å; V108-F119 HydrophobicContact CG1-CZ 3.89Å; L111-F119 HydrophobicContact CB-CD2 4.03Å; L111-F119 HydrophobicContact CB-CE2 3.71Å; L111-F119 HydrophobicContact CB-CZ 4.44Å; L111-F119 HydrophobicContact CD1-CE2 4.4Å; A112-F119 HydrophobicContact CB-CB 4.43Å; A112-F119 HydrophobicContact CB-CD1 3.48Å; A112-F119 VanDerWaalsContact CB-CD1 3.48Å; A112-F119 HydrophobicContact CB-CE1 3.85Å; A112-F119 HydrophobicContact CB-CG 3.97Å; F115-F119 VanDerWaalsContact O-CB 3.29Å; F115-F119 WeakPolarHBondContact O-CB 3.33Å; F115-F119 PolarHBondContact O-N 3.48Å; F119-V123 HydrophobicContact CD2-CG1 4.3Å; F119-H124 HydrophobicContact CD1-CB 4.1Å; F119-H124 HydrophobicContact CE1-CB 3.55Å; F119-H124 AromaticContact CE1-CD2 3.8Å; F119-H124 AromaticContact CE1-CG 3.64Å; F119-H124 HydrophobicContact CZ-CB 4Å; F119-H124 AromaticContact CZ-CD2 3.95Å; F119-V127 HydrophobicContact CE2-CB 4.37Å; F119-V127 HydrophobicContact CE2-CG1 4.36Å; F119-V127 HydrophobicContact CE2-CG2 4.23Å
120T98.2Very high97.9Very high52 Ų5251.1 Ų51.132%0.31929%0.286SS..  trans-67.1164.7177.281.10000111.4D118 E122 V123 H124D118-T120 VanDerWaalsContact C-N 3.26Å; D118-T120 PolarHBondContact O-N 3.18Å; D118-T120 VanDerWaalsContact O-N 3.1Å; T120-E122 WeakPolarHBondContact CB-OE2 3.26Å; T120-E122 PolarHBondContact O-N 3.4Å; T120-E122 PolarHBondContact OG1-N 3.17Å; T120-E122 PolarHBondContact OG1-OE2 2.97Å; T120-V123 PolarHBondContact O-N 3.16Å; T120-V123 VanDerWaalsContact O-N 3.13Å; T120-V123 PolarHBondContact OG1-N 2.67Å; T120-H124 WeakPolarHBondContact O-CB 3.36Å; T120-H124 PolarHBondContact O-N 2.9Å
121P98.1Very high97.9Very high100 Ų10051.9 Ų51.965%0.64929%0.29SS*.Hα-helixtrans-54.4-36.2175.7-27.436.9000113.9L125P121-L125 PolarHBondContact O-N 3.04Å
122E97.2Very high97.9Very high108 Ų10854.9 Ų54.951%0.50530%0.304SS..Hα-helixtrans-69.6-44.2177.5-57.974.2-16300111.5T120 H124 L125 S126T120-E122 WeakPolarHBondContact CB-OE2 3.26Å; T120-E122 PolarHBondContact O-N 3.4Å; T120-E122 PolarHBondContact OG1-N 3.17Å; T120-E122 PolarHBondContact OG1-OE2 2.97Å; E122-H124 VanDerWaalsContact C-N 3.33Å; E122-L125 PolarHBondContact O-N 2.88Å; E122-S126 PolarHBondContact O-N 3.21Å; E122-S126 VanDerWaalsContact O-N 3.07Å; E122-S126 PolarHBondContact O-OG 2.95Å
123V98.2Very high97.9Very high25 Ų2554.8 Ų54.815%0.15230%0.298CS..Hα-helixtrans-64.6-41.9176.4173.40000110.2L14 F119 T120 L125 S126 V127L14-V123 HydrophobicContact CB-CG1 4.27Å; L14-V123 HydrophobicContact CD2-CG1 3.83Å; L14-V123 HydrophobicContact CG-CG1 4.45Å; F119-V123 HydrophobicContact CD2-CG1 4.3Å; T120-V123 PolarHBondContact O-N 3.16Å; T120-V123 VanDerWaalsContact O-N 3.13Å; T120-V123 PolarHBondContact OG1-N 2.67Å; V123-L125 PolarHBondContact O-N 3.33Å; V123-S126 PolarHBondContact O-N 2.86Å; V123-V127 HydrophobicContact CG1-CG2 4.17Å; V123-V127 WeakPolarHBondContact O-CB 3.42Å; V123-V127 VanDerWaalsContact O-CG2 3.27Å; V123-V127 WeakPolarHBondContact O-CG2 3.47Å; V123-V127 PolarHBondContact O-N 3.41Å
124H98.4Very high97.9Very high71 Ų7150.6 Ų50.633%0.32928%0.278SS..Hα-helixtrans-56.3-51.2174.5177.7-164.7000110.9V108 F119 T120 E122 S126 V127 E128V108-H124 WeakPolarHBondContact CG1-NE2 3.4Å; F119-H124 HydrophobicContact CD1-CB 4.1Å; F119-H124 HydrophobicContact CE1-CB 3.55Å; F119-H124 AromaticContact CE1-CD2 3.8Å; F119-H124 AromaticContact CE1-CG 3.64Å; F119-H124 HydrophobicContact CZ-CB 4Å; F119-H124 AromaticContact CZ-CD2 3.95Å; T120-H124 WeakPolarHBondContact O-CB 3.36Å; T120-H124 PolarHBondContact O-N 2.9Å; E122-H124 VanDerWaalsContact C-N 3.33Å; H124-S126 VanDerWaalsContact C-N 3.31Å; H124-S126 PolarHBondContact O-N 3.18Å; H124-V127 PolarHBondContact O-N 3.12Å; H124-E128 WeakPolarHBondContact O-CB 3.45Å; H124-E128 PolarHBondContact O-N 2.97Å
125L98Very high98Very high93 Ų9348.4 Ų48.449%0.48727%0.271SS..Hα-helixtrans-56.6-45.4178.117861.9000111.8P121 E122 V123 E128 K129P121-L125 PolarHBondContact O-N 3.04Å; E122-L125 PolarHBondContact O-N 2.88Å; V123-L125 PolarHBondContact O-N 3.33Å; L125-E128 PolarHBondContact O-N 2.77Å; L125-K129 HydrophobicContact CD1-CD 4.3Å; L125-K129 HydrophobicContact CD1-CG 4.37Å; L125-K129 HydrophobicContact CG-CD 4.28Å; L125-K129 WeakPolarHBondContact O-CB 3.48Å; L125-K129 VanDerWaalsContact O-CG 3.27Å; L125-K129 WeakPolarHBondContact O-CG 3.47Å; L125-K129 PolarHBondContact O-N 2.91Å
126S98.5Very high97.9Very high5 Ų552.2 Ų52.24%0.03529%0.292CS..Hα-helixtrans-65.6-40.9179.1-63.40000112.7D7 E122 V123 H124 F130D7-S126 WeakPolarHBondContact CA-OG 3.29Å; D7-S126 WeakPolarHBondContact OD1-CB 3.48Å; D7-S126 PolarHBondContact OD1-OG 3.5Å; E122-S126 PolarHBondContact O-N 3.21Å; E122-S126 VanDerWaalsContact O-N 3.07Å; E122-S126 PolarHBondContact O-OG 2.95Å; V123-S126 PolarHBondContact O-N 2.86Å; H124-S126 VanDerWaalsContact C-N 3.31Å; H124-S126 PolarHBondContact O-N 3.18Å; S126-F130 WeakPolarHBondContact O-CB 3.34Å; S126-F130 PolarHBondContact O-N 3.01Å
127V98.3Very high98Very high6 Ų647.7 Ų47.74%0.03626%0.263CS..Hα-helixtrans-66.8-43176.5170.80000111.3V11 L14 V108 L111 F119 V123 H124 F130 L131V11-V127 HydrophobicContact CG2-CG2 4.32Å; L14-V127 HydrophobicContact CD2-CG2 3.7Å; V108-V127 HydrophobicContact CG2-CG1 4.21Å; L111-V127 HydrophobicContact CD1-CG1 3.85Å; F119-V127 HydrophobicContact CE2-CB 4.37Å; F119-V127 HydrophobicContact CE2-CG1 4.36Å; F119-V127 HydrophobicContact CE2-CG2 4.23Å; V123-V127 HydrophobicContact CG1-CG2 4.17Å; V123-V127 WeakPolarHBondContact O-CB 3.42Å; V123-V127 VanDerWaalsContact O-CG2 3.27Å; V123-V127 WeakPolarHBondContact O-CG2 3.47Å; V123-V127 PolarHBondContact O-N 3.41Å; H124-V127 PolarHBondContact O-N 3.12Å; V127-F130 WeakPolarHBondContact O-CB 3.38Å; V127-F130 PolarHBondContact O-N 3.2Å; V127-L131 HydrophobicContact CG1-CD1 3.92Å; V127-L131 HydrophobicContact CG1-CG 4.43Å; V127-L131 WeakPolarHBondContact O-CG 3.48Å; V127-L131 PolarHBondContact O-N 2.83Å
128E97.8Very high98Very high81 Ų8144.4 Ų44.438%0.37923%0.233SC..Hα-helixtrans-62.3-47.3177.2-170.9-176.1-17500110.7H124 L125 F130 L131 Q132H124-E128 WeakPolarHBondContact O-CB 3.45Å; H124-E128 PolarHBondContact O-N 2.97Å; L125-E128 PolarHBondContact O-N 2.77Å; E128-F130 VanDerWaalsContact C-N 3.27Å; E128-F130 PolarHBondContact O-N 3.36Å; E128-L131 PolarHBondContact O-N 3.22Å; E128-Q132 WeakPolarHBondContact O-CB 3.34Å; E128-Q132 VanDerWaalsContact O-CG 3.29Å; E128-Q132 WeakPolarHBondContact O-CG 3.39Å; E128-Q132 PolarHBondContact O-N 2.93Å; E128-Q132 PolarHBondContact OE1-NE2 3.42Å
129K98.3Very high98Very high32 Ų3243.3 Ų43.314%0.13923%0.23CC..Hα-helixtrans-56.5-43173.7-73.7176.169-177.70111.4S2 L3 D7 L125 Q132 N133S2-K129 VanDerWaalsContact O-CE 3.27Å; S2-K129 WeakPolarHBondContact O-CE 3.5Å; S2-K129 PolarHBondContact O-NZ 2.97Å; S2-K129 VanDerWaalsContact O-NZ 3.14Å; L3-K129 HydrophobicContact CD2-CB 3.75Å; D7-K129 IonicContact OD1-NZ 3.99Å; D7-K129 IonicContact OD2-NZ 3.8Å; D7-K129 PolarHBondContact OD2-NZ 3.43Å; L125-K129 HydrophobicContact CD1-CD 4.3Å; L125-K129 HydrophobicContact CD1-CG 4.37Å; L125-K129 HydrophobicContact CG-CD 4.28Å; L125-K129 WeakPolarHBondContact O-CB 3.48Å; L125-K129 VanDerWaalsContact O-CG 3.27Å; L125-K129 WeakPolarHBondContact O-CG 3.47Å; L125-K129 PolarHBondContact O-N 2.91Å; K129-Q132 PolarHBondContact O-N 2.97Å; K129-N133 PolarHBondContact O-N 3.35Å; K129-N133 PolarHBondContact O-ND2 3.27Å
130F98.6Very high98Very high8 Ų846.9 Ų46.94%0.03525%0.247CC..Hα-helixtrans-62.6-49178.4164.2-104.4000111.6L3 V11 L68 A71 V72 I75 L78 S126 V127 E128 Q132 N133 V134L3-F130 HydrophobicContact CD1-CB 4.27Å; L3-F130 HydrophobicContact CD1-CD2 4.06Å; L3-F130 HydrophobicContact CD2-CB 4.15Å; V11-F130 HydrophobicContact CG1-CB 4.37Å; V11-F130 HydrophobicContact CG1-CD1 3.97Å; V11-F130 HydrophobicContact CG1-CD2 4.2Å; V11-F130 HydrophobicContact CG1-CE1 4.3Å; V11-F130 HydrophobicContact CG1-CG 3.92Å; V11-F130 HydrophobicContact CG2-CB 3.74Å; V11-F130 HydrophobicContact CG2-CG 4.21Å; L68-F130 HydrophobicContact CD2-CE1 4.14Å; L68-F130 HydrophobicContact CD2-CZ 4.45Å; A71-F130 HydrophobicContact CB-CE2 4.24Å; A71-F130 HydrophobicContact CB-CZ 3.88Å; V72-F130 HydrophobicContact CG2-CE1 3.94Å; V72-F130 HydrophobicContact CG2-CE2 4.27Å; V72-F130 HydrophobicContact CG2-CZ 3.57Å; I75-F130 HydrophobicContact CD1-CD2 3.71Å; I75-F130 HydrophobicContact CD1-CE2 4Å; I75-F130 HydrophobicContact CG1-CD2 3.92Å; I75-F130 HydrophobicContact CG1-CE2 4.03Å; L78-F130 HydrophobicContact CD1-CD2 4.36Å; L78-F130 HydrophobicContact CD1-CE2 4.43Å; L78-F130 HydrophobicContact CD2-CE2 4.03Å; S126-F130 WeakPolarHBondContact O-CB 3.34Å; S126-F130 PolarHBondContact O-N 3.01Å; V127-F130 WeakPolarHBondContact O-CB 3.38Å; V127-F130 PolarHBondContact O-N 3.2Å; E128-F130 VanDerWaalsContact C-N 3.27Å; E128-F130 PolarHBondContact O-N 3.36Å; F130-Q132 VanDerWaalsContact C-N 3.3Å; F130-Q132 PolarHBondContact O-N 3.07Å; F130-N133 PolarHBondContact O-N 3.4Å; F130-N133 VanDerWaalsContact O-N 3.08Å; F130-V134 HydrophobicContact CD2-CG2 4.25Å; F130-V134 HydrophobicContact CE1-CG2 4.08Å; F130-V134 HydrophobicContact CE2-CG2 3.8Å; F130-V134 HydrophobicContact CZ-CG2 3.7Å; F130-V134 WeakPolarHBondContact O-CG2 3.42Å; F130-V134 PolarHBondContact O-N 3.05Å
131L98.5Very high97.8Very high18 Ų1848.3 Ų48.39%0.09425%0.248CC..Hα-helixtrans-65.3-33.3179.4-69170.9000112.6L68 G104 I107 V108 V127 E128 V134 A135L68-L131 HydrophobicContact CD2-CD2 3.78Å; G104-L131 WeakPolarHBondContact O-CD1 3.4Å; I107-L131 HydrophobicContact CB-CD1 4.29Å; I107-L131 HydrophobicContact CD1-CD2 4.45Å; I107-L131 HydrophobicContact CG2-CD1 4.09Å; V108-L131 HydrophobicContact CG2-CD1 3.67Å; V127-L131 HydrophobicContact CG1-CD1 3.92Å; V127-L131 HydrophobicContact CG1-CG 4.43Å; V127-L131 WeakPolarHBondContact O-CG 3.48Å; V127-L131 PolarHBondContact O-N 2.83Å; E128-L131 PolarHBondContact O-N 3.22Å; L131-V134 PolarHBondContact O-N 3.17Å; L131-A135 WeakPolarHBondContact O-CB 3.33Å; L131-A135 PolarHBondContact O-N 2.58Å
132Q97.9Very high97.6Very high75 Ų7546.6 Ų46.635%0.3523%0.229SC..Hα-helixtrans-63.9-40.5171.2-73177.85.800112E128 K129 F130 A135 L136E128-Q132 WeakPolarHBondContact O-CB 3.34Å; E128-Q132 VanDerWaalsContact O-CG 3.29Å; E128-Q132 WeakPolarHBondContact O-CG 3.39Å; E128-Q132 PolarHBondContact O-N 2.93Å; E128-Q132 PolarHBondContact OE1-NE2 3.42Å; K129-Q132 PolarHBondContact O-N 2.97Å; F130-Q132 VanDerWaalsContact C-N 3.3Å; F130-Q132 PolarHBondContact O-N 3.07Å; Q132-A135 PolarHBondContact O-N 3.03Å; Q132-L136 WeakPolarHBondContact O-CB 3.36Å; Q132-L136 PolarHBondContact O-N 2.69Å
133N98.2Very high97.1Very high30 Ų3055.5 Ų55.516%0.1626%0.259CS..Hα-helixtrans-70.2-35.3175-76-79.9000112.2M1 L78 K129 F130 L136 A137M1-N133 PolarHBondContact O-ND2 3.35Å; M1-N133 PolarHBondContact O-OD1 3.41Å; L78-N133 HydrophobicContact CD1-CB 3.56Å; K129-N133 PolarHBondContact O-N 3.35Å; K129-N133 PolarHBondContact O-ND2 3.27Å; F130-N133 PolarHBondContact O-N 3.4Å; F130-N133 VanDerWaalsContact O-N 3.08Å; N133-L136 PolarHBondContact O-N 3Å; N133-A137 WeakPolarHBondContact O-CB 3.47Å; N133-A137 PolarHBondContact O-N 3.11Å
134V98.4Very high97.1Very high13 Ų1357.1 Ų57.18%0.07926%0.264CS..Hα-helixtrans-61-46.3171168.50000110.6L68 A71 L78 L82 F130 L131 L136 A137 L138L68-V134 HydrophobicContact CD2-CG1 4.09Å; L68-V134 HydrophobicContact CD2-CG2 4.3Å; A71-V134 HydrophobicContact CB-CG2 4.1Å; L78-V134 HydrophobicContact CD1-CG2 4.33Å; L78-V134 HydrophobicContact CD2-CG2 4.29Å; L82-V134 HydrophobicContact CD1-CB 4.28Å; L82-V134 HydrophobicContact CD1-CG1 3.84Å; L82-V134 HydrophobicContact CD1-CG2 4.26Å; F130-V134 HydrophobicContact CD2-CG2 4.25Å; F130-V134 HydrophobicContact CE1-CG2 4.08Å; F130-V134 HydrophobicContact CE2-CG2 3.8Å; F130-V134 HydrophobicContact CZ-CG2 3.7Å; F130-V134 WeakPolarHBondContact O-CG2 3.42Å; F130-V134 PolarHBondContact O-N 3.05Å; L131-V134 PolarHBondContact O-N 3.17Å; V134-L136 VanDerWaalsContact C-N 3.32Å; V134-L136 PolarHBondContact O-N 2.96Å; V134-A137 PolarHBondContact O-N 3.06Å; V134-L138 HydrophobicContact CG1-CD1 4.07Å; V134-L138 WeakPolarHBondContact O-CB 3.41Å; V134-L138 WeakPolarHBondContact O-CG 3.45Å; V134-L138 PolarHBondContact O-N 3.22Å
135A98.2Very high97Very high8 Ų856.3 Ų56.37%0.06626%0.26CS..Hα-helixtrans-61.8-40.2176.300000112F100 L131 Q132 L138 S139F100-A135 HydrophobicContact CB-CB 3.71Å; L131-A135 WeakPolarHBondContact O-CB 3.33Å; L131-A135 PolarHBondContact O-N 2.58Å; Q132-A135 PolarHBondContact O-N 3.03Å; A135-L138 PolarHBondContact O-N 3.09Å; A135-S139 WeakPolarHBondContact O-CB 3.46Å; A135-S139 PolarHBondContact O-N 3.29Å; A135-S139 PolarHBondContact O-OG 3.29Å
136L97.4Very high97Very high104 Ų10454.3 Ų54.355%0.54525%0.248SC..Hα-helixtrans-61.7-50174.6-178.262.8000111.4Q132 N133 V134 L138 S139 E140Q132-L136 WeakPolarHBondContact O-CB 3.36Å; Q132-L136 PolarHBondContact O-N 2.69Å; N133-L136 PolarHBondContact O-N 3Å; V134-L136 VanDerWaalsContact C-N 3.32Å; V134-L136 PolarHBondContact O-N 2.96Å; L136-L138 VanDerWaalsContact C-N 3.33Å; L136-L138 PolarHBondContact O-N 2.85Å; L136-S139 CarbonylContact O-C 3.55Å; L136-S139 WeakPolarHBondContact O-CA 2.98Å; L136-S139 WeakPolarHBondContact O-CB 3.49Å; L136-S139 PolarHBondContact O-N 3.21Å; L136-E140 PolarHBondContact O-N 2.92Å
137A97.8Very high96.9Very high2 Ų257.2 Ų57.22%0.01726%0.26CS..Hα-helixtrans-60.7-38.9177.900000112.8L78 L82 S86 N133 V134 S139 E140L78-A137 HydrophobicContact CB-CB 4.05Å; L82-A137 HydrophobicContact CB-CB 4.32Å; L82-A137 HydrophobicContact CD1-CB 3.93Å; S86-A137 PolarHBondContact OG-O 3.41Å; N133-A137 WeakPolarHBondContact O-CB 3.47Å; N133-A137 PolarHBondContact O-N 3.11Å; V134-A137 PolarHBondContact O-N 3.06Å; A137-S139 PolarHBondContact O-N 3Å; A137-E140 WeakPolarHBondContact O-CB 3.44Å; A137-E140 PolarHBondContact O-N 3.14Å
138L98.1Very high96.8Very high20 Ų2060.4 Ų60.411%0.10527%0.274CS..Hα-helixtrans-66-28.6173-72.3173.4000112.4L82 L85 S86 F100 V134 A135 L136 E140 Y142L82-L138 HydrophobicContact CB-CD2 4.28Å; L82-L138 HydrophobicContact CD1-CG 4.44Å; L85-L138 HydrophobicContact CB-CD2 3.66Å; S86-L138 WeakPolarHBondContact CA-O 3.32Å; S86-L138 WeakPolarHBondContact CB-O 3.3Å; S86-L138 PolarHBondContact OG-O 3.22Å; F100-L138 HydrophobicContact CD1-CD1 3.95Å; F100-L138 HydrophobicContact CD2-CB 4.06Å; F100-L138 HydrophobicContact CE1-CB 4.28Å; F100-L138 HydrophobicContact CE1-CD1 4.01Å; F100-L138 HydrophobicContact CE2-CB 3.76Å; F100-L138 HydrophobicContact CG-CB 4.45Å; F100-L138 HydrophobicContact CG-CD1 4.35Å; F100-L138 HydrophobicContact CZ-CB 3.89Å; F100-L138 HydrophobicContact CZ-CD1 4.46Å; V134-L138 HydrophobicContact CG1-CD1 4.07Å; V134-L138 WeakPolarHBondContact O-CB 3.41Å; V134-L138 WeakPolarHBondContact O-CG 3.45Å; V134-L138 PolarHBondContact O-N 3.22Å; A135-L138 PolarHBondContact O-N 3.09Å; L136-L138 VanDerWaalsContact C-N 3.33Å; L136-L138 PolarHBondContact O-N 2.85Å; L138-E140 VanDerWaalsContact C-N 3.33Å; L138-Y142 WeakPolarHBondContact O-CE2 3.23Å
139S97.6Very high96.7Very high33 Ų3359 Ų5923%0.23127%0.268CS..Hα-helixtrans-82.6-7.5179.7-53.60000113.7A135 L136 A137 K141 Y142A135-S139 WeakPolarHBondContact O-CB 3.46Å; A135-S139 PolarHBondContact O-N 3.29Å; A135-S139 PolarHBondContact O-OG 3.29Å; L136-S139 CarbonylContact O-C 3.55Å; L136-S139 WeakPolarHBondContact O-CA 2.98Å; L136-S139 WeakPolarHBondContact O-CB 3.49Å; L136-S139 PolarHBondContact O-N 3.21Å; A137-S139 PolarHBondContact O-N 3Å; S139-K141 VanDerWaalsContact C-N 3.34Å; S139-K141 PolarHBondContact O-N 2.94Å; S139-Y142 WeakPolarHBondContact O-CB 3.49Å; S139-Y142 WeakPolarHBondContact O-CD2 3.15Å; S139-Y142 PolarHBondContact O-N 2.86Å
140E95.8Very high96.6Very high100 Ų10060.9 Ų60.947%0.46728%0.277SS..G310 helixtrans-59.2-39.6-170.8-168.367.1-170.200113.4T79 L136 A137 L138 Y142T79-E140 HydrophobicContact CG2-CB 4.49Å; T79-E140 HydrophobicContact CG2-CG 3.94Å; L136-E140 PolarHBondContact O-N 2.92Å; A137-E140 WeakPolarHBondContact O-CB 3.44Å; A137-E140 PolarHBondContact O-N 3.14Å; L138-E140 VanDerWaalsContact C-N 3.33Å; E140-Y142 PolarHBondContact O-N 3.47Å
141K93.7Very high96.4Very high82 Ų8265 Ų6536%0.35730%0.295SS..G310 helixtrans-90.310.3-174.9-61-68.3-173.4-179.60114.8S86 E87 A90 F91 S139 R143S86-K141 WeakPolarHBondContact OG-CB 3.47Å; S86-K141 WeakPolarHBondContact OG-CG 3.38Å; S86-K141 PolarHBondContact OG-N 3.14Å; E87-K141 HydrophobicContact CG-CB 4.33Å; E87-K141 HydrophobicContact CG-CD 4.33Å; E87-K141 HydrophobicContact CG-CG 3.87Å; A90-K141 HydrophobicContact CB-CB 4.34Å; F91-K141 HydrophobicContact CE2-CB 4.09Å; F91-K141 WeakPolarHBondContact CZ-O 3.36Å; S139-K141 VanDerWaalsContact C-N 3.34Å; S139-K141 PolarHBondContact O-N 2.94Å; K141-R143 VanDerWaalsContact C-N 3.3Å; K141-R143 PolarHBondContact O-N 3.26Å
142Y94.9Very high96.3Very high64 Ų6468.9 Ų68.925%0.25131%0.312SS..G310 helixtrans-78.1-13.5-177.5-84.4-102.9000114.4H89 A90 V95 P97 F100 L138 S139 E140H89-Y142 VanDerWaalsContact C-OH 3.31Å; H89-Y142 HydrophobicContact CB-CE2 4.48Å; H89-Y142 WeakPolarHBondContact CB-OH 2.82Å; H89-Y142 PolarHBondContact O-OH 3.3Å; A90-Y142 HydrophobicContact CB-CD1 4.23Å; A90-Y142 HydrophobicContact CB-CD2 3.63Å; A90-Y142 HydrophobicContact CB-CE1 4.26Å; A90-Y142 HydrophobicContact CB-CE2 3.68Å; A90-Y142 HydrophobicContact CB-CG 3.95Å; V95-Y142 WeakPolarHBondContact O-CE1 3.44Å; V95-Y142 PolarHBondContact O-OH 3.49Å; P97-Y142 VanDerWaalsContact CD-CE1 3.5Å; P97-Y142 HydrophobicContact CG-CD1 3.38Å; P97-Y142 HydrophobicContact CG-CD2 4.1Å; P97-Y142 HydrophobicContact CG-CE1 3.45Å; P97-Y142 VanDerWaalsContact CG-CE1 3.45Å; P97-Y142 HydrophobicContact CG-CE2 4.15Å; P97-Y142 HydrophobicContact CG-CG 3.7Å; F100-Y142 HydrophobicContact CE2-CE2 4.01Å; F100-Y142 HydrophobicContact CZ-CE2 4.25Å; F100-Y142 WeakPolarHBondContact CZ-OH 3.42Å; L138-Y142 WeakPolarHBondContact O-CE2 3.23Å; S139-Y142 WeakPolarHBondContact O-CB 3.49Å; S139-Y142 WeakPolarHBondContact O-CD2 3.15Å; S139-Y142 PolarHBondContact O-N 2.86Å; E140-Y142 PolarHBondContact O-N 3.47Å
143R87.1Confident96.1Very high296 Ų29668.4 Ų68.4100%1.11731%0.309SS*.  trans-150.70-179.461.7-177.7179-177.30.6111.1K141K141-R143 VanDerWaalsContact C-N 3.3Å; K141-R143 PolarHBondContact O-N 3.26Å

Retrieved 143 of 143 residues in 120.6 ms (Link to these results)

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