A0A087YQ03_POEFO Loading...

Fem-1 homolog A

AlphaFold DB , UniProt , Accession A0A087YQ03, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 617 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
1M54.9Low89.4Confident201 Ų20144.5 Ų44.599%0.9924%0.238SC*.  0128.20-167.5177.1-76.600105.7I3 A6M1-I3 PolarHBondContact O-N 3.25Å; M1-A6 HydrophobicContact SD-CB 4.48Å
2D86.3Confident90Very high101 Ų10147.3 Ų47.354%0.5424%0.243SC..  trans-55132178.8-170.3-7.3000110T4 V5 A6D2-T4 PolarHBondContact O-N 3.32Å; D2-T4 PolarHBondContact OD1-N 3.07Å; D2-V5 HydrophobicContact CB-CB 4.26Å; D2-V5 HydrophobicContact CB-CG2 3.99Å; D2-V5 PolarHBondContact O-N 3.06Å; D2-A6 PolarHBondContact O-N 2.94Å
3I88.3Confident90.5Very high56 Ų5648.7 Ų48.729%0.28725%0.251SS..Hα-helixtrans-63.1-35.7-173.8-167.7166.8000110.6M1 A6 V7 L34M1-I3 PolarHBondContact O-N 3.25Å; I3-A6 PolarHBondContact O-N 3.39Å; I3-V7 HydrophobicContact CG1-CG2 4.4Å; I3-V7 WeakPolarHBondContact O-CG2 3.37Å; I3-V7 PolarHBondContact O-N 3Å; I3-L34 HydrophobicContact CG2-CD2 3.88Å
4T88.6Confident91Very high11 Ų1147.3 Ų47.37%0.06725%0.254CS..Hα-helixtrans-61.4-48.4177-54.30000111.1D2 A6 V7 F8 L34 E37D2-T4 PolarHBondContact O-N 3.32Å; D2-T4 PolarHBondContact OD1-N 3.07Å; T4-A6 VanDerWaalsContact C-N 3.28Å; T4-A6 PolarHBondContact O-N 2.71Å; T4-V7 PolarHBondContact O-N 3.28Å; T4-F8 VanDerWaalsContact O-CB 3.31Å; T4-F8 WeakPolarHBondContact O-CB 3.48Å; T4-F8 PolarHBondContact O-N 2.95Å; T4-L34 WeakPolarHBondContact OG1-CD2 3.35Å; T4-E37 VanDerWaalsContact CB-OE2 3.22Å; T4-E37 WeakPolarHBondContact CB-OE2 3.36Å; T4-E37 HydrophobicContact CG2-CB 3.57Å; T4-E37 HydrophobicContact CG2-CG 4.42Å; T4-E37 WeakPolarHBondContact CG2-OE2 3.25Å; T4-E37 PolarHBondContact OG1-OE2 2.85Å
5V92.8Very high91.4Very high48 Ų4850.9 Ų50.929%0.29127%0.267SS..Hα-helixtrans-63.8-36.7177.5177.60000111D2 N9 T39D2-V5 HydrophobicContact CB-CB 4.26Å; D2-V5 HydrophobicContact CB-CG2 3.99Å; D2-V5 PolarHBondContact O-N 3.06Å; V5-N9 WeakPolarHBondContact CG1-ND2 3.41Å; V5-N9 WeakPolarHBondContact O-CB 3.37Å; V5-N9 VanDerWaalsContact O-CG 3.3Å; V5-N9 PolarHBondContact O-N 3.19Å; V5-N9 PolarHBondContact O-ND2 3.46Å; V5-T39 HydrophobicContact CG2-CG2 4.2Å
6A93.4Very high91.7Very high18 Ų1849.5 Ų49.515%0.14926%0.259CS..Hα-helixtrans-67.7-44.7177.200000112.3M1 D2 I3 T4 N9 A10 L22M1-A6 HydrophobicContact SD-CB 4.48Å; D2-A6 PolarHBondContact O-N 2.94Å; I3-A6 PolarHBondContact O-N 3.39Å; T4-A6 VanDerWaalsContact C-N 3.28Å; T4-A6 PolarHBondContact O-N 2.71Å; A6-N9 PolarHBondContact O-N 3.02Å; A6-A10 VanDerWaalsContact O-CB 3.3Å; A6-A10 WeakPolarHBondContact O-CB 3.11Å; A6-A10 PolarHBondContact O-N 2.88Å; A6-L22 HydrophobicContact CB-CD1 3.99Å
7V94.1Very high91.9Very high4 Ų457.1 Ų57.12%0.02429%0.29CS..Hα-helixtrans-63.6-45175.9171.70000110.4I3 T4 N9 A10 A11 L22 L23 A44I3-V7 HydrophobicContact CG1-CG2 4.4Å; I3-V7 WeakPolarHBondContact O-CG2 3.37Å; I3-V7 PolarHBondContact O-N 3Å; T4-V7 PolarHBondContact O-N 3.28Å; V7-N9 PolarHBondContact O-N 3.13Å; V7-A10 PolarHBondContact O-N 3.44Å; V7-A11 WeakPolarHBondContact O-CB 3.4Å; V7-A11 PolarHBondContact O-N 2.66Å; V7-L22 HydrophobicContact CG2-CB 4.25Å; V7-L22 HydrophobicContact CG2-CD1 4.12Å; V7-L23 HydrophobicContact CG2-CD2 3.88Å; V7-L23 HydrophobicContact CG2-CG 4.29Å; V7-A44 HydrophobicContact CG1-CB 4.38Å
8F95.4Very high92.1Very high6 Ų658.3 Ų58.33%0.02630%0.297CS..Hα-helixtrans-57.7-50.2176.2177.8-95000112.3T4 A10 A11 R12 T39 S42 I47T4-F8 VanDerWaalsContact O-CB 3.31Å; T4-F8 WeakPolarHBondContact O-CB 3.48Å; T4-F8 PolarHBondContact O-N 2.95Å; F8-A10 VanDerWaalsContact C-N 3.32Å; F8-A10 PolarHBondContact O-N 2.62Å; F8-A11 PolarHBondContact O-N 3.49Å; F8-R12 WeakPolarHBondContact O-CB 3.48Å; F8-R12 PolarHBondContact O-N 3.03Å; F8-T39 HydrophobicContact CB-CG2 4.33Å; F8-T39 HydrophobicContact CD1-CG2 3.72Å; F8-T39 HydrophobicContact CE1-CG2 4.13Å; F8-T39 HydrophobicContact CG-CG2 3.95Å; F8-S42 WeakPolarHBondContact CE2-O 3.47Å; F8-I47 HydrophobicContact CD2-CG2 3.98Å; F8-I47 HydrophobicContact CE2-CB 3.85Å; F8-I47 HydrophobicContact CE2-CG1 4.24Å; F8-I47 HydrophobicContact CE2-CG2 3.71Å; F8-I47 HydrophobicContact CZ-CB 4.1Å; F8-I47 HydrophobicContact CZ-CD1 4.38Å; F8-I47 HydrophobicContact CZ-CG1 3.97Å; F8-I47 HydrophobicContact CZ-CG2 4.18Å
9N95.8Very high92.1Very high42 Ų4255.2 Ų55.223%0.22528%0.281CS..Hα-helixtrans-63.9-38.5178-75.6-44.9000112V5 A6 V7 A11 R12 D13V5-N9 WeakPolarHBondContact CG1-ND2 3.41Å; V5-N9 WeakPolarHBondContact O-CB 3.37Å; V5-N9 VanDerWaalsContact O-CG 3.3Å; V5-N9 PolarHBondContact O-N 3.19Å; V5-N9 PolarHBondContact O-ND2 3.46Å; A6-N9 PolarHBondContact O-N 3.02Å; V7-N9 PolarHBondContact O-N 3.13Å; N9-A11 VanDerWaalsContact C-N 3.35Å; N9-R12 PolarHBondContact O-N 2.89Å; N9-R12 PolarHBondContact OD1-NH1 3.41Å; N9-D13 WeakPolarHBondContact O-CB 3.48Å; N9-D13 PolarHBondContact O-N 3.36Å
10A96.6Very high92.3Very high2 Ų256.5 Ų56.52%0.01729%0.286CS..Hα-helixtrans-66.2-37.817600000111.8A6 V7 F8 D13 G14 K15 L18 I19A6-A10 VanDerWaalsContact O-CB 3.3Å; A6-A10 WeakPolarHBondContact O-CB 3.11Å; A6-A10 PolarHBondContact O-N 2.88Å; V7-A10 PolarHBondContact O-N 3.44Å; F8-A10 VanDerWaalsContact C-N 3.32Å; F8-A10 PolarHBondContact O-N 2.62Å; A10-D13 PolarHBondContact O-N 3.09Å; A10-G14 PolarHBondContact O-N 3.16Å; A10-G14 VanDerWaalsContact O-N 3.08Å; A10-K15 HydrophobicContact CB-CB 4.25Å; A10-K15 PolarHBondContact O-N 3.12Å; A10-L18 HydrophobicContact CB-CB 4.45Å; A10-L18 HydrophobicContact CB-CD2 3.96Å; A10-L18 HydrophobicContact CB-CG 4.22Å; A10-I19 HydrophobicContact CB-CD1 4.26Å; A10-I19 HydrophobicContact CB-CG1 3.6Å
11A97Very high92.3Very high0 Ų061.4 Ų61.40%031%0.305CS..Hα-helixtrans-68.4-42.4176.300000112V7 F8 N9 D13 G14 I19 A44 I47 A48 H53 V56 L60V7-A11 WeakPolarHBondContact O-CB 3.4Å; V7-A11 PolarHBondContact O-N 2.66Å; F8-A11 PolarHBondContact O-N 3.49Å; N9-A11 VanDerWaalsContact C-N 3.35Å; A11-D13 VanDerWaalsContact C-N 3.27Å; A11-D13 PolarHBondContact O-N 3.45Å; A11-G14 PolarHBondContact O-N 3.23Å; A11-I19 HydrophobicContact CB-CD1 4.06Å; A11-A44 HydrophobicContact CB-CB 3.93Å; A11-I47 HydrophobicContact CB-CG2 4.24Å; A11-A48 HydrophobicContact CB-CB 4.38Å; A11-H53 PolarHBondContact O-CD2 3.2Å; A11-V56 HydrophobicContact CB-CG1 4.01Å; A11-L60 HydrophobicContact CB-CD1 4.48Å
12R96.8Very high94.1Very high79 Ų7954.4 Ų54.430%0.29827%0.272SS..Hα-helixtrans-57.4-40.2172.7-175.1-167.369.6-153.3-7.4112.4F8 N9 I47 Y51 H53F8-R12 WeakPolarHBondContact O-CB 3.48Å; F8-R12 PolarHBondContact O-N 3.03Å; N9-R12 PolarHBondContact O-N 2.89Å; N9-R12 PolarHBondContact OD1-NH1 3.41Å; R12-I47 HydrophobicContact CB-CG1 3.81Å; R12-I47 HydrophobicContact CB-CG2 4.02Å; R12-I47 HydrophobicContact CG-CG1 3.71Å; R12-Y51 HydrophobicContact CG-CD2 3.81Å; R12-Y51 HydrophobicContact CG-CE2 3.54Å; R12-H53 PolarHBondContact O-CD2 3.06Å; R12-H53 PolarHBondContact O-NE2 2.69Å
13D96.9Very high94.3Very high65 Ų6550 Ų5035%0.34825%0.248SC..THydrogen-bonded Turntrans-911-176.1-62.3-4.6000113.3N9 A10 A11 K15N9-D13 WeakPolarHBondContact O-CB 3.48Å; N9-D13 PolarHBondContact O-N 3.36Å; A10-D13 PolarHBondContact O-N 3.09Å; A11-D13 VanDerWaalsContact C-N 3.27Å; A11-D13 PolarHBondContact O-N 3.45Å; D13-K15 HydrophobicContact CB-CD 3.97Å; D13-K15 HydrophobicContact CB-CG 4.05Å; D13-K15 PolarHBondContact O-N 3.03Å; D13-K15 IonicContact OD2-NZ 3.59Å; D13-K15 PolarHBondContact OD2-NZ 3.43Å
14G96.8Very high94.4Very high29 Ų2951.1 Ų51.130%0.29926%0.261SS..THydrogen-bonded Turntrans72.820.9179.600000115.3A10 A11 L16 H53A10-G14 PolarHBondContact O-N 3.16Å; A10-G14 VanDerWaalsContact O-N 3.08Å; A11-G14 PolarHBondContact O-N 3.23Å; G14-L16 PolarHBondContact O-N 3.3Å; G14-L16 VanDerWaalsContact O-N 3.09Å; G14-H53 VanDerWaalsContact CA-CG 3.45Å; G14-H53 PolarHBondContact N-CD2 3.39Å; G14-H53 PolarHBondContact N-NE2 3.26Å
15K97.2Very high94.3Very high102 Ų10258 Ų5844%0.44330%0.297SS..  trans-87.667.5-172.7-65.5171.4179.9151.30112.5A10 D13 K17 L18 I19A10-K15 HydrophobicContact CB-CB 4.25Å; A10-K15 PolarHBondContact O-N 3.12Å; D13-K15 HydrophobicContact CB-CD 3.97Å; D13-K15 HydrophobicContact CB-CG 4.05Å; D13-K15 PolarHBondContact O-N 3.03Å; D13-K15 IonicContact OD2-NZ 3.59Å; D13-K15 PolarHBondContact OD2-NZ 3.43Å; K15-K17 PolarHBondContact O-N 3.02Å; K15-L18 HydrophobicContact CB-CB 4.03Å; K15-L18 HydrophobicContact CD-CD2 4.28Å; K15-L18 WeakPolarHBondContact O-CB 3.41Å; K15-L18 PolarHBondContact O-N 2.93Å; K15-I19 PolarHBondContact O-N 3Å; K15-I19 VanDerWaalsContact O-N 3.16Å
16L96.1Very high94.2Very high28 Ų2859.1 Ų59.115%0.14730%0.298CS..Hα-helixtrans-52.3-47.4-176.7177.259.7000114G14 L18 I19 Q20 E55 V56 Y59G14-L16 PolarHBondContact O-N 3.3Å; G14-L16 VanDerWaalsContact O-N 3.09Å; L16-L18 PolarHBondContact O-N 3.33Å; L16-I19 WeakPolarHBondContact O-CB 3.34Å; L16-I19 PolarHBondContact O-N 3Å; L16-I19 VanDerWaalsContact O-N 3.08Å; L16-Q20 HydrophobicContact CD1-CG 4.07Å; L16-Q20 HydrophobicContact CG-CG 4.37Å; L16-Q20 WeakPolarHBondContact O-CG 3.46Å; L16-Q20 PolarHBondContact O-N 3.4Å; L16-E55 HydrophobicContact CD2-CB 3.93Å; L16-V56 HydrophobicContact CB-CG2 4.07Å; L16-Y59 HydrophobicContact CD1-CD1 4.03Å; L16-Y59 HydrophobicContact CD1-CD2 3.88Å; L16-Y59 HydrophobicContact CD1-CG 3.51Å
17K95.5Very high94.1Very high179 Ų17961.4 Ų61.478%0.77831%0.311SS*.Hα-helixtrans-59-34179.8-66.7-177.3-179.3177.30112.9K15 K21K15-K17 PolarHBondContact O-N 3.02Å; K17-K21 WeakPolarHBondContact O-CB 3.35Å; K17-K21 PolarHBondContact O-N 3.02Å; K17-K21 VanDerWaalsContact O-N 3.11Å
18L94.6Very high93.8Very high78 Ų7865.7 Ų65.741%0.40834%0.338SS..Hα-helixtrans-71.6-43.6176.918059.2000110.4A10 K15 L16 Q20 K21 L22A10-L18 HydrophobicContact CB-CB 4.45Å; A10-L18 HydrophobicContact CB-CD2 3.96Å; A10-L18 HydrophobicContact CB-CG 4.22Å; K15-L18 HydrophobicContact CB-CB 4.03Å; K15-L18 HydrophobicContact CD-CD2 4.28Å; K15-L18 WeakPolarHBondContact O-CB 3.41Å; K15-L18 PolarHBondContact O-N 2.93Å; L16-L18 PolarHBondContact O-N 3.33Å; L18-Q20 PolarHBondContact O-N 3.16Å; L18-K21 PolarHBondContact O-N 3.42Å; L18-L22 HydrophobicContact CD1-CD1 4.23Å; L18-L22 HydrophobicContact CD1-CG 4.17Å; L18-L22 HydrophobicContact CG-CD1 3.97Å; L18-L22 HydrophobicContact CG-CG 4.37Å; L18-L22 WeakPolarHBondContact O-CB 3.45Å; L18-L22 VanDerWaalsContact O-CG 3.24Å; L18-L22 WeakPolarHBondContact O-CG 3.46Å; L18-L22 PolarHBondContact O-N 3.4Å
19I93.8Very high93.5Very high0 Ų071.7 Ų71.70%037%0.366CS..Hα-helixtrans-57.7-50.2175.1-64.7166.8000110.3A10 A11 K15 L16 K21 L22 L23 V56 Y59A10-I19 HydrophobicContact CB-CD1 4.26Å; A10-I19 HydrophobicContact CB-CG1 3.6Å; A11-I19 HydrophobicContact CB-CD1 4.06Å; K15-I19 PolarHBondContact O-N 3Å; K15-I19 VanDerWaalsContact O-N 3.16Å; L16-I19 WeakPolarHBondContact O-CB 3.34Å; L16-I19 PolarHBondContact O-N 3Å; L16-I19 VanDerWaalsContact O-N 3.08Å; I19-K21 VanDerWaalsContact C-N 3.29Å; I19-K21 PolarHBondContact O-N 3.45Å; I19-L22 PolarHBondContact O-N 3.33Å; I19-L22 VanDerWaalsContact O-N 3.15Å; I19-L23 HydrophobicContact CG2-CD1 3.58Å; I19-L23 HydrophobicContact CG2-CG 4.27Å; I19-L23 WeakPolarHBondContact O-CB 3.43Å; I19-L23 VanDerWaalsContact O-CG 3.31Å; I19-L23 WeakPolarHBondContact O-CG 3.35Å; I19-L23 PolarHBondContact O-N 2.95Å; I19-V56 HydrophobicContact CD1-CG1 3.65Å; I19-V56 HydrophobicContact CD1-CG2 4.07Å; I19-Y59 HydrophobicContact CG2-CD1 4.01Å; I19-Y59 HydrophobicContact CG2-CE1 3.72Å
20Q94.3Very high93.3Very high81 Ų8173.1 Ų73.138%0.37937%0.372SS..Hα-helixtrans-56.4-42.9177.4-73173-20.100112.2L16 L18 L23 S24 Y59L16-Q20 HydrophobicContact CD1-CG 4.07Å; L16-Q20 HydrophobicContact CG-CG 4.37Å; L16-Q20 WeakPolarHBondContact O-CG 3.46Å; L16-Q20 PolarHBondContact O-N 3.4Å; L18-Q20 PolarHBondContact O-N 3.16Å; Q20-L23 PolarHBondContact O-N 3.14Å; Q20-S24 WeakPolarHBondContact O-CB 3.48Å; Q20-S24 PolarHBondContact O-N 2.93Å; Q20-Y59 HydrophobicContact CG-CD2 4.12Å; Q20-Y59 HydrophobicContact CG-CE1 4.49Å; Q20-Y59 HydrophobicContact CG-CE2 3.54Å
21K93.9Very high93Very high160 Ų16074.1 Ų74.170%0.69638%0.377SS*.Hα-helixtrans-65-45.3176.8-174176.6179.4179.50111.9K17 L18 I19 L23 S24K17-K21 WeakPolarHBondContact O-CB 3.35Å; K17-K21 PolarHBondContact O-N 3.02Å; K17-K21 VanDerWaalsContact O-N 3.11Å; L18-K21 PolarHBondContact O-N 3.42Å; I19-K21 VanDerWaalsContact C-N 3.29Å; I19-K21 PolarHBondContact O-N 3.45Å; K21-L23 PolarHBondContact O-N 3.5Å; K21-S24 PolarHBondContact O-OG 2.86Å
22L91.6Very high92.6Very high54 Ų5478.4 Ų78.428%0.28340%0.397SS..Hα-helixtrans-63.2-32.8179.7-70.6171.8000112.1A6 V7 L18 I19A6-L22 HydrophobicContact CB-CD1 3.99Å; V7-L22 HydrophobicContact CG2-CB 4.25Å; V7-L22 HydrophobicContact CG2-CD1 4.12Å; L18-L22 HydrophobicContact CD1-CD1 4.23Å; L18-L22 HydrophobicContact CD1-CG 4.17Å; L18-L22 HydrophobicContact CG-CD1 3.97Å; L18-L22 HydrophobicContact CG-CG 4.37Å; L18-L22 WeakPolarHBondContact O-CB 3.45Å; L18-L22 VanDerWaalsContact O-CG 3.24Å; L18-L22 WeakPolarHBondContact O-CG 3.46Å; L18-L22 PolarHBondContact O-N 3.4Å; I19-L22 PolarHBondContact O-N 3.33Å; I19-L22 VanDerWaalsContact O-N 3.15Å
23L91.3Very high92.3Very high7 Ų777 Ų774%0.03740%0.402CS..Hα-helixtrans-99.4-3.5-174.2-63.3-175.6000114.2V7 I19 Q20 K21 N25 K26 L31 L34 Y59V7-L23 HydrophobicContact CG2-CD2 3.88Å; V7-L23 HydrophobicContact CG2-CG 4.29Å; I19-L23 HydrophobicContact CG2-CD1 3.58Å; I19-L23 HydrophobicContact CG2-CG 4.27Å; I19-L23 WeakPolarHBondContact O-CB 3.43Å; I19-L23 VanDerWaalsContact O-CG 3.31Å; I19-L23 WeakPolarHBondContact O-CG 3.35Å; I19-L23 PolarHBondContact O-N 2.95Å; Q20-L23 PolarHBondContact O-N 3.14Å; K21-L23 PolarHBondContact O-N 3.5Å; L23-N25 VanDerWaalsContact C-N 3.28Å; L23-N25 PolarHBondContact O-N 2.89Å; L23-N25 VanDerWaalsContact O-N 3.13Å; L23-K26 WeakPolarHBondContact O-CB 3.29Å; L23-K26 PolarHBondContact O-N 3.05Å; L23-L31 HydrophobicContact CB-CD2 3.65Å; L23-L31 HydrophobicContact CD1-CD2 4.02Å; L23-L31 HydrophobicContact CD2-CD2 3.92Å; L23-L31 HydrophobicContact CG-CD2 4.06Å; L23-L34 HydrophobicContact CD2-CD1 3.89Å; L23-Y59 HydrophobicContact CD1-CE1 4.17Å
24S89.1Confident92Very high81 Ų8174.7 Ų74.757%0.56639%0.39SS*.THydrogen-bonded Turntrans-57.6-28.6-171.955.40000116.5Q20 K21Q20-S24 WeakPolarHBondContact O-CB 3.48Å; Q20-S24 PolarHBondContact O-N 2.93Å; K21-S24 PolarHBondContact O-OG 2.86Å
25N88.1Confident91.6Very high154 Ų15473.6 Ų73.682%0.82438%0.377SS*.THydrogen-bonded Turntrans-108.717.1-176.2-64.8-25.7000113.1L23L23-N25 VanDerWaalsContact C-N 3.28Å; L23-N25 PolarHBondContact O-N 2.89Å; L23-N25 VanDerWaalsContact O-N 3.13Å
26K90.1Very high91.3Very high72 Ų7272.4 Ų72.431%0.31337%0.374SS..  trans-97.5143.2-175.3-67-58.2-165.71780112L23 E30 L31 L34L23-K26 WeakPolarHBondContact O-CB 3.29Å; L23-K26 PolarHBondContact O-N 3.05Å; K26-E30 HydrophobicContact CB-CB 4.24Å; K26-E30 HydrophobicContact CD-CB 4.2Å; K26-E30 WeakPolarHBondContact CD-OE2 3.2Å; K26-E30 IonicContact NZ-OE1 2.72Å; K26-E30 PolarHBondContact NZ-OE1 2.81Å; K26-L31 HydrophobicContact CB-CD2 3.63Å; K26-L31 HydrophobicContact CB-CG 3.94Å; K26-L31 HydrophobicContact CG-CD2 4.39Å; K26-L34 HydrophobicContact CG-CD1 4.45Å
27T91.3Very high91.2Very high67 Ų6775.4 Ų75.441%0.41139%0.387SS..  trans-70155.517255.90000110.7E29 E30 L31T27-E29 PolarHBondContact O-N 3.12Å; T27-E30 PolarHBondContact N-OE2 3.27Å; T27-E30 PolarHBondContact O-N 3.23Å; T27-E30 VanDerWaalsContact O-N 3.12Å; T27-E30 WeakPolarHBondContact OG1-CB 3.46Å; T27-E30 WeakPolarHBondContact OG1-CG 3.45Å; T27-E30 PolarHBondContact OG1-N 2.85Å; T27-E30 PolarHBondContact OG1-OE2 2.97Å; T27-L31 WeakPolarHBondContact O-CG 3.37Å; T27-L31 PolarHBondContact O-N 3.06Å
28P88.3Confident91.1Very high93 Ų9372.4 Ų72.460%0.60437%0.374SS*.Hα-helixtrans-52.4-39.8176.6-2735.9000113.4L31 E32P28-L31 WeakPolarHBondContact O-CB 3.48Å; P28-L31 PolarHBondContact O-N 3.4Å; P28-E32 PolarHBondContact O-N 2.87Å
29E88.5Confident91Very high133 Ų13369.6 Ų69.662%0.62136%0.36SS*.Hα-helixtrans-67.3-39.5179.2-6177.4-169.200111.9T27 L31 A33T27-E29 PolarHBondContact O-N 3.12Å; E29-L31 VanDerWaalsContact C-N 3.35Å; E29-A33 WeakPolarHBondContact O-CB 3.47Å; E29-A33 PolarHBondContact O-N 2.86Å
30E90.4Very high90.8Very high71 Ų7177.2 Ų77.233%0.33240%0.395SS..Hα-helixtrans-67.6-35.6173.7-74.5173.5113.300112.1K26 T27 L34K26-E30 HydrophobicContact CB-CB 4.24Å; K26-E30 HydrophobicContact CD-CB 4.2Å; K26-E30 WeakPolarHBondContact CD-OE2 3.2Å; K26-E30 IonicContact NZ-OE1 2.72Å; K26-E30 PolarHBondContact NZ-OE1 2.81Å; T27-E30 PolarHBondContact N-OE2 3.27Å; T27-E30 PolarHBondContact O-N 3.23Å; T27-E30 VanDerWaalsContact O-N 3.12Å; T27-E30 WeakPolarHBondContact OG1-CB 3.46Å; T27-E30 WeakPolarHBondContact OG1-CG 3.45Å; T27-E30 PolarHBondContact OG1-N 2.85Å; T27-E30 PolarHBondContact OG1-OE2 2.97Å; E30-L34 VanDerWaalsContact O-CB 3.31Å; E30-L34 WeakPolarHBondContact O-CB 3.43Å; E30-L34 WeakPolarHBondContact O-CD1 3.45Å; E30-L34 WeakPolarHBondContact O-CG 3.15Å; E30-L34 PolarHBondContact O-N 3.11Å
31L90.5Very high90.7Very high23 Ų2374.7 Ų74.712%0.1239%0.391CS..Hα-helixtrans-65.2-42.3177.6-68.2176.6000111.6L23 K26 T27 P28 E29 A35 C64L23-L31 HydrophobicContact CB-CD2 3.65Å; L23-L31 HydrophobicContact CD1-CD2 4.02Å; L23-L31 HydrophobicContact CD2-CD2 3.92Å; L23-L31 HydrophobicContact CG-CD2 4.06Å; K26-L31 HydrophobicContact CB-CD2 3.63Å; K26-L31 HydrophobicContact CB-CG 3.94Å; K26-L31 HydrophobicContact CG-CD2 4.39Å; T27-L31 WeakPolarHBondContact O-CG 3.37Å; T27-L31 PolarHBondContact O-N 3.06Å; P28-L31 WeakPolarHBondContact O-CB 3.48Å; P28-L31 PolarHBondContact O-N 3.4Å; E29-L31 VanDerWaalsContact C-N 3.35Å; L31-A35 WeakPolarHBondContact O-CB 3.35Å; L31-A35 PolarHBondContact O-N 3.33Å; L31-C64 HydrophobicContact CB-CB 4.45Å
32E90Very high90.7Very high90 Ų9067.2 Ų67.242%0.42136%0.359SS..Hα-helixtrans-64.1-50.9176.7-171.7170.8-170.800110.4P28 L34 A35 E36 C64P28-E32 PolarHBondContact O-N 2.87Å; E32-L34 VanDerWaalsContact C-N 3.34Å; E32-L34 PolarHBondContact O-N 3.04Å; E32-A35 WeakPolarHBondContact O-CB 3.42Å; E32-A35 PolarHBondContact O-N 2.98Å; E32-A35 VanDerWaalsContact O-N 3.07Å; E32-E36 WeakPolarHBondContact O-CG 3.27Å; E32-E36 PolarHBondContact O-N 3.41Å; E32-C64 WeakPolarHBondContact CA-O 3.46Å
33A90.3Very high91Very high49 Ų4964.7 Ų64.741%0.40535%0.346SS..Hα-helixtrans-56.5-45.9177.200000112.4E29 A35 E36 E37E29-A33 WeakPolarHBondContact O-CB 3.47Å; E29-A33 PolarHBondContact O-N 2.86Å; A33-A35 VanDerWaalsContact C-N 3.29Å; A33-A35 PolarHBondContact O-N 3.49Å; A33-E36 PolarHBondContact O-N 2.83Å; A33-E37 PolarHBondContact O-N 3.31Å; A33-E37 VanDerWaalsContact O-N 3.16Å
34L89.6Confident91.2Very high18 Ų1864.6 Ų64.69%0.09435%0.346CS..Hα-helixtrans-65.9-29.9178.5-74.7170.8000113.2I3 T4 L23 K26 E30 E32 E36I3-L34 HydrophobicContact CG2-CD2 3.88Å; T4-L34 WeakPolarHBondContact OG1-CD2 3.35Å; L23-L34 HydrophobicContact CD2-CD1 3.89Å; K26-L34 HydrophobicContact CG-CD1 4.45Å; E30-L34 VanDerWaalsContact O-CB 3.31Å; E30-L34 WeakPolarHBondContact O-CB 3.43Å; E30-L34 WeakPolarHBondContact O-CD1 3.45Å; E30-L34 WeakPolarHBondContact O-CG 3.15Å; E30-L34 PolarHBondContact O-N 3.11Å; E32-L34 VanDerWaalsContact C-N 3.34Å; E32-L34 PolarHBondContact O-N 3.04Å; L34-E36 VanDerWaalsContact C-N 3.34Å
35A88.5Confident91.7Very high5 Ų560.8 Ų60.84%0.04132%0.319CS..Hα-helixtrans-73.6-27.8177.400000112.5L31 E32 A33 C64 A66L31-A35 WeakPolarHBondContact O-CB 3.35Å; L31-A35 PolarHBondContact O-N 3.33Å; E32-A35 WeakPolarHBondContact O-CB 3.42Å; E32-A35 PolarHBondContact O-N 2.98Å; E32-A35 VanDerWaalsContact O-N 3.07Å; A33-A35 VanDerWaalsContact C-N 3.29Å; A33-A35 PolarHBondContact O-N 3.49Å; A35-C64 HydrophobicContact CB-CB 4Å; A35-A66 HydrophobicContact CB-CB 3.86Å
36E91.5Very high92.2Very high78 Ų7853.5 Ų53.536%0.36428%0.28SS..Hα-helixtrans-86.8-21.1179.2-63.7-168.6156.100113.7E32 A33 L34 K38 L70E32-E36 WeakPolarHBondContact O-CG 3.27Å; E32-E36 PolarHBondContact O-N 3.41Å; A33-E36 PolarHBondContact O-N 2.83Å; L34-E36 VanDerWaalsContact C-N 3.34Å; E36-K38 PolarHBondContact O-N 2.77Å; E36-L70 HydrophobicContact CB-CD1 3.96Å; E36-L70 HydrophobicContact CG-CD1 3.78Å
37E93.1Very high92.5Very high90 Ų9050.7 Ų50.742%0.42127%0.268SS..  trans-60.7136.5178.1-80.7-174.1-162.900112.5T4 A33T4-E37 VanDerWaalsContact CB-OE2 3.22Å; T4-E37 WeakPolarHBondContact CB-OE2 3.36Å; T4-E37 HydrophobicContact CG2-CB 3.57Å; T4-E37 HydrophobicContact CG2-CG 4.42Å; T4-E37 WeakPolarHBondContact CG2-OE2 3.25Å; T4-E37 PolarHBondContact OG1-OE2 2.85Å; A33-E37 PolarHBondContact O-N 3.31Å; A33-E37 VanDerWaalsContact O-N 3.16Å
38K93.4Very high92.8Very high117 Ų11747.5 Ų47.551%0.50925%0.249SC..  trans-99.3124.2-178.7-66.8-175.5-179.6-1740111E36 S42 T43 G71E36-K38 PolarHBondContact O-N 2.77Å; K38-S42 CarbonylContact C-O 3.34Å; K38-S42 WeakPolarHBondContact CA-O 3.45Å; K38-T43 HydrophobicContact CG-CG2 3.97Å; K38-G71 WeakPolarHBondContact CE-O 3.44Å; K38-G71 PolarHBondContact NZ-O 3.49Å
39T93.6Very high93.3Very high18 Ų1843.1 Ų43.111%0.1122%0.22CC..BIsolated β-bridgetrans-109.5127.3168-60.70000108.4V5 F8 G41 S42V5-T39 HydrophobicContact CG2-CG2 4.2Å; F8-T39 HydrophobicContact CB-CG2 4.33Å; F8-T39 HydrophobicContact CD1-CG2 3.72Å; F8-T39 HydrophobicContact CE1-CG2 4.13Å; F8-T39 HydrophobicContact CG-CG2 3.95Å; T39-G41 PolarHBondContact O-N 3.4Å; T39-S42 PolarHBondContact N-O 3.05Å; T39-S42 PolarHBondContact O-N 3.3Å; T39-S42 VanDerWaalsContact O-O 3.11Å
40Q88.9Confident93.8Very high161 Ų16138.8 Ų38.875%0.75220%0.198SC*.THydrogen-bonded Turntrans53.436.1-176.1-59.3174.3-5.800112.9S42Q40-S42 VanDerWaalsContact C-N 3.28Å; Q40-S42 PolarHBondContact O-N 3.24Å
41G91.8Very high94.1Very high28 Ų2840.3 Ų40.329%0.28920%0.201SC..THydrogen-bonded Turntrans79.5-1.7-17900000115.5T39 G72 S73T39-G41 PolarHBondContact O-N 3.4Å; G41-G72 CarbonylContact O-C 3.51Å; G41-G72 WeakPolarHBondContact O-CA 3.37Å; G41-S73 PolarHBondContact O-N 3.46Å
42S95.6Very high94.5Very high2 Ų240.4 Ų40.41%0.01421%0.208CC..BIsolated β-bridgetrans-120146.9-177.3-93.90000113.4F8 K38 T39 Q40 L46 S73F8-S42 WeakPolarHBondContact CE2-O 3.47Å; K38-S42 CarbonylContact C-O 3.34Å; K38-S42 WeakPolarHBondContact CA-O 3.45Å; T39-S42 PolarHBondContact N-O 3.05Å; T39-S42 PolarHBondContact O-N 3.3Å; T39-S42 VanDerWaalsContact O-O 3.11Å; Q40-S42 VanDerWaalsContact C-N 3.28Å; Q40-S42 PolarHBondContact O-N 3.24Å; S42-L46 WeakPolarHBondContact OG-CD2 3.41Å; S42-S73 PolarHBondContact OG-O 2.8Å
43T96.7Very high94.9Very high2 Ų238.6 Ų38.61%0.01220%0.199CC..  trans-84.1162.5170.164.20000111.2K38 L45 L46 I47 L70K38-T43 HydrophobicContact CG-CG2 3.97Å; T43-L45 VanDerWaalsContact C-N 3.29Å; T43-L45 PolarHBondContact O-N 3.35Å; T43-L46 PolarHBondContact O-N 3.4Å; T43-L46 VanDerWaalsContact OG1-CB 3.31Å; T43-L46 WeakPolarHBondContact OG1-CB 3.39Å; T43-L46 PolarHBondContact OG1-N 3.04Å; T43-I47 PolarHBondContact O-N 3.13Å; T43-I47 VanDerWaalsContact O-N 3.1Å; T43-L70 HydrophobicContact CG2-CB 4.2Å; T43-L70 HydrophobicContact CG2-CD1 4.32Å
44A96.8Very high95.3Very high4 Ų439.1 Ų39.13%0.03320%0.195CC..Hα-helixtrans-60.2-38.2175.200000112.4V7 A11 I47 A48 L60V7-A44 HydrophobicContact CG1-CB 4.38Å; A11-A44 HydrophobicContact CB-CB 3.93Å; A44-I47 WeakPolarHBondContact O-CG2 3.28Å; A44-A48 VanDerWaalsContact O-CB 3.31Å; A44-A48 WeakPolarHBondContact O-CB 3.49Å; A44-A48 PolarHBondContact O-N 3.45Å; A44-L60 HydrophobicContact CB-CD1 4.07Å; A44-L60 HydrophobicContact CB-CD2 4.47Å
45L98.1Very high95.7Very high2 Ų244.9 Ų44.91%0.0122%0.222CC..Hα-helixtrans-66.1-44.2176.7177.863.6000111.9T43 A48 S49 V57 L60 L61 A66 P86 L102T43-L45 VanDerWaalsContact C-N 3.29Å; T43-L45 PolarHBondContact O-N 3.35Å; L45-A48 PolarHBondContact O-N 3.21Å; L45-S49 VanDerWaalsContact O-CB 3.29Å; L45-S49 WeakPolarHBondContact O-CB 3.48Å; L45-S49 PolarHBondContact O-N 3.34Å; L45-S49 PolarHBondContact O-OG 3.27Å; L45-V57 HydrophobicContact CD1-CB 4.45Å; L45-V57 HydrophobicContact CD1-CG1 3.95Å; L45-V57 HydrophobicContact CD1-CG2 4.43Å; L45-L60 HydrophobicContact CB-CD1 4.35Å; L45-L60 HydrophobicContact CD1-CB 4.37Å; L45-L61 HydrophobicContact CD1-CD1 4.47Å; L45-L61 HydrophobicContact CD1-CD2 4.11Å; L45-L61 HydrophobicContact CD1-CG 4.01Å; L45-L61 HydrophobicContact CD2-CD2 3.75Å; L45-A66 HydrophobicContact CB-CB 4.16Å; L45-A66 HydrophobicContact CD2-CB 3.94Å; L45-P86 HydrophobicContact CD2-CB 4.45Å; L45-P86 HydrophobicContact CD2-CG 3.95Å; L45-P86 HydrophobicContact CG-CB 4.23Å; L45-P86 HydrophobicContact CG-CG 3.95Å; L45-L102 HydrophobicContact CD1-CD2 4.39Å
46L98.2Very high96.1Very high0 Ų044.7 Ų44.70%022%0.22CC..Hα-helixtrans-60.9-47.8179.3175.756.4000111.2S42 T43 S49 R50 G72 V74 A84 P86 A89S42-L46 WeakPolarHBondContact OG-CD2 3.41Å; T43-L46 PolarHBondContact O-N 3.4Å; T43-L46 VanDerWaalsContact OG1-CB 3.31Å; T43-L46 WeakPolarHBondContact OG1-CB 3.39Å; T43-L46 PolarHBondContact OG1-N 3.04Å; L46-S49 PolarHBondContact O-N 3.36Å; L46-R50 WeakPolarHBondContact O-CB 3.34Å; L46-R50 PolarHBondContact O-N 3.09Å; L46-G72 VanDerWaalsContact CD2-CA 3.42Å; L46-V74 HydrophobicContact CD1-CG1 3.73Å; L46-V74 HydrophobicContact CD2-CG1 3.85Å; L46-V74 HydrophobicContact CG-CG1 3.66Å; L46-A84 WeakPolarHBondContact CD1-O 3.37Å; L46-A84 WeakPolarHBondContact CD2-O 3.34Å; L46-P86 HydrophobicContact CB-CG 4.38Å; L46-A89 HydrophobicContact CD1-CB 3.71Å
47I97.8Very high96.5Very high14 Ų1441 Ų417%0.07220%0.203CC..Hα-helixtrans-70.5-37.2-177.5-155.865.3000112F8 A11 R12 T43 A44 S49 R50 Y51F8-I47 HydrophobicContact CD2-CG2 3.98Å; F8-I47 HydrophobicContact CE2-CB 3.85Å; F8-I47 HydrophobicContact CE2-CG1 4.24Å; F8-I47 HydrophobicContact CE2-CG2 3.71Å; F8-I47 HydrophobicContact CZ-CB 4.1Å; F8-I47 HydrophobicContact CZ-CD1 4.38Å; F8-I47 HydrophobicContact CZ-CG1 3.97Å; F8-I47 HydrophobicContact CZ-CG2 4.18Å; A11-I47 HydrophobicContact CB-CG2 4.24Å; R12-I47 HydrophobicContact CB-CG1 3.81Å; R12-I47 HydrophobicContact CB-CG2 4.02Å; R12-I47 HydrophobicContact CG-CG1 3.71Å; T43-I47 PolarHBondContact O-N 3.13Å; T43-I47 VanDerWaalsContact O-N 3.1Å; A44-I47 WeakPolarHBondContact O-CG2 3.28Å; I47-S49 VanDerWaalsContact C-N 3.32Å; I47-S49 PolarHBondContact O-N 3.45Å; I47-R50 PolarHBondContact O-N 3.19Å; I47-Y51 HydrophobicContact CD1-CD2 4.09Å; I47-Y51 HydrophobicContact CD1-CE2 3.52Å; I47-Y51 HydrophobicContact CG1-CD2 3.93Å; I47-Y51 HydrophobicContact CG1-CE2 3.72Å; I47-Y51 VanDerWaalsContact O-CD2 3.22Å; I47-Y51 WeakPolarHBondContact O-CD2 3.32Å; I47-Y51 PolarHBondContact O-N 3.06Å
48A98.3Very high96.7Very high0 Ų038.9 Ų38.90%019%0.194CC..Hα-helixtrans-62.8-40.2172.800000111.7A11 A44 L45 Y51 G52 H53 V56 V57 L60A11-A48 HydrophobicContact CB-CB 4.38Å; A44-A48 VanDerWaalsContact O-CB 3.31Å; A44-A48 WeakPolarHBondContact O-CB 3.49Å; A44-A48 PolarHBondContact O-N 3.45Å; L45-A48 PolarHBondContact O-N 3.21Å; A48-Y51 PolarHBondContact O-N 3.23Å; A48-G52 PolarHBondContact O-N 3.35Å; A48-H53 HydrophobicContact CB-CB 4.47Å; A48-H53 PolarHBondContact O-N 3.32Å; A48-V56 HydrophobicContact CB-CB 4.25Å; A48-V56 HydrophobicContact CB-CG1 3.69Å; A48-V57 HydrophobicContact CB-CG2 3.9Å; A48-L60 HydrophobicContact CB-CD1 4.39Å
49S98.4Very high96.9Very high0 Ų034.7 Ų34.70%018%0.176CC..Hα-helixtrans-67.5-40.3178.2-59.30000112.2L45 L46 I47 Y51 G52 H95L45-S49 VanDerWaalsContact O-CB 3.29Å; L45-S49 WeakPolarHBondContact O-CB 3.48Å; L45-S49 PolarHBondContact O-N 3.34Å; L45-S49 PolarHBondContact O-OG 3.27Å; L46-S49 PolarHBondContact O-N 3.36Å; I47-S49 VanDerWaalsContact C-N 3.32Å; I47-S49 PolarHBondContact O-N 3.45Å; S49-Y51 VanDerWaalsContact C-N 3.3Å; S49-Y51 PolarHBondContact O-N 2.88Å; S49-G52 PolarHBondContact O-N 3.19Å; S49-H95 PolarHBondContact O-CD2 2.88Å
50R97.8Very high97Very high42 Ų4234 Ų3416%0.15817%0.171CC..Hα-helixtrans-60.6-35.1176170.859.1-174.687.9-4.4113.3L46 I47 N75 F76 A89 A93 H95L46-R50 WeakPolarHBondContact O-CB 3.34Å; L46-R50 PolarHBondContact O-N 3.09Å; I47-R50 PolarHBondContact O-N 3.19Å; R50-N75 PolarHBondContact NE-O 3.13Å; R50-N75 PolarHBondContact NH2-O 2.99Å; R50-F76 VanDerWaalsContact CD-CE2 3.41Å; R50-A89 HydrophobicContact CB-CB 4.09Å; R50-A93 WeakPolarHBondContact O-CB 3.36Å; R50-H95 PolarHBondContact O-NE2 3.31Å
51Y97.9Very high97.4Very high103 Ų10326.9 Ų26.940%0.40414%0.138SC..Hα-helixtrans-1011.6-178.5-69.4-67.3000114R12 I47 A48 S49 H53R12-Y51 HydrophobicContact CG-CD2 3.81Å; R12-Y51 HydrophobicContact CG-CE2 3.54Å; I47-Y51 HydrophobicContact CD1-CD2 4.09Å; I47-Y51 HydrophobicContact CD1-CE2 3.52Å; I47-Y51 HydrophobicContact CG1-CD2 3.93Å; I47-Y51 HydrophobicContact CG1-CE2 3.72Å; I47-Y51 VanDerWaalsContact O-CD2 3.22Å; I47-Y51 WeakPolarHBondContact O-CD2 3.32Å; I47-Y51 PolarHBondContact O-N 3.06Å; A48-Y51 PolarHBondContact O-N 3.23Å; S49-Y51 VanDerWaalsContact C-N 3.3Å; S49-Y51 PolarHBondContact O-N 2.88Å; Y51-H53 WeakPolarHBondContact CB-NE2 3.31Å
52G97.9Very high97.5Very high25 Ų2529.9 Ų29.926%0.25815%0.145SC..THydrogen-bonded Turntrans80.522.3170.400000115A48 S49 L54 H95A48-G52 PolarHBondContact O-N 3.35Å; S49-G52 PolarHBondContact O-N 3.19Å; G52-L54 VanDerWaalsContact C-N 3.34Å; G52-L54 PolarHBondContact O-N 3.21Å; G52-H95 WeakPolarHBondContact CA-CD2 3.39Å; G52-H95 VanDerWaalsContact CA-CG 3.43Å; G52-H95 PolarHBondContact N-CD2 3.09Å; G52-H95 PolarHBondContact N-NE2 3.1Å
53H98.5Very high97.4Very high52 Ų5235.1 Ų35.124%0.24117%0.169CC..  trans-81.976.9-177.3-58.8-50.4000111.5A11 R12 G14 A48 Y51 E55 V56 V57A11-H53 PolarHBondContact O-CD2 3.2Å; R12-H53 PolarHBondContact O-CD2 3.06Å; R12-H53 PolarHBondContact O-NE2 2.69Å; G14-H53 VanDerWaalsContact CA-CG 3.45Å; G14-H53 PolarHBondContact N-CD2 3.39Å; G14-H53 PolarHBondContact N-NE2 3.26Å; A48-H53 HydrophobicContact CB-CB 4.47Å; A48-H53 PolarHBondContact O-N 3.32Å; Y51-H53 WeakPolarHBondContact CB-NE2 3.31Å; H53-E55 PolarHBondContact O-N 3.18Å; H53-V56 HydrophobicContact CB-CB 4Å; H53-V56 HydrophobicContact CB-CG2 4.17Å; H53-V56 PolarHBondContact O-N 3.23Å; H53-V56 VanDerWaalsContact O-N 3.07Å; H53-V57 WeakPolarHBondContact O-CG2 3.38Å; H53-V57 PolarHBondContact O-N 3.37Å
54L98.3Very high97.1Very high60 Ų6035.1 Ų35.131%0.31417%0.169SC..Hα-helixtrans-50-51.4-174.4178.662000113.4G52 V56 V57 D58 P97 V98 T101G52-L54 VanDerWaalsContact C-N 3.34Å; G52-L54 PolarHBondContact O-N 3.21Å; L54-V56 PolarHBondContact O-N 3.07Å; L54-V57 WeakPolarHBondContact O-CB 3.43Å; L54-V57 PolarHBondContact O-N 3.35Å; L54-V57 VanDerWaalsContact O-N 3.07Å; L54-D58 PolarHBondContact O-N 3.33Å; L54-P97 HydrophobicContact CD1-CB 4.35Å; L54-P97 HydrophobicContact CD2-CB 3.92Å; L54-V98 HydrophobicContact CB-CG2 4.34Å; L54-V98 HydrophobicContact CD1-CG2 4.4Å; L54-T101 WeakPolarHBondContact CD1-OG1 3.27Å
55E98.1Very high96.9Very high139 Ų13941.2 Ų41.265%0.6520%0.195SC*.Hα-helixtrans-62.7-32.7-177.3-57-177.4174.900112.7L16 H53 Y59L16-E55 HydrophobicContact CD2-CB 3.93Å; H53-E55 PolarHBondContact O-N 3.18Å; E55-Y59 WeakPolarHBondContact O-CB 3.48Å; E55-Y59 PolarHBondContact O-N 3.16Å
56V98.1Very high96.7Very high2 Ų241.5 Ų41.51%0.01220%0.197CC..Hα-helixtrans-72.6-41.6175.3173.70000110.4A11 L16 I19 A48 H53 L54 Y59 L60A11-V56 HydrophobicContact CB-CG1 4.01Å; L16-V56 HydrophobicContact CB-CG2 4.07Å; I19-V56 HydrophobicContact CD1-CG1 3.65Å; I19-V56 HydrophobicContact CD1-CG2 4.07Å; A48-V56 HydrophobicContact CB-CB 4.25Å; A48-V56 HydrophobicContact CB-CG1 3.69Å; H53-V56 HydrophobicContact CB-CB 4Å; H53-V56 HydrophobicContact CB-CG2 4.17Å; H53-V56 PolarHBondContact O-N 3.23Å; H53-V56 VanDerWaalsContact O-N 3.07Å; L54-V56 PolarHBondContact O-N 3.07Å; V56-Y59 PolarHBondContact O-N 3.49Å; V56-L60 HydrophobicContact CG1-CD1 3.78Å; V56-L60 HydrophobicContact CG1-CG 4.21Å; V56-L60 WeakPolarHBondContact O-CB 3.23Å; V56-L60 VanDerWaalsContact O-CG 3.25Å; V56-L60 WeakPolarHBondContact O-CG 3.19Å; V56-L60 PolarHBondContact O-N 2.94Å
57V98.3Very high96.5Very high0 Ų045.9 Ų45.90%022%0.218CC..Hα-helixtrans-60.2-49175.9171.80000110.4L45 A48 H53 L54 Y59 L60 L61 V98 T101 L102L45-V57 HydrophobicContact CD1-CB 4.45Å; L45-V57 HydrophobicContact CD1-CG1 3.95Å; L45-V57 HydrophobicContact CD1-CG2 4.43Å; A48-V57 HydrophobicContact CB-CG2 3.9Å; H53-V57 WeakPolarHBondContact O-CG2 3.38Å; H53-V57 PolarHBondContact O-N 3.37Å; L54-V57 WeakPolarHBondContact O-CB 3.43Å; L54-V57 PolarHBondContact O-N 3.35Å; L54-V57 VanDerWaalsContact O-N 3.07Å; V57-Y59 VanDerWaalsContact C-N 3.34Å; V57-Y59 PolarHBondContact O-N 2.55Å; V57-L60 PolarHBondContact O-N 2.96Å; V57-L61 HydrophobicContact CG1-CD1 3.67Å; V57-L61 HydrophobicContact CG1-CG 4.43Å; V57-L61 WeakPolarHBondContact O-CB 3.31Å; V57-L61 VanDerWaalsContact O-CG 3.29Å; V57-L61 WeakPolarHBondContact O-CG 3Å; V57-L61 PolarHBondContact O-N 2.81Å; V57-V98 HydrophobicContact CG1-CG1 4.37Å; V57-V98 HydrophobicContact CG2-CG1 4.14Å; V57-V98 HydrophobicContact CG2-CG2 4.47Å; V57-T101 HydrophobicContact CG1-CG2 3.95Å; V57-L102 HydrophobicContact CG1-CD2 4.16Å; V57-L102 HydrophobicContact CG1-CG 4.46Å
58D97.9Very high96.4Very high46 Ų4646.1 Ų46.125%0.24622%0.219CC..Hα-helixtrans-57.5-47.7176.5-70.3-27.2000110.7L54 L60 L61 E62 T101L54-D58 PolarHBondContact O-N 3.33Å; D58-L60 PolarHBondContact O-N 3.2Å; D58-L61 PolarHBondContact O-N 2.98Å; D58-E62 VanDerWaalsContact O-CB 3.32Å; D58-E62 WeakPolarHBondContact O-CB 3.22Å; D58-E62 WeakPolarHBondContact O-CG 3.33Å; D58-E62 PolarHBondContact O-N 3.36Å; D58-T101 WeakPolarHBondContact OD1-CG2 3.39Å; D58-T101 PolarHBondContact OD1-OG1 3.37Å
59Y96.8Very high96.4Very high29 Ų2948.2 Ų48.211%0.11423%0.229CC..Hα-helixtrans-60.1-47.5178.5-178.5-92.4000112.7L16 I19 Q20 L23 E55 V56 V57 L61 H63L16-Y59 HydrophobicContact CD1-CD1 4.03Å; L16-Y59 HydrophobicContact CD1-CD2 3.88Å; L16-Y59 HydrophobicContact CD1-CG 3.51Å; I19-Y59 HydrophobicContact CG2-CD1 4.01Å; I19-Y59 HydrophobicContact CG2-CE1 3.72Å; Q20-Y59 HydrophobicContact CG-CD2 4.12Å; Q20-Y59 HydrophobicContact CG-CE1 4.49Å; Q20-Y59 HydrophobicContact CG-CE2 3.54Å; L23-Y59 HydrophobicContact CD1-CE1 4.17Å; E55-Y59 WeakPolarHBondContact O-CB 3.48Å; E55-Y59 PolarHBondContact O-N 3.16Å; V56-Y59 PolarHBondContact O-N 3.49Å; V57-Y59 VanDerWaalsContact C-N 3.34Å; V57-Y59 PolarHBondContact O-N 2.55Å; Y59-L61 VanDerWaalsContact C-N 3.34Å; Y59-L61 PolarHBondContact O-N 3.26Å; Y59-H63 HydrophobicContact CD2-CB 4.17Å; Y59-H63 AromaticContact CD2-CG 3.81Å; Y59-H63 AromaticContact CD2-ND1 3.67Å; Y59-H63 HydrophobicContact CE1-CB 4.43Å; Y59-H63 HydrophobicContact CE2-CB 3.95Å; Y59-H63 AromaticContact CE2-CG 3.75Å; Y59-H63 WeakPolarHBondContact O-CA 3.42Å; Y59-H63 VanDerWaalsContact O-CB 3.28Å; Y59-H63 WeakPolarHBondContact O-CB 3.19Å; Y59-H63 PolarHBondContact O-N 3.22Å
60L96.5Very high96.2Very high2 Ų250.5 Ų50.51%0.0124%0.241CC..Hα-helixtrans-64.3-37.6-179.3-70.7172.2000112.1A11 A44 L45 A48 V56 V57 D58 C64 K65 A66A11-L60 HydrophobicContact CB-CD1 4.48Å; A44-L60 HydrophobicContact CB-CD1 4.07Å; A44-L60 HydrophobicContact CB-CD2 4.47Å; L45-L60 HydrophobicContact CB-CD1 4.35Å; L45-L60 HydrophobicContact CD1-CB 4.37Å; A48-L60 HydrophobicContact CB-CD1 4.39Å; V56-L60 HydrophobicContact CG1-CD1 3.78Å; V56-L60 HydrophobicContact CG1-CG 4.21Å; V56-L60 WeakPolarHBondContact O-CB 3.23Å; V56-L60 VanDerWaalsContact O-CG 3.25Å; V56-L60 WeakPolarHBondContact O-CG 3.19Å; V56-L60 PolarHBondContact O-N 2.94Å; V57-L60 PolarHBondContact O-N 2.96Å; D58-L60 PolarHBondContact O-N 3.2Å; L60-C64 HydrophobicContact CD2-CB 4.38Å; L60-C64 CarbonylContact O-C 3.59Å; L60-C64 WeakPolarHBondContact O-CA 3.47Å; L60-C64 VanDerWaalsContact O-CB 3.31Å; L60-C64 WeakPolarHBondContact O-CB 3.5Å; L60-C64 PolarHBondContact O-N 2.89Å; L60-K65 PolarHBondContact O-N 3.16Å; L60-A66 HydrophobicContact CB-CB 4.23Å; L60-A66 WeakPolarHBondContact O-CB 3.38Å; L60-A66 PolarHBondContact O-N 3.16Å; L60-A66 VanDerWaalsContact O-N 3.09Å
61L96.6Very high96.1Very high12 Ų1249.5 Ų49.56%0.06324%0.244CC..Hα-helixtrans-73.8-45178.1-68.3168.4000112.2L45 V57 D58 Y59 V68 T101 L102 H105L45-L61 HydrophobicContact CD1-CD1 4.47Å; L45-L61 HydrophobicContact CD1-CD2 4.11Å; L45-L61 HydrophobicContact CD1-CG 4.01Å; L45-L61 HydrophobicContact CD2-CD2 3.75Å; V57-L61 HydrophobicContact CG1-CD1 3.67Å; V57-L61 HydrophobicContact CG1-CG 4.43Å; V57-L61 WeakPolarHBondContact O-CB 3.31Å; V57-L61 VanDerWaalsContact O-CG 3.29Å; V57-L61 WeakPolarHBondContact O-CG 3Å; V57-L61 PolarHBondContact O-N 2.81Å; D58-L61 PolarHBondContact O-N 2.98Å; Y59-L61 VanDerWaalsContact C-N 3.34Å; Y59-L61 PolarHBondContact O-N 3.26Å; L61-V68 HydrophobicContact CD2-CB 4.28Å; L61-V68 HydrophobicContact CD2-CG2 4.22Å; L61-T101 HydrophobicContact CD1-CG2 3.73Å; L61-L102 HydrophobicContact CD1-CD2 4.13Å; L61-H105 HydrophobicContact CD1-CB 4.05Å; L61-H105 HydrophobicContact CD2-CB 4.41Å
62E94.9Very high96Very high92 Ų9244.8 Ų44.843%0.4323%0.226SC..Hα-helixtrans-79-43.8-173.9-68.5-17516400112.6D58 K65D58-E62 VanDerWaalsContact O-CB 3.32Å; D58-E62 WeakPolarHBondContact O-CB 3.22Å; D58-E62 WeakPolarHBondContact O-CG 3.33Å; D58-E62 PolarHBondContact O-N 3.36Å; E62-K65 PolarHBondContact O-NZ 3.01Å
63H92.6Very high96Very high111 Ų11144.6 Ų44.651%0.51422%0.221SC..THydrogen-bonded Turntrans-99.1-36.3-171.2-61.672.5000113Y59Y59-H63 HydrophobicContact CD2-CB 4.17Å; Y59-H63 AromaticContact CD2-CG 3.81Å; Y59-H63 AromaticContact CD2-ND1 3.67Å; Y59-H63 HydrophobicContact CE1-CB 4.43Å; Y59-H63 HydrophobicContact CE2-CB 3.95Å; Y59-H63 AromaticContact CE2-CG 3.75Å; Y59-H63 WeakPolarHBondContact O-CA 3.42Å; Y59-H63 VanDerWaalsContact O-CB 3.28Å; Y59-H63 WeakPolarHBondContact O-CB 3.19Å; Y59-H63 PolarHBondContact O-N 3.22Å
64C91.6Very high95.9Very high3 Ų342.2 Ų42.22%0.0221%0.21CC..SBendtrans-97.9-2.2-179.8-53.90000113.7L31 E32 A35 L60 A66L31-C64 HydrophobicContact CB-CB 4.45Å; E32-C64 WeakPolarHBondContact CA-O 3.46Å; A35-C64 HydrophobicContact CB-CB 4Å; L60-C64 HydrophobicContact CD2-CB 4.38Å; L60-C64 CarbonylContact O-C 3.59Å; L60-C64 WeakPolarHBondContact O-CA 3.47Å; L60-C64 VanDerWaalsContact O-CB 3.31Å; L60-C64 WeakPolarHBondContact O-CB 3.5Å; L60-C64 PolarHBondContact O-N 2.89Å; C64-A66 PolarHBondContact O-N 3.08Å; C64-A66 VanDerWaalsContact O-N 3.1Å
65K93.3Very high95.7Very high132 Ų13243.3 Ų43.357%0.57422%0.216SC*.  trans50.933.6-177.3-57.1-54.4-175.9-155.70113.6L60 E62 H67L60-K65 PolarHBondContact O-N 3.16Å; E62-K65 PolarHBondContact O-NZ 3.01Å; K65-H67 PolarHBondContact O-N 3.49Å
66A93.1Very high95.5Very high7 Ų737.8 Ų37.86%0.05819%0.19CC..  trans-55.6129.8-177.200000111.7A35 L45 L60 C64 V68A35-A66 HydrophobicContact CB-CB 3.86Å; L45-A66 HydrophobicContact CB-CB 4.16Å; L45-A66 HydrophobicContact CD2-CB 3.94Å; L60-A66 HydrophobicContact CB-CB 4.23Å; L60-A66 WeakPolarHBondContact O-CB 3.38Å; L60-A66 PolarHBondContact O-N 3.16Å; L60-A66 VanDerWaalsContact O-N 3.09Å; C64-A66 PolarHBondContact O-N 3.08Å; C64-A66 VanDerWaalsContact O-N 3.1Å; A66-V68 PolarHBondContact O-N 2.84Å
67H94.6Very high95.1Very high93 Ų9345 Ų4543%0.43123%0.228SC..  trans-68.3114.8-178.8-169.6-60.6000111.6K65 E69 L70K65-H67 PolarHBondContact O-N 3.49Å; H67-E69 VanDerWaalsContact C-N 3.27Å; H67-E69 PolarHBondContact ND1-N 3.09Å; H67-E69 PolarHBondContact O-N 3.33Å; H67-L70 HydrophobicContact CB-CD1 3.76Å; H67-L70 HydrophobicContact CB-CG 3.78Å; H67-L70 PolarHBondContact O-N 3.28Å
68V95.8Very high94.5Very high18 Ų1848.5 Ų48.511%0.10927%0.265CS..THydrogen-bonded Turntrans-68.8-20-168.674.80000114.6L61 A66 P86 L102 A107L61-V68 HydrophobicContact CD2-CB 4.28Å; L61-V68 HydrophobicContact CD2-CG2 4.22Å; A66-V68 PolarHBondContact O-N 2.84Å; V68-P86 VanDerWaalsContact O-CD 3.26Å; V68-P86 WeakPolarHBondContact O-CD 3.27Å; V68-P86 WeakPolarHBondContact O-CG 3.29Å; V68-L102 HydrophobicContact CG2-CB 4.46Å; V68-L102 HydrophobicContact CG2-CD2 3.66Å; V68-A107 HydrophobicContact CG1-CB 4.31Å; V68-A107 HydrophobicContact CG2-CB 3.74Å
69E97.3Very high94.1Very high45 Ų4553.1 Ų53.121%0.2129%0.285CS..THydrogen-bonded Turntrans-94.4-3.8-179.1-53.1-59.815000115.3H67 G71 A107 S108 N111H67-E69 VanDerWaalsContact C-N 3.27Å; H67-E69 PolarHBondContact ND1-N 3.09Å; H67-E69 PolarHBondContact O-N 3.33Å; E69-G71 PolarHBondContact O-N 2.72Å; E69-A107 VanDerWaalsContact OE1-CA 3.23Å; E69-A107 WeakPolarHBondContact OE1-CA 3.4Å; E69-S108 PolarHBondContact OE1-N 3.19Å; E69-N111 WeakPolarHBondContact OE2-CB 3.44Å; E69-N111 PolarHBondContact OE2-ND2 3.08Å
70L95.3Very high94Very high48 Ų4855.3 Ų55.325%0.25130%0.302SS..  trans-66.1108.3-172.5-74.7177.9000111.2E36 T43 H67E36-L70 HydrophobicContact CB-CD1 3.96Å; E36-L70 HydrophobicContact CG-CD1 3.78Å; T43-L70 HydrophobicContact CG2-CB 4.2Å; T43-L70 HydrophobicContact CG2-CD1 4.32Å; H67-L70 HydrophobicContact CB-CD1 3.76Å; H67-L70 HydrophobicContact CB-CG 3.78Å; H67-L70 PolarHBondContact O-N 3.28Å
71G94.9Very high93.9Very high21 Ų2157.1 Ų57.122%0.21631%0.311CS..  trans-72.7148176.400000112.7K38 E69 A84K38-G71 WeakPolarHBondContact CE-O 3.44Å; K38-G71 PolarHBondContact NZ-O 3.49Å; E69-G71 PolarHBondContact O-N 2.72Å; G71-A84 WeakPolarHBondContact CA-O 3.34Å
72G96.1Very high93.9Very high3 Ų360.8 Ų60.83%0.03133%0.327CS..EExtended strand (participates in β ladder)trans-154.6-168.7176.700000113.2G41 L46 G83 A84G41-G72 CarbonylContact O-C 3.51Å; G41-G72 WeakPolarHBondContact O-CA 3.37Å; L46-G72 VanDerWaalsContact CD2-CA 3.42Å; G72-G83 PolarHBondContact O-N 3.21Å; G72-G83 VanDerWaalsContact O-N 3.08Å; G72-A84 PolarHBondContact N-O 3.09Å; G72-A84 PolarHBondContact O-N 3.02Å
73S96.9Very high94Very high21 Ų2157.4 Ų57.415%0.14732%0.317CS..EExtended strand (participates in β ladder)trans-96.5117.6-175.2-41.30000110.8G41 S42 I81 E82G41-S73 PolarHBondContact O-N 3.46Å; S42-S73 PolarHBondContact OG-O 2.8Å; S73-I81 WeakPolarHBondContact CA-O 3.39Å; S73-E82 WeakPolarHBondContact CB-OE2 3.33Å; S73-E82 VanDerWaalsContact OG-CD 3.3Å; S73-E82 PolarHBondContact OG-OE1 3Å; S73-E82 PolarHBondContact OG-OE2 3.14Å
74V96.6Very high94.3Very high2 Ų252.1 Ų52.11%0.01229%0.293CS..EExtended strand (participates in β ladder)trans-125.8148179.2-65.80000112.1L46 F76 I81 A84 W88 A89L46-V74 HydrophobicContact CD1-CG1 3.73Å; L46-V74 HydrophobicContact CD2-CG1 3.85Å; L46-V74 HydrophobicContact CG-CG1 3.66Å; V74-F76 HydrophobicContact CB-CE2 4.36Å; V74-F76 HydrophobicContact CG2-CD2 4.15Å; V74-F76 HydrophobicContact CG2-CE2 3.85Å; V74-I81 HydrophobicContact CG2-CB 4.18Å; V74-I81 PolarHBondContact N-O 3.47Å; V74-I81 PolarHBondContact O-N 3.28Å; V74-A84 HydrophobicContact CG2-CB 3.64Å; V74-W88 HydrophobicContact CG2-CE3 4.49Å; V74-W88 HydrophobicContact CG2-CZ3 4.1Å; V74-A89 HydrophobicContact CG1-CB 4.37Å
75N94.2Very high94.6Very high83 Ų8352 Ų5244%0.44429%0.293SS..EExtended strand (participates in β ladder)trans-102.9131.8-178.7-67.369.6000112.3R50 E79 T80R50-N75 PolarHBondContact NE-O 3.13Å; R50-N75 PolarHBondContact NH2-O 2.99Å; N75-E79 VanDerWaalsContact CA-O 3.3Å; N75-E79 WeakPolarHBondContact CA-O 3.46Å; N75-T80 PolarHBondContact ND2-OG1 3.5Å
76F93.3Very high94.8Very high24 Ų2445.8 Ų45.811%0.10527%0.265CS..EExtended strand (participates in β ladder)trans-134126.2170.9-77.1-94.8000108.4R50 V74 G78 E79 I81 W88 A92 A93R50-F76 VanDerWaalsContact CD-CE2 3.41Å; V74-F76 HydrophobicContact CB-CE2 4.36Å; V74-F76 HydrophobicContact CG2-CD2 4.15Å; V74-F76 HydrophobicContact CG2-CE2 3.85Å; F76-G78 PolarHBondContact O-N 3.49Å; F76-E79 PolarHBondContact N-O 3.31Å; F76-E79 PolarHBondContact O-N 3.28Å; F76-I81 HydrophobicContact CB-CD1 4.3Å; F76-I81 HydrophobicContact CD2-CD1 3.99Å; F76-I81 HydrophobicContact CG-CD1 4.46Å; F76-W88 HydrophobicContact CD2-CH2 4.48Å; F76-W88 HydrophobicContact CD2-CZ3 4.14Å; F76-W88 HydrophobicContact CE2-CH2 4.38Å; F76-W88 AromaticContact CE2-CZ3 3.7Å; F76-W88 HydrophobicContact CE2-CZ3 3.7Å; F76-W88 HydrophobicContact CZ-CZ3 4.37Å; F76-A92 HydrophobicContact CD1-CB 4.43Å; F76-A92 HydrophobicContact CE1-CB 3.59Å; F76-A92 HydrophobicContact CE2-CB 4.12Å; F76-A92 HydrophobicContact CZ-CB 3.4Å; F76-A92 VanDerWaalsContact CZ-CB 3.4Å; F76-A93 HydrophobicContact CE1-CB 4.08Å; F76-A93 HydrophobicContact CZ-CB 4.15Å
77D90.8Very high95.1Very high152 Ų15245.6 Ų45.681%0.81326%0.263SS*.THydrogen-bonded Turntrans50.333.2177.7-57.2-27000115.6E79D77-E79 VanDerWaalsContact C-N 3.3Å
78G85.4Confident95.3Very high74 Ų7441.8 Ų41.876%0.76325%0.245SC*.THydrogen-bonded Turntrans83.9-2.4-178.300000114.9F76F76-G78 PolarHBondContact O-N 3.49Å
79E89.8Confident95.4Very high144 Ų14440.9 Ų40.967%0.67324%0.24SC*.EExtended strand (participates in β ladder)trans-97.1135.1173.4-60.2-168.2170.300111.1N75 F76 D77N75-E79 VanDerWaalsContact CA-O 3.3Å; N75-E79 WeakPolarHBondContact CA-O 3.46Å; F76-E79 PolarHBondContact N-O 3.31Å; F76-E79 PolarHBondContact O-N 3.28Å; D77-E79 VanDerWaalsContact C-N 3.3Å
80T93.8Very high95.5Very high75 Ų7538.8 Ų38.846%0.4623%0.23SC..EExtended strand (participates in β ladder)trans-90.2127.1172.9-54.60000109.7N75 E82N75-T80 PolarHBondContact ND2-OG1 3.5Å; T80-E82 VanDerWaalsContact CG2-OE1 3.3Å; T80-E82 WeakPolarHBondContact CG2-OE1 3.39Å
81I95.8Very high95.7Very high39 Ų3936.5 Ų36.520%0.222%0.218CC..EExtended strand (participates in β ladder)trans-109.3121179.7-57.2177.5000108.5S73 V74 F76 A84 W88 T113S73-I81 WeakPolarHBondContact CA-O 3.39Å; V74-I81 HydrophobicContact CG2-CB 4.18Å; V74-I81 PolarHBondContact N-O 3.47Å; V74-I81 PolarHBondContact O-N 3.28Å; F76-I81 HydrophobicContact CB-CD1 4.3Å; F76-I81 HydrophobicContact CD2-CD1 3.99Å; F76-I81 HydrophobicContact CG-CD1 4.46Å; I81-A84 HydrophobicContact CG2-CB 4.4Å; I81-W88 HydrophobicContact CD1-CH2 3.32Å; I81-W88 HydrophobicContact CD1-CZ2 4.23Å; I81-W88 HydrophobicContact CD1-CZ3 3.89Å; I81-W88 HydrophobicContact CG2-CH2 4.1Å; I81-W88 HydrophobicContact CG2-CZ2 4.5Å; I81-W88 HydrophobicContact CG2-CZ3 4.23Å; I81-T113 HydrophobicContact CG2-CG2 3.88Å
82E96.2Very high95.8Very high89 Ų8935.6 Ų35.642%0.41621%0.208SC..EExtended strand (participates in β ladder)trans-93.1145.8-175.9-64-59.1153.700113.2S73 T80 A84 L114S73-E82 WeakPolarHBondContact CB-OE2 3.33Å; S73-E82 VanDerWaalsContact OG-CD 3.3Å; S73-E82 PolarHBondContact OG-OE1 3Å; S73-E82 PolarHBondContact OG-OE2 3.14Å; T80-E82 VanDerWaalsContact CG2-OE1 3.3Å; T80-E82 WeakPolarHBondContact CG2-OE1 3.39Å; E82-A84 VanDerWaalsContact C-N 3.27Å; E82-A84 PolarHBondContact O-N 3.19Å; E82-L114 HydrophobicContact CB-CD1 3.74Å; E82-L114 HydrophobicContact CB-CG 4.37Å; E82-L114 PolarHBondContact O-N 2.7Å
83G96.6Very high95.9Very high21 Ų2136.6 Ų36.622%0.21622%0.216CC..EExtended strand (participates in β ladder)trans66.324.7178.300000114.1G72 P85G72-G83 PolarHBondContact O-N 3.21Å; G72-G83 VanDerWaalsContact O-N 3.08Å; G83-P85 WeakPolarHBondContact O-CD 3.31Å
84A98.1Very high96Very high0 Ų036.9 Ų36.90%022%0.223CC..EExtended strand (participates in β ladder)trans-75.912117900000111.3L46 G71 G72 V74 I81 E82 W88 T113L46-A84 WeakPolarHBondContact CD1-O 3.37Å; L46-A84 WeakPolarHBondContact CD2-O 3.34Å; G71-A84 WeakPolarHBondContact CA-O 3.34Å; G72-A84 PolarHBondContact N-O 3.09Å; G72-A84 PolarHBondContact O-N 3.02Å; V74-A84 HydrophobicContact CG2-CB 3.64Å; I81-A84 HydrophobicContact CG2-CB 4.4Å; E82-A84 VanDerWaalsContact C-N 3.27Å; E82-A84 PolarHBondContact O-N 3.19Å; A84-W88 HydrophobicContact CB-CD2 4.26Å; A84-W88 HydrophobicContact CB-CE3 3.66Å; A84-W88 HydrophobicContact CB-CZ3 4.26Å; A84-T113 HydrophobicContact CB-CG2 4.11Å
85P98.2Very high96.1Very high2 Ų239.2 Ų39.21%0.01323%0.233CC..  trans-74.6159.2172.428.6-32.5000111.7G83 L87 W88 A89 N111G83-P85 WeakPolarHBondContact O-CD 3.31Å; P85-L87 VanDerWaalsContact C-N 3.27Å; P85-L87 PolarHBondContact O-N 3.28Å; P85-W88 HydrophobicContact CG-CB 3.77Å; P85-W88 WeakPolarHBondContact O-CB 3.25Å; P85-W88 PolarHBondContact O-N 3.32Å; P85-A89 PolarHBondContact O-N 3.1Å; P85-A89 VanDerWaalsContact O-N 3.1Å; P85-N111 HydrophobicContact CG-CB 4.3Å
86P98.6Very high96.3Very high0 Ų037.3 Ų37.30%022%0.223CC..Hα-helixtrans-49.2-43178.4-30.534.3000114.4L45 L46 V68 W88 A89 A90 L102L45-P86 HydrophobicContact CD2-CB 4.45Å; L45-P86 HydrophobicContact CD2-CG 3.95Å; L45-P86 HydrophobicContact CG-CB 4.23Å; L45-P86 HydrophobicContact CG-CG 3.95Å; L46-P86 HydrophobicContact CB-CG 4.38Å; V68-P86 VanDerWaalsContact O-CD 3.26Å; V68-P86 WeakPolarHBondContact O-CD 3.27Å; V68-P86 WeakPolarHBondContact O-CG 3.29Å; P86-W88 VanDerWaalsContact C-N 3.33Å; P86-W88 PolarHBondContact O-N 3.19Å; P86-A89 PolarHBondContact O-N 3.23Å; P86-A90 WeakPolarHBondContact O-CB 3.18Å; P86-A90 PolarHBondContact O-N 3.48Å; P86-L102 HydrophobicContact CB-CD1 4.06Å; P86-L102 HydrophobicContact CB-CD2 3.97Å
87L98.8Very high96.6Very high3 Ų339.6 Ų39.62%0.01624%0.241CC..Hα-helixtrans-63.4-39.3179.2179.663000112P85 S91 V99 L102 L103 A107 P119 L135P85-L87 VanDerWaalsContact C-N 3.27Å; P85-L87 PolarHBondContact O-N 3.28Å; L87-S91 VanDerWaalsContact O-CB 3.29Å; L87-S91 WeakPolarHBondContact O-CB 3.49Å; L87-S91 PolarHBondContact O-N 3.46Å; L87-S91 PolarHBondContact O-OG 2.91Å; L87-V99 HydrophobicContact CD1-CB 4.34Å; L87-V99 HydrophobicContact CD1-CG1 3.91Å; L87-V99 HydrophobicContact CD1-CG2 4.37Å; L87-L102 HydrophobicContact CB-CD1 4.32Å; L87-L102 HydrophobicContact CD1-CB 4.2Å; L87-L102 HydrophobicContact CD1-CD1 4.48Å; L87-L103 HydrophobicContact CD1-CD2 4.47Å; L87-L103 HydrophobicContact CD1-CG 4.1Å; L87-L103 HydrophobicContact CD2-CD2 3.74Å; L87-L103 HydrophobicContact CD2-CG 4.27Å; L87-A107 HydrophobicContact CB-CB 4.23Å; L87-A107 HydrophobicContact CD2-CB 4.01Å; L87-P119 HydrophobicContact CB-CG 4.45Å; L87-P119 HydrophobicContact CD2-CB 4.34Å; L87-P119 HydrophobicContact CD2-CG 3.98Å; L87-P119 HydrophobicContact CG-CB 4Å; L87-P119 HydrophobicContact CG-CG 3.91Å; L87-L135 HydrophobicContact CD1-CD2 4.4Å
88W98.8Very high97Very high13 Ų1332.4 Ų32.45%0.04920%0.202CC..Hα-helixtrans-63.7-48.7176.3-173.497.9000110.9V74 F76 I81 A84 P85 P86 A90 S91 A92 T113 S117 T118 P119 A122V74-W88 HydrophobicContact CG2-CE3 4.49Å; V74-W88 HydrophobicContact CG2-CZ3 4.1Å; F76-W88 HydrophobicContact CD2-CH2 4.48Å; F76-W88 HydrophobicContact CD2-CZ3 4.14Å; F76-W88 HydrophobicContact CE2-CH2 4.38Å; F76-W88 AromaticContact CE2-CZ3 3.7Å; F76-W88 HydrophobicContact CE2-CZ3 3.7Å; F76-W88 HydrophobicContact CZ-CZ3 4.37Å; I81-W88 HydrophobicContact CD1-CH2 3.32Å; I81-W88 HydrophobicContact CD1-CZ2 4.23Å; I81-W88 HydrophobicContact CD1-CZ3 3.89Å; I81-W88 HydrophobicContact CG2-CH2 4.1Å; I81-W88 HydrophobicContact CG2-CZ2 4.5Å; I81-W88 HydrophobicContact CG2-CZ3 4.23Å; A84-W88 HydrophobicContact CB-CD2 4.26Å; A84-W88 HydrophobicContact CB-CE3 3.66Å; A84-W88 HydrophobicContact CB-CZ3 4.26Å; P85-W88 HydrophobicContact CG-CB 3.77Å; P85-W88 WeakPolarHBondContact O-CB 3.25Å; P85-W88 PolarHBondContact O-N 3.32Å; P86-W88 VanDerWaalsContact C-N 3.33Å; P86-W88 PolarHBondContact O-N 3.19Å; W88-A90 PolarHBondContact O-N 3.06Å; W88-S91 PolarHBondContact O-N 3.44Å; W88-A92 HydrophobicContact CE3-CB 4.36Å; W88-A92 HydrophobicContact CH2-CB 4.03Å; W88-A92 HydrophobicContact CZ3-CB 3.96Å; W88-A92 WeakPolarHBondContact O-CB 3.32Å; W88-A92 PolarHBondContact O-N 3.36Å; W88-T113 HydrophobicContact CD2-CG2 3.63Å; W88-T113 VanDerWaalsContact CE2-CG2 3.46Å; W88-T113 HydrophobicContact CE3-CG2 4.24Å; W88-T113 HydrophobicContact CG-CG2 3.88Å; W88-T113 HydrophobicContact CZ2-CG2 4.03Å; W88-S117 PolarHBondContact NE1-O 3.32Å; W88-S117 PolarHBondContact NE1-OG 3.12Å; W88-T118 VanDerWaalsContact CD1-C 3.43Å; W88-T118 PolarHBondContact NE1-O 2.78Å; W88-P119 HydrophobicContact CB-CG 4.23Å; W88-A122 HydrophobicContact CD2-CB 4.23Å; W88-A122 HydrophobicContact CG-CB 4.48Å; W88-A122 HydrophobicContact CZ2-CB 3.83Å
89A98.5Very high97.6Very high0 Ų028.9 Ų28.90%017%0.166CC..Hα-helixtrans-64.2-41.4-178.400000112.5L46 R50 V74 P85 P86 S91 A93L46-A89 HydrophobicContact CD1-CB 3.71Å; R50-A89 HydrophobicContact CB-CB 4.09Å; V74-A89 HydrophobicContact CG1-CB 4.37Å; P85-A89 PolarHBondContact O-N 3.1Å; P85-A89 VanDerWaalsContact O-N 3.1Å; P86-A89 PolarHBondContact O-N 3.23Å; A89-S91 VanDerWaalsContact C-N 3.34Å; A89-A93 VanDerWaalsContact O-CB 3.29Å; A89-A93 WeakPolarHBondContact O-CB 3.41Å; A89-A93 PolarHBondContact O-N 3.45Å
90A98.8Very high98Very high0 Ų026.4 Ų26.40%015%0.153CC..Hα-helixtrans-65.2-37.617500000112.4P86 W88 G94 H95 V98 V99 L102P86-A90 WeakPolarHBondContact O-CB 3.18Å; P86-A90 PolarHBondContact O-N 3.48Å; W88-A90 PolarHBondContact O-N 3.06Å; A90-G94 PolarHBondContact O-N 3.35Å; A90-G94 VanDerWaalsContact O-N 3.15Å; A90-H95 PolarHBondContact O-N 2.94Å; A90-V98 HydrophobicContact CB-CB 4.14Å; A90-V98 HydrophobicContact CB-CG1 3.59Å; A90-V99 HydrophobicContact CB-CG2 3.92Å; A90-L102 HydrophobicContact CB-CD1 4.08Å
91S98.8Very high98.2Very high0 Ų023.7 Ų23.70%014%0.136CC..Hα-helixtrans-69.2-43.8178.9-60.10000112.1L87 W88 A89 G94 P119 H128L87-S91 VanDerWaalsContact O-CB 3.29Å; L87-S91 WeakPolarHBondContact O-CB 3.49Å; L87-S91 PolarHBondContact O-N 3.46Å; L87-S91 PolarHBondContact O-OG 2.91Å; W88-S91 PolarHBondContact O-N 3.44Å; A89-S91 VanDerWaalsContact C-N 3.34Å; S91-G94 PolarHBondContact O-N 2.9Å; S91-P119 WeakPolarHBondContact CB-O 3.44Å; S91-H128 PolarHBondContact O-CD2 2.84Å; S91-H128 VanDerWaalsContact O-CD2 3.23Å
92A98.4Very high98.4Very high2 Ų221.9 Ų21.92%0.01713%0.127CC..Hα-helixtrans-60.2-45.4173.300000111.4F76 W88 G94 A122 H128F76-A92 HydrophobicContact CD1-CB 4.43Å; F76-A92 HydrophobicContact CE1-CB 3.59Å; F76-A92 HydrophobicContact CE2-CB 4.12Å; F76-A92 HydrophobicContact CZ-CB 3.4Å; F76-A92 VanDerWaalsContact CZ-CB 3.4Å; W88-A92 HydrophobicContact CE3-CB 4.36Å; W88-A92 HydrophobicContact CH2-CB 4.03Å; W88-A92 HydrophobicContact CZ3-CB 3.96Å; W88-A92 WeakPolarHBondContact O-CB 3.32Å; W88-A92 PolarHBondContact O-N 3.36Å; A92-G94 VanDerWaalsContact C-N 3.27Å; A92-G94 PolarHBondContact O-N 3.5Å; A92-A122 HydrophobicContact CB-CB 3.88Å; A92-H128 PolarHBondContact O-CD2 3.38Å; A92-H128 PolarHBondContact O-NE2 3.23Å
93A98.2Very high98.5Very high24 Ų2418.8 Ų18.820%0.19811%0.113CC..THydrogen-bonded Turntrans-78.1-3.5-176.900000114.9R50 F76 A89 H95R50-A93 WeakPolarHBondContact O-CB 3.36Å; F76-A93 HydrophobicContact CE1-CB 4.08Å; F76-A93 HydrophobicContact CZ-CB 4.15Å; A89-A93 VanDerWaalsContact O-CB 3.29Å; A89-A93 WeakPolarHBondContact O-CB 3.41Å; A89-A93 PolarHBondContact O-N 3.45Å; A93-H95 VanDerWaalsContact CB-CD2 3.45Å; A93-H95 WeakPolarHBondContact CB-CD2 3.31Å; A93-H95 WeakPolarHBondContact CB-NE2 3.31Å
94G98.4Very high98.6Very high28 Ų2825.8 Ų25.829%0.28914%0.137SC..THydrogen-bonded Turntrans81.819.8175.600000115A90 S91 A92 L96 H128 I131A90-G94 PolarHBondContact O-N 3.35Å; A90-G94 VanDerWaalsContact O-N 3.15Å; S91-G94 PolarHBondContact O-N 2.9Å; A92-G94 VanDerWaalsContact C-N 3.27Å; A92-G94 PolarHBondContact O-N 3.5Å; G94-L96 PolarHBondContact O-N 2.85Å; G94-H128 VanDerWaalsContact CA-CD2 3.49Å; G94-H128 WeakPolarHBondContact CA-CD2 3.3Å; G94-H128 WeakPolarHBondContact CA-NE2 3.49Å; G94-H128 PolarHBondContact N-NE2 3.44Å; G94-I131 VanDerWaalsContact C-CD1 3.46Å
95H98.7Very high98.5Very high50 Ų5028.9 Ų28.923%0.23115%0.152CC..  trans-9272.8-174.8-58.3-43.9000112.6S49 R50 G52 A90 A93 P97 V98 V99S49-H95 PolarHBondContact O-CD2 2.88Å; R50-H95 PolarHBondContact O-NE2 3.31Å; G52-H95 WeakPolarHBondContact CA-CD2 3.39Å; G52-H95 VanDerWaalsContact CA-CG 3.43Å; G52-H95 PolarHBondContact N-CD2 3.09Å; G52-H95 PolarHBondContact N-NE2 3.1Å; A90-H95 PolarHBondContact O-N 2.94Å; A93-H95 VanDerWaalsContact CB-CD2 3.45Å; A93-H95 WeakPolarHBondContact CB-CD2 3.31Å; A93-H95 WeakPolarHBondContact CB-NE2 3.31Å; H95-P97 VanDerWaalsContact C-CD 3.49Å; H95-V98 HydrophobicContact CB-CB 4.05Å; H95-V98 HydrophobicContact CB-CG2 4.19Å; H95-V98 WeakPolarHBondContact O-CB 3.26Å; H95-V98 PolarHBondContact O-N 3.15Å; H95-V99 PolarHBondContact O-N 2.9Å
96L98.7Very high98.5Very high43 Ų4331.6 Ų31.623%0.22518%0.18CC..Hα-helixtrans-51.5-44-178.4179.164.4000114.3G94 V98 V99 K100 E130 I131 Y134G94-L96 PolarHBondContact O-N 2.85Å; L96-V98 VanDerWaalsContact C-N 3.31Å; L96-V98 PolarHBondContact O-N 3.38Å; L96-V99 WeakPolarHBondContact O-CB 3.33Å; L96-V99 PolarHBondContact O-N 3.23Å; L96-K100 HydrophobicContact CD1-CG 4.25Å; L96-K100 HydrophobicContact CG-CD 4.46Å; L96-K100 HydrophobicContact CG-CG 4.49Å; L96-K100 WeakPolarHBondContact O-CG 3.35Å; L96-K100 PolarHBondContact O-N 3.11Å; L96-E130 HydrophobicContact CD2-CB 4.16Å; L96-I131 HydrophobicContact CB-CD1 4.36Å; L96-I131 HydrophobicContact CB-CG1 3.89Å; L96-I131 HydrophobicContact CD1-CG1 3.88Å; L96-I131 HydrophobicContact CG-CG1 4.47Å; L96-Y134 HydrophobicContact CD1-CG 4.26Å
97P98.8Very high98.5Very high73 Ų7332 Ų3247%0.47418%0.183SC..Hα-helixtrans-59.2-41.7177.9-24.635.4000112.8L54 H95 K100 T101L54-P97 HydrophobicContact CD1-CB 4.35Å; L54-P97 HydrophobicContact CD2-CB 3.92Å; H95-P97 VanDerWaalsContact C-CD 3.49Å; P97-K100 WeakPolarHBondContact O-CB 3.31Å; P97-K100 PolarHBondContact O-N 3.44Å; P97-T101 PolarHBondContact O-N 2.98Å; P97-T101 PolarHBondContact O-OG1 3.12Å
98V98.8Very high98.4Very high1 Ų134.7 Ų34.71%0.00620%0.202CC..Hα-helixtrans-66.3-42.6176.8173.70000111L54 V57 A90 H95 L96 K100 T101 L102L54-V98 HydrophobicContact CB-CG2 4.34Å; L54-V98 HydrophobicContact CD1-CG2 4.4Å; V57-V98 HydrophobicContact CG1-CG1 4.37Å; V57-V98 HydrophobicContact CG2-CG1 4.14Å; V57-V98 HydrophobicContact CG2-CG2 4.47Å; A90-V98 HydrophobicContact CB-CB 4.14Å; A90-V98 HydrophobicContact CB-CG1 3.59Å; H95-V98 HydrophobicContact CB-CB 4.05Å; H95-V98 HydrophobicContact CB-CG2 4.19Å; H95-V98 WeakPolarHBondContact O-CB 3.26Å; H95-V98 PolarHBondContact O-N 3.15Å; L96-V98 VanDerWaalsContact C-N 3.31Å; L96-V98 PolarHBondContact O-N 3.38Å; V98-K100 VanDerWaalsContact C-N 3.28Å; V98-K100 PolarHBondContact O-N 3.34Å; V98-T101 PolarHBondContact O-N 3.12Å; V98-L102 HydrophobicContact CG1-CD1 3.68Å; V98-L102 HydrophobicContact CG1-CG 4.16Å; V98-L102 WeakPolarHBondContact O-CB 3.38Å; V98-L102 VanDerWaalsContact O-CG 3.29Å; V98-L102 WeakPolarHBondContact O-CG 3.29Å; V98-L102 PolarHBondContact O-N 3.03Å
99V98.9Very high98.4Very high0 Ų034.9 Ų34.90%021%0.205CC..Hα-helixtrans-55.9-44.4174.3168.70000111.2L87 A90 H95 L96 L102 L103 I131 Y134 L135L87-V99 HydrophobicContact CD1-CB 4.34Å; L87-V99 HydrophobicContact CD1-CG1 3.91Å; L87-V99 HydrophobicContact CD1-CG2 4.37Å; A90-V99 HydrophobicContact CB-CG2 3.92Å; H95-V99 PolarHBondContact O-N 2.9Å; L96-V99 WeakPolarHBondContact O-CB 3.33Å; L96-V99 PolarHBondContact O-N 3.23Å; V99-L102 PolarHBondContact O-N 3.01Å; V99-L103 HydrophobicContact CG1-CD1 4.26Å; V99-L103 PolarHBondContact O-N 3.36Å; V99-L103 VanDerWaalsContact O-N 3.12Å; V99-I131 HydrophobicContact CG1-CG2 4.36Å; V99-I131 HydrophobicContact CG2-CD1 4.24Å; V99-I131 HydrophobicContact CG2-CG2 4.23Å; V99-Y134 HydrophobicContact CG1-CD1 4.14Å; V99-L135 HydrophobicContact CG1-CD2 4Å
100K98.8Very high98.4Very high92 Ų9237.5 Ų37.540%0.422%0.219SC..Hα-helixtrans-62.1-47.2177.3-67.6-175.4175-178.70111.8L96 P97 V98 K104 Y134L96-K100 HydrophobicContact CD1-CG 4.25Å; L96-K100 HydrophobicContact CG-CD 4.46Å; L96-K100 HydrophobicContact CG-CG 4.49Å; L96-K100 WeakPolarHBondContact O-CG 3.35Å; L96-K100 PolarHBondContact O-N 3.11Å; P97-K100 WeakPolarHBondContact O-CB 3.31Å; P97-K100 PolarHBondContact O-N 3.44Å; V98-K100 VanDerWaalsContact C-N 3.28Å; V98-K100 PolarHBondContact O-N 3.34Å; K100-K104 WeakPolarHBondContact O-CB 3.41Å; K100-K104 PolarHBondContact O-N 3.18Å; K100-Y134 HydrophobicContact CB-CE1 4.37Å; K100-Y134 HydrophobicContact CD-CE2 4.12Å; K100-Y134 HydrophobicContact CG-CD1 4.31Å; K100-Y134 HydrophobicContact CG-CD2 4.35Å; K100-Y134 HydrophobicContact CG-CE1 3.8Å; K100-Y134 HydrophobicContact CG-CE2 3.83Å
101T98.6Very high98.4Very high18 Ų1840 Ų4011%0.1123%0.233CC..Hα-helixtrans-59.1-50.2176.7-730000111.4L54 V57 D58 L61 P97 V98 L103 K104 H105L54-T101 WeakPolarHBondContact CD1-OG1 3.27Å; V57-T101 HydrophobicContact CG1-CG2 3.95Å; D58-T101 WeakPolarHBondContact OD1-CG2 3.39Å; D58-T101 PolarHBondContact OD1-OG1 3.37Å; L61-T101 HydrophobicContact CD1-CG2 3.73Å; P97-T101 PolarHBondContact O-N 2.98Å; P97-T101 PolarHBondContact O-OG1 3.12Å; V98-T101 PolarHBondContact O-N 3.12Å; T101-L103 PolarHBondContact O-N 3.1Å; T101-K104 WeakPolarHBondContact O-CB 3.49Å; T101-K104 PolarHBondContact O-N 3.46Å; T101-K104 VanDerWaalsContact O-N 3.12Å; T101-H105 PolarHBondContact O-CD2 3.37Å; T101-H105 VanDerWaalsContact O-CD2 3.28Å; T101-H105 PolarHBondContact O-N 3.4Å
102L98.6Very high98.3Very high0 Ų040.9 Ų40.90%024%0.239CC..Hα-helixtrans-60-44.5-177.3-69.9168.3000111.8L45 V57 L61 V68 P86 L87 A90 V98 V99 H105 G106 A107L45-L102 HydrophobicContact CD1-CD2 4.39Å; V57-L102 HydrophobicContact CG1-CD2 4.16Å; V57-L102 HydrophobicContact CG1-CG 4.46Å; L61-L102 HydrophobicContact CD1-CD2 4.13Å; V68-L102 HydrophobicContact CG2-CB 4.46Å; V68-L102 HydrophobicContact CG2-CD2 3.66Å; P86-L102 HydrophobicContact CB-CD1 4.06Å; P86-L102 HydrophobicContact CB-CD2 3.97Å; L87-L102 HydrophobicContact CB-CD1 4.32Å; L87-L102 HydrophobicContact CD1-CB 4.2Å; L87-L102 HydrophobicContact CD1-CD1 4.48Å; A90-L102 HydrophobicContact CB-CD1 4.08Å; V98-L102 HydrophobicContact CG1-CD1 3.68Å; V98-L102 HydrophobicContact CG1-CG 4.16Å; V98-L102 WeakPolarHBondContact O-CB 3.38Å; V98-L102 VanDerWaalsContact O-CG 3.29Å; V98-L102 WeakPolarHBondContact O-CG 3.29Å; V98-L102 PolarHBondContact O-N 3.03Å; V99-L102 PolarHBondContact O-N 3.01Å; L102-H105 CarbonylContact O-C 3.57Å; L102-H105 PolarHBondContact O-N 2.87Å; L102-G106 PolarHBondContact O-N 3.36Å; L102-A107 HydrophobicContact CB-CB 4.1Å; L102-A107 WeakPolarHBondContact O-CB 3.39Å; L102-A107 PolarHBondContact O-N 3.45Å
103L98.4Very high98.3Very high25 Ų2541.1 Ų41.113%0.13124%0.241CC..Hα-helixtrans-65.2-38.3175.6-74.9174.9000112.7L87 V99 T101 H105 G106 A107 V109 Y134 L135 H138L87-L103 HydrophobicContact CD1-CD2 4.47Å; L87-L103 HydrophobicContact CD1-CG 4.1Å; L87-L103 HydrophobicContact CD2-CD2 3.74Å; L87-L103 HydrophobicContact CD2-CG 4.27Å; V99-L103 HydrophobicContact CG1-CD1 4.26Å; V99-L103 PolarHBondContact O-N 3.36Å; V99-L103 VanDerWaalsContact O-N 3.12Å; T101-L103 PolarHBondContact O-N 3.1Å; L103-H105 PolarHBondContact O-N 3.32Å; L103-G106 PolarHBondContact O-N 3.42Å; L103-A107 HydrophobicContact CD2-CB 4.45Å; L103-A107 WeakPolarHBondContact CD2-O 3.42Å; L103-V109 HydrophobicContact CD2-CB 4.03Å; L103-V109 HydrophobicContact CD2-CG2 4.25Å; L103-Y134 HydrophobicContact CD1-CD1 3.85Å; L103-Y134 HydrophobicContact CD1-CE1 3.55Å; L103-L135 HydrophobicContact CD1-CD2 3.98Å; L103-H138 HydrophobicContact CD1-CB 4.05Å
104K98Very high98.2Very high167 Ų16746.5 Ų46.573%0.72627%0.266SS*.Hα-helixtrans-60.7-33.5173.6-177.4-171172.6-160.40111.8K100 T101 G106K100-K104 WeakPolarHBondContact O-CB 3.41Å; K100-K104 PolarHBondContact O-N 3.18Å; T101-K104 WeakPolarHBondContact O-CB 3.49Å; T101-K104 PolarHBondContact O-N 3.46Å; T101-K104 VanDerWaalsContact O-N 3.12Å; K104-G106 VanDerWaalsContact C-N 3.26Å; K104-G106 PolarHBondContact O-N 3.25Å
105H97.8Very high98.1Very high66 Ų6647.8 Ų47.831%0.30627%0.268SS..THydrogen-bonded Turntrans-87.616.8175.7-76.3-81.4000114L61 T101 L102 L103L61-H105 HydrophobicContact CD1-CB 4.05Å; L61-H105 HydrophobicContact CD2-CB 4.41Å; T101-H105 PolarHBondContact O-CD2 3.37Å; T101-H105 VanDerWaalsContact O-CD2 3.28Å; T101-H105 PolarHBondContact O-N 3.4Å; L102-H105 CarbonylContact O-C 3.57Å; L102-H105 PolarHBondContact O-N 2.87Å; L103-H105 PolarHBondContact O-N 3.32Å
106G96.8Very high98Very high58 Ų5849.1 Ų49.160%0.59828%0.276SS*.THydrogen-bonded Turntrans86.715.5169.600000115.2L102 L103 K104 S108L102-G106 PolarHBondContact O-N 3.36Å; L103-G106 PolarHBondContact O-N 3.42Å; K104-G106 VanDerWaalsContact C-N 3.26Å; K104-G106 PolarHBondContact O-N 3.25Å; G106-S108 PolarHBondContact O-N 2.87Å
107A98.2Very high98Very high9 Ų947.2 Ų47.27%0.07427%0.267CS..  trans-56.3133.617300000111.4V68 E69 L87 L102 L103 V109V68-A107 HydrophobicContact CG1-CB 4.31Å; V68-A107 HydrophobicContact CG2-CB 3.74Å; E69-A107 VanDerWaalsContact OE1-CA 3.23Å; E69-A107 WeakPolarHBondContact OE1-CA 3.4Å; L87-A107 HydrophobicContact CB-CB 4.23Å; L87-A107 HydrophobicContact CD2-CB 4.01Å; L102-A107 HydrophobicContact CB-CB 4.1Å; L102-A107 WeakPolarHBondContact O-CB 3.39Å; L102-A107 PolarHBondContact O-N 3.45Å; L103-A107 HydrophobicContact CD2-CB 4.45Å; L103-A107 WeakPolarHBondContact CD2-O 3.42Å; A107-V109 PolarHBondContact O-N 3.22Å
108S98.4Very high98Very high59 Ų5943.8 Ų43.841%0.41325%0.245SC..  trans-71.5112.9174.2175.70000109.6E69 G106 N110 N111E69-S108 PolarHBondContact OE1-N 3.19Å; G106-S108 PolarHBondContact O-N 2.87Å; S108-N110 PolarHBondContact O-N 3.41Å; S108-N111 PolarHBondContact O-N 2.95Å; S108-N111 VanDerWaalsContact O-N 3.08Å
109V98.4Very high98Very high18 Ų1843.7 Ų43.711%0.10924%0.244CC..THydrogen-bonded Turntrans-57.8-24.3-175.971.70000113.8L103 A107 P119 L135 A140L103-V109 HydrophobicContact CD2-CB 4.03Å; L103-V109 HydrophobicContact CD2-CG2 4.25Å; A107-V109 PolarHBondContact O-N 3.22Å; V109-P119 WeakPolarHBondContact O-CD 3.3Å; V109-P119 WeakPolarHBondContact O-CG 3.42Å; V109-L135 HydrophobicContact CG2-CB 4.46Å; V109-L135 HydrophobicContact CG2-CD2 3.94Å; V109-A140 HydrophobicContact CG2-CB 3.66Å
110N98.2Very high98Very high54 Ų5443.7 Ų43.729%0.28924%0.244SC..THydrogen-bonded Turntrans-108.44.6-177.5-65.2-40.4000113.5S108 A112 A140 D141S108-N110 PolarHBondContact O-N 3.41Å; N110-A112 PolarHBondContact O-N 3.03Å; N110-A140 WeakPolarHBondContact OD1-CA 3.29Å; N110-D141 PolarHBondContact OD1-N 3.27Å
111N97.9Very high98Very high54 Ų5440.8 Ų40.829%0.28923%0.231SC..  trans-65.9125.6177.1-171.214.3000110.4E69 P85 S108 P119E69-N111 WeakPolarHBondContact OE2-CB 3.44Å; E69-N111 PolarHBondContact OE2-ND2 3.08Å; P85-N111 HydrophobicContact CG-CB 4.3Å; S108-N111 PolarHBondContact O-N 2.95Å; S108-N111 VanDerWaalsContact O-N 3.08Å; N111-P119 VanDerWaalsContact O-CD 3.31Å; N111-P119 WeakPolarHBondContact O-CD 3.39Å
112A97.7Very high98Very high17 Ų1740 Ų4014%0.1423%0.226CC..  trans-115.1163.6-163.600000112.3N110 S117 T118N110-A112 PolarHBondContact O-N 3.03Å; A112-S117 VanDerWaalsContact CA-O 3.27Å; A112-S117 WeakPolarHBondContact CA-O 3.4Å; A112-S117 WeakPolarHBondContact CB-O 3.29Å; A112-T118 HydrophobicContact CB-CG2 4.42Å
113T98.2Very high98Very high8 Ų840 Ų405%0.04923%0.226CC..  trans-67.9175.1170.3660000111.9I81 A84 W88 T115 N116 S117I81-T113 HydrophobicContact CG2-CG2 3.88Å; A84-T113 HydrophobicContact CB-CG2 4.11Å; W88-T113 HydrophobicContact CD2-CG2 3.63Å; W88-T113 VanDerWaalsContact CE2-CG2 3.46Å; W88-T113 HydrophobicContact CE3-CG2 4.24Å; W88-T113 HydrophobicContact CG-CG2 3.88Å; W88-T113 HydrophobicContact CZ2-CG2 4.03Å; T113-T115 PolarHBondContact O-N 2.95Å; T113-T115 PolarHBondContact OG1-N 2.87Å; T113-T115 PolarHBondContact OG1-OG1 3.04Å; T113-N116 WeakPolarHBondContact O-CA 3.41Å; T113-N116 PolarHBondContact O-N 3.29Å; T113-S117 PolarHBondContact N-O 3.44Å; T113-S117 VanDerWaalsContact N-O 3.07Å; T113-S117 VanDerWaalsContact OG1-CB 3.3Å; T113-S117 WeakPolarHBondContact OG1-CB 3.39Å; T113-S117 PolarHBondContact OG1-N 2.78Å
114L96.5Very high98Very high137 Ų13738.9 Ų38.972%0.71722%0.22SC*.THydrogen-bonded Turntrans-60.3-17.9172.3-63.9-174.5000114.1E82 N116E82-L114 HydrophobicContact CB-CD1 3.74Å; E82-L114 HydrophobicContact CB-CG 4.37Å; E82-L114 PolarHBondContact O-N 2.7Å; L114-N116 VanDerWaalsContact C-N 3.28Å
115T95.2Very high98Very high55 Ų5534.1 Ų34.134%0.33720%0.2SC..THydrogen-bonded Turntrans-90.810.4173.759.60000113T113 S117 N146 R147T113-T115 PolarHBondContact O-N 2.95Å; T113-T115 PolarHBondContact OG1-N 2.87Å; T113-T115 PolarHBondContact OG1-OG1 3.04Å; T115-S117 PolarHBondContact O-N 3.06Å; T115-N146 CarbonylContact O-C 3.56Å; T115-N146 WeakPolarHBondContact O-CA 3.49Å; T115-N146 WeakPolarHBondContact O-CB 3.41Å; T115-R147 PolarHBondContact O-N 3.07Å
116N97.9Very high98Very high77 Ų7733.8 Ų33.841%0.41220%0.2SC..  trans58.731-173.3-154.147.4000113.1T113 L114 A145 N146T113-N116 WeakPolarHBondContact O-CA 3.41Å; T113-N116 PolarHBondContact O-N 3.29Å; L114-N116 VanDerWaalsContact C-N 3.28Å; N116-A145 PolarHBondContact ND2-O 2.75Å; N116-N146 WeakPolarHBondContact O-CA 3.43Å
117S98.3Very high98.1Very high4 Ų432.2 Ų32.23%0.02818%0.184CC..  trans-84117.6174.9-168.60000109.5W88 A112 T113 T115 R121W88-S117 PolarHBondContact NE1-O 3.32Å; W88-S117 PolarHBondContact NE1-OG 3.12Å; A112-S117 VanDerWaalsContact CA-O 3.27Å; A112-S117 WeakPolarHBondContact CA-O 3.4Å; A112-S117 WeakPolarHBondContact CB-O 3.29Å; T113-S117 PolarHBondContact N-O 3.44Å; T113-S117 VanDerWaalsContact N-O 3.07Å; T113-S117 VanDerWaalsContact OG1-CB 3.3Å; T113-S117 WeakPolarHBondContact OG1-CB 3.39Å; T113-S117 PolarHBondContact OG1-N 2.78Å; T115-S117 PolarHBondContact O-N 3.06Å; S117-R121 PolarHBondContact OG-NH1 3.37Å
118T98.6Very high98.1Very high0 Ų034.4 Ų34.40%019%0.193CC..  trans-78.716217860.90000112.2W88 A112 L120 R121 A122 V144W88-T118 VanDerWaalsContact CD1-C 3.43Å; W88-T118 PolarHBondContact NE1-O 2.78Å; A112-T118 HydrophobicContact CB-CG2 4.42Å; T118-L120 PolarHBondContact O-N 3.38Å; T118-R121 PolarHBondContact O-N 3.48Å; T118-R121 VanDerWaalsContact O-N 3.14Å; T118-R121 WeakPolarHBondContact OG1-CB 3.36Å; T118-R121 PolarHBondContact OG1-N 3.42Å; T118-R121 VanDerWaalsContact OG1-N 3.14Å; T118-A122 PolarHBondContact O-N 3.22Å; T118-V144 HydrophobicContact CG2-CB 3.86Å; T118-V144 HydrophobicContact CG2-CG1 3.42Å; T118-V144 VanDerWaalsContact CG2-CG1 3.42Å
119P98.8Very high98.1Very high0 Ų033.1 Ų33.10%018%0.181CC..Hα-helixtrans-57.5-36.6172.6-24.635.1000112.3L87 W88 S91 V109 N111 A122 A123 L135L87-P119 HydrophobicContact CB-CG 4.45Å; L87-P119 HydrophobicContact CD2-CB 4.34Å; L87-P119 HydrophobicContact CD2-CG 3.98Å; L87-P119 HydrophobicContact CG-CB 4Å; L87-P119 HydrophobicContact CG-CG 3.91Å; W88-P119 HydrophobicContact CB-CG 4.23Å; S91-P119 WeakPolarHBondContact CB-O 3.44Å; V109-P119 WeakPolarHBondContact O-CD 3.3Å; V109-P119 WeakPolarHBondContact O-CG 3.42Å; N111-P119 VanDerWaalsContact O-CD 3.31Å; N111-P119 WeakPolarHBondContact O-CD 3.39Å; P119-A122 WeakPolarHBondContact O-CB 3.34Å; P119-A122 PolarHBondContact O-N 3.31Å; P119-A123 PolarHBondContact O-N 3.41Å; P119-L135 HydrophobicContact CB-CD1 4.15Å
120L98.9Very high98.1Very high0 Ų037.4 Ų37.40%020%0.2CC..Hα-helixtrans-61.2-48.1174.217963.3000111.3T118 A122 A123 C124 V132 L135 V136 A140 M142 C152T118-L120 PolarHBondContact O-N 3.38Å; L120-A122 PolarHBondContact O-N 2.92Å; L120-A123 PolarHBondContact O-N 2.95Å; L120-C124 WeakPolarHBondContact O-CB 3.32Å; L120-C124 PolarHBondContact O-N 3.39Å; L120-C124 PolarHBondContact O-SG 3.3Å; L120-C124 VanDerWaalsContact O-SG 3.33Å; L120-V132 HydrophobicContact CD1-CB 4.28Å; L120-V132 HydrophobicContact CD1-CG1 3.89Å; L120-V132 HydrophobicContact CD1-CG2 4.32Å; L120-L135 HydrophobicContact CB-CD1 4.26Å; L120-L135 HydrophobicContact CD1-CB 4.23Å; L120-L135 HydrophobicContact CD1-CD1 4.47Å; L120-V136 HydrophobicContact CD1-CG2 3.81Å; L120-V136 HydrophobicContact CD2-CG2 4.03Å; L120-A140 HydrophobicContact CB-CB 4.12Å; L120-A140 HydrophobicContact CD2-CB 3.92Å; L120-A140 HydrophobicContact CG-CB 4.46Å; L120-M142 HydrophobicContact CD2-CB 4.38Å; L120-M142 HydrophobicContact CD2-CG 3.9Å; L120-C152 HydrophobicContact CG-CB 4.48Å
121R98.7Very high98.2Very high30 Ų3035 Ų3511%0.11319%0.187CC..Hα-helixtrans-60.6-37.1177-167.7-172.5170.4-69.9-5.6111.7S117 T118 C124 F125 I155S117-R121 PolarHBondContact OG-NH1 3.37Å; T118-R121 PolarHBondContact O-N 3.48Å; T118-R121 VanDerWaalsContact O-N 3.14Å; T118-R121 WeakPolarHBondContact OG1-CB 3.36Å; T118-R121 PolarHBondContact OG1-N 3.42Å; T118-R121 VanDerWaalsContact OG1-N 3.14Å; R121-C124 PolarHBondContact O-N 3.09Å; R121-F125 PolarHBondContact O-N 2.85Å; R121-I155 HydrophobicContact CG-CG2 4.08Å
122A98.4Very high98.2Very high3 Ų332.4 Ų32.43%0.02517%0.173CC..Hα-helixtrans-65.2-47.2176.900000112.2W88 A92 T118 P119 L120 C124 F125 D126W88-A122 HydrophobicContact CD2-CB 4.23Å; W88-A122 HydrophobicContact CG-CB 4.48Å; W88-A122 HydrophobicContact CZ2-CB 3.83Å; A92-A122 HydrophobicContact CB-CB 3.88Å; T118-A122 PolarHBondContact O-N 3.22Å; P119-A122 WeakPolarHBondContact O-CB 3.34Å; P119-A122 PolarHBondContact O-N 3.31Å; L120-A122 PolarHBondContact O-N 2.92Å; A122-C124 VanDerWaalsContact C-N 3.3Å; A122-C124 PolarHBondContact O-N 3.06Å; A122-F125 WeakPolarHBondContact O-CB 3.48Å; A122-F125 PolarHBondContact O-N 3.2Å; A122-F125 VanDerWaalsContact O-N 3.08Å; A122-D126 PolarHBondContact O-N 3.08Å
123A98.8Very high98.3Very high0 Ų035.3 Ų35.30%018%0.181CC..Hα-helixtrans-61.5-37.8174.500000112.3P119 L120 F125 G127 H128 I131 V132 L135P119-A123 PolarHBondContact O-N 3.41Å; L120-A123 PolarHBondContact O-N 2.95Å; A123-F125 VanDerWaalsContact C-N 3.33Å; A123-F125 PolarHBondContact O-N 2.96Å; A123-G127 PolarHBondContact O-N 3.25Å; A123-G127 VanDerWaalsContact O-N 3.07Å; A123-H128 HydrophobicContact CB-CB 4.35Å; A123-H128 PolarHBondContact O-N 3.12Å; A123-I131 HydrophobicContact CB-CB 4.08Å; A123-I131 HydrophobicContact CB-CG2 3.64Å; A123-V132 HydrophobicContact CB-CG2 3.75Å; A123-L135 HydrophobicContact CB-CD1 4.33Å
124C98.8Very high98.3Very high0 Ų037.1 Ų37.10%019%0.187CC..Hα-helixtrans-65.5-31.2173.1-72.80000113.2L120 R121 A122 I155 S156 H161 I164L120-C124 WeakPolarHBondContact O-CB 3.32Å; L120-C124 PolarHBondContact O-N 3.39Å; L120-C124 PolarHBondContact O-SG 3.3Å; L120-C124 VanDerWaalsContact O-SG 3.33Å; R121-C124 PolarHBondContact O-N 3.09Å; A122-C124 VanDerWaalsContact C-N 3.3Å; A122-C124 PolarHBondContact O-N 3.06Å; C124-I155 HydrophobicContact CB-CG2 3.88Å; C124-S156 WeakPolarHBondContact CB-OG 3.37Å; C124-H161 PolarHBondContact O-CD2 3.3Å; C124-I164 HydrophobicContact CB-CG2 4.38Å
125F98.2Very high98.4Very high68 Ų6830.6 Ų30.630%0.29815%0.153SC..Hα-helixtrans-68.7-45.3-180-178.5-87.9000111.7R121 A122 A123 I155 K159 H161R121-F125 PolarHBondContact O-N 2.85Å; A122-F125 WeakPolarHBondContact O-CB 3.48Å; A122-F125 PolarHBondContact O-N 3.2Å; A122-F125 VanDerWaalsContact O-N 3.08Å; A123-F125 VanDerWaalsContact C-N 3.33Å; A123-F125 PolarHBondContact O-N 2.96Å; F125-I155 HydrophobicContact CB-CG1 4.16Å; F125-I155 HydrophobicContact CD2-CD1 3.65Å; F125-I155 HydrophobicContact CD2-CG1 3.65Å; F125-I155 HydrophobicContact CE2-CD1 4.12Å; F125-I155 HydrophobicContact CG-CG1 4.34Å; F125-K159 VanDerWaalsContact CE1-NZ 3.31Å; F125-K159 WeakPolarHBondContact O-CE 3.34Å; F125-K159 WeakPolarHBondContact O-CG 3.36Å; F125-H161 PolarHBondContact O-NE2 3.38Å
126D97.3Very high98.5Very high58 Ų5828.9 Ų28.931%0.3114%0.142SC..Hα-helixtrans-94.1-2.8-176.5-73.6-32.7000114.6A122 H128A122-D126 PolarHBondContact O-N 3.08Å; D126-H128 VanDerWaalsContact CB-NE2 3.33Å; D126-H128 WeakPolarHBondContact CB-NE2 3.33Å
127G98.2Very high98.5Very high26 Ų2630.5 Ų30.527%0.26815%0.147SC..THydrogen-bonded Turntrans89.520.617100000114.9A123 L129 H161 I164A123-G127 PolarHBondContact O-N 3.25Å; A123-G127 VanDerWaalsContact O-N 3.07Å; G127-L129 VanDerWaalsContact C-N 3.32Å; G127-L129 PolarHBondContact O-N 3.42Å; G127-H161 WeakPolarHBondContact CA-NE2 3.47Å; G127-H161 PolarHBondContact N-NE2 3Å; G127-I164 VanDerWaalsContact CA-CD1 3.5Å
128H98.7Very high98.5Very high55 Ų5534 Ų3426%0.25516%0.163SC..  trans-81.573-176.2-57.2-50000112.2S91 A92 G94 A123 D126 E130 I131 V132S91-H128 PolarHBondContact O-CD2 2.84Å; S91-H128 VanDerWaalsContact O-CD2 3.23Å; A92-H128 PolarHBondContact O-CD2 3.38Å; A92-H128 PolarHBondContact O-NE2 3.23Å; G94-H128 VanDerWaalsContact CA-CD2 3.49Å; G94-H128 WeakPolarHBondContact CA-CD2 3.3Å; G94-H128 WeakPolarHBondContact CA-NE2 3.49Å; G94-H128 PolarHBondContact N-NE2 3.44Å; A123-H128 HydrophobicContact CB-CB 4.35Å; A123-H128 PolarHBondContact O-N 3.12Å; D126-H128 VanDerWaalsContact CB-NE2 3.33Å; D126-H128 WeakPolarHBondContact CB-NE2 3.33Å; H128-E130 VanDerWaalsContact C-N 3.32Å; H128-E130 PolarHBondContact O-N 3.39Å; H128-I131 HydrophobicContact CB-CB 4.05Å; H128-I131 HydrophobicContact CB-CD1 3.94Å; H128-I131 HydrophobicContact CB-CG1 4.19Å; H128-I131 WeakPolarHBondContact O-CB 2.98Å; H128-I131 PolarHBondContact O-N 2.97Å; H128-V132 PolarHBondContact O-N 3.41Å
129L98.7Very high98.5Very high32 Ų3244.4 Ų44.417%0.16820%0.202CC..Hα-helixtrans-53.9-41.7-172.6178.558.4000114.2G127 I131 V132 R133 E163 I164 F167G127-L129 VanDerWaalsContact C-N 3.32Å; G127-L129 PolarHBondContact O-N 3.42Å; L129-I131 VanDerWaalsContact C-N 3.32Å; L129-I131 PolarHBondContact O-N 3.05Å; L129-V132 WeakPolarHBondContact O-CB 3.45Å; L129-V132 PolarHBondContact O-N 2.9Å; L129-R133 VanDerWaalsContact CG-NH2 3.29Å; L129-R133 WeakPolarHBondContact O-CG 3.44Å; L129-R133 PolarHBondContact O-N 3.49Å; L129-E163 HydrophobicContact CD2-CB 3.67Å; L129-I164 HydrophobicContact CB-CD1 4.44Å; L129-I164 HydrophobicContact CB-CG1 4Å; L129-I164 HydrophobicContact CD1-CB 4.45Å; L129-I164 HydrophobicContact CD1-CG1 3.67Å; L129-I164 HydrophobicContact CG-CG1 4.39Å; L129-F167 HydrophobicContact CD1-CB 4.37Å
130E98.8Very high98.4Very high107 Ų10744.8 Ų44.850%0.521%0.206SC..Hα-helixtrans-69-31.1-179.9-62-53.2122.300112.5L96 H128 R133 Y134L96-E130 HydrophobicContact CD2-CB 4.16Å; H128-E130 VanDerWaalsContact C-N 3.32Å; H128-E130 PolarHBondContact O-N 3.39Å; E130-R133 IonicContact OE1-CZ 3.7Å; E130-R133 IonicContact OE1-NE 3.82Å; E130-R133 PolarHBondContact OE1-NE 3.18Å; E130-R133 IonicContact OE1-NH2 2.98Å; E130-R133 PolarHBondContact OE1-NH2 3.12Å; E130-R133 IonicContact OE2-NE 2.63Å; E130-Y134 WeakPolarHBondContact O-CB 3.41Å; E130-Y134 PolarHBondContact O-N 2.99Å; E130-Y134 VanDerWaalsContact O-N 3.11Å
131I98.9Very high98.4Very high4 Ų448.3 Ų48.32%0.02122%0.224CC..Hα-helixtrans-70.3-43.7171.1-64.7178.3000109.9G94 L96 V99 A123 H128 L129 R133 Y134 L135G94-I131 VanDerWaalsContact C-CD1 3.46Å; L96-I131 HydrophobicContact CB-CD1 4.36Å; L96-I131 HydrophobicContact CB-CG1 3.89Å; L96-I131 HydrophobicContact CD1-CG1 3.88Å; L96-I131 HydrophobicContact CG-CG1 4.47Å; V99-I131 HydrophobicContact CG1-CG2 4.36Å; V99-I131 HydrophobicContact CG2-CD1 4.24Å; V99-I131 HydrophobicContact CG2-CG2 4.23Å; A123-I131 HydrophobicContact CB-CB 4.08Å; A123-I131 HydrophobicContact CB-CG2 3.64Å; H128-I131 HydrophobicContact CB-CB 4.05Å; H128-I131 HydrophobicContact CB-CD1 3.94Å; H128-I131 HydrophobicContact CB-CG1 4.19Å; H128-I131 WeakPolarHBondContact O-CB 2.98Å; H128-I131 PolarHBondContact O-N 2.97Å; L129-I131 VanDerWaalsContact C-N 3.32Å; L129-I131 PolarHBondContact O-N 3.05Å; I131-R133 VanDerWaalsContact C-N 3.33Å; I131-R133 PolarHBondContact O-N 3.22Å; I131-Y134 PolarHBondContact O-N 3.29Å; I131-L135 HydrophobicContact CG2-CD1 3.66Å; I131-L135 HydrophobicContact CG2-CG 3.98Å; I131-L135 WeakPolarHBondContact O-CB 3.24Å; I131-L135 VanDerWaalsContact O-CG 3.27Å; I131-L135 WeakPolarHBondContact O-CG 3.47Å; I131-L135 PolarHBondContact O-N 3.18Å
132V98.9Very high98.3Very high0 Ų048.1 Ų48.10%023%0.225CC..Hα-helixtrans-54.7-49.3175.3169.10000110.9L120 A123 H128 L129 Y134 L135 V136 I164 F167 L168L120-V132 HydrophobicContact CD1-CB 4.28Å; L120-V132 HydrophobicContact CD1-CG1 3.89Å; L120-V132 HydrophobicContact CD1-CG2 4.32Å; A123-V132 HydrophobicContact CB-CG2 3.75Å; H128-V132 PolarHBondContact O-N 3.41Å; L129-V132 WeakPolarHBondContact O-CB 3.45Å; L129-V132 PolarHBondContact O-N 2.9Å; V132-Y134 PolarHBondContact O-N 3.46Å; V132-L135 PolarHBondContact O-N 3.49Å; V132-V136 WeakPolarHBondContact O-CG2 3.32Å; V132-V136 PolarHBondContact O-N 2.86Å; V132-I164 HydrophobicContact CG1-CG2 4.24Å; V132-I164 HydrophobicContact CG2-CD1 4.14Å; V132-I164 HydrophobicContact CG2-CG1 4.48Å; V132-I164 HydrophobicContact CG2-CG2 4.23Å; V132-F167 HydrophobicContact CG1-CD1 3.79Å; V132-F167 HydrophobicContact CG1-CE1 3.93Å; V132-L168 HydrophobicContact CG1-CD2 4.35Å
133R98.8Very high98.3Very high77 Ų7750.3 Ų50.329%0.29124%0.235SC..Hα-helixtrans-58.3-49.8177.4-68.1-171.9-134.5-81.59.2111.6L129 E130 I131 L135 V136 E137 F167L129-R133 VanDerWaalsContact CG-NH2 3.29Å; L129-R133 WeakPolarHBondContact O-CG 3.44Å; L129-R133 PolarHBondContact O-N 3.49Å; E130-R133 IonicContact OE1-CZ 3.7Å; E130-R133 IonicContact OE1-NE 3.82Å; E130-R133 PolarHBondContact OE1-NE 3.18Å; E130-R133 IonicContact OE1-NH2 2.98Å; E130-R133 PolarHBondContact OE1-NH2 3.12Å; E130-R133 IonicContact OE2-NE 2.63Å; I131-R133 VanDerWaalsContact C-N 3.33Å; I131-R133 PolarHBondContact O-N 3.22Å; R133-L135 PolarHBondContact O-N 3.45Å; R133-V136 PolarHBondContact O-N 3.02Å; R133-E137 WeakPolarHBondContact O-CB 3.42Å; R133-E137 VanDerWaalsContact O-CG 3.32Å; R133-E137 WeakPolarHBondContact O-CG 3.46Å; R133-E137 PolarHBondContact O-N 3.25Å; R133-F167 HydrophobicContact CB-CE2 4.42Å; R133-F167 HydrophobicContact CB-CZ 4.1Å; R133-F167 HydrophobicContact CG-CD2 4.12Å; R133-F167 HydrophobicContact CG-CE1 4.25Å; R133-F167 HydrophobicContact CG-CE2 3.74Å; R133-F167 HydrophobicContact CG-CZ 3.81Å
134Y98.8Very high98.2Very high46 Ų4652.1 Ų52.118%0.1825%0.245CC..Hα-helixtrans-60.7-46.6-177.5-167.7-95.1000111.7L96 V99 K100 L103 E130 I131 V132 V136 E137 H138L96-Y134 HydrophobicContact CD1-CG 4.26Å; V99-Y134 HydrophobicContact CG1-CD1 4.14Å; K100-Y134 HydrophobicContact CB-CE1 4.37Å; K100-Y134 HydrophobicContact CD-CE2 4.12Å; K100-Y134 HydrophobicContact CG-CD1 4.31Å; K100-Y134 HydrophobicContact CG-CD2 4.35Å; K100-Y134 HydrophobicContact CG-CE1 3.8Å; K100-Y134 HydrophobicContact CG-CE2 3.83Å; L103-Y134 HydrophobicContact CD1-CD1 3.85Å; L103-Y134 HydrophobicContact CD1-CE1 3.55Å; E130-Y134 WeakPolarHBondContact O-CB 3.41Å; E130-Y134 PolarHBondContact O-N 2.99Å; E130-Y134 VanDerWaalsContact O-N 3.11Å; I131-Y134 PolarHBondContact O-N 3.29Å; V132-Y134 PolarHBondContact O-N 3.46Å; Y134-V136 PolarHBondContact O-N 3.05Å; Y134-E137 PolarHBondContact O-N 3.07Å; Y134-H138 AromaticContact CD1-ND1 3.78Å; Y134-H138 AromaticContact CD2-CE1 3.81Å; Y134-H138 AromaticContact CE1-CE1 3.5Å; Y134-H138 AromaticContact CE1-ND1 3.63Å; Y134-H138 AromaticContact CE1-NE2 3.86Å; Y134-H138 AromaticContact CE2-CE1 3.3Å; Y134-H138 WeakPolarHBondContact CE2-CE1 3.46Å; Y134-H138 AromaticContact CE2-ND1 3.99Å; Y134-H138 AromaticContact CZ-CE1 3.11Å; Y134-H138 AromaticContact CZ-ND1 3.74Å; Y134-H138 AromaticContact CZ-NE2 3.44Å; Y134-H138 PolarHBondContact O-N 3.08Å; Y134-H138 PolarHBondContact O-ND1 3.28Å; Y134-H138 PolarHBondContact OH-CE1 3.23Å; Y134-H138 PolarHBondContact OH-NE2 3Å
135L98.8Very high98.1Very high0 Ų052.7 Ų52.70%025%0.25CS..Hα-helixtrans-61.2-45.3178.3-69.4175.4000111.7L87 V99 L103 V109 P119 L120 A123 I131 V132 R133 E137 H138 R139 A140L87-L135 HydrophobicContact CD1-CD2 4.4Å; V99-L135 HydrophobicContact CG1-CD2 4Å; L103-L135 HydrophobicContact CD1-CD2 3.98Å; V109-L135 HydrophobicContact CG2-CB 4.46Å; V109-L135 HydrophobicContact CG2-CD2 3.94Å; P119-L135 HydrophobicContact CB-CD1 4.15Å; L120-L135 HydrophobicContact CB-CD1 4.26Å; L120-L135 HydrophobicContact CD1-CB 4.23Å; L120-L135 HydrophobicContact CD1-CD1 4.47Å; A123-L135 HydrophobicContact CB-CD1 4.33Å; I131-L135 HydrophobicContact CG2-CD1 3.66Å; I131-L135 HydrophobicContact CG2-CG 3.98Å; I131-L135 WeakPolarHBondContact O-CB 3.24Å; I131-L135 VanDerWaalsContact O-CG 3.27Å; I131-L135 WeakPolarHBondContact O-CG 3.47Å; I131-L135 PolarHBondContact O-N 3.18Å; V132-L135 PolarHBondContact O-N 3.49Å; R133-L135 PolarHBondContact O-N 3.45Å; L135-E137 PolarHBondContact O-N 3.07Å; L135-H138 CarbonylContact O-C 3.49Å; L135-H138 VanDerWaalsContact O-C 3.27Å; L135-H138 WeakPolarHBondContact O-CA 3.5Å; L135-H138 PolarHBondContact O-N 3.16Å; L135-R139 PolarHBondContact O-N 2.75Å; L135-A140 VanDerWaalsContact C-CB 3.47Å; L135-A140 HydrophobicContact CB-CB 3.95Å; L135-A140 WeakPolarHBondContact O-CB 3.45Å; L135-A140 PolarHBondContact O-N 3.29Å
136V98.4Very high98.1Very high20 Ų2050.4 Ų50.412%0.12124%0.241CC..Hα-helixtrans-64.6-39178174.50000111.6L120 V132 R133 Y134 H138 R139 M142 F167 R171L120-V136 HydrophobicContact CD1-CG2 3.81Å; L120-V136 HydrophobicContact CD2-CG2 4.03Å; V132-V136 WeakPolarHBondContact O-CG2 3.32Å; V132-V136 PolarHBondContact O-N 2.86Å; R133-V136 PolarHBondContact O-N 3.02Å; Y134-V136 PolarHBondContact O-N 3.05Å; V136-H138 PolarHBondContact O-N 3.21Å; V136-R139 PolarHBondContact O-N 3.04Å; V136-R139 VanDerWaalsContact O-N 3.1Å; V136-M142 HydrophobicContact CG1-SD 4.26Å; V136-M142 HydrophobicContact CG2-CG 4.09Å; V136-M142 HydrophobicContact CG2-SD 4.25Å; V136-F167 HydrophobicContact CB-CE1 4.04Å; V136-F167 HydrophobicContact CB-CZ 4.27Å; V136-F167 HydrophobicContact CG1-CE1 4.3Å; V136-F167 HydrophobicContact CG1-CZ 4.36Å; V136-F167 HydrophobicContact CG2-CE1 3.99Å; V136-R171 HydrophobicContact CG1-CG 4.37Å
137E97.8Very high98Very high111 Ų11155.4 Ų55.452%0.51926%0.256SS..Hα-helixtrans-63.5-25.6173.1-73.8166.3-172.800112.8R133 Y134 L135 R139 R171R133-E137 WeakPolarHBondContact O-CB 3.42Å; R133-E137 VanDerWaalsContact O-CG 3.32Å; R133-E137 WeakPolarHBondContact O-CG 3.46Å; R133-E137 PolarHBondContact O-N 3.25Å; Y134-E137 PolarHBondContact O-N 3.07Å; L135-E137 PolarHBondContact O-N 3.07Å; E137-R139 VanDerWaalsContact C-N 3.32Å; E137-R171 IonicContact OE1-NH2 3.91Å
138H98.1Very high97.8Very high76 Ų7658.7 Ų58.735%0.35226%0.264SS..THydrogen-bonded Turntrans-96.828.5174.6-66.470.1000112.7L103 Y134 L135 V136 A140L103-H138 HydrophobicContact CD1-CB 4.05Å; Y134-H138 AromaticContact CD1-ND1 3.78Å; Y134-H138 AromaticContact CD2-CE1 3.81Å; Y134-H138 AromaticContact CE1-CE1 3.5Å; Y134-H138 AromaticContact CE1-ND1 3.63Å; Y134-H138 AromaticContact CE1-NE2 3.86Å; Y134-H138 AromaticContact CE2-CE1 3.3Å; Y134-H138 WeakPolarHBondContact CE2-CE1 3.46Å; Y134-H138 AromaticContact CE2-ND1 3.99Å; Y134-H138 AromaticContact CZ-CE1 3.11Å; Y134-H138 AromaticContact CZ-ND1 3.74Å; Y134-H138 AromaticContact CZ-NE2 3.44Å; Y134-H138 PolarHBondContact O-N 3.08Å; Y134-H138 PolarHBondContact O-ND1 3.28Å; Y134-H138 PolarHBondContact OH-CE1 3.23Å; Y134-H138 PolarHBondContact OH-NE2 3Å; L135-H138 CarbonylContact O-C 3.49Å; L135-H138 VanDerWaalsContact O-C 3.27Å; L135-H138 WeakPolarHBondContact O-CA 3.5Å; L135-H138 PolarHBondContact O-N 3.16Å; V136-H138 PolarHBondContact O-N 3.21Å; H138-A140 PolarHBondContact O-N 3.04Å
139R97.4Very high97.8Very high220 Ų22056.8 Ų56.883%0.8326%0.259SS*.THydrogen-bonded Turntrans66.229.9172.7-48.7179.5179.9-169.8-0.5114.7L135 V136 E137 D141L135-R139 PolarHBondContact O-N 2.75Å; V136-R139 PolarHBondContact O-N 3.04Å; V136-R139 VanDerWaalsContact O-N 3.1Å; E137-R139 VanDerWaalsContact C-N 3.32Å; R139-D141 PolarHBondContact O-N 3.05Å
140A98.3Very high97.7Very high8 Ų856.7 Ų56.77%0.06626%0.258CS..  trans-59.5133.7164.500000110.3V109 N110 L120 L135 H138V109-A140 HydrophobicContact CG2-CB 3.66Å; N110-A140 WeakPolarHBondContact OD1-CA 3.29Å; L120-A140 HydrophobicContact CB-CB 4.12Å; L120-A140 HydrophobicContact CD2-CB 3.92Å; L120-A140 HydrophobicContact CG-CB 4.46Å; L135-A140 VanDerWaalsContact C-CB 3.47Å; L135-A140 HydrophobicContact CB-CB 3.95Å; L135-A140 WeakPolarHBondContact O-CB 3.45Å; L135-A140 PolarHBondContact O-N 3.29Å; H138-A140 PolarHBondContact O-N 3.04Å
141D97.9Very high97.7Very high73 Ų7351.8 Ų51.839%0.3924%0.235SC..  trans-85.1115.4177.5-173.1-13.1000109.8N110 R139 E143 V144N110-D141 PolarHBondContact OD1-N 3.27Å; R139-D141 PolarHBondContact O-N 3.05Å; D141-E143 PolarHBondContact O-N 3.31Å; D141-E143 WeakPolarHBondContact OD1-CB 3.36Å; D141-E143 PolarHBondContact OD1-N 2.93Å; D141-V144 HydrophobicContact CB-CG2 3.72Å
142M96.8Very high97.7Very high27 Ų2751.6 Ų51.613%0.13323%0.234CC..THydrogen-bonded Turntrans-70.7-19.5-179.5-61.6179.3-61.200112.7L120 V136 L168 R171L120-M142 HydrophobicContact CD2-CB 4.38Å; L120-M142 HydrophobicContact CD2-CG 3.9Å; V136-M142 HydrophobicContact CG1-SD 4.26Å; V136-M142 HydrophobicContact CG2-CG 4.09Å; V136-M142 HydrophobicContact CG2-SD 4.25Å; M142-L168 HydrophobicContact CG-CD2 3.96Å; M142-L168 HydrophobicContact SD-CD2 3.69Å; M142-R171 HydrophobicContact CE-CB 3.92Å; M142-R171 WeakPolarHBondContact CE-O 3.31Å; M142-R171 HydrophobicContact SD-CB 3.81Å
143E97.4Very high97.7Very high49 Ų4951.8 Ų51.823%0.22924%0.235CC..THydrogen-bonded Turntrans-95.3-9.1-172.8-61.7-53.4137.300113.4D141 A145 A173 D174 R177D141-E143 PolarHBondContact O-N 3.31Å; D141-E143 WeakPolarHBondContact OD1-CB 3.36Å; D141-E143 PolarHBondContact OD1-N 2.93Å; E143-A145 PolarHBondContact O-N 3.47Å; E143-A173 WeakPolarHBondContact OE1-CA 3.42Å; E143-D174 PolarHBondContact OE1-N 2.89Å; E143-R177 PolarHBondContact O-NH1 3.49Å; E143-R177 PolarHBondContact O-NH2 3.48Å; E143-R177 WeakPolarHBondContact OE2-CG 3.3Å; E143-R177 IonicContact OE2-CZ 3.83Å; E143-R177 IonicContact OE2-NH1 2.81Å; E143-R177 PolarHBondContact OE2-NH1 2.98Å
144V97.3Very high97.7Very high37 Ų3748.2 Ų48.222%0.22422%0.222CC..  trans-68.1112.4170.61790000109.1T118 D141T118-V144 HydrophobicContact CG2-CB 3.86Å; T118-V144 HydrophobicContact CG2-CG1 3.42Å; T118-V144 VanDerWaalsContact CG2-CG1 3.42Å; D141-V144 HydrophobicContact CB-CG2 3.72Å
145A97Very high97.7Very high12 Ų1246.4 Ų46.410%0.09922%0.215CC..  trans-98.4158.9179.700000111.5N116 E143 H150 T151N116-A145 PolarHBondContact ND2-O 2.75Å; E143-A145 PolarHBondContact O-N 3.47Å; A145-H150 WeakPolarHBondContact CA-O 3.17Å; A145-T151 HydrophobicContact CB-CG2 4.24Å
146N97.4Very high97.7Very high21 Ų2146.4 Ų46.411%0.11222%0.215CC..  trans-65.6176.4170.276.61.4000111.6T115 N116 H148 G149 H150T115-N146 CarbonylContact O-C 3.56Å; T115-N146 WeakPolarHBondContact O-CA 3.49Å; T115-N146 WeakPolarHBondContact O-CB 3.41Å; N116-N146 WeakPolarHBondContact O-CA 3.43Å; N146-H148 PolarHBondContact O-N 2.97Å; N146-H148 WeakPolarHBondContact OD1-CA 3.29Å; N146-H148 WeakPolarHBondContact OD1-CB 3.47Å; N146-H148 PolarHBondContact OD1-N 2.83Å; N146-G149 PolarHBondContact O-N 3.23Å; N146-G149 PolarHBondContact OD1-N 2.96Å; N146-H150 PolarHBondContact N-O 3.36Å; N146-H150 VanDerWaalsContact N-O 3.1Å; N146-H150 WeakPolarHBondContact OD1-CB 3.39Å; N146-H150 PolarHBondContact OD1-N 2.7Å
147R95.8Very high97.7Very high163 Ų16345.5 Ų45.562%0.61521%0.209SC*.THydrogen-bonded Turntrans-56.6-15.2179.372.1175.7-166175.56.6115.2T115T115-R147 PolarHBondContact O-N 3.07Å
148H95.1Very high97.7Very high95 Ų9545.6 Ų45.644%0.4421%0.206SC..THydrogen-bonded Turntrans-100.35.3177.8-58.9-56.9000112.6N146 H150 S179 V180N146-H148 PolarHBondContact O-N 2.97Å; N146-H148 WeakPolarHBondContact OD1-CA 3.29Å; N146-H148 WeakPolarHBondContact OD1-CB 3.47Å; N146-H148 PolarHBondContact OD1-N 2.83Å; H148-H150 VanDerWaalsContact C-N 3.31Å; H148-S179 WeakPolarHBondContact O-CB 3.5Å; H148-V180 PolarHBondContact O-N 3.28Å
149G97.1Very high97.7Very high14 Ų1445.9 Ų45.914%0.14421%0.206CC..  trans76.115.1-177.400000114N146 S179N146-G149 PolarHBondContact O-N 3.23Å; N146-G149 PolarHBondContact OD1-N 2.96Å; G149-S179 WeakPolarHBondContact O-CA 3.29Å
150H97.9Very high97.8Very high31 Ų3137 Ų3714%0.14418%0.183CC..  trans-81117.6176.4-115-102.3000111.7A145 N146 H148 D188A145-H150 WeakPolarHBondContact CA-O 3.17Å; N146-H150 PolarHBondContact N-O 3.36Å; N146-H150 VanDerWaalsContact N-O 3.1Å; N146-H150 WeakPolarHBondContact OD1-CB 3.39Å; N146-H150 PolarHBondContact OD1-N 2.7Å; H148-H150 VanDerWaalsContact C-N 3.31Å; H150-D188 IonicContact CE1-OD1 3.75Å; H150-D188 PolarHBondContact CE1-OD1 3.03Å; H150-D188 VanDerWaalsContact CE1-OD1 3.23Å; H150-D188 IonicContact CE1-OD2 2.8Å; H150-D188 PolarHBondContact CE1-OD2 2.64Å; H150-D188 IonicContact NE2-OD1 2.83Å
151T98.4Very high97.8Very high4 Ų439 Ų393%0.02519%0.191CC..  trans-83.5172.2-178.369.70000113A145 L153 M154 I155 R177A145-T151 HydrophobicContact CB-CG2 4.24Å; T151-L153 VanDerWaalsContact C-N 3.33Å; T151-L153 PolarHBondContact OG1-N 3.31Å; T151-M154 HydrophobicContact CG2-CE 4.28Å; T151-M154 HydrophobicContact CG2-SD 4.18Å; T151-M154 PolarHBondContact N-SD 3.49Å; T151-M154 VanDerWaalsContact N-SD 3.42Å; T151-M154 PolarHBondContact O-N 3.19Å; T151-M154 WeakPolarHBondContact OG1-CG 3.42Å; T151-M154 PolarHBondContact OG1-N 3.47Å; T151-I155 PolarHBondContact O-N 2.97Å; T151-R177 HydrophobicContact CG2-CB 3.92Å; T151-R177 HydrophobicContact CG2-CG 4.16Å
152C98.6Very high97.8Very high0 Ų039.4 Ų39.40%019%0.189CC..Hα-helixtrans-63.6-37.5173.1-62.60000112.2L120 I155 S156 L168L120-C152 HydrophobicContact CG-CB 4.48Å; C152-I155 VanDerWaalsContact O-CG2 3.3Å; C152-I155 WeakPolarHBondContact O-CG2 3.33Å; C152-S156 WeakPolarHBondContact O-CB 3.33Å; C152-S156 PolarHBondContact O-N 3.05Å; C152-S156 VanDerWaalsContact O-N 3.13Å; C152-S156 PolarHBondContact O-OG 3.18Å; C152-L168 HydrophobicContact CB-CD1 4.06Å
153L98.8Very high97.9Very high4 Ų443.1 Ų43.12%0.02121%0.206CC..Hα-helixtrans-65.5-48.4176.317961.8000111.1T151 I155 S156 C157 A165 L168 L169 A173 A185 L201T151-L153 VanDerWaalsContact C-N 3.33Å; T151-L153 PolarHBondContact OG1-N 3.31Å; L153-I155 PolarHBondContact O-N 3.44Å; L153-S156 WeakPolarHBondContact O-CB 3.46Å; L153-S156 PolarHBondContact O-N 2.74Å; L153-C157 PolarHBondContact O-N 3.28Å; L153-C157 PolarHBondContact O-SG 2.93Å; L153-A165 HydrophobicContact CD1-CB 4.14Å; L153-L168 HydrophobicContact CB-CD1 4.41Å; L153-L168 HydrophobicContact CD1-CB 4.42Å; L153-L169 HydrophobicContact CD1-CD2 4.28Å; L153-L169 HydrophobicContact CD1-CG 4.07Å; L153-L169 HydrophobicContact CD2-CD2 3.84Å; L153-A173 HydrophobicContact CD2-CB 4.4Å; L153-A185 HydrophobicContact CD2-CB 4.27Å; L153-A185 HydrophobicContact CG-CB 4.15Å; L153-L201 HydrophobicContact CD1-CD2 4.31Å; L153-L201 HydrophobicContact CD2-CD2 4.18Å; L153-L201 HydrophobicContact CG-CD2 4.49Å
154M98.7Very high98Very high2 Ų240.9 Ų40.91%0.0120%0.196CC..Hα-helixtrans-52.9-52.2177.1-78.6173.3-172.800112.2T151 S156 C157 Y158 R177 N183 A185 D188T151-M154 HydrophobicContact CG2-CE 4.28Å; T151-M154 HydrophobicContact CG2-SD 4.18Å; T151-M154 PolarHBondContact N-SD 3.49Å; T151-M154 VanDerWaalsContact N-SD 3.42Å; T151-M154 PolarHBondContact O-N 3.19Å; T151-M154 WeakPolarHBondContact OG1-CG 3.42Å; T151-M154 PolarHBondContact OG1-N 3.47Å; M154-S156 VanDerWaalsContact C-N 3.31Å; M154-S156 PolarHBondContact O-N 3.1Å; M154-C157 WeakPolarHBondContact O-CB 3.45Å; M154-C157 PolarHBondContact O-N 3.31Å; M154-Y158 PolarHBondContact O-N 3.44Å; M154-R177 VanDerWaalsContact CE-C 3.43Å; M154-R177 HydrophobicContact CE-CB 3.9Å; M154-R177 WeakPolarHBondContact CE-O 3.26Å; M154-N183 VanDerWaalsContact CE-O 3.31Å; M154-N183 WeakPolarHBondContact CE-O 3.35Å; M154-A185 HydrophobicContact CG-CB 4.36Å; M154-D188 WeakPolarHBondContact CA-OD2 3.48Å; M154-D188 WeakPolarHBondContact CB-OD2 3.41Å; M154-D188 VanDerWaalsContact CG-OD2 3.28Å; M154-D188 WeakPolarHBondContact CG-OD2 3.39Å
155I98.5Very high98Very high8 Ų839.1 Ų39.14%0.04119%0.185CC..Hα-helixtrans-66.8-33.4-179.3-166.558.9000112.9R121 C124 F125 T151 C152 L153 C157 Y158 K159R121-I155 HydrophobicContact CG-CG2 4.08Å; C124-I155 HydrophobicContact CB-CG2 3.88Å; F125-I155 HydrophobicContact CB-CG1 4.16Å; F125-I155 HydrophobicContact CD2-CD1 3.65Å; F125-I155 HydrophobicContact CD2-CG1 3.65Å; F125-I155 HydrophobicContact CE2-CD1 4.12Å; F125-I155 HydrophobicContact CG-CG1 4.34Å; T151-I155 PolarHBondContact O-N 2.97Å; C152-I155 VanDerWaalsContact O-CG2 3.3Å; C152-I155 WeakPolarHBondContact O-CG2 3.33Å; L153-I155 PolarHBondContact O-N 3.44Å; I155-C157 VanDerWaalsContact C-N 3.33Å; I155-Y158 HydrophobicContact CD1-CD1 4.31Å; I155-Y158 PolarHBondContact O-N 2.89Å; I155-K159 HydrophobicContact CD1-CG 4.22Å; I155-K159 HydrophobicContact CG1-CG 4.35Å; I155-K159 WeakPolarHBondContact O-CB 3.34Å; I155-K159 WeakPolarHBondContact O-CG 3.47Å; I155-K159 PolarHBondContact O-N 3.25Å
156S98.7Very high98.1Very high0 Ų043 Ų430%020%0.199CC..Hα-helixtrans-64.8-39.1174.8-560000111.5C124 C152 L153 M154 G160 H161 I164C124-S156 WeakPolarHBondContact CB-OG 3.37Å; C152-S156 WeakPolarHBondContact O-CB 3.33Å; C152-S156 PolarHBondContact O-N 3.05Å; C152-S156 VanDerWaalsContact O-N 3.13Å; C152-S156 PolarHBondContact O-OG 3.18Å; L153-S156 WeakPolarHBondContact O-CB 3.46Å; L153-S156 PolarHBondContact O-N 2.74Å; M154-S156 VanDerWaalsContact C-N 3.31Å; M154-S156 PolarHBondContact O-N 3.1Å; S156-G160 PolarHBondContact O-N 2.9Å; S156-G160 VanDerWaalsContact O-N 3.15Å; S156-H161 PolarHBondContact O-N 2.94Å; S156-I164 WeakPolarHBondContact OG-CG2 3.47Å
157C98.7Very high98.2Very high0 Ų042.7 Ų42.70%020%0.197CC..Hα-helixtrans-64.7-47.4173.9-70.40000112L153 M154 I155 K159 G160 D188 S192 S194 I197L153-C157 PolarHBondContact O-N 3.28Å; L153-C157 PolarHBondContact O-SG 2.93Å; M154-C157 WeakPolarHBondContact O-CB 3.45Å; M154-C157 PolarHBondContact O-N 3.31Å; I155-C157 VanDerWaalsContact C-N 3.33Å; C157-K159 VanDerWaalsContact C-N 3.33Å; C157-K159 PolarHBondContact O-N 2.94Å; C157-G160 PolarHBondContact O-N 3.49Å; C157-D188 HydrophobicContact CB-CB 3.79Å; C157-S192 PolarHBondContact O-OG 3.49Å; C157-S194 PolarHBondContact O-OG 3Å; C157-I197 HydrophobicContact CB-CG2 4.4Å; C157-I197 VanDerWaalsContact SG-CG2 3.52Å
158Y98.6Very high98.3Very high113 Ų11335 Ų3544%0.44317%0.168SC..Hα-helixtrans-64-37.8-179.4-177.8-100.7000112.3M154 I155 G160 E191 S192M154-Y158 PolarHBondContact O-N 3.44Å; I155-Y158 HydrophobicContact CD1-CD1 4.31Å; I155-Y158 PolarHBondContact O-N 2.89Å; Y158-G160 VanDerWaalsContact C-N 3.31Å; Y158-E191 HydrophobicContact CD2-CB 4.47Å; Y158-E191 HydrophobicContact CE2-CB 4.29Å; Y158-S192 WeakPolarHBondContact O-CB 3.37Å
159K98.2Very high98.5Very high83 Ų8331.5 Ų31.536%0.36115%0.153SC..THydrogen-bonded Turntrans-81.7-7.6177.8-69.3-71.2-151.7168.20113.9F125 I155 C157 H161F125-K159 VanDerWaalsContact CE1-NZ 3.31Å; F125-K159 WeakPolarHBondContact O-CE 3.34Å; F125-K159 WeakPolarHBondContact O-CG 3.36Å; I155-K159 HydrophobicContact CD1-CG 4.22Å; I155-K159 HydrophobicContact CG1-CG 4.35Å; I155-K159 WeakPolarHBondContact O-CB 3.34Å; I155-K159 WeakPolarHBondContact O-CG 3.47Å; I155-K159 PolarHBondContact O-N 3.25Å; C157-K159 VanDerWaalsContact C-N 3.33Å; C157-K159 PolarHBondContact O-N 2.94Å; K159-H161 WeakPolarHBondContact CB-CD2 3.37Å; K159-H161 WeakPolarHBondContact CB-NE2 3.38Å
160G98.1Very high98.5Very high33 Ų3336.5 Ų36.534%0.3418%0.176SC..THydrogen-bonded Turntrans77.218.6179.700000114.9S156 C157 Y158 K162 S194S156-G160 PolarHBondContact O-N 2.9Å; S156-G160 VanDerWaalsContact O-N 3.15Å; C157-G160 PolarHBondContact O-N 3.49Å; Y158-G160 VanDerWaalsContact C-N 3.31Å; G160-K162 VanDerWaalsContact C-N 3.33Å; G160-K162 PolarHBondContact O-N 3.1Å; G160-S194 WeakPolarHBondContact CA-OG 3.37Å
161H98.6Very high98.5Very high50 Ų5040.1 Ų40.123%0.23119%0.189CC..  trans-79.876.7-177.7-62.7-45000111.9C124 F125 G127 S156 K159 E163 I164 A165C124-H161 PolarHBondContact O-CD2 3.3Å; F125-H161 PolarHBondContact O-NE2 3.38Å; G127-H161 WeakPolarHBondContact CA-NE2 3.47Å; G127-H161 PolarHBondContact N-NE2 3Å; S156-H161 PolarHBondContact O-N 2.94Å; K159-H161 WeakPolarHBondContact CB-CD2 3.37Å; K159-H161 WeakPolarHBondContact CB-NE2 3.38Å; H161-E163 PolarHBondContact O-N 2.61Å; H161-I164 HydrophobicContact CB-CB 4.04Å; H161-I164 HydrophobicContact CB-CD1 4.01Å; H161-I164 HydrophobicContact CB-CG1 4.27Å; H161-I164 PolarHBondContact O-N 3.01Å; H161-A165 PolarHBondContact O-N 2.93Å
162K98.6Very high98.4Very high82 Ų8242.8 Ų42.836%0.35722%0.216SC..Hα-helixtrans-52.3-48.1-173.7-175.5-178.9-179.8172.60114G160 I164 A165 K166 D196 I197 M200G160-K162 VanDerWaalsContact C-N 3.33Å; G160-K162 PolarHBondContact O-N 3.1Å; K162-I164 VanDerWaalsContact C-N 3.34Å; K162-I164 PolarHBondContact O-N 3.19Å; K162-A165 PolarHBondContact O-N 3.34Å; K162-K166 WeakPolarHBondContact O-CB 3.4Å; K162-K166 PolarHBondContact O-N 2.89Å; K162-D196 HydrophobicContact CD-CB 4.21Å; K162-D196 IonicContact NZ-OD2 3.66Å; K162-D196 PolarHBondContact NZ-OD2 3.06Å; K162-I197 HydrophobicContact CB-CD1 4.26Å; K162-I197 HydrophobicContact CB-CG1 4.08Å; K162-I197 HydrophobicContact CG-CG1 4.29Å; K162-M200 HydrophobicContact CG-CE 3.58Å; K162-M200 HydrophobicContact CG-SD 4.4Å
163E98.7Very high98.4Very high104 Ų10443.2 Ų43.249%0.48622%0.22SC..Hα-helixtrans-69.5-32.2-176.7-62.3-53.5140.900112.6L129 H161 F167L129-E163 HydrophobicContact CD2-CB 3.67Å; H161-E163 PolarHBondContact O-N 2.61Å; E163-F167 VanDerWaalsContact O-CB 3.32Å; E163-F167 WeakPolarHBondContact O-CB 3.39Å; E163-F167 PolarHBondContact O-N 3.07Å
164I98.8Very high98.4Very high3 Ų346.5 Ų46.52%0.01524%0.238CC..Hα-helixtrans-70.2-49.1173.7-66.2178.1000110C124 G127 L129 V132 S156 H161 K162 K166 F167 L168C124-I164 HydrophobicContact CB-CG2 4.38Å; G127-I164 VanDerWaalsContact CA-CD1 3.5Å; L129-I164 HydrophobicContact CB-CD1 4.44Å; L129-I164 HydrophobicContact CB-CG1 4Å; L129-I164 HydrophobicContact CD1-CB 4.45Å; L129-I164 HydrophobicContact CD1-CG1 3.67Å; L129-I164 HydrophobicContact CG-CG1 4.39Å; V132-I164 HydrophobicContact CG1-CG2 4.24Å; V132-I164 HydrophobicContact CG2-CD1 4.14Å; V132-I164 HydrophobicContact CG2-CG1 4.48Å; V132-I164 HydrophobicContact CG2-CG2 4.23Å; S156-I164 WeakPolarHBondContact OG-CG2 3.47Å; H161-I164 HydrophobicContact CB-CB 4.04Å; H161-I164 HydrophobicContact CB-CD1 4.01Å; H161-I164 HydrophobicContact CB-CG1 4.27Å; H161-I164 PolarHBondContact O-N 3.01Å; K162-I164 VanDerWaalsContact C-N 3.34Å; K162-I164 PolarHBondContact O-N 3.19Å; I164-K166 VanDerWaalsContact C-N 3.29Å; I164-K166 PolarHBondContact O-N 2.63Å; I164-F167 PolarHBondContact O-N 3.05Å; I164-F167 VanDerWaalsContact O-N 3.15Å; I164-L168 HydrophobicContact CG2-CD1 3.99Å; I164-L168 HydrophobicContact CG2-CG 4.32Å; I164-L168 WeakPolarHBondContact O-CG 3.37Å; I164-L168 PolarHBondContact O-N 3.4Å
165A98.7Very high98.4Very high0 Ų047 Ų470%024%0.241CC..Hα-helixtrans-57.8-44178.100000111.2L153 H161 K162 L168 L169 I197L153-A165 HydrophobicContact CD1-CB 4.14Å; H161-A165 PolarHBondContact O-N 2.93Å; K162-A165 PolarHBondContact O-N 3.34Å; A165-L168 PolarHBondContact O-N 2.91Å; A165-L169 VanDerWaalsContact O-CG 3.26Å; A165-L169 WeakPolarHBondContact O-CG 3.4Å; A165-L169 PolarHBondContact O-N 3.08Å; A165-I197 HydrophobicContact CB-CD1 4.47Å; A165-I197 HydrophobicContact CB-CG2 3.83Å
166K98.8Very high98.3Very high92 Ų9248.8 Ų48.840%0.425%0.25SS..Hα-helixtrans-59.5-49.4174.4-174.3-173.6173.8-169.50111.6K162 I164 L168 L169 D170 M200K162-K166 WeakPolarHBondContact O-CB 3.4Å; K162-K166 PolarHBondContact O-N 2.89Å; I164-K166 VanDerWaalsContact C-N 3.29Å; I164-K166 PolarHBondContact O-N 2.63Å; K166-L168 VanDerWaalsContact C-N 3.34Å; K166-L168 PolarHBondContact O-N 3.18Å; K166-L169 PolarHBondContact O-N 2.85Å; K166-D170 WeakPolarHBondContact O-CB 3.37Å; K166-D170 VanDerWaalsContact O-CG 3.25Å; K166-D170 PolarHBondContact O-N 3Å; K166-M200 HydrophobicContact CB-CE 4.33Å; K166-M200 HydrophobicContact CB-SD 4.13Å; K166-M200 HydrophobicContact CG-SD 4.33Å
167F98.8Very high98.3Very high15 Ų1552.1 Ų52.17%0.06626%0.263CS..Hα-helixtrans-58.4-44.3178.3174-98.9000112.5L129 V132 R133 V136 E163 I164 D170 R171L129-F167 HydrophobicContact CD1-CB 4.37Å; V132-F167 HydrophobicContact CG1-CD1 3.79Å; V132-F167 HydrophobicContact CG1-CE1 3.93Å; R133-F167 HydrophobicContact CB-CE2 4.42Å; R133-F167 HydrophobicContact CB-CZ 4.1Å; R133-F167 HydrophobicContact CG-CD2 4.12Å; R133-F167 HydrophobicContact CG-CE1 4.25Å; R133-F167 HydrophobicContact CG-CE2 3.74Å; R133-F167 HydrophobicContact CG-CZ 3.81Å; V136-F167 HydrophobicContact CB-CE1 4.04Å; V136-F167 HydrophobicContact CB-CZ 4.27Å; V136-F167 HydrophobicContact CG1-CE1 4.3Å; V136-F167 HydrophobicContact CG1-CZ 4.36Å; V136-F167 HydrophobicContact CG2-CE1 3.99Å; E163-F167 VanDerWaalsContact O-CB 3.32Å; E163-F167 WeakPolarHBondContact O-CB 3.39Å; E163-F167 PolarHBondContact O-N 3.07Å; I164-F167 PolarHBondContact O-N 3.05Å; I164-F167 VanDerWaalsContact O-N 3.15Å; F167-D170 PolarHBondContact O-N 2.59Å; F167-R171 HydrophobicContact CD2-CG 4.39Å; F167-R171 HydrophobicContact CE1-CG 4.12Å; F167-R171 HydrophobicContact CE2-CG 4.01Å; F167-R171 VanDerWaalsContact CE2-CZ 3.43Å; F167-R171 HydrophobicContact CZ-CG 3.86Å; F167-R171 VanDerWaalsContact CZ-CZ 3.45Å; F167-R171 VanDerWaalsContact O-CG 3.29Å; F167-R171 WeakPolarHBondContact O-CG 3.41Å; F167-R171 PolarHBondContact O-N 3.29Å
168L98.6Very high98.3Very high1 Ų156.5 Ų56.51%0.00528%0.282CS..Hα-helixtrans-63.2-42.4177.9-67.7173.9000111.7V132 M142 C152 L153 I164 A165 K166 R171 G172 A173V132-L168 HydrophobicContact CG1-CD2 4.35Å; M142-L168 HydrophobicContact CG-CD2 3.96Å; M142-L168 HydrophobicContact SD-CD2 3.69Å; C152-L168 HydrophobicContact CB-CD1 4.06Å; L153-L168 HydrophobicContact CB-CD1 4.41Å; L153-L168 HydrophobicContact CD1-CB 4.42Å; I164-L168 HydrophobicContact CG2-CD1 3.99Å; I164-L168 HydrophobicContact CG2-CG 4.32Å; I164-L168 WeakPolarHBondContact O-CG 3.37Å; I164-L168 PolarHBondContact O-N 3.4Å; A165-L168 PolarHBondContact O-N 2.91Å; K166-L168 VanDerWaalsContact C-N 3.34Å; K166-L168 PolarHBondContact O-N 3.18Å; L168-R171 CarbonylContact O-C 3.59Å; L168-R171 PolarHBondContact O-N 2.95Å; L168-G172 PolarHBondContact O-N 2.83Å; L168-A173 HydrophobicContact CB-CB 4.03Å; L168-A173 VanDerWaalsContact O-CB 3.24Å; L168-A173 WeakPolarHBondContact O-CB 3.09Å; L168-A173 PolarHBondContact O-N 2.85Å
169L98.4Very high98.2Very high23 Ų2351.7 Ų51.712%0.1227%0.265CS..Hα-helixtrans-63.2-44.1175.1-69.8167.3000111.9L153 A165 K166 R171 G172 V175 M200 L201 C204L153-L169 HydrophobicContact CD1-CD2 4.28Å; L153-L169 HydrophobicContact CD1-CG 4.07Å; L153-L169 HydrophobicContact CD2-CD2 3.84Å; A165-L169 VanDerWaalsContact O-CG 3.26Å; A165-L169 WeakPolarHBondContact O-CG 3.4Å; A165-L169 PolarHBondContact O-N 3.08Å; K166-L169 PolarHBondContact O-N 2.85Å; L169-R171 PolarHBondContact O-N 3.37Å; L169-G172 PolarHBondContact O-N 2.91Å; L169-V175 HydrophobicContact CD2-CB 4.22Å; L169-V175 HydrophobicContact CD2-CG2 4.04Å; L169-M200 HydrophobicContact CD1-CB 4.44Å; L169-L201 HydrophobicContact CD1-CD2 3.94Å; L169-L201 HydrophobicContact CD2-CD2 4.09Å; L169-L201 HydrophobicContact CG-CD2 4.5Å; L169-C204 HydrophobicContact CD2-CB 4.36Å
170D98.1Very high98.1Very high118 Ų11853.3 Ų53.363%0.63128%0.282SS*.Hα-helixtrans-63-26.8177.1-69.8-17.9000111.8K166 F167K166-D170 WeakPolarHBondContact O-CB 3.37Å; K166-D170 VanDerWaalsContact O-CG 3.25Å; K166-D170 PolarHBondContact O-N 3Å; F167-D170 PolarHBondContact O-N 2.59Å
171R97.9Very high98Very high108 Ų10857.4 Ų57.441%0.40829%0.29SS..THydrogen-bonded Turntrans-89.33.1174.4-64.3-63.8-177.988.5-2.8113.8V136 E137 M142 F167 L168 L169V136-R171 HydrophobicContact CG1-CG 4.37Å; E137-R171 IonicContact OE1-NH2 3.91Å; M142-R171 HydrophobicContact CE-CB 3.92Å; M142-R171 WeakPolarHBondContact CE-O 3.31Å; M142-R171 HydrophobicContact SD-CB 3.81Å; F167-R171 HydrophobicContact CD2-CG 4.39Å; F167-R171 HydrophobicContact CE1-CG 4.12Å; F167-R171 HydrophobicContact CE2-CG 4.01Å; F167-R171 VanDerWaalsContact CE2-CZ 3.43Å; F167-R171 HydrophobicContact CZ-CG 3.86Å; F167-R171 VanDerWaalsContact CZ-CZ 3.45Å; F167-R171 VanDerWaalsContact O-CG 3.29Å; F167-R171 WeakPolarHBondContact O-CG 3.41Å; F167-R171 PolarHBondContact O-N 3.29Å; L168-R171 CarbonylContact O-C 3.59Å; L168-R171 PolarHBondContact O-N 2.95Å; L169-R171 PolarHBondContact O-N 3.37Å
172G96.4Very high97.9Very high59 Ų5955.6 Ų55.661%0.60829%0.285SS*.THydrogen-bonded Turntrans89.323.3172.300000115.4L168 L169L168-G172 PolarHBondContact O-N 2.83Å; L169-G172 PolarHBondContact O-N 2.91Å
173A98Very high97.8Very high10 Ų1052.8 Ų52.88%0.08327%0.274CS..  trans-57.9137.1171.800000111.5E143 L153 L168 V175E143-A173 WeakPolarHBondContact OE1-CA 3.42Å; L153-A173 HydrophobicContact CD2-CB 4.4Å; L168-A173 HydrophobicContact CB-CB 4.03Å; L168-A173 VanDerWaalsContact O-CB 3.24Å; L168-A173 WeakPolarHBondContact O-CB 3.09Å; L168-A173 PolarHBondContact O-N 2.85Å; A173-V175 PolarHBondContact O-N 3.38Å; A173-V175 VanDerWaalsContact O-N 3.15Å
174D98.2Very high97.8Very high72 Ų7248 Ų4839%0.38525%0.252SS..  trans-73.4110.4-178.6177.29.5000111.3E143 N176 R177E143-D174 PolarHBondContact OE1-N 2.89Å; D174-N176 PolarHBondContact O-N 3.1Å; D174-N176 PolarHBondContact OD1-N 3.21Å; D174-R177 HydrophobicContact CB-CG 3.71Å; D174-R177 WeakPolarHBondContact O-CG 3.35Å; D174-R177 WeakPolarHBondContact OD2-CD 3.3Å
175V98.2Very high97.8Very high13 Ų1348 Ų488%0.07925%0.252CS..THydrogen-bonded Turntrans-67.3-21.6-177.377.70000113.7L169 A173 L201 C204 A206L169-V175 HydrophobicContact CD2-CB 4.22Å; L169-V175 HydrophobicContact CD2-CG2 4.04Å; A173-V175 PolarHBondContact O-N 3.38Å; A173-V175 VanDerWaalsContact O-N 3.15Å; V175-L201 HydrophobicContact CG2-CB 4.09Å; V175-L201 HydrophobicContact CG2-CD2 3.53Å; V175-L201 HydrophobicContact CG2-CG 4.38Å; V175-C204 HydrophobicContact CG2-CB 4.43Å; V175-A206 HydrophobicContact CG1-CB 4.32Å; V175-A206 HydrophobicContact CG2-CB 3.66Å
176N98Very high97.8Very high45 Ų4548.1 Ų48.124%0.24125%0.253CS..THydrogen-bonded Turntrans-106.711.4-173.5-67.9-58.2000113.3D174 N205 A206 R207D174-N176 PolarHBondContact O-N 3.1Å; D174-N176 PolarHBondContact OD1-N 3.21Å; N176-N205 PolarHBondContact ND2-O 2.85Å; N176-A206 WeakPolarHBondContact OD1-CA 3.39Å; N176-R207 PolarHBondContact OD1-N 3.2Å
177R98.1Very high97.8Very high71 Ų7143.8 Ų43.827%0.26823%0.234SC..  trans-54.3144.2171.4-69.2-69.2-61.1-821.5110.6E143 T151 M154 D174E143-R177 PolarHBondContact O-NH1 3.49Å; E143-R177 PolarHBondContact O-NH2 3.48Å; E143-R177 WeakPolarHBondContact OE2-CG 3.3Å; E143-R177 IonicContact OE2-CZ 3.83Å; E143-R177 IonicContact OE2-NH1 2.81Å; E143-R177 PolarHBondContact OE2-NH1 2.98Å; T151-R177 HydrophobicContact CG2-CB 3.92Å; T151-R177 HydrophobicContact CG2-CG 4.16Å; M154-R177 VanDerWaalsContact CE-C 3.43Å; M154-R177 HydrophobicContact CE-CB 3.9Å; M154-R177 WeakPolarHBondContact CE-O 3.26Å; D174-R177 HydrophobicContact CB-CG 3.71Å; D174-R177 WeakPolarHBondContact O-CG 3.35Å; D174-R177 WeakPolarHBondContact OD2-CD 3.3Å
178K98.1Very high97.8Very high91 Ų9143.1 Ų43.140%0.39623%0.231SC..  trans-115.2138.5174.4-71.6-173.6177.2-171.40110.8N183 T184 E209K178-N183 CarbonylContact C-O 3.45Å; K178-N183 WeakPolarHBondContact CA-O 3.37Å; K178-T184 HydrophobicContact CG-CG2 3.92Å; K178-E209 WeakPolarHBondContact CE-OE2 3.46Å; K178-E209 IonicContact NZ-OE2 2.7Å; K178-E209 PolarHBondContact NZ-OE2 3Å
179S97.7Very high97.8Very high13 Ų1343.1 Ų43.19%0.09123%0.231CC..  trans-68.6172.9166.886.90000110.5H148 G149 K181 G182 N183H148-S179 WeakPolarHBondContact O-CB 3.5Å; G149-S179 WeakPolarHBondContact O-CA 3.29Å; S179-K181 PolarHBondContact O-N 3.06Å; S179-K181 PolarHBondContact OG-N 3.28Å; S179-G182 PolarHBondContact O-N 2.92Å; S179-G182 PolarHBondContact OG-N 2.79Å; S179-N183 PolarHBondContact N-O 3.29Å; S179-N183 WeakPolarHBondContact OG-CB 3.49Å; S179-N183 PolarHBondContact OG-N 3.01Å; S179-N183 VanDerWaalsContact OG-N 3.11Å
180V96.4Very high97.8Very high116 Ų11642 Ų4270%0.70323%0.225SC*.THydrogen-bonded Turntrans-57.6-31.3174.81730000111.5H148H148-V180 PolarHBondContact O-N 3.28Å
181K94.3Very high97.8Very high120 Ų12039.2 Ų39.252%0.52221%0.208SC..THydrogen-bonded Turntrans-93.110.2176.4-64.6-172.4176-170.80113.4S179 N183 G212 Y213S179-K181 PolarHBondContact O-N 3.06Å; S179-K181 PolarHBondContact OG-N 3.28Å; K181-N183 VanDerWaalsContact C-N 3.34Å; K181-N183 PolarHBondContact O-N 2.98Å; K181-G212 WeakPolarHBondContact O-CA 3.17Å; K181-G212 PolarHBondContact O-N 3.21Å; K181-Y213 HydrophobicContact CD-CE2 4.32Å; K181-Y213 PolarHBondContact NZ-OH 3.08Å; K181-Y213 VanDerWaalsContact NZ-OH 3.11Å
182G97.1Very high97.8Very high12 Ų1235.7 Ų35.712%0.12420%0.2CC..  trans82.7-0.5178.300000115.9S179S179-G182 PolarHBondContact O-N 2.92Å; S179-G182 PolarHBondContact OG-N 2.79Å
183N97.1Very high97.9Very high22 Ų2233.4 Ų33.412%0.11818%0.177CC..  trans-60.8140.7176.7-64.929.4000110.4M154 K178 S179 K181 H187M154-N183 VanDerWaalsContact CE-O 3.31Å; M154-N183 WeakPolarHBondContact CE-O 3.35Å; K178-N183 CarbonylContact C-O 3.45Å; K178-N183 WeakPolarHBondContact CA-O 3.37Å; S179-N183 PolarHBondContact N-O 3.29Å; S179-N183 WeakPolarHBondContact OG-CB 3.49Å; S179-N183 PolarHBondContact OG-N 3.01Å; S179-N183 VanDerWaalsContact OG-N 3.11Å; K181-N183 VanDerWaalsContact C-N 3.34Å; K181-N183 PolarHBondContact O-N 2.98Å; N183-H187 HydrophobicContact CB-CB 4.46Å
184T98.4Very high97.9Very high4 Ų433.8 Ų33.83%0.02518%0.179CC..  trans-118.5167.517568.20000110K178 L186 H187 D188K178-T184 HydrophobicContact CG-CG2 3.92Å; T184-L186 PolarHBondContact O-N 3.07Å; T184-L186 PolarHBondContact OG1-N 3.23Å; T184-H187 PolarHBondContact N-ND1 2.94Å; T184-H187 WeakPolarHBondContact O-CA 3.44Å; T184-H187 WeakPolarHBondContact O-CB 3.36Å; T184-H187 PolarHBondContact O-N 2.99Å; T184-H187 PolarHBondContact OG1-ND1 3.4Å; T184-D188 PolarHBondContact O-N 3.13Å; T184-D188 VanDerWaalsContact O-N 3.16Å
185A98.5Very high97.9Very high2 Ų231.9 Ų31.92%0.01717%0.169CC..Hα-helixtrans-57.6-24.4174.400000113.5L153 M154 C189 L201L153-A185 HydrophobicContact CD2-CB 4.27Å; L153-A185 HydrophobicContact CG-CB 4.15Å; M154-A185 HydrophobicContact CG-CB 4.36Å; A185-C189 PolarHBondContact O-N 2.96Å; A185-C189 VanDerWaalsContact O-N 3.08Å; A185-C189 PolarHBondContact O-SG 3.05Å; A185-L201 HydrophobicContact CB-CD1 3.82Å; A185-L201 HydrophobicContact CB-CD2 4.21Å; A185-L201 WeakPolarHBondContact O-CD1 3.23Å
186L98.4Very high97.9Very high4 Ų435.1 Ų35.12%0.02119%0.186CC..Hα-helixtrans-70.7-37.2172.2-74.3176.1000112.6T184 D188 C189 A190 M198 L201 L202 A206 R207 M208 P217T184-L186 PolarHBondContact O-N 3.07Å; T184-L186 PolarHBondContact OG1-N 3.23Å; L186-D188 VanDerWaalsContact C-N 3.33Å; L186-C189 PolarHBondContact O-N 3.49Å; L186-A190 WeakPolarHBondContact O-CB 3.37Å; L186-A190 PolarHBondContact O-N 3.47Å; L186-M198 HydrophobicContact CD2-CG 3.89Å; L186-L201 HydrophobicContact CD2-CB 3.81Å; L186-L201 HydrophobicContact CD2-CD1 3.9Å; L186-L201 HydrophobicContact CG-CB 4.49Å; L186-L201 HydrophobicContact CG-CD1 4.31Å; L186-L202 HydrophobicContact CD1-CD2 4.1Å; L186-L202 HydrophobicContact CD2-CD2 4.16Å; L186-L202 HydrophobicContact CD2-CG 4.1Å; L186-A206 HydrophobicContact CD1-CB 3.62Å; L186-A206 HydrophobicContact CD2-CB 4.16Å; L186-A206 HydrophobicContact CG-CB 3.83Å; L186-R207 WeakPolarHBondContact CD1-O 3.41Å; L186-M208 HydrophobicContact CD1-CG 4.12Å; L186-P217 HydrophobicContact CB-CB 4.07Å; L186-P217 HydrophobicContact CB-CG 3.66Å; L186-P217 HydrophobicContact CD1-CG 4.49Å
187H98.7Very high97.9Very high0 Ų033.2 Ų33.20%018%0.175CC..Hα-helixtrans-62.7-44.1172.8-66.585.1000110N183 T184 C189 A190 E191 E209 M215N183-H187 HydrophobicContact CB-CB 4.46Å; T184-H187 PolarHBondContact N-ND1 2.94Å; T184-H187 WeakPolarHBondContact O-CA 3.44Å; T184-H187 WeakPolarHBondContact O-CB 3.36Å; T184-H187 PolarHBondContact O-N 2.99Å; T184-H187 PolarHBondContact OG1-ND1 3.4Å; H187-C189 VanDerWaalsContact C-N 3.33Å; H187-C189 PolarHBondContact O-N 2.8Å; H187-A190 CarbonylContact O-C 3.58Å; H187-A190 WeakPolarHBondContact O-CA 3.35Å; H187-A190 WeakPolarHBondContact O-CB 3.19Å; H187-A190 PolarHBondContact O-N 3.49Å; H187-E191 WeakPolarHBondContact O-CG 3.46Å; H187-E191 PolarHBondContact O-N 2.98Å; H187-E209 PolarHBondContact CE1-O 2.95Å; H187-E209 PolarHBondContact NE2-O 3.07Å; H187-M215 PolarHBondContact NE2-O 3.09Å
188D98.6Very high98Very high2 Ų229.8 Ų29.81%0.01116%0.162CC..Hα-helixtrans-60.4-39.8176.3-70.2-42.3000113.3H150 M154 C157 T184 L186 A190 S192H150-D188 IonicContact CE1-OD1 3.75Å; H150-D188 PolarHBondContact CE1-OD1 3.03Å; H150-D188 VanDerWaalsContact CE1-OD1 3.23Å; H150-D188 IonicContact CE1-OD2 2.8Å; H150-D188 PolarHBondContact CE1-OD2 2.64Å; H150-D188 IonicContact NE2-OD1 2.83Å; M154-D188 WeakPolarHBondContact CA-OD2 3.48Å; M154-D188 WeakPolarHBondContact CB-OD2 3.41Å; M154-D188 VanDerWaalsContact CG-OD2 3.28Å; M154-D188 WeakPolarHBondContact CG-OD2 3.39Å; C157-D188 HydrophobicContact CB-CB 3.79Å; T184-D188 PolarHBondContact O-N 3.13Å; T184-D188 VanDerWaalsContact O-N 3.16Å; L186-D188 VanDerWaalsContact C-N 3.33Å; D188-A190 VanDerWaalsContact C-N 3.33Å; D188-S192 VanDerWaalsContact O-CB 3.31Å; D188-S192 WeakPolarHBondContact O-CB 3.32Å; D188-S192 PolarHBondContact O-N 3.31Å; D188-S192 VanDerWaalsContact O-N 3.15Å; D188-S192 PolarHBondContact O-OG 2.89Å
189C98.7Very high98Very high0 Ų028.7 Ų28.70%016%0.158CC..Hα-helixtrans-66.2-38172.5-65.80000112A185 L186 H187 S192 G193 S194 M198 L201A185-C189 PolarHBondContact O-N 2.96Å; A185-C189 VanDerWaalsContact O-N 3.08Å; A185-C189 PolarHBondContact O-SG 3.05Å; L186-C189 PolarHBondContact O-N 3.49Å; H187-C189 VanDerWaalsContact C-N 3.33Å; H187-C189 PolarHBondContact O-N 2.8Å; C189-S192 PolarHBondContact O-OG 3.07Å; C189-G193 CarbonylContact O-C 3.51Å; C189-G193 PolarHBondContact O-N 3.45Å; C189-S194 PolarHBondContact O-N 3.12Å; C189-M198 HydrophobicContact CB-CB 3.84Å; C189-M198 HydrophobicContact CB-CE 3.82Å; C189-L201 WeakPolarHBondContact SG-CD1 3.27Å
190A98.5Very high98Very high0 Ų029.7 Ų29.70%016%0.161CC..Hα-helixtrans-66.1-43.4179.200000112L186 H187 D188 M198 P217 A220 A221 T224 H226 I229L186-A190 WeakPolarHBondContact O-CB 3.37Å; L186-A190 PolarHBondContact O-N 3.47Å; H187-A190 CarbonylContact O-C 3.58Å; H187-A190 WeakPolarHBondContact O-CA 3.35Å; H187-A190 WeakPolarHBondContact O-CB 3.19Å; H187-A190 PolarHBondContact O-N 3.49Å; D188-A190 VanDerWaalsContact C-N 3.33Å; A190-M198 HydrophobicContact CB-CE 3.96Å; A190-P217 HydrophobicContact CB-CB 4.18Å; A190-P217 WeakPolarHBondContact CB-O 3.4Å; A190-A220 HydrophobicContact CB-CB 4.16Å; A190-A221 HydrophobicContact CB-CB 4.03Å; A190-T224 PolarHBondContact O-OG1 3.1Å; A190-H226 PolarHBondContact O-CD2 3.16Å; A190-I229 HydrophobicContact CB-CG2 4.28Å
191E98.1Very high98.1Very high59 Ų5924.1 Ų24.128%0.27613%0.128SC..Hα-helixtrans-74-24.9-179.1-70177.8-151.700113.5Y158 H187 A220 T224 H226Y158-E191 HydrophobicContact CD2-CB 4.47Å; Y158-E191 HydrophobicContact CE2-CB 4.29Å; H187-E191 WeakPolarHBondContact O-CG 3.46Å; H187-E191 PolarHBondContact O-N 2.98Å; E191-A220 HydrophobicContact CG-CB 4.35Å; E191-T224 HydrophobicContact CB-CG2 4.15Å; E191-T224 HydrophobicContact CG-CG2 4.1Å; E191-H226 PolarHBondContact O-CD2 3.21Å; E191-H226 VanDerWaalsContact O-CD2 3.24Å; E191-H226 PolarHBondContact O-NE2 3.44Å
192S97.9Very high98.2Very high34 Ų3420.1 Ų20.124%0.23811%0.111CC..Hα-helixtrans-95.9-14.2177.462.30000114.2C157 Y158 D188 C189 S194C157-S192 PolarHBondContact O-OG 3.49Å; Y158-S192 WeakPolarHBondContact O-CB 3.37Å; D188-S192 VanDerWaalsContact O-CB 3.31Å; D188-S192 WeakPolarHBondContact O-CB 3.32Å; D188-S192 PolarHBondContact O-N 3.31Å; D188-S192 VanDerWaalsContact O-N 3.15Å; D188-S192 PolarHBondContact O-OG 2.89Å; C189-S192 PolarHBondContact O-OG 3.07Å; S192-S194 VanDerWaalsContact C-N 3.32Å; S192-S194 WeakPolarHBondContact OG-CB 3.48Å; S192-S194 PolarHBondContact OG-OG 2.91Å
193G98.2Very high98.2Very high12 Ų1227.8 Ų27.812%0.12414%0.142CC..THydrogen-bonded Turntrans76.816.5-174.400000114.2C189 L195 H226 N228C189-G193 CarbonylContact O-C 3.51Å; C189-G193 PolarHBondContact O-N 3.45Å; G193-L195 VanDerWaalsContact C-N 3.29Å; G193-L195 PolarHBondContact O-N 3.39Å; G193-H226 PolarHBondContact N-CD2 3Å; G193-N228 PolarHBondContact O-ND2 3.46Å
194S98.3Very high98.1Very high18 Ų1829.5 Ų29.513%0.12616%0.155CC..  trans-76.867.4-175.1-62.60000113.2C157 G160 C189 S192 D196 I197 M198C157-S194 PolarHBondContact O-OG 3Å; G160-S194 WeakPolarHBondContact CA-OG 3.37Å; C189-S194 PolarHBondContact O-N 3.12Å; S192-S194 VanDerWaalsContact C-N 3.32Å; S192-S194 WeakPolarHBondContact OG-CB 3.48Å; S192-S194 PolarHBondContact OG-OG 2.91Å; S194-D196 VanDerWaalsContact C-N 3.34Å; S194-D196 PolarHBondContact O-N 3.48Å; S194-I197 PolarHBondContact O-N 3.19Å; S194-I197 VanDerWaalsContact O-N 3.16Å; S194-M198 PolarHBondContact O-N 3.44Å
195L98.5Very high98Very high32 Ų3234.9 Ų34.917%0.16818%0.183CC..Hα-helixtrans-58.7-39.8-173.1177.460.2000113.8G193 I197 M198 K199 N228 I229 Y232G193-L195 VanDerWaalsContact C-N 3.29Å; G193-L195 PolarHBondContact O-N 3.39Å; L195-I197 VanDerWaalsContact C-N 3.33Å; L195-I197 PolarHBondContact O-N 3.39Å; L195-M198 WeakPolarHBondContact O-CB 3.32Å; L195-M198 PolarHBondContact O-N 3.15Å; L195-K199 HydrophobicContact CD1-CG 4.42Å; L195-K199 HydrophobicContact CG-CD 4.39Å; L195-K199 WeakPolarHBondContact O-CG 3.28Å; L195-K199 PolarHBondContact O-N 3.36Å; L195-N228 HydrophobicContact CD2-CB 4.29Å; L195-I229 VanDerWaalsContact CA-CD1 3.47Å; L195-I229 HydrophobicContact CB-CD1 3.79Å; L195-I229 HydrophobicContact CD1-CD1 4.04Å; L195-Y232 HydrophobicContact CD1-CD1 3.64Å; L195-Y232 HydrophobicContact CD1-CD2 4.23Å; L195-Y232 HydrophobicContact CD1-CE1 4.43Å; L195-Y232 HydrophobicContact CD1-CG 3.52Å
196D98.4Very high97.9Very high81 Ų8134.8 Ų34.843%0.43318%0.183SC..Hα-helixtrans-64.6-39.4179.5-87.35.4000112.1K162 S194 K199 M200K162-D196 HydrophobicContact CD-CB 4.21Å; K162-D196 IonicContact NZ-OD2 3.66Å; K162-D196 PolarHBondContact NZ-OD2 3.06Å; S194-D196 VanDerWaalsContact C-N 3.34Å; S194-D196 PolarHBondContact O-N 3.48Å; D196-K199 PolarHBondContact O-N 3.47Å; D196-M200 WeakPolarHBondContact O-CG 3.3Å; D196-M200 PolarHBondContact O-N 3.06Å
197I98.7Very high97.8Very high4 Ų441.8 Ų41.82%0.02121%0.209CC..Hα-helixtrans-69.5-43.5177.1-52.4-178.9000109.9C157 K162 A165 S194 L195 K199 M200 L201C157-I197 HydrophobicContact CB-CG2 4.4Å; C157-I197 VanDerWaalsContact SG-CG2 3.52Å; K162-I197 HydrophobicContact CB-CD1 4.26Å; K162-I197 HydrophobicContact CB-CG1 4.08Å; K162-I197 HydrophobicContact CG-CG1 4.29Å; A165-I197 HydrophobicContact CB-CD1 4.47Å; A165-I197 HydrophobicContact CB-CG2 3.83Å; S194-I197 PolarHBondContact O-N 3.19Å; S194-I197 VanDerWaalsContact O-N 3.16Å; L195-I197 VanDerWaalsContact C-N 3.33Å; L195-I197 PolarHBondContact O-N 3.39Å; I197-K199 VanDerWaalsContact C-N 3.28Å; I197-K199 PolarHBondContact O-N 3.23Å; I197-M200 HydrophobicContact CB-CE 4.19Å; I197-M200 HydrophobicContact CG1-CE 4.08Å; I197-M200 HydrophobicContact CG2-CE 4.16Å; I197-M200 WeakPolarHBondContact O-CA 3.48Å; I197-M200 WeakPolarHBondContact O-CB 3.36Å; I197-M200 PolarHBondContact O-N 3.24Å; I197-L201 HydrophobicContact CG2-CD1 4.47Å; I197-L201 HydrophobicContact CG2-CG 4.38Å; I197-L201 WeakPolarHBondContact O-CG 3.44Å; I197-L201 PolarHBondContact O-N 2.93Å
198M98.6Very high97.6Very high0 Ų044.3 Ų44.30%022%0.221CC..Hα-helixtrans-54-45.2174.3-179.6172.6-74.400112.3L186 C189 A190 S194 L195 M200 L201 L202 I229 Y232 L233L186-M198 HydrophobicContact CD2-CG 3.89Å; C189-M198 HydrophobicContact CB-CB 3.84Å; C189-M198 HydrophobicContact CB-CE 3.82Å; A190-M198 HydrophobicContact CB-CE 3.96Å; S194-M198 PolarHBondContact O-N 3.44Å; L195-M198 WeakPolarHBondContact O-CB 3.32Å; L195-M198 PolarHBondContact O-N 3.15Å; M198-M200 VanDerWaalsContact C-N 3.29Å; M198-M200 PolarHBondContact O-N 3.48Å; M198-L201 PolarHBondContact O-N 3.26Å; M198-L202 HydrophobicContact CG-CD1 4.07Å; M198-L202 WeakPolarHBondContact O-CG 3.5Å; M198-L202 PolarHBondContact O-N 3.46Å; M198-I229 HydrophobicContact CB-CD1 4.5Å; M198-I229 HydrophobicContact CE-CD1 3.91Å; M198-I229 HydrophobicContact CE-CG2 3.54Å; M198-I229 HydrophobicContact SD-CD1 3.89Å; M198-I229 HydrophobicContact SD-CG2 3.73Å; M198-Y232 HydrophobicContact SD-CD1 4.48Å; M198-L233 HydrophobicContact CE-CD1 4.01Å; M198-L233 HydrophobicContact SD-CD1 3.77Å; M198-L233 HydrophobicContact SD-CD2 3.68Å; M198-L233 HydrophobicContact SD-CG 3.72Å
199K98.3Very high97.3Very high68 Ų6846.9 Ų46.930%0.29623%0.233SC..Hα-helixtrans-60.2-38.1175.5-73.4170.6-178.9170.50112.2L195 D196 I197 K203 Y232L195-K199 HydrophobicContact CD1-CG 4.42Å; L195-K199 HydrophobicContact CG-CD 4.39Å; L195-K199 WeakPolarHBondContact O-CG 3.28Å; L195-K199 PolarHBondContact O-N 3.36Å; D196-K199 PolarHBondContact O-N 3.47Å; I197-K199 VanDerWaalsContact C-N 3.28Å; I197-K199 PolarHBondContact O-N 3.23Å; K199-K203 VanDerWaalsContact O-CG 3.32Å; K199-K203 WeakPolarHBondContact O-CG 3.49Å; K199-K203 PolarHBondContact O-N 3.46Å; K199-Y232 HydrophobicContact CD-CE2 4.4Å; K199-Y232 HydrophobicContact CG-CE1 3.91Å; K199-Y232 HydrophobicContact CG-CE2 4.1Å
200M98.3Very high97.2Very high33 Ų3352.9 Ų52.916%0.16326%0.256CS..Hα-helixtrans-66.6-47.3175.3-65.8-172.5-59.800111.3K162 K166 L169 D196 I197 M198 L202 K203 C204K162-M200 HydrophobicContact CG-CE 3.58Å; K162-M200 HydrophobicContact CG-SD 4.4Å; K166-M200 HydrophobicContact CB-CE 4.33Å; K166-M200 HydrophobicContact CB-SD 4.13Å; K166-M200 HydrophobicContact CG-SD 4.33Å; L169-M200 HydrophobicContact CD1-CB 4.44Å; D196-M200 WeakPolarHBondContact O-CG 3.3Å; D196-M200 PolarHBondContact O-N 3.06Å; I197-M200 HydrophobicContact CB-CE 4.19Å; I197-M200 HydrophobicContact CG1-CE 4.08Å; I197-M200 HydrophobicContact CG2-CE 4.16Å; I197-M200 WeakPolarHBondContact O-CA 3.48Å; I197-M200 WeakPolarHBondContact O-CB 3.36Å; I197-M200 PolarHBondContact O-N 3.24Å; M198-M200 VanDerWaalsContact C-N 3.29Å; M198-M200 PolarHBondContact O-N 3.48Å; M200-L202 VanDerWaalsContact C-N 3.33Å; M200-L202 PolarHBondContact O-N 3.46Å; M200-K203 WeakPolarHBondContact O-CB 3.45Å; M200-K203 PolarHBondContact O-N 2.92Å; M200-K203 VanDerWaalsContact O-N 3.12Å; M200-C204 PolarHBondContact O-N 3.36Å; M200-C204 PolarHBondContact O-SG 3.14Å
201L98.3Very high97.1Very high0 Ų053.8 Ų53.80%026%0.26CS..Hα-helixtrans-58-44.3178.5-63.4174.8000111.9L153 L169 V175 A185 L186 C189 I197 M198 K203 C204 N205 A206L153-L201 HydrophobicContact CD1-CD2 4.31Å; L153-L201 HydrophobicContact CD2-CD2 4.18Å; L153-L201 HydrophobicContact CG-CD2 4.49Å; L169-L201 HydrophobicContact CD1-CD2 3.94Å; L169-L201 HydrophobicContact CD2-CD2 4.09Å; L169-L201 HydrophobicContact CG-CD2 4.5Å; V175-L201 HydrophobicContact CG2-CB 4.09Å; V175-L201 HydrophobicContact CG2-CD2 3.53Å; V175-L201 HydrophobicContact CG2-CG 4.38Å; A185-L201 HydrophobicContact CB-CD1 3.82Å; A185-L201 HydrophobicContact CB-CD2 4.21Å; A185-L201 WeakPolarHBondContact O-CD1 3.23Å; L186-L201 HydrophobicContact CD2-CB 3.81Å; L186-L201 HydrophobicContact CD2-CD1 3.9Å; L186-L201 HydrophobicContact CG-CB 4.49Å; L186-L201 HydrophobicContact CG-CD1 4.31Å; C189-L201 WeakPolarHBondContact SG-CD1 3.27Å; I197-L201 HydrophobicContact CG2-CD1 4.47Å; I197-L201 HydrophobicContact CG2-CG 4.38Å; I197-L201 WeakPolarHBondContact O-CG 3.44Å; I197-L201 PolarHBondContact O-N 2.93Å; M198-L201 PolarHBondContact O-N 3.26Å; L201-K203 VanDerWaalsContact C-N 3.32Å; L201-K203 PolarHBondContact O-N 3.48Å; L201-C204 CarbonylContact O-C 3.5Å; L201-C204 WeakPolarHBondContact O-CA 3.45Å; L201-C204 WeakPolarHBondContact O-CB 3.31Å; L201-C204 PolarHBondContact O-N 2.93Å; L201-N205 PolarHBondContact O-N 3.39Å; L201-A206 HydrophobicContact CB-CB 3.88Å; L201-A206 WeakPolarHBondContact O-CB 3.38Å; L201-A206 PolarHBondContact O-N 2.9Å
202L96.8Very high96.9Very high35 Ų3553.9 Ų53.918%0.18328%0.278CS..Hα-helixtrans-64.4-35.8178-69.6169.5000112.5L186 M198 M200 C204 N205 M208 Y232 L233L186-L202 HydrophobicContact CD1-CD2 4.1Å; L186-L202 HydrophobicContact CD2-CD2 4.16Å; L186-L202 HydrophobicContact CD2-CG 4.1Å; M198-L202 HydrophobicContact CG-CD1 4.07Å; M198-L202 WeakPolarHBondContact O-CG 3.5Å; M198-L202 PolarHBondContact O-N 3.46Å; M200-L202 VanDerWaalsContact C-N 3.33Å; M200-L202 PolarHBondContact O-N 3.46Å; L202-C204 PolarHBondContact O-N 3.21Å; L202-N205 PolarHBondContact O-N 2.89Å; L202-N205 VanDerWaalsContact O-N 3.14Å; L202-M208 HydrophobicContact CD2-CG 4.38Å; L202-Y232 HydrophobicContact CD1-CE1 3.76Å; L202-L233 HydrophobicContact CD1-CD2 4.27Å
203K96.4Very high96.7Very high174 Ų17456.8 Ų56.876%0.75728%0.284SS*.Hα-helixtrans-64.8-30.4171.3-72.4174.2-179.3-175.70112.2K199 M200 L201 N205K199-K203 VanDerWaalsContact O-CG 3.32Å; K199-K203 WeakPolarHBondContact O-CG 3.49Å; K199-K203 PolarHBondContact O-N 3.46Å; M200-K203 WeakPolarHBondContact O-CB 3.45Å; M200-K203 PolarHBondContact O-N 2.92Å; M200-K203 VanDerWaalsContact O-N 3.12Å; L201-K203 VanDerWaalsContact C-N 3.32Å; L201-K203 PolarHBondContact O-N 3.48Å; K203-N205 PolarHBondContact O-N 2.97Å
204C96.4Very high96.5Very high58 Ų5857.6 Ų57.639%0.39229%0.292SS..THydrogen-bonded Turntrans-83.720.3173.2-62.60000113.3L169 V175 M200 L201 L202 A206L169-C204 HydrophobicContact CD2-CB 4.36Å; V175-C204 HydrophobicContact CG2-CB 4.43Å; M200-C204 PolarHBondContact O-N 3.36Å; M200-C204 PolarHBondContact O-SG 3.14Å; L201-C204 CarbonylContact O-C 3.5Å; L201-C204 WeakPolarHBondContact O-CA 3.45Å; L201-C204 WeakPolarHBondContact O-CB 3.31Å; L201-C204 PolarHBondContact O-N 2.93Å; L202-C204 PolarHBondContact O-N 3.21Å; C204-A206 VanDerWaalsContact C-N 3.33Å; C204-A206 PolarHBondContact O-N 3.15Å
205N95.3Very high96.5Very high116 Ų11657 Ų5762%0.6229%0.288SS*.THydrogen-bonded Turntrans61.931.4179.2-59.3-54.4000115N176 L201 L202 K203N176-N205 PolarHBondContact ND2-O 2.85Å; L201-N205 PolarHBondContact O-N 3.39Å; L202-N205 PolarHBondContact O-N 2.89Å; L202-N205 VanDerWaalsContact O-N 3.14Å; K203-N205 PolarHBondContact O-N 2.97Å
206A97Very high96.4Very high1 Ų156 Ų561%0.00828%0.282CS..  trans-59.8137.7167.800000111.4V175 N176 L186 L201 C204V175-A206 HydrophobicContact CG1-CB 4.32Å; V175-A206 HydrophobicContact CG2-CB 3.66Å; N176-A206 WeakPolarHBondContact OD1-CA 3.39Å; L186-A206 HydrophobicContact CD1-CB 3.62Å; L186-A206 HydrophobicContact CD2-CB 4.16Å; L186-A206 HydrophobicContact CG-CB 3.83Å; L201-A206 HydrophobicContact CB-CB 3.88Å; L201-A206 WeakPolarHBondContact O-CB 3.38Å; L201-A206 PolarHBondContact O-N 2.9Å; C204-A206 VanDerWaalsContact C-N 3.33Å; C204-A206 PolarHBondContact O-N 3.15Å
207R95.6Very high96.4Very high151 Ų15152.1 Ų52.157%0.5726%0.262SS*.  trans-98.8132.8-179.3-60177.9-171.8176.33.6110.8N176 L186 E209N176-R207 PolarHBondContact OD1-N 3.2Å; L186-R207 WeakPolarHBondContact CD1-O 3.41Å; R207-E209 HydrophobicContact CB-CG 3.75Å; R207-E209 VanDerWaalsContact CD-OE1 3.25Å; R207-E209 WeakPolarHBondContact CD-OE1 3.45Å; R207-E209 PolarHBondContact O-N 2.97Å; R207-E209 VanDerWaalsContact O-N 3.07Å
208M94.1Very high96.4Very high52 Ų5252.1 Ų52.126%0.25626%0.262SS..  trans-79.388172.7-64-172.4-57.900108.7L186 L202 L233 R238L186-M208 HydrophobicContact CD1-CG 4.12Å; L202-M208 HydrophobicContact CD2-CG 4.38Å; M208-L233 HydrophobicContact SD-CD2 3.88Å; M208-R238 HydrophobicContact CE-CB 3.65Å
209E93.9Very high96.3Very high56 Ų5652.6 Ų52.626%0.26227%0.265SS..  trans-105164.4-179-60-169.6-179.100111K178 H187 R207 P217K178-E209 WeakPolarHBondContact CE-OE2 3.46Å; K178-E209 IonicContact NZ-OE2 2.7Å; K178-E209 PolarHBondContact NZ-OE2 3Å; H187-E209 PolarHBondContact CE1-O 2.95Å; H187-E209 PolarHBondContact NE2-O 3.07Å; R207-E209 HydrophobicContact CB-CG 3.75Å; R207-E209 VanDerWaalsContact CD-OE1 3.25Å; R207-E209 WeakPolarHBondContact CD-OE1 3.45Å; R207-E209 PolarHBondContact O-N 2.97Å; R207-E209 VanDerWaalsContact O-N 3.07Å; E209-P217 WeakPolarHBondContact O-CD 3.29Å
210R96Very high96.3Very high127 Ų12749.7 Ų49.748%0.47925%0.253SS..  trans-84.1139.2173.1-68.3178.9-176.8-101.60.3110.9G214 M215 T216 E243R210-G214 WeakPolarHBondContact CD-O 3.31Å; R210-G214 WeakPolarHBondContact CG-O 3.49Å; R210-G214 PolarHBondContact NH1-O 2.98Å; R210-M215 CarbonylContact C-O 3.56Å; R210-M215 WeakPolarHBondContact CA-O 3.35Å; R210-T216 HydrophobicContact CG-CG2 3.72Å; R210-E243 IonicContact NH2-OE1 2.76Å; R210-E243 PolarHBondContact NH2-OE1 3.3Å
211D96.4Very high96.3Very high18 Ų1848.1 Ų48.110%0.09625%0.245CC..  trans-77.8-174169.477.9-0.9000111.8Y213 G214 M215D211-Y213 PolarHBondContact O-N 3.31Å; D211-Y213 WeakPolarHBondContact OD1-CA 3.38Å; D211-Y213 WeakPolarHBondContact OD1-CB 3.48Å; D211-Y213 PolarHBondContact OD1-N 3.32Å; D211-G214 PolarHBondContact O-N 3.3Å; D211-G214 PolarHBondContact OD1-N 2.96Å; D211-G214 VanDerWaalsContact OD1-N 3.1Å; D211-M215 PolarHBondContact N-O 3.47Å; D211-M215 WeakPolarHBondContact OD1-CB 3.37Å; D211-M215 PolarHBondContact OD1-N 2.95Å
212G94Very high96.4Very high62 Ų6248.1 Ų48.164%0.63925%0.245SC*.THydrogen-bonded Turntrans-68.6-13.5179.800000114.7K181K181-G212 WeakPolarHBondContact O-CA 3.17Å; K181-G212 PolarHBondContact O-N 3.21Å
213Y93.1Very high96.4Very high94 Ų9447 Ų4737%0.36924%0.24SC..THydrogen-bonded Turntrans-95.32.6170.5-59.6-66.1000112.2K181 D211 M215 P336K181-Y213 HydrophobicContact CD-CE2 4.32Å; K181-Y213 PolarHBondContact NZ-OH 3.08Å; K181-Y213 VanDerWaalsContact NZ-OH 3.11Å; D211-Y213 PolarHBondContact O-N 3.31Å; D211-Y213 WeakPolarHBondContact OD1-CA 3.38Å; D211-Y213 WeakPolarHBondContact OD1-CB 3.48Å; D211-Y213 PolarHBondContact OD1-N 3.32Å; Y213-M215 VanDerWaalsContact C-N 3.3Å; Y213-P336 HydrophobicContact CE1-CG 4.3Å
214G95.1Very high96.5Very high29 Ų2940.2 Ų40.230%0.29921%0.213SC..SBendtrans80.210.6-17600000113.7R210 D211R210-G214 WeakPolarHBondContact CD-O 3.31Å; R210-G214 WeakPolarHBondContact CG-O 3.49Å; R210-G214 PolarHBondContact NH1-O 2.98Å; D211-G214 PolarHBondContact O-N 3.3Å; D211-G214 PolarHBondContact OD1-N 2.96Å; D211-G214 VanDerWaalsContact OD1-N 3.1Å
215M96.8Very high96.5Very high7 Ų737.6 Ų37.63%0.03420%0.196CC..  trans-82.4132-176.5-61.2-64.5-74.500110.7H187 R210 D211 Y213 L219 V223 L331H187-M215 PolarHBondContact NE2-O 3.09Å; R210-M215 CarbonylContact C-O 3.56Å; R210-M215 WeakPolarHBondContact CA-O 3.35Å; D211-M215 PolarHBondContact N-O 3.47Å; D211-M215 WeakPolarHBondContact OD1-CB 3.37Å; D211-M215 PolarHBondContact OD1-N 2.95Å; Y213-M215 VanDerWaalsContact C-N 3.3Å; M215-L219 VanDerWaalsContact CE-C 3.48Å; M215-L219 HydrophobicContact CE-CB 3.55Å; M215-L219 HydrophobicContact SD-CB 4.12Å; M215-V223 HydrophobicContact CE-CB 4.4Å; M215-V223 HydrophobicContact CE-CG2 3.42Å; M215-V223 VanDerWaalsContact CE-CG2 3.42Å; M215-L331 HydrophobicContact CE-CD2 3.65Å; M215-L331 HydrophobicContact SD-CD2 3.47Å; M215-L331 WeakPolarHBondContact SD-CD2 3.4Å
216T97.3Very high96.7Very high9 Ų934.7 Ų34.76%0.05518%0.178CC..  trans-85.3163.2164.263.70000109.7R210 L218 L219 A220R210-T216 HydrophobicContact CG-CG2 3.72Å; T216-L218 PolarHBondContact O-N 3.21Å; T216-L218 VanDerWaalsContact O-N 3.12Å; T216-L219 PolarHBondContact O-N 3.32Å; T216-L219 PolarHBondContact OG1-N 3.23Å; T216-A220 PolarHBondContact O-N 3.47Å
217P98.1Very high96.7Very high1 Ų136.7 Ų36.71%0.00619%0.191CC..Hα-helixtrans-55.3-30.8171.6-27.935.6000113.2L186 A190 E209 A221 L233L186-P217 HydrophobicContact CB-CB 4.07Å; L186-P217 HydrophobicContact CB-CG 3.66Å; L186-P217 HydrophobicContact CD1-CG 4.49Å; A190-P217 HydrophobicContact CB-CB 4.18Å; A190-P217 WeakPolarHBondContact CB-O 3.4Å; E209-P217 WeakPolarHBondContact O-CD 3.29Å; P217-A221 PolarHBondContact O-N 3.04Å; P217-A221 VanDerWaalsContact O-N 3.07Å; P217-L233 HydrophobicContact CB-CD1 4.23Å
218L98.3Very high96.9Very high4 Ų432.7 Ų32.72%0.02118%0.18CC..Hα-helixtrans-66.7-48.1174.9172.661.7000111.8T216 A220 A221 S222 V230 L233 T239 A247T216-L218 PolarHBondContact O-N 3.21Å; T216-L218 VanDerWaalsContact O-N 3.12Å; L218-A220 VanDerWaalsContact C-N 3.35Å; L218-A221 WeakPolarHBondContact O-CB 3.4Å; L218-A221 PolarHBondContact O-N 3.33Å; L218-S222 PolarHBondContact O-N 3.11Å; L218-S222 VanDerWaalsContact O-N 3.13Å; L218-S222 PolarHBondContact O-OG 3.47Å; L218-V230 HydrophobicContact CD1-CB 4.34Å; L218-V230 HydrophobicContact CD1-CG1 4.07Å; L218-V230 HydrophobicContact CD1-CG2 4.4Å; L218-L233 HydrophobicContact CB-CB 4.27Å; L218-L233 HydrophobicContact CB-CD1 4.03Å; L218-L233 HydrophobicContact CD1-CB 3.82Å; L218-T239 HydrophobicContact CD2-CG2 3.41Å; L218-T239 VanDerWaalsContact CD2-CG2 3.41Å; L218-A247 HydrophobicContact CD1-CB 3.73Å; L218-A247 HydrophobicContact CD2-CB 3.69Å; L218-A247 HydrophobicContact CG-CB 3.48Å; L218-A247 VanDerWaalsContact CG-CB 3.48Å
219L98.1Very high97.1Very high10 Ų1030.2 Ų30.25%0.05217%0.168CC..Hα-helixtrans-65.8-38.8177.4-70.3174.2000111.6M215 T216 A221 S222 V223 D246 A247 L250 I330M215-L219 VanDerWaalsContact CE-C 3.48Å; M215-L219 HydrophobicContact CE-CB 3.55Å; M215-L219 HydrophobicContact SD-CB 4.12Å; T216-L219 PolarHBondContact O-N 3.32Å; T216-L219 PolarHBondContact OG1-N 3.23Å; L219-A221 VanDerWaalsContact C-N 3.31Å; L219-A221 PolarHBondContact O-N 3.24Å; L219-S222 WeakPolarHBondContact O-CB 3.35Å; L219-S222 PolarHBondContact O-N 3Å; L219-S222 VanDerWaalsContact O-N 3.12Å; L219-V223 WeakPolarHBondContact O-CG2 3.27Å; L219-V223 PolarHBondContact O-N 3.37Å; L219-D246 HydrophobicContact CD2-CB 4.42Å; L219-A247 HydrophobicContact CD2-CB 4.37Å; L219-L250 HydrophobicContact CD2-CD2 3.96Å; L219-I330 HydrophobicContact CD2-CG2 3.92Å
220A98.1Very high97.3Very high6 Ų627.5 Ų27.55%0.0516%0.156CC..Hα-helixtrans-57.6-45.3174.900000111.1A190 E191 T216 L218 S222 V223 T224A190-A220 HydrophobicContact CB-CB 4.16Å; E191-A220 HydrophobicContact CG-CB 4.35Å; T216-A220 PolarHBondContact O-N 3.47Å; L218-A220 VanDerWaalsContact C-N 3.35Å; A220-S222 VanDerWaalsContact C-N 3.32Å; A220-S222 PolarHBondContact O-N 3.18Å; A220-V223 PolarHBondContact O-N 3.07Å; A220-T224 PolarHBondContact O-N 3.03Å; A220-T224 PolarHBondContact O-OG1 3.21Å
221A98.4Very high97.3Very high0 Ų024.2 Ų24.20%015%0.146CC..Hα-helixtrans-60.4-40.6175.300000112.7A190 P217 L218 L219 T224 G225 H226 I229 V230A190-A221 HydrophobicContact CB-CB 4.03Å; P217-A221 PolarHBondContact O-N 3.04Å; P217-A221 VanDerWaalsContact O-N 3.07Å; L218-A221 WeakPolarHBondContact O-CB 3.4Å; L218-A221 PolarHBondContact O-N 3.33Å; L219-A221 VanDerWaalsContact C-N 3.31Å; L219-A221 PolarHBondContact O-N 3.24Å; A221-T224 WeakPolarHBondContact CA-OG1 3.46Å; A221-T224 PolarHBondContact O-N 3.37Å; A221-T224 PolarHBondContact O-OG1 3.42Å; A221-T224 VanDerWaalsContact O-OG1 3.13Å; A221-G225 PolarHBondContact O-N 3.39Å; A221-H226 PolarHBondContact O-N 2.77Å; A221-I229 HydrophobicContact CB-CB 3.71Å; A221-I229 HydrophobicContact CB-CG2 3.41Å; A221-I229 VanDerWaalsContact CB-CG2 3.41Å; A221-V230 HydrophobicContact CB-CG2 3.79Å
222S98.5Very high97.4Very high0 Ų026.7 Ų26.70%015%0.154CC..Hα-helixtrans-64.1-42.3175.9-68.70000112.9L218 L219 A220 G225 V230 A247 T254L218-S222 PolarHBondContact O-N 3.11Å; L218-S222 VanDerWaalsContact O-N 3.13Å; L218-S222 PolarHBondContact O-OG 3.47Å; L219-S222 WeakPolarHBondContact O-CB 3.35Å; L219-S222 PolarHBondContact O-N 3Å; L219-S222 VanDerWaalsContact O-N 3.12Å; A220-S222 VanDerWaalsContact C-N 3.32Å; A220-S222 PolarHBondContact O-N 3.18Å; S222-G225 PolarHBondContact O-N 3.34Å; S222-V230 WeakPolarHBondContact OG-CG2 3.49Å; S222-A247 WeakPolarHBondContact CB-O 3.29Å; S222-A247 PolarHBondContact OG-O 2.91Å; S222-T254 VanDerWaalsContact O-CB 3.29Å; S222-T254 WeakPolarHBondContact O-CB 3.22Å; S222-T254 PolarHBondContact O-OG1 3.42Å
223V98Very high97.5Very high13 Ų1323.8 Ų23.88%0.07912%0.124CC..Hα-helixtrans-60.4-46.5173.41710000111M215 L219 A220 G225 L250 T254 L331 D337M215-V223 HydrophobicContact CE-CB 4.4Å; M215-V223 HydrophobicContact CE-CG2 3.42Å; M215-V223 VanDerWaalsContact CE-CG2 3.42Å; L219-V223 WeakPolarHBondContact O-CG2 3.27Å; L219-V223 PolarHBondContact O-N 3.37Å; A220-V223 PolarHBondContact O-N 3.07Å; V223-G225 VanDerWaalsContact C-N 3.31Å; V223-G225 PolarHBondContact O-N 3.28Å; V223-L250 HydrophobicContact CG2-CD2 3.76Å; V223-L250 HydrophobicContact CG2-CG 4.39Å; V223-T254 VanDerWaalsContact O-CG2 3.31Å; V223-T254 WeakPolarHBondContact O-CG2 3.47Å; V223-T254 PolarHBondContact O-OG1 3.2Å; V223-L331 HydrophobicContact CG2-CD1 4.07Å; V223-L331 HydrophobicContact CG2-CD2 3.94Å; V223-D337 WeakPolarHBondContact CG1-OD2 3.34Å
224T97.1Very high97.6Very high30 Ų3019.6 Ų19.618%0.18411%0.109CC..Hα-helixtrans-76.3-20.3-178.452.10000113.7A190 E191 A220 A221 H226 K258A190-T224 PolarHBondContact O-OG1 3.1Å; E191-T224 HydrophobicContact CB-CG2 4.15Å; E191-T224 HydrophobicContact CG-CG2 4.1Å; A220-T224 PolarHBondContact O-N 3.03Å; A220-T224 PolarHBondContact O-OG1 3.21Å; A221-T224 WeakPolarHBondContact CA-OG1 3.46Å; A221-T224 PolarHBondContact O-N 3.37Å; A221-T224 PolarHBondContact O-OG1 3.42Å; A221-T224 VanDerWaalsContact O-OG1 3.13Å; T224-H226 PolarHBondContact OG1-CD2 3.08Å; T224-K258 PolarHBondContact O-NZ 3.43Å
225G97.7Very high97.5Very high3 Ų324.2 Ų24.23%0.03112%0.123CC..THydrogen-bonded Turntrans88.822.8177.300000114.8A221 S222 V223 T227 K259A221-G225 PolarHBondContact O-N 3.39Å; S222-G225 PolarHBondContact O-N 3.34Å; V223-G225 VanDerWaalsContact C-N 3.31Å; V223-G225 PolarHBondContact O-N 3.28Å; G225-T227 PolarHBondContact O-N 3.37Å; G225-K259 VanDerWaalsContact O-CE 3.28Å; G225-K259 WeakPolarHBondContact O-CE 3.49Å; G225-K259 PolarHBondContact O-NZ 3.24Å
226H98.4Very high97.2Very high55 Ų5526 Ų2626%0.25513%0.131SC..  trans-86.587-177.1-69.8-53.8000111.1A190 E191 G193 A221 T224 N228 I229 V230A190-H226 PolarHBondContact O-CD2 3.16Å; E191-H226 PolarHBondContact O-CD2 3.21Å; E191-H226 VanDerWaalsContact O-CD2 3.24Å; E191-H226 PolarHBondContact O-NE2 3.44Å; G193-H226 PolarHBondContact N-CD2 3Å; A221-H226 PolarHBondContact O-N 2.77Å; T224-H226 PolarHBondContact OG1-CD2 3.08Å; H226-N228 VanDerWaalsContact C-N 3.31Å; H226-N228 PolarHBondContact O-N 2.84Å; H226-I229 HydrophobicContact CB-CB 4.41Å; H226-I229 HydrophobicContact CB-CG1 4.14Å; H226-I229 PolarHBondContact O-N 3.41Å; H226-I229 VanDerWaalsContact O-N 3.16Å; H226-V230 PolarHBondContact O-N 3.24Å
227T98.3Very high96.8Very high44 Ų4431 Ų3127%0.2716%0.163SC..Hα-helixtrans-61.8-36.6-172.256.60000112.9G225 I229 V230 E231 L251 F255 Y268G225-T227 PolarHBondContact O-N 3.37Å; T227-I229 VanDerWaalsContact C-N 3.27Å; T227-I229 PolarHBondContact O-N 3.06Å; T227-V230 PolarHBondContact O-N 3.02Å; T227-E231 WeakPolarHBondContact O-CB 3.44Å; T227-E231 VanDerWaalsContact O-CG 3.31Å; T227-E231 WeakPolarHBondContact O-CG 3.5Å; T227-E231 PolarHBondContact O-N 3.46Å; T227-L251 HydrophobicContact CG2-CD1 4.4Å; T227-L251 HydrophobicContact CG2-CD2 4.29Å; T227-F255 HydrophobicContact CG2-CE2 3.63Å; T227-F255 HydrophobicContact CG2-CZ 3.62Å; T227-Y268 WeakPolarHBondContact CG2-OH 3.24Å
228N98.4Very high96.2Very high66 Ų6639.5 Ų39.535%0.35320%0.195SC..Hα-helixtrans-58.6-37.4176.962.1-25.1000112.7G193 L195 H226 Y232G193-N228 PolarHBondContact O-ND2 3.46Å; L195-N228 HydrophobicContact CD2-CB 4.29Å; H226-N228 VanDerWaalsContact C-N 3.31Å; H226-N228 PolarHBondContact O-N 2.84Å; N228-Y232 WeakPolarHBondContact O-CB 3.46Å; N228-Y232 PolarHBondContact O-N 3.4Å
229I98.5Very high96Very high0 Ų039.5 Ų39.50%020%0.196CC..Hα-helixtrans-73.4-47.9175.4-59.4-64000110.5A190 L195 M198 A221 H226 T227 E231 Y232 L233A190-I229 HydrophobicContact CB-CG2 4.28Å; L195-I229 VanDerWaalsContact CA-CD1 3.47Å; L195-I229 HydrophobicContact CB-CD1 3.79Å; L195-I229 HydrophobicContact CD1-CD1 4.04Å; M198-I229 HydrophobicContact CB-CD1 4.5Å; M198-I229 HydrophobicContact CE-CD1 3.91Å; M198-I229 HydrophobicContact CE-CG2 3.54Å; M198-I229 HydrophobicContact SD-CD1 3.89Å; M198-I229 HydrophobicContact SD-CG2 3.73Å; A221-I229 HydrophobicContact CB-CB 3.71Å; A221-I229 HydrophobicContact CB-CG2 3.41Å; A221-I229 VanDerWaalsContact CB-CG2 3.41Å; H226-I229 HydrophobicContact CB-CB 4.41Å; H226-I229 HydrophobicContact CB-CG1 4.14Å; H226-I229 PolarHBondContact O-N 3.41Å; H226-I229 VanDerWaalsContact O-N 3.16Å; T227-I229 VanDerWaalsContact C-N 3.27Å; T227-I229 PolarHBondContact O-N 3.06Å; I229-E231 VanDerWaalsContact C-N 3.34Å; I229-E231 PolarHBondContact O-N 3.26Å; I229-Y232 PolarHBondContact O-N 2.97Å; I229-Y232 VanDerWaalsContact O-N 3.16Å; I229-L233 HydrophobicContact CG2-CD1 3.71Å; I229-L233 HydrophobicContact CG2-CG 4.08Å; I229-L233 WeakPolarHBondContact O-CB 3.3Å; I229-L233 PolarHBondContact O-N 3.47Å
230V98.3Very high95.7Very high0 Ų041.4 Ų41.40%021%0.21CC..Hα-helixtrans-58.1-47.9-180175.60000110.7L218 A221 S222 H226 T227 Y232 L233 A234 L248 L251L218-V230 HydrophobicContact CD1-CB 4.34Å; L218-V230 HydrophobicContact CD1-CG1 4.07Å; L218-V230 HydrophobicContact CD1-CG2 4.4Å; A221-V230 HydrophobicContact CB-CG2 3.79Å; S222-V230 WeakPolarHBondContact OG-CG2 3.49Å; H226-V230 PolarHBondContact O-N 3.24Å; T227-V230 PolarHBondContact O-N 3.02Å; V230-Y232 VanDerWaalsContact C-N 3.32Å; V230-Y232 PolarHBondContact O-N 3.22Å; V230-L233 PolarHBondContact O-N 3.45Å; V230-A234 WeakPolarHBondContact O-CB 2.95Å; V230-A234 PolarHBondContact O-N 3.4Å; V230-L248 HydrophobicContact CG1-CD2 4.39Å; V230-L251 HydrophobicContact CB-CD2 4.13Å; V230-L251 HydrophobicContact CG1-CD2 3.9Å; V230-L251 HydrophobicContact CG2-CD2 4.2Å
231E97.4Very high95.4Very high58 Ų5845.4 Ų45.427%0.27122%0.223SC..Hα-helixtrans-60.2-42177.3-70.3-57.2158.600111.9T227 I229 H235 R271T227-E231 WeakPolarHBondContact O-CB 3.44Å; T227-E231 VanDerWaalsContact O-CG 3.31Å; T227-E231 WeakPolarHBondContact O-CG 3.5Å; T227-E231 PolarHBondContact O-N 3.46Å; I229-E231 VanDerWaalsContact C-N 3.34Å; I229-E231 PolarHBondContact O-N 3.26Å; E231-H235 PolarHBondContact O-ND1 2.97Å; E231-H235 IonicContact OE2-CE1 2.71Å; E231-R271 IonicContact OE1-CZ 3.65Å; E231-R271 IonicContact OE1-NH1 2.69Å; E231-R271 PolarHBondContact OE1-NH1 3.19Å; E231-R271 IonicContact OE2-CZ 2.73Å; E231-R271 IonicContact OE2-NH1 2.72Å; E231-R271 PolarHBondContact OE2-NH1 2.85Å; E231-R271 IonicContact OE2-NH2 3.09Å; E231-R271 PolarHBondContact OE2-NH2 2.93Å
232Y97.8Very high95.1Very high69 Ų6951.1 Ų51.127%0.27125%0.25SS..Hα-helixtrans-69.1-45.2180-179.6-104.9000112.7L195 M198 K199 L202 N228 I229 V230 H235 Q236L195-Y232 HydrophobicContact CD1-CD1 3.64Å; L195-Y232 HydrophobicContact CD1-CD2 4.23Å; L195-Y232 HydrophobicContact CD1-CE1 4.43Å; L195-Y232 HydrophobicContact CD1-CG 3.52Å; M198-Y232 HydrophobicContact SD-CD1 4.48Å; K199-Y232 HydrophobicContact CD-CE2 4.4Å; K199-Y232 HydrophobicContact CG-CE1 3.91Å; K199-Y232 HydrophobicContact CG-CE2 4.1Å; L202-Y232 HydrophobicContact CD1-CE1 3.76Å; N228-Y232 WeakPolarHBondContact O-CB 3.46Å; N228-Y232 PolarHBondContact O-N 3.4Å; I229-Y232 PolarHBondContact O-N 2.97Å; I229-Y232 VanDerWaalsContact O-N 3.16Å; V230-Y232 VanDerWaalsContact C-N 3.32Å; V230-Y232 PolarHBondContact O-N 3.22Å; Y232-H235 PolarHBondContact O-N 3.21Å; Y232-Q236 VanDerWaalsContact CE1-NE2 3.31Å; Y232-Q236 PolarHBondContact O-NE2 2.98Å; Y232-Q236 PolarHBondContact OH-NE2 3.15Å
233L96.7Very high94.9Very high1 Ų153.4 Ų53.41%0.00526%0.261CS..Hα-helixtrans-73.7-31.4-178.1-71.5-173.9000112.7M198 L202 M208 P217 L218 I229 V230 H235 Q236 T239M198-L233 HydrophobicContact CE-CD1 4.01Å; M198-L233 HydrophobicContact SD-CD1 3.77Å; M198-L233 HydrophobicContact SD-CD2 3.68Å; M198-L233 HydrophobicContact SD-CG 3.72Å; L202-L233 HydrophobicContact CD1-CD2 4.27Å; M208-L233 HydrophobicContact SD-CD2 3.88Å; P217-L233 HydrophobicContact CB-CD1 4.23Å; L218-L233 HydrophobicContact CB-CB 4.27Å; L218-L233 HydrophobicContact CB-CD1 4.03Å; L218-L233 HydrophobicContact CD1-CB 3.82Å; I229-L233 HydrophobicContact CG2-CD1 3.71Å; I229-L233 HydrophobicContact CG2-CG 4.08Å; I229-L233 WeakPolarHBondContact O-CB 3.3Å; I229-L233 PolarHBondContact O-N 3.47Å; V230-L233 PolarHBondContact O-N 3.45Å; L233-H235 PolarHBondContact O-N 3.5Å; L233-Q236 HydrophobicContact CD2-CG 4.05Å; L233-Q236 WeakPolarHBondContact O-CB 3.35Å; L233-Q236 PolarHBondContact O-N 2.97Å; L233-Q236 VanDerWaalsContact O-N 3.09Å; L233-T239 PolarHBondContact O-OG1 3Å
234A94.2Very high94.8Very high6 Ų656 Ų565%0.0527%0.269CS..Hα-helixtrans-65.2-24.5175.500000113V230 R244V230-A234 WeakPolarHBondContact O-CB 2.95Å; V230-A234 PolarHBondContact O-N 3.4Å; A234-R244 HydrophobicContact CB-CG 4.22Å; A234-R244 WeakPolarHBondContact O-CD 3.31Å; A234-R244 PolarHBondContact O-NE 3.22Å; A234-R244 PolarHBondContact O-NH1 3.4Å
235H92.4Very high94.8Very high127 Ų12754.7 Ų54.759%0.58826%0.261SS*.THydrogen-bonded Turntrans-93.20.2175.1-65.790000113.4E231 Y232 L233 R271E231-H235 PolarHBondContact O-ND1 2.97Å; E231-H235 IonicContact OE2-CE1 2.71Å; Y232-H235 PolarHBondContact O-N 3.21Å; L233-H235 PolarHBondContact O-N 3.5Å; H235-R271 PolarHBondContact CE1-NH2 3.21Å; H235-R271 VanDerWaalsContact CE1-NH2 3.34Å
236Q92.2Very high94.7Very high43 Ų4356.7 Ų56.720%0.20127%0.271CS..SBendtrans-70.6137.9176-66.5-59-4100110.8Y232 L233 R238 T239 R244Y232-Q236 VanDerWaalsContact CE1-NE2 3.31Å; Y232-Q236 PolarHBondContact O-NE2 2.98Å; Y232-Q236 PolarHBondContact OH-NE2 3.15Å; L233-Q236 HydrophobicContact CD2-CG 4.05Å; L233-Q236 WeakPolarHBondContact O-CB 3.35Å; L233-Q236 PolarHBondContact O-N 2.97Å; L233-Q236 VanDerWaalsContact O-N 3.09Å; Q236-R238 PolarHBondContact O-N 3.33Å; Q236-R238 VanDerWaalsContact O-N 3.15Å; Q236-T239 PolarHBondContact O-N 3.26Å; Q236-T239 VanDerWaalsContact O-N 3.15Å; Q236-R244 PolarHBondContact O-NH2 3.27Å
237P87.8Confident94.7Very high115 Ų11554.1 Ų54.175%0.74726%0.259SS*.THydrogen-bonded Turntrans-64.2-23.5-177.725.7-34.2000112.9
238R86.3Confident94.7Very high179 Ų17952 Ų5268%0.67525%0.246SC*.THydrogen-bonded Turntrans-79.9-15.4179.8-68.7-177.1177.2169.8-0.1114M208 Q236M208-R238 HydrophobicContact CE-CB 3.65Å; Q236-R238 PolarHBondContact O-N 3.33Å; Q236-R238 VanDerWaalsContact O-N 3.15Å
239T92.6Very high94.7Very high5 Ų549.1 Ų49.13%0.03123%0.231CC..SBendtrans-84.1123-178.8-49.90000109.5L218 L233 Q236 E243 R244L218-T239 HydrophobicContact CD2-CG2 3.41Å; L218-T239 VanDerWaalsContact CD2-CG2 3.41Å; L233-T239 PolarHBondContact O-OG1 3Å; Q236-T239 PolarHBondContact O-N 3.26Å; Q236-T239 VanDerWaalsContact O-N 3.15Å; T239-E243 HydrophobicContact CG2-CB 3.97Å; T239-R244 HydrophobicContact CG2-CG 3.68Å; T239-R244 PolarHBondContact O-NE 2.79Å; T239-R244 PolarHBondContact O-NH2 3.47Å
240S92.7Very high94.7Very high49 Ų4949.1 Ų49.134%0.34323%0.231SC..  trans-67.5161.5-179.687.20000111.6E242 E243 R244S240-E242 VanDerWaalsContact C-N 3.31Å; S240-E242 PolarHBondContact O-N 3.14Å; S240-E242 PolarHBondContact OG-N 3.33Å; S240-E243 PolarHBondContact N-OE2 3.14Å; S240-E243 VanDerWaalsContact N-OE2 3.17Å; S240-E243 PolarHBondContact O-N 2.93Å; S240-E243 WeakPolarHBondContact OG-CG 3.45Å; S240-E243 PolarHBondContact OG-N 3.36Å; S240-R244 VanDerWaalsContact O-CG 3.26Å; S240-R244 WeakPolarHBondContact O-CG 3.36Å; S240-R244 PolarHBondContact O-N 3.33Å; S240-R244 VanDerWaalsContact O-N 3.16Å
241R91.9Very high94.7Very high90 Ų9049.1 Ų49.134%0.3423%0.231SC..Hα-helixtrans-62.1-40.8175.6-176.7175.659.4169.11.1111.5R244 I245 V278 G283 L285R241-R244 PolarHBondContact O-N 3.18Å; R241-I245 HydrophobicContact CG-CD1 3.95Å; R241-I245 WeakPolarHBondContact O-CD1 3.44Å; R241-I245 VanDerWaalsContact O-CG1 3.32Å; R241-I245 WeakPolarHBondContact O-CG1 3.49Å; R241-I245 PolarHBondContact O-N 2.89Å; R241-I245 VanDerWaalsContact O-N 3.1Å; R241-V278 PolarHBondContact NH1-O 3.02Å; R241-G283 VanDerWaalsContact CZ-O 3.26Å; R241-G283 PolarHBondContact NH1-O 2.93Å; R241-G283 PolarHBondContact NH2-O 3.04Å; R241-L285 HydrophobicContact CB-CD1 4.43Å; R241-L285 HydrophobicContact CG-CD1 4.01Å
242E92.7Very high94.7Very high120 Ų12046.4 Ų46.456%0.56122%0.218SC*.Hα-helixtrans-61.1-47177.1-70.2169.3-172.500111.5S240 R244 I245 D246 L285S240-E242 VanDerWaalsContact C-N 3.31Å; S240-E242 PolarHBondContact O-N 3.14Å; S240-E242 PolarHBondContact OG-N 3.33Å; E242-R244 VanDerWaalsContact C-N 3.28Å; E242-R244 PolarHBondContact O-N 3.49Å; E242-I245 PolarHBondContact O-N 3.42Å; E242-I245 VanDerWaalsContact O-N 3.12Å; E242-D246 PolarHBondContact O-N 3.15Å; E242-L285 HydrophobicContact CG-CD1 3.63Å; E242-L285 HydrophobicContact CG-CD2 4.27Å
243E93.9Very high94.7Very high48 Ų4843.1 Ų43.122%0.22421%0.205CC..Hα-helixtrans-63-34.7179-72.4177.3144.400112.5R210 T239 S240 A247R210-E243 IonicContact NH2-OE1 2.76Å; R210-E243 PolarHBondContact NH2-OE1 3.3Å; T239-E243 HydrophobicContact CG2-CB 3.97Å; S240-E243 PolarHBondContact N-OE2 3.14Å; S240-E243 VanDerWaalsContact N-OE2 3.17Å; S240-E243 PolarHBondContact O-N 2.93Å; S240-E243 WeakPolarHBondContact OG-CG 3.45Å; S240-E243 PolarHBondContact OG-N 3.36Å; E243-A247 WeakPolarHBondContact O-CB 3.43Å; E243-A247 PolarHBondContact O-N 3.3Å
244R95.9Very high94.8Very high69 Ų6943 Ų4326%0.2621%0.205SC..Hα-helixtrans-65.9-43.9174.4-66168-159.3-155.3-2111.4A234 Q236 T239 S240 R241 E242 A247 L248A234-R244 HydrophobicContact CB-CG 4.22Å; A234-R244 WeakPolarHBondContact O-CD 3.31Å; A234-R244 PolarHBondContact O-NE 3.22Å; A234-R244 PolarHBondContact O-NH1 3.4Å; Q236-R244 PolarHBondContact O-NH2 3.27Å; T239-R244 HydrophobicContact CG2-CG 3.68Å; T239-R244 PolarHBondContact O-NE 2.79Å; T239-R244 PolarHBondContact O-NH2 3.47Å; S240-R244 VanDerWaalsContact O-CG 3.26Å; S240-R244 WeakPolarHBondContact O-CG 3.36Å; S240-R244 PolarHBondContact O-N 3.33Å; S240-R244 VanDerWaalsContact O-N 3.16Å; R241-R244 PolarHBondContact O-N 3.18Å; E242-R244 VanDerWaalsContact C-N 3.28Å; E242-R244 PolarHBondContact O-N 3.49Å; R244-A247 PolarHBondContact O-N 3.38Å; R244-L248 WeakPolarHBondContact O-CB 2.8Å; R244-L248 VanDerWaalsContact O-CG 3.25Å; R244-L248 WeakPolarHBondContact O-CG 3.36Å; R244-L248 PolarHBondContact O-N 3.43Å
245I96.1Very high95Very high1 Ų143.5 Ų43.51%0.00521%0.205CC..Hα-helixtrans-62.6-52.7179.4-70161.2000109.4R241 E242 A247 L248 E249 A272 L275 R276 L285R241-I245 HydrophobicContact CG-CD1 3.95Å; R241-I245 WeakPolarHBondContact O-CD1 3.44Å; R241-I245 VanDerWaalsContact O-CG1 3.32Å; R241-I245 WeakPolarHBondContact O-CG1 3.49Å; R241-I245 PolarHBondContact O-N 2.89Å; R241-I245 VanDerWaalsContact O-N 3.1Å; E242-I245 PolarHBondContact O-N 3.42Å; E242-I245 VanDerWaalsContact O-N 3.12Å; I245-A247 VanDerWaalsContact C-N 3.3Å; I245-A247 PolarHBondContact O-N 3.3Å; I245-L248 PolarHBondContact O-N 2.86Å; I245-L248 VanDerWaalsContact O-N 3.14Å; I245-E249 HydrophobicContact CG2-CG 4.39Å; I245-E249 WeakPolarHBondContact O-CG 3.48Å; I245-E249 PolarHBondContact O-N 3.21Å; I245-A272 HydrophobicContact CG2-CB 4.38Å; I245-L275 HydrophobicContact CD1-CB 4.2Å; I245-L275 HydrophobicContact CG1-CB 3.74Å; I245-L275 HydrophobicContact CG1-CD1 4.47Å; I245-R276 HydrophobicContact CD1-CG 3.81Å; I245-R276 HydrophobicContact CG1-CG 4.32Å; I245-R276 HydrophobicContact CG2-CG 3.87Å; I245-R276 VanDerWaalsContact CG2-CZ 3.43Å; I245-L285 HydrophobicContact CD1-CB 4.5Å; I245-L285 HydrophobicContact CD1-CD1 3.71Å
246D96.6Very high95.2Very high46 Ų4637.6 Ų37.625%0.24618%0.179CC..Hα-helixtrans-60.2-41.3178.9-74.4-22.6000111.2L219 E242 L248 E249 L250 R329 I330L219-D246 HydrophobicContact CD2-CB 4.42Å; E242-D246 PolarHBondContact O-N 3.15Å; D246-L248 PolarHBondContact O-N 2.91Å; D246-E249 PolarHBondContact O-N 2.94Å; D246-L250 WeakPolarHBondContact O-CB 3.35Å; D246-L250 PolarHBondContact O-N 2.98Å; D246-R329 IonicContact OD1-NH1 3.83Å; D246-R329 PolarHBondContact OD1-NH1 2.87Å; D246-I330 HydrophobicContact CB-CD1 3.96Å; D246-I330 HydrophobicContact CB-CG1 4.25Å; D246-I330 HydrophobicContact CB-CG2 4.23Å; D246-I330 VanDerWaalsContact O-CD1 3.32Å; D246-I330 WeakPolarHBondContact O-CD1 3.14Å
247A98Very high95.4Very high0 Ų035.6 Ų35.60%017%0.169CC..Hα-helixtrans-62.1-40176.700000113.1L218 L219 S222 E243 R244 I245 L251L218-A247 HydrophobicContact CD1-CB 3.73Å; L218-A247 HydrophobicContact CD2-CB 3.69Å; L218-A247 HydrophobicContact CG-CB 3.48Å; L218-A247 VanDerWaalsContact CG-CB 3.48Å; L219-A247 HydrophobicContact CD2-CB 4.37Å; S222-A247 WeakPolarHBondContact CB-O 3.29Å; S222-A247 PolarHBondContact OG-O 2.91Å; E243-A247 WeakPolarHBondContact O-CB 3.43Å; E243-A247 PolarHBondContact O-N 3.3Å; R244-A247 PolarHBondContact O-N 3.38Å; I245-A247 VanDerWaalsContact C-N 3.3Å; I245-A247 PolarHBondContact O-N 3.3Å; A247-L251 WeakPolarHBondContact O-CB 3.06Å; A247-L251 PolarHBondContact O-N 3.18Å
248L98.3Very high95.7Very high1 Ų135.2 Ų35.21%0.00516%0.156CC..Hα-helixtrans-71.6-41.5177.4-70.9168.4000111.8V230 R244 I245 D246 L251 G252 Y268 R271 A272 L275V230-L248 HydrophobicContact CG1-CD2 4.39Å; R244-L248 WeakPolarHBondContact O-CB 2.8Å; R244-L248 VanDerWaalsContact O-CG 3.25Å; R244-L248 WeakPolarHBondContact O-CG 3.36Å; R244-L248 PolarHBondContact O-N 3.43Å; I245-L248 PolarHBondContact O-N 2.86Å; I245-L248 VanDerWaalsContact O-N 3.14Å; D246-L248 PolarHBondContact O-N 2.91Å; L248-L251 PolarHBondContact O-N 3.42Å; L248-G252 PolarHBondContact O-N 3.33Å; L248-Y268 HydrophobicContact CD2-CD1 3.8Å; L248-Y268 HydrophobicContact CD2-CE1 4.49Å; L248-R271 HydrophobicContact CD1-CG 4.1Å; L248-A272 HydrophobicContact CB-CB 3.92Å; L248-L275 HydrophobicContact CD1-CD1 3.53Å
249E98.1Very high96.1Very high5 Ų531 Ų312%0.02314%0.143CC..Hα-helixtrans-60.9-48.2175.9-71.4176.5161.800111I245 D246 G252 A253 W269 A272 R276 K287 V326 R329 I330I245-E249 HydrophobicContact CG2-CG 4.39Å; I245-E249 WeakPolarHBondContact O-CG 3.48Å; I245-E249 PolarHBondContact O-N 3.21Å; D246-E249 PolarHBondContact O-N 2.94Å; E249-G252 PolarHBondContact O-N 3Å; E249-A253 PolarHBondContact O-N 2.96Å; E249-W269 PolarHBondContact O-NE1 2.94Å; E249-A272 HydrophobicContact CG-CB 3.62Å; E249-R276 VanDerWaalsContact CD-NH2 3.32Å; E249-R276 IonicContact OE1-CZ 2.81Å; E249-R276 VanDerWaalsContact OE1-CZ 3.32Å; E249-R276 IonicContact OE1-NE 3.72Å; E249-R276 PolarHBondContact OE1-NE 2.83Å; E249-R276 IonicContact OE1-NH2 3.61Å; E249-R276 PolarHBondContact OE1-NH2 3.28Å; E249-R276 IonicContact OE2-CZ 2.77Å; E249-R276 IonicContact OE2-NH2 3.72Å; E249-R276 PolarHBondContact OE2-NH2 3.34Å; E249-K287 WeakPolarHBondContact OE1-CE 3.12Å; E249-V326 HydrophobicContact CB-CG1 3.85Å; E249-R329 IonicContact OE2-CZ 3.47Å; E249-R329 IonicContact OE2-NH1 3.45Å; E249-R329 PolarHBondContact OE2-NH1 2.89Å; E249-R329 IonicContact OE2-NH2 3.49Å; E249-R329 PolarHBondContact OE2-NH2 3.26Å; E249-I330 HydrophobicContact CB-CD1 4.05Å
250L98.4Very high96.2Very high0 Ų039.7 Ų39.70%018%0.175CC..Hα-helixtrans-64.6-39.1176.8-176.961.6000112.3L219 V223 D246 G252 A253 T254 R327 I330 L331L219-L250 HydrophobicContact CD2-CD2 3.96Å; V223-L250 HydrophobicContact CG2-CD2 3.76Å; V223-L250 HydrophobicContact CG2-CG 4.39Å; D246-L250 WeakPolarHBondContact O-CB 3.35Å; D246-L250 PolarHBondContact O-N 2.98Å; L250-G252 VanDerWaalsContact C-N 3.3Å; L250-G252 PolarHBondContact O-N 3.39Å; L250-A253 WeakPolarHBondContact O-CB 3.39Å; L250-A253 PolarHBondContact O-N 3.38Å; L250-T254 PolarHBondContact O-N 3.11Å; L250-T254 PolarHBondContact O-OG1 3.44Å; L250-R327 HydrophobicContact CD1-CB 4.49Å; L250-R327 HydrophobicContact CD1-CG 4.37Å; L250-I330 HydrophobicContact CB-CD1 3.95Å; L250-I330 HydrophobicContact CB-CG2 4.48Å; L250-I330 HydrophobicContact CD2-CG2 4.03Å; L250-L331 HydrophobicContact CD1-CD1 4.29Å; L250-L331 HydrophobicContact CD1-CD2 4.31Å; L250-L331 HydrophobicContact CD1-CG 4.12Å; L250-L331 HydrophobicContact CD2-CD2 3.71Å; L250-L331 HydrophobicContact CD2-CG 4.41Å
251L98.5Very high96.4Very high0 Ų040.2 Ų40.20%017%0.174CC..Hα-helixtrans-62-41.2173.9179.662.5000110.8T227 V230 A247 L248 A253 T254 F255 Y268T227-L251 HydrophobicContact CG2-CD1 4.4Å; T227-L251 HydrophobicContact CG2-CD2 4.29Å; V230-L251 HydrophobicContact CB-CD2 4.13Å; V230-L251 HydrophobicContact CG1-CD2 3.9Å; V230-L251 HydrophobicContact CG2-CD2 4.2Å; A247-L251 WeakPolarHBondContact O-CB 3.06Å; A247-L251 PolarHBondContact O-N 3.18Å; L248-L251 PolarHBondContact O-N 3.42Å; L251-A253 VanDerWaalsContact C-N 3.35Å; L251-A253 PolarHBondContact O-N 3.24Å; L251-T254 WeakPolarHBondContact O-CB 3.44Å; L251-T254 PolarHBondContact O-N 3.15Å; L251-F255 HydrophobicContact CD1-CD2 3.92Å; L251-F255 HydrophobicContact CD1-CE2 3.74Å; L251-F255 HydrophobicContact CG-CD2 4.1Å; L251-F255 HydrophobicContact CG-CE2 4.06Å; L251-F255 VanDerWaalsContact O-CD2 3.31Å; L251-F255 WeakPolarHBondContact O-CD2 3.22Å; L251-F255 PolarHBondContact O-N 3.21Å; L251-Y268 HydrophobicContact CD2-CD1 3.79Å; L251-Y268 HydrophobicContact CD2-CD2 4.1Å; L251-Y268 HydrophobicContact CD2-CE1 3.57Å; L251-Y268 HydrophobicContact CD2-CE2 3.92Å; L251-Y268 HydrophobicContact CD2-CG 4.05Å; L251-Y268 HydrophobicContact CG-CD2 4.1Å; L251-Y268 HydrophobicContact CG-CE2 4.16Å; L251-Y268 HydrophobicContact CG-CG 4.31Å
252G98.2Very high96.5Very high0 Ų038.2 Ų38.20%017%0.17CC..Hα-helixtrans-58.9-44.9172.900000112.1L248 E249 L250 T254 F255 V256 A265L248-G252 PolarHBondContact O-N 3.33Å; E249-G252 PolarHBondContact O-N 3Å; L250-G252 VanDerWaalsContact C-N 3.3Å; L250-G252 PolarHBondContact O-N 3.39Å; G252-T254 VanDerWaalsContact C-N 3.32Å; G252-T254 PolarHBondContact O-N 3.32Å; G252-F255 WeakPolarHBondContact O-CB 3.4Å; G252-F255 PolarHBondContact O-N 3Å; G252-V256 PolarHBondContact O-N 3.01Å; G252-A265 VanDerWaalsContact O-CB 3.23Å; G252-A265 WeakPolarHBondContact O-CB 3.49Å
253A98.2Very high96.7Very high0 Ų037.7 Ų37.70%017%0.17CC..Hα-helixtrans-61.1-38.6173.900000112.6E249 L250 L251 F255 V256 D257 A323 V326 R327E249-A253 PolarHBondContact O-N 2.96Å; L250-A253 WeakPolarHBondContact O-CB 3.39Å; L250-A253 PolarHBondContact O-N 3.38Å; L251-A253 VanDerWaalsContact C-N 3.35Å; L251-A253 PolarHBondContact O-N 3.24Å; A253-F255 VanDerWaalsContact C-N 3.33Å; A253-F255 PolarHBondContact O-N 3.04Å; A253-V256 PolarHBondContact O-N 3.48Å; A253-D257 PolarHBondContact O-N 2.66Å; A253-D257 VanDerWaalsContact O-N 3.08Å; A253-A323 HydrophobicContact CB-CB 3.88Å; A253-V326 HydrophobicContact CB-CB 4.37Å; A253-V326 HydrophobicContact CB-CG1 4.15Å; A253-R327 PolarHBondContact O-NH2 3.35Å
254T98.4Very high96.7Very high0 Ų035.7 Ų35.70%016%0.162CC..Hα-helixtrans-64.6-36.1172.9-62.50000112.1S222 V223 L250 L251 G252 K258 K259 R327S222-T254 VanDerWaalsContact O-CB 3.29Å; S222-T254 WeakPolarHBondContact O-CB 3.22Å; S222-T254 PolarHBondContact O-OG1 3.42Å; V223-T254 VanDerWaalsContact O-CG2 3.31Å; V223-T254 WeakPolarHBondContact O-CG2 3.47Å; V223-T254 PolarHBondContact O-OG1 3.2Å; L250-T254 PolarHBondContact O-N 3.11Å; L250-T254 PolarHBondContact O-OG1 3.44Å; L251-T254 WeakPolarHBondContact O-CB 3.44Å; L251-T254 PolarHBondContact O-N 3.15Å; G252-T254 VanDerWaalsContact C-N 3.32Å; G252-T254 PolarHBondContact O-N 3.32Å; T254-K258 HydrophobicContact CG2-CB 3.94Å; T254-K258 HydrophobicContact CG2-CD 4.06Å; T254-K258 WeakPolarHBondContact O-CA 3.48Å; T254-K258 WeakPolarHBondContact O-CB 3.27Å; T254-K258 PolarHBondContact O-N 2.95Å; T254-K259 PolarHBondContact O-N 3.09Å; T254-R327 PolarHBondContact OG1-NH2 2.98Å
255F98.1Very high96.8Very high15 Ų1532.4 Ų32.47%0.06615%0.15CC..Iπ-helixtrans-64.6-38.9175.1-94.6-114.7000112.3T227 L251 G252 A253 K259 R260 D261 A265 Y268T227-F255 HydrophobicContact CG2-CE2 3.63Å; T227-F255 HydrophobicContact CG2-CZ 3.62Å; L251-F255 HydrophobicContact CD1-CD2 3.92Å; L251-F255 HydrophobicContact CD1-CE2 3.74Å; L251-F255 HydrophobicContact CG-CD2 4.1Å; L251-F255 HydrophobicContact CG-CE2 4.06Å; L251-F255 VanDerWaalsContact O-CD2 3.31Å; L251-F255 WeakPolarHBondContact O-CD2 3.22Å; L251-F255 PolarHBondContact O-N 3.21Å; G252-F255 WeakPolarHBondContact O-CB 3.4Å; G252-F255 PolarHBondContact O-N 3Å; A253-F255 VanDerWaalsContact C-N 3.33Å; A253-F255 PolarHBondContact O-N 3.04Å; F255-K259 HydrophobicContact CD1-CD 4.09Å; F255-K259 HydrophobicContact CD2-CD 3.88Å; F255-K259 HydrophobicContact CE1-CD 3.89Å; F255-K259 HydrophobicContact CE2-CD 3.68Å; F255-K259 HydrophobicContact CG-CD 4.09Å; F255-K259 HydrophobicContact CZ-CD 3.68Å; F255-K259 CarbonylContact O-C 3.59Å; F255-K259 PolarHBondContact O-N 3.21Å; F255-R260 PolarHBondContact O-N 3.2Å; F255-D261 HydrophobicContact CD1-CB 3.91Å; F255-D261 WeakPolarHBondContact CD1-OD2 3.26Å; F255-D261 PolarHBondContact O-N 3.47Å; F255-A265 HydrophobicContact CB-CB 3.9Å; F255-Y268 HydrophobicContact CD1-CE2 4.23Å; F255-Y268 HydrophobicContact CD2-CD2 4.28Å; F255-Y268 AromaticContact CD2-CE2 3.98Å; F255-Y268 HydrophobicContact CD2-CE2 3.98Å; F255-Y268 AromaticContact CE1-CE2 3.89Å; F255-Y268 HydrophobicContact CE1-CE2 3.89Å; F255-Y268 HydrophobicContact CE2-CD2 4.34Å; F255-Y268 AromaticContact CE2-CE2 3.6Å; F255-Y268 HydrophobicContact CE2-CE2 3.6Å; F255-Y268 HydrophobicContact CG-CD2 4.43Å; F255-Y268 HydrophobicContact CG-CE2 4.27Å; F255-Y268 AromaticContact CZ-CE2 3.56Å; F255-Y268 HydrophobicContact CZ-CE2 3.56Å
256V97.3Very high96.8Very high4 Ų432.5 Ų32.52%0.02415%0.15CC..Iπ-helixtrans-64.1-53.5174.4175.30000111.8G252 A253 L262 A265 W269 R320 A323G252-V256 PolarHBondContact O-N 3.01Å; A253-V256 PolarHBondContact O-N 3.48Å; V256-L262 HydrophobicContact CB-CD2 4.33Å; V256-L262 HydrophobicContact CG1-CD2 3.94Å; V256-L262 HydrophobicContact CG2-CD2 3.99Å; V256-A265 HydrophobicContact CG2-CB 3.48Å; V256-A265 VanDerWaalsContact CG2-CB 3.48Å; V256-W269 HydrophobicContact CG2-CH2 3.66Å; V256-W269 HydrophobicContact CG2-CZ2 4.05Å; V256-W269 HydrophobicContact CG2-CZ3 4.43Å; V256-R320 HydrophobicContact CG1-CG 4.11Å; V256-A323 HydrophobicContact CB-CB 3.84Å; V256-A323 HydrophobicContact CG1-CB 3.88Å; V256-A323 HydrophobicContact CG2-CB 4.23Å
257D95.1Very high96.8Very high0 Ų039 Ų390%017%0.171CC..Iπ-helixtrans-85.7-42.8-168.5-63.4-49.3000113.6A253 R327 Y341 Y344 R345A253-D257 PolarHBondContact O-N 2.66Å; A253-D257 VanDerWaalsContact O-N 3.08Å; D257-R327 IonicContact OD2-CZ 3.01Å; D257-R327 IonicContact OD2-NH1 2.68Å; D257-R327 PolarHBondContact OD2-NH1 3.27Å; D257-R327 IonicContact OD2-NH2 2.78Å; D257-Y341 HydrophobicContact CB-CD1 3.39Å; D257-Y341 HydrophobicContact CB-CE1 3.51Å; D257-Y341 HydrophobicContact CB-CG 4.23Å; D257-Y344 VanDerWaalsContact O-CE1 3.29Å; D257-Y344 WeakPolarHBondContact O-CE1 3.21Å; D257-Y344 PolarHBondContact O-OH 2.92Å; D257-R345 IonicContact OD1-CZ 3.98Å; D257-R345 IonicContact OD1-NE 3.52Å; D257-R345 IonicContact OD1-NH2 3.43Å; D257-R345 PolarHBondContact OD1-NH2 3.36Å
258K95.1Very high96.8Very high108 Ų10840.8 Ų40.847%0.4718%0.178SC..Iπ-helixtrans-91.5-47.9-173.9-163179.1-177.2176.90112.2T224 T254 Y341T224-K258 PolarHBondContact O-NZ 3.43Å; T254-K258 HydrophobicContact CG2-CB 3.94Å; T254-K258 HydrophobicContact CG2-CD 4.06Å; T254-K258 WeakPolarHBondContact O-CA 3.48Å; T254-K258 WeakPolarHBondContact O-CB 3.27Å; T254-K258 PolarHBondContact O-N 2.95Å; K258-Y341 WeakPolarHBondContact CB-OH 3.49Å
259K94.6Very high96.7Very high91 Ų9141.4 Ų41.440%0.39618%0.181SC..Iπ-helixtrans-88-15-176.9-56.6-163-179.1-172.90113.7G225 T254 F255 D261G225-K259 VanDerWaalsContact O-CE 3.28Å; G225-K259 WeakPolarHBondContact O-CE 3.49Å; G225-K259 PolarHBondContact O-NZ 3.24Å; T254-K259 PolarHBondContact O-N 3.09Å; F255-K259 HydrophobicContact CD1-CD 4.09Å; F255-K259 HydrophobicContact CD2-CD 3.88Å; F255-K259 HydrophobicContact CE1-CD 3.89Å; F255-K259 HydrophobicContact CE2-CD 3.68Å; F255-K259 HydrophobicContact CG-CD 4.09Å; F255-K259 HydrophobicContact CZ-CD 3.68Å; F255-K259 CarbonylContact O-C 3.59Å; F255-K259 PolarHBondContact O-N 3.21Å; K259-D261 HydrophobicContact CB-CB 4.3Å; K259-D261 PolarHBondContact O-N 2.9Å
260R94.6Very high96.6Very high186 Ų18645.4 Ų45.470%0.70220%0.196SC*.  trans54.732.5-174.8-54179179-170.4-4.5112.2F255 Y344F255-R260 PolarHBondContact O-N 3.2Å; R260-Y344 PolarHBondContact NE-OH 3.29Å; R260-Y344 PolarHBondContact NH2-OH 2.97Å
261D96.2Very high96.5Very high61 Ų6148.6 Ų48.633%0.32621%0.208SC..  trans-112.990.9-179176.813.3000109.9F255 K259 L263 G264 A265F255-D261 HydrophobicContact CD1-CB 3.91Å; F255-D261 WeakPolarHBondContact CD1-OD2 3.26Å; F255-D261 PolarHBondContact O-N 3.47Å; K259-D261 HydrophobicContact CB-CB 4.3Å; K259-D261 PolarHBondContact O-N 2.9Å; D261-L263 PolarHBondContact OD1-N 3.11Å; D261-G264 PolarHBondContact OD1-N 2.92Å; D261-G264 WeakPolarHBondContact OD2-CA 3.25Å; D261-A265 PolarHBondContact O-N 3.39Å; D261-A265 VanDerWaalsContact O-N 3.09Å
262L95.3Very high96.3Very high48 Ų4848.6 Ų48.625%0.25121%0.208SC..Hα-helixtrans-67-39-179.8-61.2-176.3000111.8V256 G264 A265 M266 P316 M319V256-L262 HydrophobicContact CB-CD2 4.33Å; V256-L262 HydrophobicContact CG1-CD2 3.94Å; V256-L262 HydrophobicContact CG2-CD2 3.99Å; L262-G264 PolarHBondContact O-N 3.06Å; L262-A265 WeakPolarHBondContact O-CB 3.47Å; L262-A265 PolarHBondContact O-N 2.95Å; L262-M266 WeakPolarHBondContact O-CG 3.48Å; L262-M266 PolarHBondContact O-N 3.07Å; L262-P316 HydrophobicContact CD1-CB 3.9Å; L262-P316 HydrophobicContact CD1-CG 4.43Å; L262-M319 HydrophobicContact CB-CE 3.74Å; L262-M319 HydrophobicContact CB-SD 3.84Å; L262-M319 HydrophobicContact CD1-SD 3.99Å; L262-M319 HydrophobicContact CD2-CB 4.33Å; L262-M319 HydrophobicContact CD2-CE 3.98Å; L262-M319 HydrophobicContact CD2-SD 4.05Å; L262-M319 HydrophobicContact CG-CE 4.35Å; L262-M319 HydrophobicContact CG-SD 4.16Å; L262-M319 WeakPolarHBondContact O-CE 3.43Å
263L94.9Very high96Very high108 Ų10849.1 Ų49.157%0.56521%0.21SC*.Hα-helixtrans-67.6-39.6-179.7-65.1176.9000111.3D261 M266 R267 I313D261-L263 PolarHBondContact OD1-N 3.11Å; L263-M266 PolarHBondContact O-N 3.21Å; L263-R267 WeakPolarHBondContact O-CG 3.44Å; L263-R267 PolarHBondContact O-N 3.3Å; L263-I313 HydrophobicContact CD2-CD1 3.87Å; L263-I313 HydrophobicContact CD2-CG1 4.47Å
264G95.8Very high95.7Very high6 Ų654.2 Ų54.26%0.06223%0.234CC..Hα-helixtrans-61.7-43.6171.800000112.1D261 L262 M266 R267 Y268D261-G264 PolarHBondContact OD1-N 2.92Å; D261-G264 WeakPolarHBondContact OD2-CA 3.25Å; L262-G264 PolarHBondContact O-N 3.06Å; G264-M266 PolarHBondContact O-N 2.89Å; G264-R267 PolarHBondContact O-N 3.33Å; G264-Y268 WeakPolarHBondContact O-CD2 3.36Å; G264-Y268 PolarHBondContact O-N 3.23Å
265A97.4Very high95.4Very high0 Ų056.5 Ų56.50%025%0.246CC..Hα-helixtrans-57.6-46.9175.200000112.3G252 F255 V256 D261 L262 R267 Y268 W269 M319G252-A265 VanDerWaalsContact O-CB 3.23Å; G252-A265 WeakPolarHBondContact O-CB 3.49Å; F255-A265 HydrophobicContact CB-CB 3.9Å; V256-A265 HydrophobicContact CG2-CB 3.48Å; V256-A265 VanDerWaalsContact CG2-CB 3.48Å; D261-A265 PolarHBondContact O-N 3.39Å; D261-A265 VanDerWaalsContact O-N 3.09Å; L262-A265 WeakPolarHBondContact O-CB 3.47Å; L262-A265 PolarHBondContact O-N 2.95Å; A265-R267 VanDerWaalsContact C-N 3.29Å; A265-R267 PolarHBondContact O-N 3.46Å; A265-Y268 PolarHBondContact O-N 3.34Å; A265-Y268 VanDerWaalsContact O-N 3.13Å; A265-W269 HydrophobicContact CB-CH2 4.49Å; A265-W269 HydrophobicContact CB-CZ3 4.49Å; A265-W269 PolarHBondContact O-N 2.76Å; A265-M319 HydrophobicContact CB-CE 4.44Å
266M96Very high95Very high4 Ų456.7 Ų56.72%0.0225%0.246CC..Hα-helixtrans-57.3-39.8177.4-71.7-53.8-6400112.9L262 L263 G264 Y268 W269 R270 L309 L312 M319L262-M266 WeakPolarHBondContact O-CG 3.48Å; L262-M266 PolarHBondContact O-N 3.07Å; L263-M266 PolarHBondContact O-N 3.21Å; G264-M266 PolarHBondContact O-N 2.89Å; M266-Y268 VanDerWaalsContact C-N 3.35Å; M266-Y268 PolarHBondContact O-N 3.07Å; M266-W269 PolarHBondContact O-N 2.73Å; M266-W269 HydrophobicContact SD-CE3 3.84Å; M266-W269 HydrophobicContact SD-CZ3 4.22Å; M266-R270 WeakPolarHBondContact O-CB 3.4Å; M266-R270 PolarHBondContact O-N 3.23Å; M266-L309 HydrophobicContact CE-CD1 3.48Å; M266-L309 VanDerWaalsContact CE-CD1 3.48Å; M266-L309 HydrophobicContact CE-CD2 4.48Å; M266-L309 HydrophobicContact CE-CG 3.58Å; M266-L309 WeakPolarHBondContact CE-O 3.26Å; M266-L309 HydrophobicContact SD-CD1 3.96Å; M266-L312 HydrophobicContact SD-CD2 4.24Å; M266-M319 HydrophobicContact CG-CE 3.64Å; M266-M319 HydrophobicContact SD-CE 3.57Å; M266-M319 VanDerWaalsContact SD-CE 3.57Å; M266-M319 HydrophobicContact SD-SD 4.41Å
267R96.1Very high94.5Very high183 Ų18361.7 Ų61.769%0.69127%0.269SS*.Hα-helixtrans-62.2-42.6177.8-70.1176.1-176.2-167.71.4111.9L263 G264 A265 R271L263-R267 WeakPolarHBondContact O-CG 3.44Å; L263-R267 PolarHBondContact O-N 3.3Å; G264-R267 PolarHBondContact O-N 3.33Å; A265-R267 VanDerWaalsContact C-N 3.29Å; A265-R267 PolarHBondContact O-N 3.46Å; R267-R271 PolarHBondContact O-N 2.94Å; R267-R271 VanDerWaalsContact O-N 3.16Å
268Y97.7Very high93.7Very high36 Ų3665.8 Ų65.814%0.14129%0.294CS..Hα-helixtrans-72.1-40.3178.7-66.4-64.1000112.2T227 L248 L251 F255 G264 A265 M266 R271 A272T227-Y268 WeakPolarHBondContact CG2-OH 3.24Å; L248-Y268 HydrophobicContact CD2-CD1 3.8Å; L248-Y268 HydrophobicContact CD2-CE1 4.49Å; L251-Y268 HydrophobicContact CD2-CD1 3.79Å; L251-Y268 HydrophobicContact CD2-CD2 4.1Å; L251-Y268 HydrophobicContact CD2-CE1 3.57Å; L251-Y268 HydrophobicContact CD2-CE2 3.92Å; L251-Y268 HydrophobicContact CD2-CG 4.05Å; L251-Y268 HydrophobicContact CG-CD2 4.1Å; L251-Y268 HydrophobicContact CG-CE2 4.16Å; L251-Y268 HydrophobicContact CG-CG 4.31Å; F255-Y268 HydrophobicContact CD1-CE2 4.23Å; F255-Y268 HydrophobicContact CD2-CD2 4.28Å; F255-Y268 AromaticContact CD2-CE2 3.98Å; F255-Y268 HydrophobicContact CD2-CE2 3.98Å; F255-Y268 AromaticContact CE1-CE2 3.89Å; F255-Y268 HydrophobicContact CE1-CE2 3.89Å; F255-Y268 HydrophobicContact CE2-CD2 4.34Å; F255-Y268 AromaticContact CE2-CE2 3.6Å; F255-Y268 HydrophobicContact CE2-CE2 3.6Å; F255-Y268 HydrophobicContact CG-CD2 4.43Å; F255-Y268 HydrophobicContact CG-CE2 4.27Å; F255-Y268 AromaticContact CZ-CE2 3.56Å; F255-Y268 HydrophobicContact CZ-CE2 3.56Å; G264-Y268 WeakPolarHBondContact O-CD2 3.36Å; G264-Y268 PolarHBondContact O-N 3.23Å; A265-Y268 PolarHBondContact O-N 3.34Å; A265-Y268 VanDerWaalsContact O-N 3.13Å; M266-Y268 VanDerWaalsContact C-N 3.35Å; M266-Y268 PolarHBondContact O-N 3.07Å; Y268-R271 PolarHBondContact O-N 3.4Å; Y268-A272 WeakPolarHBondContact O-CB 3.47Å; Y268-A272 PolarHBondContact O-N 3.27Å
269W97.3Very high92.2Very high15 Ų1563.2 Ų63.26%0.05730%0.298CS..Hα-helixtrans-63.4-40.4175-68-18.9000112.5E249 V256 A265 M266 A272 M273 L309 L312 M319 Q322 A323E249-W269 PolarHBondContact O-NE1 2.94Å; V256-W269 HydrophobicContact CG2-CH2 3.66Å; V256-W269 HydrophobicContact CG2-CZ2 4.05Å; V256-W269 HydrophobicContact CG2-CZ3 4.43Å; A265-W269 HydrophobicContact CB-CH2 4.49Å; A265-W269 HydrophobicContact CB-CZ3 4.49Å; A265-W269 PolarHBondContact O-N 2.76Å; M266-W269 PolarHBondContact O-N 2.73Å; M266-W269 HydrophobicContact SD-CE3 3.84Å; M266-W269 HydrophobicContact SD-CZ3 4.22Å; W269-A272 PolarHBondContact O-N 2.97Å; W269-M273 WeakPolarHBondContact O-CB 3.37Å; W269-M273 PolarHBondContact O-N 3.34Å; W269-L309 HydrophobicContact CB-CD1 3.84Å; W269-L309 HydrophobicContact CB-CD2 4.18Å; W269-L309 HydrophobicContact CE3-CD1 4.09Å; W269-L312 HydrophobicContact CE3-CD2 4Å; W269-L312 HydrophobicContact CZ3-CD2 3.56Å; W269-M319 HydrophobicContact CE3-CE 4.45Å; W269-M319 HydrophobicContact CH2-CE 4.48Å; W269-M319 HydrophobicContact CZ3-CE 3.74Å; W269-Q322 HydrophobicContact CH2-CB 3.94Å; W269-Q322 HydrophobicContact CZ2-CB 4.5Å; W269-Q322 HydrophobicContact CZ3-CB 4.37Å; W269-A323 HydrophobicContact CZ2-CB 4.44Å
270R95.7Very high90.3Very high89 Ų8965.8 Ų65.834%0.33632%0.316SS..Hα-helixtrans-62-47.3175.3-169.2-178.2-65.5129-1.4111.2M266 A272 M273 E274 L309 E310M266-R270 WeakPolarHBondContact O-CB 3.4Å; M266-R270 PolarHBondContact O-N 3.23Å; R270-A272 VanDerWaalsContact C-N 3.31Å; R270-A272 PolarHBondContact O-N 3.43Å; R270-M273 WeakPolarHBondContact O-CB 3.36Å; R270-M273 PolarHBondContact O-N 3.12Å; R270-M273 VanDerWaalsContact O-N 3.16Å; R270-E274 WeakPolarHBondContact O-CG 3.5Å; R270-E274 PolarHBondContact O-N 3Å; R270-L309 HydrophobicContact CB-CD2 4.02Å; R270-E310 IonicContact CZ-OE1 3.02Å; R270-E310 IonicContact NE-OE1 2.86Å; R270-E310 PolarHBondContact NE-OE1 3.38Å; R270-E310 IonicContact NH2-OE1 3.29Å; R270-E310 PolarHBondContact NH2-OE1 3.15Å; R270-E310 IonicContact NH2-OE2 3.36Å; R270-E310 PolarHBondContact NH2-OE2 3.4Å
271R95.1Very high88.6Confident67 Ų6767.2 Ų67.225%0.25333%0.328SS..Hα-helixtrans-62-37.5176.4-173.2179.3173.4-167.20.2112.7E231 H235 L248 R267 Y268 L275E231-R271 IonicContact OE1-CZ 3.65Å; E231-R271 IonicContact OE1-NH1 2.69Å; E231-R271 PolarHBondContact OE1-NH1 3.19Å; E231-R271 IonicContact OE2-CZ 2.73Å; E231-R271 IonicContact OE2-NH1 2.72Å; E231-R271 PolarHBondContact OE2-NH1 2.85Å; E231-R271 IonicContact OE2-NH2 3.09Å; E231-R271 PolarHBondContact OE2-NH2 2.93Å; H235-R271 PolarHBondContact CE1-NH2 3.21Å; H235-R271 VanDerWaalsContact CE1-NH2 3.34Å; L248-R271 HydrophobicContact CD1-CG 4.1Å; R267-R271 PolarHBondContact O-N 2.94Å; R267-R271 VanDerWaalsContact O-N 3.16Å; Y268-R271 PolarHBondContact O-N 3.4Å; R271-L275 VanDerWaalsContact O-CG 3.3Å; R271-L275 WeakPolarHBondContact O-CG 3.43Å; R271-L275 PolarHBondContact O-N 3.25Å; R271-L275 VanDerWaalsContact O-N 3.08Å
272A95.4Very high86.6Confident0 Ų069.4 Ų69.40%036%0.355CS..Hα-helixtrans-66.2-41.1175.100000111.7I245 L248 E249 Y268 W269 R270 L275 R276I245-A272 HydrophobicContact CG2-CB 4.38Å; L248-A272 HydrophobicContact CB-CB 3.92Å; E249-A272 HydrophobicContact CG-CB 3.62Å; Y268-A272 WeakPolarHBondContact O-CB 3.47Å; Y268-A272 PolarHBondContact O-N 3.27Å; W269-A272 PolarHBondContact O-N 2.97Å; R270-A272 VanDerWaalsContact C-N 3.31Å; R270-A272 PolarHBondContact O-N 3.43Å; A272-L275 PolarHBondContact O-N 3.03Å; A272-R276 WeakPolarHBondContact O-CG 3.28Å; A272-R276 PolarHBondContact O-N 3.43Å
273M92.4Very high85Confident10 Ų1068.5 Ų68.55%0.04936%0.356CS..Hα-helixtrans-62.7-47.5175.7-160.771.378.700111.3W269 R270 L275 R276 E277 V303W269-M273 WeakPolarHBondContact O-CB 3.37Å; W269-M273 PolarHBondContact O-N 3.34Å; R270-M273 WeakPolarHBondContact O-CB 3.36Å; R270-M273 PolarHBondContact O-N 3.12Å; R270-M273 VanDerWaalsContact O-N 3.16Å; M273-L275 VanDerWaalsContact C-N 3.27Å; M273-L275 PolarHBondContact O-N 2.9Å; M273-R276 WeakPolarHBondContact O-CB 3.39Å; M273-R276 PolarHBondContact O-N 3.4Å; M273-E277 PolarHBondContact O-N 2.95Å; M273-E277 VanDerWaalsContact O-N 3.16Å; M273-V303 HydrophobicContact CE-CG2 4.25Å
274E92Very high84Confident108 Ų10866.2 Ų66.251%0.50535%0.349SS..Hα-helixtrans-54.2-45.8174.2-71.6165.8-170.500110.6R270 R276 E277 V278R270-E274 WeakPolarHBondContact O-CG 3.5Å; R270-E274 PolarHBondContact O-N 3Å; E274-R276 VanDerWaalsContact C-N 3.29Å; E274-R276 PolarHBondContact O-N 3Å; E274-E277 PolarHBondContact O-N 3.39Å; E274-E277 VanDerWaalsContact O-N 3.09Å; E274-V278 WeakPolarHBondContact O-CG2 3.42Å; E274-V278 PolarHBondContact O-N 3.01Å; E274-V278 VanDerWaalsContact O-N 3.12Å
275L90.8Very high83.3Confident48 Ų4867.4 Ų67.425%0.25135%0.354SS..Hα-helixtrans-64-28.3177.3-74.6172.5000114.2I245 L248 R271 A272 M273 E277I245-L275 HydrophobicContact CD1-CB 4.2Å; I245-L275 HydrophobicContact CG1-CB 3.74Å; I245-L275 HydrophobicContact CG1-CD1 4.47Å; L248-L275 HydrophobicContact CD1-CD1 3.53Å; R271-L275 VanDerWaalsContact O-CG 3.3Å; R271-L275 WeakPolarHBondContact O-CG 3.43Å; R271-L275 PolarHBondContact O-N 3.25Å; R271-L275 VanDerWaalsContact O-N 3.08Å; A272-L275 PolarHBondContact O-N 3.03Å; M273-L275 VanDerWaalsContact C-N 3.27Å; M273-L275 PolarHBondContact O-N 2.9Å; L275-E277 VanDerWaalsContact C-N 3.33Å
276R90.5Very high82.7Confident18 Ų1872.3 Ų72.37%0.06839%0.389CS..Hα-helixtrans-70.8-31.2173.1-72.3177.7174.9-71.5-3112.1I245 E249 A272 M273 E274 S284 L285I245-R276 HydrophobicContact CD1-CG 3.81Å; I245-R276 HydrophobicContact CG1-CG 4.32Å; I245-R276 HydrophobicContact CG2-CG 3.87Å; I245-R276 VanDerWaalsContact CG2-CZ 3.43Å; E249-R276 VanDerWaalsContact CD-NH2 3.32Å; E249-R276 IonicContact OE1-CZ 2.81Å; E249-R276 VanDerWaalsContact OE1-CZ 3.32Å; E249-R276 IonicContact OE1-NE 3.72Å; E249-R276 PolarHBondContact OE1-NE 2.83Å; E249-R276 IonicContact OE1-NH2 3.61Å; E249-R276 PolarHBondContact OE1-NH2 3.28Å; E249-R276 IonicContact OE2-CZ 2.77Å; E249-R276 IonicContact OE2-NH2 3.72Å; E249-R276 PolarHBondContact OE2-NH2 3.34Å; A272-R276 WeakPolarHBondContact O-CG 3.28Å; A272-R276 PolarHBondContact O-N 3.43Å; M273-R276 WeakPolarHBondContact O-CB 3.39Å; M273-R276 PolarHBondContact O-N 3.4Å; E274-R276 VanDerWaalsContact C-N 3.29Å; E274-R276 PolarHBondContact O-N 3Å; R276-S284 WeakPolarHBondContact O-CA 3.37Å; R276-S284 PolarHBondContact O-OG 3.5Å; R276-S284 VanDerWaalsContact O-OG 3.09Å; R276-L285 WeakPolarHBondContact CB-O 3.44Å; R276-L285 WeakPolarHBondContact CG-O 3.47Å; R276-L285 PolarHBondContact NH1-O 2.87Å; R276-L285 PolarHBondContact O-N 2.78Å
277E86.1Confident82.3Confident109 Ų10973.8 Ų73.851%0.50940%0.395SS..Hα-helixtrans-88.2-13-178.3-65.8-179.717400113.6M273 E274 L275 G279M273-E277 PolarHBondContact O-N 2.95Å; M273-E277 VanDerWaalsContact O-N 3.16Å; E274-E277 PolarHBondContact O-N 3.39Å; E274-E277 VanDerWaalsContact O-N 3.09Å; L275-E277 VanDerWaalsContact C-N 3.33Å; E277-G279 PolarHBondContact O-N 3.44Å; E277-G279 VanDerWaalsContact O-N 3.07Å
278V78.1Confident81.8Confident87 Ų8768.7 Ų68.753%0.52739%0.385SS..  trans-62.9110.2177.5176.70000111.5R241 E274R241-V278 PolarHBondContact NH1-O 3.02Å; E274-V278 WeakPolarHBondContact O-CG2 3.42Å; E274-V278 PolarHBondContact O-N 3.01Å; E274-V278 VanDerWaalsContact O-N 3.12Å
279G63.3Low81Confident54 Ų5472.6 Ų72.656%0.55742%0.416SS*.SBendtrans133.8172.2172.700000113.2E277E277-G279 PolarHBondContact O-N 3.44Å; E277-G279 VanDerWaalsContact O-N 3.07Å
280D56Low80Confident145 Ų14576.2 Ų76.278%0.77544%0.441SS*.SBendtrans-62164.7167.5-78.1-24.1000110.5A282 G283D280-A282 PolarHBondContact O-N 3.22Å; D280-G283 PolarHBondContact O-N 2.96Å
281K57.7Low79.1Confident215 Ų21574.8 Ų74.894%0.93545%0.453SS*.THydrogen-bonded Turntrans-50.2-23.2-179-74.2-173177.3-176.70115
282A55.2Low78.7Confident108 Ų10877 Ų7789%0.89348%0.477SS*.THydrogen-bonded Turntrans-82.9-13.5176.400000114.7D280D280-A282 PolarHBondContact O-N 3.22Å
283G61.5Low78.3Confident28 Ų2881.3 Ų81.329%0.28951%0.505SS..SBendtrans-110.14.6-178.600000114.9R241 D280R241-G283 VanDerWaalsContact CZ-O 3.26Å; R241-G283 PolarHBondContact NH1-O 2.93Å; R241-G283 PolarHBondContact NH2-O 3.04Å; D280-G283 PolarHBondContact O-N 2.96Å
284S73.6Confident78.4Confident60 Ų6082.1 Ų82.142%0.4251%0.509SS..  trans-72.9140.4174.8179.50000111.4R276R276-S284 WeakPolarHBondContact O-CA 3.37Å; R276-S284 PolarHBondContact O-OG 3.5Å; R276-S284 VanDerWaalsContact O-OG 3.09Å
285L82.1Confident78.5Confident31 Ų3182 Ų8216%0.16252%0.517CS..  trans-103.291.9177-66.9173.6000110.2R241 E242 I245 R276R241-L285 HydrophobicContact CB-CD1 4.43Å; R241-L285 HydrophobicContact CG-CD1 4.01Å; E242-L285 HydrophobicContact CG-CD1 3.63Å; E242-L285 HydrophobicContact CG-CD2 4.27Å; I245-L285 HydrophobicContact CD1-CB 4.5Å; I245-L285 HydrophobicContact CD1-CD1 3.71Å; R276-L285 WeakPolarHBondContact CB-O 3.44Å; R276-L285 WeakPolarHBondContact CG-O 3.47Å; R276-L285 PolarHBondContact NH1-O 2.87Å; R276-L285 PolarHBondContact O-N 2.78Å
286S84.4Confident78.6Confident104 Ų10480 Ų8073%0.72751%0.508SS*.PPolyproline II helixtrans-63.4151.517462.70000111.1
287K86.6Confident78.8Confident34 Ų3479.3 Ų79.315%0.14851%0.506CS..PPolyproline II helixtrans-61150.3168.2-74.2-168.4173.8-1700110.1E249 E302 V303E249-K287 WeakPolarHBondContact OE1-CE 3.12Å; K287-E302 HydrophobicContact CD-CB 4.08Å; K287-E302 IonicContact NZ-OE2 3.69Å; K287-E302 PolarHBondContact NZ-OE2 3.42Å; K287-V303 WeakPolarHBondContact CD-O 3.32Å; K287-V303 WeakPolarHBondContact CE-O 3.41Å; K287-V303 PolarHBondContact NZ-O 3.35Å
288P86.2Confident79Confident76 Ų7677 Ų7749%0.49451%0.511SS..PPolyproline II helixtrans-54.2149.6169.1-24.835.9000110.8
289P80.7Confident79.6Confident119 Ų11975.9 Ų75.977%0.77351%0.506SS*.PPolyproline II helixtrans-58.2141.8178.225.5-33.9000110.2G291P289-G291 PolarHBondContact O-N 3.24Å
290P76Confident81Confident91 Ų9173.8 Ų73.859%0.59148%0.484SS*.PPolyproline II helixtrans-61136.7-179.425-32.7000110.2
291G78.2Confident82.7Confident58 Ų5872.7 Ų72.760%0.59847%0.474SS*.  trans-67.9-176.9170.900000112.4P289P289-G291 PolarHBondContact O-N 3.24Å
292P84.9Confident84.4Confident115 Ų11564.4 Ų64.475%0.74744%0.439SS*.SBendtrans-57.5143173.525.8-33.5000110.6I294P292-I294 PolarHBondContact O-N 3.41Å
293P88.9Confident86.1Confident90 Ų9060 Ų6058%0.58440%0.401SS*.  trans-60.2133.4-178.625.6-34000110.1P295 C299P293-P295 WeakPolarHBondContact O-CD 3.42Å; P293-C299 HydrophobicContact CB-CB 4Å
294I93.1Very high87.5Confident26 Ų2662 Ų6213%0.13341%0.41CS..  trans-97.5107.8-178.3-59.7164.5000108.2P292 A296 Y297 C299 L325 Y364P292-I294 PolarHBondContact O-N 3.41Å; I294-A296 HydrophobicContact CG2-CB 4.16Å; I294-A296 PolarHBondContact O-N 2.99Å; I294-Y297 HydrophobicContact CB-CD2 3.84Å; I294-Y297 HydrophobicContact CB-CE2 4.47Å; I294-Y297 HydrophobicContact CB-CG 4.1Å; I294-Y297 HydrophobicContact CD1-CD2 3.58Å; I294-Y297 HydrophobicContact CD1-CE2 3.56Å; I294-Y297 HydrophobicContact CG1-CD2 4.31Å; I294-Y297 HydrophobicContact CG2-CD1 4.16Å; I294-Y297 HydrophobicContact CG2-CD2 3.78Å; I294-Y297 HydrophobicContact CG2-CE1 4.48Å; I294-Y297 HydrophobicContact CG2-CE2 4.16Å; I294-Y297 HydrophobicContact CG2-CG 3.79Å; I294-Y297 PolarHBondContact O-N 3.15Å; I294-C299 PolarHBondContact O-N 2.88Å; I294-L325 HydrophobicContact CD1-CD2 4.34Å; I294-Y364 WeakPolarHBondContact CD1-OH 3.16Å; I294-Y364 HydrophobicContact CG2-CD1 4.19Å; I294-Y364 HydrophobicContact CG2-CD2 4.03Å; I294-Y364 HydrophobicContact CG2-CE1 3.85Å; I294-Y364 HydrophobicContact CG2-CE2 3.69Å; I294-Y364 HydrophobicContact CG2-CG 4.27Å
295P93.9Very high88.2Confident105 Ų10561.3 Ų61.368%0.68240%0.404SS*.G310 helixtrans-61.4-31.8-177.1-2536000113.1P293 Y297 G298P293-P295 WeakPolarHBondContact O-CD 3.42Å; P295-Y297 PolarHBondContact O-N 2.94Å; P295-G298 PolarHBondContact O-N 3.35Å
296A93.7Very high88.5Confident8 Ų861.8 Ų61.87%0.06641%0.412CS..G310 helixtrans-64-22.7176.400000113.1I294 L361 Y364I294-A296 HydrophobicContact CG2-CB 4.16Å; I294-A296 PolarHBondContact O-N 2.99Å; A296-L361 HydrophobicContact CB-CD2 4.39Å; A296-L361 WeakPolarHBondContact O-CD2 3.44Å; A296-Y364 HydrophobicContact CB-CD1 4.37Å; A296-Y364 HydrophobicContact CB-CG 3.93Å
297Y94.8Very high88.8Confident2 Ų263.6 Ų63.61%0.00841%0.409CS..G310 helixtrans-97.815.3175.3-59.3-13.8000112.5I294 P295 C299 A300 M321 L324 L325 E328 I342 L361 Y364I294-Y297 HydrophobicContact CB-CD2 3.84Å; I294-Y297 HydrophobicContact CB-CE2 4.47Å; I294-Y297 HydrophobicContact CB-CG 4.1Å; I294-Y297 HydrophobicContact CD1-CD2 3.58Å; I294-Y297 HydrophobicContact CD1-CE2 3.56Å; I294-Y297 HydrophobicContact CG1-CD2 4.31Å; I294-Y297 HydrophobicContact CG2-CD1 4.16Å; I294-Y297 HydrophobicContact CG2-CD2 3.78Å; I294-Y297 HydrophobicContact CG2-CE1 4.48Å; I294-Y297 HydrophobicContact CG2-CE2 4.16Å; I294-Y297 HydrophobicContact CG2-CG 3.79Å; I294-Y297 PolarHBondContact O-N 3.15Å; P295-Y297 PolarHBondContact O-N 2.94Å; Y297-C299 PolarHBondContact O-N 2.99Å; Y297-A300 WeakPolarHBondContact O-CB 3.33Å; Y297-A300 PolarHBondContact O-N 3.23Å; Y297-M321 HydrophobicContact CD1-SD 4.43Å; Y297-L324 HydrophobicContact CD1-CD1 3.97Å; Y297-L324 HydrophobicContact CE1-CB 4.11Å; Y297-L324 HydrophobicContact CE1-CD1 3.61Å; Y297-L324 HydrophobicContact CE1-CG 4.49Å; Y297-L324 HydrophobicContact CE2-CB 4.13Å; Y297-L325 HydrophobicContact CD2-CD2 3.72Å; Y297-L325 HydrophobicContact CD2-CG 4.12Å; Y297-L325 HydrophobicContact CE2-CD2 4.17Å; Y297-E328 PolarHBondContact OH-OE2 3.19Å; Y297-I342 HydrophobicContact CE1-CG1 4.38Å; Y297-I342 WeakPolarHBondContact OH-CD1 3.45Å; Y297-I342 VanDerWaalsContact OH-CG1 3.27Å; Y297-I342 WeakPolarHBondContact OH-CG1 3.49Å; Y297-L361 HydrophobicContact CD1-CD2 3.76Å; Y297-L361 HydrophobicContact CE1-CD2 3.81Å; Y297-Y364 AromaticContact CE1-CD1 3.98Å; Y297-Y364 HydrophobicContact CE1-CD1 3.98Å; Y297-Y364 HydrophobicContact CE1-CE1 4.04Å; Y297-Y364 HydrophobicContact CE2-CE1 4.16Å; Y297-Y364 AromaticContact CZ-CE1 3.62Å; Y297-Y364 WeakPolarHBondContact OH-CE1 3.45Å
298G90.9Very high89Confident61 Ų6166.2 Ų66.263%0.62942%0.422SS*.THydrogen-bonded Turntrans65.221.3-174.800000113.2P295 A300P295-G298 PolarHBondContact O-N 3.35Å; G298-A300 PolarHBondContact O-N 3.32Å
299C90.9Very high89.3Confident63 Ų6362.7 Ų62.743%0.42640%0.399SS..THydrogen-bonded Turntrans6024-172.9-56.10000114.2P293 I294 Y297P293-C299 HydrophobicContact CB-CB 4Å; I294-C299 PolarHBondContact O-N 2.88Å; Y297-C299 PolarHBondContact O-N 2.99Å
300A90.9Very high89.7Confident11 Ų1161.1 Ų61.19%0.09138%0.381CS..  trans-57.4150.3173.900000111.8Y297 G298 M321 L325Y297-A300 WeakPolarHBondContact O-CB 3.33Å; Y297-A300 PolarHBondContact O-N 3.23Å; G298-A300 PolarHBondContact O-N 3.32Å; A300-M321 HydrophobicContact CB-CB 3.79Å; A300-M321 HydrophobicContact CB-CG 4.43Å; A300-L325 HydrophobicContact CB-CD1 4.07Å
301Q91.6Very high90.4Very high122 Ų12259.7 Ų59.757%0.5738%0.377SS*.  trans-124.7150.3176.4-66.3-172.9-2.700110.3V303 Q322Q301-V303 PolarHBondContact O-N 3.29Å; Q301-Q322 PolarHBondContact O-NE2 3.45Å
302E93.6Very high91Very high41 Ų4157.3 Ų57.319%0.19235%0.351CS..  trans-63.8133.6179.2-78.4-166.3-123.400112.2K287 S304 Q322 L325 R329K287-E302 HydrophobicContact CD-CB 4.08Å; K287-E302 IonicContact NZ-OE2 3.69Å; K287-E302 PolarHBondContact NZ-OE2 3.42Å; E302-S304 PolarHBondContact O-N 3.24Å; E302-Q322 VanDerWaalsContact CA-OE1 3.27Å; E302-L325 HydrophobicContact CG-CB 3.67Å; E302-L325 HydrophobicContact CG-CD1 4.21Å; E302-R329 WeakPolarHBondContact OE1-CD 3.25Å; E302-R329 IonicContact OE1-CZ 2.61Å; E302-R329 IonicContact OE1-NE 2.89Å; E302-R329 PolarHBondContact OE1-NE 2.92Å; E302-R329 IonicContact OE1-NH2 2.65Å; E302-R329 IonicContact OE2-CZ 3.23Å; E302-R329 IonicContact OE2-NE 2.53Å; E302-R329 PolarHBondContact OE2-NE 3.18Å; E302-R329 IonicContact OE2-NH2 2.71Å; E302-R329 PolarHBondContact OE2-NH2 3.19Å
303V92.6Very high91.1Very high15 Ų1555.5 Ų55.59%0.09133%0.334CS..  trans-58134.9173.1-63.50000110.4M273 K287 Q301 E308 L309 L312 Q322M273-V303 HydrophobicContact CE-CG2 4.25Å; K287-V303 WeakPolarHBondContact CD-O 3.32Å; K287-V303 WeakPolarHBondContact CE-O 3.41Å; K287-V303 PolarHBondContact NZ-O 3.35Å; Q301-V303 PolarHBondContact O-N 3.29Å; V303-E308 HydrophobicContact CB-CB 4.09Å; V303-E308 HydrophobicContact CG1-CB 4.08Å; V303-L309 HydrophobicContact CG2-CB 4.49Å; V303-L309 HydrophobicContact CG2-CD1 4.11Å; V303-L312 HydrophobicContact CG1-CD1 4.37Å; V303-Q322 HydrophobicContact CG1-CG 4.49Å
304S89.4Confident91.1Very high69 Ų6957 Ų5748%0.48334%0.341SS..  trans-119.5-18.9-17268.70000113.5E302 E308E302-S304 PolarHBondContact O-N 3.24Å; S304-E308 PolarHBondContact N-OE2 3.04Å; S304-E308 PolarHBondContact OG-OE2 3.44Å
305T89.7Confident91.1Very high46 Ų4659.1 Ų59.128%0.28235%0.353SS..SBendtrans-124.3162.8177.885.70000112.5E307 E308 L309T305-E307 VanDerWaalsContact C-N 3.31Å; T305-E307 VanDerWaalsContact CB-OE2 3.25Å; T305-E307 WeakPolarHBondContact CB-OE2 3.29Å; T305-E307 PolarHBondContact O-N 3.36Å; T305-E307 PolarHBondContact OG1-N 2.69Å; T305-E307 PolarHBondContact OG1-OE2 3.5Å; T305-E308 PolarHBondContact N-OE2 3.01Å; T305-E308 PolarHBondContact O-N 2.99Å; T305-E308 PolarHBondContact OG1-N 3.4Å; T305-L309 PolarHBondContact O-N 3.11Å; T305-L309 VanDerWaalsContact O-N 3.15Å
306A88.6Confident91Very high42 Ų4256.7 Ų56.735%0.34734%0.337SS..Hα-helixtrans-63.3-35.7175.200000112.4L309 E310A306-L309 WeakPolarHBondContact O-CB 3.34Å; A306-L309 PolarHBondContact O-N 2.89Å; A306-E310 PolarHBondContact O-N 2.99Å
307E89.8Confident90.9Very high142 Ų14257.9 Ų57.966%0.66434%0.343SS*.Hα-helixtrans-66.1-43.3178-57.982-174.400112.1T305 L309 E310 A311T305-E307 VanDerWaalsContact C-N 3.31Å; T305-E307 VanDerWaalsContact CB-OE2 3.25Å; T305-E307 WeakPolarHBondContact CB-OE2 3.29Å; T305-E307 PolarHBondContact O-N 3.36Å; T305-E307 PolarHBondContact OG1-N 2.69Å; T305-E307 PolarHBondContact OG1-OE2 3.5Å; E307-L309 VanDerWaalsContact C-N 3.26Å; E307-L309 PolarHBondContact O-N 3.43Å; E307-E310 PolarHBondContact O-N 3.19Å; E307-A311 PolarHBondContact O-N 3.36Å; E307-A311 VanDerWaalsContact O-N 3.1Å
308E91.5Very high90.9Very high88 Ų8861 Ų6141%0.41136%0.357SS..Hα-helixtrans-61.4-38.8175.1-69.2175.4169.300111.2V303 S304 T305 A311 L312V303-E308 HydrophobicContact CB-CB 4.09Å; V303-E308 HydrophobicContact CG1-CB 4.08Å; S304-E308 PolarHBondContact N-OE2 3.04Å; S304-E308 PolarHBondContact OG-OE2 3.44Å; T305-E308 PolarHBondContact N-OE2 3.01Å; T305-E308 PolarHBondContact O-N 2.99Å; T305-E308 PolarHBondContact OG1-N 3.4Å; E308-A311 PolarHBondContact O-N 3.08Å; E308-L312 PolarHBondContact O-N 3.34Å
309L91.8Very high91.1Very high2 Ų258.1 Ų58.11%0.0133%0.328CS..Hα-helixtrans-64.6-45.5176.3-177.663.6000111.4M266 W269 R270 V303 T305 A306 E307 A311 L312M266-L309 HydrophobicContact CE-CD1 3.48Å; M266-L309 VanDerWaalsContact CE-CD1 3.48Å; M266-L309 HydrophobicContact CE-CD2 4.48Å; M266-L309 HydrophobicContact CE-CG 3.58Å; M266-L309 WeakPolarHBondContact CE-O 3.26Å; M266-L309 HydrophobicContact SD-CD1 3.96Å; W269-L309 HydrophobicContact CB-CD1 3.84Å; W269-L309 HydrophobicContact CB-CD2 4.18Å; W269-L309 HydrophobicContact CE3-CD1 4.09Å; R270-L309 HydrophobicContact CB-CD2 4.02Å; V303-L309 HydrophobicContact CG2-CB 4.49Å; V303-L309 HydrophobicContact CG2-CD1 4.11Å; T305-L309 PolarHBondContact O-N 3.11Å; T305-L309 VanDerWaalsContact O-N 3.15Å; A306-L309 WeakPolarHBondContact O-CB 3.34Å; A306-L309 PolarHBondContact O-N 2.89Å; E307-L309 VanDerWaalsContact C-N 3.26Å; E307-L309 PolarHBondContact O-N 3.43Å; L309-A311 VanDerWaalsContact C-N 3.31Å; L309-A311 PolarHBondContact O-N 3.39Å; L309-L312 HydrophobicContact CD1-CD2 4.38Å; L309-L312 WeakPolarHBondContact O-CB 3.35Å; L309-L312 PolarHBondContact O-N 3.07Å; L309-L312 VanDerWaalsContact O-N 3.14Å
310E89.4Confident91.3Very high86 Ų8658.6 Ų58.640%0.40232%0.32SS..Hα-helixtrans-64.3-33.8177.9-67.5-56.6146.400112.8R270 A306 E307 L312 I313R270-E310 IonicContact CZ-OE1 3.02Å; R270-E310 IonicContact NE-OE1 2.86Å; R270-E310 PolarHBondContact NE-OE1 3.38Å; R270-E310 IonicContact NH2-OE1 3.29Å; R270-E310 PolarHBondContact NH2-OE1 3.15Å; R270-E310 IonicContact NH2-OE2 3.36Å; R270-E310 PolarHBondContact NH2-OE2 3.4Å; A306-E310 PolarHBondContact O-N 2.99Å; E307-E310 PolarHBondContact O-N 3.19Å; E310-L312 PolarHBondContact O-N 3.14Å; E310-I313 VanDerWaalsContact O-CG2 3.28Å; E310-I313 WeakPolarHBondContact O-CG2 3.21Å
311A90.9Very high91.6Very high61 Ų6158 Ų5850%0.50432%0.316SS..Hα-helixtrans-63.6-31.817500000112.5E307 E308 L309 I313 T314E307-A311 PolarHBondContact O-N 3.36Å; E307-A311 VanDerWaalsContact O-N 3.1Å; E308-A311 PolarHBondContact O-N 3.08Å; L309-A311 VanDerWaalsContact C-N 3.31Å; L309-A311 PolarHBondContact O-N 3.39Å; A311-I313 PolarHBondContact O-N 3.28Å; A311-T314 PolarHBondContact O-N 2.95Å; A311-T314 PolarHBondContact O-OG1 3.4Å
312L90.7Very high91.8Very high8 Ų852.4 Ų52.44%0.04229%0.29CS..Hα-helixtrans-61.3-27.7-175.9-161.375.3000113.3M266 W269 V303 E308 L309 E310 T314 D315 E318 M319 Q322M266-L312 HydrophobicContact SD-CD2 4.24Å; W269-L312 HydrophobicContact CE3-CD2 4Å; W269-L312 HydrophobicContact CZ3-CD2 3.56Å; V303-L312 HydrophobicContact CG1-CD1 4.37Å; E308-L312 PolarHBondContact O-N 3.34Å; L309-L312 HydrophobicContact CD1-CD2 4.38Å; L309-L312 WeakPolarHBondContact O-CB 3.35Å; L309-L312 PolarHBondContact O-N 3.07Å; L309-L312 VanDerWaalsContact O-N 3.14Å; E310-L312 PolarHBondContact O-N 3.14Å; L312-T314 PolarHBondContact O-N 3.39Å; L312-T314 VanDerWaalsContact O-N 3.16Å; L312-D315 CarbonylContact O-C 3.48Å; L312-D315 PolarHBondContact O-N 3.2Å; L312-D315 VanDerWaalsContact O-N 3.08Å; L312-E318 HydrophobicContact CD1-CB 3.79Å; L312-E318 HydrophobicContact CD1-CG 3.71Å; L312-M319 HydrophobicContact CD1-CG 4.41Å; L312-M319 HydrophobicContact CD2-CB 4.42Å; L312-M319 HydrophobicContact CD2-CG 3.72Å; L312-M319 HydrophobicContact CG-CB 4.44Å; L312-M319 HydrophobicContact CG-CG 3.53Å; L312-M319 WeakPolarHBondContact O-CG 3.37Å; L312-Q322 HydrophobicContact CD1-CG 3.64Å; L312-Q322 HydrophobicContact CD2-CB 4.33Å; L312-Q322 HydrophobicContact CD2-CG 3.7Å; L312-Q322 HydrophobicContact CG-CG 4.32Å
313I85.9Confident91.9Very high78 Ų7850.5 Ų50.540%0.428%0.281SS..THydrogen-bonded Turntrans-63.3-24.4-178-157168.9000113L263 E310 A311 D315L263-I313 HydrophobicContact CD2-CD1 3.87Å; L263-I313 HydrophobicContact CD2-CG1 4.47Å; E310-I313 VanDerWaalsContact O-CG2 3.28Å; E310-I313 WeakPolarHBondContact O-CG2 3.21Å; A311-I313 PolarHBondContact O-N 3.28Å; I313-D315 VanDerWaalsContact C-N 3.34Å
314T89.4Confident92.2Very high120 Ų12049.9 Ų49.974%0.73628%0.277SS*.THydrogen-bonded Turntrans-82.2-13.9179.6640000113.3A311 L312A311-T314 PolarHBondContact O-N 2.95Å; A311-T314 PolarHBondContact O-OG1 3.4Å; L312-T314 PolarHBondContact O-N 3.39Å; L312-T314 VanDerWaalsContact O-N 3.16Å
315D93.1Very high92.5Very high71 Ų7147.6 Ų47.638%0.3826%0.259SS..  trans-124.493.1-179.4-164.9-27.2000111.7L312 I313 D317 E318 M319L312-D315 CarbonylContact O-C 3.48Å; L312-D315 PolarHBondContact O-N 3.2Å; L312-D315 VanDerWaalsContact O-N 3.08Å; I313-D315 VanDerWaalsContact C-N 3.34Å; D315-D317 PolarHBondContact O-N 3.17Å; D315-D317 WeakPolarHBondContact OD1-CA 3.5Å; D315-D317 VanDerWaalsContact OD1-CB 3.25Å; D315-D317 WeakPolarHBondContact OD1-CB 3.42Å; D315-D317 PolarHBondContact OD1-N 3.13Å; D315-E318 HydrophobicContact CB-CB 3.9Å; D315-E318 PolarHBondContact O-N 3.42Å; D315-E318 PolarHBondContact OD1-N 3.03Å; D315-E318 VanDerWaalsContact OD1-N 3.1Å; D315-M319 PolarHBondContact O-N 2.84Å; D315-M319 VanDerWaalsContact O-N 3.12Å
316P92.7Very high92.8Very high54 Ų5445.6 Ų45.635%0.35125%0.247SC..Hα-helixtrans-60.9-23.2175.8-24.735000114.1L262 R320L262-P316 HydrophobicContact CD1-CB 3.9Å; L262-P316 HydrophobicContact CD1-CG 4.43Å; P316-R320 VanDerWaalsContact O-CD 3.27Å; P316-R320 WeakPolarHBondContact O-CD 3.3Å; P316-R320 WeakPolarHBondContact O-CG 3.3Å; P316-R320 PolarHBondContact O-N 2.88Å; P316-R320 PolarHBondContact O-NE 2.89Å
317D91.7Very high93.2Very high34 Ų3443.7 Ų43.718%0.18223%0.231CC..Hα-helixtrans-75.5-44.1179-158.963.4000110.8D315 M319 R320 M321 Y349 R357D315-D317 PolarHBondContact O-N 3.17Å; D315-D317 WeakPolarHBondContact OD1-CA 3.5Å; D315-D317 VanDerWaalsContact OD1-CB 3.25Å; D315-D317 WeakPolarHBondContact OD1-CB 3.42Å; D315-D317 PolarHBondContact OD1-N 3.13Å; D317-M319 VanDerWaalsContact C-N 3.33Å; D317-M319 PolarHBondContact O-N 3.05Å; D317-R320 WeakPolarHBondContact O-CB 3.46Å; D317-R320 PolarHBondContact O-N 3.16Å; D317-R320 IonicContact OD1-NH1 3.67Å; D317-R320 PolarHBondContact OD1-NH1 3.47Å; D317-M321 PolarHBondContact O-N 3.23Å; D317-M321 VanDerWaalsContact O-N 3.16Å; D317-Y349 WeakPolarHBondContact OD1-CE1 3.44Å; D317-Y349 PolarHBondContact OD1-OH 3.37Å; D317-R357 IonicContact OD1-NH1 2.68Å; D317-R357 IonicContact OD1-NH2 3.22Å; D317-R357 IonicContact OD2-CZ 3.42Å; D317-R357 IonicContact OD2-NH1 3.19Å; D317-R357 PolarHBondContact OD2-NH1 3.5Å; D317-R357 IonicContact OD2-NH2 2.91Å; D317-R357 PolarHBondContact OD2-NH2 2.95Å
318E93.5Very high93.5Very high66 Ų6638.9 Ų38.931%0.30821%0.208SC..Hα-helixtrans-64.4-39.6176.9-154.866-178.500111.2L312 D315 R320 M321 Q322L312-E318 HydrophobicContact CD1-CB 3.79Å; L312-E318 HydrophobicContact CD1-CG 3.71Å; D315-E318 HydrophobicContact CB-CB 3.9Å; D315-E318 PolarHBondContact O-N 3.42Å; D315-E318 PolarHBondContact OD1-N 3.03Å; D315-E318 VanDerWaalsContact OD1-N 3.1Å; E318-R320 PolarHBondContact O-N 3.07Å; E318-M321 PolarHBondContact O-N 2.61Å; E318-Q322 WeakPolarHBondContact O-CG 3.46Å; E318-Q322 PolarHBondContact O-N 3.07Å
319M95.4Very high93.6Very high2 Ų237.8 Ų37.81%0.0120%0.2CC..Hα-helixtrans-54.2-35.6170.9-72.6-169.376.200113.2L262 A265 M266 W269 L312 D315 D317 A323L262-M319 HydrophobicContact CB-CE 3.74Å; L262-M319 HydrophobicContact CB-SD 3.84Å; L262-M319 HydrophobicContact CD1-SD 3.99Å; L262-M319 HydrophobicContact CD2-CB 4.33Å; L262-M319 HydrophobicContact CD2-CE 3.98Å; L262-M319 HydrophobicContact CD2-SD 4.05Å; L262-M319 HydrophobicContact CG-CE 4.35Å; L262-M319 HydrophobicContact CG-SD 4.16Å; L262-M319 WeakPolarHBondContact O-CE 3.43Å; A265-M319 HydrophobicContact CB-CE 4.44Å; M266-M319 HydrophobicContact CG-CE 3.64Å; M266-M319 HydrophobicContact SD-CE 3.57Å; M266-M319 VanDerWaalsContact SD-CE 3.57Å; M266-M319 HydrophobicContact SD-SD 4.41Å; W269-M319 HydrophobicContact CE3-CE 4.45Å; W269-M319 HydrophobicContact CH2-CE 4.48Å; W269-M319 HydrophobicContact CZ3-CE 3.74Å; L312-M319 HydrophobicContact CD1-CG 4.41Å; L312-M319 HydrophobicContact CD2-CB 4.42Å; L312-M319 HydrophobicContact CD2-CG 3.72Å; L312-M319 HydrophobicContact CG-CB 4.44Å; L312-M319 HydrophobicContact CG-CG 3.53Å; L312-M319 WeakPolarHBondContact O-CG 3.37Å; D315-M319 PolarHBondContact O-N 2.84Å; D315-M319 VanDerWaalsContact O-N 3.12Å; D317-M319 VanDerWaalsContact C-N 3.33Å; D317-M319 PolarHBondContact O-N 3.05Å; M319-A323 PolarHBondContact O-N 2.88Å; M319-A323 VanDerWaalsContact O-N 3.11Å
320R95.7Very high93.8Very high72 Ų7239 Ų3927%0.27221%0.207SC..Hα-helixtrans-73-38.3178.6-62.8159.7-172.5146.52.7110.8V256 P316 D317 E318 Q322 A323 L324 R345V256-R320 HydrophobicContact CG1-CG 4.11Å; P316-R320 VanDerWaalsContact O-CD 3.27Å; P316-R320 WeakPolarHBondContact O-CD 3.3Å; P316-R320 WeakPolarHBondContact O-CG 3.3Å; P316-R320 PolarHBondContact O-N 2.88Å; P316-R320 PolarHBondContact O-NE 2.89Å; D317-R320 WeakPolarHBondContact O-CB 3.46Å; D317-R320 PolarHBondContact O-N 3.16Å; D317-R320 IonicContact OD1-NH1 3.67Å; D317-R320 PolarHBondContact OD1-NH1 3.47Å; E318-R320 PolarHBondContact O-N 3.07Å; R320-Q322 VanDerWaalsContact C-N 3.35Å; R320-A323 PolarHBondContact O-N 2.73Å; R320-L324 WeakPolarHBondContact O-CG 3.42Å; R320-L324 PolarHBondContact O-N 3Å; R320-R345 VanDerWaalsContact CG-CZ 3.47Å
321M95.8Very high94.2Very high0 Ų035.7 Ų35.70%019%0.191CC..Hα-helixtrans-66.9-38.9175.2-60.3-57.191.600110.9Y297 A300 D317 E318 A323 L324 L325 R345 Y349Y297-M321 HydrophobicContact CD1-SD 4.43Å; A300-M321 HydrophobicContact CB-CB 3.79Å; A300-M321 HydrophobicContact CB-CG 4.43Å; D317-M321 PolarHBondContact O-N 3.23Å; D317-M321 VanDerWaalsContact O-N 3.16Å; E318-M321 PolarHBondContact O-N 2.61Å; M321-A323 VanDerWaalsContact C-N 3.33Å; M321-A323 PolarHBondContact O-N 3.11Å; M321-L324 HydrophobicContact CE-CD1 3.84Å; M321-L324 PolarHBondContact O-N 3.29Å; M321-L324 VanDerWaalsContact O-N 3.17Å; M321-L324 HydrophobicContact SD-CD1 4.47Å; M321-L325 WeakPolarHBondContact O-CG 3.34Å; M321-L325 PolarHBondContact O-N 3.12Å; M321-R345 HydrophobicContact CE-CG 4.17Å; M321-Y349 HydrophobicContact CE-CE2 4.39Å
322Q95.8Very high94.3Very high4 Ų433.6 Ų33.62%0.01918%0.176CC..Hα-helixtrans-56.2-45.4171.4-66.9-57.2-51.700112.1W269 Q301 E302 V303 L312 E318 R320 L324 L325 V326W269-Q322 HydrophobicContact CH2-CB 3.94Å; W269-Q322 HydrophobicContact CZ2-CB 4.5Å; W269-Q322 HydrophobicContact CZ3-CB 4.37Å; Q301-Q322 PolarHBondContact O-NE2 3.45Å; E302-Q322 VanDerWaalsContact CA-OE1 3.27Å; V303-Q322 HydrophobicContact CG1-CG 4.49Å; L312-Q322 HydrophobicContact CD1-CG 3.64Å; L312-Q322 HydrophobicContact CD2-CB 4.33Å; L312-Q322 HydrophobicContact CD2-CG 3.7Å; L312-Q322 HydrophobicContact CG-CG 4.32Å; E318-Q322 WeakPolarHBondContact O-CG 3.46Å; E318-Q322 PolarHBondContact O-N 3.07Å; R320-Q322 VanDerWaalsContact C-N 3.35Å; Q322-L324 VanDerWaalsContact C-N 3.31Å; Q322-L324 PolarHBondContact O-N 2.89Å; Q322-L325 PolarHBondContact O-N 3.23Å; Q322-V326 WeakPolarHBondContact O-CB 3.47Å; Q322-V326 VanDerWaalsContact O-CG2 3.23Å; Q322-V326 WeakPolarHBondContact O-CG2 3.28Å; Q322-V326 PolarHBondContact O-N 3.11Å
323A97.5Very high94.4Very high0 Ų035.3 Ų35.30%019%0.188CC..Hα-helixtrans-62.2-36.5178.400000113A253 V256 W269 M319 R320 M321 R327A253-A323 HydrophobicContact CB-CB 3.88Å; V256-A323 HydrophobicContact CB-CB 3.84Å; V256-A323 HydrophobicContact CG1-CB 3.88Å; V256-A323 HydrophobicContact CG2-CB 4.23Å; W269-A323 HydrophobicContact CZ2-CB 4.44Å; M319-A323 PolarHBondContact O-N 2.88Å; M319-A323 VanDerWaalsContact O-N 3.11Å; R320-A323 PolarHBondContact O-N 2.73Å; M321-A323 VanDerWaalsContact C-N 3.33Å; M321-A323 PolarHBondContact O-N 3.11Å; A323-R327 WeakPolarHBondContact O-CB 3Å; A323-R327 PolarHBondContact O-N 3.03Å; A323-R327 VanDerWaalsContact O-N 3.16Å; A323-R327 PolarHBondContact O-NH1 2.98Å
324L97.1Very high94.7Very high2 Ų234.5 Ų34.51%0.0119%0.189CC..Hα-helixtrans-69.2-46.7175.6-63.9-176.5000111.7Y297 R320 M321 Q322 V326 R327 E328 I342 R345 L361Y297-L324 HydrophobicContact CD1-CD1 3.97Å; Y297-L324 HydrophobicContact CE1-CB 4.11Å; Y297-L324 HydrophobicContact CE1-CD1 3.61Å; Y297-L324 HydrophobicContact CE1-CG 4.49Å; Y297-L324 HydrophobicContact CE2-CB 4.13Å; R320-L324 WeakPolarHBondContact O-CG 3.42Å; R320-L324 PolarHBondContact O-N 3Å; M321-L324 HydrophobicContact CE-CD1 3.84Å; M321-L324 PolarHBondContact O-N 3.29Å; M321-L324 VanDerWaalsContact O-N 3.17Å; M321-L324 HydrophobicContact SD-CD1 4.47Å; Q322-L324 VanDerWaalsContact C-N 3.31Å; Q322-L324 PolarHBondContact O-N 2.89Å; L324-V326 PolarHBondContact O-N 2.95Å; L324-R327 PolarHBondContact O-N 3.03Å; L324-E328 PolarHBondContact O-N 3.26Å; L324-I342 HydrophobicContact CD2-CG1 4.1Å; L324-R345 HydrophobicContact CD1-CB 4.43Å; L324-R345 HydrophobicContact CD1-CG 4.28Å; L324-L361 HydrophobicContact CD1-CD2 4.07Å
325L96.2Very high94.9Very high22 Ų2229.6 Ų29.612%0.11516%0.157CC..Hα-helixtrans-58-49.9177.6-71.4166.5000111.9I294 Y297 A300 E302 M321 Q322 R327 E328 R329I294-L325 HydrophobicContact CD1-CD2 4.34Å; Y297-L325 HydrophobicContact CD2-CD2 3.72Å; Y297-L325 HydrophobicContact CD2-CG 4.12Å; Y297-L325 HydrophobicContact CE2-CD2 4.17Å; A300-L325 HydrophobicContact CB-CD1 4.07Å; E302-L325 HydrophobicContact CG-CB 3.67Å; E302-L325 HydrophobicContact CG-CD1 4.21Å; M321-L325 WeakPolarHBondContact O-CG 3.34Å; M321-L325 PolarHBondContact O-N 3.12Å; Q322-L325 PolarHBondContact O-N 3.23Å; L325-R327 VanDerWaalsContact C-N 3.29Å; L325-R327 PolarHBondContact O-N 2.95Å; L325-E328 PolarHBondContact O-N 3.38Å; L325-R329 WeakPolarHBondContact O-CB 3.14Å; L325-R329 PolarHBondContact O-N 2.93Å
326V96.6Very high94.9Very high3 Ų327.8 Ų27.82%0.01815%0.15CC..Hα-helixtrans-58-43.6177.9168.30000111E249 A253 Q322 L324 R329 I330E249-V326 HydrophobicContact CB-CG1 3.85Å; A253-V326 HydrophobicContact CB-CB 4.37Å; A253-V326 HydrophobicContact CB-CG1 4.15Å; Q322-V326 WeakPolarHBondContact O-CB 3.47Å; Q322-V326 VanDerWaalsContact O-CG2 3.23Å; Q322-V326 WeakPolarHBondContact O-CG2 3.28Å; Q322-V326 PolarHBondContact O-N 3.11Å; L324-V326 PolarHBondContact O-N 2.95Å; V326-R329 PolarHBondContact O-N 3.45Å; V326-I330 HydrophobicContact CG1-CD1 3.68Å; V326-I330 WeakPolarHBondContact O-CB 3.21Å; V326-I330 VanDerWaalsContact O-CG1 3.31Å; V326-I330 WeakPolarHBondContact O-CG1 3.33Å; V326-I330 PolarHBondContact O-N 3.25Å
327R96.9Very high95Very high2 Ų227.2 Ų27.21%0.00814%0.144CC..Hα-helixtrans-67.1-44.2-179.3-174.4167.1-74.499.9-6.3111.9L250 A253 T254 D257 A323 L324 L325 I330 L331L250-R327 HydrophobicContact CD1-CB 4.49Å; L250-R327 HydrophobicContact CD1-CG 4.37Å; A253-R327 PolarHBondContact O-NH2 3.35Å; T254-R327 PolarHBondContact OG1-NH2 2.98Å; D257-R327 IonicContact OD2-CZ 3.01Å; D257-R327 IonicContact OD2-NH1 2.68Å; D257-R327 PolarHBondContact OD2-NH1 3.27Å; D257-R327 IonicContact OD2-NH2 2.78Å; A323-R327 WeakPolarHBondContact O-CB 3Å; A323-R327 PolarHBondContact O-N 3.03Å; A323-R327 VanDerWaalsContact O-N 3.16Å; A323-R327 PolarHBondContact O-NH1 2.98Å; L324-R327 PolarHBondContact O-N 3.03Å; L325-R327 VanDerWaalsContact C-N 3.29Å; L325-R327 PolarHBondContact O-N 2.95Å; R327-I330 PolarHBondContact O-N 3.49Å; R327-L331 HydrophobicContact CG-CD1 3.5Å; R327-L331 VanDerWaalsContact CG-CD1 3.5Å; R327-L331 HydrophobicContact CG-CG 3.99Å; R327-L331 VanDerWaalsContact O-CB 3.26Å; R327-L331 WeakPolarHBondContact O-CB 3.34Å; R327-L331 PolarHBondContact O-N 2.97Å
328E95.5Very high95.2Very high41 Ų4125.7 Ų25.719%0.19214%0.136CC..Hα-helixtrans-64.4-40.3178-173172.4165.300111.9Y297 L324 L325 G332 T338 Y364 M368Y297-E328 PolarHBondContact OH-OE2 3.19Å; L324-E328 PolarHBondContact O-N 3.26Å; L325-E328 PolarHBondContact O-N 3.38Å; E328-G332 WeakPolarHBondContact O-CA 3.29Å; E328-G332 PolarHBondContact O-N 3.26Å; E328-T338 HydrophobicContact CB-CG2 3.99Å; E328-T338 HydrophobicContact CG-CG2 4.17Å; E328-Y364 PolarHBondContact OE1-OH 3.18Å; E328-Y364 PolarHBondContact OE2-OH 3.11Å; E328-Y364 VanDerWaalsContact OE2-OH 3.13Å; E328-M368 HydrophobicContact CG-CE 4.01Å; E328-M368 WeakPolarHBondContact OE1-CE 3.37Å; E328-M368 WeakPolarHBondContact OE2-CE 3.38Å
329R95Very high95.2Very high65 Ų6522.6 Ų22.625%0.24512%0.121CC..Hα-helixtrans-63-46.2175.7176.6175.35481.2-2.2112.6D246 E249 E302 L325 V326D246-R329 IonicContact OD1-NH1 3.83Å; D246-R329 PolarHBondContact OD1-NH1 2.87Å; E249-R329 IonicContact OE2-CZ 3.47Å; E249-R329 IonicContact OE2-NH1 3.45Å; E249-R329 PolarHBondContact OE2-NH1 2.89Å; E249-R329 IonicContact OE2-NH2 3.49Å; E249-R329 PolarHBondContact OE2-NH2 3.26Å; E302-R329 WeakPolarHBondContact OE1-CD 3.25Å; E302-R329 IonicContact OE1-CZ 2.61Å; E302-R329 IonicContact OE1-NE 2.89Å; E302-R329 PolarHBondContact OE1-NE 2.92Å; E302-R329 IonicContact OE1-NH2 2.65Å; E302-R329 IonicContact OE2-CZ 3.23Å; E302-R329 IonicContact OE2-NE 2.53Å; E302-R329 PolarHBondContact OE2-NE 3.18Å; E302-R329 IonicContact OE2-NH2 2.71Å; E302-R329 PolarHBondContact OE2-NH2 3.19Å; L325-R329 WeakPolarHBondContact O-CB 3.14Å; L325-R329 PolarHBondContact O-N 2.93Å; V326-R329 PolarHBondContact O-N 3.45Å
330I96.1Very high95.2Very high28 Ų2828.1 Ų28.114%0.14414%0.143CC..Hα-helixtrans-83.9-43.6-170.8-63.4172.3000111.9L219 D246 E249 L250 V326 R327L219-I330 HydrophobicContact CD2-CG2 3.92Å; D246-I330 HydrophobicContact CB-CD1 3.96Å; D246-I330 HydrophobicContact CB-CG1 4.25Å; D246-I330 HydrophobicContact CB-CG2 4.23Å; D246-I330 VanDerWaalsContact O-CD1 3.32Å; D246-I330 WeakPolarHBondContact O-CD1 3.14Å; E249-I330 HydrophobicContact CB-CD1 4.05Å; L250-I330 HydrophobicContact CB-CD1 3.95Å; L250-I330 HydrophobicContact CB-CG2 4.48Å; L250-I330 HydrophobicContact CD2-CG2 4.03Å; V326-I330 HydrophobicContact CG1-CD1 3.68Å; V326-I330 WeakPolarHBondContact O-CB 3.21Å; V326-I330 VanDerWaalsContact O-CG1 3.31Å; V326-I330 WeakPolarHBondContact O-CG1 3.33Å; V326-I330 PolarHBondContact O-N 3.25Å; R327-I330 PolarHBondContact O-N 3.49Å
331L96.3Very high95.3Very high16 Ų1625.3 Ų25.38%0.08413%0.132CC..Hα-helixtrans-89-24.5-177.8-56.8-171.6000112.8M215 V223 L250 R327 H335 D337M215-L331 HydrophobicContact CE-CD2 3.65Å; M215-L331 HydrophobicContact SD-CD2 3.47Å; M215-L331 WeakPolarHBondContact SD-CD2 3.4Å; V223-L331 HydrophobicContact CG2-CD1 4.07Å; V223-L331 HydrophobicContact CG2-CD2 3.94Å; L250-L331 HydrophobicContact CD1-CD1 4.29Å; L250-L331 HydrophobicContact CD1-CD2 4.31Å; L250-L331 HydrophobicContact CD1-CG 4.12Å; L250-L331 HydrophobicContact CD2-CD2 3.71Å; L250-L331 HydrophobicContact CD2-CG 4.41Å; R327-L331 HydrophobicContact CG-CD1 3.5Å; R327-L331 VanDerWaalsContact CG-CD1 3.5Å; R327-L331 HydrophobicContact CG-CG 3.99Å; R327-L331 VanDerWaalsContact O-CB 3.26Å; R327-L331 WeakPolarHBondContact O-CB 3.34Å; R327-L331 PolarHBondContact O-N 2.97Å; L331-H335 HydrophobicContact CB-CB 3.73Å; L331-H335 WeakPolarHBondContact O-CB 3.43Å; L331-D337 HydrophobicContact CD1-CB 4.02Å
332G94.5Very high95.3Very high18 Ų1825.3 Ų25.319%0.18613%0.132CC..  trans75.4173.2-173.100000113.7E328 S334 T338E328-G332 WeakPolarHBondContact O-CA 3.29Å; E328-G332 PolarHBondContact O-N 3.26Å; G332-S334 PolarHBondContact O-N 2.74Å; G332-T338 WeakPolarHBondContact O-CB 3.43Å; G332-T338 PolarHBondContact O-OG1 3.44Å
333P92.6Very high95.4Very high44 Ų4426.5 Ų26.529%0.28614%0.137SC..THydrogen-bonded Turntrans-75.9-20.4-174.930.1-37.1000114.3M368 N372P333-M368 HydrophobicContact CB-CE 4.4Å; P333-M368 HydrophobicContact CB-CG 3.34Å; P333-M368 HydrophobicContact CB-SD 3.78Å; P333-N372 HydrophobicContact CB-CB 4.43Å; P333-N372 WeakPolarHBondContact CB-ND2 3.39Å; P333-N372 HydrophobicContact CG-CB 4.49Å; P333-N372 WeakPolarHBondContact CG-OD1 3.4Å
334S91Very high95.3Very high60 Ų6029 Ų2942%0.4215%0.147SC..THydrogen-bonded Turntrans-81.9-20.2-179.6-53.70000113.2G332G332-S334 PolarHBondContact O-N 2.74Å
335H94.4Very high95.2Very high17 Ų1729.5 Ų29.58%0.07915%0.148CC..SBendtrans-71.6134.4-179.3-171.7-72.3000110.9L331 D337 T338L331-H335 HydrophobicContact CB-CB 3.73Å; L331-H335 WeakPolarHBondContact O-CB 3.43Å; H335-D337 VanDerWaalsContact C-N 3.35Å; H335-D337 IonicContact CE1-OD1 2.95Å; H335-D337 WeakPolarHBondContact ND1-CB 3.34Å; H335-D337 PolarHBondContact ND1-N 3.07Å; H335-D337 PolarHBondContact O-N 3.36Å; H335-T338 PolarHBondContact O-N 3.21Å
336P92.4Very high95.2Very high34 Ų3428.5 Ų28.522%0.22114%0.143CC..Hα-helixtrans-54.4-44.7-175.9-28.635.4000115.4Y213 T338 S339 Y340 M379Y213-P336 HydrophobicContact CE1-CG 4.3Å; P336-T338 VanDerWaalsContact C-N 3.28Å; P336-T338 PolarHBondContact O-N 3.21Å; P336-S339 PolarHBondContact O-N 3.25Å; P336-S339 PolarHBondContact O-OG 3.08Å; P336-Y340 WeakPolarHBondContact O-CB 3.42Å; P336-Y340 PolarHBondContact O-N 2.71Å; P336-M379 VanDerWaalsContact CA-CE 3.46Å; P336-M379 HydrophobicContact CB-CE 3.93Å; P336-M379 HydrophobicContact CB-SD 3.91Å; P336-M379 HydrophobicContact CG-CE 4.42Å; P336-M379 HydrophobicContact CG-SD 3.96Å
337D94.3Very high95Very high41 Ų4129.8 Ų29.822%0.21915%0.154CC..Hα-helixtrans-61.8-29.7-178-76.837.3000114.2V223 L331 H335 Y340 Y341V223-D337 WeakPolarHBondContact CG1-OD2 3.34Å; L331-D337 HydrophobicContact CD1-CB 4.02Å; H335-D337 VanDerWaalsContact C-N 3.35Å; H335-D337 IonicContact CE1-OD1 2.95Å; H335-D337 WeakPolarHBondContact ND1-CB 3.34Å; H335-D337 PolarHBondContact ND1-N 3.07Å; H335-D337 PolarHBondContact O-N 3.36Å; D337-Y340 PolarHBondContact O-N 2.8Å; D337-Y341 HydrophobicContact CB-CD2 4.05Å; D337-Y341 HydrophobicContact CB-CE2 4.18Å; D337-Y341 WeakPolarHBondContact O-CB 3.38Å; D337-Y341 VanDerWaalsContact O-CD2 3.26Å; D337-Y341 WeakPolarHBondContact O-CD2 3.42Å; D337-Y341 PolarHBondContact O-N 3.41Å
338T95.8Very high94.8Very high2 Ų231.4 Ų31.41%0.01216%0.164CC..Hα-helixtrans-60.4-58.8178.5-52.30000109.7E328 G332 H335 P336 Y340 Y341 I342 M368E328-T338 HydrophobicContact CB-CG2 3.99Å; E328-T338 HydrophobicContact CG-CG2 4.17Å; G332-T338 WeakPolarHBondContact O-CB 3.43Å; G332-T338 PolarHBondContact O-OG1 3.44Å; H335-T338 PolarHBondContact O-N 3.21Å; P336-T338 VanDerWaalsContact C-N 3.28Å; P336-T338 PolarHBondContact O-N 3.21Å; T338-Y340 VanDerWaalsContact C-N 3.29Å; T338-Y340 PolarHBondContact O-N 2.92Å; T338-Y341 PolarHBondContact O-N 2.96Å; T338-I342 HydrophobicContact CG2-CD1 4.26Å; T338-I342 WeakPolarHBondContact O-CD1 3.3Å; T338-I342 VanDerWaalsContact O-CG1 3.24Å; T338-I342 WeakPolarHBondContact O-CG1 3.28Å; T338-I342 PolarHBondContact O-N 3.48Å; T338-M368 HydrophobicContact CG2-CE 4.17Å; T338-M368 HydrophobicContact CG2-SD 3.74Å
339S95.1Very high94.7Very high1 Ų130.3 Ų30.31%0.00716%0.158CC..Hα-helixtrans-64.3-34.3177.875.50000112.7P336 R343 Q369 M379P336-S339 PolarHBondContact O-N 3.25Å; P336-S339 PolarHBondContact O-OG 3.08Å; S339-R343 WeakPolarHBondContact O-CG 3.44Å; S339-R343 PolarHBondContact O-N 2.99Å; S339-R343 VanDerWaalsContact O-N 3.07Å; S339-R343 PolarHBondContact O-NH1 3.39Å; S339-R343 PolarHBondContact OG-NH1 2.97Å; S339-Q369 PolarHBondContact OG-NE2 3.15Å; S339-M379 VanDerWaalsContact OG-CE 3.24Å; S339-M379 WeakPolarHBondContact OG-CE 3.33Å
340Y95.5Very high94.5Very high118 Ų11827.8 Ų27.846%0.46315%0.152SC..Hα-helixtrans-63-49.3178.5174-93.8000111.5P336 D337 T338 R343 Y344P336-Y340 WeakPolarHBondContact O-CB 3.42Å; P336-Y340 PolarHBondContact O-N 2.71Å; D337-Y340 PolarHBondContact O-N 2.8Å; T338-Y340 VanDerWaalsContact C-N 3.29Å; T338-Y340 PolarHBondContact O-N 2.92Å; Y340-R343 PolarHBondContact O-N 2.94Å; Y340-Y344 WeakPolarHBondContact O-CB 3.42Å; Y340-Y344 PolarHBondContact O-N 3.13Å
341Y96.7Very high94.1Very high13 Ų1333.3 Ų33.35%0.05118%0.181CC..Hα-helixtrans-71.6-30.8-177.3-80.9-65.5000112.9D257 K258 D337 T338 Y344 R345D257-Y341 HydrophobicContact CB-CD1 3.39Å; D257-Y341 HydrophobicContact CB-CE1 3.51Å; D257-Y341 HydrophobicContact CB-CG 4.23Å; K258-Y341 WeakPolarHBondContact CB-OH 3.49Å; D337-Y341 HydrophobicContact CB-CD2 4.05Å; D337-Y341 HydrophobicContact CB-CE2 4.18Å; D337-Y341 WeakPolarHBondContact O-CB 3.38Å; D337-Y341 VanDerWaalsContact O-CD2 3.26Å; D337-Y341 WeakPolarHBondContact O-CD2 3.42Å; D337-Y341 PolarHBondContact O-N 3.41Å; T338-Y341 PolarHBondContact O-N 2.96Å; Y341-Y344 HydrophobicContact CD1-CD1 4.15Å; Y341-Y344 PolarHBondContact O-N 3.22Å; Y341-R345 VanDerWaalsContact O-CB 3.31Å; Y341-R345 WeakPolarHBondContact O-CB 3.44Å; Y341-R345 PolarHBondContact O-N 3.17Å
342I97.2Very high93.7Very high1 Ų137.1 Ų37.11%0.00521%0.209CC..Hα-helixtrans-60.5-47168.6-61.7164.5000110Y297 L324 T338 R345 G346 L361 Y364 A365 M368Y297-I342 HydrophobicContact CE1-CG1 4.38Å; Y297-I342 WeakPolarHBondContact OH-CD1 3.45Å; Y297-I342 VanDerWaalsContact OH-CG1 3.27Å; Y297-I342 WeakPolarHBondContact OH-CG1 3.49Å; L324-I342 HydrophobicContact CD2-CG1 4.1Å; T338-I342 HydrophobicContact CG2-CD1 4.26Å; T338-I342 WeakPolarHBondContact O-CD1 3.3Å; T338-I342 VanDerWaalsContact O-CG1 3.24Å; T338-I342 WeakPolarHBondContact O-CG1 3.28Å; T338-I342 PolarHBondContact O-N 3.48Å; I342-R345 PolarHBondContact O-N 3.43Å; I342-G346 PolarHBondContact O-N 3.31Å; I342-L361 HydrophobicContact CG2-CB 4.01Å; I342-L361 HydrophobicContact CG2-CD2 4.1Å; I342-L361 WeakPolarHBondContact CG2-O 3.37Å; I342-Y364 HydrophobicContact CD1-CD1 4.2Å; I342-Y364 HydrophobicContact CD1-CE1 4.23Å; I342-A365 HydrophobicContact CB-CB 4.08Å; I342-A365 HydrophobicContact CG2-CB 3.78Å; I342-M368 HydrophobicContact CD1-CE 3.79Å; I342-M368 HydrophobicContact CD1-SD 4.11Å
343R96.3Very high93.3Very high29 Ų2937.7 Ų37.711%0.10922%0.215CC..Hα-helixtrans-65.5-44.6177.3-71-162.8-50.6-75.40.8112.6S339 Y340 R345 G346 A347 W362 A365 S383S339-R343 WeakPolarHBondContact O-CG 3.44Å; S339-R343 PolarHBondContact O-N 2.99Å; S339-R343 VanDerWaalsContact O-N 3.07Å; S339-R343 PolarHBondContact O-NH1 3.39Å; S339-R343 PolarHBondContact OG-NH1 2.97Å; Y340-R343 PolarHBondContact O-N 2.94Å; R343-R345 VanDerWaalsContact C-N 3.3Å; R343-R345 PolarHBondContact O-N 3.49Å; R343-G346 WeakPolarHBondContact O-CA 3.39Å; R343-G346 PolarHBondContact O-N 2.91Å; R343-G346 VanDerWaalsContact O-N 3.13Å; R343-A347 PolarHBondContact O-N 3.08Å; R343-W362 HydrophobicContact CG-CG 4.34Å; R343-W362 PolarHBondContact O-NE1 3.35Å; R343-A365 HydrophobicContact CG-CB 4Å; R343-S383 WeakPolarHBondContact CD-OG 3.45Å; R343-S383 PolarHBondContact NE-OG 2.66Å; R343-S383 PolarHBondContact NH1-OG 2.92Å
344Y95.3Very high93.1Very high52 Ų5238.6 Ų38.620%0.20422%0.218CC..Hα-helixtrans-57.2-44.9176.1169.8-100.5000111.2D257 R260 Y340 Y341 G346 A347 V348D257-Y344 VanDerWaalsContact O-CE1 3.29Å; D257-Y344 WeakPolarHBondContact O-CE1 3.21Å; D257-Y344 PolarHBondContact O-OH 2.92Å; R260-Y344 PolarHBondContact NE-OH 3.29Å; R260-Y344 PolarHBondContact NH2-OH 2.97Å; Y340-Y344 WeakPolarHBondContact O-CB 3.42Å; Y340-Y344 PolarHBondContact O-N 3.13Å; Y341-Y344 HydrophobicContact CD1-CD1 4.15Å; Y341-Y344 PolarHBondContact O-N 3.22Å; Y344-G346 VanDerWaalsContact C-N 3.33Å; Y344-G346 PolarHBondContact O-N 2.85Å; Y344-A347 WeakPolarHBondContact O-CB 3.4Å; Y344-A347 PolarHBondContact O-N 3.41Å; Y344-A347 VanDerWaalsContact O-N 3.15Å; Y344-V348 HydrophobicContact CE1-CG2 4.13Å; Y344-V348 HydrophobicContact CE2-CG2 4.28Å; Y344-V348 WeakPolarHBondContact O-CG2 3.48Å; Y344-V348 PolarHBondContact O-N 3.45Å
345R95.9Very high93Very high13 Ų1336.3 Ų36.35%0.04920%0.2CC..Hα-helixtrans-62.2-42176.4-176.456.659.3-163.92.5111.7D257 R320 M321 L324 Y341 I342 R343 A347 V348 Y349 L361D257-R345 IonicContact OD1-CZ 3.98Å; D257-R345 IonicContact OD1-NE 3.52Å; D257-R345 IonicContact OD1-NH2 3.43Å; D257-R345 PolarHBondContact OD1-NH2 3.36Å; R320-R345 VanDerWaalsContact CG-CZ 3.47Å; M321-R345 HydrophobicContact CE-CG 4.17Å; L324-R345 HydrophobicContact CD1-CB 4.43Å; L324-R345 HydrophobicContact CD1-CG 4.28Å; Y341-R345 VanDerWaalsContact O-CB 3.31Å; Y341-R345 WeakPolarHBondContact O-CB 3.44Å; Y341-R345 PolarHBondContact O-N 3.17Å; I342-R345 PolarHBondContact O-N 3.43Å; R343-R345 VanDerWaalsContact C-N 3.3Å; R343-R345 PolarHBondContact O-N 3.49Å; R345-A347 VanDerWaalsContact C-N 3.33Å; R345-A347 PolarHBondContact O-N 3.43Å; R345-V348 PolarHBondContact O-N 2.89Å; R345-Y349 HydrophobicContact CG-CD2 4.15Å; R345-Y349 HydrophobicContact CG-CE2 3.65Å; R345-Y349 WeakPolarHBondContact O-CD2 3.36Å; R345-Y349 PolarHBondContact O-N 3.03Å; R345-Y349 VanDerWaalsContact O-N 3.14Å; R345-L361 HydrophobicContact CB-CD1 4.42Å; R345-L361 HydrophobicContact CG-CD1 4.05Å
346G95.3Very high92.8Very high0 Ų042.8 Ų42.80%023%0.23CC..Hα-helixtrans-57.1-44.617200000112.6I342 R343 Y344 V348 Y349 A350 C358I342-G346 PolarHBondContact O-N 3.31Å; R343-G346 WeakPolarHBondContact O-CA 3.39Å; R343-G346 PolarHBondContact O-N 2.91Å; R343-G346 VanDerWaalsContact O-N 3.13Å; Y344-G346 VanDerWaalsContact C-N 3.33Å; Y344-G346 PolarHBondContact O-N 2.85Å; G346-V348 PolarHBondContact O-N 2.89Å; G346-Y349 WeakPolarHBondContact O-CB 3.48Å; G346-Y349 PolarHBondContact O-N 3.13Å; G346-Y349 VanDerWaalsContact O-N 3.12Å; G346-A350 PolarHBondContact O-N 2.97Å; G346-C358 WeakPolarHBondContact O-CB 3.27Å; G346-C358 PolarHBondContact O-SG 3.01Å
347A93.4Very high92.7Very high31 Ų3144.1 Ų44.126%0.25623%0.231SC..Hα-helixtrans-60.5-42.6176.800000112.2R343 Y344 R345 Y349 A350 D351 W362R343-A347 PolarHBondContact O-N 3.08Å; Y344-A347 WeakPolarHBondContact O-CB 3.4Å; Y344-A347 PolarHBondContact O-N 3.41Å; Y344-A347 VanDerWaalsContact O-N 3.15Å; R345-A347 VanDerWaalsContact C-N 3.33Å; R345-A347 PolarHBondContact O-N 3.43Å; A347-Y349 VanDerWaalsContact C-N 3.28Å; A347-Y349 PolarHBondContact O-N 3.14Å; A347-A350 WeakPolarHBondContact O-CA 3.38Å; A347-A350 WeakPolarHBondContact O-CB 3.32Å; A347-A350 PolarHBondContact O-N 3.29Å; A347-D351 PolarHBondContact O-N 3.03Å; A347-W362 HydrophobicContact CB-CZ2 4.24Å
348V93.1Very high92.7Very high36 Ų3642.1 Ų42.122%0.21822%0.221CC..Hα-helixtrans-61.2-35.9175.6174.80000112.1Y344 R345 G346 S352Y344-V348 HydrophobicContact CE1-CG2 4.13Å; Y344-V348 HydrophobicContact CE2-CG2 4.28Å; Y344-V348 WeakPolarHBondContact O-CG2 3.48Å; Y344-V348 PolarHBondContact O-N 3.45Å; R345-V348 PolarHBondContact O-N 2.89Å; G346-V348 PolarHBondContact O-N 2.89Å; V348-S352 PolarHBondContact O-N 3.35Å; V348-S352 PolarHBondContact O-OG 3.17Å
349Y92.4Very high92.6Very high17 Ų1742.5 Ų42.57%0.06722%0.222CC..Hα-helixtrans-69.1-39.4172.7-73.7-61.4000112.2D317 M321 R345 G346 A347 S352 G353 N354 R357 L361D317-Y349 WeakPolarHBondContact OD1-CE1 3.44Å; D317-Y349 PolarHBondContact OD1-OH 3.37Å; M321-Y349 HydrophobicContact CE-CE2 4.39Å; R345-Y349 HydrophobicContact CG-CD2 4.15Å; R345-Y349 HydrophobicContact CG-CE2 3.65Å; R345-Y349 WeakPolarHBondContact O-CD2 3.36Å; R345-Y349 PolarHBondContact O-N 3.03Å; R345-Y349 VanDerWaalsContact O-N 3.14Å; G346-Y349 WeakPolarHBondContact O-CB 3.48Å; G346-Y349 PolarHBondContact O-N 3.13Å; G346-Y349 VanDerWaalsContact O-N 3.12Å; A347-Y349 VanDerWaalsContact C-N 3.28Å; A347-Y349 PolarHBondContact O-N 3.14Å; Y349-S352 CarbonylContact O-C 3.59Å; Y349-S352 WeakPolarHBondContact O-CA 3.47Å; Y349-S352 WeakPolarHBondContact O-CB 2.94Å; Y349-S352 PolarHBondContact O-N 2.65Å; Y349-S352 VanDerWaalsContact O-N 3.11Å; Y349-G353 PolarHBondContact O-N 3.04Å; Y349-N354 CarbonylContact C-O 3.56Å; Y349-N354 WeakPolarHBondContact O-CA 3.2Å; Y349-N354 PolarHBondContact O-N 3.42Å; Y349-R357 HydrophobicContact CD1-CG 4.5Å; Y349-R357 HydrophobicContact CD2-CB 4.33Å; Y349-R357 HydrophobicContact CD2-CG 3.79Å; Y349-R357 HydrophobicContact CE2-CG 3.92Å; Y349-R357 HydrophobicContact CG-CB 4.22Å; Y349-R357 HydrophobicContact CG-CG 4.1Å; Y349-R357 VanDerWaalsContact OH-CZ 3.29Å; Y349-R357 PolarHBondContact OH-NH2 2.84Å; Y349-L361 HydrophobicContact CD2-CD1 3.62Å; Y349-L361 HydrophobicContact CE2-CD1 3.68Å
350A90.4Very high92.6Very high13 Ų1344.8 Ų44.811%0.10724%0.238CC..Hα-helixtrans-62.9-4117500000112.2G346 A347 S352 G353 F355 C358 L390G346-A350 PolarHBondContact O-N 2.97Å; A347-A350 WeakPolarHBondContact O-CA 3.38Å; A347-A350 WeakPolarHBondContact O-CB 3.32Å; A347-A350 PolarHBondContact O-N 3.29Å; A350-S352 PolarHBondContact O-N 3.31Å; A350-G353 WeakPolarHBondContact O-CA 3.27Å; A350-G353 PolarHBondContact O-N 3.48Å; A350-F355 HydrophobicContact CB-CD1 3.96Å; A350-F355 HydrophobicContact CB-CE1 4.03Å; A350-C358 HydrophobicContact CB-CB 3.91Å; A350-L390 HydrophobicContact CB-CD1 4.27Å
351D88.4Confident92.6Very high143 Ų14339.1 Ų39.177%0.76522%0.216SC*.Hα-helixtrans-60.1-28174-68.5-17.4000112.1A347 G353A347-D351 PolarHBondContact O-N 3.03Å; D351-G353 VanDerWaalsContact C-N 3.31Å
352S88.4Confident92.6Very high96 Ų9639.5 Ų39.567%0.67122%0.217SC*.THydrogen-bonded Turntrans-87.84.6175.3-50.40000113.2V348 Y349 A350V348-S352 PolarHBondContact O-N 3.35Å; V348-S352 PolarHBondContact O-OG 3.17Å; Y349-S352 CarbonylContact O-C 3.59Å; Y349-S352 WeakPolarHBondContact O-CA 3.47Å; Y349-S352 WeakPolarHBondContact O-CB 2.94Å; Y349-S352 PolarHBondContact O-N 2.65Å; Y349-S352 VanDerWaalsContact O-N 3.11Å; A350-S352 PolarHBondContact O-N 3.31Å
353G85.9Confident92.6Very high30 Ų3041.6 Ų41.631%0.30923%0.227SC..THydrogen-bonded Turntrans83.10.4-177.500000115.4Y349 A350 D351 F355Y349-G353 PolarHBondContact O-N 3.04Å; A350-G353 WeakPolarHBondContact O-CA 3.27Å; A350-G353 PolarHBondContact O-N 3.48Å; D351-G353 VanDerWaalsContact C-N 3.31Å; G353-F355 WeakPolarHBondContact O-CD2 3.37Å; G353-F355 PolarHBondContact O-N 2.94Å
354N88.8Confident92.6Very high64 Ų6442.8 Ų42.834%0.34223%0.231SC..  trans-90.573.9178.4-168.3-17.9000111.4Y349 E356 R357 C358Y349-N354 CarbonylContact C-O 3.56Å; Y349-N354 WeakPolarHBondContact O-CA 3.2Å; Y349-N354 PolarHBondContact O-N 3.42Å; N354-E356 VanDerWaalsContact C-N 3.34Å; N354-E356 PolarHBondContact O-N 2.9Å; N354-R357 VanDerWaalsContact OD1-CB 3.31Å; N354-R357 WeakPolarHBondContact OD1-CB 3.46Å; N354-R357 PolarHBondContact OD1-N 2.92Å; N354-R357 VanDerWaalsContact OD1-N 3.07Å; N354-C358 PolarHBondContact O-N 3.41Å
355F88.5Confident92.6Very high12 Ų1240.3 Ų40.35%0.05322%0.222CC..Hα-helixtrans-67.3-31.6180-62.5-73000113.5A350 G353 C358 I359 L390 V394 L403 T405A350-F355 HydrophobicContact CB-CD1 3.96Å; A350-F355 HydrophobicContact CB-CE1 4.03Å; G353-F355 WeakPolarHBondContact O-CD2 3.37Å; G353-F355 PolarHBondContact O-N 2.94Å; F355-C358 WeakPolarHBondContact O-CB 3.5Å; F355-C358 PolarHBondContact O-N 2.91Å; F355-I359 WeakPolarHBondContact O-CB 3.47Å; F355-I359 VanDerWaalsContact O-CG1 3.27Å; F355-I359 WeakPolarHBondContact O-CG1 3.34Å; F355-I359 PolarHBondContact O-N 3.04Å; F355-L390 HydrophobicContact CD1-CD1 4.02Å; F355-L390 HydrophobicContact CE1-CD1 4.06Å; F355-V394 HydrophobicContact CD1-CG2 3.84Å; F355-V394 HydrophobicContact CE1-CG2 3.62Å; F355-V394 HydrophobicContact CG-CG2 4.38Å; F355-V394 HydrophobicContact CZ-CG2 3.99Å; F355-L403 HydrophobicContact CE2-CD1 4.02Å; F355-L403 HydrophobicContact CE2-CD2 3.94Å; F355-L403 HydrophobicContact CZ-CD1 4.14Å; F355-T405 HydrophobicContact CB-CG2 4.37Å; F355-T405 HydrophobicContact CD2-CG2 4.43Å
356E89.1Confident92.6Very high152 Ų15239.7 Ų39.771%0.7122%0.219SC*.Hα-helixtrans-61.6-47.5179-174.7-179.4177.600110.9N354 C358 I359 S360N354-E356 VanDerWaalsContact C-N 3.34Å; N354-E356 PolarHBondContact O-N 2.9Å; E356-C358 VanDerWaalsContact C-N 3.34Å; E356-C358 PolarHBondContact O-N 3.32Å; E356-I359 PolarHBondContact O-N 3.43Å; E356-S360 WeakPolarHBondContact O-CB 3.41Å; E356-S360 PolarHBondContact O-N 3.12Å
357R91.6Very high92.6Very high62 Ų6242.5 Ų42.523%0.23423%0.234CC..Hα-helixtrans-66.6-36.6177.5-163.9161.8-171.8174.6-5.1112.3D317 Y349 N354 S360 L361D317-R357 IonicContact OD1-NH1 2.68Å; D317-R357 IonicContact OD1-NH2 3.22Å; D317-R357 IonicContact OD2-CZ 3.42Å; D317-R357 IonicContact OD2-NH1 3.19Å; D317-R357 PolarHBondContact OD2-NH1 3.5Å; D317-R357 IonicContact OD2-NH2 2.91Å; D317-R357 PolarHBondContact OD2-NH2 2.95Å; Y349-R357 HydrophobicContact CD1-CG 4.5Å; Y349-R357 HydrophobicContact CD2-CB 4.33Å; Y349-R357 HydrophobicContact CD2-CG 3.79Å; Y349-R357 HydrophobicContact CE2-CG 3.92Å; Y349-R357 HydrophobicContact CG-CB 4.22Å; Y349-R357 HydrophobicContact CG-CG 4.1Å; Y349-R357 VanDerWaalsContact OH-CZ 3.29Å; Y349-R357 PolarHBondContact OH-NH2 2.84Å; N354-R357 VanDerWaalsContact OD1-CB 3.31Å; N354-R357 WeakPolarHBondContact OD1-CB 3.46Å; N354-R357 PolarHBondContact OD1-N 2.92Å; N354-R357 VanDerWaalsContact OD1-N 3.07Å; R357-S360 PolarHBondContact O-N 3.22Å; R357-L361 HydrophobicContact CG-CD1 4.3Å; R357-L361 WeakPolarHBondContact O-CG 3.38Å; R357-L361 PolarHBondContact O-N 3.36Å
358C94Very high92.7Very high0 Ų041.5 Ų41.50%023%0.225CC..Hα-helixtrans-57.3-54171.9178.40000111.7G346 A350 N354 F355 E356 S360 L361 W362G346-C358 WeakPolarHBondContact O-CB 3.27Å; G346-C358 PolarHBondContact O-SG 3.01Å; A350-C358 HydrophobicContact CB-CB 3.91Å; N354-C358 PolarHBondContact O-N 3.41Å; F355-C358 WeakPolarHBondContact O-CB 3.5Å; F355-C358 PolarHBondContact O-N 2.91Å; E356-C358 VanDerWaalsContact C-N 3.34Å; E356-C358 PolarHBondContact O-N 3.32Å; C358-S360 VanDerWaalsContact C-N 3.31Å; C358-S360 PolarHBondContact O-N 3.05Å; C358-L361 PolarHBondContact O-N 3.44Å; C358-W362 WeakPolarHBondContact O-CB 3.45Å; C358-W362 PolarHBondContact O-N 3.02Å; C358-W362 VanDerWaalsContact SG-CE2 3.56Å
359I93Very high92.7Very high10 Ų1039.8 Ų39.85%0.05121%0.214CC..Hα-helixtrans-61.2-41-178.8-68.8166.4000110.7F355 E356 W362 K363 F387 L390 F391F355-I359 WeakPolarHBondContact O-CB 3.47Å; F355-I359 VanDerWaalsContact O-CG1 3.27Å; F355-I359 WeakPolarHBondContact O-CG1 3.34Å; F355-I359 PolarHBondContact O-N 3.04Å; E356-I359 PolarHBondContact O-N 3.43Å; I359-W362 PolarHBondContact O-N 2.91Å; I359-K363 HydrophobicContact CG2-CD 3.9Å; I359-K363 VanDerWaalsContact CG2-CE 3.41Å; I359-K363 HydrophobicContact CG2-CG 4.26Å; I359-K363 VanDerWaalsContact O-CB 3.31Å; I359-K363 WeakPolarHBondContact O-CB 3.43Å; I359-K363 VanDerWaalsContact O-CG 3.25Å; I359-K363 WeakPolarHBondContact O-CG 3.39Å; I359-K363 PolarHBondContact O-N 2.96Å; I359-F387 HydrophobicContact CG2-CE1 4.47Å; I359-L390 HydrophobicContact CG1-CD2 4.35Å; I359-F391 HydrophobicContact CD1-CE1 4.15Å; I359-F391 HydrophobicContact CG1-CE1 4.3Å
360S94.4Very high92.8Very high48 Ų4839.4 Ų39.434%0.33621%0.213SC..Hα-helixtrans-60.5-50.7177.3-173.90000112.2E356 R357 C358 W362 K363 Y364E356-S360 WeakPolarHBondContact O-CB 3.41Å; E356-S360 PolarHBondContact O-N 3.12Å; R357-S360 PolarHBondContact O-N 3.22Å; C358-S360 VanDerWaalsContact C-N 3.31Å; C358-S360 PolarHBondContact O-N 3.05Å; S360-W362 PolarHBondContact O-N 3.28Å; S360-K363 PolarHBondContact O-N 3.29Å; S360-Y364 PolarHBondContact O-N 2.99Å
361L96.8Very high92.9Very high0 Ų043 Ų430%024%0.238CC..Hα-helixtrans-61.6-44.3177.1-75167.3000112.1A296 Y297 L324 I342 R345 Y349 R357 C358 Y364 A365A296-L361 HydrophobicContact CB-CD2 4.39Å; A296-L361 WeakPolarHBondContact O-CD2 3.44Å; Y297-L361 HydrophobicContact CD1-CD2 3.76Å; Y297-L361 HydrophobicContact CE1-CD2 3.81Å; L324-L361 HydrophobicContact CD1-CD2 4.07Å; I342-L361 HydrophobicContact CG2-CB 4.01Å; I342-L361 HydrophobicContact CG2-CD2 4.1Å; I342-L361 WeakPolarHBondContact CG2-O 3.37Å; R345-L361 HydrophobicContact CB-CD1 4.42Å; R345-L361 HydrophobicContact CG-CD1 4.05Å; Y349-L361 HydrophobicContact CD2-CD1 3.62Å; Y349-L361 HydrophobicContact CE2-CD1 3.68Å; R357-L361 HydrophobicContact CG-CD1 4.3Å; R357-L361 WeakPolarHBondContact O-CG 3.38Å; R357-L361 PolarHBondContact O-N 3.36Å; C358-L361 PolarHBondContact O-N 3.44Å; L361-Y364 PolarHBondContact O-N 2.99Å; L361-A365 PolarHBondContact O-N 3.4Å
362W97Very high93.1Very high20 Ų2039.6 Ų39.68%0.07622%0.219CC..Hα-helixtrans-68.6-35.8-179.8-72.817.5000112.3R343 A347 C358 I359 S360 Y364 A365 L366 S386 F387 L390R343-W362 HydrophobicContact CG-CG 4.34Å; R343-W362 PolarHBondContact O-NE1 3.35Å; A347-W362 HydrophobicContact CB-CZ2 4.24Å; C358-W362 WeakPolarHBondContact O-CB 3.45Å; C358-W362 PolarHBondContact O-N 3.02Å; C358-W362 VanDerWaalsContact SG-CE2 3.56Å; I359-W362 PolarHBondContact O-N 2.91Å; S360-W362 PolarHBondContact O-N 3.28Å; W362-Y364 VanDerWaalsContact C-N 3.33Å; W362-A365 PolarHBondContact O-N 2.95Å; W362-L366 VanDerWaalsContact O-CB 3.31Å; W362-L366 WeakPolarHBondContact O-CB 3.47Å; W362-L366 PolarHBondContact O-N 3.3Å; W362-S386 VanDerWaalsContact CZ3-C 3.44Å; W362-S386 VanDerWaalsContact CZ3-O 3.31Å; W362-S386 WeakPolarHBondContact CZ3-O 3.24Å; W362-F387 HydrophobicContact CB-CE1 3.8Å; W362-F387 HydrophobicContact CB-CE2 3.65Å; W362-F387 HydrophobicContact CB-CZ 3.2Å; W362-F387 AromaticContact CE3-CD1 3.8Å; W362-F387 HydrophobicContact CE3-CD1 3.8Å; W362-F387 HydrophobicContact CE3-CD2 4.2Å; W362-F387 AromaticContact CE3-CE1 3.94Å; W362-F387 HydrophobicContact CE3-CE1 3.94Å; W362-F387 HydrophobicContact CE3-CE2 4.32Å; W362-F387 AromaticContact CE3-CG 3.96Å; W362-F387 HydrophobicContact CE3-CG 3.96Å; W362-F387 HydrophobicContact CE3-CZ 4.22Å; W362-F387 HydrophobicContact CG-CZ 4.32Å; W362-F387 HydrophobicContact CZ3-CD1 4.45Å; W362-F387 HydrophobicContact CZ3-CG 4.5Å; W362-L390 HydrophobicContact CE3-CD2 4.15Å; W362-L390 HydrophobicContact CH2-CB 4.16Å; W362-L390 HydrophobicContact CH2-CD2 4.18Å; W362-L390 HydrophobicContact CZ3-CB 3.82Å; W362-L390 HydrophobicContact CZ3-CD2 3.73Å; W362-L390 HydrophobicContact CZ3-CG 4.37Å
363K95.5Very high93.3Very high46 Ų4636.2 Ų36.220%0.219%0.194CC..Hα-helixtrans-62-44.9174.3-81.1175.5-178.5170.20110I359 S360 L366 D367 F387 D411I359-K363 HydrophobicContact CG2-CD 3.9Å; I359-K363 VanDerWaalsContact CG2-CE 3.41Å; I359-K363 HydrophobicContact CG2-CG 4.26Å; I359-K363 VanDerWaalsContact O-CB 3.31Å; I359-K363 WeakPolarHBondContact O-CB 3.43Å; I359-K363 VanDerWaalsContact O-CG 3.25Å; I359-K363 WeakPolarHBondContact O-CG 3.39Å; I359-K363 PolarHBondContact O-N 2.96Å; S360-K363 PolarHBondContact O-N 3.29Å; K363-L366 PolarHBondContact O-N 3.17Å; K363-D367 PolarHBondContact O-N 3.18Å; K363-F387 HydrophobicContact CG-CZ 4.12Å; K363-D411 IonicContact NZ-OD1 2.67Å; K363-D411 PolarHBondContact NZ-OD1 3.43Å
364Y96.3Very high93.4Very high53 Ų5340.7 Ų40.721%0.20821%0.21CC..Hα-helixtrans-61.6-46.2175.6-178.5-110.3000112.6I294 A296 Y297 E328 I342 S360 L361 W362 L366 D367 M368I294-Y364 WeakPolarHBondContact CD1-OH 3.16Å; I294-Y364 HydrophobicContact CG2-CD1 4.19Å; I294-Y364 HydrophobicContact CG2-CD2 4.03Å; I294-Y364 HydrophobicContact CG2-CE1 3.85Å; I294-Y364 HydrophobicContact CG2-CE2 3.69Å; I294-Y364 HydrophobicContact CG2-CG 4.27Å; A296-Y364 HydrophobicContact CB-CD1 4.37Å; A296-Y364 HydrophobicContact CB-CG 3.93Å; Y297-Y364 AromaticContact CE1-CD1 3.98Å; Y297-Y364 HydrophobicContact CE1-CD1 3.98Å; Y297-Y364 HydrophobicContact CE1-CE1 4.04Å; Y297-Y364 HydrophobicContact CE2-CE1 4.16Å; Y297-Y364 AromaticContact CZ-CE1 3.62Å; Y297-Y364 WeakPolarHBondContact OH-CE1 3.45Å; E328-Y364 PolarHBondContact OE1-OH 3.18Å; E328-Y364 PolarHBondContact OE2-OH 3.11Å; E328-Y364 VanDerWaalsContact OE2-OH 3.13Å; I342-Y364 HydrophobicContact CD1-CD1 4.2Å; I342-Y364 HydrophobicContact CD1-CE1 4.23Å; S360-Y364 PolarHBondContact O-N 2.99Å; L361-Y364 PolarHBondContact O-N 2.99Å; W362-Y364 VanDerWaalsContact C-N 3.33Å; Y364-L366 VanDerWaalsContact C-N 3.27Å; Y364-L366 PolarHBondContact O-N 3.2Å; Y364-D367 PolarHBondContact O-N 3.15Å; Y364-M368 HydrophobicContact CD1-CE 4.4Å; Y364-M368 HydrophobicContact CE1-CE 3.58Å; Y364-M368 WeakPolarHBondContact O-CB 3.43Å; Y364-M368 PolarHBondContact O-N 3.26Å
365A96.6Very high93.5Very high0 Ų038.2 Ų38.20%020%0.198CC..Hα-helixtrans-59.7-38.417500000112.3I342 R343 L361 W362 M368 Q369I342-A365 HydrophobicContact CB-CB 4.08Å; I342-A365 HydrophobicContact CG2-CB 3.78Å; R343-A365 HydrophobicContact CG-CB 4Å; L361-A365 PolarHBondContact O-N 3.4Å; W362-A365 PolarHBondContact O-N 2.95Å; A365-M368 WeakPolarHBondContact O-CB 3.42Å; A365-Q369 VanDerWaalsContact O-CG 3.23Å; A365-Q369 WeakPolarHBondContact O-CG 3.38Å; A365-Q369 PolarHBondContact O-N 2.95Å
366L95.7Very high93.6Very high0 Ų038 Ų380%020%0.197CC..Hα-helixtrans-68.8-42.1178-17662.4000111.6W362 K363 Y364 M368 Q369 Q370 T380 F384 F387 K418W362-L366 VanDerWaalsContact O-CB 3.31Å; W362-L366 WeakPolarHBondContact O-CB 3.47Å; W362-L366 PolarHBondContact O-N 3.3Å; K363-L366 PolarHBondContact O-N 3.17Å; Y364-L366 VanDerWaalsContact C-N 3.27Å; Y364-L366 PolarHBondContact O-N 3.2Å; L366-M368 VanDerWaalsContact C-N 3.33Å; L366-M368 PolarHBondContact O-N 3.38Å; L366-Q369 PolarHBondContact O-N 3.42Å; L366-Q370 HydrophobicContact CD1-CG 4.45Å; L366-Q370 WeakPolarHBondContact O-CG 3.43Å; L366-Q370 PolarHBondContact O-N 2.83Å; L366-T380 HydrophobicContact CD1-CG2 3.78Å; L366-F384 HydrophobicContact CD1-CD1 4.4Å; L366-F384 HydrophobicContact CD1-CD2 4.38Å; L366-F384 HydrophobicContact CD1-CE1 3.97Å; L366-F384 HydrophobicContact CD1-CE2 3.93Å; L366-F384 HydrophobicContact CD1-CZ 3.69Å; L366-F384 HydrophobicContact CD2-CD1 4.08Å; L366-F384 HydrophobicContact CD2-CE1 3.49Å; L366-F384 VanDerWaalsContact CD2-CE1 3.49Å; L366-F384 HydrophobicContact CD2-CZ 3.94Å; L366-F384 HydrophobicContact CG-CE1 4.28Å; L366-F384 HydrophobicContact CG-CZ 4.26Å; L366-F387 HydrophobicContact CB-CE2 4.45Å; L366-F387 HydrophobicContact CD2-CD2 4.49Å; L366-F387 HydrophobicContact CD2-CE2 4.06Å; L366-K418 HydrophobicContact CD2-CB 4.13Å; L366-K418 HydrophobicContact CD2-CD 3.48Å; L366-K418 VanDerWaalsContact CD2-CD 3.48Å; L366-K418 HydrophobicContact CD2-CG 4.47Å; L366-K418 HydrophobicContact CG-CD 4.06Å
367D95.1Very high93.6Very high59 Ų5931.7 Ų31.732%0.31617%0.17SC..Hα-helixtrans-60.5-42.9174-85.3-44.6000112.5K363 Y364 Q370 S371 K418K363-D367 PolarHBondContact O-N 3.18Å; Y364-D367 PolarHBondContact O-N 3.15Å; D367-Q370 PolarHBondContact O-N 2.98Å; D367-S371 WeakPolarHBondContact O-CB 3.43Å; D367-S371 PolarHBondContact O-N 3.1Å; D367-S371 VanDerWaalsContact O-N 3.08Å; D367-S371 PolarHBondContact O-OG 2.83Å; D367-K418 IonicContact OD1-NZ 3.21Å; D367-K418 PolarHBondContact OD1-NZ 3.42Å; D367-K418 IonicContact OD2-NZ 2.73Å; D367-K418 PolarHBondContact OD2-NZ 3.32Å
368M94.5Very high93.5Very high11 Ų1132.7 Ų32.75%0.05419%0.185CC..Hα-helixtrans-58.6-47.7173.7-176.7-174.6-72.300111.3E328 P333 T338 I342 Y364 A365 L366 S371 N372E328-M368 HydrophobicContact CG-CE 4.01Å; E328-M368 WeakPolarHBondContact OE1-CE 3.37Å; E328-M368 WeakPolarHBondContact OE2-CE 3.38Å; P333-M368 HydrophobicContact CB-CE 4.4Å; P333-M368 HydrophobicContact CB-CG 3.34Å; P333-M368 HydrophobicContact CB-SD 3.78Å; T338-M368 HydrophobicContact CG2-CE 4.17Å; T338-M368 HydrophobicContact CG2-SD 3.74Å; I342-M368 HydrophobicContact CD1-CE 3.79Å; I342-M368 HydrophobicContact CD1-SD 4.11Å; Y364-M368 HydrophobicContact CD1-CE 4.4Å; Y364-M368 HydrophobicContact CE1-CE 3.58Å; Y364-M368 WeakPolarHBondContact O-CB 3.43Å; Y364-M368 PolarHBondContact O-N 3.26Å; A365-M368 WeakPolarHBondContact O-CB 3.42Å; L366-M368 VanDerWaalsContact C-N 3.33Å; L366-M368 PolarHBondContact O-N 3.38Å; M368-S371 PolarHBondContact O-N 3.08Å; M368-N372 WeakPolarHBondContact O-CB 3.42Å; M368-N372 PolarHBondContact O-N 3.45Å; M368-N372 PolarHBondContact O-ND2 3.34Å
369Q95Very high93.3Very high0 Ų034.8 Ų34.80%020%0.195CC..Hα-helixtrans-63.8-47.9178.6-74173.2-26.500112.6S339 A365 L366 S371 N372 L373 T380 S383S339-Q369 PolarHBondContact OG-NE2 3.15Å; A365-Q369 VanDerWaalsContact O-CG 3.23Å; A365-Q369 WeakPolarHBondContact O-CG 3.38Å; A365-Q369 PolarHBondContact O-N 2.95Å; L366-Q369 PolarHBondContact O-N 3.42Å; Q369-S371 PolarHBondContact O-N 2.69Å; Q369-N372 PolarHBondContact O-N 2.81Å; Q369-L373 HydrophobicContact CB-CD1 4Å; Q369-L373 HydrophobicContact CG-CD1 3.95Å; Q369-L373 VanDerWaalsContact O-CB 3.28Å; Q369-L373 WeakPolarHBondContact O-CB 3.31Å; Q369-L373 PolarHBondContact O-N 3.19Å; Q369-T380 HydrophobicContact CB-CG2 4.49Å; Q369-S383 PolarHBondContact NE2-OG 3.18Å; Q369-S383 PolarHBondContact OE1-OG 3.31Å
370Q93.4Very high93.3Very high8 Ų834.4 Ų34.44%0.03719%0.193CC..Hα-helixtrans-63.8-27.7179.9-67.7-165.8-68.200112.7L366 D367 T380 K418 E422 R425L366-Q370 HydrophobicContact CD1-CG 4.45Å; L366-Q370 WeakPolarHBondContact O-CG 3.43Å; L366-Q370 PolarHBondContact O-N 2.83Å; D367-Q370 PolarHBondContact O-N 2.98Å; Q370-T380 HydrophobicContact CG-CG2 4.19Å; Q370-K418 PolarHBondContact NE2-O 2.84Å; Q370-E422 WeakPolarHBondContact CG-OE1 3.42Å; Q370-E422 PolarHBondContact NE2-OE1 2.92Å; Q370-R425 PolarHBondContact O-NH1 3.46Å; Q370-R425 PolarHBondContact O-NH2 3.35Å
371S93.6Very high93.3Very high90 Ų9032.6 Ų32.663%0.62918%0.181SC*.Hα-helixtrans-82.9-24.6-179.6-550000113.2D367 M368 Q369D367-S371 WeakPolarHBondContact O-CB 3.43Å; D367-S371 PolarHBondContact O-N 3.1Å; D367-S371 VanDerWaalsContact O-N 3.08Å; D367-S371 PolarHBondContact O-OG 2.83Å; M368-S371 PolarHBondContact O-N 3.08Å; Q369-S371 PolarHBondContact O-N 2.69Å
372N92.5Very high93.1Very high70 Ų7035 Ų3537%0.37420%0.197SC..Hα-helixtrans-122.4-9.5-168-65.2-81.7000114.8P333 M368 Q369P333-N372 HydrophobicContact CB-CB 4.43Å; P333-N372 WeakPolarHBondContact CB-ND2 3.39Å; P333-N372 HydrophobicContact CG-CB 4.49Å; P333-N372 WeakPolarHBondContact CG-OD1 3.4Å; M368-N372 WeakPolarHBondContact O-CB 3.42Å; M368-N372 PolarHBondContact O-N 3.45Å; M368-N372 PolarHBondContact O-ND2 3.34Å; Q369-N372 PolarHBondContact O-N 2.81Å
373L90.9Very high93Very high26 Ų2634 Ų3414%0.13619%0.194CC..SBendtrans-114.9155.4178.9-54.9179.9000111.3Q369 M379 R425Q369-L373 HydrophobicContact CB-CD1 4Å; Q369-L373 HydrophobicContact CG-CD1 3.95Å; Q369-L373 VanDerWaalsContact O-CB 3.28Å; Q369-L373 WeakPolarHBondContact O-CB 3.31Å; Q369-L373 PolarHBondContact O-N 3.19Å; L373-M379 HydrophobicContact CD1-CB 4.06Å; L373-M379 HydrophobicContact CD1-CE 4Å; L373-M379 HydrophobicContact CD1-SD 4.07Å; L373-R425 PolarHBondContact O-NH2 3.22Å
374D89.4Confident93Very high123 Ų12332.2 Ų32.266%0.65819%0.186SC*.  trans-60.1149.2171.9-67.7-41.8000111.5S377D374-S377 WeakPolarHBondContact O-CB 3.33Å; D374-S377 PolarHBondContact O-N 3.3Å
375P90.3Very high93Very high12 Ų1230.5 Ų30.58%0.07818%0.18CC..THydrogen-bonded Turntrans-54.6141.8177.3-24.436.3000111.5S377 E422 R425 A426 Q429P375-S377 PolarHBondContact O-N 3.22Å; P375-S377 VanDerWaalsContact O-N 3.15Å; P375-E422 WeakPolarHBondContact CA-OE2 3.42Å; P375-R425 HydrophobicContact CB-CB 3.86Å; P375-R425 HydrophobicContact CG-CB 3.69Å; P375-A426 HydrophobicContact CB-CB 3.9Å; P375-Q429 HydrophobicContact CG-CG 4.46Å
376L89.8Confident92.9Very high7 Ų731.8 Ų31.84%0.03719%0.19CC..THydrogen-bonded Turntrans61.618.4179.2-54172.8000114.8E422 A426 P434 Q438 F439 A442L376-E422 HydrophobicContact CD2-CB 4.1Å; L376-E422 PolarHBondContact N-OE2 3.06Å; L376-A426 HydrophobicContact CD1-CB 3.34Å; L376-A426 HydrophobicContact CG-CB 3.73Å; L376-P434 HydrophobicContact CD1-CB 3.56Å; L376-P434 HydrophobicContact CD1-CG 4.04Å; L376-Q438 PolarHBondContact O-OE1 2.88Å; L376-F439 HydrophobicContact CD1-CB 4.33Å; L376-F439 HydrophobicContact CD1-CD2 3.42Å; L376-F439 VanDerWaalsContact CD1-CD2 3.42Å; L376-F439 HydrophobicContact CD1-CE2 4.15Å; L376-F439 HydrophobicContact CD1-CG 4.3Å; L376-A442 HydrophobicContact CD2-CB 3.49Å; L376-A442 VanDerWaalsContact CD2-CB 3.49Å
377S90.6Very high92.9Very high20 Ų2031.9 Ų31.914%0.1419%0.19CC..  trans-46.8134.6170171.30000111D374 P375 M379 T380 A381D374-S377 WeakPolarHBondContact O-CB 3.33Å; D374-S377 PolarHBondContact O-N 3.3Å; P375-S377 PolarHBondContact O-N 3.22Å; P375-S377 VanDerWaalsContact O-N 3.15Å; S377-M379 PolarHBondContact O-N 3.13Å; S377-M379 PolarHBondContact OG-N 3.09Å; S377-T380 PolarHBondContact O-N 3.39Å; S377-A381 PolarHBondContact O-N 3.01Å
378P90.1Very high92.9Very high84 Ų8429.1 Ų29.155%0.54518%0.175SC..Hα-helixtrans-53-30.1178.2-28.834.7000113.7S382P378-S382 WeakPolarHBondContact O-CB 3.43Å; P378-S382 PolarHBondContact O-N 3.49Å
379M89.6Confident92.8Very high44 Ų4430.5 Ų30.522%0.21718%0.181CC..Hα-helixtrans-67.6-45.2176.1-69.517554.400112.4P336 S339 L373 S377 S382 S383P336-M379 VanDerWaalsContact CA-CE 3.46Å; P336-M379 HydrophobicContact CB-CE 3.93Å; P336-M379 HydrophobicContact CB-SD 3.91Å; P336-M379 HydrophobicContact CG-CE 4.42Å; P336-M379 HydrophobicContact CG-SD 3.96Å; S339-M379 VanDerWaalsContact OG-CE 3.24Å; S339-M379 WeakPolarHBondContact OG-CE 3.33Å; L373-M379 HydrophobicContact CD1-CB 4.06Å; L373-M379 HydrophobicContact CD1-CE 4Å; L373-M379 HydrophobicContact CD1-SD 4.07Å; S377-M379 PolarHBondContact O-N 3.13Å; S377-M379 PolarHBondContact OG-N 3.09Å; M379-S382 WeakPolarHBondContact O-CB 3.43Å; M379-S382 PolarHBondContact O-N 2.98Å; M379-S383 PolarHBondContact O-N 3.4Å; M379-S383 PolarHBondContact O-OG 3.4Å
380T93.1Very high92.6Very high1 Ų131.4 Ų31.41%0.00619%0.186CC..Hα-helixtrans-65.2-43.4177.9-45.20000110L366 Q369 Q370 S377 S382 S383 F384 E422L366-T380 HydrophobicContact CD1-CG2 3.78Å; Q369-T380 HydrophobicContact CB-CG2 4.49Å; Q370-T380 HydrophobicContact CG-CG2 4.19Å; S377-T380 PolarHBondContact O-N 3.39Å; T380-S382 VanDerWaalsContact C-N 3.32Å; T380-S382 PolarHBondContact O-N 3.25Å; T380-S383 WeakPolarHBondContact O-CB 3.47Å; T380-S383 PolarHBondContact O-N 3.04Å; T380-S383 VanDerWaalsContact O-N 3.13Å; T380-F384 HydrophobicContact CG2-CD2 4.09Å; T380-F384 HydrophobicContact CG2-CE2 3.55Å; T380-F384 HydrophobicContact CG2-CZ 4.39Å; T380-F384 WeakPolarHBondContact O-CD2 3.43Å; T380-F384 PolarHBondContact O-N 3.32Å; T380-E422 HydrophobicContact CG2-CG 4.15Å
381A92.9Very high92.6Very high11 Ų1131 Ų319%0.09118%0.184CC..Hα-helixtrans-60-40.5174.700000112.2S377 S383 F384 L385 I445S377-A381 PolarHBondContact O-N 3.01Å; A381-S383 VanDerWaalsContact C-N 3.34Å; A381-S383 PolarHBondContact O-N 3.5Å; A381-F384 PolarHBondContact O-N 3.03Å; A381-L385 PolarHBondContact O-N 3Å; A381-I445 HydrophobicContact CB-CD1 4.44Å; A381-I445 WeakPolarHBondContact O-CD1 3.46Å
382S92.7Very high92.5Very high49 Ų4926.9 Ų26.934%0.34316%0.155SC..Hα-helixtrans-61.8-41174-173.70000112.1P378 M379 T380 L385 S386P378-S382 WeakPolarHBondContact O-CB 3.43Å; P378-S382 PolarHBondContact O-N 3.49Å; M379-S382 WeakPolarHBondContact O-CB 3.43Å; M379-S382 PolarHBondContact O-N 2.98Å; T380-S382 VanDerWaalsContact C-N 3.32Å; T380-S382 PolarHBondContact O-N 3.25Å; S382-L385 PolarHBondContact O-N 3.37Å; S382-S386 PolarHBondContact O-N 2.81Å; S382-S386 PolarHBondContact O-OG 2.64Å; S382-S386 VanDerWaalsContact O-OG 3.09Å
383S95.2Very high92.3Very high0 Ų029.1 Ų29.10%016%0.162CC..Hα-helixtrans-63.1-44.2177-60.50000111.8R343 Q369 M379 T380 A381 L385 S386 F387R343-S383 WeakPolarHBondContact CD-OG 3.45Å; R343-S383 PolarHBondContact NE-OG 2.66Å; R343-S383 PolarHBondContact NH1-OG 2.92Å; Q369-S383 PolarHBondContact NE2-OG 3.18Å; Q369-S383 PolarHBondContact OE1-OG 3.31Å; M379-S383 PolarHBondContact O-N 3.4Å; M379-S383 PolarHBondContact O-OG 3.4Å; T380-S383 WeakPolarHBondContact O-CB 3.47Å; T380-S383 PolarHBondContact O-N 3.04Å; T380-S383 VanDerWaalsContact O-N 3.13Å; A381-S383 VanDerWaalsContact C-N 3.34Å; A381-S383 PolarHBondContact O-N 3.5Å; S383-L385 PolarHBondContact O-N 2.9Å; S383-S386 PolarHBondContact O-N 3.25Å; S383-F387 WeakPolarHBondContact O-CD2 3.18Å; S383-F387 PolarHBondContact O-N 3.01Å
384F96.4Very high92Very high9 Ų928.3 Ų28.34%0.03916%0.158CC..Hα-helixtrans-62.4-41.7176.2-73.8-62.8000112.7L366 T380 A381 F387 A388 V415 K418 S419 E422 I445L366-F384 HydrophobicContact CD1-CD1 4.4Å; L366-F384 HydrophobicContact CD1-CD2 4.38Å; L366-F384 HydrophobicContact CD1-CE1 3.97Å; L366-F384 HydrophobicContact CD1-CE2 3.93Å; L366-F384 HydrophobicContact CD1-CZ 3.69Å; L366-F384 HydrophobicContact CD2-CD1 4.08Å; L366-F384 HydrophobicContact CD2-CE1 3.49Å; L366-F384 VanDerWaalsContact CD2-CE1 3.49Å; L366-F384 HydrophobicContact CD2-CZ 3.94Å; L366-F384 HydrophobicContact CG-CE1 4.28Å; L366-F384 HydrophobicContact CG-CZ 4.26Å; T380-F384 HydrophobicContact CG2-CD2 4.09Å; T380-F384 HydrophobicContact CG2-CE2 3.55Å; T380-F384 HydrophobicContact CG2-CZ 4.39Å; T380-F384 WeakPolarHBondContact O-CD2 3.43Å; T380-F384 PolarHBondContact O-N 3.32Å; A381-F384 PolarHBondContact O-N 3.03Å; F384-F387 WeakPolarHBondContact O-CB 3.35Å; F384-F387 PolarHBondContact O-N 2.76Å; F384-A388 PolarHBondContact O-N 3.49Å; F384-V415 HydrophobicContact CD1-CG1 3.73Å; F384-V415 HydrophobicContact CE1-CG1 4.15Å; F384-K418 HydrophobicContact CE1-CB 3.83Å; F384-K418 HydrophobicContact CZ-CB 3.95Å; F384-S419 VanDerWaalsContact CZ-CA 3.44Å; F384-E422 HydrophobicContact CE2-CG 3.6Å; F384-E422 HydrophobicContact CZ-CG 4.09Å; F384-I445 HydrophobicContact CB-CG2 3.77Å
385L95.3Very high91.7Very high16 Ų1623.7 Ų23.78%0.08413%0.133CC..Hα-helixtrans-62.3-45.4175.9177.459.1000111.2A381 S382 S383 F387 A388 E389 I445 V498A381-L385 PolarHBondContact O-N 3Å; S382-L385 PolarHBondContact O-N 3.37Å; S383-L385 PolarHBondContact O-N 2.9Å; L385-F387 VanDerWaalsContact C-N 3.28Å; L385-F387 PolarHBondContact O-N 2.94Å; L385-A388 WeakPolarHBondContact O-CB 3.5Å; L385-A388 PolarHBondContact O-N 3.48Å; L385-E389 HydrophobicContact CD1-CG 4.15Å; L385-E389 HydrophobicContact CG-CG 4.39Å; L385-E389 WeakPolarHBondContact O-CG 3.4Å; L385-E389 PolarHBondContact O-N 2.91Å; L385-I445 HydrophobicContact CB-CD1 4Å; L385-I445 HydrophobicContact CB-CG1 4.35Å; L385-V498 HydrophobicContact CD1-CG1 3.8Å; L385-V498 HydrophobicContact CD1-CG2 4.21Å
386S94.4Very high91.2Very high28 Ų2827.7 Ų27.720%0.19615%0.151CC..Hα-helixtrans-58.4-40.6176.4-62.10000112W362 S382 S383 E389 L390W362-S386 VanDerWaalsContact CZ3-C 3.44Å; W362-S386 VanDerWaalsContact CZ3-O 3.31Å; W362-S386 WeakPolarHBondContact CZ3-O 3.24Å; S382-S386 PolarHBondContact O-N 2.81Å; S382-S386 PolarHBondContact O-OG 2.64Å; S382-S386 VanDerWaalsContact O-OG 3.09Å; S383-S386 PolarHBondContact O-N 3.25Å; S386-E389 PolarHBondContact O-N 3.29Å; S386-L390 WeakPolarHBondContact O-CB 3.46Å; S386-L390 PolarHBondContact O-N 3.47Å
387F95.4Very high90.1Very high1 Ų128.9 Ų28.90%0.00416%0.157CC..Hα-helixtrans-59.2-47.9171.8-89.7-68.9000112.3I359 W362 K363 L366 S383 F384 L385 E389 L390 F391 V415I359-F387 HydrophobicContact CG2-CE1 4.47Å; W362-F387 HydrophobicContact CB-CE1 3.8Å; W362-F387 HydrophobicContact CB-CE2 3.65Å; W362-F387 HydrophobicContact CB-CZ 3.2Å; W362-F387 AromaticContact CE3-CD1 3.8Å; W362-F387 HydrophobicContact CE3-CD1 3.8Å; W362-F387 HydrophobicContact CE3-CD2 4.2Å; W362-F387 AromaticContact CE3-CE1 3.94Å; W362-F387 HydrophobicContact CE3-CE1 3.94Å; W362-F387 HydrophobicContact CE3-CE2 4.32Å; W362-F387 AromaticContact CE3-CG 3.96Å; W362-F387 HydrophobicContact CE3-CG 3.96Å; W362-F387 HydrophobicContact CE3-CZ 4.22Å; W362-F387 HydrophobicContact CG-CZ 4.32Å; W362-F387 HydrophobicContact CZ3-CD1 4.45Å; W362-F387 HydrophobicContact CZ3-CG 4.5Å; K363-F387 HydrophobicContact CG-CZ 4.12Å; L366-F387 HydrophobicContact CB-CE2 4.45Å; L366-F387 HydrophobicContact CD2-CD2 4.49Å; L366-F387 HydrophobicContact CD2-CE2 4.06Å; S383-F387 WeakPolarHBondContact O-CD2 3.18Å; S383-F387 PolarHBondContact O-N 3.01Å; F384-F387 WeakPolarHBondContact O-CB 3.35Å; F384-F387 PolarHBondContact O-N 2.76Å; L385-F387 VanDerWaalsContact C-N 3.28Å; L385-F387 PolarHBondContact O-N 2.94Å; F387-E389 VanDerWaalsContact C-N 3.32Å; F387-E389 PolarHBondContact O-N 3.02Å; F387-L390 PolarHBondContact O-N 3.31Å; F387-F391 HydrophobicContact CB-CD2 4.41Å; F387-F391 HydrophobicContact CB-CE2 4.07Å; F387-F391 HydrophobicContact CD1-CE1 4.05Å; F387-F391 AromaticContact CD1-CE2 3.93Å; F387-F391 HydrophobicContact CD1-CE2 3.93Å; F387-F391 AromaticContact CD1-CZ 3.54Å; F387-F391 HydrophobicContact CD1-CZ 3.54Å; F387-F391 HydrophobicContact CE1-CZ 4.14Å; F387-F391 HydrophobicContact CG-CE2 4.4Å; F387-F391 HydrophobicContact CG-CZ 4.42Å; F387-F391 WeakPolarHBondContact O-CB 3.45Å; F387-F391 WeakPolarHBondContact O-CD2 3.23Å; F387-F391 WeakPolarHBondContact O-CG 3.5Å; F387-F391 PolarHBondContact O-N 2.99Å; F387-V415 HydrophobicContact CB-CG1 3.88Å; F387-V415 HydrophobicContact CB-CG2 4.43Å; F387-V415 HydrophobicContact CD1-CG2 3.79Å; F387-V415 HydrophobicContact CD2-CG1 4.17Å; F387-V415 HydrophobicContact CD2-CG2 4.17Å; F387-V415 HydrophobicContact CE1-CG2 3.94Å; F387-V415 HydrophobicContact CE2-CG2 4.3Å; F387-V415 HydrophobicContact CG-CG1 4.04Å; F387-V415 HydrophobicContact CG-CG2 3.9Å; F387-V415 HydrophobicContact CZ-CG2 4.16Å
388A95.3Very high88.5Confident1 Ų134.5 Ų34.51%0.00818%0.175CC..Hα-helixtrans-62.1-40.2179.800000111.9F384 L385 S392 L449 L452 V503F384-A388 PolarHBondContact O-N 3.49Å; L385-A388 WeakPolarHBondContact O-CB 3.5Å; L385-A388 PolarHBondContact O-N 3.48Å; A388-S392 WeakPolarHBondContact O-CB 3.31Å; A388-S392 PolarHBondContact O-N 3.29Å; A388-L449 HydrophobicContact CB-CD2 3.87Å; A388-L449 HydrophobicContact CB-CG 4.4Å; A388-L452 WeakPolarHBondContact O-CD1 3.43Å; A388-V503 HydrophobicContact CB-CG1 4.04Å; A388-V503 HydrophobicContact CB-CG2 4.32Å
389E93.2Very high86.9Confident40 Ų4034.9 Ų34.919%0.18719%0.186CC..Hα-helixtrans-64.3-47.5174.6-69.3175.8154.300111.8L385 S386 F387 F391 S392 F393 V503L385-E389 HydrophobicContact CD1-CG 4.15Å; L385-E389 HydrophobicContact CG-CG 4.39Å; L385-E389 WeakPolarHBondContact O-CG 3.4Å; L385-E389 PolarHBondContact O-N 2.91Å; S386-E389 PolarHBondContact O-N 3.29Å; F387-E389 VanDerWaalsContact C-N 3.32Å; F387-E389 PolarHBondContact O-N 3.02Å; E389-F391 PolarHBondContact O-N 3.29Å; E389-S392 PolarHBondContact O-N 3.01Å; E389-F393 WeakPolarHBondContact O-CB 3.36Å; E389-F393 PolarHBondContact O-N 3.02Å; E389-V503 HydrophobicContact CG-CG2 3.84Å
390L91.1Very high85.5Confident19 Ų1940 Ų4010%0.09921%0.207CC..Hα-helixtrans-59.9-45.8176.3178.269.2000111.4A350 F355 I359 W362 S386 F387 F393 V394A350-L390 HydrophobicContact CB-CD1 4.27Å; F355-L390 HydrophobicContact CD1-CD1 4.02Å; F355-L390 HydrophobicContact CE1-CD1 4.06Å; I359-L390 HydrophobicContact CG1-CD2 4.35Å; W362-L390 HydrophobicContact CE3-CD2 4.15Å; W362-L390 HydrophobicContact CH2-CB 4.16Å; W362-L390 HydrophobicContact CH2-CD2 4.18Å; W362-L390 HydrophobicContact CZ3-CB 3.82Å; W362-L390 HydrophobicContact CZ3-CD2 3.73Å; W362-L390 HydrophobicContact CZ3-CG 4.37Å; S386-L390 WeakPolarHBondContact O-CB 3.46Å; S386-L390 PolarHBondContact O-N 3.47Å; F387-L390 PolarHBondContact O-N 3.31Å; L390-F393 PolarHBondContact O-N 3.23Å; L390-V394 HydrophobicContact CD1-CG2 4.41Å; L390-V394 WeakPolarHBondContact O-CG2 3.43Å; L390-V394 PolarHBondContact O-N 3.46Å
391F92.1Very high83.7Confident0 Ų043.3 Ų43.30%024%0.241CC..Hα-helixtrans-66.1-40.8-179.8-64.7-26.3000112.2I359 F387 E389 L395 I407 D411 L412 V415 L449 L452I359-F391 HydrophobicContact CD1-CE1 4.15Å; I359-F391 HydrophobicContact CG1-CE1 4.3Å; F387-F391 HydrophobicContact CB-CD2 4.41Å; F387-F391 HydrophobicContact CB-CE2 4.07Å; F387-F391 HydrophobicContact CD1-CE1 4.05Å; F387-F391 AromaticContact CD1-CE2 3.93Å; F387-F391 HydrophobicContact CD1-CE2 3.93Å; F387-F391 AromaticContact CD1-CZ 3.54Å; F387-F391 HydrophobicContact CD1-CZ 3.54Å; F387-F391 HydrophobicContact CE1-CZ 4.14Å; F387-F391 HydrophobicContact CG-CE2 4.4Å; F387-F391 HydrophobicContact CG-CZ 4.42Å; F387-F391 WeakPolarHBondContact O-CB 3.45Å; F387-F391 WeakPolarHBondContact O-CD2 3.23Å; F387-F391 WeakPolarHBondContact O-CG 3.5Å; F387-F391 PolarHBondContact O-N 2.99Å; E389-F391 PolarHBondContact O-N 3.29Å; F391-L395 WeakPolarHBondContact O-CB 3.43Å; F391-L395 VanDerWaalsContact O-CG 3.24Å; F391-L395 WeakPolarHBondContact O-CG 3.36Å; F391-L395 PolarHBondContact O-N 3.08Å; F391-I407 HydrophobicContact CB-CD1 4.11Å; F391-I407 HydrophobicContact CD1-CD1 3.52Å; F391-I407 HydrophobicContact CD1-CG1 4.14Å; F391-I407 HydrophobicContact CD1-CG2 4.18Å; F391-I407 HydrophobicContact CE1-CD1 4.37Å; F391-I407 HydrophobicContact CE1-CG2 4.33Å; F391-I407 HydrophobicContact CG-CD1 4.2Å; F391-D411 HydrophobicContact CE1-CB 4.49Å; F391-D411 HydrophobicContact CZ-CB 4.34Å; F391-L412 HydrophobicContact CB-CD2 4.03Å; F391-L412 HydrophobicContact CB-CG 4.48Å; F391-L412 HydrophobicContact CD2-CD2 3.23Å; F391-L412 HydrophobicContact CD2-CG 3.7Å; F391-L412 HydrophobicContact CE2-CD2 3.79Å; F391-L412 HydrophobicContact CE2-CG 3.95Å; F391-L412 HydrophobicContact CG-CD2 3.85Å; F391-L412 HydrophobicContact CG-CG 4.08Å; F391-V415 HydrophobicContact CE2-CB 4.07Å; F391-V415 HydrophobicContact CE2-CG1 4.43Å; F391-V415 HydrophobicContact CE2-CG2 3.79Å; F391-V415 HydrophobicContact CZ-CG2 3.88Å; F391-L449 HydrophobicContact CD2-CD2 4.23Å; F391-L452 HydrophobicContact CB-CD1 3.76Å
392S91.4Very high82Confident3 Ų347.6 Ų47.62%0.02127%0.267CS..Hα-helixtrans-58.9-48172.7-175.80000111.5A388 E389 V394 L395 Q396 V503A388-S392 WeakPolarHBondContact O-CB 3.31Å; A388-S392 PolarHBondContact O-N 3.29Å; E389-S392 PolarHBondContact O-N 3.01Å; S392-V394 PolarHBondContact O-N 2.86Å; S392-L395 PolarHBondContact O-N 2.53Å; S392-Q396 WeakPolarHBondContact O-CB 3.41Å; S392-Q396 VanDerWaalsContact O-CG 3.27Å; S392-Q396 WeakPolarHBondContact O-CG 3.37Å; S392-Q396 PolarHBondContact O-N 3.48Å; S392-Q396 PolarHBondContact OG-NE2 2.89Å; S392-V503 PolarHBondContact OG-O 3.32Å
393F88.1Confident80.3Confident118 Ų11848.3 Ų48.352%0.51827%0.266SS..Hα-helixtrans-56.9-52.5179.9175.6-99.6000112E389 L390 L395 Q396 D397E389-F393 WeakPolarHBondContact O-CB 3.36Å; E389-F393 PolarHBondContact O-N 3.02Å; L390-F393 PolarHBondContact O-N 3.23Å; F393-L395 PolarHBondContact O-N 3.21Å; F393-Q396 PolarHBondContact O-N 2.85Å; F393-D397 PolarHBondContact O-N 2.67Å; F393-D397 VanDerWaalsContact O-N 3.08Å
394V84.8Confident78.3Confident8 Ų853.9 Ų53.95%0.04831%0.305CS..Hα-helixtrans-67.3-36.5-178.2174.20000111.9F355 L390 S392 D397 R398 I407F355-V394 HydrophobicContact CD1-CG2 3.84Å; F355-V394 HydrophobicContact CE1-CG2 3.62Å; F355-V394 HydrophobicContact CG-CG2 4.38Å; F355-V394 HydrophobicContact CZ-CG2 3.99Å; L390-V394 HydrophobicContact CD1-CG2 4.41Å; L390-V394 WeakPolarHBondContact O-CG2 3.43Å; L390-V394 PolarHBondContact O-N 3.46Å; S392-V394 PolarHBondContact O-N 2.86Å; V394-D397 PolarHBondContact O-N 2.92Å; V394-R398 PolarHBondContact O-N 3.47Å; V394-I407 HydrophobicContact CB-CD1 3.39Å; V394-I407 HydrophobicContact CB-CG1 4.2Å; V394-I407 HydrophobicContact CG1-CD1 3.5Å; V394-I407 HydrophobicContact CG1-CG1 3.79Å; V394-I407 HydrophobicContact CG2-CD1 4.01Å
395L84Confident76.5Confident26 Ų2655.7 Ų55.714%0.13632%0.317CS..Hα-helixtrans-68.7-35.6176.9-73.5174.1000112.8F391 S392 F393 L412 L452 L456F391-L395 WeakPolarHBondContact O-CB 3.43Å; F391-L395 VanDerWaalsContact O-CG 3.24Å; F391-L395 WeakPolarHBondContact O-CG 3.36Å; F391-L395 PolarHBondContact O-N 3.08Å; S392-L395 PolarHBondContact O-N 2.53Å; F393-L395 PolarHBondContact O-N 3.21Å; L395-L412 HydrophobicContact CD1-CD1 4.3Å; L395-L452 HydrophobicContact CD1-CB 4.2Å; L395-L452 HydrophobicContact CD1-CD2 4.17Å; L395-L456 HydrophobicContact CD2-CD2 3.72Å
396Q78.9Confident75.4Confident97 Ų9764.2 Ų64.245%0.45335%0.348SS..Hα-helixtrans-69-37.7174.7-71.4177.925.100112S392 F393 A399S392-Q396 WeakPolarHBondContact O-CB 3.41Å; S392-Q396 VanDerWaalsContact O-CG 3.27Å; S392-Q396 WeakPolarHBondContact O-CG 3.37Å; S392-Q396 PolarHBondContact O-N 3.48Å; S392-Q396 PolarHBondContact OG-NE2 2.89Å; F393-Q396 PolarHBondContact O-N 2.85Å; Q396-A399 WeakPolarHBondContact O-CB 3.47Å; Q396-A399 PolarHBondContact O-N 3.4Å
397D67.1Low74.7Confident32 Ų3263.7 Ų63.717%0.17134%0.343CS..Hα-helixtrans-77.2-26.8-179-152.949.2000112.8F393 V394 A399 K400 G401 L403F393-D397 PolarHBondContact O-N 2.67Å; F393-D397 VanDerWaalsContact O-N 3.08Å; V394-D397 PolarHBondContact O-N 2.92Å; D397-A399 PolarHBondContact O-N 3.42Å; D397-K400 WeakPolarHBondContact O-CA 3.49Å; D397-K400 WeakPolarHBondContact O-CB 3.34Å; D397-K400 PolarHBondContact O-N 3.44Å; D397-G401 PolarHBondContact O-N 3.23Å; D397-L403 HydrophobicContact CB-CD1 4.06Å; D397-L403 WeakPolarHBondContact OD2-CD1 3.29Å; D397-L403 WeakPolarHBondContact OD2-CG 3.44Å
398R57.6Low74.3Confident137 Ų13766.8 Ų66.852%0.51736%0.362SS..Hα-helixtrans-55.6-36.7167.3-175.1-178.2175.1-169-4112V394 K400 G401V394-R398 PolarHBondContact O-N 3.47Å; R398-K400 PolarHBondContact O-N 2.77Å; R398-G401 PolarHBondContact O-N 2.71Å
399A56.9Low74.1Confident92 Ų9267.5 Ų67.576%0.7637%0.365SS*.THydrogen-bonded Turntrans-66-17.1176.100000113Q396 D397Q396-A399 WeakPolarHBondContact O-CB 3.47Å; Q396-A399 PolarHBondContact O-N 3.4Å; D397-A399 PolarHBondContact O-N 3.42Å
400K59.6Low74.1Confident152 Ų15270.3 Ų70.366%0.66138%0.378SS*.THydrogen-bonded Turntrans-99.1-4.5177.7-57.1179.9-173.11680113.6D397 R398 T402D397-K400 WeakPolarHBondContact O-CA 3.49Å; D397-K400 WeakPolarHBondContact O-CB 3.34Å; D397-K400 PolarHBondContact O-N 3.44Å; R398-K400 PolarHBondContact O-N 2.77Å; K400-T402 PolarHBondContact O-OG1 2.96Å
401G56Low74.2Confident71 Ų7170.5 Ų70.573%0.73238%0.379SS*.THydrogen-bonded Turntrans74.419.3172.900000116D397 R398D397-G401 PolarHBondContact O-N 3.23Å; R398-G401 PolarHBondContact O-N 2.71Å
402T55.6Low74.3Confident101 Ų10170.5 Ų70.562%0.6238%0.379SS*.  trans-99.2-16.1-164.5-33.10000115K400K400-T402 PolarHBondContact O-OG1 2.96Å
403L58.1Low74.5Confident64 Ų6470.6 Ų70.634%0.33538%0.379SS..  trans-117.4138.2-175.5-74.3166.9000113.1F355 D397F355-L403 HydrophobicContact CE2-CD1 4.02Å; F355-L403 HydrophobicContact CE2-CD2 3.94Å; F355-L403 HydrophobicContact CZ-CD1 4.14Å; D397-L403 HydrophobicContact CB-CD1 4.06Å; D397-L403 WeakPolarHBondContact OD2-CD1 3.29Å; D397-L403 WeakPolarHBondContact OD2-CG 3.44Å
404S52Low74.9Confident117 Ų11766.7 Ų66.782%0.81837%0.365SS*.SBendtrans-82.9-23177.659.20000113.8
405T60.4Low75.5Confident47 Ų4766.3 Ų66.329%0.28836%0.363SS..  trans-86.8132-176.7-20.60000111.3F355F355-T405 HydrophobicContact CB-CG2 4.37Å; F355-T405 HydrophobicContact CD2-CG2 4.43Å
406R70.4Confident76.1Confident195 Ų19565.1 Ų65.174%0.73636%0.357SS*.  trans-109.8125.8-177.9-63.3-177.7-179.2-175.20.1110.4T408R406-T408 PolarHBondContact O-N 3.35Å
407I80Confident77Confident16 Ų1661.5 Ų61.58%0.08235%0.345CS..  trans-65.6131.5161.7-68.9165.1000108F391 V394 D411 L412F391-I407 HydrophobicContact CB-CD1 4.11Å; F391-I407 HydrophobicContact CD1-CD1 3.52Å; F391-I407 HydrophobicContact CD1-CG1 4.14Å; F391-I407 HydrophobicContact CD1-CG2 4.18Å; F391-I407 HydrophobicContact CE1-CD1 4.37Å; F391-I407 HydrophobicContact CE1-CG2 4.33Å; F391-I407 HydrophobicContact CG-CD1 4.2Å; V394-I407 HydrophobicContact CB-CD1 3.39Å; V394-I407 HydrophobicContact CB-CG1 4.2Å; V394-I407 HydrophobicContact CG1-CD1 3.5Å; V394-I407 HydrophobicContact CG1-CG1 3.79Å; V394-I407 HydrophobicContact CG2-CD1 4.01Å; I407-D411 HydrophobicContact CG2-CB 4.21Å; I407-L412 HydrophobicContact CG2-CD1 3.88Å; I407-L412 HydrophobicContact CG2-CG 4.18Å
408T87.6Confident78.5Confident67 Ų6761.4 Ų61.441%0.41134%0.343SS..  trans-91.4157.1177.570.80000111.2R406 Q410 D411 L412R406-T408 PolarHBondContact O-N 3.35Å; T408-Q410 PolarHBondContact O-N 3Å; T408-Q410 PolarHBondContact OG1-N 2.89Å; T408-D411 PolarHBondContact N-OD2 3.32Å; T408-D411 VanDerWaalsContact N-OD2 3.13Å; T408-D411 PolarHBondContact O-N 2.82Å; T408-D411 VanDerWaalsContact O-N 3.15Å; T408-D411 VanDerWaalsContact OG1-CG 3.22Å; T408-D411 PolarHBondContact OG1-N 3.18Å; T408-D411 PolarHBondContact OG1-OD2 3.39Å; T408-L412 PolarHBondContact O-N 3.21Å
409F91.3Very high80.3Confident15 Ų1555.1 Ų55.17%0.06632%0.32CS..Hα-helixtrans-50.5-41.8167.1171.8-90.6000111.1D411 L412 M413 L453 L456 Q462F409-D411 VanDerWaalsContact C-N 3.3Å; F409-D411 PolarHBondContact O-N 2.81Å; F409-L412 PolarHBondContact O-N 3.46Å; F409-M413 HydrophobicContact CD1-CB 4.18Å; F409-M413 HydrophobicContact CE1-CB 3.81Å; F409-M413 HydrophobicContact CE1-CG 3.79Å; F409-M413 HydrophobicContact CE1-SD 4.28Å; F409-M413 HydrophobicContact CE2-SD 4.43Å; F409-M413 HydrophobicContact CZ-CB 4.08Å; F409-M413 HydrophobicContact CZ-CG 3.9Å; F409-M413 HydrophobicContact CZ-SD 3.75Å; F409-M413 WeakPolarHBondContact O-CB 3.26Å; F409-M413 PolarHBondContact O-N 3.37Å; F409-L453 HydrophobicContact CD2-CD2 3.81Å; F409-L453 HydrophobicContact CE2-CD2 3.85Å; F409-L456 HydrophobicContact CB-CD1 4.42Å; F409-Q462 HydrophobicContact CD1-CB 4.06Å; F409-Q462 HydrophobicContact CD1-CG 3.59Å; F409-Q462 HydrophobicContact CD2-CB 4.19Å; F409-Q462 HydrophobicContact CD2-CG 4.43Å; F409-Q462 HydrophobicContact CE1-CB 3.71Å; F409-Q462 HydrophobicContact CE1-CG 3.61Å; F409-Q462 HydrophobicContact CE2-CB 3.86Å; F409-Q462 HydrophobicContact CE2-CG 4.44Å; F409-Q462 HydrophobicContact CG-CB 4.29Å; F409-Q462 HydrophobicContact CG-CG 4.03Å; F409-Q462 HydrophobicContact CZ-CB 3.61Å; F409-Q462 HydrophobicContact CZ-CG 4.06Å; F409-Q462 VanDerWaalsContact CZ-O 3.29Å; F409-Q462 WeakPolarHBondContact CZ-O 3.39Å
410Q93.4Very high82.2Confident99 Ų9950.8 Ų50.846%0.46328%0.284SS..Hα-helixtrans-62.6-34.3-177.9-171.958.440.800112.8T408 T414T408-Q410 PolarHBondContact O-N 3Å; T408-Q410 PolarHBondContact OG1-N 2.89Å; Q410-T414 PolarHBondContact NE2-OG1 2.84Å; Q410-T414 VanDerWaalsContact O-CB 3.26Å; Q410-T414 WeakPolarHBondContact O-CB 3.01Å; Q410-T414 PolarHBondContact O-N 3Å; Q410-T414 PolarHBondContact O-OG1 3.3Å
411D92.6Very high84Confident24 Ų2449.6 Ų49.613%0.12828%0.275CS..Hα-helixtrans-65.7-52.2177.8-65.1-50.6000111.8K363 F391 I407 T408 F409 T414 V415K363-D411 IonicContact NZ-OD1 2.67Å; K363-D411 PolarHBondContact NZ-OD1 3.43Å; F391-D411 HydrophobicContact CE1-CB 4.49Å; F391-D411 HydrophobicContact CZ-CB 4.34Å; I407-D411 HydrophobicContact CG2-CB 4.21Å; T408-D411 PolarHBondContact N-OD2 3.32Å; T408-D411 VanDerWaalsContact N-OD2 3.13Å; T408-D411 PolarHBondContact O-N 2.82Å; T408-D411 VanDerWaalsContact O-N 3.15Å; T408-D411 VanDerWaalsContact OG1-CG 3.22Å; T408-D411 PolarHBondContact OG1-N 3.18Å; T408-D411 PolarHBondContact OG1-OD2 3.39Å; F409-D411 VanDerWaalsContact C-N 3.3Å; F409-D411 PolarHBondContact O-N 2.81Å; D411-T414 PolarHBondContact O-N 3.48Å; D411-V415 WeakPolarHBondContact O-CG2 3.45Å; D411-V415 PolarHBondContact O-N 2.97Å
412L94.1Very high85.8Confident0 Ų046.4 Ų46.40%024%0.242CC..Hα-helixtrans-61.6-45.6176.3-90.3155000111.5F391 L395 I407 T408 F409 T414 V415 L416 L449 L452 L453 L456F391-L412 HydrophobicContact CB-CD2 4.03Å; F391-L412 HydrophobicContact CB-CG 4.48Å; F391-L412 HydrophobicContact CD2-CD2 3.23Å; F391-L412 HydrophobicContact CD2-CG 3.7Å; F391-L412 HydrophobicContact CE2-CD2 3.79Å; F391-L412 HydrophobicContact CE2-CG 3.95Å; F391-L412 HydrophobicContact CG-CD2 3.85Å; F391-L412 HydrophobicContact CG-CG 4.08Å; L395-L412 HydrophobicContact CD1-CD1 4.3Å; I407-L412 HydrophobicContact CG2-CD1 3.88Å; I407-L412 HydrophobicContact CG2-CG 4.18Å; T408-L412 PolarHBondContact O-N 3.21Å; F409-L412 PolarHBondContact O-N 3.46Å; L412-T414 VanDerWaalsContact C-N 3.32Å; L412-T414 PolarHBondContact O-N 2.99Å; L412-V415 PolarHBondContact O-N 2.99Å; L412-L416 WeakPolarHBondContact O-CB 3.32Å; L412-L416 PolarHBondContact O-N 3.41Å; L412-L449 HydrophobicContact CD2-CD2 4.31Å; L412-L452 HydrophobicContact CD2-CB 3.95Å; L412-L452 HydrophobicContact CD2-CD1 4.27Å; L412-L453 HydrophobicContact CB-CD2 3.65Å; L412-L453 HydrophobicContact CB-CG 4.02Å; L412-L453 HydrophobicContact CD1-CD2 4.5Å; L412-L456 HydrophobicContact CD1-CD1 3.55Å; L412-L456 HydrophobicContact CD1-CG 4.35Å
413M96.4Very high87.6Confident5 Ų541.7 Ų41.73%0.02521%0.212CC..Hα-helixtrans-63.2-37.6-179.3-167.566.1-137.600112.1F409 L416 G417 L453 Q465 K466 T469F409-M413 HydrophobicContact CD1-CB 4.18Å; F409-M413 HydrophobicContact CE1-CB 3.81Å; F409-M413 HydrophobicContact CE1-CG 3.79Å; F409-M413 HydrophobicContact CE1-SD 4.28Å; F409-M413 HydrophobicContact CE2-SD 4.43Å; F409-M413 HydrophobicContact CZ-CB 4.08Å; F409-M413 HydrophobicContact CZ-CG 3.9Å; F409-M413 HydrophobicContact CZ-SD 3.75Å; F409-M413 WeakPolarHBondContact O-CB 3.26Å; F409-M413 PolarHBondContact O-N 3.37Å; M413-L416 HydrophobicContact CE-CD2 4.05Å; M413-L416 PolarHBondContact O-N 3.15Å; M413-L416 HydrophobicContact SD-CD2 4.29Å; M413-G417 PolarHBondContact O-N 2.76Å; M413-L453 HydrophobicContact SD-CD1 4.42Å; M413-Q465 HydrophobicContact CE-CG 4.14Å; M413-Q465 HydrophobicContact CG-CG 4.15Å; M413-Q465 HydrophobicContact SD-CG 4.33Å; M413-K466 HydrophobicContact SD-CB 4.44Å; M413-T469 HydrophobicContact CE-CG2 3.71Å; M413-T469 WeakPolarHBondContact CE-OG1 3.41Å
414T95.8Very high89.3Confident36 Ų3641.1 Ų41.122%0.22121%0.208CC..Hα-helixtrans-63.3-45175.4-610000111Q410 D411 L412 G417 K418Q410-T414 PolarHBondContact NE2-OG1 2.84Å; Q410-T414 VanDerWaalsContact O-CB 3.26Å; Q410-T414 WeakPolarHBondContact O-CB 3.01Å; Q410-T414 PolarHBondContact O-N 3Å; Q410-T414 PolarHBondContact O-OG1 3.3Å; D411-T414 PolarHBondContact O-N 3.48Å; L412-T414 VanDerWaalsContact C-N 3.32Å; L412-T414 PolarHBondContact O-N 2.99Å; T414-G417 PolarHBondContact O-N 3.16Å; T414-K418 HydrophobicContact CG2-CD 4.45Å; T414-K418 WeakPolarHBondContact O-CG 3.36Å; T414-K418 PolarHBondContact O-N 3.12Å
415V97.2Very high91.2Very high0 Ų038.4 Ų38.40%018%0.18CC..Hα-helixtrans-67.6-43.2178.4179.50000110.9F384 F387 F391 D411 L412 G417 K418 S419 L449F384-V415 HydrophobicContact CD1-CG1 3.73Å; F384-V415 HydrophobicContact CE1-CG1 4.15Å; F387-V415 HydrophobicContact CB-CG1 3.88Å; F387-V415 HydrophobicContact CB-CG2 4.43Å; F387-V415 HydrophobicContact CD1-CG2 3.79Å; F387-V415 HydrophobicContact CD2-CG1 4.17Å; F387-V415 HydrophobicContact CD2-CG2 4.17Å; F387-V415 HydrophobicContact CE1-CG2 3.94Å; F387-V415 HydrophobicContact CE2-CG2 4.3Å; F387-V415 HydrophobicContact CG-CG1 4.04Å; F387-V415 HydrophobicContact CG-CG2 3.9Å; F387-V415 HydrophobicContact CZ-CG2 4.16Å; F391-V415 HydrophobicContact CE2-CB 4.07Å; F391-V415 HydrophobicContact CE2-CG1 4.43Å; F391-V415 HydrophobicContact CE2-CG2 3.79Å; F391-V415 HydrophobicContact CZ-CG2 3.88Å; D411-V415 WeakPolarHBondContact O-CG2 3.45Å; D411-V415 PolarHBondContact O-N 2.97Å; L412-V415 PolarHBondContact O-N 2.99Å; V415-G417 PolarHBondContact O-N 2.98Å; V415-K418 PolarHBondContact O-N 3.34Å; V415-S419 PolarHBondContact O-N 3.1Å; V415-S419 PolarHBondContact O-OG 3.24Å; V415-L449 HydrophobicContact CG1-CD1 3.94Å; V415-L449 HydrophobicContact CG1-CD2 4.2Å
416L97.6Very high92.7Very high1 Ų136.2 Ų36.21%0.00517%0.167CC..Hα-helixtrans-57.1-50173.8176.665.3000110.8L412 M413 K418 S419 V420 I446 L449 I450 L453 T469L412-L416 WeakPolarHBondContact O-CB 3.32Å; L412-L416 PolarHBondContact O-N 3.41Å; M413-L416 HydrophobicContact CE-CD2 4.05Å; M413-L416 PolarHBondContact O-N 3.15Å; M413-L416 HydrophobicContact SD-CD2 4.29Å; L416-K418 VanDerWaalsContact C-N 3.33Å; L416-K418 PolarHBondContact O-N 3.15Å; L416-S419 WeakPolarHBondContact CA-OG 3.37Å; L416-S419 PolarHBondContact O-N 3.47Å; L416-S419 VanDerWaalsContact O-N 3.08Å; L416-S419 PolarHBondContact O-OG 3.17Å; L416-V420 HydrophobicContact CD1-CG2 4.3Å; L416-V420 PolarHBondContact O-N 3.24Å; L416-I446 HydrophobicContact CD1-CG2 3.86Å; L416-L449 HydrophobicContact CD1-CB 4.17Å; L416-I450 HydrophobicContact CD1-CG1 3.95Å; L416-I450 HydrophobicContact CD2-CG1 4.24Å; L416-L453 HydrophobicContact CB-CD1 4.2Å; L416-L453 HydrophobicContact CD2-CD1 3.44Å; L416-L453 VanDerWaalsContact CD2-CD1 3.44Å; L416-L453 HydrophobicContact CG-CD1 4.38Å; L416-T469 HydrophobicContact CD2-CG2 4.22Å; L416-T469 HydrophobicContact CG-CG2 4.13Å
417G97.7Very high93.6Very high20 Ų2030.1 Ų30.121%0.20615%0.151CC..Hα-helixtrans-58.6-42178.600000113M413 T414 V415 R421M413-G417 PolarHBondContact O-N 2.76Å; T414-G417 PolarHBondContact O-N 3.16Å; V415-G417 PolarHBondContact O-N 2.98Å; G417-R421 WeakPolarHBondContact O-CB 3.49Å; G417-R421 PolarHBondContact O-N 3.05Å
418K97.1Very high94Very high31 Ų3133 Ų3314%0.13518%0.177CC..Hα-helixtrans-65.4-37.4174.5-72.4178.5-170.4-70.70112.2L366 D367 Q370 F384 T414 V415 L416 R421 E422L366-K418 HydrophobicContact CD2-CB 4.13Å; L366-K418 HydrophobicContact CD2-CD 3.48Å; L366-K418 VanDerWaalsContact CD2-CD 3.48Å; L366-K418 HydrophobicContact CD2-CG 4.47Å; L366-K418 HydrophobicContact CG-CD 4.06Å; D367-K418 IonicContact OD1-NZ 3.21Å; D367-K418 PolarHBondContact OD1-NZ 3.42Å; D367-K418 IonicContact OD2-NZ 2.73Å; D367-K418 PolarHBondContact OD2-NZ 3.32Å; Q370-K418 PolarHBondContact NE2-O 2.84Å; F384-K418 HydrophobicContact CE1-CB 3.83Å; F384-K418 HydrophobicContact CZ-CB 3.95Å; T414-K418 HydrophobicContact CG2-CD 4.45Å; T414-K418 WeakPolarHBondContact O-CG 3.36Å; T414-K418 PolarHBondContact O-N 3.12Å; V415-K418 PolarHBondContact O-N 3.34Å; L416-K418 VanDerWaalsContact C-N 3.33Å; L416-K418 PolarHBondContact O-N 3.15Å; K418-R421 WeakPolarHBondContact O-CB 3.44Å; K418-R421 PolarHBondContact O-N 3.07Å; K418-E422 PolarHBondContact O-N 3.26Å; K418-E422 VanDerWaalsContact O-N 3.17Å
419S96.9Very high93.9Very high4 Ų433.5 Ų33.53%0.02818%0.175CC..Hα-helixtrans-69.1-39.317866.90000112.7F384 V415 L416 R421 E422 V423 I446F384-S419 VanDerWaalsContact CZ-CA 3.44Å; V415-S419 PolarHBondContact O-N 3.1Å; V415-S419 PolarHBondContact O-OG 3.24Å; L416-S419 WeakPolarHBondContact CA-OG 3.37Å; L416-S419 PolarHBondContact O-N 3.47Å; L416-S419 VanDerWaalsContact O-N 3.08Å; L416-S419 PolarHBondContact O-OG 3.17Å; S419-R421 VanDerWaalsContact C-N 3.32Å; S419-R421 PolarHBondContact O-N 2.76Å; S419-E422 WeakPolarHBondContact O-CB 3.4Å; S419-E422 PolarHBondContact O-N 3.39Å; S419-V423 PolarHBondContact O-N 3.43Å; S419-I446 WeakPolarHBondContact OG-CG1 3.37Å
420V97.1Very high92.7Very high1 Ų143.7 Ų43.71%0.00621%0.213CC..Hα-helixtrans-65-38.7172.4174.40000110.8L416 E422 V423 E424 I446 T469 R472 L473L416-V420 HydrophobicContact CD1-CG2 4.3Å; L416-V420 PolarHBondContact O-N 3.24Å; V420-E422 VanDerWaalsContact C-N 3.26Å; V420-E422 PolarHBondContact O-N 2.98Å; V420-V423 WeakPolarHBondContact O-CB 3Å; V420-V423 PolarHBondContact O-N 3.06Å; V420-E424 HydrophobicContact CG1-CG 4.49Å; V420-E424 PolarHBondContact O-N 3.26Å; V420-I446 HydrophobicContact CG2-CG2 4.45Å; V420-T469 HydrophobicContact CB-CG2 4.37Å; V420-T469 HydrophobicContact CG2-CG2 3.96Å; V420-R472 HydrophobicContact CG1-CB 4.47Å; V420-L473 HydrophobicContact CG1-CB 4.06Å; V420-L473 HydrophobicContact CG2-CB 4.19Å
421R95.6Very high91.3Very high127 Ų12746.8 Ų46.848%0.47923%0.233SC..Hα-helixtrans-59.9-33.2174.3-172.8-176.9177.9-161.6-0.1112.8G417 K418 S419 V423 E424 R425G417-R421 WeakPolarHBondContact O-CB 3.49Å; G417-R421 PolarHBondContact O-N 3.05Å; K418-R421 WeakPolarHBondContact O-CB 3.44Å; K418-R421 PolarHBondContact O-N 3.07Å; S419-R421 VanDerWaalsContact C-N 3.32Å; S419-R421 PolarHBondContact O-N 2.76Å; R421-V423 VanDerWaalsContact C-N 3.35Å; R421-E424 PolarHBondContact O-N 2.88Å; R421-R425 HydrophobicContact CG-CG 4.46Å; R421-R425 WeakPolarHBondContact O-CB 3.02Å; R421-R425 VanDerWaalsContact O-CG 3.25Å; R421-R425 WeakPolarHBondContact O-CG 3.43Å; R421-R425 PolarHBondContact O-N 3.04Å
422E93.8Very high90Very high5 Ų551.4 Ų51.42%0.02326%0.257CS..Hα-helixtrans-63.2-42.3173-78.1-55100.900112.2Q370 P375 L376 T380 F384 K418 S419 V420 E424 R425 A426Q370-E422 WeakPolarHBondContact CG-OE1 3.42Å; Q370-E422 PolarHBondContact NE2-OE1 2.92Å; P375-E422 WeakPolarHBondContact CA-OE2 3.42Å; L376-E422 HydrophobicContact CD2-CB 4.1Å; L376-E422 PolarHBondContact N-OE2 3.06Å; T380-E422 HydrophobicContact CG2-CG 4.15Å; F384-E422 HydrophobicContact CE2-CG 3.6Å; F384-E422 HydrophobicContact CZ-CG 4.09Å; K418-E422 PolarHBondContact O-N 3.26Å; K418-E422 VanDerWaalsContact O-N 3.17Å; S419-E422 WeakPolarHBondContact O-CB 3.4Å; S419-E422 PolarHBondContact O-N 3.39Å; V420-E422 VanDerWaalsContact C-N 3.26Å; V420-E422 PolarHBondContact O-N 2.98Å; E422-E424 VanDerWaalsContact C-N 3.35Å; E422-R425 PolarHBondContact O-N 2.74Å; E422-R425 IonicContact OE1-CZ 3.92Å; E422-R425 IonicContact OE1-NH1 3.88Å; E422-R425 PolarHBondContact OE1-NH1 3.49Å; E422-R425 IonicContact OE2-NH1 3.7Å; E422-R425 PolarHBondContact OE2-NH1 3.12Å; E422-A426 WeakPolarHBondContact O-CB 3.48Å; E422-A426 PolarHBondContact O-N 3.37Å
423V94.1Very high88.7Confident1 Ų156.1 Ų56.11%0.00629%0.288CS..Hα-helixtrans-64.9-42.5176.5-177.60000110.1S419 V420 R421 R425 A426 V427 F439 L443 I446 L473 L476 P478S419-V423 PolarHBondContact O-N 3.43Å; V420-V423 WeakPolarHBondContact O-CB 3Å; V420-V423 PolarHBondContact O-N 3.06Å; R421-V423 VanDerWaalsContact C-N 3.35Å; V423-R425 PolarHBondContact O-N 3.09Å; V423-A426 PolarHBondContact O-N 3.04Å; V423-V427 HydrophobicContact CG1-CG2 4.26Å; V423-V427 WeakPolarHBondContact O-CB 3.02Å; V423-V427 VanDerWaalsContact O-CG2 3.32Å; V423-V427 WeakPolarHBondContact O-CG2 3.36Å; V423-V427 PolarHBondContact O-N 3.23Å; V423-F439 HydrophobicContact CG1-CE2 3.99Å; V423-F439 HydrophobicContact CG1-CZ 3.79Å; V423-L443 HydrophobicContact CG2-CD2 4.3Å; V423-I446 HydrophobicContact CG2-CD1 3.55Å; V423-L473 HydrophobicContact CB-CD1 4.18Å; V423-L473 HydrophobicContact CG1-CD1 4.02Å; V423-L473 HydrophobicContact CG2-CD1 4.18Å; V423-L476 HydrophobicContact CB-CD1 4.4Å; V423-L476 HydrophobicContact CG1-CD1 3.88Å; V423-P478 HydrophobicContact CG1-CB 4.28Å
424E94.3Very high87.2Confident52 Ų5258 Ų5824%0.24330%0.3CS..Hα-helixtrans-58.4-46174.1-69.4173159.100111.8V420 R421 E422 A426 A428 R472 L476V420-E424 HydrophobicContact CG1-CG 4.49Å; V420-E424 PolarHBondContact O-N 3.26Å; R421-E424 PolarHBondContact O-N 2.88Å; E422-E424 VanDerWaalsContact C-N 3.35Å; E424-A426 VanDerWaalsContact C-N 3.34Å; E424-A426 PolarHBondContact O-N 3.17Å; E424-A428 WeakPolarHBondContact O-CB 3.4Å; E424-A428 PolarHBondContact O-N 3.19Å; E424-R472 IonicContact OE1-CZ 3.98Å; E424-R472 IonicContact OE1-NE 2.94Å; E424-R472 PolarHBondContact OE1-NE 2.95Å; E424-R472 IonicContact OE1-NH2 3.32Å; E424-R472 PolarHBondContact OE1-NH2 2.87Å; E424-R472 IonicContact OE2-CZ 2.98Å; E424-R472 IonicContact OE2-NH2 2.69Å; E424-R472 PolarHBondContact OE2-NH2 3.45Å; E424-L476 HydrophobicContact CB-CD1 4.39Å; E424-L476 HydrophobicContact CG-CD1 3.66Å; E424-L476 HydrophobicContact CG-CD2 4.41Å
425R92.1Very high86.2Confident61 Ų6162.1 Ų62.123%0.2332%0.317CS..Hα-helixtrans-62.1-41.2177.3-72.4172.870.3-149.61111.8Q370 L373 P375 R421 E422 V423 A428Q370-R425 PolarHBondContact O-NH1 3.46Å; Q370-R425 PolarHBondContact O-NH2 3.35Å; L373-R425 PolarHBondContact O-NH2 3.22Å; P375-R425 HydrophobicContact CB-CB 3.86Å; P375-R425 HydrophobicContact CG-CB 3.69Å; R421-R425 HydrophobicContact CG-CG 4.46Å; R421-R425 WeakPolarHBondContact O-CB 3.02Å; R421-R425 VanDerWaalsContact O-CG 3.25Å; R421-R425 WeakPolarHBondContact O-CG 3.43Å; R421-R425 PolarHBondContact O-N 3.04Å; E422-R425 PolarHBondContact O-N 2.74Å; E422-R425 IonicContact OE1-CZ 3.92Å; E422-R425 IonicContact OE1-NH1 3.88Å; E422-R425 PolarHBondContact OE1-NH1 3.49Å; E422-R425 IonicContact OE2-NH1 3.7Å; E422-R425 PolarHBondContact OE2-NH1 3.12Å; V423-R425 PolarHBondContact O-N 3.09Å; R425-A428 PolarHBondContact O-N 3.41Å
426A91.3Very high85.4Confident1 Ų164.9 Ų64.91%0.00834%0.34CS..Hα-helixtrans-69.4-43.4179.700000112.6P375 L376 E422 V423 E424 A428 Q429 P434P375-A426 HydrophobicContact CB-CB 3.9Å; L376-A426 HydrophobicContact CD1-CB 3.34Å; L376-A426 HydrophobicContact CG-CB 3.73Å; E422-A426 WeakPolarHBondContact O-CB 3.48Å; E422-A426 PolarHBondContact O-N 3.37Å; V423-A426 PolarHBondContact O-N 3.04Å; E424-A426 VanDerWaalsContact C-N 3.34Å; E424-A426 PolarHBondContact O-N 3.17Å; A426-A428 PolarHBondContact O-N 3.29Å; A426-Q429 PolarHBondContact O-N 2.88Å; A426-Q429 VanDerWaalsContact O-N 3.15Å; A426-P434 HydrophobicContact CB-CG 4.26Å
427V89.1Confident84.8Confident67 Ų6769.4 Ų69.441%0.40637%0.369SS..Hα-helixtrans-66-28.7176.8173.10000111.6V423 Q429 F439 L476V423-V427 HydrophobicContact CG1-CG2 4.26Å; V423-V427 WeakPolarHBondContact O-CB 3.02Å; V423-V427 VanDerWaalsContact O-CG2 3.32Å; V423-V427 WeakPolarHBondContact O-CG2 3.36Å; V423-V427 PolarHBondContact O-N 3.23Å; V427-Q429 VanDerWaalsContact C-N 3.28Å; V427-Q429 PolarHBondContact O-N 3.43Å; V427-F439 HydrophobicContact CG2-CE2 4.27Å; V427-F439 HydrophobicContact CG2-CZ 4.31Å; V427-L476 HydrophobicContact CG1-CD2 4.48Å
428A88.5Confident84.4Confident76 Ų7671 Ų7163%0.62837%0.371SS*.Hα-helixtrans-70.7-20.6175.400000113.6E424 R425 A426 R430E424-A428 WeakPolarHBondContact O-CB 3.4Å; E424-A428 PolarHBondContact O-N 3.19Å; R425-A428 PolarHBondContact O-N 3.41Å; A426-A428 PolarHBondContact O-N 3.29Å; A428-R430 PolarHBondContact O-N 3.24Å
429Q85.2Confident84.1Confident78 Ų7870.2 Ų70.236%0.36437%0.368SS..  trans-80.897.8177.7-71.3-177.1-27.100110.4P375 A426 V427P375-Q429 HydrophobicContact CG-CG 4.46Å; A426-Q429 PolarHBondContact O-N 2.88Å; A426-Q429 VanDerWaalsContact O-N 3.15Å; V427-Q429 VanDerWaalsContact C-N 3.28Å; V427-Q429 PolarHBondContact O-N 3.43Å
430R67.6Low83.8Confident229 Ų22972 Ų7286%0.86438%0.377SS*.SBendtrans-76-28.8-178.6-66.4-170.1177.8-157.4-1.2114.1A428A428-R430 PolarHBondContact O-N 3.24Å
431D63.4Low83.6Confident164 Ų16476.1 Ų76.188%0.87740%0.395SS*.SBendtrans-90.3-14.6-169.8-58.1-42000113.8
432N64.8Low83.6Confident121 Ų12170.7 Ų70.765%0.64738%0.377SS*.SBendtrans-144.186.5179.8-162.315.8000110
433P66.1Low83.7Confident98 Ų9870.5 Ų70.564%0.63638%0.377SS*.PPolyproline II helixtrans-64141.5-178.126.8-33.3000110.1
434P66.1Low83.8Confident45 Ų4570.8 Ų70.829%0.29238%0.378SS..PPolyproline II helixtrans-64.5145-176.326.6-34.7000111.7L376 A426 A436 F439L376-P434 HydrophobicContact CD1-CB 3.56Å; L376-P434 HydrophobicContact CD1-CG 4.04Å; A426-P434 HydrophobicContact CB-CG 4.26Å; P434-A436 PolarHBondContact O-N 3.33Å; P434-F439 HydrophobicContact CB-CD2 4.11Å; P434-F439 HydrophobicContact CG-CB 4.47Å; P434-F439 HydrophobicContact CG-CD2 3.48Å; P434-F439 VanDerWaalsContact CG-CD2 3.48Å; P434-F439 HydrophobicContact CG-CE2 4.08Å; P434-F439 HydrophobicContact CG-CG 4.3Å
435E75.6Confident83.9Confident123 Ų12368.4 Ų68.458%0.57537%0.367SS*.PPolyproline II helixtrans-58.3128.5174.5-67-177.4178.100110.2P437 Q438 F439E435-P437 VanDerWaalsContact C-CD 3.4Å; E435-P437 VanDerWaalsContact C-N 3.31Å; E435-P437 VanDerWaalsContact O-N 3.14Å; E435-Q438 HydrophobicContact CB-CB 4.49Å; E435-Q438 HydrophobicContact CB-CG 4.09Å; E435-Q438 PolarHBondContact O-N 3.25Å; E435-Q438 PolarHBondContact OE2-NE2 3.07Å; E435-F439 PolarHBondContact O-N 3.47Å; E435-F439 VanDerWaalsContact O-N 3.08Å
436A79.9Confident84.2Confident58 Ų5865.6 Ų65.648%0.47936%0.357SS..Hα-helixtrans-51.3-39.7-176.100000114.4P434 N440P434-A436 PolarHBondContact O-N 3.33Å; A436-N440 VanDerWaalsContact O-CB 3.26Å; A436-N440 WeakPolarHBondContact O-CB 3.47Å; A436-N440 PolarHBondContact O-N 3.06Å
437P85.4Confident84.5Confident95 Ų9565.6 Ų65.662%0.61736%0.357SS*.Hα-helixtrans-64.6-39176.3-2335000113.9E435 K441E435-P437 VanDerWaalsContact C-CD 3.4Å; E435-P437 VanDerWaalsContact C-N 3.31Å; E435-P437 VanDerWaalsContact O-N 3.14Å; P437-K441 WeakPolarHBondContact O-CB 3.49Å; P437-K441 PolarHBondContact O-N 2.9Å
438Q87.6Confident84.9Confident53 Ų5362.4 Ų62.425%0.24834%0.337CS..Hα-helixtrans-69.1-43.8-179.7-60.1-178.915.700110.3L376 E435 K441 A442L376-Q438 PolarHBondContact O-OE1 2.88Å; E435-Q438 HydrophobicContact CB-CB 4.49Å; E435-Q438 HydrophobicContact CB-CG 4.09Å; E435-Q438 PolarHBondContact O-N 3.25Å; E435-Q438 PolarHBondContact OE2-NE2 3.07Å; Q438-K441 PolarHBondContact O-N 3.34Å; Q438-A442 PolarHBondContact O-N 3.34Å
439F90.9Very high85.3Confident16 Ų1658.8 Ų58.87%0.0731%0.307CS..Hα-helixtrans-61.4-47.6175.7-160.8-92.6000111.8L376 V423 V427 P434 E435 K441 A442 L443 P478 R479L376-F439 HydrophobicContact CD1-CB 4.33Å; L376-F439 HydrophobicContact CD1-CD2 3.42Å; L376-F439 VanDerWaalsContact CD1-CD2 3.42Å; L376-F439 HydrophobicContact CD1-CE2 4.15Å; L376-F439 HydrophobicContact CD1-CG 4.3Å; V423-F439 HydrophobicContact CG1-CE2 3.99Å; V423-F439 HydrophobicContact CG1-CZ 3.79Å; V427-F439 HydrophobicContact CG2-CE2 4.27Å; V427-F439 HydrophobicContact CG2-CZ 4.31Å; P434-F439 HydrophobicContact CB-CD2 4.11Å; P434-F439 HydrophobicContact CG-CB 4.47Å; P434-F439 HydrophobicContact CG-CD2 3.48Å; P434-F439 VanDerWaalsContact CG-CD2 3.48Å; P434-F439 HydrophobicContact CG-CE2 4.08Å; P434-F439 HydrophobicContact CG-CG 4.3Å; E435-F439 PolarHBondContact O-N 3.47Å; E435-F439 VanDerWaalsContact O-N 3.08Å; F439-K441 VanDerWaalsContact C-N 3.33Å; F439-K441 PolarHBondContact O-N 2.92Å; F439-A442 PolarHBondContact O-N 3.33Å; F439-L443 HydrophobicContact CD1-CD1 3.92Å; F439-L443 HydrophobicContact CD1-CG 4.19Å; F439-L443 HydrophobicContact CE1-CD1 3.74Å; F439-L443 HydrophobicContact CE1-CD2 4.35Å; F439-L443 HydrophobicContact CE1-CG 4.09Å; F439-L443 PolarHBondContact O-N 2.91Å; F439-P478 HydrophobicContact CE1-CB 3.74Å; F439-P478 HydrophobicContact CZ-CB 3.75Å; F439-R479 WeakPolarHBondContact CD1-O 3.29Å; F439-R479 WeakPolarHBondContact CE1-O 3.48Å
440N92.3Very high85.9Confident42 Ų4255.1 Ų55.123%0.22529%0.29CS..Hα-helixtrans-58.3-44176.3-171.879.8000112.2A436 A442 L443 S444 R481A436-N440 VanDerWaalsContact O-CB 3.26Å; A436-N440 WeakPolarHBondContact O-CB 3.47Å; A436-N440 PolarHBondContact O-N 3.06Å; N440-A442 PolarHBondContact O-N 3.32Å; N440-L443 PolarHBondContact O-N 2.88Å; N440-S444 PolarHBondContact O-N 3.25Å; N440-R481 HydrophobicContact CB-CB 4.19Å; N440-R481 WeakPolarHBondContact OD1-CB 3.45Å; N440-R481 PolarHBondContact OD1-N 3.35Å
441K92.8Very high87.3Confident86 Ų8645.7 Ų45.737%0.37426%0.256SS..Hα-helixtrans-62.1-42.7177.6-173.5171.8-176175.20111.6P437 Q438 F439 S444 I445P437-K441 WeakPolarHBondContact O-CB 3.49Å; P437-K441 PolarHBondContact O-N 2.9Å; Q438-K441 PolarHBondContact O-N 3.34Å; F439-K441 VanDerWaalsContact C-N 3.33Å; F439-K441 PolarHBondContact O-N 2.92Å; K441-S444 PolarHBondContact O-N 3.39Å; K441-I445 HydrophobicContact CG-CD1 4.05Å; K441-I445 VanDerWaalsContact O-CG1 3.29Å; K441-I445 WeakPolarHBondContact O-CG1 3.43Å; K441-I445 PolarHBondContact O-N 3.05Å
442A94.9Very high88.8Confident13 Ų1337.9 Ų37.911%0.10721%0.214CC..Hα-helixtrans-62.1-45.3177.100000112.2L376 Q438 F439 N440 S444 I445 I446L376-A442 HydrophobicContact CD2-CB 3.49Å; L376-A442 VanDerWaalsContact CD2-CB 3.49Å; Q438-A442 PolarHBondContact O-N 3.34Å; F439-A442 PolarHBondContact O-N 3.33Å; N440-A442 PolarHBondContact O-N 3.32Å; A442-S444 PolarHBondContact O-N 2.93Å; A442-I445 PolarHBondContact O-N 2.86Å; A442-I446 VanDerWaalsContact O-CG1 3.3Å; A442-I446 WeakPolarHBondContact O-CG1 3.12Å; A442-I446 PolarHBondContact O-N 3.44Å
443L95.6Very high90.1Very high2 Ų232.1 Ų32.11%0.0118%0.183CC..Hα-helixtrans-60.9-43.8175.3-66-177.2000112.2V423 F439 N440 I445 I446 L447 L473 P478 M489V423-L443 HydrophobicContact CG2-CD2 4.3Å; F439-L443 HydrophobicContact CD1-CD1 3.92Å; F439-L443 HydrophobicContact CD1-CG 4.19Å; F439-L443 HydrophobicContact CE1-CD1 3.74Å; F439-L443 HydrophobicContact CE1-CD2 4.35Å; F439-L443 HydrophobicContact CE1-CG 4.09Å; F439-L443 PolarHBondContact O-N 2.91Å; N440-L443 PolarHBondContact O-N 2.88Å; L443-I445 VanDerWaalsContact C-N 3.35Å; L443-I445 PolarHBondContact O-N 3.05Å; L443-I446 WeakPolarHBondContact O-CB 3.26Å; L443-I446 PolarHBondContact O-N 2.87Å; L443-L447 WeakPolarHBondContact O-CG 3.38Å; L443-L447 PolarHBondContact O-N 3.42Å; L443-L473 HydrophobicContact CD2-CD1 4.14Å; L443-P478 HydrophobicContact CD1-CB 4.2Å; L443-P478 HydrophobicContact CD2-CB 3.88Å; L443-P478 HydrophobicContact CD2-CG 4.12Å; L443-M489 HydrophobicContact CB-CE 4.09Å; L443-M489 HydrophobicContact CB-SD 3.72Å; L443-M489 HydrophobicContact CD1-SD 4.04Å
444S96Very high91.4Very high6 Ų630.6 Ų30.64%0.04217%0.168CC..Hα-helixtrans-58.7-46.1175.7177.30000111.2N440 K441 A442 I446 L447 H448 T495 V498N440-S444 PolarHBondContact O-N 3.25Å; K441-S444 PolarHBondContact O-N 3.39Å; A442-S444 PolarHBondContact O-N 2.93Å; S444-I446 VanDerWaalsContact C-N 3.33Å; S444-I446 PolarHBondContact O-N 3.17Å; S444-L447 PolarHBondContact O-N 3.36Å; S444-H448 PolarHBondContact O-N 2.85Å; S444-H448 PolarHBondContact O-ND1 3.15Å; S444-T495 PolarHBondContact OG-O 3.28Å; S444-V498 WeakPolarHBondContact OG-CG2 3.48Å
445I97.1Very high92.5Very high3 Ų333.6 Ų33.62%0.01518%0.176CC..Hα-helixtrans-61.3-41.2177.1-64.2162.8000111.3A381 F384 L385 K441 A442 L443 L447 H448 L449 V498A381-I445 HydrophobicContact CB-CD1 4.44Å; A381-I445 WeakPolarHBondContact O-CD1 3.46Å; F384-I445 HydrophobicContact CB-CG2 3.77Å; L385-I445 HydrophobicContact CB-CD1 4Å; L385-I445 HydrophobicContact CB-CG1 4.35Å; K441-I445 HydrophobicContact CG-CD1 4.05Å; K441-I445 VanDerWaalsContact O-CG1 3.29Å; K441-I445 WeakPolarHBondContact O-CG1 3.43Å; K441-I445 PolarHBondContact O-N 3.05Å; A442-I445 PolarHBondContact O-N 2.86Å; L443-I445 VanDerWaalsContact C-N 3.35Å; L443-I445 PolarHBondContact O-N 3.05Å; I445-L447 PolarHBondContact O-N 3.07Å; I445-H448 WeakPolarHBondContact O-CB 3.45Å; I445-H448 PolarHBondContact O-N 3.38Å; I445-L449 HydrophobicContact CG2-CD1 4.27Å; I445-L449 HydrophobicContact CG2-CG 4.49Å; I445-L449 WeakPolarHBondContact O-CG 3.24Å; I445-L449 PolarHBondContact O-N 3.35Å; I445-V498 HydrophobicContact CG1-CG2 3.53Å
446I97.8Very high93.1Very high1 Ų128.8 Ų28.81%0.00515%0.154CC..Hα-helixtrans-59.9-45.9176.7-70.2165.3000111.2L416 S419 V420 V423 A442 L443 S444 H448 L449 I450 L473L416-I446 HydrophobicContact CD1-CG2 3.86Å; S419-I446 WeakPolarHBondContact OG-CG1 3.37Å; V420-I446 HydrophobicContact CG2-CG2 4.45Å; V423-I446 HydrophobicContact CG2-CD1 3.55Å; A442-I446 VanDerWaalsContact O-CG1 3.3Å; A442-I446 WeakPolarHBondContact O-CG1 3.12Å; A442-I446 PolarHBondContact O-N 3.44Å; L443-I446 WeakPolarHBondContact O-CB 3.26Å; L443-I446 PolarHBondContact O-N 2.87Å; S444-I446 VanDerWaalsContact C-N 3.33Å; S444-I446 PolarHBondContact O-N 3.17Å; I446-H448 VanDerWaalsContact C-N 3.27Å; I446-H448 PolarHBondContact O-N 3.48Å; I446-L449 PolarHBondContact O-N 3.24Å; I446-L449 VanDerWaalsContact O-N 3.13Å; I446-I450 HydrophobicContact CG2-CD1 3.91Å; I446-I450 HydrophobicContact CG2-CG1 4.49Å; I446-I450 WeakPolarHBondContact O-CG1 3.49Å; I446-I450 PolarHBondContact O-N 2.65Å; I446-L473 HydrophobicContact CD1-CD1 4.18Å; I446-L473 HydrophobicContact CG2-CD2 3.72Å
447L97.9Very high93.4Very high1 Ų135 Ų351%0.00517%0.173CC..Hα-helixtrans-61.9-36.3177.4-67.6178000112.2L443 S444 I445 I450 F451 P486 M489 T495 F506 V511 L515L443-L447 WeakPolarHBondContact O-CG 3.38Å; L443-L447 PolarHBondContact O-N 3.42Å; S444-L447 PolarHBondContact O-N 3.36Å; I445-L447 PolarHBondContact O-N 3.07Å; L447-I450 HydrophobicContact CD2-CD1 4.37Å; L447-I450 PolarHBondContact O-N 3.4Å; L447-F451 WeakPolarHBondContact O-CB 3.4Å; L447-F451 PolarHBondContact O-N 2.94Å; L447-P486 HydrophobicContact CD2-CB 4.22Å; L447-M489 HydrophobicContact CD1-CB 3.42Å; L447-M489 VanDerWaalsContact CD1-CB 3.42Å; L447-M489 HydrophobicContact CD1-SD 4.49Å; L447-T495 HydrophobicContact CD1-CG2 4.15Å; L447-F506 HydrophobicContact CB-CE1 4.12Å; L447-F506 HydrophobicContact CB-CZ 3.81Å; L447-V511 HydrophobicContact CD2-CG1 3.96Å; L447-L515 HydrophobicContact CD2-CD1 4Å; L447-L515 HydrophobicContact CD2-CD2 4.44Å
448H97.7Very high93.5Very high0 Ų032.2 Ų32.20%016%0.156CC..Hα-helixtrans-66.5-40.1173.4-75.991.9000112.9S444 I445 I446 I450 F451 L452 T495 V498 V503 G504 F506S444-H448 PolarHBondContact O-N 2.85Å; S444-H448 PolarHBondContact O-ND1 3.15Å; I445-H448 WeakPolarHBondContact O-CB 3.45Å; I445-H448 PolarHBondContact O-N 3.38Å; I446-H448 VanDerWaalsContact C-N 3.27Å; I446-H448 PolarHBondContact O-N 3.48Å; H448-I450 VanDerWaalsContact C-N 3.33Å; H448-F451 WeakPolarHBondContact O-CB 3.48Å; H448-F451 PolarHBondContact O-N 3.32Å; H448-L452 WeakPolarHBondContact O-CG 3.41Å; H448-L452 PolarHBondContact O-N 3.18Å; H448-T495 PolarHBondContact CE1-O 3.34Å; H448-V498 WeakPolarHBondContact CE1-CG1 3.38Å; H448-V503 HydrophobicContact CB-CB 4.37Å; H448-V503 HydrophobicContact CB-CG1 3.81Å; H448-G504 PolarHBondContact CD2-N 2.95Å; H448-G504 VanDerWaalsContact CD2-N 3.32Å; H448-F506 AromaticContact CD2-CE2 3.7Å; H448-F506 AromaticContact CE1-CE2 3.66Å; H448-F506 AromaticContact CG-CE2 3.96Å; H448-F506 AromaticContact ND1-CE2 3.91Å; H448-F506 AromaticContact NE2-CD2 3.96Å; H448-F506 AromaticContact NE2-CE2 3.54Å
449L97.3Very high93.8Very high0 Ų033 Ų330%016%0.162CC..Hα-helixtrans-64.3-39.8174.4-69170.6000111.3A388 F391 L412 V415 L416 I445 I446 L452 L453A388-L449 HydrophobicContact CB-CD2 3.87Å; A388-L449 HydrophobicContact CB-CG 4.4Å; F391-L449 HydrophobicContact CD2-CD2 4.23Å; L412-L449 HydrophobicContact CD2-CD2 4.31Å; V415-L449 HydrophobicContact CG1-CD1 3.94Å; V415-L449 HydrophobicContact CG1-CD2 4.2Å; L416-L449 HydrophobicContact CD1-CB 4.17Å; I445-L449 HydrophobicContact CG2-CD1 4.27Å; I445-L449 HydrophobicContact CG2-CG 4.49Å; I445-L449 WeakPolarHBondContact O-CG 3.24Å; I445-L449 PolarHBondContact O-N 3.35Å; I446-L449 PolarHBondContact O-N 3.24Å; I446-L449 VanDerWaalsContact O-N 3.13Å; L449-L452 PolarHBondContact O-N 2.98Å; L449-L453 PolarHBondContact O-N 3.11Å
450I97.2Very high94Very high1 Ų137.1 Ų37.11%0.00519%0.19CC..Hα-helixtrans-61.5-46.7172.5-67.6167.2000110.3L416 I446 L447 H448 L452 L453 E454 V470 V511 L514L416-I450 HydrophobicContact CD1-CG1 3.95Å; L416-I450 HydrophobicContact CD2-CG1 4.24Å; I446-I450 HydrophobicContact CG2-CD1 3.91Å; I446-I450 HydrophobicContact CG2-CG1 4.49Å; I446-I450 WeakPolarHBondContact O-CG1 3.49Å; I446-I450 PolarHBondContact O-N 2.65Å; L447-I450 HydrophobicContact CD2-CD1 4.37Å; L447-I450 PolarHBondContact O-N 3.4Å; H448-I450 VanDerWaalsContact C-N 3.33Å; I450-L452 VanDerWaalsContact C-N 3.26Å; I450-L452 PolarHBondContact O-N 3.34Å; I450-L453 WeakPolarHBondContact O-CB 3.37Å; I450-L453 PolarHBondContact O-N 3.28Å; I450-L453 VanDerWaalsContact O-N 3.08Å; I450-E454 PolarHBondContact O-N 3.48Å; I450-V470 HydrophobicContact CD1-CG2 3.87Å; I450-V470 HydrophobicContact CG1-CG2 4.2Å; I450-V511 HydrophobicContact CG2-CG1 4.12Å; I450-V511 HydrophobicContact CG2-CG2 4.34Å; I450-L514 HydrophobicContact CG2-CD2 3.56Å
451F96.4Very high94.2Very high32 Ų3241.5 Ų41.514%0.1421%0.209CC..Hα-helixtrans-56.8-38.7176.3175.1-92.1000112.7L447 H448 K455 G504 F506 V511L447-F451 WeakPolarHBondContact O-CB 3.4Å; L447-F451 PolarHBondContact O-N 2.94Å; H448-F451 WeakPolarHBondContact O-CB 3.48Å; H448-F451 PolarHBondContact O-N 3.32Å; F451-K455 HydrophobicContact CE1-CD 4.47Å; F451-K455 VanDerWaalsContact CE1-NZ 3.34Å; F451-G504 VanDerWaalsContact CD1-CA 3.44Å; F451-F506 HydrophobicContact CB-CZ 4.3Å; F451-V511 HydrophobicContact CB-CG2 3.8Å; F451-V511 HydrophobicContact CD2-CG2 4.1Å; F451-V511 HydrophobicContact CG-CG2 4.47Å
452L94.6Very high94.3Very high0 Ų040 Ų400%020%0.203CC..Hα-helixtrans-71.5-36.3176-66.4177.3000112.5A388 F391 L395 L412 H448 L449 I450 E454 K455 V503A388-L452 WeakPolarHBondContact O-CD1 3.43Å; F391-L452 HydrophobicContact CB-CD1 3.76Å; L395-L452 HydrophobicContact CD1-CB 4.2Å; L395-L452 HydrophobicContact CD1-CD2 4.17Å; L412-L452 HydrophobicContact CD2-CB 3.95Å; L412-L452 HydrophobicContact CD2-CD1 4.27Å; H448-L452 WeakPolarHBondContact O-CG 3.41Å; H448-L452 PolarHBondContact O-N 3.18Å; L449-L452 PolarHBondContact O-N 2.98Å; I450-L452 VanDerWaalsContact C-N 3.26Å; I450-L452 PolarHBondContact O-N 3.34Å; L452-E454 VanDerWaalsContact C-N 3.33Å; L452-K455 WeakPolarHBondContact O-CB 3.2Å; L452-K455 PolarHBondContact O-N 3.34Å; L452-V503 HydrophobicContact CD1-CG1 3.85Å; L452-V503 HydrophobicContact CD2-CG1 4.29Å; L452-V503 HydrophobicContact CG-CG1 4.11Å
453L93.6Very high94.3Very high0 Ų041.7 Ų41.70%021%0.209CC..Hα-helixtrans-64.5-35.8175.1-82.1162.9000112.4F409 L412 M413 L416 L449 I450 K455 L456 K466F409-L453 HydrophobicContact CD2-CD2 3.81Å; F409-L453 HydrophobicContact CE2-CD2 3.85Å; L412-L453 HydrophobicContact CB-CD2 3.65Å; L412-L453 HydrophobicContact CB-CG 4.02Å; L412-L453 HydrophobicContact CD1-CD2 4.5Å; M413-L453 HydrophobicContact SD-CD1 4.42Å; L416-L453 HydrophobicContact CB-CD1 4.2Å; L416-L453 HydrophobicContact CD2-CD1 3.44Å; L416-L453 VanDerWaalsContact CD2-CD1 3.44Å; L416-L453 HydrophobicContact CG-CD1 4.38Å; L449-L453 PolarHBondContact O-N 3.11Å; I450-L453 WeakPolarHBondContact O-CB 3.37Å; I450-L453 PolarHBondContact O-N 3.28Å; I450-L453 VanDerWaalsContact O-N 3.08Å; L453-K455 PolarHBondContact O-N 2.89Å; L453-K455 VanDerWaalsContact O-N 3.11Å; L453-L456 HydrophobicContact CD2-CD1 4.47Å; L453-L456 WeakPolarHBondContact O-CB 3.1Å; L453-L456 PolarHBondContact O-N 3.43Å; L453-K466 HydrophobicContact CB-CD 4.26Å
454E92.3Very high94.4Very high66 Ų6648 Ų4831%0.30824%0.238SC..THydrogen-bonded Turntrans-62.5-15.6174.3-71.4-56.9106.700113.6I450 L452 L456 K466 A510I450-E454 PolarHBondContact O-N 3.48Å; L452-E454 VanDerWaalsContact C-N 3.33Å; E454-L456 VanDerWaalsContact C-N 3.34Å; E454-K466 WeakPolarHBondContact OE1-CE 3.34Å; E454-K466 IonicContact OE1-NZ 3.9Å; E454-K466 PolarHBondContact OE1-NZ 3.23Å; E454-A510 HydrophobicContact CG-CB 4.38Å
455K88.9Confident94.4Very high108 Ų10851.2 Ų51.247%0.4725%0.252SS..THydrogen-bonded Turntrans-87.1-4.4174.7-60.6-176.5177.2-178.20113.4F451 L452 L453F451-K455 HydrophobicContact CE1-CD 4.47Å; F451-K455 VanDerWaalsContact CE1-NZ 3.34Å; L452-K455 WeakPolarHBondContact O-CB 3.2Å; L452-K455 PolarHBondContact O-N 3.34Å; L453-K455 PolarHBondContact O-N 2.89Å; L453-K455 VanDerWaalsContact O-N 3.11Å
456L88.6Confident94.3Very high21 Ų2151.3 Ų51.311%0.1125%0.253CS..SBendtrans-101.6138.2178.8-66-174.5000111.1L395 F409 L412 L453 E454 C458L395-L456 HydrophobicContact CD2-CD2 3.72Å; F409-L456 HydrophobicContact CB-CD1 4.42Å; L412-L456 HydrophobicContact CD1-CD1 3.55Å; L412-L456 HydrophobicContact CD1-CG 4.35Å; L453-L456 HydrophobicContact CD2-CD1 4.47Å; L453-L456 WeakPolarHBondContact O-CB 3.1Å; L453-L456 PolarHBondContact O-N 3.43Å; E454-L456 VanDerWaalsContact C-N 3.34Å; L456-C458 PolarHBondContact O-N 3.45Å; L456-C458 PolarHBondContact O-SG 3.29Å
457E85.8Confident94.3Very high190 Ų19054.4 Ų54.489%0.88827%0.266SS*.  trans-67.3122.7167.2-66.1176.3177.600109.2
458C88.9Confident94.3Very high36 Ų3658.9 Ų58.924%0.24329%0.287CS..  trans-114.2138.2-179.7-63.10000109.9L456 Q462 E463L456-C458 PolarHBondContact O-N 3.45Å; L456-C458 PolarHBondContact O-SG 3.29Å; C458-Q462 HydrophobicContact CB-CB 3.97Å; C458-E463 HydrophobicContact CB-CB 4.49Å
459N94.1Very high94.3Very high70 Ų7059.3 Ų59.337%0.37429%0.289SS..  trans-76.6168.5165.169.524.8000110.7E461 Q462 E463N459-E461 VanDerWaalsContact C-N 3.27Å; N459-E461 PolarHBondContact O-N 3.38Å; N459-E461 PolarHBondContact OD1-N 3.16Å; N459-E461 PolarHBondContact OD1-OE2 3.16Å; N459-Q462 PolarHBondContact O-N 3.34Å; N459-Q462 VanDerWaalsContact OD1-CB 3.27Å; N459-Q462 WeakPolarHBondContact OD1-CB 3.35Å; N459-Q462 WeakPolarHBondContact OD1-CG 3.31Å; N459-Q462 PolarHBondContact OD1-N 2.95Å; N459-E463 WeakPolarHBondContact O-CB 3.41Å; N459-E463 PolarHBondContact O-N 3.3Å
460P95.3Very high94.3Very high102 Ų10259.4 Ų59.466%0.66229%0.29SS*.Hα-helixtrans-56.6-36.3-177.2-27.637000114.3H464P460-H464 WeakPolarHBondContact O-CB 3.33Å; P460-H464 PolarHBondContact O-N 3.22Å
461E95.3Very high94.4Very high134 Ų13464.9 Ų64.963%0.62631%0.311SS*.Hα-helixtrans-68.6-43.1178-63.876.9-165.900112.1N459 E463 H464 Q465N459-E461 VanDerWaalsContact C-N 3.27Å; N459-E461 PolarHBondContact O-N 3.38Å; N459-E461 PolarHBondContact OD1-N 3.16Å; N459-E461 PolarHBondContact OD1-OE2 3.16Å; E461-E463 VanDerWaalsContact C-N 3.35Å; E461-H464 WeakPolarHBondContact O-CB 3.32Å; E461-H464 PolarHBondContact O-N 3Å; E461-Q465 PolarHBondContact O-N 2.85Å
462Q95.7Very high94.4Very high53 Ų5367.4 Ų67.425%0.24832%0.32CS..Hα-helixtrans-64.2-41.7175.5-73.2170.7-24.700111.1F409 C458 N459 H464 Q465 K466F409-Q462 HydrophobicContact CD1-CB 4.06Å; F409-Q462 HydrophobicContact CD1-CG 3.59Å; F409-Q462 HydrophobicContact CD2-CB 4.19Å; F409-Q462 HydrophobicContact CD2-CG 4.43Å; F409-Q462 HydrophobicContact CE1-CB 3.71Å; F409-Q462 HydrophobicContact CE1-CG 3.61Å; F409-Q462 HydrophobicContact CE2-CB 3.86Å; F409-Q462 HydrophobicContact CE2-CG 4.44Å; F409-Q462 HydrophobicContact CG-CB 4.29Å; F409-Q462 HydrophobicContact CG-CG 4.03Å; F409-Q462 HydrophobicContact CZ-CB 3.61Å; F409-Q462 HydrophobicContact CZ-CG 4.06Å; F409-Q462 VanDerWaalsContact CZ-O 3.29Å; F409-Q462 WeakPolarHBondContact CZ-O 3.39Å; C458-Q462 HydrophobicContact CB-CB 3.97Å; N459-Q462 PolarHBondContact O-N 3.34Å; N459-Q462 VanDerWaalsContact OD1-CB 3.27Å; N459-Q462 WeakPolarHBondContact OD1-CB 3.35Å; N459-Q462 WeakPolarHBondContact OD1-CG 3.31Å; N459-Q462 PolarHBondContact OD1-N 2.95Å; Q462-H464 VanDerWaalsContact C-N 3.33Å; Q462-H464 PolarHBondContact O-N 3.02Å; Q462-Q465 PolarHBondContact O-N 3.09Å; Q462-K466 WeakPolarHBondContact O-CB 3.31Å; Q462-K466 PolarHBondContact O-N 3.41Å
463E94.8Very high94.5Very high50 Ų5067.5 Ų67.523%0.23432%0.32CS..Hα-helixtrans-61.2-43.5175.9-167.960-151.100111.2C458 N459 E461 K466 K467C458-E463 HydrophobicContact CB-CB 4.49Å; N459-E463 WeakPolarHBondContact O-CB 3.41Å; N459-E463 PolarHBondContact O-N 3.3Å; E461-E463 VanDerWaalsContact C-N 3.35Å; E463-K466 VanDerWaalsContact CD-CE 3.4Å; E463-K466 PolarHBondContact O-N 2.85Å; E463-K466 WeakPolarHBondContact OE1-CE 3.45Å; E463-K466 IonicContact OE1-NZ 3.44Å; E463-K466 PolarHBondContact OE1-NZ 3.17Å; E463-K466 VanDerWaalsContact OE2-CE 3.26Å; E463-K466 WeakPolarHBondContact OE2-CE 3.25Å; E463-K466 IonicContact OE2-NZ 2.94Å; E463-K466 PolarHBondContact OE2-NZ 3.43Å; E463-K467 HydrophobicContact CG-CD 4.39Å; E463-K467 WeakPolarHBondContact O-CB 3.42Å; E463-K467 WeakPolarHBondContact O-CG 3.26Å; E463-K467 PolarHBondContact O-N 3.39Å; E463-K467 VanDerWaalsContact OE1-CE 3.27Å; E463-K467 WeakPolarHBondContact OE1-CE 3.16Å
464H96.1Very high94.7Very high133 Ų13368.6 Ų68.662%0.61633%0.326SS*.Hα-helixtrans-61.2-45.6174-179.178.4000111.9P460 E461 Q462 K466 K467 H468P460-H464 WeakPolarHBondContact O-CB 3.33Å; P460-H464 PolarHBondContact O-N 3.22Å; E461-H464 WeakPolarHBondContact O-CB 3.32Å; E461-H464 PolarHBondContact O-N 3Å; Q462-H464 VanDerWaalsContact C-N 3.33Å; Q462-H464 PolarHBondContact O-N 3.02Å; H464-K466 VanDerWaalsContact C-N 3.34Å; H464-K466 PolarHBondContact O-N 3.25Å; H464-K467 PolarHBondContact O-N 2.98Å; H464-H468 VanDerWaalsContact O-CB 3.27Å; H464-H468 WeakPolarHBondContact O-CB 3.12Å; H464-H468 PolarHBondContact O-N 3.06Å
465Q96.8Very high94.9Very high75 Ų7572.9 Ų72.935%0.3534%0.344SS..Hα-helixtrans-61.7-41.8179-174.1-177.73.200112.3M413 E461 Q462 T469M413-Q465 HydrophobicContact CE-CG 4.14Å; M413-Q465 HydrophobicContact CG-CG 4.15Å; M413-Q465 HydrophobicContact SD-CG 4.33Å; E461-Q465 PolarHBondContact O-N 2.85Å; Q462-Q465 PolarHBondContact O-N 3.09Å; Q465-T469 PolarHBondContact O-N 2.99Å; Q465-T469 VanDerWaalsContact O-N 3.14Å; Q465-T469 PolarHBondContact O-OG1 3.02Å
466K96.1Very high95.1Very high4 Ų470.2 Ų70.22%0.01733%0.334CS..Hα-helixtrans-59.6-55.7174.3-177.4-17668-177.10110.3M413 L453 E454 Q462 E463 H464 H468 T469 V470 L514M413-K466 HydrophobicContact SD-CB 4.44Å; L453-K466 HydrophobicContact CB-CD 4.26Å; E454-K466 WeakPolarHBondContact OE1-CE 3.34Å; E454-K466 IonicContact OE1-NZ 3.9Å; E454-K466 PolarHBondContact OE1-NZ 3.23Å; Q462-K466 WeakPolarHBondContact O-CB 3.31Å; Q462-K466 PolarHBondContact O-N 3.41Å; E463-K466 VanDerWaalsContact CD-CE 3.4Å; E463-K466 PolarHBondContact O-N 2.85Å; E463-K466 WeakPolarHBondContact OE1-CE 3.45Å; E463-K466 IonicContact OE1-NZ 3.44Å; E463-K466 PolarHBondContact OE1-NZ 3.17Å; E463-K466 VanDerWaalsContact OE2-CE 3.26Å; E463-K466 WeakPolarHBondContact OE2-CE 3.25Å; E463-K466 IonicContact OE2-NZ 2.94Å; E463-K466 PolarHBondContact OE2-NZ 3.43Å; H464-K466 VanDerWaalsContact C-N 3.34Å; H464-K466 PolarHBondContact O-N 3.25Å; K466-H468 PolarHBondContact O-N 3.44Å; K466-T469 PolarHBondContact O-N 2.92Å; K466-T469 VanDerWaalsContact O-N 3.13Å; K466-V470 WeakPolarHBondContact O-CG2 3.16Å; K466-V470 PolarHBondContact O-N 3.48Å; K466-L514 HydrophobicContact CD-CD2 4.18Å; K466-L514 HydrophobicContact CG-CD2 4.38Å
467K97.1Very high95.3Very high67 Ų6773.9 Ų73.929%0.29135%0.354SS..Hα-helixtrans-59.5-43.7180-73.1-179.6174.2-172.40112.8E463 H464 T469 V470 Y471 L514 E517E463-K467 HydrophobicContact CG-CD 4.39Å; E463-K467 WeakPolarHBondContact O-CB 3.42Å; E463-K467 WeakPolarHBondContact O-CG 3.26Å; E463-K467 PolarHBondContact O-N 3.39Å; E463-K467 VanDerWaalsContact OE1-CE 3.27Å; E463-K467 WeakPolarHBondContact OE1-CE 3.16Å; H464-K467 PolarHBondContact O-N 2.98Å; K467-T469 VanDerWaalsContact C-N 3.28Å; K467-T469 PolarHBondContact O-N 2.84Å; K467-V470 PolarHBondContact O-N 3.13Å; K467-Y471 WeakPolarHBondContact O-CB 3.12Å; K467-Y471 PolarHBondContact O-N 3.16Å; K467-L514 HydrophobicContact CG-CD1 3.82Å; K467-E517 WeakPolarHBondContact CE-OE2 3.49Å; K467-E517 IonicContact NZ-OE2 3.6Å; K467-E517 PolarHBondContact NZ-OE2 2.98Å
468H97.6Very high95.6Very high95 Ų9565.1 Ų65.144%0.4431%0.313SS..Hα-helixtrans-60.4-38.1176.8177-95.9000112.3H464 K466 Y471 R472H464-H468 VanDerWaalsContact O-CB 3.27Å; H464-H468 WeakPolarHBondContact O-CB 3.12Å; H464-H468 PolarHBondContact O-N 3.06Å; K466-H468 PolarHBondContact O-N 3.44Å; H468-Y471 PolarHBondContact O-N 3.38Å; H468-R472 WeakPolarHBondContact O-CG 3.42Å; H468-R472 PolarHBondContact O-N 3.31Å
469T97.9Very high95.6Very high9 Ų968.1 Ų68.16%0.05532%0.32CS..Hα-helixtrans-72.4-38.4178.6-57.90000112.2M413 L416 V420 Q465 K466 K467 R472 L473M413-T469 HydrophobicContact CE-CG2 3.71Å; M413-T469 WeakPolarHBondContact CE-OG1 3.41Å; L416-T469 HydrophobicContact CD2-CG2 4.22Å; L416-T469 HydrophobicContact CG-CG2 4.13Å; V420-T469 HydrophobicContact CB-CG2 4.37Å; V420-T469 HydrophobicContact CG2-CG2 3.96Å; Q465-T469 PolarHBondContact O-N 2.99Å; Q465-T469 VanDerWaalsContact O-N 3.14Å; Q465-T469 PolarHBondContact O-OG1 3.02Å; K466-T469 PolarHBondContact O-N 2.92Å; K466-T469 VanDerWaalsContact O-N 3.13Å; K467-T469 VanDerWaalsContact C-N 3.28Å; K467-T469 PolarHBondContact O-N 2.84Å; T469-R472 WeakPolarHBondContact O-CB 3.27Å; T469-R472 PolarHBondContact O-N 2.91Å; T469-L473 PolarHBondContact O-N 3.34Å
470V97.9Very high95.4Very high2 Ų265.2 Ų65.21%0.01231%0.306CS..Hα-helixtrans-65.1-42.9172.51760000110.8I450 K466 K467 R472 L473 L474 L514 L515 C518I450-V470 HydrophobicContact CD1-CG2 3.87Å; I450-V470 HydrophobicContact CG1-CG2 4.2Å; K466-V470 WeakPolarHBondContact O-CG2 3.16Å; K466-V470 PolarHBondContact O-N 3.48Å; K467-V470 PolarHBondContact O-N 3.13Å; V470-R472 VanDerWaalsContact C-N 3.33Å; V470-R472 PolarHBondContact O-N 3.43Å; V470-L473 WeakPolarHBondContact O-CB 3.49Å; V470-L473 PolarHBondContact O-N 2.91Å; V470-L473 VanDerWaalsContact O-N 3.15Å; V470-L474 HydrophobicContact CG1-CD1 4.05Å; V470-L474 HydrophobicContact CG1-CG 4.39Å; V470-L474 WeakPolarHBondContact O-CG 3.48Å; V470-L474 PolarHBondContact O-N 3.44Å; V470-L514 HydrophobicContact CG2-CD2 4.2Å; V470-L515 HydrophobicContact CG1-CD2 3.72Å; V470-C518 HydrophobicContact CB-CB 4.25Å; V470-C518 HydrophobicContact CG1-CB 3.74Å
471Y97.9Very high95.1Very high116 Ų11668 Ų6846%0.45530%0.303SS..Hα-helixtrans-58.4-43.2174.5174.5-99.6000112.2K467 H468 L473 L474 K475 C518K467-Y471 WeakPolarHBondContact O-CB 3.12Å; K467-Y471 PolarHBondContact O-N 3.16Å; H468-Y471 PolarHBondContact O-N 3.38Å; Y471-L473 VanDerWaalsContact C-N 3.3Å; Y471-L473 PolarHBondContact O-N 2.67Å; Y471-L474 PolarHBondContact O-N 3.13Å; Y471-K475 HydrophobicContact CE1-CD 4.2Å; Y471-K475 WeakPolarHBondContact O-CB 3.19Å; Y471-K475 PolarHBondContact O-N 3.4Å; Y471-C518 WeakPolarHBondContact CD2-O 3.42Å
472R97.6Very high94.8Very high85 Ų8565.6 Ų65.632%0.32130%0.295SS..Hα-helixtrans-56.6-43.5174.6-79.7174.358.1-165.74.8112.4V420 E424 H468 T469 V470V420-R472 HydrophobicContact CG1-CB 4.47Å; E424-R472 IonicContact OE1-CZ 3.98Å; E424-R472 IonicContact OE1-NE 2.94Å; E424-R472 PolarHBondContact OE1-NE 2.95Å; E424-R472 IonicContact OE1-NH2 3.32Å; E424-R472 PolarHBondContact OE1-NH2 2.87Å; E424-R472 IonicContact OE2-CZ 2.98Å; E424-R472 IonicContact OE2-NH2 2.69Å; E424-R472 PolarHBondContact OE2-NH2 3.45Å; H468-R472 WeakPolarHBondContact O-CG 3.42Å; H468-R472 PolarHBondContact O-N 3.31Å; T469-R472 WeakPolarHBondContact O-CB 3.27Å; T469-R472 PolarHBondContact O-N 2.91Å; V470-R472 VanDerWaalsContact C-N 3.33Å; V470-R472 PolarHBondContact O-N 3.43Å
473L97.2Very high94.5Very high1 Ų164 Ų641%0.00529%0.293CS..Hα-helixtrans-61.5-50.6174.6176.871.1000111.2V420 V423 L443 I446 T469 V470 Y471 K475 L476 P478 P486V420-L473 HydrophobicContact CG1-CB 4.06Å; V420-L473 HydrophobicContact CG2-CB 4.19Å; V423-L473 HydrophobicContact CB-CD1 4.18Å; V423-L473 HydrophobicContact CG1-CD1 4.02Å; V423-L473 HydrophobicContact CG2-CD1 4.18Å; L443-L473 HydrophobicContact CD2-CD1 4.14Å; I446-L473 HydrophobicContact CD1-CD1 4.18Å; I446-L473 HydrophobicContact CG2-CD2 3.72Å; T469-L473 PolarHBondContact O-N 3.34Å; V470-L473 WeakPolarHBondContact O-CB 3.49Å; V470-L473 PolarHBondContact O-N 2.91Å; V470-L473 VanDerWaalsContact O-N 3.15Å; Y471-L473 VanDerWaalsContact C-N 3.3Å; Y471-L473 PolarHBondContact O-N 2.67Å; L473-K475 VanDerWaalsContact C-N 3.31Å; L473-K475 PolarHBondContact O-N 2.77Å; L473-L476 WeakPolarHBondContact O-CB 3.34Å; L473-L476 PolarHBondContact O-N 3.48Å; L473-L476 VanDerWaalsContact O-N 3.15Å; L473-P478 HydrophobicContact CD1-CG 4.13Å; L473-P478 HydrophobicContact CG-CG 4.24Å; L473-P478 VanDerWaalsContact O-CD 3.28Å; L473-P478 WeakPolarHBondContact O-CD 3.13Å; L473-P486 HydrophobicContact CD2-CG 4.47Å
474L96.9Very high94.5Very high24 Ų2463.1 Ų63.113%0.12629%0.288CS..Hα-helixtrans-63.5-35.9-176.2-69.6175000112.6V470 Y471 L476 N477 P486 L515 C518 A520V470-L474 HydrophobicContact CG1-CD1 4.05Å; V470-L474 HydrophobicContact CG1-CG 4.39Å; V470-L474 WeakPolarHBondContact O-CG 3.48Å; V470-L474 PolarHBondContact O-N 3.44Å; Y471-L474 PolarHBondContact O-N 3.13Å; L474-L476 PolarHBondContact O-N 3.2Å; L474-L476 VanDerWaalsContact O-N 3.14Å; L474-N477 PolarHBondContact O-N 3.12Å; L474-P486 HydrophobicContact CD2-CB 4.24Å; L474-P486 HydrophobicContact CD2-CG 4.14Å; L474-L515 HydrophobicContact CD1-CD2 4.41Å; L474-L515 WeakPolarHBondContact CD1-O 3.26Å; L474-L515 HydrophobicContact CD2-CD2 4.24Å; L474-C518 HydrophobicContact CD1-CB 3.73Å; L474-A520 HydrophobicContact CD1-CB 3.99Å; L474-A520 HydrophobicContact CD2-CB 4.09Å
475K96Very high94.5Very high156 Ų15657.2 Ų57.268%0.67826%0.262SS*.Hα-helixtrans-59.6-23.9176.7-172.3176.3179.5179.30113.3Y471 L473 N477Y471-K475 HydrophobicContact CE1-CD 4.2Å; Y471-K475 WeakPolarHBondContact O-CB 3.19Å; Y471-K475 PolarHBondContact O-N 3.4Å; L473-K475 VanDerWaalsContact C-N 3.31Å; L473-K475 PolarHBondContact O-N 2.77Å; K475-N477 PolarHBondContact O-N 3.1Å
476L93.2Very high94.5Very high52 Ų5253.8 Ų53.827%0.27225%0.246SC..THydrogen-bonded Turntrans-75.7-9.2175.4-56.6171.6000113V423 E424 V427 L473 L474V423-L476 HydrophobicContact CB-CD1 4.4Å; V423-L476 HydrophobicContact CG1-CD1 3.88Å; E424-L476 HydrophobicContact CB-CD1 4.39Å; E424-L476 HydrophobicContact CG-CD1 3.66Å; E424-L476 HydrophobicContact CG-CD2 4.41Å; V427-L476 HydrophobicContact CG1-CD2 4.48Å; L473-L476 WeakPolarHBondContact O-CB 3.34Å; L473-L476 PolarHBondContact O-N 3.48Å; L473-L476 VanDerWaalsContact O-N 3.15Å; L474-L476 PolarHBondContact O-N 3.2Å; L474-L476 VanDerWaalsContact O-N 3.14Å
477N92.4Very high94.6Very high98 Ų9853.6 Ų53.652%0.52425%0.245SC..  trans47.452.8-171-167.419.1000112.9L474 K475 R479L474-N477 PolarHBondContact O-N 3.12Å; K475-N477 PolarHBondContact O-N 3.1Å; N477-R479 PolarHBondContact O-N 2.95Å
478P91.9Very high94.6Very high5 Ų550.4 Ų50.43%0.03223%0.231CC..  trans-69.9136.1-172.930.1-34.3000110.6V423 F439 L443 L473 P486V423-P478 HydrophobicContact CG1-CB 4.28Å; F439-P478 HydrophobicContact CE1-CB 3.74Å; F439-P478 HydrophobicContact CZ-CB 3.75Å; L443-P478 HydrophobicContact CD1-CB 4.2Å; L443-P478 HydrophobicContact CD2-CB 3.88Å; L443-P478 HydrophobicContact CD2-CG 4.12Å; L473-P478 HydrophobicContact CD1-CG 4.13Å; L473-P478 HydrophobicContact CG-CG 4.24Å; L473-P478 VanDerWaalsContact O-CD 3.28Å; L473-P478 WeakPolarHBondContact O-CD 3.13Å; P478-P486 HydrophobicContact CG-CG 3.76Å; P478-P486 WeakPolarHBondContact O-CD 3.17Å
479R91Very high94.6Very high100 Ų10046.1 Ų46.138%0.37721%0.211SC..  trans-122.1120.6178.3-69.3-175.2172.7-106.97.9111F439 N477 G483 F484 S524 R525F439-R479 WeakPolarHBondContact CD1-O 3.29Å; F439-R479 WeakPolarHBondContact CE1-O 3.48Å; N477-R479 PolarHBondContact O-N 2.95Å; R479-G483 PolarHBondContact NH1-O 2.69Å; R479-F484 CarbonylContact C-O 3.58Å; R479-F484 WeakPolarHBondContact CA-O 3.31Å; R479-S524 PolarHBondContact NH2-OG 2.92Å; R479-R525 PolarHBondContact NH1-O 3.49Å; R479-R525 PolarHBondContact NH2-O 3.07Å
480G89Confident94.6Very high9 Ų945.7 Ų45.79%0.09321%0.209CC..  trans-82.1-150.7176.100000112.5G483 F484G480-G483 PolarHBondContact O-N 3.43Å; G480-F484 PolarHBondContact N-O 3.02Å
481R89.1Confident94.5Very high159 Ų15945.6 Ų45.660%0.621%0.208SC*.G310 helixtrans-62144.7176.4-171.6178.2-178.6-176.60.8109.9N440 G483 F484N440-R481 HydrophobicContact CB-CB 4.19Å; N440-R481 WeakPolarHBondContact OD1-CB 3.45Å; N440-R481 PolarHBondContact OD1-N 3.35Å; R481-G483 PolarHBondContact O-N 2.75Å; R481-F484 WeakPolarHBondContact O-CB 3.32Å; R481-F484 PolarHBondContact O-N 3.39Å; R481-F484 VanDerWaalsContact O-N 3.07Å
482N88.1Confident94.4Very high85 Ų8540.8 Ų40.846%0.45519%0.191SC..G310 helixtrans57.219.7-178.6-56.8-15.2000114.1F484 D526 C527N482-F484 VanDerWaalsContact C-N 3.28Å; N482-F484 HydrophobicContact CB-CD1 3.95Å; N482-F484 HydrophobicContact CB-CE1 3.99Å; N482-F484 PolarHBondContact O-N 2.87Å; N482-D526 WeakPolarHBondContact O-CB 3.32Å; N482-C527 VanDerWaalsContact CA-SG 3.59Å; N482-C527 PolarHBondContact O-N 3.34Å; N482-C527 PolarHBondContact O-SG 3.06Å
483G90.7Very high94.1Very high19 Ų1942.5 Ų42.520%0.19620%0.2CC..G310 helixtrans76.511.7-177.500000114.6R479 G480 R481 T485R479-G483 PolarHBondContact NH1-O 2.69Å; G480-G483 PolarHBondContact O-N 3.43Å; R481-G483 PolarHBondContact O-N 2.75Å; G483-T485 PolarHBondContact O-N 2.86Å
484F94.4Very high93.8Very high31 Ų3149 Ų4914%0.13623%0.231CC..  trans-61.5128.1-179-82.828.9000111.6R479 G480 R481 N482 H488 M489 D492 D526 V535R479-F484 CarbonylContact C-O 3.58Å; R479-F484 WeakPolarHBondContact CA-O 3.31Å; G480-F484 PolarHBondContact N-O 3.02Å; R481-F484 WeakPolarHBondContact O-CB 3.32Å; R481-F484 PolarHBondContact O-N 3.39Å; R481-F484 VanDerWaalsContact O-N 3.07Å; N482-F484 VanDerWaalsContact C-N 3.28Å; N482-F484 HydrophobicContact CB-CD1 3.95Å; N482-F484 HydrophobicContact CB-CE1 3.99Å; N482-F484 PolarHBondContact O-N 2.87Å; F484-H488 HydrophobicContact CB-CB 3.84Å; F484-H488 HydrophobicContact CD1-CB 4.36Å; F484-H488 HydrophobicContact CD2-CB 3.76Å; F484-H488 HydrophobicContact CE2-CB 4.38Å; F484-H488 HydrophobicContact CG-CB 3.74Å; F484-M489 HydrophobicContact CB-CG 3.96Å; F484-M489 HydrophobicContact CD2-CG 4.18Å; F484-D492 HydrophobicContact CE2-CB 4.18Å; F484-D526 HydrophobicContact CD1-CB 3.83Å; F484-D526 HydrophobicContact CE1-CB 4.01Å; F484-D526 VanDerWaalsContact CE1-OD2 3.29Å; F484-D526 WeakPolarHBondContact CE1-OD2 3.43Å; F484-V535 HydrophobicContact CZ-CG2 4.27Å
485T96.1Very high93.6Very high10 Ų1048.2 Ų48.26%0.06123%0.227CC..  trans-79.2167.316870.10000110.6G483 L487 H488 M489 S524G483-T485 PolarHBondContact O-N 2.86Å; T485-L487 PolarHBondContact O-N 3.36Å; T485-L487 VanDerWaalsContact O-N 3.1Å; T485-L487 PolarHBondContact OG1-N 3.35Å; T485-H488 PolarHBondContact N-ND1 3.44Å; T485-H488 WeakPolarHBondContact O-CB 3.26Å; T485-H488 PolarHBondContact O-N 3.16Å; T485-H488 PolarHBondContact OG1-N 3.24Å; T485-H488 PolarHBondContact OG1-ND1 2.89Å; T485-M489 PolarHBondContact O-N 3.13Å; T485-S524 WeakPolarHBondContact CG2-OG 3.42Å
486P97.3Very high93.3Very high3 Ų342.7 Ų42.72%0.01921%0.206CC..Hα-helixtrans-53.4-31.1173.4-29.237.3000113.5L447 L473 L474 P478 A490 L515L447-P486 HydrophobicContact CD2-CB 4.22Å; L473-P486 HydrophobicContact CD2-CG 4.47Å; L474-P486 HydrophobicContact CD2-CB 4.24Å; L474-P486 HydrophobicContact CD2-CG 4.14Å; P478-P486 HydrophobicContact CG-CG 3.76Å; P478-P486 WeakPolarHBondContact O-CD 3.17Å; P486-A490 WeakPolarHBondContact O-CB 3.31Å; P486-A490 PolarHBondContact O-N 3.29Å; P486-L515 HydrophobicContact CB-CD1 4.23Å; P486-L515 HydrophobicContact CB-CD2 4.31Å; P486-L515 WeakPolarHBondContact O-CD1 3.25Å
487L97.9Very high93Very high0 Ų045.2 Ų45.20%023%0.228CC..Hα-helixtrans-71.5-41.9177-174.459.3000112.2T485 M489 A490 V491 A512 L515 L516 A520 P532 L548T485-L487 PolarHBondContact O-N 3.36Å; T485-L487 VanDerWaalsContact O-N 3.1Å; T485-L487 PolarHBondContact OG1-N 3.35Å; L487-M489 VanDerWaalsContact C-N 3.31Å; L487-M489 PolarHBondContact O-N 2.89Å; L487-A490 PolarHBondContact O-N 2.72Å; L487-V491 WeakPolarHBondContact O-CG2 3.33Å; L487-V491 PolarHBondContact O-N 3.14Å; L487-A512 HydrophobicContact CD1-CB 4.18Å; L487-L515 HydrophobicContact CD1-CB 4.37Å; L487-L515 HydrophobicContact CD1-CD1 4.42Å; L487-L516 HydrophobicContact CD1-CD2 4.41Å; L487-L516 HydrophobicContact CD1-CG 4.25Å; L487-L516 HydrophobicContact CD2-CD2 3.7Å; L487-L516 HydrophobicContact CD2-CG 4.41Å; L487-A520 HydrophobicContact CB-CB 4.24Å; L487-A520 HydrophobicContact CD2-CB 4.14Å; L487-P532 HydrophobicContact CB-CG 4.28Å; L487-P532 HydrophobicContact CD2-CB 4.18Å; L487-P532 HydrophobicContact CD2-CG 3.84Å; L487-P532 HydrophobicContact CG-CB 3.94Å; L487-P532 HydrophobicContact CG-CG 3.84Å; L487-L548 HydrophobicContact CD1-CD2 4.23Å; L487-L548 HydrophobicContact CD2-CD2 4.08Å; L487-L548 HydrophobicContact CG-CD2 4.36Å
488H97.6Very high92.7Very high0 Ų041.4 Ų41.40%021%0.208CC..Hα-helixtrans-57.4-47.2171.6-69.684.9000111F484 T485 A490 V491 D492 S524 N530 P532F484-H488 HydrophobicContact CB-CB 3.84Å; F484-H488 HydrophobicContact CD1-CB 4.36Å; F484-H488 HydrophobicContact CD2-CB 3.76Å; F484-H488 HydrophobicContact CE2-CB 4.38Å; F484-H488 HydrophobicContact CG-CB 3.74Å; T485-H488 PolarHBondContact N-ND1 3.44Å; T485-H488 WeakPolarHBondContact O-CB 3.26Å; T485-H488 PolarHBondContact O-N 3.16Å; T485-H488 PolarHBondContact OG1-N 3.24Å; T485-H488 PolarHBondContact OG1-ND1 2.89Å; H488-A490 VanDerWaalsContact C-N 3.35Å; H488-A490 PolarHBondContact O-N 3.49Å; H488-V491 CarbonylContact O-C 3.45Å; H488-V491 VanDerWaalsContact O-CG2 3.32Å; H488-V491 WeakPolarHBondContact O-CG2 3.31Å; H488-V491 PolarHBondContact O-N 2.92Å; H488-D492 WeakPolarHBondContact O-CB 3.38Å; H488-D492 PolarHBondContact O-N 3.3Å; H488-D492 VanDerWaalsContact O-N 3.16Å; H488-S524 PolarHBondContact CE1-O 3.47Å; H488-S524 PolarHBondContact NE2-O 2.78Å; H488-N530 PolarHBondContact NE2-O 3.39Å; H488-N530 VanDerWaalsContact NE2-O 3.09Å; H488-P532 WeakPolarHBondContact NE2-CD 3.42Å
489M96.9Very high92.2Very high4 Ų442.9 Ų42.92%0.0223%0.225CC..Hα-helixtrans-64-38.7179.4-64.5-178.675.500112L443 L447 F484 T485 L487 V491 D492 T495L443-M489 HydrophobicContact CB-CE 4.09Å; L443-M489 HydrophobicContact CB-SD 3.72Å; L443-M489 HydrophobicContact CD1-SD 4.04Å; L447-M489 HydrophobicContact CD1-CB 3.42Å; L447-M489 VanDerWaalsContact CD1-CB 3.42Å; L447-M489 HydrophobicContact CD1-SD 4.49Å; F484-M489 HydrophobicContact CB-CG 3.96Å; F484-M489 HydrophobicContact CD2-CG 4.18Å; T485-M489 PolarHBondContact O-N 3.13Å; L487-M489 VanDerWaalsContact C-N 3.31Å; L487-M489 PolarHBondContact O-N 2.89Å; M489-V491 PolarHBondContact O-N 2.75Å; M489-D492 PolarHBondContact O-N 3.18Å; M489-T495 WeakPolarHBondContact CA-OG1 3.41Å; M489-T495 HydrophobicContact CB-CG2 4.33Å; M489-T495 VanDerWaalsContact O-CB 3.22Å; M489-T495 WeakPolarHBondContact O-CB 3.24Å; M489-T495 PolarHBondContact O-OG1 3.01Å
490A97.4Very high91.7Very high0 Ų048.3 Ų48.30%025%0.245CC..Hα-helixtrans-64.1-23.8178.100000113.4P486 L487 H488 P507 S508 V511 A512 L515P486-A490 WeakPolarHBondContact O-CB 3.31Å; P486-A490 PolarHBondContact O-N 3.29Å; L487-A490 PolarHBondContact O-N 2.72Å; H488-A490 VanDerWaalsContact C-N 3.35Å; H488-A490 PolarHBondContact O-N 3.49Å; A490-P507 WeakPolarHBondContact O-CA 3.45Å; A490-S508 PolarHBondContact O-N 2.93Å; A490-V511 HydrophobicContact CB-CG1 4.03Å; A490-A512 HydrophobicContact CB-CB 4.49Å; A490-L515 HydrophobicContact CB-CD1 3.67Å
491V96.4Very high91.4Very high0 Ų054.4 Ų54.40%027%0.266CS..THydrogen-bonded Turntrans-105.68.2179-51.80000113.6L487 H488 M489 P507 A512 P532 V535 A536 N539 I544L487-V491 WeakPolarHBondContact O-CG2 3.33Å; L487-V491 PolarHBondContact O-N 3.14Å; H488-V491 CarbonylContact O-C 3.45Å; H488-V491 VanDerWaalsContact O-CG2 3.32Å; H488-V491 WeakPolarHBondContact O-CG2 3.31Å; H488-V491 PolarHBondContact O-N 2.92Å; M489-V491 PolarHBondContact O-N 2.75Å; V491-P507 VanDerWaalsContact O-CG 3.26Å; V491-P507 WeakPolarHBondContact O-CG 3.27Å; V491-A512 HydrophobicContact CG1-CB 4.12Å; V491-P532 HydrophobicContact CG2-CB 4.15Å; V491-P532 WeakPolarHBondContact CG2-O 3.49Å; V491-V535 HydrophobicContact CG2-CB 4.06Å; V491-V535 HydrophobicContact CG2-CG1 4.02Å; V491-A536 HydrophobicContact CB-CB 4.22Å; V491-A536 HydrophobicContact CG2-CB 4.36Å; V491-N539 PolarHBondContact O-ND2 3.34Å; V491-I544 HydrophobicContact CB-CG2 4.03Å; V491-I544 HydrophobicContact CG1-CG2 3.41Å; V491-I544 VanDerWaalsContact CG1-CG2 3.41Å
492D95.1Very high91.1Very high16 Ų1651.6 Ų51.69%0.08627%0.269CS..  trans-106.4139.1179.2-177.253000112.8F484 H488 M489 E494 T495 F506 V535 N539F484-D492 HydrophobicContact CE2-CB 4.18Å; H488-D492 WeakPolarHBondContact O-CB 3.38Å; H488-D492 PolarHBondContact O-N 3.3Å; H488-D492 VanDerWaalsContact O-N 3.16Å; M489-D492 PolarHBondContact O-N 3.18Å; D492-E494 WeakPolarHBondContact OD2-CA 3.44Å; D492-E494 WeakPolarHBondContact OD2-CB 3.46Å; D492-E494 PolarHBondContact OD2-N 3.13Å; D492-T495 WeakPolarHBondContact O-CB 3.32Å; D492-F506 VanDerWaalsContact O-CB 3.27Å; D492-F506 WeakPolarHBondContact O-CB 3.49Å; D492-V535 HydrophobicContact CB-CG1 3.78Å; D492-N539 PolarHBondContact OD1-ND2 3.38Å; D492-N539 VanDerWaalsContact OD1-ND2 3.09Å
493K92.5Very high91.3Very high120 Ų12047.8 Ų47.852%0.52225%0.248SC..SBendtrans-72.6-29.3-179.371.4-173.6163.6-1620113.1T495 T496 N539K493-T495 PolarHBondContact O-N 2.91Å; K493-T496 WeakPolarHBondContact O-CB 3.27Å; K493-T496 PolarHBondContact O-N 3.26Å; K493-T496 PolarHBondContact O-OG1 3.38Å; K493-N539 WeakPolarHBondContact CB-OD1 3.45Å; K493-N539 WeakPolarHBondContact CD-OD1 3.27Å; K493-N539 VanDerWaalsContact CE-OD1 3.29Å; K493-N539 WeakPolarHBondContact CE-OD1 3.19Å; K493-N539 WeakPolarHBondContact CG-OD1 3.09Å
494E90.4Very high91.2Very high138 Ų13847.2 Ų47.265%0.64524%0.243SC*.G310 helixtrans-67.7-26.1-177.9-51.9-168.8159.900111.2D492 T496 S497D492-E494 WeakPolarHBondContact OD2-CA 3.44Å; D492-E494 WeakPolarHBondContact OD2-CB 3.46Å; D492-E494 PolarHBondContact OD2-N 3.13Å; E494-T496 PolarHBondContact O-N 3.48Å; E494-T496 VanDerWaalsContact O-N 3.11Å; E494-S497 PolarHBondContact O-N 3.46Å; E494-S497 VanDerWaalsContact O-N 3.12Å
495T92.8Very high91.1Very high8 Ų855.4 Ų55.45%0.04927%0.273CS..G310 helixtrans-55.7-28.2174-56.90000112.9S444 L447 H448 M489 D492 K493 S497 F506S444-T495 PolarHBondContact OG-O 3.28Å; L447-T495 HydrophobicContact CD1-CG2 4.15Å; H448-T495 PolarHBondContact CE1-O 3.34Å; M489-T495 WeakPolarHBondContact CA-OG1 3.41Å; M489-T495 HydrophobicContact CB-CG2 4.33Å; M489-T495 VanDerWaalsContact O-CB 3.22Å; M489-T495 WeakPolarHBondContact O-CB 3.24Å; M489-T495 PolarHBondContact O-OG1 3.01Å; D492-T495 WeakPolarHBondContact O-CB 3.32Å; K493-T495 PolarHBondContact O-N 2.91Å; T495-S497 PolarHBondContact O-N 3.31Å; T495-F506 HydrophobicContact CG2-CB 4.41Å; T495-F506 HydrophobicContact CG2-CD1 4.15Å; T495-F506 HydrophobicContact CG2-CD2 3.82Å; T495-F506 HydrophobicContact CG2-CE1 4.4Å; T495-F506 HydrophobicContact CG2-CE2 4.1Å; T495-F506 HydrophobicContact CG2-CG 3.85Å; T495-F506 HydrophobicContact CG2-CZ 4.38Å
496T89.9Confident91.1Very high40 Ų4055.1 Ų55.125%0.24527%0.271CS..G310 helixtrans-56.9-31.3177.9-60.10000113.2K493 E494 V498 F506K493-T496 WeakPolarHBondContact O-CB 3.27Å; K493-T496 PolarHBondContact O-N 3.26Å; K493-T496 PolarHBondContact O-OG1 3.38Å; E494-T496 PolarHBondContact O-N 3.48Å; E494-T496 VanDerWaalsContact O-N 3.11Å; T496-V498 PolarHBondContact O-N 3.07Å; T496-F506 PolarHBondContact OG1-N 3.01Å; T496-F506 PolarHBondContact OG1-O 3.46Å
497S86.2Confident91Very high105 Ų10556.6 Ų56.673%0.73428%0.28SS*.  trans-94.379.4-171.8-59.70000111.8E494 T495E494-S497 PolarHBondContact O-N 3.46Å; E494-S497 VanDerWaalsContact O-N 3.12Å; T495-S497 PolarHBondContact O-N 3.31Å
498V85.7Confident90.9Very high17 Ų1757 Ų5710%0.10328%0.283CS..SBendtrans-101.5-22-17969.80000114.5L385 S444 I445 H448 T496L385-V498 HydrophobicContact CD1-CG1 3.8Å; L385-V498 HydrophobicContact CD1-CG2 4.21Å; S444-V498 WeakPolarHBondContact OG-CG2 3.48Å; I445-V498 HydrophobicContact CG1-CG2 3.53Å; H448-V498 WeakPolarHBondContact CE1-CG1 3.38Å; T496-V498 PolarHBondContact O-N 3.07Å
499G82.7Confident90.8Very high37 Ų3762 Ų6238%0.38131%0.306SS..SBendtrans-155.8-172.3-172.600000112.5
500R79.6Confident90.7Very high213 Ų21364 Ų6480%0.80432%0.324SS*.SBendtrans-72.2-36.1177.2-178.2-177.6-68-175.7-1.6111
501Y82.5Confident90.7Very high137 Ų13764 Ų6454%0.53732%0.324SS..SBendtrans-104.5138.5-177.3-58-76.6000110.7V503Y501-V503 PolarHBondContact O-N 3.49Å
502P83.9Confident90.8Very high100 Ų10064 Ų6465%0.64932%0.324SS*.  trans-69.2123.8179.128-33.4000110.5
503V91.4Very high90.9Very high5 Ų564.4 Ų64.43%0.0333%0.33CS..  trans-98-54.7177.2178.10000110.6A388 E389 S392 H448 L452 Y501A388-V503 HydrophobicContact CB-CG1 4.04Å; A388-V503 HydrophobicContact CB-CG2 4.32Å; E389-V503 HydrophobicContact CG-CG2 3.84Å; S392-V503 PolarHBondContact OG-O 3.32Å; H448-V503 HydrophobicContact CB-CB 4.37Å; H448-V503 HydrophobicContact CB-CG1 3.81Å; L452-V503 HydrophobicContact CD1-CG1 3.85Å; L452-V503 HydrophobicContact CD2-CG1 4.29Å; L452-V503 HydrophobicContact CG-CG1 4.11Å; Y501-V503 PolarHBondContact O-N 3.49Å
504G88.5Confident91.1Very high7 Ų758.9 Ų58.97%0.07231%0.306CS..  trans-143.5157.6-177.300000110.8H448 F451H448-G504 PolarHBondContact CD2-N 2.95Å; H448-G504 VanDerWaalsContact CD2-N 3.32Å; F451-G504 VanDerWaalsContact CD1-CA 3.44Å
505R92.7Very high91.5Very high203 Ų20352.3 Ų52.377%0.76628%0.275SS*.  trans-106.1125.7-179.3-173.3178.4179.8-176.1-1.2109.1
506F94.9Very high91.7Very high5 Ų553.3 Ų53.32%0.02228%0.28CS..SBendtrans-116.3148.5173-64.5-90.6000109.6L447 H448 F451 D492 T495 T496 V511L447-F506 HydrophobicContact CB-CE1 4.12Å; L447-F506 HydrophobicContact CB-CZ 3.81Å; H448-F506 AromaticContact CD2-CE2 3.7Å; H448-F506 AromaticContact CE1-CE2 3.66Å; H448-F506 AromaticContact CG-CE2 3.96Å; H448-F506 AromaticContact ND1-CE2 3.91Å; H448-F506 AromaticContact NE2-CD2 3.96Å; H448-F506 AromaticContact NE2-CE2 3.54Å; F451-F506 HydrophobicContact CB-CZ 4.3Å; D492-F506 VanDerWaalsContact O-CB 3.27Å; D492-F506 WeakPolarHBondContact O-CB 3.49Å; T495-F506 HydrophobicContact CG2-CB 4.41Å; T495-F506 HydrophobicContact CG2-CD1 4.15Å; T495-F506 HydrophobicContact CG2-CD2 3.82Å; T495-F506 HydrophobicContact CG2-CE1 4.4Å; T495-F506 HydrophobicContact CG2-CE2 4.1Å; T495-F506 HydrophobicContact CG2-CG 3.85Å; T495-F506 HydrophobicContact CG2-CZ 4.38Å; T496-F506 PolarHBondContact OG1-N 3.01Å; T496-F506 PolarHBondContact OG1-O 3.46Å; F506-V511 HydrophobicContact CE1-CB 4.33Å; F506-V511 HydrophobicContact CE1-CG1 4.28Å; F506-V511 HydrophobicContact CE1-CG2 4.21Å
507P95.8Very high92.1Very high33 Ų3357.3 Ų57.321%0.21430%0.296CS..SBendcis-61.2141.60.7-2840.8000114A490 V491 N539 I544A490-P507 WeakPolarHBondContact O-CA 3.45Å; V491-P507 VanDerWaalsContact O-CG 3.26Å; V491-P507 WeakPolarHBondContact O-CG 3.27Å; P507-N539 HydrophobicContact CG-CB 4.1Å; P507-I544 HydrophobicContact CB-CD1 3.33Å
508S95.8Very high92.6Very high10 Ų1052.9 Ų52.97%0.0726%0.264CS..  trans-123.3110.2-176.9-175.50000111.8A490 A510 V511 A512A490-S508 PolarHBondContact O-N 2.93Å; S508-A510 VanDerWaalsContact C-N 3.35Å; S508-A510 PolarHBondContact O-N 3.34Å; S508-V511 PolarHBondContact O-N 3.36Å; S508-V511 WeakPolarHBondContact OG-CG2 3.33Å; S508-A512 WeakPolarHBondContact O-CB 3.31Å; S508-A512 PolarHBondContact O-N 3.42Å
509Q95.5Very high93Very high103 Ų10354.9 Ų54.948%0.48129%0.289SS..Hα-helixtrans-61.8-40.2178.9-172-178.6-14.100112.5A512 A513 I544 L547Q509-A512 PolarHBondContact O-N 3.05Å; Q509-A513 VanDerWaalsContact O-CB 3.32Å; Q509-A513 WeakPolarHBondContact O-CB 3.49Å; Q509-A513 PolarHBondContact O-N 2.96Å; Q509-I544 HydrophobicContact CB-CG1 4.01Å; Q509-I544 HydrophobicContact CG-CG1 4.43Å; Q509-L547 HydrophobicContact CG-CD2 3.89Å
510A95.8Very high93.7Very high47 Ų4753.9 Ų53.939%0.38828%0.277SS..Hα-helixtrans-64.4-45.7-18000000111.8E454 S508 A513 L514E454-A510 HydrophobicContact CG-CB 4.38Å; S508-A510 VanDerWaalsContact C-N 3.35Å; S508-A510 PolarHBondContact O-N 3.34Å; A510-A513 PolarHBondContact O-N 2.95Å; A510-L514 PolarHBondContact O-N 2.9Å
511V97.4Very high94.4Very high0 Ų048.3 Ų48.30%026%0.263CS..Hα-helixtrans-65.9-44.4177.2179.70000110.6L447 I450 F451 A490 F506 S508 A513 L514 L515L447-V511 HydrophobicContact CD2-CG1 3.96Å; I450-V511 HydrophobicContact CG2-CG1 4.12Å; I450-V511 HydrophobicContact CG2-CG2 4.34Å; F451-V511 HydrophobicContact CB-CG2 3.8Å; F451-V511 HydrophobicContact CD2-CG2 4.1Å; F451-V511 HydrophobicContact CG-CG2 4.47Å; A490-V511 HydrophobicContact CB-CG1 4.03Å; F506-V511 HydrophobicContact CE1-CB 4.33Å; F506-V511 HydrophobicContact CE1-CG1 4.28Å; F506-V511 HydrophobicContact CE1-CG2 4.21Å; S508-V511 PolarHBondContact O-N 3.36Å; S508-V511 WeakPolarHBondContact OG-CG2 3.33Å; V511-A513 VanDerWaalsContact C-N 3.33Å; V511-A513 PolarHBondContact O-N 3.46Å; V511-L514 PolarHBondContact O-N 3.36Å; V511-L515 HydrophobicContact CG1-CD1 4.12Å; V511-L515 HydrophobicContact CG1-CG 4.34Å; V511-L515 VanDerWaalsContact O-CG 3.28Å; V511-L515 WeakPolarHBondContact O-CG 3.28Å; V511-L515 PolarHBondContact O-N 3.13Å
512A97.6Very high95Very high0 Ų042.6 Ų42.60%024%0.242CC..Hα-helixtrans-59-44.1176.700000111.9L487 A490 V491 S508 Q509 L515 L516 L547L487-A512 HydrophobicContact CD1-CB 4.18Å; A490-A512 HydrophobicContact CB-CB 4.49Å; V491-A512 HydrophobicContact CG1-CB 4.12Å; S508-A512 WeakPolarHBondContact O-CB 3.31Å; S508-A512 PolarHBondContact O-N 3.42Å; Q509-A512 PolarHBondContact O-N 3.05Å; A512-L515 PolarHBondContact O-N 3.41Å; A512-L516 VanDerWaalsContact O-CG 3.27Å; A512-L516 WeakPolarHBondContact O-CG 3.49Å; A512-L516 PolarHBondContact O-N 3.34Å; A512-L547 HydrophobicContact CB-CD2 4.1Å
513A97.4Very high95.4Very high25 Ų2538.9 Ų38.921%0.20722%0.217CC..Hα-helixtrans-60.5-47.2176.700000111.8Q509 A510 V511 L515 L516 E517 L547Q509-A513 VanDerWaalsContact O-CB 3.32Å; Q509-A513 WeakPolarHBondContact O-CB 3.49Å; Q509-A513 PolarHBondContact O-N 2.96Å; A510-A513 PolarHBondContact O-N 2.95Å; V511-A513 VanDerWaalsContact C-N 3.33Å; V511-A513 PolarHBondContact O-N 3.46Å; A513-L515 VanDerWaalsContact C-N 3.35Å; A513-L515 PolarHBondContact O-N 3.25Å; A513-L516 PolarHBondContact O-N 2.73Å; A513-E517 WeakPolarHBondContact O-CG 3.43Å; A513-E517 PolarHBondContact O-N 3.33Å; A513-L547 HydrophobicContact CB-CD1 4.3Å; A513-L547 HydrophobicContact CB-CD2 3.9Å
514L97.5Very high95.5Very high4 Ų439 Ų392%0.02122%0.218CC..Hα-helixtrans-61.8-41.5177.9-178.967.2000112.3I450 K466 K467 V470 A510 V511 L516 E517 C518I450-L514 HydrophobicContact CG2-CD2 3.56Å; K466-L514 HydrophobicContact CD-CD2 4.18Å; K466-L514 HydrophobicContact CG-CD2 4.38Å; K467-L514 HydrophobicContact CG-CD1 3.82Å; V470-L514 HydrophobicContact CG2-CD2 4.2Å; A510-L514 PolarHBondContact O-N 2.9Å; V511-L514 PolarHBondContact O-N 3.36Å; L514-L516 VanDerWaalsContact C-N 3.35Å; L514-E517 PolarHBondContact O-N 3.22Å; L514-C518 WeakPolarHBondContact O-CB 3.22Å; L514-C518 PolarHBondContact O-N 2.69Å; L514-C518 PolarHBondContact O-SG 2.67Å
515L98.1Very high95.7Very high0 Ų041.1 Ų41.10%022%0.224CC..Hα-helixtrans-61.8-43.5177-68.9174000111.3L447 V470 L474 P486 L487 A490 V511 A512 A513 C518 G519 A520L447-L515 HydrophobicContact CD2-CD1 4Å; L447-L515 HydrophobicContact CD2-CD2 4.44Å; V470-L515 HydrophobicContact CG1-CD2 3.72Å; L474-L515 HydrophobicContact CD1-CD2 4.41Å; L474-L515 WeakPolarHBondContact CD1-O 3.26Å; L474-L515 HydrophobicContact CD2-CD2 4.24Å; P486-L515 HydrophobicContact CB-CD1 4.23Å; P486-L515 HydrophobicContact CB-CD2 4.31Å; P486-L515 WeakPolarHBondContact O-CD1 3.25Å; L487-L515 HydrophobicContact CD1-CB 4.37Å; L487-L515 HydrophobicContact CD1-CD1 4.42Å; A490-L515 HydrophobicContact CB-CD1 3.67Å; V511-L515 HydrophobicContact CG1-CD1 4.12Å; V511-L515 HydrophobicContact CG1-CG 4.34Å; V511-L515 VanDerWaalsContact O-CG 3.28Å; V511-L515 WeakPolarHBondContact O-CG 3.28Å; V511-L515 PolarHBondContact O-N 3.13Å; A512-L515 PolarHBondContact O-N 3.41Å; A513-L515 VanDerWaalsContact C-N 3.35Å; A513-L515 PolarHBondContact O-N 3.25Å; L515-C518 CarbonylContact O-C 3.27Å; L515-C518 PolarHBondContact O-N 3.49Å; L515-G519 PolarHBondContact O-N 3.33Å; L515-A520 HydrophobicContact CB-CB 4.04Å; L515-A520 VanDerWaalsContact O-CB 3.23Å; L515-A520 WeakPolarHBondContact O-CB 3.31Å; L515-A520 PolarHBondContact O-N 3.22Å
516L97.8Very high95.7Very high28 Ų2831.9 Ų31.915%0.14719%0.19CC..Hα-helixtrans-63.6-45.2176.3-68.9164.8000111.6L487 A512 A513 L514 C518 G519 V522 L547 L548 A551L487-L516 HydrophobicContact CD1-CD2 4.41Å; L487-L516 HydrophobicContact CD1-CG 4.25Å; L487-L516 HydrophobicContact CD2-CD2 3.7Å; L487-L516 HydrophobicContact CD2-CG 4.41Å; A512-L516 VanDerWaalsContact O-CG 3.27Å; A512-L516 WeakPolarHBondContact O-CG 3.49Å; A512-L516 PolarHBondContact O-N 3.34Å; A513-L516 PolarHBondContact O-N 2.73Å; L514-L516 VanDerWaalsContact C-N 3.35Å; L516-C518 PolarHBondContact O-N 2.81Å; L516-G519 PolarHBondContact O-N 2.85Å; L516-V522 HydrophobicContact CD2-CB 4Å; L516-V522 HydrophobicContact CD2-CG2 3.96Å; L516-L547 HydrophobicContact CD1-CD2 4.28Å; L516-L547 HydrophobicContact CD1-CG 4.04Å; L516-L548 HydrophobicContact CD1-CD2 4.21Å; L516-L548 HydrophobicContact CD2-CD2 4.45Å; L516-A551 HydrophobicContact CD1-CB 3.78Å; L516-A551 HydrophobicContact CD2-CB 3.95Å; L516-A551 HydrophobicContact CG-CB 4.29Å
517E96.3Very high95.6Very high125 Ų12535.9 Ų35.958%0.58422%0.217SC*.Hα-helixtrans-59.6-28.9174.3-73.6-178.2-166.300112.8K467 A513 L514 G519K467-E517 WeakPolarHBondContact CE-OE2 3.49Å; K467-E517 IonicContact NZ-OE2 3.6Å; K467-E517 PolarHBondContact NZ-OE2 2.98Å; A513-E517 WeakPolarHBondContact O-CG 3.43Å; A513-E517 PolarHBondContact O-N 3.33Å; L514-E517 PolarHBondContact O-N 3.22Å; E517-G519 VanDerWaalsContact C-N 3.32Å
518C97.2Very high95.4Very high11 Ų1139.1 Ų39.17%0.07423%0.229CC..THydrogen-bonded Turntrans-88.57.3176.3-62.40000113.4V470 Y471 L474 L514 L515 L516V470-C518 HydrophobicContact CB-CB 4.25Å; V470-C518 HydrophobicContact CG1-CB 3.74Å; Y471-C518 WeakPolarHBondContact CD2-O 3.42Å; L474-C518 HydrophobicContact CD1-CB 3.73Å; L514-C518 WeakPolarHBondContact O-CB 3.22Å; L514-C518 PolarHBondContact O-N 2.69Å; L514-C518 PolarHBondContact O-SG 2.67Å; L515-C518 CarbonylContact O-C 3.27Å; L515-C518 PolarHBondContact O-N 3.49Å; L516-C518 PolarHBondContact O-N 2.81Å
519G94.8Very high95.2Very high60 Ų6041.6 Ų41.662%0.61924%0.242SC*.THydrogen-bonded Turntrans87.628.9174.300000115.1L515 L516 E517 D521L515-G519 PolarHBondContact O-N 3.33Å; L516-G519 PolarHBondContact O-N 2.85Å; E517-G519 VanDerWaalsContact C-N 3.32Å; G519-D521 PolarHBondContact O-N 2.8Å
520A96.6Very high95.1Very high15 Ų1537.6 Ų37.612%0.12422%0.224CC..  trans-64.5132.3168.800000110.5L474 L487 L515 V522L474-A520 HydrophobicContact CD1-CB 3.99Å; L474-A520 HydrophobicContact CD2-CB 4.09Å; L487-A520 HydrophobicContact CB-CB 4.24Å; L487-A520 HydrophobicContact CD2-CB 4.14Å; L515-A520 HydrophobicContact CB-CB 4.04Å; L515-A520 VanDerWaalsContact O-CB 3.23Å; L515-A520 WeakPolarHBondContact O-CB 3.31Å; L515-A520 PolarHBondContact O-N 3.22Å; A520-V522 PolarHBondContact O-N 3.46Å
521D94.7Very high95.1Very high96 Ų9635.3 Ų35.351%0.51321%0.205SC..  trans-66.5114.7174.6175.313.3000110.3G519 D523 S524G519-D521 PolarHBondContact O-N 2.8Å; D521-D523 VanDerWaalsContact C-N 3.33Å; D521-D523 PolarHBondContact OD1-N 3Å; D521-D523 VanDerWaalsContact OD1-N 3.12Å; D521-S524 PolarHBondContact OD1-N 3.5Å; D521-S524 WeakPolarHBondContact OD2-CA 3.44Å; D521-S524 WeakPolarHBondContact OD2-CB 3.19Å; D521-S524 PolarHBondContact OD2-N 3.19Å
522V94.8Very high95.1Very high17 Ų1735.3 Ų35.310%0.10321%0.205CC..THydrogen-bonded Turntrans-73.3-24.5-173.470.30000112.8L516 A520 P532 L548 A551 A553L516-V522 HydrophobicContact CD2-CB 4Å; L516-V522 HydrophobicContact CD2-CG2 3.96Å; A520-V522 PolarHBondContact O-N 3.46Å; V522-P532 WeakPolarHBondContact O-CD 3.39Å; V522-L548 HydrophobicContact CG2-CB 4.28Å; V522-L548 HydrophobicContact CG2-CD2 3.87Å; V522-A551 HydrophobicContact CG2-CB 4.44Å; V522-A553 HydrophobicContact CG2-CB 3.64Å
523D93.1Very high95Very high23 Ų2335.4 Ų35.412%0.12321%0.205CC..THydrogen-bonded Turntrans-112.515.6-178.4-70.1-53.4000112.8D521 R525 H554 L616D521-D523 VanDerWaalsContact C-N 3.33Å; D521-D523 PolarHBondContact OD1-N 3Å; D521-D523 VanDerWaalsContact OD1-N 3.12Å; D523-R525 PolarHBondContact O-N 2.9Å; D523-H554 PolarHBondContact OD1-N 3.14Å; D523-H554 IonicContact OD2-CD2 3.4Å; D523-H554 PolarHBondContact OD2-CD2 3.27Å; D523-H554 IonicContact OD2-CG 3.19Å; D523-H554 PolarHBondContact OD2-N 3.41Å; D523-L616 HydrophobicContact CB-CD1 4.44Å; D523-L616 HydrophobicContact CB-CD2 4.25Å
524S93.8Very high94.8Very high7 Ų734.3 Ų34.35%0.04920%0.196CC..  trans-54.4142.1174.1-157.30000110.8R479 T485 H488 D521 T531 P532R479-S524 PolarHBondContact NH2-OG 2.92Å; T485-S524 WeakPolarHBondContact CG2-OG 3.42Å; H488-S524 PolarHBondContact CE1-O 3.47Å; H488-S524 PolarHBondContact NE2-O 2.78Å; D521-S524 PolarHBondContact OD1-N 3.5Å; D521-S524 WeakPolarHBondContact OD2-CA 3.44Å; D521-S524 WeakPolarHBondContact OD2-CB 3.19Å; D521-S524 PolarHBondContact OD2-N 3.19Å; S524-T531 WeakPolarHBondContact O-CA 3.23Å; S524-P532 WeakPolarHBondContact O-CD 3.41Å
525R92.8Very high94.7Very high52 Ų5234.6 Ų34.620%0.19620%0.198CC..  trans-108.3135.5-175-61.4-18089.4164.910.8112.1R479 D523 N529 N530 T531 T558 E615R479-R525 PolarHBondContact NH1-O 3.49Å; R479-R525 PolarHBondContact NH2-O 3.07Å; D523-R525 PolarHBondContact O-N 2.9Å; R525-N529 VanDerWaalsContact CZ-CG 3.47Å; R525-N529 PolarHBondContact NE-O 3.47Å; R525-N529 PolarHBondContact NE-OD1 2.91Å; R525-N529 PolarHBondContact NH2-ND2 3.19Å; R525-N530 WeakPolarHBondContact CA-O 3.3Å; R525-T531 HydrophobicContact CG-CG2 4.39Å; R525-T558 PolarHBondContact NH2-O 3.24Å; R525-E615 PolarHBondContact NH1-O 2.88Å
526D93.1Very high94.5Very high9 Ų934.6 Ų34.65%0.04820%0.198CC..  trans-77.6-172.2169.480.6-1.8000112N482 F484 E528 N529 N530N482-D526 WeakPolarHBondContact O-CB 3.32Å; F484-D526 HydrophobicContact CD1-CB 3.83Å; F484-D526 HydrophobicContact CE1-CB 4.01Å; F484-D526 VanDerWaalsContact CE1-OD2 3.29Å; F484-D526 WeakPolarHBondContact CE1-OD2 3.43Å; D526-E528 VanDerWaalsContact C-N 3.25Å; D526-E528 PolarHBondContact O-N 2.99Å; D526-E528 WeakPolarHBondContact OD1-CA 3.46Å; D526-E528 PolarHBondContact OD1-N 2.89Å; D526-N529 PolarHBondContact O-N 3.21Å; D526-N529 PolarHBondContact OD1-N 3Å; D526-N530 PolarHBondContact N-O 3.44Å; D526-N530 PolarHBondContact OD1-N 2.82Å; D526-N530 WeakPolarHBondContact OD2-CB 3.41Å; D526-N530 PolarHBondContact OD2-ND2 2.93Å; D526-N530 VanDerWaalsContact OD2-ND2 3.12Å
527C92Very high94.2Very high88 Ų8833.3 Ų33.360%0.59519%0.191SC*.THydrogen-bonded Turntrans-70-17.5179.765.90000114.8N482N482-C527 VanDerWaalsContact CA-SG 3.59Å; N482-C527 PolarHBondContact O-N 3.34Å; N482-C527 PolarHBondContact O-SG 3.06Å
528E91.4Very high94Very high101 Ų10132.5 Ų32.547%0.47219%0.191SC..THydrogen-bonded Turntrans-102.416.8174.6-63.5-167.7130.300111.6D526 N530 A560D526-E528 VanDerWaalsContact C-N 3.25Å; D526-E528 PolarHBondContact O-N 2.99Å; D526-E528 WeakPolarHBondContact OD1-CA 3.46Å; D526-E528 PolarHBondContact OD1-N 2.89Å; E528-N530 PolarHBondContact O-N 2.98Å; E528-N530 VanDerWaalsContact O-N 3.16Å; E528-A560 WeakPolarHBondContact O-CB 3.48Å; E528-A560 PolarHBondContact O-N 3.29Å
529N91.8Very high93.6Very high62 Ų6233.2 Ų33.233%0.33219%0.194SC..  trans60.515-177.4-79.6-10.1000115R525 D526 A560R525-N529 VanDerWaalsContact CZ-CG 3.47Å; R525-N529 PolarHBondContact NE-O 3.47Å; R525-N529 PolarHBondContact NE-OD1 2.91Å; R525-N529 PolarHBondContact NH2-ND2 3.19Å; D526-N529 PolarHBondContact O-N 3.21Å; D526-N529 PolarHBondContact OD1-N 3Å; N529-A560 HydrophobicContact CB-CB 4.34Å
530N93.7Very high93.3Very high19 Ų1931.9 Ų31.910%0.10218%0.181CC..  trans-70.6137.9171.3-58.2-60.1000109.4H488 R525 D526 E528 H534 V535 N559H488-N530 PolarHBondContact NE2-O 3.39Å; H488-N530 VanDerWaalsContact NE2-O 3.09Å; R525-N530 WeakPolarHBondContact CA-O 3.3Å; D526-N530 PolarHBondContact N-O 3.44Å; D526-N530 PolarHBondContact OD1-N 2.82Å; D526-N530 WeakPolarHBondContact OD2-CB 3.41Å; D526-N530 PolarHBondContact OD2-ND2 2.93Å; D526-N530 VanDerWaalsContact OD2-ND2 3.12Å; E528-N530 PolarHBondContact O-N 2.98Å; E528-N530 VanDerWaalsContact O-N 3.16Å; N530-H534 HydrophobicContact CB-CB 3.86Å; N530-V535 HydrophobicContact CB-CG2 4.36Å; N530-N559 WeakPolarHBondContact OD1-CB 3.4Å; N530-N559 PolarHBondContact OD1-ND2 3.18Å; N530-N559 VanDerWaalsContact OD1-ND2 3.08Å
531T95.9Very high92.9Very high0 Ų032.3 Ų32.30%018%0.182CC..  trans-90.4167.5166.371.40000110.2S524 R525 L533 H534 V535 A557 L616S524-T531 WeakPolarHBondContact O-CA 3.23Å; R525-T531 HydrophobicContact CG-CG2 4.39Å; T531-L533 PolarHBondContact O-N 2.9Å; T531-L533 VanDerWaalsContact O-N 3.08Å; T531-L533 PolarHBondContact OG1-N 3.08Å; T531-H534 PolarHBondContact N-ND1 3.35Å; T531-H534 VanDerWaalsContact N-ND1 3.12Å; T531-H534 WeakPolarHBondContact O-CB 3.29Å; T531-H534 PolarHBondContact O-N 3.39Å; T531-H534 PolarHBondContact OG1-ND1 2.69Å; T531-V535 PolarHBondContact O-N 3.33Å; T531-A557 HydrophobicContact CG2-CB 4.23Å; T531-L616 HydrophobicContact CG2-CD1 4.26Å
532P96.6Very high92.5Very high0 Ų028.9 Ų28.90%017%0.165CC..Hα-helixtrans-52.6-30.8171.4-27.435.1000113.2L487 H488 V491 V522 S524 V535 A536 L548L487-P532 HydrophobicContact CB-CG 4.28Å; L487-P532 HydrophobicContact CD2-CB 4.18Å; L487-P532 HydrophobicContact CD2-CG 3.84Å; L487-P532 HydrophobicContact CG-CB 3.94Å; L487-P532 HydrophobicContact CG-CG 3.84Å; H488-P532 WeakPolarHBondContact NE2-CD 3.42Å; V491-P532 HydrophobicContact CG2-CB 4.15Å; V491-P532 WeakPolarHBondContact CG2-O 3.49Å; V522-P532 WeakPolarHBondContact O-CD 3.39Å; S524-P532 WeakPolarHBondContact O-CD 3.41Å; P532-V535 PolarHBondContact O-N 3.41Å; P532-A536 WeakPolarHBondContact O-CB 3.34Å; P532-A536 PolarHBondContact O-N 2.77Å; P532-L548 HydrophobicContact CB-CD1 4.15Å; P532-L548 HydrophobicContact CB-CD2 4.16Å
533L95Very high92.2Very high1 Ų133.8 Ų33.81%0.00519%0.187CC..Hα-helixtrans-65.2-40176.3-170.965.4000112.2T531 A536 A537 M545 L548 V549 A553 F555 A565T531-L533 PolarHBondContact O-N 2.9Å; T531-L533 VanDerWaalsContact O-N 3.08Å; T531-L533 PolarHBondContact OG1-N 3.08Å; L533-A536 PolarHBondContact O-N 2.85Å; L533-A537 WeakPolarHBondContact O-CB 3.4Å; L533-A537 PolarHBondContact O-N 3.06Å; L533-M545 HydrophobicContact CD1-CB 3.82Å; L533-M545 HydrophobicContact CD1-CE 4.12Å; L533-M545 HydrophobicContact CD1-CG 3.96Å; L533-L548 HydrophobicContact CB-CD1 4.37Å; L533-L548 HydrophobicContact CD1-CB 4.15Å; L533-L548 HydrophobicContact CD1-CD1 4.21Å; L533-V549 HydrophobicContact CD1-CG2 4.08Å; L533-V549 HydrophobicContact CD2-CG2 4.36Å; L533-A553 HydrophobicContact CD2-CB 4.25Å; L533-F555 HydrophobicContact CD2-CD2 4.03Å; L533-A565 HydrophobicContact CB-CB 4.31Å; L533-A565 HydrophobicContact CD2-CB 3.93Å; L533-A565 HydrophobicContact CG-CB 3.63Å
534H94.8Very high92.2Very high2 Ų233.1 Ų33.11%0.00918%0.183CC..Hα-helixtrans-64.9-43.7175.3-65.585.9000111.4N530 T531 A537 N538 A557 K563 L568N530-H534 HydrophobicContact CB-CB 3.86Å; T531-H534 PolarHBondContact N-ND1 3.35Å; T531-H534 VanDerWaalsContact N-ND1 3.12Å; T531-H534 WeakPolarHBondContact O-CB 3.29Å; T531-H534 PolarHBondContact O-N 3.39Å; T531-H534 PolarHBondContact OG1-ND1 2.69Å; H534-A537 PolarHBondContact O-N 3.06Å; H534-N538 PolarHBondContact O-N 2.94Å; H534-A557 PolarHBondContact CE1-O 3.46Å; H534-A557 VanDerWaalsContact CE1-O 3.28Å; H534-A557 PolarHBondContact NE2-O 3.22Å; H534-A557 VanDerWaalsContact NE2-O 3.14Å; H534-K563 PolarHBondContact NE2-O 3.02Å; H534-K563 VanDerWaalsContact NE2-O 3.16Å; H534-L568 HydrophobicContact CB-CD1 3.99Å
535V94.5Very high92.2Very high10 Ų1032.8 Ų32.86%0.06118%0.181CC..Hα-helixtrans-65-41.2178.21790000111.2F484 V491 D492 N530 T531 P532 N538 N539F484-V535 HydrophobicContact CZ-CG2 4.27Å; V491-V535 HydrophobicContact CG2-CB 4.06Å; V491-V535 HydrophobicContact CG2-CG1 4.02Å; D492-V535 HydrophobicContact CB-CG1 3.78Å; N530-V535 HydrophobicContact CB-CG2 4.36Å; T531-V535 PolarHBondContact O-N 3.33Å; P532-V535 PolarHBondContact O-N 3.41Å; V535-N538 PolarHBondContact O-N 2.98Å; V535-N539 WeakPolarHBondContact O-CB 3.47Å; V535-N539 PolarHBondContact O-N 2.8Å; V535-N539 VanDerWaalsContact O-N 3.13Å; V535-N539 PolarHBondContact O-ND2 3Å
536A93.6Very high92Very high0 Ų032.4 Ų32.40%019%0.189CC..Hα-helixtrans-63.9-39.1175.300000112.4V491 P532 L533 N539 G540 C541 I544 M545 L548V491-A536 HydrophobicContact CB-CB 4.22Å; V491-A536 HydrophobicContact CG2-CB 4.36Å; P532-A536 WeakPolarHBondContact O-CB 3.34Å; P532-A536 PolarHBondContact O-N 2.77Å; L533-A536 PolarHBondContact O-N 2.85Å; A536-N539 PolarHBondContact O-N 2.94Å; A536-G540 PolarHBondContact O-N 3.22Å; A536-C541 PolarHBondContact O-N 3Å; A536-C541 VanDerWaalsContact O-N 3.12Å; A536-I544 HydrophobicContact CB-CG2 4.07Å; A536-M545 HydrophobicContact CB-CG 3.82Å; A536-L548 HydrophobicContact CB-CD1 4.07Å
537A91.7Very high92.1Very high1 Ų133.7 Ų33.71%0.00820%0.196CC..Hα-helixtrans-64.5-47.4175.900000112.3L533 H534 N539 G540 M545 A565 L568 L569L533-A537 WeakPolarHBondContact O-CB 3.4Å; L533-A537 PolarHBondContact O-N 3.06Å; H534-A537 PolarHBondContact O-N 3.06Å; A537-N539 PolarHBondContact O-N 3.5Å; A537-G540 WeakPolarHBondContact O-CA 3.4Å; A537-G540 PolarHBondContact O-N 3.09Å; A537-M545 HydrophobicContact CB-CE 3.81Å; A537-M545 HydrophobicContact CB-SD 3.83Å; A537-A565 HydrophobicContact CB-CB 4.13Å; A537-A565 WeakPolarHBondContact CB-O 3.23Å; A537-L568 HydrophobicContact CB-CB 4.25Å; A537-L569 HydrophobicContact CB-CD2 4.17Å; A537-L569 HydrophobicContact CB-CG 4.14Å
538N91.4Very high92.2Very high109 Ų10929.5 Ų29.558%0.58317%0.167SC*.Hα-helixtrans-64.1-24.8178.3-169.454.2000113H534 V535H534-N538 PolarHBondContact O-N 2.94Å; V535-N538 PolarHBondContact O-N 2.98Å
539N89.9Confident92.2Very high26 Ų2625.4 Ų25.414%0.13915%0.149CC..THydrogen-bonded Turntrans-89.5-0.2172.9-75.3-59.5000113.7V491 D492 K493 P507 V535 A536 A537V491-N539 PolarHBondContact O-ND2 3.34Å; D492-N539 PolarHBondContact OD1-ND2 3.38Å; D492-N539 VanDerWaalsContact OD1-ND2 3.09Å; K493-N539 WeakPolarHBondContact CB-OD1 3.45Å; K493-N539 WeakPolarHBondContact CD-OD1 3.27Å; K493-N539 VanDerWaalsContact CE-OD1 3.29Å; K493-N539 WeakPolarHBondContact CE-OD1 3.19Å; K493-N539 WeakPolarHBondContact CG-OD1 3.09Å; P507-N539 HydrophobicContact CG-CB 4.1Å; V535-N539 WeakPolarHBondContact O-CB 3.47Å; V535-N539 PolarHBondContact O-N 2.8Å; V535-N539 VanDerWaalsContact O-N 3.13Å; V535-N539 PolarHBondContact O-ND2 3Å; A536-N539 PolarHBondContact O-N 2.94Å; A537-N539 PolarHBondContact O-N 3.5Å
540G88.4Confident92.2Very high32 Ų3231.5 Ų31.533%0.3317%0.173SC..THydrogen-bonded Turntrans65.740175.500000114.1A536 A537 P542A536-G540 PolarHBondContact O-N 3.22Å; A537-G540 WeakPolarHBondContact O-CA 3.4Å; A537-G540 PolarHBondContact O-N 3.09Å; G540-P542 WeakPolarHBondContact O-CD 3.5Å
541C87.4Confident92.1Very high24 Ų2432.9 Ų32.916%0.16219%0.187CC..  trans-113.278.2-175.2-69.60000112.5A536 E543 I544 M545A536-C541 PolarHBondContact O-N 3Å; A536-C541 VanDerWaalsContact O-N 3.12Å; C541-E543 VanDerWaalsContact C-N 3.32Å; C541-E543 PolarHBondContact O-N 3.17Å; C541-I544 HydrophobicContact CB-CB 4.23Å; C541-I544 HydrophobicContact CB-CD1 4.17Å; C541-I544 HydrophobicContact CB-CG1 4.41Å; C541-I544 PolarHBondContact O-N 3.33Å; C541-M545 WeakPolarHBondContact O-CG 3.2Å; C541-M545 PolarHBondContact O-N 3.11Å; C541-M545 VanDerWaalsContact O-N 3.11Å
542P87.3Confident91.8Very high24 Ų2435 Ų3516%0.15621%0.208CC..Hα-helixtrans-64.2-29.9-173.526.1-34.6000113.9G540 I544 M545 A546G540-P542 WeakPolarHBondContact O-CD 3.5Å; P542-I544 VanDerWaalsContact C-N 3.35Å; P542-M545 PolarHBondContact O-N 3.27Å; P542-A546 PolarHBondContact O-N 3.02Å
543E89.3Confident91.5Very high120 Ų12035.3 Ų35.356%0.56121%0.211SC*.Hα-helixtrans-66.9-38177.4-58.384.8177.400112C541 A546 L547C541-E543 VanDerWaalsContact C-N 3.32Å; C541-E543 PolarHBondContact O-N 3.17Å; E543-A546 PolarHBondContact O-N 3.15Å; E543-L547 PolarHBondContact O-N 3.4Å
544I92.5Very high91.3Very high9 Ų937.2 Ų37.25%0.04622%0.22CC..Hα-helixtrans-71.9-37.9176.1-66.3177.8000110.1V491 P507 Q509 A536 C541 P542 A546 L547 L548V491-I544 HydrophobicContact CB-CG2 4.03Å; V491-I544 HydrophobicContact CG1-CG2 3.41Å; V491-I544 VanDerWaalsContact CG1-CG2 3.41Å; P507-I544 HydrophobicContact CB-CD1 3.33Å; Q509-I544 HydrophobicContact CB-CG1 4.01Å; Q509-I544 HydrophobicContact CG-CG1 4.43Å; A536-I544 HydrophobicContact CB-CG2 4.07Å; C541-I544 HydrophobicContact CB-CB 4.23Å; C541-I544 HydrophobicContact CB-CD1 4.17Å; C541-I544 HydrophobicContact CB-CG1 4.41Å; C541-I544 PolarHBondContact O-N 3.33Å; P542-I544 VanDerWaalsContact C-N 3.35Å; I544-A546 VanDerWaalsContact C-N 3.34Å; I544-A546 PolarHBondContact O-N 3.33Å; I544-L547 WeakPolarHBondContact O-CB 3.46Å; I544-L547 PolarHBondContact O-N 2.7Å; I544-L548 HydrophobicContact CG2-CD1 4.19Å; I544-L548 HydrophobicContact CG2-CG 4.47Å; I544-L548 WeakPolarHBondContact O-CG 3.5Å; I544-L548 PolarHBondContact O-N 3.14Å
545M92.8Very high90.8Very high0 Ų037.3 Ų37.30%022%0.22CC..Hα-helixtrans-59.6-45.7172.4-66.217869.100111.5L533 A536 A537 C541 P542 L547 L548 V549 F555 A565 L569 L579L533-M545 HydrophobicContact CD1-CB 3.82Å; L533-M545 HydrophobicContact CD1-CE 4.12Å; L533-M545 HydrophobicContact CD1-CG 3.96Å; A536-M545 HydrophobicContact CB-CG 3.82Å; A537-M545 HydrophobicContact CB-CE 3.81Å; A537-M545 HydrophobicContact CB-SD 3.83Å; C541-M545 WeakPolarHBondContact O-CG 3.2Å; C541-M545 PolarHBondContact O-N 3.11Å; C541-M545 VanDerWaalsContact O-N 3.11Å; P542-M545 PolarHBondContact O-N 3.27Å; M545-L547 VanDerWaalsContact C-N 3.28Å; M545-L547 PolarHBondContact O-N 3.47Å; M545-L548 PolarHBondContact O-N 3.41Å; M545-V549 VanDerWaalsContact O-CG2 3.3Å; M545-V549 WeakPolarHBondContact O-CG2 3.42Å; M545-V549 PolarHBondContact O-N 3.45Å; M545-F555 HydrophobicContact CE-CE2 4.49Å; M545-A565 HydrophobicContact CE-CB 4.37Å; M545-L569 HydrophobicContact CE-CD1 3.88Å; M545-L569 HydrophobicContact CE-CD2 4.22Å; M545-L569 HydrophobicContact CE-CG 4.09Å; M545-L569 HydrophobicContact SD-CD1 4.24Å; M545-L569 HydrophobicContact SD-CD2 3.6Å; M545-L569 HydrophobicContact SD-CG 4.15Å; M545-L579 HydrophobicContact CB-CD1 3.61Å; M545-L579 HydrophobicContact CE-CD1 4.21Å; M545-L579 HydrophobicContact SD-CD1 4.4Å
546A90.2Very high90.4Very high44 Ų4437.3 Ų37.336%0.36422%0.22SC..Hα-helixtrans-60.6-38176.400000112.3P542 E543 I544 K550 L579P542-A546 PolarHBondContact O-N 3.02Å; E543-A546 PolarHBondContact O-N 3.15Å; I544-A546 VanDerWaalsContact C-N 3.34Å; I544-A546 PolarHBondContact O-N 3.33Å; A546-K550 VanDerWaalsContact O-CB 3.31Å; A546-K550 WeakPolarHBondContact O-CB 3.11Å; A546-K550 PolarHBondContact O-N 3.06Å; A546-L579 HydrophobicContact CB-CD2 4.25Å
547L93.9Very high90.1Very high35 Ų3537.3 Ų37.318%0.18322%0.22CC..Hα-helixtrans-62.5-47.8173.7175.468.8000111.9Q509 A512 A513 L516 E543 I544 M545 K550 A551Q509-L547 HydrophobicContact CG-CD2 3.89Å; A512-L547 HydrophobicContact CB-CD2 4.1Å; A513-L547 HydrophobicContact CB-CD1 4.3Å; A513-L547 HydrophobicContact CB-CD2 3.9Å; L516-L547 HydrophobicContact CD1-CD2 4.28Å; L516-L547 HydrophobicContact CD1-CG 4.04Å; E543-L547 PolarHBondContact O-N 3.4Å; I544-L547 WeakPolarHBondContact O-CB 3.46Å; I544-L547 PolarHBondContact O-N 2.7Å; M545-L547 VanDerWaalsContact C-N 3.28Å; M545-L547 PolarHBondContact O-N 3.47Å; L547-K550 PolarHBondContact O-N 3.12Å; L547-A551 WeakPolarHBondContact O-CB 3.36Å; L547-A551 PolarHBondContact O-N 2.87Å
548L94.6Very high90Very high0 Ų038.4 Ų38.40%023%0.227CC..Hα-helixtrans-61.9-45179-69.9168.2000111.3L487 L516 V522 P532 L533 A536 I544 M545 K550 A551 G552 A553L487-L548 HydrophobicContact CD1-CD2 4.23Å; L487-L548 HydrophobicContact CD2-CD2 4.08Å; L487-L548 HydrophobicContact CG-CD2 4.36Å; L516-L548 HydrophobicContact CD1-CD2 4.21Å; L516-L548 HydrophobicContact CD2-CD2 4.45Å; V522-L548 HydrophobicContact CG2-CB 4.28Å; V522-L548 HydrophobicContact CG2-CD2 3.87Å; P532-L548 HydrophobicContact CB-CD1 4.15Å; P532-L548 HydrophobicContact CB-CD2 4.16Å; L533-L548 HydrophobicContact CB-CD1 4.37Å; L533-L548 HydrophobicContact CD1-CB 4.15Å; L533-L548 HydrophobicContact CD1-CD1 4.21Å; A536-L548 HydrophobicContact CB-CD1 4.07Å; I544-L548 HydrophobicContact CG2-CD1 4.19Å; I544-L548 HydrophobicContact CG2-CG 4.47Å; I544-L548 WeakPolarHBondContact O-CG 3.5Å; I544-L548 PolarHBondContact O-N 3.14Å; M545-L548 PolarHBondContact O-N 3.41Å; L548-K550 PolarHBondContact O-N 3.42Å; L548-A551 CarbonylContact O-C 3.4Å; L548-A551 WeakPolarHBondContact O-CA 3.41Å; L548-A551 WeakPolarHBondContact O-CB 3.37Å; L548-A551 PolarHBondContact O-N 2.83Å; L548-G552 PolarHBondContact O-N 2.98Å; L548-A553 HydrophobicContact CB-CB 4.07Å; L548-A553 VanDerWaalsContact O-CB 3.3Å; L548-A553 WeakPolarHBondContact O-CB 3.33Å; L548-A553 PolarHBondContact O-N 3.49Å
549V91.2Very high90Very high16 Ų1633.5 Ų33.510%0.09720%0.201CC..Hα-helixtrans-62.5-42.4176.7173.40000111.4L533 M545 A551 G552 F555 Y584L533-V549 HydrophobicContact CD1-CG2 4.08Å; L533-V549 HydrophobicContact CD2-CG2 4.36Å; M545-V549 VanDerWaalsContact O-CG2 3.3Å; M545-V549 WeakPolarHBondContact O-CG2 3.42Å; M545-V549 PolarHBondContact O-N 3.45Å; V549-A551 PolarHBondContact O-N 2.77Å; V549-G552 PolarHBondContact O-N 3.29Å; V549-F555 HydrophobicContact CG2-CD2 3.67Å; V549-F555 HydrophobicContact CG2-CE2 4.2Å; V549-Y584 HydrophobicContact CG1-CD1 3.26Å; V549-Y584 HydrophobicContact CG1-CD2 4.28Å; V549-Y584 HydrophobicContact CG1-CE1 3.5Å; V549-Y584 VanDerWaalsContact CG1-CE1 3.5Å; V549-Y584 HydrophobicContact CG1-CE2 4.47Å; V549-Y584 HydrophobicContact CG1-CG 3.69Å
550K90.9Very high90Very high189 Ų18935.1 Ų35.182%0.82222%0.217SC*.Hα-helixtrans-61.8-31.1174.4-174.6-177.6177.5-173.40112.2A546 L547 L548 G552A546-K550 VanDerWaalsContact O-CB 3.31Å; A546-K550 WeakPolarHBondContact O-CB 3.11Å; A546-K550 PolarHBondContact O-N 3.06Å; L547-K550 PolarHBondContact O-N 3.12Å; L548-K550 PolarHBondContact O-N 3.42Å; K550-G552 VanDerWaalsContact C-N 3.26Å
551A92.4Very high89.9Confident49 Ų4938.6 Ų38.641%0.40523%0.225SC..THydrogen-bonded Turntrans-81.4-0.9175.500000113.9L516 V522 L547 L548 V549L516-A551 HydrophobicContact CD1-CB 3.78Å; L516-A551 HydrophobicContact CD2-CB 3.95Å; L516-A551 HydrophobicContact CG-CB 4.29Å; V522-A551 HydrophobicContact CG2-CB 4.44Å; L547-A551 WeakPolarHBondContact O-CB 3.36Å; L547-A551 PolarHBondContact O-N 2.87Å; L548-A551 CarbonylContact O-C 3.4Å; L548-A551 WeakPolarHBondContact O-CA 3.41Å; L548-A551 WeakPolarHBondContact O-CB 3.37Å; L548-A551 PolarHBondContact O-N 2.83Å; V549-A551 PolarHBondContact O-N 2.77Å
552G90.1Very high90Very high43 Ų4346.1 Ų46.144%0.44325%0.25SS..THydrogen-bonded Turntrans107.410.1173.500000115.6L548 V549 K550 H554L548-G552 PolarHBondContact O-N 2.98Å; V549-G552 PolarHBondContact O-N 3.29Å; K550-G552 VanDerWaalsContact C-N 3.26Å; G552-H554 PolarHBondContact O-N 2.96Å
553A90.7Very high90Very high8 Ų849.8 Ų49.87%0.06626%0.263CS..  trans-57.9134.3178.500000112.4V522 L533 L548 F555V522-A553 HydrophobicContact CG2-CB 3.64Å; L533-A553 HydrophobicContact CD2-CB 4.25Å; L548-A553 HydrophobicContact CB-CB 4.07Å; L548-A553 VanDerWaalsContact O-CB 3.3Å; L548-A553 WeakPolarHBondContact O-CB 3.33Å; L548-A553 PolarHBondContact O-N 3.49Å; A553-F555 PolarHBondContact O-N 2.89Å
554H89.1Confident90.1Very high40 Ų4045.3 Ų45.319%0.18524%0.244CC..  trans-72.8109.5173.9-78.4-74.9000110.9D523 G552 D556 A557 C589 F613 L616 H617D523-H554 PolarHBondContact OD1-N 3.14Å; D523-H554 IonicContact OD2-CD2 3.4Å; D523-H554 PolarHBondContact OD2-CD2 3.27Å; D523-H554 IonicContact OD2-CG 3.19Å; D523-H554 PolarHBondContact OD2-N 3.41Å; G552-H554 PolarHBondContact O-N 2.96Å; H554-D556 PolarHBondContact O-N 3.29Å; H554-A557 HydrophobicContact CB-CB 4.12Å; H554-A557 WeakPolarHBondContact O-CB 3.16Å; H554-A557 PolarHBondContact O-N 3.44Å; H554-C589 PolarHBondContact ND1-SG 3.31Å; H554-C589 VanDerWaalsContact ND1-SG 3.45Å; H554-F613 AromaticContact CE1-CE2 3.39Å; H554-F613 WeakPolarHBondContact CE1-CE2 3.15Å; H554-F613 AromaticContact CE1-CZ 3.93Å; H554-F613 AromaticContact NE2-CE2 3.55Å; H554-L616 HydrophobicContact CB-CD2 3.87Å; H554-H617 AromaticContact ND1-CE1 3.9Å; H554-H617 AromaticContact ND1-NE2 3.64Å
555F85.3Confident89.8Confident4 Ų444.9 Ų44.92%0.01824%0.242CC..THydrogen-bonded Turntrans-68.2-24.7-175.7-159.2-94.4000113.6L533 M545 V549 A553 Y566 L579 P581 Y584L533-F555 HydrophobicContact CD2-CD2 4.03Å; M545-F555 HydrophobicContact CE-CE2 4.49Å; V549-F555 HydrophobicContact CG2-CD2 3.67Å; V549-F555 HydrophobicContact CG2-CE2 4.2Å; A553-F555 PolarHBondContact O-N 2.89Å; F555-Y566 AromaticContact CE1-CD2 3.88Å; F555-Y566 HydrophobicContact CE1-CD2 3.88Å; F555-Y566 HydrophobicContact CE1-CG 4.09Å; F555-Y566 AromaticContact CZ-CD2 3.87Å; F555-Y566 HydrophobicContact CZ-CD2 3.87Å; F555-Y566 HydrophobicContact CZ-CG 4.43Å; F555-L579 HydrophobicContact CE2-CB 4.08Å; F555-L579 HydrophobicContact CE2-CD1 4.5Å; F555-L579 HydrophobicContact CZ-CB 4.02Å; F555-P581 HydrophobicContact CD1-CB 3.82Å; F555-P581 HydrophobicContact CD1-CG 4.31Å; F555-P581 HydrophobicContact CE1-CB 3.79Å; F555-P581 HydrophobicContact CE1-CG 3.76Å; F555-Y584 HydrophobicContact CD2-CD2 4.43Å
556D86.3Confident89.5Confident10 Ų1047.7 Ų47.75%0.05325%0.253CS..THydrogen-bonded Turntrans-104.713.5179.464-33000113.6H554 I585 C589 R593 H617H554-D556 PolarHBondContact O-N 3.29Å; D556-I585 HydrophobicContact CB-CD1 4.46Å; D556-I585 HydrophobicContact CB-CG1 4.14Å; D556-C589 PolarHBondContact OD1-SG 3.08Å; D556-C589 VanDerWaalsContact OD2-CB 3.25Å; D556-C589 WeakPolarHBondContact OD2-CB 3.42Å; D556-R593 WeakPolarHBondContact OD2-CD 3.27Å; D556-H617 VanDerWaalsContact CG-CD2 3.41Å; D556-H617 IonicContact OD1-CD2 3.98Å; D556-H617 PolarHBondContact OD1-CD2 3.19Å; D556-H617 IonicContact OD1-NE2 2.81Å; D556-H617 PolarHBondContact OD1-NE2 3.1Å; D556-H617 IonicContact OD2-CD2 3.35Å; D556-H617 PolarHBondContact OD2-CD2 3.36Å; D556-H617 IonicContact OD2-NE2 3.3Å
557A87.5Confident89.3Confident0 Ų051.3 Ų51.30%026%0.263CS..  trans-57.6144.416500000110.2T531 H534 H554 L616T531-A557 HydrophobicContact CG2-CB 4.23Å; H534-A557 PolarHBondContact CE1-O 3.46Å; H534-A557 VanDerWaalsContact CE1-O 3.28Å; H534-A557 PolarHBondContact NE2-O 3.22Å; H534-A557 VanDerWaalsContact NE2-O 3.14Å; H554-A557 HydrophobicContact CB-CB 4.12Å; H554-A557 WeakPolarHBondContact O-CB 3.16Å; H554-A557 PolarHBondContact O-N 3.44Å; A557-L616 VanDerWaalsContact CA-O 3.27Å; A557-L616 WeakPolarHBondContact CA-O 3.25Å; A557-L616 HydrophobicContact CB-CD1 3.76Å; A557-L616 HydrophobicContact CB-CD2 4.5Å; A557-L616 HydrophobicContact CB-CG 3.82Å
558T89.3Confident88.9Confident24 Ų2451.4 Ų51.415%0.14726%0.263CS..BIsolated β-bridgetrans-117.4143.9-179.463.40000113.1R525 K563 T564 L616 H617R525-T558 PolarHBondContact NH2-O 3.24Å; T558-K563 WeakPolarHBondContact CA-O 3.38Å; T558-T564 HydrophobicContact CG2-CG2 4.03Å; T558-L616 PolarHBondContact N-O 3.32Å; T558-H617 WeakPolarHBondContact CG2-O 3.25Å; T558-H617 PolarHBondContact OG1-O 2.68Å
559N90.8Very high88.4Confident7 Ų752 Ų524%0.03727%0.266CS..  trans-82.5-176.917377.1-0.2000112.3N530 Q561 R562 K563N530-N559 WeakPolarHBondContact OD1-CB 3.4Å; N530-N559 PolarHBondContact OD1-ND2 3.18Å; N530-N559 VanDerWaalsContact OD1-ND2 3.08Å; N559-Q561 VanDerWaalsContact CG-OE1 3.24Å; N559-Q561 PolarHBondContact ND2-OE1 2.96Å; N559-Q561 PolarHBondContact O-N 3.26Å; N559-Q561 VanDerWaalsContact O-N 3.11Å; N559-Q561 WeakPolarHBondContact OD1-CA 3.41Å; N559-Q561 PolarHBondContact OD1-N 3.03Å; N559-Q561 PolarHBondContact OD1-OE1 3.46Å; N559-R562 WeakPolarHBondContact O-CA 3.42Å; N559-R562 PolarHBondContact O-N 3.31Å; N559-R562 PolarHBondContact OD1-N 3.07Å; N559-K563 PolarHBondContact N-O 3.19Å; N559-K563 PolarHBondContact OD1-N 3.18Å; N559-K563 PolarHBondContact OD1-O 3.05Å
560A89.4Confident87.4Confident59 Ų5955.9 Ų55.949%0.48829%0.287SS..THydrogen-bonded Turntrans-60.8-22.6-17900000113.8E528 N529 R562E528-A560 WeakPolarHBondContact O-CB 3.48Å; E528-A560 PolarHBondContact O-N 3.29Å; N529-A560 HydrophobicContact CB-CB 4.34Å; A560-R562 VanDerWaalsContact C-N 3.3Å
561Q88.3Confident86Confident105 Ų10553.4 Ų53.449%0.49128%0.282SS..THydrogen-bonded Turntrans-90.99.9174.6-58.980.424.700113N559 K563N559-Q561 VanDerWaalsContact CG-OE1 3.24Å; N559-Q561 PolarHBondContact ND2-OE1 2.96Å; N559-Q561 PolarHBondContact O-N 3.26Å; N559-Q561 VanDerWaalsContact O-N 3.11Å; N559-Q561 WeakPolarHBondContact OD1-CA 3.41Å; N559-Q561 PolarHBondContact OD1-N 3.03Å; N559-Q561 PolarHBondContact OD1-OE1 3.46Å; Q561-K563 HydrophobicContact CB-CG 4.37Å; Q561-K563 PolarHBondContact O-N 3.24Å
562R87.7Confident84.4Confident183 Ų18359.2 Ų59.269%0.69130%0.301SS*.SBendtrans59.529.1-176.8-59.5-176.1167-147.6-16.8113.7N559 A560 E596N559-R562 WeakPolarHBondContact O-CA 3.42Å; N559-R562 PolarHBondContact O-N 3.31Å; N559-R562 PolarHBondContact OD1-N 3.07Å; A560-R562 VanDerWaalsContact C-N 3.3Å; R562-E596 IonicContact NH2-OE2 3.97Å
563K88.5Confident82.9Confident100 Ų10058.8 Ų58.844%0.43529%0.291SS..  trans-97.4139.5175-65.1-173.8175.3-172.70110.1H534 T558 N559 Q561 E567 L568H534-K563 PolarHBondContact NE2-O 3.02Å; H534-K563 VanDerWaalsContact NE2-O 3.16Å; T558-K563 WeakPolarHBondContact CA-O 3.38Å; N559-K563 PolarHBondContact N-O 3.19Å; N559-K563 PolarHBondContact OD1-N 3.18Å; N559-K563 PolarHBondContact OD1-O 3.05Å; Q561-K563 HydrophobicContact CB-CG 4.37Å; Q561-K563 PolarHBondContact O-N 3.24Å; K563-E567 VanDerWaalsContact CA-OE2 3.27Å; K563-E567 WeakPolarHBondContact CA-OE2 3.39Å; K563-L568 HydrophobicContact CB-CD2 4.19Å; K563-L568 HydrophobicContact CB-CG 4.41Å; K563-L568 HydrophobicContact CD-CD2 3.76Å
564T90.4Very high81.3Confident26 Ų2660.5 Ų60.516%0.1631%0.309CS..BIsolated β-bridgetrans-83160.9170.162.30000110.9T558 Y566 E567 L568T558-T564 HydrophobicContact CG2-CG2 4.03Å; T564-Y566 PolarHBondContact O-N 2.72Å; T564-E567 PolarHBondContact N-OE2 3.16Å; T564-E567 PolarHBondContact O-N 3.47Å; T564-E567 VanDerWaalsContact O-N 3.09Å; T564-E567 WeakPolarHBondContact OG1-CG 3.31Å; T564-E567 PolarHBondContact OG1-N 3.31Å; T564-E567 PolarHBondContact OG1-OE2 3.23Å; T564-L568 PolarHBondContact O-N 3.13Å
565A87.6Confident79.9Confident1 Ų158.6 Ų58.61%0.00830%0.3CS..G310 helixtrans-57.3-31.8173.600000112.9L533 A537 M545 L568 L569L533-A565 HydrophobicContact CB-CB 4.31Å; L533-A565 HydrophobicContact CD2-CB 3.93Å; L533-A565 HydrophobicContact CG-CB 3.63Å; A537-A565 HydrophobicContact CB-CB 4.13Å; A537-A565 WeakPolarHBondContact CB-O 3.23Å; M545-A565 HydrophobicContact CE-CB 4.37Å; A565-L568 PolarHBondContact O-N 3.09Å; A565-L569 PolarHBondContact O-N 3.44Å
566Y86Confident78.7Confident58 Ų5860.1 Ų60.123%0.22731%0.308CS..G310 helixtrans-66.7-35.4176.8-171.6-99.7000113.1F555 T564 L568 L569 H576 L579 P581F555-Y566 AromaticContact CE1-CD2 3.88Å; F555-Y566 HydrophobicContact CE1-CD2 3.88Å; F555-Y566 HydrophobicContact CE1-CG 4.09Å; F555-Y566 AromaticContact CZ-CD2 3.87Å; F555-Y566 HydrophobicContact CZ-CD2 3.87Å; F555-Y566 HydrophobicContact CZ-CG 4.43Å; T564-Y566 PolarHBondContact O-N 2.72Å; Y566-L568 VanDerWaalsContact C-N 3.26Å; Y566-L568 PolarHBondContact O-N 3.22Å; Y566-L569 HydrophobicContact CD2-CD1 4.18Å; Y566-L569 WeakPolarHBondContact O-CB 3.32Å; Y566-L569 PolarHBondContact O-N 2.92Å; Y566-H576 AromaticContact CE1-ND1 3.62Å; Y566-H576 AromaticContact CE2-ND1 3.41Å; Y566-H576 WeakPolarHBondContact CE2-ND1 3.45Å; Y566-H576 AromaticContact CZ-CE1 3.98Å; Y566-H576 AromaticContact CZ-ND1 3.14Å; Y566-H576 PolarHBondContact O-CE1 2.9Å; Y566-H576 PolarHBondContact OH-ND1 3.16Å; Y566-L579 VanDerWaalsContact CE2-O 3.29Å; Y566-L579 WeakPolarHBondContact CE2-O 3.47Å; Y566-P581 HydrophobicContact CD1-CG 4.11Å; Y566-P581 HydrophobicContact CD2-CG 4.05Å; Y566-P581 HydrophobicContact CE1-CG 4.32Å; Y566-P581 HydrophobicContact CE2-CG 4.25Å; Y566-P581 HydrophobicContact CG-CG 3.96Å
567E86.2Confident77.5Confident120 Ų12064.9 Ų64.956%0.56134%0.337SS*.G310 helixtrans-77.2-14.2177.9-68.1166.315100112.9K563 T564K563-E567 VanDerWaalsContact CA-OE2 3.27Å; K563-E567 WeakPolarHBondContact CA-OE2 3.39Å; T564-E567 PolarHBondContact N-OE2 3.16Å; T564-E567 PolarHBondContact O-N 3.47Å; T564-E567 VanDerWaalsContact O-N 3.09Å; T564-E567 WeakPolarHBondContact OG1-CG 3.31Å; T564-E567 PolarHBondContact OG1-N 3.31Å; T564-E567 PolarHBondContact OG1-OE2 3.23Å
568L85.6Confident76.4Confident38 Ų3868 Ų6820%0.19936%0.363CS..G310 helixtrans-90.2-11.3173.9-63.2178.9000112.9H534 A537 K563 T564 A565 Y566H534-L568 HydrophobicContact CB-CD1 3.99Å; A537-L568 HydrophobicContact CB-CB 4.25Å; K563-L568 HydrophobicContact CB-CD2 4.19Å; K563-L568 HydrophobicContact CB-CG 4.41Å; K563-L568 HydrophobicContact CD-CD2 3.76Å; T564-L568 PolarHBondContact O-N 3.13Å; A565-L568 PolarHBondContact O-N 3.09Å; Y566-L568 VanDerWaalsContact C-N 3.26Å; Y566-L568 PolarHBondContact O-N 3.22Å
569L83.3Confident75.4Confident12 Ų1267.1 Ų67.16%0.06336%0.357CS..SBendtrans-66.6133.6174.4-80.7171.4000110A537 M545 A565 Y566 H576A537-L569 HydrophobicContact CB-CD2 4.17Å; A537-L569 HydrophobicContact CB-CG 4.14Å; M545-L569 HydrophobicContact CE-CD1 3.88Å; M545-L569 HydrophobicContact CE-CD2 4.22Å; M545-L569 HydrophobicContact CE-CG 4.09Å; M545-L569 HydrophobicContact SD-CD1 4.24Å; M545-L569 HydrophobicContact SD-CD2 3.6Å; M545-L569 HydrophobicContact SD-CG 4.15Å; A565-L569 PolarHBondContact O-N 3.44Å; Y566-L569 HydrophobicContact CD2-CD1 4.18Å; Y566-L569 WeakPolarHBondContact O-CB 3.32Å; Y566-L569 PolarHBondContact O-N 2.92Å; L569-H576 WeakPolarHBondContact CB-NE2 3.37Å; L569-H576 PolarHBondContact O-NE2 2.91Å
570D70.4Confident74.6Confident98 Ų9872.7 Ų72.752%0.52438%0.379SS..  trans-76.5136.8172.3-170.91.4000109.5H572 S573D570-H572 PolarHBondContact O-N 3.25Å; D570-H572 IonicContact OD1-CD2 3.38Å; D570-S573 WeakPolarHBondContact O-CB 3.12Å; D570-S573 PolarHBondContact O-N 3.26Å; D570-S573 PolarHBondContact O-OG 3.12Å
571D61.4Low73.8Confident136 Ų13671.5 Ų71.573%0.72737%0.366SS*.G310 helixtrans-56.2-25.4-178.2-76.9-35.7000112.2H576D571-H576 IonicContact OD1-NE2 2.69Å
572H58.7Low73.1Confident172 Ų17273.8 Ų73.880%0.79638%0.381SS*.G310 helixtrans-84.2-8.9-179.9-63.5-55.2000115.1D570 G574D570-H572 PolarHBondContact O-N 3.25Å; D570-H572 IonicContact OD1-CD2 3.38Å; H572-G574 PolarHBondContact O-N 3.29Å
573S58.3Low72.7Confident34 Ų3470.5 Ų70.524%0.23838%0.377CS..G310 helixtrans-83.8-2.5-171.365.20000115.1D570 G575D570-S573 WeakPolarHBondContact O-CB 3.12Å; D570-S573 PolarHBondContact O-N 3.26Å; D570-S573 PolarHBondContact O-OG 3.12Å; S573-G575 PolarHBondContact O-N 3.07Å
574G57.8Low72.3Confident43 Ų4370 Ų7044%0.44337%0.373SS..SBendtrans66.4-4.1-177.900000115.1H572 H576 T577H572-G574 PolarHBondContact O-N 3.29Å; G574-H576 VanDerWaalsContact C-N 3.31Å; G574-H576 PolarHBondContact O-N 2.89Å; G574-T577 PolarHBondContact O-N 3.38Å; G574-T577 PolarHBondContact O-OG1 3.28Å
575G59.3Low71.9Confident0 Ų070.7 Ų70.70%038%0.375CS..Hα-helixtrans-65.9-30.1-179.400000113.9S573 T577 A578 L579S573-G575 PolarHBondContact O-N 3.07Å; G575-T577 PolarHBondContact O-N 3.28Å; G575-A578 PolarHBondContact O-N 3.08Å; G575-L579 PolarHBondContact O-N 3.09Å
576H61.1Low71.8Confident37 Ų3773.5 Ų73.517%0.17139%0.392CS..Hα-helixtrans-64-23.9-179.7-71-73.1000114.2Y566 L569 D571 G574Y566-H576 AromaticContact CE1-ND1 3.62Å; Y566-H576 AromaticContact CE2-ND1 3.41Å; Y566-H576 WeakPolarHBondContact CE2-ND1 3.45Å; Y566-H576 AromaticContact CZ-CE1 3.98Å; Y566-H576 AromaticContact CZ-ND1 3.14Å; Y566-H576 PolarHBondContact O-CE1 2.9Å; Y566-H576 PolarHBondContact OH-ND1 3.16Å; L569-H576 WeakPolarHBondContact CB-NE2 3.37Å; L569-H576 PolarHBondContact O-NE2 2.91Å; D571-H576 IonicContact OD1-NE2 2.69Å; G574-H576 VanDerWaalsContact C-N 3.31Å; G574-H576 PolarHBondContact O-N 2.89Å
577T60.3Low71.8Confident109 Ų10978.1 Ų78.167%0.66942%0.42SS*.Hα-helixtrans-88.5-22.3178.553.70000113.2G574 G575G574-T577 PolarHBondContact O-N 3.38Å; G574-T577 PolarHBondContact O-OG1 3.28Å; G575-T577 PolarHBondContact O-N 3.28Å
578A63.4Low71.7Confident67 Ų6778.9 Ų78.955%0.55442%0.424SS*.Hα-helixtrans-96-28.1-17500000113.8G575G575-A578 PolarHBondContact O-N 3.08Å
579L69Low71.7Confident4 Ų477.1 Ų77.12%0.02141%0.414CS..  trans-125.791.6-172.9-66.9168.3000110.8M545 A546 F555 Y566 G575 Y584M545-L579 HydrophobicContact CB-CD1 3.61Å; M545-L579 HydrophobicContact CE-CD1 4.21Å; M545-L579 HydrophobicContact SD-CD1 4.4Å; A546-L579 HydrophobicContact CB-CD2 4.25Å; F555-L579 HydrophobicContact CE2-CB 4.08Å; F555-L579 HydrophobicContact CE2-CD1 4.5Å; F555-L579 HydrophobicContact CZ-CB 4.02Å; Y566-L579 VanDerWaalsContact CE2-O 3.29Å; Y566-L579 WeakPolarHBondContact CE2-O 3.47Å; G575-L579 PolarHBondContact O-N 3.09Å; L579-Y584 HydrophobicContact CD2-CE2 4.09Å
580Y73.8Confident71.8Confident125 Ų12580.7 Ų80.749%0.4943%0.433SS..  trans-86.9124174.9-79.7-84.5000111.2L582 N583 Y584Y580-L582 PolarHBondContact O-N 2.95Å; Y580-L582 VanDerWaalsContact O-N 3.1Å; Y580-N583 WeakPolarHBondContact O-CB 3.33Å; Y580-N583 PolarHBondContact O-N 2.9Å; Y580-Y584 WeakPolarHBondContact O-CD2 3.45Å
581P72.3Confident72.6Confident33 Ų3378.5 Ų78.521%0.21443%0.429CS..G310 helixtrans-52.9-37.5-176.8-1817.3000114.1F555 Y566 N583 Y584 I585F555-P581 HydrophobicContact CD1-CB 3.82Å; F555-P581 HydrophobicContact CD1-CG 4.31Å; F555-P581 HydrophobicContact CE1-CB 3.79Å; F555-P581 HydrophobicContact CE1-CG 3.76Å; Y566-P581 HydrophobicContact CD1-CG 4.11Å; Y566-P581 HydrophobicContact CD2-CG 4.05Å; Y566-P581 HydrophobicContact CE1-CG 4.32Å; Y566-P581 HydrophobicContact CE2-CG 4.25Å; Y566-P581 HydrophobicContact CG-CG 3.96Å; P581-N583 PolarHBondContact O-N 3.37Å; P581-N583 VanDerWaalsContact O-N 3.09Å; P581-Y584 PolarHBondContact O-N 2.88Å; P581-I585 HydrophobicContact CB-CD1 4.05Å; P581-I585 WeakPolarHBondContact O-CG1 3.36Å; P581-I585 PolarHBondContact O-N 3.45Å
582L74.6Confident73.9Confident153 Ų15372.1 Ų72.180%0.80140%0.395SS*.G310 helixtrans-58.8-24.3-178.3-72.7167.3000113.7Y580 Y584Y580-L582 PolarHBondContact O-N 2.95Å; Y580-L582 VanDerWaalsContact O-N 3.1Å; L582-Y584 VanDerWaalsContact C-N 3.27Å; L582-Y584 PolarHBondContact O-N 3.31Å
583N79.2Confident75.1Confident114 Ų11469.5 Ų69.561%0.6138%0.378SS*.G310 helixtrans-78.9-12.9-179.6-65.1-16.3000113Y580 P581Y580-N583 WeakPolarHBondContact O-CB 3.33Å; Y580-N583 PolarHBondContact O-N 2.9Å; P581-N583 PolarHBondContact O-N 3.37Å; P581-N583 VanDerWaalsContact O-N 3.09Å
584Y79.5Confident76.5Confident89 Ų8969.8 Ų69.835%0.34938%0.383SS..THydrogen-bonded Turntrans-128.2-7.8-168.2-53.4-69.3000113.8V549 F555 L579 Y580 P581 L582V549-Y584 HydrophobicContact CG1-CD1 3.26Å; V549-Y584 HydrophobicContact CG1-CD2 4.28Å; V549-Y584 HydrophobicContact CG1-CE1 3.5Å; V549-Y584 VanDerWaalsContact CG1-CE1 3.5Å; V549-Y584 HydrophobicContact CG1-CE2 4.47Å; V549-Y584 HydrophobicContact CG1-CG 3.69Å; F555-Y584 HydrophobicContact CD2-CD2 4.43Å; L579-Y584 HydrophobicContact CD2-CE2 4.09Å; Y580-Y584 WeakPolarHBondContact O-CD2 3.45Å; P581-Y584 PolarHBondContact O-N 2.88Å; L582-Y584 VanDerWaalsContact C-N 3.27Å; L582-Y584 PolarHBondContact O-N 3.31Å
585I82.3Confident78Confident42 Ų4269.8 Ų69.822%0.21537%0.372CS..  trans-81122.2175.4-65.5165.5000109.8D556 P581 C589 L590D556-I585 HydrophobicContact CB-CD1 4.46Å; D556-I585 HydrophobicContact CB-CG1 4.14Å; P581-I585 HydrophobicContact CB-CD1 4.05Å; P581-I585 WeakPolarHBondContact O-CG1 3.36Å; P581-I585 PolarHBondContact O-N 3.45Å; I585-C589 HydrophobicContact CG2-CB 3.99Å; I585-L590 HydrophobicContact CG2-CD2 3.8Å; I585-L590 HydrophobicContact CG2-CG 3.84Å
586T85Confident79.2Confident60 Ų6072.9 Ų72.937%0.36839%0.386SS..  trans-89.8165.2177.775.20000112.2Q588 C589 L590T586-Q588 PolarHBondContact O-N 3.16Å; T586-Q588 PolarHBondContact OG1-N 3.49Å; T586-C589 WeakPolarHBondContact O-CB 3.43Å; T586-C589 PolarHBondContact O-N 3.24Å; T586-C589 PolarHBondContact OG1-N 2.97Å; T586-C589 PolarHBondContact OG1-SG 3.11Å; T586-L590 PolarHBondContact O-N 3.21Å; T586-L590 VanDerWaalsContact O-N 3.09Å
587L85.7Confident80.4Confident154 Ų15479 Ų7981%0.80641%0.413SS*.Hα-helixtrans-57.8-35170.6-88.2146.7000112.8L590 A591L587-L590 PolarHBondContact O-N 3.17Å; L587-A591 PolarHBondContact O-N 3.33Å
588Q85Confident81.8Confident137 Ų13779.8 Ų79.864%0.6441%0.408SS*.Hα-helixtrans-65.6-44.1176.9-68.3176.6-22.400110.7T586 L590 A591 A592 F613T586-Q588 PolarHBondContact O-N 3.16Å; T586-Q588 PolarHBondContact OG1-N 3.49Å; Q588-L590 VanDerWaalsContact C-N 3.34Å; Q588-L590 PolarHBondContact O-N 3.01Å; Q588-A591 WeakPolarHBondContact O-CB 3.49Å; Q588-A591 PolarHBondContact O-N 3.42Å; Q588-A591 VanDerWaalsContact O-N 3.16Å; Q588-A592 PolarHBondContact O-N 3.42Å; Q588-F613 HydrophobicContact CB-CE1 3.95Å; Q588-F613 HydrophobicContact CB-CZ 3.71Å
589C84.9Confident83Confident0 Ų087.5 Ų87.50%042%0.423CS..Hα-helixtrans-57.3-45.7174.3-59.60000111.7H554 D556 I585 T586 A591 A592 R593 H617H554-C589 PolarHBondContact ND1-SG 3.31Å; H554-C589 VanDerWaalsContact ND1-SG 3.45Å; D556-C589 PolarHBondContact OD1-SG 3.08Å; D556-C589 VanDerWaalsContact OD2-CB 3.25Å; D556-C589 WeakPolarHBondContact OD2-CB 3.42Å; I585-C589 HydrophobicContact CG2-CB 3.99Å; T586-C589 WeakPolarHBondContact O-CB 3.43Å; T586-C589 PolarHBondContact O-N 3.24Å; T586-C589 PolarHBondContact OG1-N 2.97Å; T586-C589 PolarHBondContact OG1-SG 3.11Å; C589-A591 VanDerWaalsContact C-N 3.31Å; C589-A591 PolarHBondContact O-N 2.75Å; C589-A592 PolarHBondContact O-N 2.73Å; C589-R593 WeakPolarHBondContact O-CG 3.42Å; C589-R593 PolarHBondContact O-N 3.04Å; C589-H617 PolarHBondContact SG-NE2 2.82Å
590L86.1Confident84.1Confident87 Ų8791.6 Ų91.646%0.45545%0.445SS..Hα-helixtrans-62.1-38176.8-67.6175000112.6I585 T586 L587 Q588 A594I585-L590 HydrophobicContact CG2-CD2 3.8Å; I585-L590 HydrophobicContact CG2-CG 3.84Å; T586-L590 PolarHBondContact O-N 3.21Å; T586-L590 VanDerWaalsContact O-N 3.09Å; L587-L590 PolarHBondContact O-N 3.17Å; Q588-L590 VanDerWaalsContact C-N 3.34Å; Q588-L590 PolarHBondContact O-N 3.01Å; L590-A594 WeakPolarHBondContact O-CB 3.18Å; L590-A594 PolarHBondContact O-N 3.12Å
591A87.9Confident84.8Confident53 Ų5390.9 Ų90.944%0.43846%0.455SS..Hα-helixtrans-66.8-45.9176.700000111.5L587 Q588 C589 R593 A594 I595L587-A591 PolarHBondContact O-N 3.33Å; Q588-A591 WeakPolarHBondContact O-CB 3.49Å; Q588-A591 PolarHBondContact O-N 3.42Å; Q588-A591 VanDerWaalsContact O-N 3.16Å; C589-A591 VanDerWaalsContact C-N 3.31Å; C589-A591 PolarHBondContact O-N 2.75Å; A591-R593 VanDerWaalsContact C-N 3.35Å; A591-R593 PolarHBondContact O-N 3.16Å; A591-A594 WeakPolarHBondContact O-CB 3.32Å; A591-A594 PolarHBondContact O-N 3.44Å; A591-A594 VanDerWaalsContact O-N 3.12Å; A591-I595 WeakPolarHBondContact O-CG1 3.49Å; A591-I595 PolarHBondContact O-N 2.73Å
592A87.3Confident85.6Confident2 Ų290.4 Ų90.42%0.01745%0.45CS..Hα-helixtrans-56.2-48.5175.300000111.7Q588 C589 A594 I595 E596 F613 I614 H617Q588-A592 PolarHBondContact O-N 3.42Å; C589-A592 PolarHBondContact O-N 2.73Å; A592-A594 VanDerWaalsContact C-N 3.28Å; A592-A594 PolarHBondContact O-N 2.88Å; A592-I595 WeakPolarHBondContact O-CB 3.46Å; A592-I595 PolarHBondContact O-N 2.68Å; A592-I595 VanDerWaalsContact O-N 3.13Å; A592-E596 PolarHBondContact O-N 2.52Å; A592-F613 HydrophobicContact CB-CD1 3.99Å; A592-F613 HydrophobicContact CB-CE1 3.83Å; A592-I614 HydrophobicContact CB-CB 4.47Å; A592-I614 HydrophobicContact CB-CG1 4.1Å; A592-H617 HydrophobicContact CB-CB 4.2Å
593R84.5Confident86.3Confident116 Ų11690.3 Ų90.344%0.43844%0.439SS..Hα-helixtrans-61.3-34.4176.2-70.5173.961.4-166.61.7113.2D556 C589 A591 K597 H617D556-R593 WeakPolarHBondContact OD2-CD 3.27Å; C589-R593 WeakPolarHBondContact O-CG 3.42Å; C589-R593 PolarHBondContact O-N 3.04Å; A591-R593 VanDerWaalsContact C-N 3.35Å; A591-R593 PolarHBondContact O-N 3.16Å; R593-K597 WeakPolarHBondContact O-CB 3.35Å; R593-K597 PolarHBondContact O-N 2.85Å; R593-H617 HydrophobicContact CG-CB 4.02Å
594A88.6Confident86.7Confident41 Ų4188.3 Ų88.334%0.33945%0.445SS..Hα-helixtrans-68.5-40.9175.800000111.6L590 A591 A592 K597 H598L590-A594 WeakPolarHBondContact O-CB 3.18Å; L590-A594 PolarHBondContact O-N 3.12Å; A591-A594 WeakPolarHBondContact O-CB 3.32Å; A591-A594 PolarHBondContact O-N 3.44Å; A591-A594 VanDerWaalsContact O-N 3.12Å; A592-A594 VanDerWaalsContact C-N 3.28Å; A592-A594 PolarHBondContact O-N 2.88Å; A594-K597 PolarHBondContact O-N 3.3Å; A594-H598 WeakPolarHBondContact O-CB 3.4Å; A594-H598 PolarHBondContact O-CD2 3.19Å; A594-H598 PolarHBondContact O-N 2.89Å
595I87.9Confident87.2Confident43 Ų4390.1 Ų90.122%0.22146%0.46CS..Hα-helixtrans-59.3-50.3175.4-65168.1000110A591 A592 H598 R599 L600 Y602 I614A591-I595 WeakPolarHBondContact O-CG1 3.49Å; A591-I595 PolarHBondContact O-N 2.73Å; A592-I595 WeakPolarHBondContact O-CB 3.46Å; A592-I595 PolarHBondContact O-N 2.68Å; A592-I595 VanDerWaalsContact O-N 3.13Å; I595-H598 CarbonylContact O-C 3.53Å; I595-H598 PolarHBondContact O-N 3.26Å; I595-R599 WeakPolarHBondContact O-CA 3.45Å; I595-R599 PolarHBondContact O-N 3.42Å; I595-L600 HydrophobicContact CG1-CD1 4.29Å; I595-L600 HydrophobicContact CG2-CB 3.99Å; I595-L600 PolarHBondContact O-N 3.5Å; I595-Y602 HydrophobicContact CG2-CD1 3.57Å; I595-Y602 HydrophobicContact CG2-CE1 4.22Å; I595-Y602 HydrophobicContact CG2-CG 4.15Å; I595-I614 HydrophobicContact CD1-CD1 3.66Å; I595-I614 HydrophobicContact CD1-CG1 4.16Å; I595-I614 HydrophobicContact CG2-CD1 4.29Å; I595-I614 HydrophobicContact CG2-CG2 4.22Å
596E83.8Confident87.6Confident64 Ų6491.2 Ų91.230%0.29947%0.465SS..Hα-helixtrans-56.9-53.8175-92-103.5139.900112R562 A592 H598 R599 I614 H617R562-E596 IonicContact NH2-OE2 3.97Å; A592-E596 PolarHBondContact O-N 2.52Å; E596-H598 VanDerWaalsContact C-N 3.28Å; E596-H598 PolarHBondContact O-N 3.34Å; E596-R599 PolarHBondContact O-N 2.87Å; E596-I614 HydrophobicContact CG-CG2 4.17Å; E596-H617 WeakPolarHBondContact CG-OXT 3.28Å
597K86.4Confident87.9Confident166 Ų16691 Ų9172%0.72247%0.467SS*.Hα-helixtrans-58.5-39.2-178.5-179.6179.4178.9-178.50112.5R593 A594R593-K597 WeakPolarHBondContact O-CB 3.35Å; R593-K597 PolarHBondContact O-N 2.85Å; A594-K597 PolarHBondContact O-N 3.3Å
598H91.4Very high88Confident125 Ų12591.7 Ų91.758%0.57947%0.466SS*.THydrogen-bonded Turntrans-93.63.3-179.6-68.2-71.1000113.5A594 I595 E596 L600A594-H598 WeakPolarHBondContact O-CB 3.4Å; A594-H598 PolarHBondContact O-CD2 3.19Å; A594-H598 PolarHBondContact O-N 2.89Å; I595-H598 CarbonylContact O-C 3.53Å; I595-H598 PolarHBondContact O-N 3.26Å; E596-H598 VanDerWaalsContact C-N 3.28Å; E596-H598 PolarHBondContact O-N 3.34Å; H598-L600 HydrophobicContact CB-CD2 4.16Å; H598-L600 HydrophobicContact CB-CG 4Å; H598-L600 PolarHBondContact O-N 2.95Å
599R87.8Confident87.9Confident229 Ų22993.1 Ų93.186%0.86447%0.472SS*.THydrogen-bonded Turntrans50.740.4-179.6-57.1-177.8-180-178.6-1.2112.7I595 E596I595-R599 WeakPolarHBondContact O-CA 3.45Å; I595-R599 PolarHBondContact O-N 3.42Å; E596-R599 PolarHBondContact O-N 2.87Å
600L91.6Very high87.9Confident90 Ų9098.6 Ų98.647%0.47150%0.499SS..  trans-68.7137179.6-59.3179.9000109.1I595 H598 Y602I595-L600 HydrophobicContact CG1-CD1 4.29Å; I595-L600 HydrophobicContact CG2-CB 3.99Å; I595-L600 PolarHBondContact O-N 3.5Å; H598-L600 HydrophobicContact CB-CD2 4.16Å; H598-L600 HydrophobicContact CB-CG 4Å; H598-L600 PolarHBondContact O-N 2.95Å; L600-Y602 WeakPolarHBondContact O-CD1 3.47Å; L600-Y602 PolarHBondContact O-N 3.31Å
601P88.3Confident88Confident110 Ų11095.9 Ų95.971%0.71448%0.484SS*.  trans-70.6125.717628.8-32.6000109.6L605P601-L605 HydrophobicContact CB-CD1 4.27Å
602Y89.4Confident87.8Confident24 Ų2496 Ų969%0.09449%0.485CS..  trans-134.3-22.8178.968.1-89.4000113.8I595 L600 G604 L605 I606 E611 I614 E615I595-Y602 HydrophobicContact CG2-CD1 3.57Å; I595-Y602 HydrophobicContact CG2-CE1 4.22Å; I595-Y602 HydrophobicContact CG2-CG 4.15Å; L600-Y602 WeakPolarHBondContact O-CD1 3.47Å; L600-Y602 PolarHBondContact O-N 3.31Å; Y602-G604 PolarHBondContact O-N 3.29Å; Y602-L605 WeakPolarHBondContact O-CB 3.43Å; Y602-L605 PolarHBondContact O-N 3.32Å; Y602-L605 VanDerWaalsContact O-N 3.07Å; Y602-I606 HydrophobicContact CD2-CD1 4.02Å; Y602-I606 HydrophobicContact CG-CD1 4.49Å; Y602-I606 PolarHBondContact O-N 2.91Å; Y602-E611 HydrophobicContact CD2-CB 4.35Å; Y602-E611 HydrophobicContact CD2-CG 4.04Å; Y602-E611 HydrophobicContact CE2-CB 4.16Å; Y602-E611 HydrophobicContact CE2-CG 4.31Å; Y602-I614 HydrophobicContact CD1-CD1 4.42Å; Y602-I614 HydrophobicContact CD1-CG2 4.25Å; Y602-I614 HydrophobicContact CD2-CB 4.33Å; Y602-I614 HydrophobicContact CD2-CD1 3.59Å; Y602-I614 HydrophobicContact CD2-CG2 4.37Å; Y602-I614 HydrophobicContact CE1-CG2 3.75Å; Y602-I614 HydrophobicContact CE2-CB 3.89Å; Y602-I614 HydrophobicContact CE2-CD1 4.05Å; Y602-I614 HydrophobicContact CE2-CG2 3.86Å; Y602-I614 HydrophobicContact CG-CD1 3.81Å; Y602-E615 WeakPolarHBondContact OH-CG 3.22Å
603R88.9Confident87.7Confident151 Ų15198.1 Ų98.157%0.5749%0.494SS*.THydrogen-bonded Turntrans-63.8129.4-179.6-64.3175.3-178.7-82.9-7.4112.4L605 E611 E615R603-L605 PolarHBondContact O-N 3.39Å; R603-E611 WeakPolarHBondContact CA-OE1 3.48Å; R603-E615 IonicContact CZ-OE1 3.03Å; R603-E615 IonicContact NH1-OE1 2.62Å; R603-E615 PolarHBondContact NH1-OE1 2.98Å; R603-E615 IonicContact NH2-OE1 2.71Å; R603-E615 PolarHBondContact NH2-OE1 2.99Å
604G89.1Confident87.8Confident72 Ų7292.9 Ų92.974%0.74248%0.475SS*.THydrogen-bonded Turntrans69.63.2-173.500000114.8Y602 E611Y602-G604 PolarHBondContact O-N 3.29Å; G604-E611 WeakPolarHBondContact CA-OE1 3.43Å; G604-E611 PolarHBondContact N-OE1 3.42Å
605L90.4Very high87.6Confident126 Ų12694.3 Ų94.366%0.6647%0.474SS*.THydrogen-bonded Turntrans-109.2-17.5-176-59.5176.3000112.9P601 Y602 R603P601-L605 HydrophobicContact CB-CD1 4.27Å; Y602-L605 WeakPolarHBondContact O-CB 3.43Å; Y602-L605 PolarHBondContact O-N 3.32Å; Y602-L605 VanDerWaalsContact O-N 3.07Å; R603-L605 PolarHBondContact O-N 3.39Å
606I90.6Very high87.4Confident65 Ų6593 Ų9333%0.33347%0.468SS..SBendtrans-128.1178.6178.266.7-178.1000109.4Y602 M610 E611 I614Y602-I606 HydrophobicContact CD2-CD1 4.02Å; Y602-I606 HydrophobicContact CG-CD1 4.49Å; Y602-I606 PolarHBondContact O-N 2.91Å; I606-M610 HydrophobicContact CB-CB 4.37Å; I606-M610 HydrophobicContact CD1-CB 3.56Å; I606-M610 HydrophobicContact CG1-CB 3.98Å; I606-E611 HydrophobicContact CD1-CG 4.03Å; I606-E611 HydrophobicContact CG1-CG 3.53Å; I606-I614 HydrophobicContact CD1-CD1 3.51Å
607S90.1Very high87.3Confident57 Ų5790.5 Ų90.540%0.39946%0.456SS..  trans-68.7149.2177.161.90000111.5E609 M610 E611S607-E609 PolarHBondContact O-N 2.77Å; S607-E609 VanDerWaalsContact O-N 3.14Å; S607-M610 PolarHBondContact O-N 3.14Å; S607-M610 WeakPolarHBondContact OG-CG 3.32Å; S607-M610 PolarHBondContact OG-N 3.16Å; S607-E611 PolarHBondContact O-N 3.48Å
608E87.3Confident87.3Confident168 Ų16886.8 Ų86.879%0.78544%0.443SS*.Hα-helixtrans-53.5-35.1177-66.3-178.4171.200112.5E611 A612E608-E611 PolarHBondContact O-N 3.08Å; E608-A612 WeakPolarHBondContact O-CB 3.37Å; E608-A612 PolarHBondContact O-N 3.42Å
609E84.1Confident87.1Confident166 Ų16684.7 Ų84.778%0.77644%0.436SS*.Hα-helixtrans-62-42.1175.1-65.1177.5175.400112.5S607 F613S607-E609 PolarHBondContact O-N 2.77Å; S607-E609 VanDerWaalsContact O-N 3.14Å; E609-F613 WeakPolarHBondContact O-CB 3.49Å; E609-F613 PolarHBondContact O-N 3.47Å
610M84.8Confident87.1Confident116 Ų11676.7 Ų76.757%0.57141%0.412SS*.Hα-helixtrans-74.3-32177.7-68-178.1123.100111.7I606 S607 F613 I614I606-M610 HydrophobicContact CB-CB 4.37Å; I606-M610 HydrophobicContact CD1-CB 3.56Å; I606-M610 HydrophobicContact CG1-CB 3.98Å; S607-M610 PolarHBondContact O-N 3.14Å; S607-M610 WeakPolarHBondContact OG-CG 3.32Å; S607-M610 PolarHBondContact OG-N 3.16Å; M610-F613 PolarHBondContact O-N 3.36Å; M610-I614 VanDerWaalsContact O-CG1 3.29Å; M610-I614 WeakPolarHBondContact O-CG1 3.44Å; M610-I614 PolarHBondContact O-N 3.3Å
611E87.7Confident86.8Confident29 Ų2975.9 Ų75.914%0.13641%0.408CS..Hα-helixtrans-63.6-49.1172.6-62.3-168.2-169.500111.2Y602 R603 G604 I606 S607 E608 F613 I614 E615Y602-E611 HydrophobicContact CD2-CB 4.35Å; Y602-E611 HydrophobicContact CD2-CG 4.04Å; Y602-E611 HydrophobicContact CE2-CB 4.16Å; Y602-E611 HydrophobicContact CE2-CG 4.31Å; R603-E611 WeakPolarHBondContact CA-OE1 3.48Å; G604-E611 WeakPolarHBondContact CA-OE1 3.43Å; G604-E611 PolarHBondContact N-OE1 3.42Å; I606-E611 HydrophobicContact CD1-CG 4.03Å; I606-E611 HydrophobicContact CG1-CG 3.53Å; S607-E611 PolarHBondContact O-N 3.48Å; E608-E611 PolarHBondContact O-N 3.08Å; E611-F613 VanDerWaalsContact C-N 3.26Å; E611-F613 PolarHBondContact O-N 3.29Å; E611-I614 PolarHBondContact O-N 3.15Å; E611-I614 VanDerWaalsContact O-N 3.09Å; E611-E615 WeakPolarHBondContact O-CG 3.13Å; E611-E615 PolarHBondContact O-N 3.19Å
612A83.3Confident86.7Confident55 Ų5573.8 Ų73.846%0.45539%0.389SS..Hα-helixtrans-59.7-38.5176.900000111.8E608 E615 L616E608-A612 WeakPolarHBondContact O-CB 3.37Å; E608-A612 PolarHBondContact O-N 3.42Å; A612-E615 PolarHBondContact O-N 3.1Å; A612-L616 PolarHBondContact O-N 2.85Å
613F86.1Confident86.6Confident47 Ų4777.1 Ų77.121%0.20641%0.409CS..Hα-helixtrans-63.2-42.5173.8-175.5-86.8000112.3H554 Q588 A592 E609 M610 E611 L616 H617H554-F613 AromaticContact CE1-CE2 3.39Å; H554-F613 WeakPolarHBondContact CE1-CE2 3.15Å; H554-F613 AromaticContact CE1-CZ 3.93Å; H554-F613 AromaticContact NE2-CE2 3.55Å; Q588-F613 HydrophobicContact CB-CE1 3.95Å; Q588-F613 HydrophobicContact CB-CZ 3.71Å; A592-F613 HydrophobicContact CB-CD1 3.99Å; A592-F613 HydrophobicContact CB-CE1 3.83Å; E609-F613 WeakPolarHBondContact O-CB 3.49Å; E609-F613 PolarHBondContact O-N 3.47Å; M610-F613 PolarHBondContact O-N 3.36Å; E611-F613 VanDerWaalsContact C-N 3.26Å; E611-F613 PolarHBondContact O-N 3.29Å; F613-L616 WeakPolarHBondContact O-CB 3.43Å; F613-L616 PolarHBondContact O-N 3.22Å; F613-H617 AromaticContact CE1-CE1 3.63Å; F613-H617 AromaticContact CE1-ND1 3.98Å; F613-H617 AromaticContact CE2-CE1 3.82Å; F613-H617 AromaticContact CZ-CE1 3.47Å; F613-H617 VanDerWaalsContact CZ-CE1 3.47Å; F613-H617 WeakPolarHBondContact CZ-CE1 3.41Å; F613-H617 PolarHBondContact O-ND1 3.25Å
614I85.4Confident86.4Confident7 Ų771.9 Ų71.94%0.03640%0.398CS..Hα-helixtrans-65.9-43.9176.4-66162.2000110.4A592 I595 E596 Y602 I606 M610 E611 L616 H617A592-I614 HydrophobicContact CB-CB 4.47Å; A592-I614 HydrophobicContact CB-CG1 4.1Å; I595-I614 HydrophobicContact CD1-CD1 3.66Å; I595-I614 HydrophobicContact CD1-CG1 4.16Å; I595-I614 HydrophobicContact CG2-CD1 4.29Å; I595-I614 HydrophobicContact CG2-CG2 4.22Å; E596-I614 HydrophobicContact CG-CG2 4.17Å; Y602-I614 HydrophobicContact CD1-CD1 4.42Å; Y602-I614 HydrophobicContact CD1-CG2 4.25Å; Y602-I614 HydrophobicContact CD2-CB 4.33Å; Y602-I614 HydrophobicContact CD2-CD1 3.59Å; Y602-I614 HydrophobicContact CD2-CG2 4.37Å; Y602-I614 HydrophobicContact CE1-CG2 3.75Å; Y602-I614 HydrophobicContact CE2-CB 3.89Å; Y602-I614 HydrophobicContact CE2-CD1 4.05Å; Y602-I614 HydrophobicContact CE2-CG2 3.86Å; Y602-I614 HydrophobicContact CG-CD1 3.81Å; I606-I614 HydrophobicContact CD1-CD1 3.51Å; M610-I614 VanDerWaalsContact O-CG1 3.29Å; M610-I614 WeakPolarHBondContact O-CG1 3.44Å; M610-I614 PolarHBondContact O-N 3.3Å; E611-I614 PolarHBondContact O-N 3.15Å; E611-I614 VanDerWaalsContact O-N 3.09Å; I614-L616 PolarHBondContact O-N 3.43Å; I614-H617 PolarHBondContact O-N 3.28Å; I614-H617 VanDerWaalsContact O-N 3.16Å; I614-H617 VanDerWaalsContact O-OXT 3.05Å
615E84.7Confident86.2Confident70 Ų7071.8 Ų71.833%0.32737%0.371SS..Hα-helixtrans-65.7-19.2178.8-70.6-176.5156.200114.6R525 Y602 R603 E611 A612 H617R525-E615 PolarHBondContact NH1-O 2.88Å; Y602-E615 WeakPolarHBondContact OH-CG 3.22Å; R603-E615 IonicContact CZ-OE1 3.03Å; R603-E615 IonicContact NH1-OE1 2.62Å; R603-E615 PolarHBondContact NH1-OE1 2.98Å; R603-E615 IonicContact NH2-OE1 2.71Å; R603-E615 PolarHBondContact NH2-OE1 2.99Å; E611-E615 WeakPolarHBondContact O-CG 3.13Å; E611-E615 PolarHBondContact O-N 3.19Å; A612-E615 PolarHBondContact O-N 3.1Å; E615-H617 VanDerWaalsContact C-N 3.3Å
616L84Confident85.8Confident17 Ų1767.3 Ų67.39%0.08935%0.347CS..Hα-helixtrans-68.7-30.3175.1-176.763.4000112.1D523 T531 H554 A557 T558 A612 F613 I614D523-L616 HydrophobicContact CB-CD1 4.44Å; D523-L616 HydrophobicContact CB-CD2 4.25Å; T531-L616 HydrophobicContact CG2-CD1 4.26Å; H554-L616 HydrophobicContact CB-CD2 3.87Å; A557-L616 VanDerWaalsContact CA-O 3.27Å; A557-L616 WeakPolarHBondContact CA-O 3.25Å; A557-L616 HydrophobicContact CB-CD1 3.76Å; A557-L616 HydrophobicContact CB-CD2 4.5Å; A557-L616 HydrophobicContact CB-CG 3.82Å; T558-L616 PolarHBondContact N-O 3.32Å; A612-L616 PolarHBondContact O-N 2.85Å; F613-L616 WeakPolarHBondContact O-CB 3.43Å; F613-L616 PolarHBondContact O-N 3.22Å; I614-L616 PolarHBondContact O-N 3.43Å
617H82.1Confident85.4Confident11 Ų1167.5 Ų67.55%0.05135%0.348CS..  trans-104.80-172.3-61.281.6000110.9H554 D556 T558 C589 A592 R593 E596 F613 I614 E615H554-H617 AromaticContact ND1-CE1 3.9Å; H554-H617 AromaticContact ND1-NE2 3.64Å; D556-H617 VanDerWaalsContact CG-CD2 3.41Å; D556-H617 IonicContact OD1-CD2 3.98Å; D556-H617 PolarHBondContact OD1-CD2 3.19Å; D556-H617 IonicContact OD1-NE2 2.81Å; D556-H617 PolarHBondContact OD1-NE2 3.1Å; D556-H617 IonicContact OD2-CD2 3.35Å; D556-H617 PolarHBondContact OD2-CD2 3.36Å; D556-H617 IonicContact OD2-NE2 3.3Å; T558-H617 WeakPolarHBondContact CG2-O 3.25Å; T558-H617 PolarHBondContact OG1-O 2.68Å; C589-H617 PolarHBondContact SG-NE2 2.82Å; A592-H617 HydrophobicContact CB-CB 4.2Å; R593-H617 HydrophobicContact CG-CB 4.02Å; E596-H617 WeakPolarHBondContact CG-OXT 3.28Å; F613-H617 AromaticContact CE1-CE1 3.63Å; F613-H617 AromaticContact CE1-ND1 3.98Å; F613-H617 AromaticContact CE2-CE1 3.82Å; F613-H617 AromaticContact CZ-CE1 3.47Å; F613-H617 VanDerWaalsContact CZ-CE1 3.47Å; F613-H617 WeakPolarHBondContact CZ-CE1 3.41Å; F613-H617 PolarHBondContact O-ND1 3.25Å; I614-H617 PolarHBondContact O-N 3.28Å; I614-H617 VanDerWaalsContact O-N 3.16Å; I614-H617 VanDerWaalsContact O-OXT 3.05Å; E615-H617 VanDerWaalsContact C-N 3.3Å

Retrieved 617 of 617 residues in 312.4 ms (Link to these results)

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