A0A3Q0KIV8_SCHMA Loading...

Pcd6 interacting protein-related

AlphaFold DB , UniProt , Accession A0A3Q0KIV8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 697 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
1M57.4Low89.9Confident46 Ų4630.4 Ų30.423%0.22717%0.172CC..  0136.40-68.7-168.9-160.900107.6Y242 Y243 L277M1-Y242 HydrophobicContact CE-CD1 3.93Å; M1-Y242 HydrophobicContact CE-CE1 3.34Å; M1-Y243 HydrophobicContact CE-CE2 4.5Å; M1-L277 HydrophobicContact CE-CD1 4.05Å; M1-L277 HydrophobicContact CG-CD2 3.65Å
2T78.8Confident90.4Very high87 Ų8732.2 Ų32.253%0.53418%0.184SC..PPolyproline II helixtrans-87.3116.1174.7-480000108.6K239T2-K239 WeakPolarHBondContact O-CE 3.37Å
3F91.4Very high90.7Very high12 Ų1240.8 Ų40.85%0.05322%0.222CC..PPolyproline II helixtrans-78.4142.9169.6-76.8-84.8000110.7K125 L129 Y142 Q178 E181 L185F3-K125 HydrophobicContact CB-CG 4.28Å; F3-K125 WeakPolarHBondContact O-CD 3.43Å; F3-K125 WeakPolarHBondContact O-CE 3.4Å; F3-L129 HydrophobicContact CD2-CD1 4.12Å; F3-L129 HydrophobicContact CD2-CD2 4.18Å; F3-L129 HydrophobicContact CE2-CD1 3.66Å; F3-L129 HydrophobicContact CE2-CD2 3.52Å; F3-L129 HydrophobicContact CE2-CG 4.24Å; F3-L129 HydrophobicContact CZ-CD2 4.21Å; F3-Y142 VanDerWaalsContact CB-OH 3.29Å; F3-Y142 WeakPolarHBondContact CB-OH 3.45Å; F3-Y142 AromaticContact CD1-CE2 3.88Å; F3-Y142 HydrophobicContact CD1-CE2 3.88Å; F3-Y142 HydrophobicContact CE1-CE2 4.27Å; F3-Y142 HydrophobicContact CG-CE2 4.47Å; F3-Q178 HydrophobicContact CD1-CB 3.91Å; F3-Q178 HydrophobicContact CD1-CG 3.92Å; F3-Q178 HydrophobicContact CE1-CB 4.01Å; F3-Q178 HydrophobicContact CE1-CG 4.29Å; F3-E181 HydrophobicContact CE1-CB 4.07Å; F3-E181 HydrophobicContact CZ-CB 4.24Å; F3-L185 HydrophobicContact CE2-CD1 4.49Å; F3-L185 HydrophobicContact CZ-CD1 4.32Å
4L94.3Very high91Very high14 Ų1439.6 Ų39.67%0.07322%0.217CC..PPolyproline II helixtrans-96.6143.2-177.5-56.5176.8000109.5V174 Q178 W232 V235 I236L4-V174 HydrophobicContact CB-CG1 4.33Å; L4-V174 HydrophobicContact CD1-CG1 4.01Å; L4-Q178 PolarHBondContact O-NE2 2.8Å; L4-W232 HydrophobicContact CB-CD2 4.39Å; L4-W232 HydrophobicContact CB-CH2 4.41Å; L4-W232 HydrophobicContact CB-CZ2 3.91Å; L4-W232 HydrophobicContact CD1-CB 4.35Å; L4-W232 HydrophobicContact CD1-CD2 3.86Å; L4-W232 HydrophobicContact CD1-CE3 4.25Å; L4-W232 HydrophobicContact CD1-CG 3.89Å; L4-W232 HydrophobicContact CD2-CG 4.38Å; L4-V235 HydrophobicContact CD1-CB 4.43Å; L4-V235 HydrophobicContact CD1-CG1 4.16Å; L4-V235 HydrophobicContact CD2-CB 4.28Å; L4-V235 HydrophobicContact CD2-CG1 4Å; L4-V235 HydrophobicContact CD2-CG2 4.37Å; L4-V235 HydrophobicContact CG-CG1 4.24Å; L4-I236 HydrophobicContact CD1-CD1 4.26Å; L4-I236 HydrophobicContact CD1-CG1 3.98Å
5C94.8Very high91.2Very high18 Ų1842.9 Ų42.912%0.12223%0.234CC..  trans-138.7148.4176.457.10000109.5S121 N122 K125 W232C5-S121 WeakPolarHBondContact CB-O 3.42Å; C5-N122 HydrophobicContact CB-CB 4.45Å; C5-N122 PolarHBondContact SG-OD1 3.4Å; C5-K125 HydrophobicContact CB-CB 4.48Å; C5-K125 HydrophobicContact CB-CD 4.05Å; C5-K125 WeakPolarHBondContact SG-CD 3.3Å; C5-W232 WeakPolarHBondContact O-CZ2 3.18Å
6V96.1Very high91.5Very high0 Ų040.2 Ų40.20%022%0.219CC..PPolyproline II helixtrans-85.2130.6178.1-178.20000108.4I94 F114 A118 S121 N122 F149 F171 M175 W232V6-I94 HydrophobicContact CG1-CG2 4.5Å; V6-F114 HydrophobicContact CG1-CE1 4Å; V6-F114 HydrophobicContact CG1-CZ 3.68Å; V6-A118 HydrophobicContact CB-CB 4.28Å; V6-A118 HydrophobicContact CG1-CB 4.36Å; V6-S121 PolarHBondContact N-OG 2.98Å; V6-N122 PolarHBondContact O-ND2 2.88Å; V6-F149 HydrophobicContact CB-CE2 4.33Å; V6-F149 HydrophobicContact CB-CZ 3.84Å; V6-F149 HydrophobicContact CG1-CE1 4.5Å; V6-F149 HydrophobicContact CG1-CZ 3.96Å; V6-F149 HydrophobicContact CG2-CE2 3.79Å; V6-F149 HydrophobicContact CG2-CZ 3.69Å; V6-F171 HydrophobicContact CG1-CD2 4.17Å; V6-F171 HydrophobicContact CG1-CE2 3.93Å; V6-F171 HydrophobicContact CG1-CZ 4.14Å; V6-F171 HydrophobicContact CG2-CB 4.15Å; V6-F171 HydrophobicContact CG2-CD1 3.8Å; V6-F171 HydrophobicContact CG2-CD2 4.14Å; V6-F171 HydrophobicContact CG2-CE1 4.2Å; V6-F171 HydrophobicContact CG2-CG 3.77Å; V6-M175 HydrophobicContact CG2-CE 4.1Å; V6-W232 HydrophobicContact CG2-CH2 3.75Å; V6-W232 HydrophobicContact CG2-CZ2 4.35Å
7P94.7Very high91.7Very high40 Ų4040.6 Ų40.626%0.2622%0.22SC..PPolyproline II helixtrans-60143.1173.3-2233.3000111.6I94P7-I94 HydrophobicContact CB-CB 4.36Å
8L94.4Very high91.9Very high31 Ų3143.4 Ų43.416%0.16224%0.239CC..PPolyproline II helixtrans-70.7146.8171.6-70.589.5000109.6H96 A118 A119L8-H96 PolarHBondContact O-CE1 2.7Å; L8-A118 HydrophobicContact CG-CB 4.06Å; L8-A119 HydrophobicContact CD2-CB 4.19Å
9K95.4Very high92.1Very high4 Ų442.2 Ų42.22%0.01723%0.233CC..PPolyproline II helixtrans-78.9159.3169.2-61.5173.879.7163.40109.8W91 S92 I94 N111 F114 S160 D162K9-W91 HydrophobicContact CB-CE3 3.94Å; K9-W91 HydrophobicContact CB-CZ3 4.32Å; K9-S92 WeakPolarHBondContact CB-O 3.3Å; K9-S92 WeakPolarHBondContact CE-O 3.48Å; K9-S92 WeakPolarHBondContact CG-O 3.26Å; K9-I94 HydrophobicContact CG-CG2 4.3Å; K9-N111 VanDerWaalsContact CE-OD1 3.28Å; K9-N111 WeakPolarHBondContact CE-OD1 3.45Å; K9-N111 PolarHBondContact NZ-OD1 2.88Å; K9-F114 HydrophobicContact CD-CB 4.49Å; K9-F114 HydrophobicContact CD-CD1 3.46Å; K9-F114 VanDerWaalsContact CD-CD1 3.46Å; K9-F114 HydrophobicContact CD-CD2 4.38Å; K9-F114 HydrophobicContact CD-CE1 3.7Å; K9-F114 HydrophobicContact CD-CG 3.86Å; K9-F114 HydrophobicContact CD-CZ 4.24Å; K9-F114 HydrophobicContact CG-CD1 3.67Å; K9-F114 HydrophobicContact CG-CE1 3.61Å; K9-F114 HydrophobicContact CG-CZ 4.39Å; K9-S160 PolarHBondContact NZ-OG 3Å; K9-D162 WeakPolarHBondContact CD-OD2 3.35Å; K9-D162 WeakPolarHBondContact CE-OD2 3.37Å; K9-D162 IonicContact NZ-OD1 2.8Å; K9-D162 IonicContact NZ-OD2 3.88Å; K9-D162 PolarHBondContact NZ-OD2 2.93Å
10L95.2Very high92.2Very high73 Ų7340.1 Ų40.138%0.38222%0.222SC..  trans-109.7137.1175.1-65.1174.8000110.6W91 S92 H96L10-W91 WeakPolarHBondContact O-CA 3.35Å; L10-S92 PolarHBondContact N-OG 2.89Å; L10-S92 PolarHBondContact O-N 3.46Å; L10-H96 HydrophobicContact CD1-CB 4.32Å; L10-H96 WeakPolarHBondContact CD1-ND1 3.32Å; L10-H96 VanDerWaalsContact CG-CE1 3.42Å; L10-H96 WeakPolarHBondContact CG-CE1 3.36Å; L10-H96 WeakPolarHBondContact CG-ND1 3.28Å
11S96Very high92.3Very high9 Ų941.7 Ų41.76%0.06323%0.226CC..BIsolated β-bridgetrans-103.5161.8171.2-163.30000111R47 F52 N90S11-R47 PolarHBondContact OG-NH2 3.14Å; S11-F52 VanDerWaalsContact O-CE1 3.3Å; S11-F52 WeakPolarHBondContact O-CE1 3.46Å; S11-F52 WeakPolarHBondContact O-CZ 3.06Å; S11-N90 WeakPolarHBondContact CA-O 3.22Å; S11-N90 PolarHBondContact OG-O 2.94Å
12T95.8Very high94Very high52 Ų5247.4 Ų47.432%0.31925%0.25SS..PPolyproline II helixtrans-95.7163.5165.565.30000111.3R47 N90 Y99T12-R47 PolarHBondContact O-NH1 3.22Å; T12-N90 VanDerWaalsContact CG2-ND2 3.3Å; T12-N90 WeakPolarHBondContact CG2-ND2 3.28Å; T12-N90 PolarHBondContact N-O 3.24Å; T12-N90 WeakPolarHBondContact OG1-CB 3.44Å; T12-N90 PolarHBondContact OG1-ND2 3.4Å; T12-Y99 HydrophobicContact CG2-CE1 4.21Å
13E94.5Very high94.6Very high145 Ų14544.4 Ų44.468%0.67823%0.23SC*.PPolyproline II helixtrans-62.5141.6169.7-67.3-175.7177.600110.1F52E13-F52 HydrophobicContact CG-CE2 3.95Å; E13-F52 HydrophobicContact CG-CZ 4Å
14V94.8Very high94.5Very high24 Ų2443.9 Ų43.915%0.14523%0.227CC..  trans-139.8124.9-178.2178.30000107.5V16 I87 W89V14-V16 HydrophobicContact CG1-CG1 4.29Å; V14-V16 PolarHBondContact O-N 3.45Å; V14-I87 HydrophobicContact CG1-CG2 3.67Å; V14-W89 HydrophobicContact CG1-CE3 4.25Å; V14-W89 HydrophobicContact CG1-CZ3 4.29Å
15D95.2Very high94.3Very high88 Ų8845.1 Ų45.147%0.47124%0.236SC..  trans-74108.1170.4176.918.1000109.7I17 T18 P19D15-I17 PolarHBondContact OD1-N 3.1Å; D15-T18 PolarHBondContact OD1-N 3.36Å; D15-T18 WeakPolarHBondContact OD2-CB 3.26Å; D15-T18 PolarHBondContact OD2-OG1 3.33Å; D15-P19 WeakPolarHBondContact O-CD 3.22Å; D15-P19 VanDerWaalsContact O-CG 3.28Å; D15-P19 WeakPolarHBondContact O-CG 3.35Å
16V94.9Very high93.9Very high0 Ų047.6 Ų47.60%026%0.264CS..  trans-94.2-20.7174.6-62.90000112.1V14 L20 F43 I87 W89V14-V16 HydrophobicContact CG1-CG1 4.29Å; V14-V16 PolarHBondContact O-N 3.45Å; V16-L20 HydrophobicContact CB-CD1 4.15Å; V16-L20 WeakPolarHBondContact O-CB 3.44Å; V16-L20 VanDerWaalsContact O-CD1 3.27Å; V16-L20 WeakPolarHBondContact O-CD1 3.49Å; V16-L20 WeakPolarHBondContact O-CG 3.34Å; V16-L20 PolarHBondContact O-N 3.49Å; V16-F43 HydrophobicContact CB-CD1 4.17Å; V16-F43 HydrophobicContact CB-CE1 3.92Å; V16-F43 HydrophobicContact CG1-CE1 4.09Å; V16-F43 HydrophobicContact CG2-CD1 3.71Å; V16-F43 HydrophobicContact CG2-CE1 3.91Å; V16-I87 HydrophobicContact CG1-CG2 4.39Å; V16-W89 HydrophobicContact CG1-CH2 3.81Å; V16-W89 HydrophobicContact CG1-CZ3 3.74Å
17I95.2Very high93.3Very high47 Ų4752.9 Ų52.924%0.24129%0.287CS..Hα-helixtrans-74.4-52.8-168.9-59.7176.5000110.1D15 K21 L40 K41D15-I17 PolarHBondContact OD1-N 3.1Å; I17-K21 VanDerWaalsContact O-CB 3.22Å; I17-K21 WeakPolarHBondContact O-CB 3.4Å; I17-K21 PolarHBondContact O-N 3.48Å; I17-L40 HydrophobicContact CG1-CB 4.45Å; I17-L40 HydrophobicContact CG2-CB 4.26Å; I17-K41 HydrophobicContact CD1-CG 4.1Å
18T95.4Very high92.7Very high91 Ų9153.1 Ų53.156%0.55828%0.284SS*.Hα-helixtrans-59.5-53.2-177.2-50.20000112.9D15 K21 K22D15-T18 PolarHBondContact OD1-N 3.36Å; D15-T18 WeakPolarHBondContact OD2-CB 3.26Å; D15-T18 PolarHBondContact OD2-OG1 3.33Å; T18-K21 PolarHBondContact O-N 2.97Å; T18-K22 WeakPolarHBondContact O-CB 3.24Å; T18-K22 PolarHBondContact O-N 3.37Å
19P95.1Very high92.1Very high20 Ų2053 Ų5313%0.1329%0.291CS..Hα-helixtrans-64.7-42.3179.822-32.8000113.1D15 K22 F23 L85 I87D15-P19 WeakPolarHBondContact O-CD 3.22Å; D15-P19 VanDerWaalsContact O-CG 3.28Å; D15-P19 WeakPolarHBondContact O-CG 3.35Å; P19-K22 PolarHBondContact O-N 3.46Å; P19-F23 PolarHBondContact O-N 2.86Å; P19-L85 WeakPolarHBondContact CB-O 3.43Å; P19-I87 HydrophobicContact CB-CD1 4.38Å; P19-I87 HydrophobicContact CB-CG1 3.66Å; P19-I87 HydrophobicContact CG-CD1 4.12Å; P19-I87 HydrophobicContact CG-CG1 3.39Å
20L94.3Very high91.7Very high0 Ų057.9 Ų57.90%031%0.313CS..Hα-helixtrans-65.4-42.9177.4-70.7174.9000111.6V16 K22 F23 I24 L40 F43 L75 L79 L85 I87 F105V16-L20 HydrophobicContact CB-CD1 4.15Å; V16-L20 WeakPolarHBondContact O-CB 3.44Å; V16-L20 VanDerWaalsContact O-CD1 3.27Å; V16-L20 WeakPolarHBondContact O-CD1 3.49Å; V16-L20 WeakPolarHBondContact O-CG 3.34Å; V16-L20 PolarHBondContact O-N 3.49Å; L20-K22 VanDerWaalsContact C-N 3.32Å; L20-K22 PolarHBondContact O-N 3.44Å; L20-F23 PolarHBondContact O-N 3.28Å; L20-I24 WeakPolarHBondContact O-CB 3.24Å; L20-I24 WeakPolarHBondContact O-CG1 3.26Å; L20-I24 PolarHBondContact O-N 3Å; L20-L40 HydrophobicContact CB-CD1 4.28Å; L20-L40 HydrophobicContact CB-CD2 3.58Å; L20-L40 HydrophobicContact CD1-CD2 3.59Å; L20-L40 HydrophobicContact CG-CD2 4.22Å; L20-F43 HydrophobicContact CD1-CD1 3.97Å; L20-F43 HydrophobicContact CD1-CE1 3.84Å; L20-L75 HydrophobicContact CD1-CD2 3.83Å; L20-L75 HydrophobicContact CD2-CD2 4.36Å; L20-L79 HydrophobicContact CD2-CD1 3.67Å; L20-L85 HydrophobicContact CD2-CD1 3.94Å; L20-I87 HydrophobicContact CD1-CD1 4.48Å; L20-I87 HydrophobicContact CD2-CD1 3.8Å; L20-I87 HydrophobicContact CG-CD1 3.79Å; L20-F105 HydrophobicContact CD2-CZ 4.22Å
21K93.7Very high90.9Very high74 Ų7458.2 Ų58.232%0.32232%0.322SS..Hα-helixtrans-58.5-46175.3-177.1-177.4175.4-176.10110.7I17 T18 F23 I24 T25 A33 L40I17-K21 VanDerWaalsContact O-CB 3.22Å; I17-K21 WeakPolarHBondContact O-CB 3.4Å; I17-K21 PolarHBondContact O-N 3.48Å; T18-K21 PolarHBondContact O-N 2.97Å; K21-F23 PolarHBondContact O-N 3.25Å; K21-I24 PolarHBondContact O-N 2.72Å; K21-T25 WeakPolarHBondContact O-CB 3.33Å; K21-T25 PolarHBondContact O-N 3.28Å; K21-T25 PolarHBondContact O-OG1 3.11Å; K21-A33 HydrophobicContact CG-CB 4.48Å; K21-L40 HydrophobicContact CB-CD1 3.97Å
22K93.7Very high90.2Very high167 Ų16758 Ų5873%0.72632%0.321SS*.Hα-helixtrans-59.7-46177.8-175.5-175.6178.2-174.20111.5T18 P19 L20 T25 G26T18-K22 WeakPolarHBondContact O-CB 3.24Å; T18-K22 PolarHBondContact O-N 3.37Å; P19-K22 PolarHBondContact O-N 3.46Å; L20-K22 VanDerWaalsContact C-N 3.32Å; L20-K22 PolarHBondContact O-N 3.44Å; K22-T25 PolarHBondContact O-N 2.81Å; K22-G26 PolarHBondContact O-N 2.94Å
23F91.1Very high89.8Confident24 Ų2455.6 Ų55.611%0.10531%0.305CS..Hα-helixtrans-63.8-46.9177.2179.8-92.9000112.1P19 L20 K21 T25 G26 K27 F28 L79 T81 L85P19-F23 PolarHBondContact O-N 2.86Å; L20-F23 PolarHBondContact O-N 3.28Å; K21-F23 PolarHBondContact O-N 3.25Å; F23-T25 VanDerWaalsContact C-N 3.28Å; F23-T25 PolarHBondContact O-N 3.28Å; F23-G26 PolarHBondContact O-N 2.8Å; F23-G26 VanDerWaalsContact O-N 3.1Å; F23-K27 HydrophobicContact CD1-CG 4.48Å; F23-K27 HydrophobicContact CD2-CG 4.37Å; F23-K27 HydrophobicContact CE1-CB 4.32Å; F23-K27 HydrophobicContact CE1-CD 4.12Å; F23-K27 HydrophobicContact CE1-CG 3.98Å; F23-K27 HydrophobicContact CE2-CD 3.87Å; F23-K27 VanDerWaalsContact CE2-CE 3.43Å; F23-K27 HydrophobicContact CE2-CG 3.89Å; F23-K27 HydrophobicContact CZ-CB 4.47Å; F23-K27 HydrophobicContact CZ-CD 3.47Å; F23-K27 VanDerWaalsContact CZ-CD 3.47Å; F23-K27 HydrophobicContact CZ-CG 3.68Å; F23-K27 PolarHBondContact O-N 3.31Å; F23-F28 HydrophobicContact CE1-CE2 4.35Å; F23-L79 HydrophobicContact CD1-CD2 3.79Å; F23-L79 HydrophobicContact CE1-CB 3.99Å; F23-L79 HydrophobicContact CE1-CD2 3.7Å; F23-L79 HydrophobicContact CE1-CG 4.32Å; F23-T81 HydrophobicContact CE1-CG2 4.3Å; F23-T81 HydrophobicContact CE2-CG2 3.78Å; F23-T81 HydrophobicContact CZ-CG2 3.5Å; F23-L85 HydrophobicContact CB-CD2 4.19Å; F23-L85 HydrophobicContact CD2-CD2 3.2Å; F23-L85 HydrophobicContact CE2-CD2 3.55Å; F23-L85 HydrophobicContact CG-CD2 3.72Å; F23-L85 HydrophobicContact CZ-CD2 4.35Å
24I89.8Confident89.4Confident0 Ų052.2 Ų52.20%030%0.295CS..Hα-helixtrans-62.3-41-180-66.7165.9000110.2L20 K21 G26 K27 F28 G29 V32 A33 C36 L40 L79 L330L20-I24 WeakPolarHBondContact O-CB 3.24Å; L20-I24 WeakPolarHBondContact O-CG1 3.26Å; L20-I24 PolarHBondContact O-N 3Å; K21-I24 PolarHBondContact O-N 2.72Å; I24-G26 VanDerWaalsContact C-N 3.32Å; I24-G26 PolarHBondContact O-N 3.49Å; I24-K27 PolarHBondContact O-N 3.03Å; I24-F28 HydrophobicContact CB-CD2 4.38Å; I24-F28 HydrophobicContact CG2-CB 4.2Å; I24-F28 HydrophobicContact CG2-CD2 4.05Å; I24-F28 HydrophobicContact CG2-CG 4.49Å; I24-F28 WeakPolarHBondContact O-CA 3.45Å; I24-F28 WeakPolarHBondContact O-CB 3.3Å; I24-F28 PolarHBondContact O-N 3.33Å; I24-G29 PolarHBondContact O-N 3.31Å; I24-V32 HydrophobicContact CG2-CG1 4.17Å; I24-A33 HydrophobicContact CB-CB 4.41Å; I24-A33 HydrophobicContact CG2-CB 3.95Å; I24-C36 HydrophobicContact CD1-CB 4.42Å; I24-L40 HydrophobicContact CD1-CD1 4.29Å; I24-L40 HydrophobicContact CD1-CD2 4.19Å; I24-L79 HydrophobicContact CG1-CD2 4.29Å; I24-L330 HydrophobicContact CD1-CD1 4.18Å; I24-L330 HydrophobicContact CD1-CD2 4.48Å; I24-L330 HydrophobicContact CG1-CD1 4.05Å; I24-L330 HydrophobicContact CG2-CD1 3.87Å
25T90.2Very high88.8Confident41 Ų4155.6 Ų55.625%0.25231%0.309SS..Hα-helixtrans-58.9-45.1174.2-55.70000111.2K21 K22 F23 G29 E30 A33K21-T25 WeakPolarHBondContact O-CB 3.33Å; K21-T25 PolarHBondContact O-N 3.28Å; K21-T25 PolarHBondContact O-OG1 3.11Å; K22-T25 PolarHBondContact O-N 2.81Å; F23-T25 VanDerWaalsContact C-N 3.28Å; F23-T25 PolarHBondContact O-N 3.28Å; T25-G29 WeakPolarHBondContact O-CA 3.25Å; T25-G29 PolarHBondContact O-N 2.9Å; T25-E30 WeakPolarHBondContact CG2-OE2 3.45Å; T25-A33 WeakPolarHBondContact OG1-CB 3.12Å
26G87.2Confident88.5Confident69 Ų6951.5 Ų51.571%0.71129%0.287SS*.Hα-helixtrans-68.6-37.8-179.900000114.5K22 F23 I24K22-G26 PolarHBondContact O-N 2.94Å; F23-G26 PolarHBondContact O-N 2.8Å; F23-G26 VanDerWaalsContact O-N 3.1Å; I24-G26 VanDerWaalsContact C-N 3.32Å; I24-G26 PolarHBondContact O-N 3.49Å
27K83.4Confident88.3Confident111 Ų11153.4 Ų53.448%0.48330%0.297SS..Hα-helixtrans-96-32.1-175.8-67.4-129.5178.9171.50114.6F23 I24 E83F23-K27 HydrophobicContact CD1-CG 4.48Å; F23-K27 HydrophobicContact CD2-CG 4.37Å; F23-K27 HydrophobicContact CE1-CB 4.32Å; F23-K27 HydrophobicContact CE1-CD 4.12Å; F23-K27 HydrophobicContact CE1-CG 3.98Å; F23-K27 HydrophobicContact CE2-CD 3.87Å; F23-K27 VanDerWaalsContact CE2-CE 3.43Å; F23-K27 HydrophobicContact CE2-CG 3.89Å; F23-K27 HydrophobicContact CZ-CB 4.47Å; F23-K27 HydrophobicContact CZ-CD 3.47Å; F23-K27 VanDerWaalsContact CZ-CD 3.47Å; F23-K27 HydrophobicContact CZ-CG 3.68Å; F23-K27 PolarHBondContact O-N 3.31Å; I24-K27 PolarHBondContact O-N 3.03Å; K27-E83 IonicContact NZ-OE1 3.72Å; K27-E83 IonicContact NZ-OE2 3.44Å; K27-E83 PolarHBondContact NZ-OE2 2.89Å
28F82.1Confident88.2Confident45 Ų4557 Ų5720%0.19731%0.313CS..Hα-helixtrans-118.2-7.9-174.3-54.9-91.3000113.5F23 I24 V32 L79 L330F23-F28 HydrophobicContact CE1-CE2 4.35Å; I24-F28 HydrophobicContact CB-CD2 4.38Å; I24-F28 HydrophobicContact CG2-CB 4.2Å; I24-F28 HydrophobicContact CG2-CD2 4.05Å; I24-F28 HydrophobicContact CG2-CG 4.49Å; I24-F28 WeakPolarHBondContact O-CA 3.45Å; I24-F28 WeakPolarHBondContact O-CB 3.3Å; I24-F28 PolarHBondContact O-N 3.33Å; F28-V32 HydrophobicContact CB-CB 3.91Å; F28-V32 HydrophobicContact CB-CG1 3.85Å; F28-V32 HydrophobicContact CB-CG2 4.25Å; F28-V32 WeakPolarHBondContact O-CG2 3.21Å; F28-L79 HydrophobicContact CE2-CD2 4.46Å; F28-L330 HydrophobicContact CD1-CD1 4.38Å; F28-L330 HydrophobicContact CD2-CD1 3.89Å; F28-L330 HydrophobicContact CE1-CD1 4.42Å; F28-L330 HydrophobicContact CE2-CD1 3.93Å; F28-L330 HydrophobicContact CG-CD1 4.13Å; F28-L330 HydrophobicContact CZ-CD1 4.2Å; F28-L330 HydrophobicContact CZ-CG 4.44Å
29G81.8Confident88Confident30 Ų3053.8 Ų53.831%0.30929%0.294SS..  trans89.9162.9179.200000114.5I24 T25 S31 V32 A33I24-G29 PolarHBondContact O-N 3.31Å; T25-G29 WeakPolarHBondContact O-CA 3.25Å; T25-G29 PolarHBondContact O-N 2.9Å; G29-S31 VanDerWaalsContact C-N 3.33Å; G29-S31 PolarHBondContact O-N 3.05Å; G29-V32 PolarHBondContact O-N 3.38Å; G29-A33 PolarHBondContact O-N 2.68Å; G29-A33 VanDerWaalsContact O-N 3.07Å
30E85.5Confident88Confident105 Ų10552.9 Ų52.949%0.49129%0.288SS..Hα-helixtrans-62.8-35-174-17165.3-150.800113.2T25 A33 T34T25-E30 WeakPolarHBondContact CG2-OE2 3.45Å; E30-A33 PolarHBondContact O-N 3.33Å; E30-T34 WeakPolarHBondContact O-CB 3.35Å; E30-T34 PolarHBondContact O-N 3.44Å; E30-T34 PolarHBondContact O-OG1 3.35Å
31S79.1Confident88.1Confident81 Ų8157.4 Ų57.457%0.56631%0.308SS*.Hα-helixtrans-63.5-46.4179.8-175.80000111.7G29 T34 Q35G29-S31 VanDerWaalsContact C-N 3.33Å; G29-S31 PolarHBondContact O-N 3.05Å; S31-T34 PolarHBondContact O-N 3.11Å; S31-Q35 WeakPolarHBondContact O-CG 3.37Å; S31-Q35 PolarHBondContact O-N 3.47Å
32V81.7Confident88.1Confident5 Ų559.2 Ų59.23%0.0332%0.316CS..Hα-helixtrans-67.3-43.3177.3179.70000109.8I24 F28 G29 T34 Q35 C36 L330 L336I24-V32 HydrophobicContact CG2-CG1 4.17Å; F28-V32 HydrophobicContact CB-CB 3.91Å; F28-V32 HydrophobicContact CB-CG1 3.85Å; F28-V32 HydrophobicContact CB-CG2 4.25Å; F28-V32 WeakPolarHBondContact O-CG2 3.21Å; G29-V32 PolarHBondContact O-N 3.38Å; V32-T34 VanDerWaalsContact C-N 3.28Å; V32-T34 PolarHBondContact O-N 3.4Å; V32-Q35 PolarHBondContact O-N 2.84Å; V32-C36 PolarHBondContact O-N 3.21Å; V32-C36 PolarHBondContact O-SG 2.49Å; V32-C36 VanDerWaalsContact O-SG 3.35Å; V32-L330 HydrophobicContact CG1-CD1 4.14Å; V32-L336 HydrophobicContact CG2-CD2 4.39Å
33A86.5Confident88.2Confident0 Ų051.3 Ų51.30%028%0.281CS..Hα-helixtrans-57.6-40.9177.200000112.5K21 I24 T25 G29 E30 C36 I37K21-A33 HydrophobicContact CG-CB 4.48Å; I24-A33 HydrophobicContact CB-CB 4.41Å; I24-A33 HydrophobicContact CG2-CB 3.95Å; T25-A33 WeakPolarHBondContact OG1-CB 3.12Å; G29-A33 PolarHBondContact O-N 2.68Å; G29-A33 VanDerWaalsContact O-N 3.07Å; E30-A33 PolarHBondContact O-N 3.33Å; A33-C36 PolarHBondContact O-N 2.97Å; A33-I37 WeakPolarHBondContact O-CG1 3.25Å; A33-I37 PolarHBondContact O-N 2.81Å
34T86.7Confident88.5Confident75 Ų7551.9 Ų51.946%0.4629%0.288SS..Hα-helixtrans-65.8-43.1178-58.40000111.9E30 S31 V32 C36 I37E30-T34 WeakPolarHBondContact O-CB 3.35Å; E30-T34 PolarHBondContact O-N 3.44Å; E30-T34 PolarHBondContact O-OG1 3.35Å; S31-T34 PolarHBondContact O-N 3.11Å; V32-T34 VanDerWaalsContact C-N 3.28Å; V32-T34 PolarHBondContact O-N 3.4Å; T34-C36 VanDerWaalsContact C-N 3.3Å; T34-C36 PolarHBondContact O-N 3.49Å; T34-I37 HydrophobicContact CG2-CD1 4.42Å; T34-I37 WeakPolarHBondContact O-CG1 3.44Å; T34-I37 PolarHBondContact O-N 2.66Å
35Q83.2Confident88.8Confident95 Ų9555.7 Ų55.744%0.44431%0.311SS..Hα-helixtrans-66-32.5177.5-70175.40.500112.4S31 V32 I37S31-Q35 WeakPolarHBondContact O-CG 3.37Å; S31-Q35 PolarHBondContact O-N 3.47Å; V32-Q35 PolarHBondContact O-N 2.84Å; Q35-I37 VanDerWaalsContact C-N 3.33Å; Q35-I37 PolarHBondContact O-N 3.2Å
36C88.2Confident89Confident1 Ų155 Ų551%0.00731%0.306CS..THydrogen-bonded Turntrans-80.6-4179-66.50000114.5I24 V32 A33 T34 E38 S39 L40I24-C36 HydrophobicContact CD1-CB 4.42Å; V32-C36 PolarHBondContact O-N 3.21Å; V32-C36 PolarHBondContact O-SG 2.49Å; V32-C36 VanDerWaalsContact O-SG 3.35Å; A33-C36 PolarHBondContact O-N 2.97Å; T34-C36 VanDerWaalsContact C-N 3.3Å; T34-C36 PolarHBondContact O-N 3.49Å; C36-E38 VanDerWaalsContact C-N 3.33Å; C36-E38 PolarHBondContact O-N 2.94Å; C36-S39 WeakPolarHBondContact O-CB 3.47Å; C36-S39 PolarHBondContact O-N 3.22Å; C36-S39 VanDerWaalsContact O-N 3.13Å; C36-L40 WeakPolarHBondContact O-CG 3.35Å; C36-L40 PolarHBondContact O-N 2.94Å
37I91.2Very high89.5Confident41 Ų4152 Ų5221%0.2127%0.274CS..Hα-helixtrans-57.5-45.1-176.7-70.4174.3000111.6A33 T34 Q35 S39 L40 K41A33-I37 WeakPolarHBondContact O-CG1 3.25Å; A33-I37 PolarHBondContact O-N 2.81Å; T34-I37 HydrophobicContact CG2-CD1 4.42Å; T34-I37 WeakPolarHBondContact O-CG1 3.44Å; T34-I37 PolarHBondContact O-N 2.66Å; Q35-I37 VanDerWaalsContact C-N 3.33Å; Q35-I37 PolarHBondContact O-N 3.2Å; I37-S39 VanDerWaalsContact C-N 3.33Å; I37-S39 PolarHBondContact O-N 2.97Å; I37-L40 PolarHBondContact O-N 3.2Å; I37-K41 HydrophobicContact CG2-CD 4.43Å; I37-K41 WeakPolarHBondContact O-CG 3.19Å; I37-K41 PolarHBondContact O-N 3.12Å
38E91.8Very high90.1Very high123 Ų12352.5 Ų52.558%0.57527%0.273SS*.Hα-helixtrans-67.1-36.7179.3-66-54.8128.500111.6C36 K41 K42C36-E38 VanDerWaalsContact C-N 3.33Å; C36-E38 PolarHBondContact O-N 2.94Å; E38-K41 PolarHBondContact O-N 2.84Å; E38-K41 IonicContact OE1-NZ 2.99Å; E38-K41 PolarHBondContact OE1-NZ 3.12Å; E38-K41 IonicContact OE2-NZ 3.19Å; E38-K42 WeakPolarHBondContact O-CB 3.43Å; E38-K42 PolarHBondContact O-N 3.38Å
39S92.6Very high90.7Very high23 Ų2353.4 Ų53.416%0.16128%0.28CS..Hα-helixtrans-62.5-41.9172.6-49.50000112.3C36 I37 K42 F43 I326C36-S39 WeakPolarHBondContact O-CB 3.47Å; C36-S39 PolarHBondContact O-N 3.22Å; C36-S39 VanDerWaalsContact O-N 3.13Å; I37-S39 VanDerWaalsContact C-N 3.33Å; I37-S39 PolarHBondContact O-N 2.97Å; S39-K42 PolarHBondContact O-N 2.96Å; S39-F43 WeakPolarHBondContact O-CB 3.41Å; S39-F43 PolarHBondContact O-N 3.05Å; S39-I326 WeakPolarHBondContact CB-O 3.45Å; S39-I326 PolarHBondContact OG-O 2.86Å
40L94.8Very high91.3Very high0 Ų052 Ų520%027%0.265CS..Hα-helixtrans-66.8-40.8177.3-68.8176.5000112.2I17 L20 K21 I24 C36 I37 F43 S44 F327I17-L40 HydrophobicContact CG1-CB 4.45Å; I17-L40 HydrophobicContact CG2-CB 4.26Å; L20-L40 HydrophobicContact CB-CD1 4.28Å; L20-L40 HydrophobicContact CB-CD2 3.58Å; L20-L40 HydrophobicContact CD1-CD2 3.59Å; L20-L40 HydrophobicContact CG-CD2 4.22Å; K21-L40 HydrophobicContact CB-CD1 3.97Å; I24-L40 HydrophobicContact CD1-CD1 4.29Å; I24-L40 HydrophobicContact CD1-CD2 4.19Å; C36-L40 WeakPolarHBondContact O-CG 3.35Å; C36-L40 PolarHBondContact O-N 2.94Å; I37-L40 PolarHBondContact O-N 3.2Å; L40-F43 WeakPolarHBondContact O-CB 3.45Å; L40-F43 PolarHBondContact O-N 3.09Å; L40-S44 PolarHBondContact O-N 3.12Å; L40-F327 HydrophobicContact CD2-CE1 3.86Å; L40-F327 HydrophobicContact CD2-CZ 4.1Å; L40-F327 HydrophobicContact CG-CE1 4.42Å
41K95.9Very high91.8Very high95 Ų9547.2 Ų47.241%0.41324%0.244SC..Hα-helixtrans-60.6-47.5172.8-71.9174-175.3168.50111I17 I37 E38 F43 S44 V45I17-K41 HydrophobicContact CD1-CG 4.1Å; I37-K41 HydrophobicContact CG2-CD 4.43Å; I37-K41 WeakPolarHBondContact O-CG 3.19Å; I37-K41 PolarHBondContact O-N 3.12Å; E38-K41 PolarHBondContact O-N 2.84Å; E38-K41 IonicContact OE1-NZ 2.99Å; E38-K41 PolarHBondContact OE1-NZ 3.12Å; E38-K41 IonicContact OE2-NZ 3.19Å; K41-F43 VanDerWaalsContact C-N 3.31Å; K41-F43 PolarHBondContact O-N 3.1Å; K41-S44 WeakPolarHBondContact O-CB 3.33Å; K41-S44 PolarHBondContact O-N 2.78Å; K41-V45 WeakPolarHBondContact O-CG2 3.16Å; K41-V45 PolarHBondContact O-N 3.33Å
42K94.9Very high92.5Very high113 Ų11346.9 Ų46.949%0.49123%0.232SC..Hα-helixtrans-60.8-41176.8-174.9169.1174.8-171.70111.8E38 S39 V45 L46 I326E38-K42 WeakPolarHBondContact O-CB 3.43Å; E38-K42 PolarHBondContact O-N 3.38Å; S39-K42 PolarHBondContact O-N 2.96Å; K42-V45 PolarHBondContact O-N 2.82Å; K42-L46 WeakPolarHBondContact O-CG 3.47Å; K42-L46 PolarHBondContact O-N 2.88Å; K42-I326 HydrophobicContact CB-CD1 4.34Å; K42-I326 HydrophobicContact CD-CB 4.48Å; K42-I326 HydrophobicContact CD-CG2 3.67Å; K42-I326 HydrophobicContact CG-CD1 4.27Å; K42-I326 HydrophobicContact CG-CG2 4.45Å
43F95.7Very high92.6Very high0 Ų047.8 Ų47.80%024%0.242CC..Hα-helixtrans-61.2-42.3173.9176.4-111.4000112.7V16 L20 S39 L40 K41 V45 L46 R47 Y68 V71 L72 L75 I326 F327V16-F43 HydrophobicContact CB-CD1 4.17Å; V16-F43 HydrophobicContact CB-CE1 3.92Å; V16-F43 HydrophobicContact CG1-CE1 4.09Å; V16-F43 HydrophobicContact CG2-CD1 3.71Å; V16-F43 HydrophobicContact CG2-CE1 3.91Å; L20-F43 HydrophobicContact CD1-CD1 3.97Å; L20-F43 HydrophobicContact CD1-CE1 3.84Å; S39-F43 WeakPolarHBondContact O-CB 3.41Å; S39-F43 PolarHBondContact O-N 3.05Å; L40-F43 WeakPolarHBondContact O-CB 3.45Å; L40-F43 PolarHBondContact O-N 3.09Å; K41-F43 VanDerWaalsContact C-N 3.31Å; K41-F43 PolarHBondContact O-N 3.1Å; F43-V45 VanDerWaalsContact C-N 3.34Å; F43-V45 PolarHBondContact O-N 3.37Å; F43-L46 PolarHBondContact O-N 3.19Å; F43-R47 PolarHBondContact O-N 3.29Å; F43-Y68 HydrophobicContact CD2-CD2 4.37Å; F43-Y68 AromaticContact CD2-CE2 3.98Å; F43-Y68 HydrophobicContact CD2-CE2 3.98Å; F43-Y68 HydrophobicContact CE2-CD2 4.03Å; F43-Y68 AromaticContact CE2-CE2 3.36Å; F43-Y68 HydrophobicContact CE2-CE2 3.36Å; F43-Y68 AromaticContact CZ-CE2 3.71Å; F43-Y68 HydrophobicContact CZ-CE2 3.71Å; F43-V71 HydrophobicContact CD2-CB 4.46Å; F43-V71 HydrophobicContact CD2-CG1 3.58Å; F43-V71 HydrophobicContact CE2-CG1 4.16Å; F43-L72 HydrophobicContact CE2-CB 4.3Å; F43-L72 HydrophobicContact CE2-CD1 4.13Å; F43-L72 HydrophobicContact CZ-CD1 3.76Å; F43-L75 HydrophobicContact CD1-CD2 4.32Å; F43-L75 HydrophobicContact CE1-CD2 3.98Å; F43-L75 HydrophobicContact CE2-CD2 4.22Å; F43-L75 HydrophobicContact CZ-CD2 3.92Å; F43-I326 HydrophobicContact CB-CD1 4.15Å; F43-F327 HydrophobicContact CB-CE2 4.23Å; F43-F327 HydrophobicContact CB-CZ 3.9Å; F43-F327 HydrophobicContact CD2-CE2 4.3Å; F43-F327 HydrophobicContact CG-CE2 4.32Å; F43-F327 HydrophobicContact CG-CZ 4.17Å
44S96.3Very high92.4Very high36 Ų3657.5 Ų57.525%0.25228%0.279SS..Hα-helixtrans-61.3-40.6174.6-170.30000112.4L40 K41 R47 Y48L40-S44 PolarHBondContact O-N 3.12Å; K41-S44 WeakPolarHBondContact O-CB 3.33Å; K41-S44 PolarHBondContact O-N 2.78Å; S44-R47 PolarHBondContact O-N 3.15Å; S44-Y48 PolarHBondContact O-N 2.99Å
45V95.9Very high91.8Very high80 Ų8060.2 Ų60.249%0.48529%0.29SS..Hα-helixtrans-65.8-45.7175.9172.90000110.9K41 K42 F43 R47 Y48 D49K41-V45 WeakPolarHBondContact O-CG2 3.16Å; K41-V45 PolarHBondContact O-N 3.33Å; K42-V45 PolarHBondContact O-N 2.82Å; F43-V45 VanDerWaalsContact C-N 3.34Å; F43-V45 PolarHBondContact O-N 3.37Å; V45-R47 VanDerWaalsContact C-N 3.27Å; V45-R47 PolarHBondContact O-N 3.18Å; V45-Y48 CarbonylContact O-C 3.47Å; V45-Y48 WeakPolarHBondContact O-CA 3.21Å; V45-Y48 WeakPolarHBondContact O-CB 3.49Å; V45-Y48 PolarHBondContact O-N 3.13Å; V45-D49 PolarHBondContact O-N 2.93Å
46L95.3Very high91.5Very high28 Ų2864 Ų6415%0.14731%0.308CS..Hα-helixtrans-57.4-41.4176.4-71.8171.9000112K42 F43 D49 A50 L67 Y68 V71 I326K42-L46 WeakPolarHBondContact O-CG 3.47Å; K42-L46 PolarHBondContact O-N 2.88Å; F43-L46 PolarHBondContact O-N 3.19Å; L46-D49 PolarHBondContact O-N 3.46Å; L46-A50 WeakPolarHBondContact O-CB 3.47Å; L46-A50 PolarHBondContact O-N 3.4Å; L46-L67 HydrophobicContact CD2-CB 4.48Å; L46-Y68 HydrophobicContact CB-CD2 4.03Å; L46-V71 HydrophobicContact CD1-CB 4.34Å; L46-V71 HydrophobicContact CD1-CG1 4.43Å; L46-V71 HydrophobicContact CD1-CG2 3.87Å; L46-I326 HydrophobicContact CD1-CD1 4.27Å
47R96.9Very high91.4Very high6 Ų666.9 Ų66.92%0.02332%0.323CS..Hα-helixtrans-61.1-47.1173.4-172.8177.7-172.8-85.5-8.5111.2S11 T12 F43 S44 V45 D49 A50 C51 Y68 E108S11-R47 PolarHBondContact OG-NH2 3.14Å; T12-R47 PolarHBondContact O-NH1 3.22Å; F43-R47 PolarHBondContact O-N 3.29Å; S44-R47 PolarHBondContact O-N 3.15Å; V45-R47 VanDerWaalsContact C-N 3.27Å; V45-R47 PolarHBondContact O-N 3.18Å; R47-D49 PolarHBondContact O-N 2.92Å; R47-A50 PolarHBondContact O-N 3.48Å; R47-C51 VanDerWaalsContact O-CB 3.31Å; R47-C51 WeakPolarHBondContact O-CB 3.27Å; R47-C51 PolarHBondContact O-N 3.03Å; R47-C51 PolarHBondContact O-SG 3.38Å; R47-Y68 HydrophobicContact CB-CD2 3.97Å; R47-Y68 HydrophobicContact CB-CE1 4.3Å; R47-Y68 HydrophobicContact CB-CE2 3.44Å; R47-Y68 VanDerWaalsContact CB-CE2 3.44Å; R47-Y68 WeakPolarHBondContact CD-OH 3.45Å; R47-Y68 HydrophobicContact CG-CE1 3.96Å; R47-Y68 HydrophobicContact CG-CE2 3.93Å; R47-E108 IonicContact CZ-OE1 3.05Å; R47-E108 IonicContact NE-OE1 3.54Å; R47-E108 PolarHBondContact NE-OE1 2.93Å; R47-E108 IonicContact NH2-OE1 2.64Å; R47-E108 PolarHBondContact NH2-OE1 3.01Å; R47-E108 IonicContact NH2-OE2 3.89Å
48Y95.9Very high91.4Very high121 Ų12166.1 Ų66.148%0.47532%0.32SS..Hα-helixtrans-59.8-46.3-180-176-87.3000111.2S44 V45 A50 C51 F52S44-Y48 PolarHBondContact O-N 2.99Å; V45-Y48 CarbonylContact O-C 3.47Å; V45-Y48 WeakPolarHBondContact O-CA 3.21Å; V45-Y48 WeakPolarHBondContact O-CB 3.49Å; V45-Y48 PolarHBondContact O-N 3.13Å; Y48-A50 VanDerWaalsContact C-N 3.33Å; Y48-A50 PolarHBondContact O-N 3.39Å; Y48-C51 PolarHBondContact O-N 3.24Å; Y48-F52 HydrophobicContact CD1-CB 4.45Å; Y48-F52 HydrophobicContact CD2-CB 4.36Å; Y48-F52 AromaticContact CD2-CD2 3.59Å; Y48-F52 HydrophobicContact CD2-CD2 3.59Å; Y48-F52 HydrophobicContact CD2-CE2 4.32Å; Y48-F52 HydrophobicContact CD2-CG 4.31Å; Y48-F52 HydrophobicContact CE1-CB 4.17Å; Y48-F52 HydrophobicContact CE2-CB 4.08Å; Y48-F52 AromaticContact CE2-CD2 3.85Å; Y48-F52 HydrophobicContact CE2-CD2 3.85Å; Y48-F52 HydrophobicContact CE2-CG 4.16Å; Y48-F52 HydrophobicContact CG-CD2 4.12Å; Y48-F52 WeakPolarHBondContact O-CA 3.36Å; Y48-F52 WeakPolarHBondContact O-CB 3.42Å; Y48-F52 PolarHBondContact O-N 2.69Å
49D94.6Very high91.3Very high64 Ų6460.9 Ų60.934%0.34230%0.299SS..Hα-helixtrans-64.7-38.1178.1-65.6-22.2000111.9V45 L46 R47 G53 R61V45-D49 PolarHBondContact O-N 2.93Å; L46-D49 PolarHBondContact O-N 3.46Å; R47-D49 PolarHBondContact O-N 2.92Å; D49-G53 WeakPolarHBondContact O-CA 3.24Å; D49-G53 PolarHBondContact O-N 2.97Å; D49-G53 VanDerWaalsContact O-N 3.13Å; D49-R61 PolarHBondContact O-NH1 3.29Å
50A95.3Very high91.3Very high0 Ų062.1 Ų62.10%031%0.307CS..Hα-helixtrans-72-26.8176.400000114.1L46 R47 Y48 R61 L65 Y68L46-A50 WeakPolarHBondContact O-CB 3.47Å; L46-A50 PolarHBondContact O-N 3.4Å; R47-A50 PolarHBondContact O-N 3.48Å; Y48-A50 VanDerWaalsContact C-N 3.33Å; Y48-A50 PolarHBondContact O-N 3.39Å; A50-R61 PolarHBondContact O-NE 3.42Å; A50-R61 VanDerWaalsContact O-NE 3.17Å; A50-R61 PolarHBondContact O-NH1 3.04Å; A50-R61 PolarHBondContact O-NH2 3.49Å; A50-R61 VanDerWaalsContact O-NH2 3.11Å; A50-L65 HydrophobicContact CB-CD2 4.22Å; A50-L65 VanDerWaalsContact O-CD2 3.3Å; A50-L65 WeakPolarHBondContact O-CD2 3.49Å; A50-Y68 HydrophobicContact CB-CD1 3.87Å; A50-Y68 HydrophobicContact CB-CG 3.93Å
51C95.4Very high91.2Very high5 Ų562.9 Ų62.93%0.03431%0.31CS..Hα-helixtrans-104-27.5-177.8-63.40000114.2R47 Y48 R61R47-C51 VanDerWaalsContact O-CB 3.31Å; R47-C51 WeakPolarHBondContact O-CB 3.27Å; R47-C51 PolarHBondContact O-N 3.03Å; R47-C51 PolarHBondContact O-SG 3.38Å; Y48-C51 PolarHBondContact O-N 3.24Å; C51-R61 VanDerWaalsContact C-CZ 3.5Å; C51-R61 PolarHBondContact O-NH2 3.16Å
52F93.3Very high91.2Very high74 Ų7459 Ų5933%0.32529%0.294SS..Hα-helixtrans-131.21.1-173.7-53.6-73.7000116.1S11 E13 Y48S11-F52 VanDerWaalsContact O-CE1 3.3Å; S11-F52 WeakPolarHBondContact O-CE1 3.46Å; S11-F52 WeakPolarHBondContact O-CZ 3.06Å; E13-F52 HydrophobicContact CG-CE2 3.95Å; E13-F52 HydrophobicContact CG-CZ 4Å; Y48-F52 HydrophobicContact CD1-CB 4.45Å; Y48-F52 HydrophobicContact CD2-CB 4.36Å; Y48-F52 AromaticContact CD2-CD2 3.59Å; Y48-F52 HydrophobicContact CD2-CD2 3.59Å; Y48-F52 HydrophobicContact CD2-CE2 4.32Å; Y48-F52 HydrophobicContact CD2-CG 4.31Å; Y48-F52 HydrophobicContact CE1-CB 4.17Å; Y48-F52 HydrophobicContact CE2-CB 4.08Å; Y48-F52 AromaticContact CE2-CD2 3.85Å; Y48-F52 HydrophobicContact CE2-CD2 3.85Å; Y48-F52 HydrophobicContact CE2-CG 4.16Å; Y48-F52 HydrophobicContact CG-CD2 4.12Å; Y48-F52 WeakPolarHBondContact O-CA 3.36Å; Y48-F52 WeakPolarHBondContact O-CB 3.42Å; Y48-F52 PolarHBondContact O-N 2.69Å
53G85.1Confident91.1Very high23 Ų2357.2 Ų57.224%0.23729%0.287CS..SBendtrans-46.5156.3162.200000115.1D49D49-G53 WeakPolarHBondContact O-CA 3.24Å; D49-G53 PolarHBondContact O-N 2.97Å; D49-G53 VanDerWaalsContact O-N 3.13Å
54R80.6Confident91.1Very high204 Ų20458.5 Ų58.577%0.7730%0.296SS*.  trans-64.5135.7-169-62.2-178.9-177.6179.91.5112.4E56R54-E56 VanDerWaalsContact C-N 3.27Å; R54-E56 PolarHBondContact O-N 3.16Å
55N74.4Confident91.1Very high132 Ų13256.8 Ų56.871%0.70628%0.284SS*.THydrogen-bonded Turntrans-68.1-23.4178-70.1-18.6000114
56E77.9Confident91Very high175 Ų17553 Ų5382%0.81826%0.262SS*.THydrogen-bonded Turntrans-75.2-29.6-176.2-65.2171.7178.100112.7R54R54-E56 VanDerWaalsContact C-N 3.27Å; R54-E56 PolarHBondContact O-N 3.16Å
57D86.6Confident91Very high61 Ų6154.4 Ų54.433%0.32627%0.269SS..  trans-108.977.8-178.9-174.7-2000110.6G59 S60 R61D57-G59 PolarHBondContact O-N 3.46Å; D57-G59 PolarHBondContact OD1-N 3.26Å; D57-S60 VanDerWaalsContact CG-CB 3.5Å; D57-S60 VanDerWaalsContact CG-OG 3.24Å; D57-S60 PolarHBondContact OD1-N 2.82Å; D57-S60 PolarHBondContact OD1-OG 2.99Å; D57-S60 WeakPolarHBondContact OD2-CB 3.45Å; D57-S60 PolarHBondContact OD2-OG 2.99Å; D57-R61 WeakPolarHBondContact O-CB 3.49Å; D57-R61 PolarHBondContact O-N 2.86Å; D57-R61 VanDerWaalsContact O-N 3.08Å
58L90.2Very high90.9Very high26 Ų2654.1 Ų54.114%0.13627%0.268CS..Hα-helixtrans-64.1-28178.7-69172.3000112.5R61 I62 N122 L123L58-R61 PolarHBondContact O-N 2.99Å; L58-I62 WeakPolarHBondContact O-CB 3.41Å; L58-I62 WeakPolarHBondContact O-CD1 3.32Å; L58-I62 WeakPolarHBondContact O-CG1 3.38Å; L58-I62 PolarHBondContact O-N 3.04Å; L58-N122 HydrophobicContact CD1-CB 3.66Å; L58-L123 HydrophobicContact CB-CB 4.13Å; L58-L123 HydrophobicContact CB-CD1 4.16Å; L58-L123 HydrophobicContact CD1-CB 4.22Å
59G90.8Very high90.9Very high13 Ų1348.3 Ų48.313%0.13425%0.245CC..Hα-helixtrans-64.1-53.717800000111.5D57 R61 I62 Q63D57-G59 PolarHBondContact O-N 3.46Å; D57-G59 PolarHBondContact OD1-N 3.26Å; G59-R61 VanDerWaalsContact C-N 3.28Å; G59-R61 PolarHBondContact O-N 2.97Å; G59-I62 PolarHBondContact O-N 3.4Å; G59-Q63 PolarHBondContact O-N 2.9Å
60S91.6Very high90.8Very high49 Ų4946 Ų4634%0.34323%0.233SC..Hα-helixtrans-61.1-39.4174.5-64.70000111.8D57 I62 Q63 S64D57-S60 VanDerWaalsContact CG-CB 3.5Å; D57-S60 VanDerWaalsContact CG-OG 3.24Å; D57-S60 PolarHBondContact OD1-N 2.82Å; D57-S60 PolarHBondContact OD1-OG 2.99Å; D57-S60 WeakPolarHBondContact OD2-CB 3.45Å; D57-S60 PolarHBondContact OD2-OG 2.99Å; S60-I62 PolarHBondContact O-N 2.94Å; S60-Q63 WeakPolarHBondContact O-CB 2.7Å; S60-Q63 PolarHBondContact O-N 2.83Å; S60-S64 PolarHBondContact O-N 3.22Å; S60-S64 PolarHBondContact O-OG 3.23Å
61R92.9Very high90.7Very high15 Ų1547.1 Ų47.16%0.05724%0.239CC..Hα-helixtrans-60.3-42.4178-177.659.3168.6-157.8-14.5112.9D49 A50 C51 D57 L58 G59 Q63 S64 L65D49-R61 PolarHBondContact O-NH1 3.29Å; A50-R61 PolarHBondContact O-NE 3.42Å; A50-R61 VanDerWaalsContact O-NE 3.17Å; A50-R61 PolarHBondContact O-NH1 3.04Å; A50-R61 PolarHBondContact O-NH2 3.49Å; A50-R61 VanDerWaalsContact O-NH2 3.11Å; C51-R61 VanDerWaalsContact C-CZ 3.5Å; C51-R61 PolarHBondContact O-NH2 3.16Å; D57-R61 WeakPolarHBondContact O-CB 3.49Å; D57-R61 PolarHBondContact O-N 2.86Å; D57-R61 VanDerWaalsContact O-N 3.08Å; L58-R61 PolarHBondContact O-N 2.99Å; G59-R61 VanDerWaalsContact C-N 3.28Å; G59-R61 PolarHBondContact O-N 2.97Å; R61-Q63 VanDerWaalsContact C-N 3.32Å; R61-Q63 PolarHBondContact O-N 3.15Å; R61-S64 PolarHBondContact O-N 2.81Å; R61-L65 HydrophobicContact CG-CD1 4.07Å; R61-L65 WeakPolarHBondContact O-CB 3.49Å; R61-L65 WeakPolarHBondContact O-CD1 3.46Å; R61-L65 WeakPolarHBondContact O-CG 3.28Å; R61-L65 PolarHBondContact O-N 2.66Å
62I95.3Very high90.6Very high15 Ų1546.9 Ų46.98%0.07724%0.238CC..Hα-helixtrans-60.9-42175.7-75.6165.5000110.6L58 G59 S60 L65 A66 Y116 A119 H120 L123L58-I62 WeakPolarHBondContact O-CB 3.41Å; L58-I62 WeakPolarHBondContact O-CD1 3.32Å; L58-I62 WeakPolarHBondContact O-CG1 3.38Å; L58-I62 PolarHBondContact O-N 3.04Å; G59-I62 PolarHBondContact O-N 3.4Å; S60-I62 PolarHBondContact O-N 2.94Å; I62-L65 PolarHBondContact O-N 2.95Å; I62-A66 WeakPolarHBondContact O-CB 3.09Å; I62-A66 PolarHBondContact O-N 3.17Å; I62-Y116 HydrophobicContact CG2-CD2 4.15Å; I62-Y116 HydrophobicContact CG2-CE2 3.54Å; I62-A119 HydrophobicContact CD1-CB 4.29Å; I62-A119 HydrophobicContact CG1-CB 3.64Å; I62-H120 WeakPolarHBondContact CG2-NE2 3.41Å; I62-L123 HydrophobicContact CD1-CB 4.16Å; I62-L123 HydrophobicContact CD1-CD2 3.49Å; I62-L123 VanDerWaalsContact CD1-CD2 3.49Å; I62-L123 HydrophobicContact CD1-CG 4.48Å
63Q93.6Very high90.4Very high75 Ų7546.6 Ų46.635%0.3523%0.234SC..Hα-helixtrans-64.6-45.1176.3-65.7-178.70.300111.9G59 S60 R61 L65 A66 L67G59-Q63 PolarHBondContact O-N 2.9Å; S60-Q63 WeakPolarHBondContact O-CB 2.7Å; S60-Q63 PolarHBondContact O-N 2.83Å; R61-Q63 VanDerWaalsContact C-N 3.32Å; R61-Q63 PolarHBondContact O-N 3.15Å; Q63-L65 PolarHBondContact O-N 3.17Å; Q63-A66 PolarHBondContact O-N 3.12Å; Q63-L67 WeakPolarHBondContact O-CB 3.43Å; Q63-L67 WeakPolarHBondContact O-CG 3.38Å; Q63-L67 PolarHBondContact O-N 3.27Å
64S94.7Very high90.4Very high26 Ų2646.8 Ų46.818%0.18223%0.232CC..Hα-helixtrans-60.6-43.9176.5-59.30000112.1S60 R61 A66 Y68S60-S64 PolarHBondContact O-N 3.22Å; S60-S64 PolarHBondContact O-OG 3.23Å; R61-S64 PolarHBondContact O-N 2.81Å; S64-A66 PolarHBondContact O-N 3.21Å; S64-Y68 VanDerWaalsContact O-CB 3.25Å; S64-Y68 WeakPolarHBondContact O-CB 3.44Å; S64-Y68 PolarHBondContact O-N 3.42Å
65L96.5Very high90.8Very high0 Ų037.1 Ų37.10%020%0.196CC..Hα-helixtrans-59.5-45.4175.3-75.5161.3000111.4A50 R61 I62 Q63 H69 I112 C115 Y116 A119A50-L65 HydrophobicContact CB-CD2 4.22Å; A50-L65 VanDerWaalsContact O-CD2 3.3Å; A50-L65 WeakPolarHBondContact O-CD2 3.49Å; R61-L65 HydrophobicContact CG-CD1 4.07Å; R61-L65 WeakPolarHBondContact O-CB 3.49Å; R61-L65 WeakPolarHBondContact O-CD1 3.46Å; R61-L65 WeakPolarHBondContact O-CG 3.28Å; R61-L65 PolarHBondContact O-N 2.66Å; I62-L65 PolarHBondContact O-N 2.95Å; Q63-L65 PolarHBondContact O-N 3.17Å; L65-H69 VanDerWaalsContact O-CB 3.29Å; L65-H69 WeakPolarHBondContact O-CB 3.47Å; L65-H69 PolarHBondContact O-N 3.43Å; L65-I112 HydrophobicContact CD2-CD1 4.06Å; L65-I112 HydrophobicContact CD2-CG2 4.04Å; L65-C115 HydrophobicContact CD1-CB 4.28Å; L65-C115 HydrophobicContact CD2-CB 3.85Å; L65-Y116 HydrophobicContact CB-CD2 4.1Å; L65-A119 HydrophobicContact CD1-CB 4.14Å
66A95.3Very high91.5Very high2 Ų232.7 Ų32.72%0.01717%0.171CC..Hα-helixtrans-67.7-44.6-179.400000113I62 Q63 S64 H69 N70 Y116 L318 L319I62-A66 WeakPolarHBondContact O-CB 3.09Å; I62-A66 PolarHBondContact O-N 3.17Å; Q63-A66 PolarHBondContact O-N 3.12Å; S64-A66 PolarHBondContact O-N 3.21Å; A66-H69 PolarHBondContact O-N 3.38Å; A66-N70 PolarHBondContact O-N 3.13Å; A66-N70 PolarHBondContact O-OD1 3.13Å; A66-Y116 HydrophobicContact CB-CD2 4.35Å; A66-Y116 HydrophobicContact CB-CE2 3.85Å; A66-L318 HydrophobicContact CB-CB 3.86Å; A66-L318 HydrophobicContact CB-CD1 4.3Å; A66-L319 HydrophobicContact CB-CD1 3.84Å; A66-L319 HydrophobicContact CB-CD2 4.31Å; A66-L319 HydrophobicContact CB-CG 3.77Å
67L94Very high91.7Very high56 Ų5629.4 Ų29.429%0.29315%0.154SC..Hα-helixtrans-61.6-48.1175.6-74.5170000111.2L46 Q63 N70 V71 L319L46-L67 HydrophobicContact CD2-CB 4.48Å; Q63-L67 WeakPolarHBondContact O-CB 3.43Å; Q63-L67 WeakPolarHBondContact O-CG 3.38Å; Q63-L67 PolarHBondContact O-N 3.27Å; L67-N70 PolarHBondContact O-N 2.86Å; L67-V71 WeakPolarHBondContact O-CG2 3.2Å; L67-V71 PolarHBondContact O-N 2.9Å; L67-V71 VanDerWaalsContact O-N 3.09Å; L67-L319 HydrophobicContact CB-CD1 4.31Å; L67-L319 HydrophobicContact CD2-CD1 3.37Å; L67-L319 HydrophobicContact CG-CD1 3.48Å; L67-L319 VanDerWaalsContact CG-CD1 3.48Å
68Y96Very high91.6Very high0 Ų029.8 Ų29.80%015%0.151CC..Hα-helixtrans-61.4-46.4178.9176.1-119.3000111.6F43 L46 R47 A50 S64 N70 V71 L72 E108 I112F43-Y68 HydrophobicContact CD2-CD2 4.37Å; F43-Y68 AromaticContact CD2-CE2 3.98Å; F43-Y68 HydrophobicContact CD2-CE2 3.98Å; F43-Y68 HydrophobicContact CE2-CD2 4.03Å; F43-Y68 AromaticContact CE2-CE2 3.36Å; F43-Y68 HydrophobicContact CE2-CE2 3.36Å; F43-Y68 AromaticContact CZ-CE2 3.71Å; F43-Y68 HydrophobicContact CZ-CE2 3.71Å; L46-Y68 HydrophobicContact CB-CD2 4.03Å; R47-Y68 HydrophobicContact CB-CD2 3.97Å; R47-Y68 HydrophobicContact CB-CE1 4.3Å; R47-Y68 HydrophobicContact CB-CE2 3.44Å; R47-Y68 VanDerWaalsContact CB-CE2 3.44Å; R47-Y68 WeakPolarHBondContact CD-OH 3.45Å; R47-Y68 HydrophobicContact CG-CE1 3.96Å; R47-Y68 HydrophobicContact CG-CE2 3.93Å; A50-Y68 HydrophobicContact CB-CD1 3.87Å; A50-Y68 HydrophobicContact CB-CG 3.93Å; S64-Y68 VanDerWaalsContact O-CB 3.25Å; S64-Y68 WeakPolarHBondContact O-CB 3.44Å; S64-Y68 PolarHBondContact O-N 3.42Å; Y68-N70 VanDerWaalsContact C-N 3.34Å; Y68-N70 PolarHBondContact O-N 2.97Å; Y68-V71 PolarHBondContact O-N 3.1Å; Y68-L72 HydrophobicContact CE1-CD2 4.16Å; Y68-L72 VanDerWaalsContact O-CB 3.26Å; Y68-L72 WeakPolarHBondContact O-CB 3.48Å; Y68-L72 PolarHBondContact O-N 3.08Å; Y68-E108 HydrophobicContact CE1-CG 4.23Å; Y68-E108 PolarHBondContact OH-OE1 2.96Å; Y68-I112 HydrophobicContact CD1-CD1 3.66Å; Y68-I112 HydrophobicContact CD1-CG1 3.84Å; Y68-I112 HydrophobicContact CD1-CG2 4.35Å; Y68-I112 HydrophobicContact CE1-CD1 3.72Å; Y68-I112 HydrophobicContact CE1-CG1 3.73Å
69H95.4Very high91.3Very high0 Ų028.9 Ų28.90%015%0.146CC..Hα-helixtrans-56.6-46.2176.3179.9-86.3000112.2L65 A66 V71 L72 W73 I112 I113 L318L65-H69 VanDerWaalsContact O-CB 3.29Å; L65-H69 WeakPolarHBondContact O-CB 3.47Å; L65-H69 PolarHBondContact O-N 3.43Å; A66-H69 PolarHBondContact O-N 3.38Å; H69-V71 PolarHBondContact O-N 3.15Å; H69-L72 WeakPolarHBondContact O-CB 3.47Å; H69-L72 PolarHBondContact O-N 3.26Å; H69-W73 VanDerWaalsContact O-CB 3.25Å; H69-W73 WeakPolarHBondContact O-CB 3.31Å; H69-W73 PolarHBondContact O-N 3.12Å; H69-I112 HydrophobicContact CB-CG2 3.86Å; H69-I113 WeakPolarHBondContact NE2-CD1 3.35Å; H69-L318 HydrophobicContact CB-CD1 3.77Å; H69-L318 HydrophobicContact CB-CG 4.43Å
70N92.7Very high90.7Very high15 Ų1534.9 Ų34.98%0.0818%0.175CC..Hα-helixtrans-59.2-45.9178.1-84.515.2000112.5A66 L67 Y68 W73 S74 P317 L318 L319A66-N70 PolarHBondContact O-N 3.13Å; A66-N70 PolarHBondContact O-OD1 3.13Å; L67-N70 PolarHBondContact O-N 2.86Å; Y68-N70 VanDerWaalsContact C-N 3.34Å; Y68-N70 PolarHBondContact O-N 2.97Å; N70-W73 PolarHBondContact O-N 2.98Å; N70-S74 WeakPolarHBondContact O-CB 3.38Å; N70-S74 PolarHBondContact O-N 3.3Å; N70-P317 WeakPolarHBondContact OD1-CA 3.29Å; N70-P317 WeakPolarHBondContact OD1-CB 3.4Å; N70-L318 PolarHBondContact OD1-N 3.37Å; N70-L319 WeakPolarHBondContact ND2-CB 3.5Å; N70-L319 PolarHBondContact ND2-N 3.19Å; N70-L319 PolarHBondContact ND2-O 3.22Å
71V92.7Very high89.9Confident23 Ų2333.6 Ų33.614%0.13917%0.165CC..Hα-helixtrans-67.4-42.2179.3175.60000110.8F43 L46 L67 Y68 H69 W73 S74 L75 I326 F327F43-V71 HydrophobicContact CD2-CB 4.46Å; F43-V71 HydrophobicContact CD2-CG1 3.58Å; F43-V71 HydrophobicContact CE2-CG1 4.16Å; L46-V71 HydrophobicContact CD1-CB 4.34Å; L46-V71 HydrophobicContact CD1-CG1 4.43Å; L46-V71 HydrophobicContact CD1-CG2 3.87Å; L67-V71 WeakPolarHBondContact O-CG2 3.2Å; L67-V71 PolarHBondContact O-N 2.9Å; L67-V71 VanDerWaalsContact O-N 3.09Å; Y68-V71 PolarHBondContact O-N 3.1Å; H69-V71 PolarHBondContact O-N 3.15Å; V71-W73 PolarHBondContact O-N 3.42Å; V71-S74 PolarHBondContact O-N 3.25Å; V71-L75 VanDerWaalsContact O-CB 3.29Å; V71-L75 WeakPolarHBondContact O-CB 3.23Å; V71-L75 PolarHBondContact O-N 3.45Å; V71-I326 HydrophobicContact CG1-CD1 3.59Å; V71-I326 HydrophobicContact CG1-CG1 3.92Å; V71-I326 HydrophobicContact CG2-CD1 4.5Å; V71-F327 HydrophobicContact CG1-CD2 4.1Å; V71-F327 HydrophobicContact CG1-CE2 3.7Å
72L93.4Very high89.1Confident0 Ų038.1 Ų38.10%020%0.199CC..Hα-helixtrans-57.6-47.7175.4-177.560.7000111.7F43 Y68 H69 L75 E76 F105 E108 Q109F43-L72 HydrophobicContact CE2-CB 4.3Å; F43-L72 HydrophobicContact CE2-CD1 4.13Å; F43-L72 HydrophobicContact CZ-CD1 3.76Å; Y68-L72 HydrophobicContact CE1-CD2 4.16Å; Y68-L72 VanDerWaalsContact O-CB 3.26Å; Y68-L72 WeakPolarHBondContact O-CB 3.48Å; Y68-L72 PolarHBondContact O-N 3.08Å; H69-L72 WeakPolarHBondContact O-CB 3.47Å; H69-L72 PolarHBondContact O-N 3.26Å; L72-L75 PolarHBondContact O-N 3.02Å; L72-E76 PolarHBondContact O-N 3.45Å; L72-F105 HydrophobicContact CD1-CD1 3.48Å; L72-F105 VanDerWaalsContact CD1-CD1 3.48Å; L72-F105 HydrophobicContact CD1-CE1 3.9Å; L72-F105 HydrophobicContact CG-CD1 4.47Å; L72-E108 HydrophobicContact CD2-CB 3.95Å; L72-E108 HydrophobicContact CD2-CG 3.53Å; L72-Q109 HydrophobicContact CD2-CB 4.48Å; L72-Q109 HydrophobicContact CD2-CG 3.58Å; L72-Q109 HydrophobicContact CG-CG 3.93Å
73W88.8Confident88.4Confident68 Ų6842.5 Ų42.526%0.25822%0.219SC..Hα-helixtrans-65.1-40.5178.3-179.784.1000112.8H69 N70 V71 K77 I316 P317H69-W73 VanDerWaalsContact O-CB 3.25Å; H69-W73 WeakPolarHBondContact O-CB 3.31Å; H69-W73 PolarHBondContact O-N 3.12Å; N70-W73 PolarHBondContact O-N 2.98Å; V71-W73 PolarHBondContact O-N 3.42Å; W73-K77 HydrophobicContact CD2-CD 4.24Å; W73-K77 HydrophobicContact CE3-CD 4.43Å; W73-K77 HydrophobicContact CZ2-CD 4.37Å; W73-K77 WeakPolarHBondContact O-CG 3.28Å; W73-K77 PolarHBondContact O-N 3.49Å; W73-I316 HydrophobicContact CD2-CG2 4.12Å; W73-I316 HydrophobicContact CG-CG2 4.21Å; W73-I316 HydrophobicContact CZ2-CG2 3.96Å; W73-P317 HydrophobicContact CZ3-CG 4.46Å
74S86.1Confident88.2Confident28 Ų2842.8 Ų42.820%0.19622%0.223CC..Hα-helixtrans-63.7-44.5173.2-179.70000111.4N70 V71 K77 R78N70-S74 WeakPolarHBondContact O-CB 3.38Å; N70-S74 PolarHBondContact O-N 3.3Å; V71-S74 PolarHBondContact O-N 3.25Å; S74-K77 PolarHBondContact O-N 2.97Å; S74-R78 WeakPolarHBondContact O-CG 3.46Å; S74-R78 PolarHBondContact O-N 3.45Å; S74-R78 PolarHBondContact OG-NE 3.49Å
75L89.1Confident88Confident0 Ų042.7 Ų42.70%022%0.22CC..Hα-helixtrans-63.8-50.5-179178.362.1000111.5L20 F43 V71 L72 K77 R78 L79 F327 L330L20-L75 HydrophobicContact CD1-CD2 3.83Å; L20-L75 HydrophobicContact CD2-CD2 4.36Å; F43-L75 HydrophobicContact CD1-CD2 4.32Å; F43-L75 HydrophobicContact CE1-CD2 3.98Å; F43-L75 HydrophobicContact CE2-CD2 4.22Å; F43-L75 HydrophobicContact CZ-CD2 3.92Å; V71-L75 VanDerWaalsContact O-CB 3.29Å; V71-L75 WeakPolarHBondContact O-CB 3.23Å; V71-L75 PolarHBondContact O-N 3.45Å; L72-L75 PolarHBondContact O-N 3.02Å; L75-K77 VanDerWaalsContact C-N 3.28Å; L75-K77 PolarHBondContact O-N 3.36Å; L75-R78 WeakPolarHBondContact O-CB 3.48Å; L75-R78 PolarHBondContact O-N 3.4Å; L75-L79 HydrophobicContact CD1-CD1 4.03Å; L75-L79 HydrophobicContact CD1-CD2 4.11Å; L75-L79 HydrophobicContact CD1-CG 3.93Å; L75-L79 HydrophobicContact CD2-CD1 4.49Å; L75-L79 HydrophobicContact CG-CD1 3.92Å; L75-L79 HydrophobicContact CG-CG 4.2Å; L75-L79 WeakPolarHBondContact O-CG 3.12Å; L75-L79 PolarHBondContact O-N 3.49Å; L75-F327 HydrophobicContact CB-CD2 4.14Å; L75-F327 HydrophobicContact CB-CE2 4.04Å; L75-F327 HydrophobicContact CD1-CD1 4.13Å; L75-F327 HydrophobicContact CD1-CD2 4Å; L75-F327 HydrophobicContact CD1-CE1 4.04Å; L75-F327 HydrophobicContact CD1-CE2 3.9Å; L75-F327 HydrophobicContact CD1-CG 4.12Å; L75-F327 HydrophobicContact CD1-CZ 3.92Å; L75-F327 HydrophobicContact CD2-CE2 3.98Å; L75-F327 HydrophobicContact CD2-CZ 3.99Å; L75-F327 HydrophobicContact CG-CE2 4.18Å; L75-F327 HydrophobicContact CG-CZ 4.44Å; L75-L330 HydrophobicContact CD1-CD2 3.79Å
76E87.5Confident87.7Confident39 Ų3944.8 Ų44.818%0.18224%0.243CC..Hα-helixtrans-53.9-45.9179-178.7-176.1-158.200111.5L72 R78 L79 N80 F105 N106 Q109L72-E76 PolarHBondContact O-N 3.45Å; E76-R78 PolarHBondContact O-N 2.82Å; E76-L79 PolarHBondContact O-N 2.8Å; E76-N80 PolarHBondContact O-N 3.18Å; E76-F105 HydrophobicContact CB-CB 4.12Å; E76-F105 HydrophobicContact CB-CD2 4.31Å; E76-F105 HydrophobicContact CB-CG 4.13Å; E76-F105 VanDerWaalsContact CD-CB 3.44Å; E76-F105 HydrophobicContact CG-CB 3.83Å; E76-F105 HydrophobicContact CG-CD2 4Å; E76-F105 HydrophobicContact CG-CG 4.07Å; E76-F105 WeakPolarHBondContact OE1-CB 3.32Å; E76-N106 PolarHBondContact OE1-OD1 2.92Å; E76-Q109 PolarHBondContact OE2-NE2 2.78Å
77K83.4Confident87.7Confident107 Ų10744.9 Ų44.947%0.46524%0.243SC..Hα-helixtrans-62.9-27.4177.4-73-177.9173.3-166.80114.1W73 S74 L75W73-K77 HydrophobicContact CD2-CD 4.24Å; W73-K77 HydrophobicContact CE3-CD 4.43Å; W73-K77 HydrophobicContact CZ2-CD 4.37Å; W73-K77 WeakPolarHBondContact O-CG 3.28Å; W73-K77 PolarHBondContact O-N 3.49Å; S74-K77 PolarHBondContact O-N 2.97Å; L75-K77 VanDerWaalsContact C-N 3.28Å; L75-K77 PolarHBondContact O-N 3.36Å
78R84Confident87.7Confident69 Ų6945.7 Ų45.726%0.2625%0.245SC..Hα-helixtrans-81.1-40.9176.5-70.8171.1-168.2-93.5-10.4111.9S74 L75 E76 N80 D325 F327 L330S74-R78 WeakPolarHBondContact O-CG 3.46Å; S74-R78 PolarHBondContact O-N 3.45Å; S74-R78 PolarHBondContact OG-NE 3.49Å; L75-R78 WeakPolarHBondContact O-CB 3.48Å; L75-R78 PolarHBondContact O-N 3.4Å; E76-R78 PolarHBondContact O-N 2.82Å; R78-N80 PolarHBondContact O-N 2.89Å; R78-D325 IonicContact CZ-OD1 3.86Å; R78-D325 IonicContact CZ-OD2 3Å; R78-D325 IonicContact NE-OD2 3.06Å; R78-D325 IonicContact NH1-OD2 3.39Å; R78-D325 IonicContact NH2-OD1 2.99Å; R78-D325 IonicContact NH2-OD2 2.71Å; R78-D325 PolarHBondContact NH2-OD2 3.38Å; R78-F327 PolarHBondContact NH1-O 3.2Å; R78-L330 HydrophobicContact CB-CD2 4.05Å; R78-L330 HydrophobicContact CB-CG 4.46Å
79L84.2Confident87.7Confident6 Ų645.7 Ų45.73%0.03125%0.245CC..Hα-helixtrans-67.1-30.8177-59.2179.4000111.3L20 F23 I24 F28 L75 E76 T81 L85 F105 L330L20-L79 HydrophobicContact CD2-CD1 3.67Å; F23-L79 HydrophobicContact CD1-CD2 3.79Å; F23-L79 HydrophobicContact CE1-CB 3.99Å; F23-L79 HydrophobicContact CE1-CD2 3.7Å; F23-L79 HydrophobicContact CE1-CG 4.32Å; I24-L79 HydrophobicContact CG1-CD2 4.29Å; F28-L79 HydrophobicContact CE2-CD2 4.46Å; L75-L79 HydrophobicContact CD1-CD1 4.03Å; L75-L79 HydrophobicContact CD1-CD2 4.11Å; L75-L79 HydrophobicContact CD1-CG 3.93Å; L75-L79 HydrophobicContact CD2-CD1 4.49Å; L75-L79 HydrophobicContact CG-CD1 3.92Å; L75-L79 HydrophobicContact CG-CG 4.2Å; L75-L79 WeakPolarHBondContact O-CG 3.12Å; L75-L79 PolarHBondContact O-N 3.49Å; E76-L79 PolarHBondContact O-N 2.8Å; L79-T81 HydrophobicContact CB-CG2 4.21Å; L79-T81 PolarHBondContact O-N 3.37Å; L79-L85 HydrophobicContact CD1-CD1 3.92Å; L79-F105 HydrophobicContact CD1-CE2 4.01Å; L79-F105 HydrophobicContact CD1-CZ 3.81Å; L79-L330 HydrophobicContact CD2-CD2 3.96Å
80N76.8Confident87.7Confident140 Ų14047.3 Ų47.375%0.74925%0.253SS*.  trans46.148174.5-167.851000112.2E76 R78E76-N80 PolarHBondContact O-N 3.18Å; R78-N80 PolarHBondContact O-N 2.89Å
81T75.9Confident88Confident22 Ų2246.8 Ų46.814%0.13525%0.25CS..  trans-140142-179.3-170.20000110.3F23 L79 E83 L85F23-T81 HydrophobicContact CE1-CG2 4.3Å; F23-T81 HydrophobicContact CE2-CG2 3.78Å; F23-T81 HydrophobicContact CZ-CG2 3.5Å; L79-T81 HydrophobicContact CB-CG2 4.21Å; L79-T81 PolarHBondContact O-N 3.37Å; T81-E83 VanDerWaalsContact OG1-CB 3.25Å; T81-E83 WeakPolarHBondContact OG1-CB 3.25Å; T81-E83 WeakPolarHBondContact OG1-CG 3.5Å; T81-E83 PolarHBondContact OG1-N 3.47Å; T81-E83 VanDerWaalsContact OG1-N 3.13Å; T81-E83 PolarHBondContact OG1-OE2 3.21Å; T81-L85 HydrophobicContact CG2-CD2 3.97Å
82S75.4Confident88.1Confident110 Ų11045.8 Ų45.877%0.76924%0.244SC*.  trans-101.17.7168.554.80000112.2
83E81Confident88.1Confident106 Ų10646.5 Ų46.550%0.49525%0.248SC..SBendtrans-68.1147.8179.9-65.7161.7161.900111.4K27 T81 L85K27-E83 IonicContact NZ-OE1 3.72Å; K27-E83 IonicContact NZ-OE2 3.44Å; K27-E83 PolarHBondContact NZ-OE2 2.89Å; T81-E83 VanDerWaalsContact OG1-CB 3.25Å; T81-E83 WeakPolarHBondContact OG1-CB 3.25Å; T81-E83 WeakPolarHBondContact OG1-CG 3.5Å; T81-E83 PolarHBondContact OG1-N 3.47Å; T81-E83 VanDerWaalsContact OG1-N 3.13Å; T81-E83 PolarHBondContact OG1-OE2 3.21Å; E83-L85 PolarHBondContact O-N 3.28Å; E83-L85 VanDerWaalsContact O-N 3.12Å
84D88.6Confident88.4Confident82 Ų8243.5 Ų43.544%0.43924%0.237SC..  trans-67.1109167.1178.810.6000109.4G86 H88 Y103D84-G86 PolarHBondContact O-N 3.35Å; D84-G86 WeakPolarHBondContact OD1-CA 3.42Å; D84-G86 PolarHBondContact OD1-N 2.91Å; D84-H88 IonicContact OD1-CE1 3.91Å; D84-H88 IonicContact OD2-CE1 3.67Å; D84-H88 IonicContact OD2-NE2 2.8Å; D84-Y103 HydrophobicContact CB-CD1 4.48Å; D84-Y103 HydrophobicContact CB-CD2 3.92Å; D84-Y103 HydrophobicContact CB-CE2 4.31Å; D84-Y103 HydrophobicContact CB-CG 4.02Å
85L90.6Very high88.7Confident23 Ų2347 Ų4712%0.1225%0.246CC..  trans-78.10.8177.7-58.5-171.1000112.9P19 L20 F23 L79 T81 E83 I87 F105P19-L85 WeakPolarHBondContact CB-O 3.43Å; L20-L85 HydrophobicContact CD2-CD1 3.94Å; F23-L85 HydrophobicContact CB-CD2 4.19Å; F23-L85 HydrophobicContact CD2-CD2 3.2Å; F23-L85 HydrophobicContact CE2-CD2 3.55Å; F23-L85 HydrophobicContact CG-CD2 3.72Å; F23-L85 HydrophobicContact CZ-CD2 4.35Å; L79-L85 HydrophobicContact CD1-CD1 3.92Å; T81-L85 HydrophobicContact CG2-CD2 3.97Å; E83-L85 PolarHBondContact O-N 3.28Å; E83-L85 VanDerWaalsContact O-N 3.12Å; L85-I87 HydrophobicContact CB-CD1 4.12Å; L85-I87 HydrophobicContact CB-CG1 4.11Å; L85-I87 HydrophobicContact CD1-CD1 4.33Å; L85-F105 HydrophobicContact CD1-CE2 3.64Å; L85-F105 HydrophobicContact CD1-CZ 3.79Å
86G91.7Very high88.8Confident45 Ų4550.7 Ų50.746%0.46426%0.263SS..SBendtrans82.21.8-167.800000113D84 H88D84-G86 PolarHBondContact O-N 3.35Å; D84-G86 WeakPolarHBondContact OD1-CA 3.42Å; D84-G86 PolarHBondContact OD1-N 2.91Å; G86-H88 PolarHBondContact O-ND1 2.95Å; G86-H88 VanDerWaalsContact O-ND1 3.12Å
87I94.5Very high89Confident4 Ų456.8 Ų56.82%0.02129%0.289CS..  trans-87.4118.9177.1-52169.6000108V14 V16 P19 L20 L85 W89 Y103 F105V14-I87 HydrophobicContact CG1-CG2 3.67Å; V16-I87 HydrophobicContact CG1-CG2 4.39Å; P19-I87 HydrophobicContact CB-CD1 4.38Å; P19-I87 HydrophobicContact CB-CG1 3.66Å; P19-I87 HydrophobicContact CG-CD1 4.12Å; P19-I87 HydrophobicContact CG-CG1 3.39Å; L20-I87 HydrophobicContact CD1-CD1 4.48Å; L20-I87 HydrophobicContact CD2-CD1 3.8Å; L20-I87 HydrophobicContact CG-CD1 3.79Å; L85-I87 HydrophobicContact CB-CD1 4.12Å; L85-I87 HydrophobicContact CB-CG1 4.11Å; L85-I87 HydrophobicContact CD1-CD1 4.33Å; I87-W89 HydrophobicContact CB-CZ2 4.16Å; I87-W89 HydrophobicContact CD1-CZ2 4.37Å; I87-W89 HydrophobicContact CG2-CD2 3.95Å; I87-W89 HydrophobicContact CG2-CE3 3.96Å; I87-W89 HydrophobicContact CG2-CH2 3.46Å; I87-W89 VanDerWaalsContact CG2-CH2 3.46Å; I87-W89 HydrophobicContact CG2-CZ2 3.39Å; I87-W89 HydrophobicContact CG2-CZ3 3.73Å; I87-Y103 WeakPolarHBondContact O-CA 3.29Å; I87-Y103 WeakPolarHBondContact O-CB 3.48Å; I87-F105 HydrophobicContact CD1-CZ 4.3Å
88H94.5Very high89.4Confident73 Ų7356.5 Ų56.534%0.33829%0.293SS..  trans-118.7105.5178.5-63.371.1000110.4D84 G86 K101D84-H88 IonicContact OD1-CE1 3.91Å; D84-H88 IonicContact OD2-CE1 3.67Å; D84-H88 IonicContact OD2-NE2 2.8Å; G86-H88 PolarHBondContact O-ND1 2.95Å; G86-H88 VanDerWaalsContact O-ND1 3.12Å; H88-K101 HydrophobicContact CB-CD 4.22Å; H88-K101 HydrophobicContact CB-CG 4.07Å
89W95.7Very high89.9Confident0 Ų058.3 Ų58.30%030%0.3CS..EExtended strand (participates in β ladder)trans-71.7139.7174.8-42.1108.3000109.7V14 V16 I87 K101 H102 Y103 S104 F105 F107 E108V14-W89 HydrophobicContact CG1-CE3 4.25Å; V14-W89 HydrophobicContact CG1-CZ3 4.29Å; V16-W89 HydrophobicContact CG1-CH2 3.81Å; V16-W89 HydrophobicContact CG1-CZ3 3.74Å; I87-W89 HydrophobicContact CB-CZ2 4.16Å; I87-W89 HydrophobicContact CD1-CZ2 4.37Å; I87-W89 HydrophobicContact CG2-CD2 3.95Å; I87-W89 HydrophobicContact CG2-CE3 3.96Å; I87-W89 HydrophobicContact CG2-CH2 3.46Å; I87-W89 VanDerWaalsContact CG2-CH2 3.46Å; I87-W89 HydrophobicContact CG2-CZ2 3.39Å; I87-W89 HydrophobicContact CG2-CZ3 3.73Å; W89-K101 CarbonylContact O-C 3.56Å; W89-K101 VanDerWaalsContact O-CA 3.25Å; W89-K101 WeakPolarHBondContact O-CA 3.03Å; W89-H102 WeakPolarHBondContact CB-O 3.49Å; W89-H102 PolarHBondContact N-O 2.86Å; W89-H102 PolarHBondContact O-N 3.42Å; W89-Y103 PolarHBondContact NE1-O 3.4Å; W89-S104 PolarHBondContact NE1-O 3.29Å; W89-F105 HydrophobicContact CH2-CE1 4.28Å; W89-F105 AromaticContact CZ2-CD1 3.75Å; W89-F105 HydrophobicContact CZ2-CD1 3.75Å; W89-F105 AromaticContact CZ2-CE1 3.69Å; W89-F105 HydrophobicContact CZ2-CE1 3.69Å; W89-F107 HydrophobicContact CB-CD1 3.7Å; W89-F107 HydrophobicContact CB-CE1 3.82Å; W89-F107 HydrophobicContact CG-CD1 4.35Å; W89-E108 HydrophobicContact CB-CB 4.48Å; W89-E108 WeakPolarHBondContact CB-OE2 3.42Å; W89-E108 HydrophobicContact CD2-CB 3.69Å; W89-E108 HydrophobicContact CD2-CG 3.94Å; W89-E108 HydrophobicContact CE3-CB 4.12Å; W89-E108 HydrophobicContact CE3-CG 3.81Å; W89-E108 HydrophobicContact CG-CB 3.82Å; W89-E108 HydrophobicContact CG-CG 4.45Å; W89-E108 HydrophobicContact CH2-CG 4.46Å; W89-E108 HydrophobicContact CZ2-CB 4.43Å; W89-E108 HydrophobicContact CZ3-CG 4.09Å
90N96.2Very high90.4Very high33 Ų3359.6 Ų59.618%0.17631%0.31CS..EExtended strand (participates in β ladder)trans-137.5121-177.6-174.842.4000109.6S11 T12 S100S11-N90 WeakPolarHBondContact CA-O 3.22Å; S11-N90 PolarHBondContact OG-O 2.94Å; T12-N90 VanDerWaalsContact CG2-ND2 3.3Å; T12-N90 WeakPolarHBondContact CG2-ND2 3.28Å; T12-N90 PolarHBondContact N-O 3.24Å; T12-N90 WeakPolarHBondContact OG1-CB 3.44Å; T12-N90 PolarHBondContact OG1-ND2 3.4Å; N90-S100 WeakPolarHBondContact CA-O 3.42Å; N90-S100 PolarHBondContact OD1-O 2.87Å
91W97.3Very high91.2Very high5 Ų559.5 Ų59.52%0.01930%0.303CS..EExtended strand (participates in β ladder)trans-132.7137-173-75.793000111.3K9 L10 Y99 S100 F107 E108 N111 I112 C115K9-W91 HydrophobicContact CB-CE3 3.94Å; K9-W91 HydrophobicContact CB-CZ3 4.32Å; L10-W91 WeakPolarHBondContact O-CA 3.35Å; W91-Y99 CarbonylContact O-C 3.51Å; W91-Y99 WeakPolarHBondContact O-CA 3.44Å; W91-S100 PolarHBondContact N-O 3.27Å; W91-S100 PolarHBondContact O-N 3.43Å; W91-F107 HydrophobicContact CB-CZ 4.27Å; W91-F107 AromaticContact CD1-CE1 3.66Å; W91-E108 PolarHBondContact NE1-OE2 2.92Å; W91-N111 HydrophobicContact CB-CB 4.43Å; W91-N111 HydrophobicContact CD2-CB 3.49Å; W91-N111 VanDerWaalsContact CD2-CB 3.49Å; W91-N111 VanDerWaalsContact CE2-CB 3.49Å; W91-N111 HydrophobicContact CE3-CB 4.05Å; W91-N111 HydrophobicContact CG-CB 3.65Å; W91-N111 HydrophobicContact CZ2-CB 4.06Å; W91-I112 HydrophobicContact CH2-CD1 3.75Å; W91-I112 HydrophobicContact CZ2-CD1 3.64Å; W91-I112 HydrophobicContact CZ2-CG1 4.18Å; W91-C115 VanDerWaalsContact CZ3-SG 3.51Å
92S95.7Very high92.1Very high1 Ų161.9 Ų61.91%0.00731%0.312CS..EExtended strand (participates in β ladder)trans-76.7157.4174.1840000111.6K9 L10 H96 N98K9-S92 WeakPolarHBondContact CB-O 3.3Å; K9-S92 WeakPolarHBondContact CE-O 3.48Å; K9-S92 WeakPolarHBondContact CG-O 3.26Å; L10-S92 PolarHBondContact N-OG 2.89Å; L10-S92 PolarHBondContact O-N 3.46Å; S92-H96 PolarHBondContact OG-ND1 2.84Å; S92-N98 CarbonylContact C-O 3.39Å; S92-N98 VanDerWaalsContact CA-O 3.24Å; S92-N98 WeakPolarHBondContact CA-O 3.45Å
93D93.8Very high92.9Very high16 Ų1661.3 Ų61.39%0.08629%0.294CS..  trans-63.7174.6157.363.917.1000111.6W95 H96 K97 N98D93-W95 PolarHBondContact O-N 3Å; D93-W95 VanDerWaalsContact O-N 3.13Å; D93-W95 PolarHBondContact OD1-N 3.42Å; D93-W95 VanDerWaalsContact OD1-N 3.11Å; D93-H96 PolarHBondContact O-N 3.22Å; D93-H96 VanDerWaalsContact O-N 3.15Å; D93-H96 PolarHBondContact O-ND1 3.31Å; D93-H96 WeakPolarHBondContact OD1-CA 3.35Å; D93-H96 PolarHBondContact OD1-N 3.06Å; D93-K97 PolarHBondContact OD1-N 3.39Å; D93-N98 PolarHBondContact N-O 3.24Å; D93-N98 WeakPolarHBondContact OD2-CB 3.46Å; D93-N98 PolarHBondContact OD2-N 2.92Å; D93-N98 PolarHBondContact OD2-ND2 2.9Å
94I93.7Very high93.4Very high4 Ų457.7 Ų57.72%0.02128%0.28CS..THydrogen-bonded Turntrans-63.9-13.5178.863.6163.3000114.2V6 P7 K9 F114 D162 F171 S227V6-I94 HydrophobicContact CG1-CG2 4.5Å; P7-I94 HydrophobicContact CB-CB 4.36Å; K9-I94 HydrophobicContact CG-CG2 4.3Å; I94-F114 HydrophobicContact CG2-CE1 3.85Å; I94-F114 HydrophobicContact CG2-CZ 3.5Å; I94-D162 HydrophobicContact CG2-CB 4.1Å; I94-F171 HydrophobicContact CD1-CZ 4.39Å; I94-S227 WeakPolarHBondContact CD1-O 3.47Å
95W93Very high93.5Very high103 Ų10354.4 Ų54.439%0.3926%0.262SS..THydrogen-bonded Turntrans-101.9-2.6179.7-56.6118.4000113.1D93 K97 K226 P229D93-W95 PolarHBondContact O-N 3Å; D93-W95 VanDerWaalsContact O-N 3.13Å; D93-W95 PolarHBondContact OD1-N 3.42Å; D93-W95 VanDerWaalsContact OD1-N 3.11Å; W95-K97 HydrophobicContact CB-CD 4.25Å; W95-K97 HydrophobicContact CB-CG 4.15Å; W95-K97 PolarHBondContact O-N 2.71Å; W95-K226 PolarHBondContact NE1-O 2.69Å; W95-P229 HydrophobicContact CH2-CB 3.9Å; W95-P229 HydrophobicContact CH2-CG 3.97Å; W95-P229 HydrophobicContact CZ2-CB 4.33Å; W95-P229 HydrophobicContact CZ2-CG 4.22Å
96H92.4Very high93.6Very high77 Ų7758 Ų5836%0.35628%0.281SS..SBendtrans59.527.9-176.8-44.4-49.4000114.3L8 L10 S92 D93L8-H96 PolarHBondContact O-CE1 2.7Å; L10-H96 HydrophobicContact CD1-CB 4.32Å; L10-H96 WeakPolarHBondContact CD1-ND1 3.32Å; L10-H96 VanDerWaalsContact CG-CE1 3.42Å; L10-H96 WeakPolarHBondContact CG-CE1 3.36Å; L10-H96 WeakPolarHBondContact CG-ND1 3.28Å; S92-H96 PolarHBondContact OG-ND1 2.84Å; D93-H96 PolarHBondContact O-N 3.22Å; D93-H96 VanDerWaalsContact O-N 3.15Å; D93-H96 PolarHBondContact O-ND1 3.31Å; D93-H96 WeakPolarHBondContact OD1-CA 3.35Å; D93-H96 PolarHBondContact OD1-N 3.06Å
97K90.1Very high93.7Very high166 Ų16656.6 Ų56.672%0.72226%0.262SS*.SBendtrans-99.7-42-177-69.1-178.7-177.3174.10112.3D93 W95D93-K97 PolarHBondContact OD1-N 3.39Å; W95-K97 HydrophobicContact CB-CD 4.25Å; W95-K97 HydrophobicContact CB-CG 4.15Å; W95-K97 PolarHBondContact O-N 2.71Å
98N92.6Very high93.7Very high102 Ų10256.4 Ų56.455%0.54526%0.261SS..  trans-114.2137.4-178.7-55.3-66.1000109.8S92 D93S92-N98 CarbonylContact C-O 3.39Å; S92-N98 VanDerWaalsContact CA-O 3.24Å; S92-N98 WeakPolarHBondContact CA-O 3.45Å; D93-N98 PolarHBondContact N-O 3.24Å; D93-N98 WeakPolarHBondContact OD2-CB 3.46Å; D93-N98 PolarHBondContact OD2-N 2.92Å; D93-N98 PolarHBondContact OD2-ND2 2.9Å
99Y94.1Very high93.7Very high107 Ų10753.7 Ų53.742%0.4225%0.249SC..EExtended strand (participates in β ladder)trans-115.1128.5177.3-79-100.8000109.9T12 W91T12-Y99 HydrophobicContact CG2-CE1 4.21Å; W91-Y99 CarbonylContact O-C 3.51Å; W91-Y99 WeakPolarHBondContact O-CA 3.44Å
100S94.1Very high93.8Very high33 Ų3353.9 Ų53.923%0.23125%0.251CS..EExtended strand (participates in β ladder)trans-102.8132.9173.6-66.80000109.6N90 W91 F107 S159N90-S100 WeakPolarHBondContact CA-O 3.42Å; N90-S100 PolarHBondContact OD1-O 2.87Å; W91-S100 PolarHBondContact N-O 3.27Å; W91-S100 PolarHBondContact O-N 3.43Å; S100-F107 WeakPolarHBondContact O-CZ 3.32Å; S100-S159 WeakPolarHBondContact CB-O 3.47Å; S100-S159 PolarHBondContact OG-O 3.24Å
101K93.6Very high93.8Very high138 Ų13852.3 Ų52.360%0.624%0.242SC*.EExtended strand (participates in β ladder)trans-116.9131.3-179.2-173.7178.5179.3-178.20110.6H88 W89H88-K101 HydrophobicContact CB-CD 4.22Å; H88-K101 HydrophobicContact CB-CG 4.07Å; W89-K101 CarbonylContact O-C 3.56Å; W89-K101 VanDerWaalsContact O-CA 3.25Å; W89-K101 WeakPolarHBondContact O-CA 3.03Å
102H94.6Very high93.8Very high72 Ų7252.1 Ų52.133%0.33324%0.241SC..EExtended strand (participates in β ladder)trans-151.8155.3178.7-160.1-96.6000111.3W89 S104 F107W89-H102 WeakPolarHBondContact CB-O 3.49Å; W89-H102 PolarHBondContact N-O 2.86Å; W89-H102 PolarHBondContact O-N 3.42Å; H102-S104 VanDerWaalsContact CE1-CB 3.47Å; H102-S104 WeakPolarHBondContact CE1-CB 3.39Å; H102-S104 PolarHBondContact CE1-OG 3.01Å; H102-S104 WeakPolarHBondContact ND1-CB 3.35Å; H102-S104 PolarHBondContact ND1-N 3.45Å; H102-S104 PolarHBondContact ND1-OG 2.86Å; H102-F107 HydrophobicContact CB-CB 3.92Å; H102-F107 HydrophobicContact CB-CD1 3.51Å; H102-F107 HydrophobicContact CB-CD2 3.9Å; H102-F107 HydrophobicContact CB-CE1 3.86Å; H102-F107 HydrophobicContact CB-CE2 4.27Å; H102-F107 HydrophobicContact CB-CG 3.5Å; H102-F107 VanDerWaalsContact CB-CG 3.5Å; H102-F107 HydrophobicContact CB-CZ 4.24Å
103Y92.9Very high93.9Very high98 Ų9852.2 Ų52.238%0.38424%0.242SC..  trans-95.5-21.9-177.166.6-94.2000114.3D84 I87 W89D84-Y103 HydrophobicContact CB-CD1 4.48Å; D84-Y103 HydrophobicContact CB-CD2 3.92Å; D84-Y103 HydrophobicContact CB-CE2 4.31Å; D84-Y103 HydrophobicContact CB-CG 4.02Å; I87-Y103 WeakPolarHBondContact O-CA 3.29Å; I87-Y103 WeakPolarHBondContact O-CB 3.48Å; W89-Y103 PolarHBondContact NE1-O 3.4Å
104S91.8Very high94Very high30 Ų3051.4 Ų51.421%0.2124%0.238CC..  trans-68.5141.4-173.771.50000113.2W89 H102 N106 F107 E108W89-S104 PolarHBondContact NE1-O 3.29Å; H102-S104 VanDerWaalsContact CE1-CB 3.47Å; H102-S104 WeakPolarHBondContact CE1-CB 3.39Å; H102-S104 PolarHBondContact CE1-OG 3.01Å; H102-S104 WeakPolarHBondContact ND1-CB 3.35Å; H102-S104 PolarHBondContact ND1-N 3.45Å; H102-S104 PolarHBondContact ND1-OG 2.86Å; S104-N106 VanDerWaalsContact C-N 3.28Å; S104-N106 PolarHBondContact O-N 3.4Å; S104-F107 WeakPolarHBondContact O-CB 3.3Å; S104-F107 PolarHBondContact O-N 3.34Å; S104-F107 VanDerWaalsContact O-N 3.13Å; S104-F107 WeakPolarHBondContact OG-CB 3.38Å; S104-F107 PolarHBondContact OG-N 3.05Å; S104-E108 PolarHBondContact O-N 3.24Å
105F91.6Very high94.2Very high13 Ų1351.3 Ų51.36%0.05724%0.237CC..Hα-helixtrans-60.6-36.9171.6-73.5-73000112.4L20 L72 E76 L79 L85 I87 W89 F107 E108 Q109L20-F105 HydrophobicContact CD2-CZ 4.22Å; L72-F105 HydrophobicContact CD1-CD1 3.48Å; L72-F105 VanDerWaalsContact CD1-CD1 3.48Å; L72-F105 HydrophobicContact CD1-CE1 3.9Å; L72-F105 HydrophobicContact CG-CD1 4.47Å; E76-F105 HydrophobicContact CB-CB 4.12Å; E76-F105 HydrophobicContact CB-CD2 4.31Å; E76-F105 HydrophobicContact CB-CG 4.13Å; E76-F105 VanDerWaalsContact CD-CB 3.44Å; E76-F105 HydrophobicContact CG-CB 3.83Å; E76-F105 HydrophobicContact CG-CD2 4Å; E76-F105 HydrophobicContact CG-CG 4.07Å; E76-F105 WeakPolarHBondContact OE1-CB 3.32Å; L79-F105 HydrophobicContact CD1-CE2 4.01Å; L79-F105 HydrophobicContact CD1-CZ 3.81Å; L85-F105 HydrophobicContact CD1-CE2 3.64Å; L85-F105 HydrophobicContact CD1-CZ 3.79Å; I87-F105 HydrophobicContact CD1-CZ 4.3Å; W89-F105 HydrophobicContact CH2-CE1 4.28Å; W89-F105 AromaticContact CZ2-CD1 3.75Å; W89-F105 HydrophobicContact CZ2-CD1 3.75Å; W89-F105 AromaticContact CZ2-CE1 3.69Å; W89-F105 HydrophobicContact CZ2-CE1 3.69Å; F105-F107 PolarHBondContact O-N 3.39Å; F105-E108 PolarHBondContact O-N 2.92Å; F105-E108 VanDerWaalsContact O-N 3.12Å; F105-Q109 WeakPolarHBondContact O-CG 3.09Å; F105-Q109 PolarHBondContact O-N 3.15Å
106N91Very high94.4Very high99 Ų9947.6 Ų47.653%0.52922%0.223SC..Hα-helixtrans-54.2-38.7172.5-73.1-25.1000112.8E76 S104 Q109 A110E76-N106 PolarHBondContact OE1-OD1 2.92Å; S104-N106 VanDerWaalsContact C-N 3.28Å; S104-N106 PolarHBondContact O-N 3.4Å; N106-Q109 PolarHBondContact O-N 3.34Å; N106-A110 WeakPolarHBondContact O-CB 3.17Å; N106-A110 PolarHBondContact O-N 3.42Å
107F94.2Very high94.7Very high14 Ų1444 Ų446%0.06121%0.206CC..Hα-helixtrans-68.3-41.3177.3172.3-97.4000112.1W89 W91 S100 H102 S104 F105 N111W89-F107 HydrophobicContact CB-CD1 3.7Å; W89-F107 HydrophobicContact CB-CE1 3.82Å; W89-F107 HydrophobicContact CG-CD1 4.35Å; W91-F107 HydrophobicContact CB-CZ 4.27Å; W91-F107 AromaticContact CD1-CE1 3.66Å; S100-F107 WeakPolarHBondContact O-CZ 3.32Å; H102-F107 HydrophobicContact CB-CB 3.92Å; H102-F107 HydrophobicContact CB-CD1 3.51Å; H102-F107 HydrophobicContact CB-CD2 3.9Å; H102-F107 HydrophobicContact CB-CE1 3.86Å; H102-F107 HydrophobicContact CB-CE2 4.27Å; H102-F107 HydrophobicContact CB-CG 3.5Å; H102-F107 VanDerWaalsContact CB-CG 3.5Å; H102-F107 HydrophobicContact CB-CZ 4.24Å; S104-F107 WeakPolarHBondContact O-CB 3.3Å; S104-F107 PolarHBondContact O-N 3.34Å; S104-F107 VanDerWaalsContact O-N 3.13Å; S104-F107 WeakPolarHBondContact OG-CB 3.38Å; S104-F107 PolarHBondContact OG-N 3.05Å; F105-F107 PolarHBondContact O-N 3.39Å; F107-N111 VanDerWaalsContact CE2-ND2 3.31Å; F107-N111 WeakPolarHBondContact CE2-ND2 3.49Å; F107-N111 WeakPolarHBondContact CZ-ND2 3.47Å; F107-N111 PolarHBondContact O-N 2.7Å; F107-N111 PolarHBondContact O-ND2 2.62Å
108E95.7Very high95Very high0 Ų036 Ų360%017%0.172CC..Hα-helixtrans-63.2-47.1173.2-175.573.2169.800110.7R47 Y68 L72 W89 W91 S104 F105 A110 N111 I112R47-E108 IonicContact CZ-OE1 3.05Å; R47-E108 IonicContact NE-OE1 3.54Å; R47-E108 PolarHBondContact NE-OE1 2.93Å; R47-E108 IonicContact NH2-OE1 2.64Å; R47-E108 PolarHBondContact NH2-OE1 3.01Å; R47-E108 IonicContact NH2-OE2 3.89Å; Y68-E108 HydrophobicContact CE1-CG 4.23Å; Y68-E108 PolarHBondContact OH-OE1 2.96Å; L72-E108 HydrophobicContact CD2-CB 3.95Å; L72-E108 HydrophobicContact CD2-CG 3.53Å; W89-E108 HydrophobicContact CB-CB 4.48Å; W89-E108 WeakPolarHBondContact CB-OE2 3.42Å; W89-E108 HydrophobicContact CD2-CB 3.69Å; W89-E108 HydrophobicContact CD2-CG 3.94Å; W89-E108 HydrophobicContact CE3-CB 4.12Å; W89-E108 HydrophobicContact CE3-CG 3.81Å; W89-E108 HydrophobicContact CG-CB 3.82Å; W89-E108 HydrophobicContact CG-CG 4.45Å; W89-E108 HydrophobicContact CH2-CG 4.46Å; W89-E108 HydrophobicContact CZ2-CB 4.43Å; W89-E108 HydrophobicContact CZ3-CG 4.09Å; W91-E108 PolarHBondContact NE1-OE2 2.92Å; S104-E108 PolarHBondContact O-N 3.24Å; F105-E108 PolarHBondContact O-N 2.92Å; F105-E108 VanDerWaalsContact O-N 3.12Å; E108-A110 VanDerWaalsContact C-N 3.35Å; E108-A110 PolarHBondContact O-N 3.28Å; E108-N111 PolarHBondContact O-N 2.86Å; E108-I112 HydrophobicContact CG-CG1 4.35Å; E108-I112 VanDerWaalsContact O-CG1 3.29Å; E108-I112 WeakPolarHBondContact O-CG1 3.07Å; E108-I112 PolarHBondContact O-N 3.48Å
109Q94.7Very high95.2Very high16 Ų1631.2 Ų31.28%0.07515%0.146CC..Hα-helixtrans-56.8-47.3178.4-73.6175.811.400111.8L72 E76 F105 N106 N111 I112 I113L72-Q109 HydrophobicContact CD2-CB 4.48Å; L72-Q109 HydrophobicContact CD2-CG 3.58Å; L72-Q109 HydrophobicContact CG-CG 3.93Å; E76-Q109 PolarHBondContact OE2-NE2 2.78Å; F105-Q109 WeakPolarHBondContact O-CG 3.09Å; F105-Q109 PolarHBondContact O-N 3.15Å; N106-Q109 PolarHBondContact O-N 3.34Å; Q109-N111 PolarHBondContact O-N 3.02Å; Q109-I112 PolarHBondContact O-N 2.87Å; Q109-I113 VanDerWaalsContact O-CG1 3.32Å; Q109-I113 WeakPolarHBondContact O-CG1 3.27Å; Q109-I113 PolarHBondContact O-N 3.12Å
110A95.8Very high95.4Very high5 Ų526.9 Ų26.94%0.04113%0.13CC..Hα-helixtrans-60.1-43.4179.300000112.5N106 E108 I113 F114 L152 T156 M163N106-A110 WeakPolarHBondContact O-CB 3.17Å; N106-A110 PolarHBondContact O-N 3.42Å; E108-A110 VanDerWaalsContact C-N 3.35Å; E108-A110 PolarHBondContact O-N 3.28Å; A110-I113 PolarHBondContact O-N 3.32Å; A110-F114 WeakPolarHBondContact O-CB 3.44Å; A110-F114 PolarHBondContact O-N 2.81Å; A110-L152 HydrophobicContact CB-CD2 3.97Å; A110-L152 WeakPolarHBondContact O-CD2 3.38Å; A110-T156 HydrophobicContact CB-CG2 3.5Å; A110-M163 HydrophobicContact CB-CE 4.1Å
111N96.8Very high95.5Very high0 Ų025.3 Ų25.30%012%0.119CC..Hα-helixtrans-71-32.5178.1-74.6-75.1000112.8K9 W91 F107 E108 Q109 F114 C115K9-N111 VanDerWaalsContact CE-OD1 3.28Å; K9-N111 WeakPolarHBondContact CE-OD1 3.45Å; K9-N111 PolarHBondContact NZ-OD1 2.88Å; W91-N111 HydrophobicContact CB-CB 4.43Å; W91-N111 HydrophobicContact CD2-CB 3.49Å; W91-N111 VanDerWaalsContact CD2-CB 3.49Å; W91-N111 VanDerWaalsContact CE2-CB 3.49Å; W91-N111 HydrophobicContact CE3-CB 4.05Å; W91-N111 HydrophobicContact CG-CB 3.65Å; W91-N111 HydrophobicContact CZ2-CB 4.06Å; F107-N111 VanDerWaalsContact CE2-ND2 3.31Å; F107-N111 WeakPolarHBondContact CE2-ND2 3.49Å; F107-N111 WeakPolarHBondContact CZ-ND2 3.47Å; F107-N111 PolarHBondContact O-N 2.7Å; F107-N111 PolarHBondContact O-ND2 2.62Å; E108-N111 PolarHBondContact O-N 2.86Å; Q109-N111 PolarHBondContact O-N 3.02Å; N111-F114 WeakPolarHBondContact O-CB 3.22Å; N111-F114 PolarHBondContact O-N 3.46Å; N111-C115 PolarHBondContact O-N 2.94Å; N111-C115 PolarHBondContact O-SG 2.67Å
112I97Very high95.6Very high0 Ų020.4 Ų20.40%010%0.099CC..Hα-helixtrans-68-43.9172.9-67.1-64.8000111.2L65 Y68 H69 W91 E108 Q109 F114 C115 Y116L65-I112 HydrophobicContact CD2-CD1 4.06Å; L65-I112 HydrophobicContact CD2-CG2 4.04Å; Y68-I112 HydrophobicContact CD1-CD1 3.66Å; Y68-I112 HydrophobicContact CD1-CG1 3.84Å; Y68-I112 HydrophobicContact CD1-CG2 4.35Å; Y68-I112 HydrophobicContact CE1-CD1 3.72Å; Y68-I112 HydrophobicContact CE1-CG1 3.73Å; H69-I112 HydrophobicContact CB-CG2 3.86Å; W91-I112 HydrophobicContact CH2-CD1 3.75Å; W91-I112 HydrophobicContact CZ2-CD1 3.64Å; W91-I112 HydrophobicContact CZ2-CG1 4.18Å; E108-I112 HydrophobicContact CG-CG1 4.35Å; E108-I112 VanDerWaalsContact O-CG1 3.29Å; E108-I112 WeakPolarHBondContact O-CG1 3.07Å; E108-I112 PolarHBondContact O-N 3.48Å; Q109-I112 PolarHBondContact O-N 2.87Å; I112-F114 VanDerWaalsContact C-N 3.27Å; I112-F114 PolarHBondContact O-N 3.27Å; I112-C115 PolarHBondContact O-N 2.69Å; I112-Y116 WeakPolarHBondContact O-CB 3.19Å; I112-Y116 PolarHBondContact O-N 3.4Å
113I97.5Very high95.6Very high3 Ų318.2 Ų18.22%0.0159%0.09CC..Hα-helixtrans-61.5-39.6173.6-66.2168.9000110.1H69 Q109 A110 Y116 A117 A148 Y151 L152 F314 I316H69-I113 WeakPolarHBondContact NE2-CD1 3.35Å; Q109-I113 VanDerWaalsContact O-CG1 3.32Å; Q109-I113 WeakPolarHBondContact O-CG1 3.27Å; Q109-I113 PolarHBondContact O-N 3.12Å; A110-I113 PolarHBondContact O-N 3.32Å; I113-Y116 WeakPolarHBondContact O-CB 3.46Å; I113-Y116 PolarHBondContact O-N 3.47Å; I113-A117 WeakPolarHBondContact O-CB 3.08Å; I113-A117 PolarHBondContact O-N 3.37Å; I113-A148 HydrophobicContact CG2-CB 4.09Å; I113-Y151 HydrophobicContact CD1-CD1 4.01Å; I113-Y151 HydrophobicContact CD1-CE1 3.64Å; I113-Y151 HydrophobicContact CG2-CD1 4.46Å; I113-L152 HydrophobicContact CB-CD1 4.39Å; I113-L152 HydrophobicContact CB-CD2 4.02Å; I113-L152 HydrophobicContact CB-CG 4.35Å; I113-L152 HydrophobicContact CG2-CD1 3.92Å; I113-L152 HydrophobicContact CG2-CD2 3.94Å; I113-L152 HydrophobicContact CG2-CG 3.77Å; I113-F314 HydrophobicContact CD1-CE1 4.45Å; I113-F314 HydrophobicContact CG2-CE1 3.99Å; I113-F314 HydrophobicContact CG2-CZ 4.21Å; I113-I316 HydrophobicContact CD1-CD1 4.15Å
114F97.7Very high95.7Very high0 Ų013.6 Ų13.60%07%0.072CC..Hα-helixtrans-59.5-49.7175.2-175.8-76.5000110.8V6 K9 I94 A110 N111 I112 Y116 A117 A118 F149 L152 M163 L168 F171V6-F114 HydrophobicContact CG1-CE1 4Å; V6-F114 HydrophobicContact CG1-CZ 3.68Å; K9-F114 HydrophobicContact CD-CB 4.49Å; K9-F114 HydrophobicContact CD-CD1 3.46Å; K9-F114 VanDerWaalsContact CD-CD1 3.46Å; K9-F114 HydrophobicContact CD-CD2 4.38Å; K9-F114 HydrophobicContact CD-CE1 3.7Å; K9-F114 HydrophobicContact CD-CG 3.86Å; K9-F114 HydrophobicContact CD-CZ 4.24Å; K9-F114 HydrophobicContact CG-CD1 3.67Å; K9-F114 HydrophobicContact CG-CE1 3.61Å; K9-F114 HydrophobicContact CG-CZ 4.39Å; I94-F114 HydrophobicContact CG2-CE1 3.85Å; I94-F114 HydrophobicContact CG2-CZ 3.5Å; A110-F114 WeakPolarHBondContact O-CB 3.44Å; A110-F114 PolarHBondContact O-N 2.81Å; N111-F114 WeakPolarHBondContact O-CB 3.22Å; N111-F114 PolarHBondContact O-N 3.46Å; I112-F114 VanDerWaalsContact C-N 3.27Å; I112-F114 PolarHBondContact O-N 3.27Å; F114-Y116 VanDerWaalsContact C-N 3.28Å; F114-Y116 PolarHBondContact O-N 2.86Å; F114-A117 WeakPolarHBondContact O-CB 3.19Å; F114-A117 PolarHBondContact O-N 2.9Å; F114-A118 HydrophobicContact CD1-CB 4.47Å; F114-A118 HydrophobicContact CE1-CB 4.31Å; F114-A118 WeakPolarHBondContact O-CB 3.38Å; F114-A118 PolarHBondContact O-N 3.1Å; F114-F149 HydrophobicContact CD2-CD1 4.39Å; F114-F149 AromaticContact CD2-CE1 3.83Å; F114-F149 HydrophobicContact CD2-CE1 3.83Å; F114-F149 HydrophobicContact CE2-CD1 4.47Å; F114-F149 AromaticContact CE2-CE1 3.78Å; F114-F149 HydrophobicContact CE2-CE1 3.78Å; F114-F149 HydrophobicContact CG-CE1 4.29Å; F114-F149 HydrophobicContact CZ-CE1 4.16Å; F114-L152 HydrophobicContact CB-CD1 3.84Å; F114-L152 HydrophobicContact CD2-CD1 4.24Å; F114-M163 HydrophobicContact CB-SD 4.26Å; F114-M163 HydrophobicContact CD2-SD 3.44Å; F114-M163 WeakPolarHBondContact CD2-SD 3.39Å; F114-M163 HydrophobicContact CE2-SD 4.09Å; F114-M163 HydrophobicContact CG-SD 4.11Å; F114-L168 HydrophobicContact CD2-CD2 3.96Å; F114-L168 HydrophobicContact CE2-CD2 4.02Å; F114-F171 HydrophobicContact CE2-CD2 4.21Å; F114-F171 AromaticContact CE2-CE2 3.99Å; F114-F171 HydrophobicContact CE2-CE2 3.99Å; F114-F171 HydrophobicContact CZ-CD2 4.47Å; F114-F171 HydrophobicContact CZ-CE2 4.02Å
115C97Very high95.8Very high2 Ų216.4 Ų16.41%0.0148%0.08CC..Hα-helixtrans-64.1-34.3178.2-69.70000112.2L65 W91 N111 I112 A118 A119L65-C115 HydrophobicContact CD1-CB 4.28Å; L65-C115 HydrophobicContact CD2-CB 3.85Å; W91-C115 VanDerWaalsContact CZ3-SG 3.51Å; N111-C115 PolarHBondContact O-N 2.94Å; N111-C115 PolarHBondContact O-SG 2.67Å; I112-C115 PolarHBondContact O-N 2.69Å; C115-A118 PolarHBondContact O-N 3.45Å; C115-A119 WeakPolarHBondContact O-CB 3.19Å; C115-A119 PolarHBondContact O-N 3.45Å
116Y97.6Very high95.7Very high25 Ų2518.9 Ų18.910%0.09810%0.097CC..Hα-helixtrans-62.7-47.8173.5-179.1-100.1000111.3I62 L65 A66 I112 I113 F114 A119 H120 V144 F314 L318I62-Y116 HydrophobicContact CG2-CD2 4.15Å; I62-Y116 HydrophobicContact CG2-CE2 3.54Å; L65-Y116 HydrophobicContact CB-CD2 4.1Å; A66-Y116 HydrophobicContact CB-CD2 4.35Å; A66-Y116 HydrophobicContact CB-CE2 3.85Å; I112-Y116 WeakPolarHBondContact O-CB 3.19Å; I112-Y116 PolarHBondContact O-N 3.4Å; I113-Y116 WeakPolarHBondContact O-CB 3.46Å; I113-Y116 PolarHBondContact O-N 3.47Å; F114-Y116 VanDerWaalsContact C-N 3.28Å; F114-Y116 PolarHBondContact O-N 2.86Å; Y116-A119 PolarHBondContact O-N 2.95Å; Y116-H120 AromaticContact CD1-CD2 3.93Å; Y116-H120 AromaticContact CE1-CD2 3.57Å; Y116-H120 AromaticContact CE1-NE2 3.61Å; Y116-H120 AromaticContact CE2-CD2 3.92Å; Y116-H120 AromaticContact CE2-NE2 3.6Å; Y116-H120 AromaticContact CZ-CD2 3.56Å; Y116-H120 AromaticContact CZ-NE2 3.16Å; Y116-H120 PolarHBondContact O-CD2 2.78Å; Y116-H120 PolarHBondContact O-N 3.29Å; Y116-H120 PolarHBondContact OH-NE2 3.43Å; Y116-H120 VanDerWaalsContact OH-NE2 3.09Å; Y116-V144 HydrophobicContact CD1-CG1 4.39Å; Y116-V144 HydrophobicContact CE1-CG1 3.47Å; Y116-V144 VanDerWaalsContact CE1-CG1 3.47Å; Y116-F314 HydrophobicContact CD1-CZ 4.28Å; Y116-F314 HydrophobicContact CE1-CE2 4.27Å; Y116-F314 HydrophobicContact CE1-CZ 4.28Å; Y116-L318 HydrophobicContact CD1-CD1 4.31Å; Y116-L318 HydrophobicContact CD2-CD1 4.3Å; Y116-L318 HydrophobicContact CE1-CD1 4.48Å; Y116-L318 HydrophobicContact CE2-CD1 4.46Å; Y116-L318 HydrophobicContact CG-CD1 4.22Å
117A98Very high95.7Very high0 Ų016.5 Ų16.50%08%0.081CC..Hα-helixtrans-62-45.8175.100000112I113 F114 H120 S121 A145 A148 F149I113-A117 WeakPolarHBondContact O-CB 3.08Å; I113-A117 PolarHBondContact O-N 3.37Å; F114-A117 WeakPolarHBondContact O-CB 3.19Å; F114-A117 PolarHBondContact O-N 2.9Å; A117-H120 PolarHBondContact O-N 3.27Å; A117-S121 PolarHBondContact O-N 3.44Å; A117-A145 VanDerWaalsContact O-CB 3.28Å; A117-A145 WeakPolarHBondContact O-CB 3.33Å; A117-A148 HydrophobicContact CB-CB 3.57Å; A117-F149 HydrophobicContact CB-CD1 3.95Å; A117-F149 HydrophobicContact CB-CD2 3.92Å; A117-F149 HydrophobicContact CB-CE1 3.67Å; A117-F149 HydrophobicContact CB-CE2 3.64Å; A117-F149 HydrophobicContact CB-CG 4.06Å; A117-F149 HydrophobicContact CB-CZ 3.5Å; A117-F149 VanDerWaalsContact CB-CZ 3.5Å
118A96.9Very high95.3Very high0 Ų019.5 Ų19.50%010%0.097CC..Hα-helixtrans-61.9-46.3177.200000111.4V6 L8 F114 C115 H120 S121 N122V6-A118 HydrophobicContact CB-CB 4.28Å; V6-A118 HydrophobicContact CG1-CB 4.36Å; L8-A118 HydrophobicContact CG-CB 4.06Å; F114-A118 HydrophobicContact CD1-CB 4.47Å; F114-A118 HydrophobicContact CE1-CB 4.31Å; F114-A118 WeakPolarHBondContact O-CB 3.38Å; F114-A118 PolarHBondContact O-N 3.1Å; C115-A118 PolarHBondContact O-N 3.45Å; A118-H120 PolarHBondContact O-N 3.49Å; A118-S121 PolarHBondContact O-N 3.03Å; A118-S121 VanDerWaalsContact O-N 3.12Å; A118-S121 PolarHBondContact O-OG 3.43Å; A118-N122 PolarHBondContact O-N 3.18Å; A118-N122 PolarHBondContact O-ND2 3.38Å
119A96.5Very high94.7Very high0 Ų021.2 Ų21.20%011%0.107CC..Hα-helixtrans-59.7-44.9177.400000111.8L8 I62 L65 C115 Y116 S121 N122 L123L8-A119 HydrophobicContact CD2-CB 4.19Å; I62-A119 HydrophobicContact CD1-CB 4.29Å; I62-A119 HydrophobicContact CG1-CB 3.64Å; L65-A119 HydrophobicContact CD1-CB 4.14Å; C115-A119 WeakPolarHBondContact O-CB 3.19Å; C115-A119 PolarHBondContact O-N 3.45Å; Y116-A119 PolarHBondContact O-N 2.95Å; A119-S121 VanDerWaalsContact C-N 3.35Å; A119-S121 PolarHBondContact O-N 3.06Å; A119-N122 PolarHBondContact O-N 3.18Å; A119-L123 WeakPolarHBondContact O-CB 3.47Å; A119-L123 PolarHBondContact O-N 2.68Å
120H97.7Very high94.1Very high16 Ų1626 Ų267%0.07413%0.133CC..Hα-helixtrans-59.1-43172.7-90.7-69.3000112.4I62 Y116 A117 A118 N122 L123 A124 S141 A145I62-H120 WeakPolarHBondContact CG2-NE2 3.41Å; Y116-H120 AromaticContact CD1-CD2 3.93Å; Y116-H120 AromaticContact CE1-CD2 3.57Å; Y116-H120 AromaticContact CE1-NE2 3.61Å; Y116-H120 AromaticContact CE2-CD2 3.92Å; Y116-H120 AromaticContact CE2-NE2 3.6Å; Y116-H120 AromaticContact CZ-CD2 3.56Å; Y116-H120 AromaticContact CZ-NE2 3.16Å; Y116-H120 PolarHBondContact O-CD2 2.78Å; Y116-H120 PolarHBondContact O-N 3.29Å; Y116-H120 PolarHBondContact OH-NE2 3.43Å; Y116-H120 VanDerWaalsContact OH-NE2 3.09Å; A117-H120 PolarHBondContact O-N 3.27Å; A118-H120 PolarHBondContact O-N 3.49Å; H120-N122 VanDerWaalsContact C-N 3.31Å; H120-N122 PolarHBondContact O-N 3.13Å; H120-L123 PolarHBondContact O-N 3.44Å; H120-A124 WeakPolarHBondContact O-CB 3.37Å; H120-A124 PolarHBondContact O-N 3.16Å; H120-S141 WeakPolarHBondContact CB-O 3.39Å; H120-S141 PolarHBondContact ND1-OG 3.26Å; H120-A145 HydrophobicContact CB-CB 4Å
121S97.3Very high93.6Very high0 Ų028 Ų280%015%0.146CC..Hα-helixtrans-63.9-35.4176.779.30000113C5 V6 A117 A118 A119 K125 M175C5-S121 WeakPolarHBondContact CB-O 3.42Å; V6-S121 PolarHBondContact N-OG 2.98Å; A117-S121 PolarHBondContact O-N 3.44Å; A118-S121 PolarHBondContact O-N 3.03Å; A118-S121 VanDerWaalsContact O-N 3.12Å; A118-S121 PolarHBondContact O-OG 3.43Å; A119-S121 VanDerWaalsContact C-N 3.35Å; A119-S121 PolarHBondContact O-N 3.06Å; S121-K125 PolarHBondContact O-N 3.29Å; S121-M175 WeakPolarHBondContact CB-SD 3.44Å
122N95.6Very high93.1Very high35 Ų3533.2 Ų33.219%0.18717%0.17CC..Hα-helixtrans-72.8-43.5176.6-77.1-83.6000111.2C5 V6 L58 A118 A119 H120 A124 K125 T126C5-N122 HydrophobicContact CB-CB 4.45Å; C5-N122 PolarHBondContact SG-OD1 3.4Å; V6-N122 PolarHBondContact O-ND2 2.88Å; L58-N122 HydrophobicContact CD1-CB 3.66Å; A118-N122 PolarHBondContact O-N 3.18Å; A118-N122 PolarHBondContact O-ND2 3.38Å; A119-N122 PolarHBondContact O-N 3.18Å; H120-N122 VanDerWaalsContact C-N 3.31Å; H120-N122 PolarHBondContact O-N 3.13Å; N122-A124 VanDerWaalsContact C-N 3.34Å; N122-A124 PolarHBondContact O-N 2.95Å; N122-K125 WeakPolarHBondContact O-CB 3.49Å; N122-K125 PolarHBondContact O-N 2.91Å; N122-T126 PolarHBondContact O-N 2.74Å
123L94.6Very high92.7Very high26 Ų2638.1 Ų38.114%0.13619%0.193CC..Hα-helixtrans-62.9-44.2177.5-179.260.9000110.4L58 I62 A119 H120 K125 T126 Y127L58-L123 HydrophobicContact CB-CB 4.13Å; L58-L123 HydrophobicContact CB-CD1 4.16Å; L58-L123 HydrophobicContact CD1-CB 4.22Å; I62-L123 HydrophobicContact CD1-CB 4.16Å; I62-L123 HydrophobicContact CD1-CD2 3.49Å; I62-L123 VanDerWaalsContact CD1-CD2 3.49Å; I62-L123 HydrophobicContact CD1-CG 4.48Å; A119-L123 WeakPolarHBondContact O-CB 3.47Å; A119-L123 PolarHBondContact O-N 2.68Å; H120-L123 PolarHBondContact O-N 3.44Å; L123-K125 PolarHBondContact O-N 2.81Å; L123-T126 PolarHBondContact O-N 3.22Å; L123-T126 PolarHBondContact O-OG1 2.54Å; L123-Y127 HydrophobicContact CD1-CE1 4.47Å; L123-Y127 WeakPolarHBondContact CD2-OH 3.29Å; L123-Y127 HydrophobicContact CG-CE2 3.94Å; L123-Y127 WeakPolarHBondContact CG-OH 3.44Å
124A95Very high92.4Very high2 Ų238.4 Ų38.42%0.01720%0.195CC..Hα-helixtrans-58-33177.700000113.2H120 N122 T126 Y142H120-A124 WeakPolarHBondContact O-CB 3.37Å; H120-A124 PolarHBondContact O-N 3.16Å; N122-A124 VanDerWaalsContact C-N 3.34Å; N122-A124 PolarHBondContact O-N 2.95Å; A124-T126 VanDerWaalsContact C-N 3.33Å; A124-Y142 HydrophobicContact CB-CD1 3.68Å; A124-Y142 HydrophobicContact CB-CD2 3.54Å; A124-Y142 HydrophobicContact CB-CE1 3.57Å; A124-Y142 HydrophobicContact CB-CE2 3.41Å; A124-Y142 VanDerWaalsContact CB-CE2 3.41Å; A124-Y142 HydrophobicContact CB-CG 3.64Å
125K92.6Very high92.1Very high88 Ų8838.5 Ų38.538%0.38320%0.196SC..Hα-helixtrans-71.5-24.6176.3179.8-177.7173.9-171.10113.3F3 C5 S121 N122 L123 Y142F3-K125 HydrophobicContact CB-CG 4.28Å; F3-K125 WeakPolarHBondContact O-CD 3.43Å; F3-K125 WeakPolarHBondContact O-CE 3.4Å; C5-K125 HydrophobicContact CB-CB 4.48Å; C5-K125 HydrophobicContact CB-CD 4.05Å; C5-K125 WeakPolarHBondContact SG-CD 3.3Å; S121-K125 PolarHBondContact O-N 3.29Å; N122-K125 WeakPolarHBondContact O-CB 3.49Å; N122-K125 PolarHBondContact O-N 2.91Å; L123-K125 PolarHBondContact O-N 2.81Å; K125-Y142 WeakPolarHBondContact CA-OH 3.43Å; K125-Y142 PolarHBondContact N-OH 3.29Å
126T91.1Very high91.8Very high66 Ų6641 Ų4141%0.40521%0.208SC..Hα-helixtrans-84.5-16.5-178.963.10000114.5N122 L123 A124N122-T126 PolarHBondContact O-N 2.74Å; L123-T126 PolarHBondContact O-N 3.22Å; L123-T126 PolarHBondContact O-OG1 2.54Å; A124-T126 VanDerWaalsContact C-N 3.33Å
127Y90.5Very high91.7Very high49 Ų4943.3 Ų43.319%0.19222%0.219CC..SBendtrans-66.8142.3-179-73.4-50.5000112.7L123 L129 S134 K137 A138L123-Y127 HydrophobicContact CD1-CE1 4.47Å; L123-Y127 WeakPolarHBondContact CD2-OH 3.29Å; L123-Y127 HydrophobicContact CG-CE2 3.94Å; L123-Y127 WeakPolarHBondContact CG-OH 3.44Å; Y127-L129 PolarHBondContact O-N 2.85Å; Y127-S134 WeakPolarHBondContact CB-OG 3.3Å; Y127-K137 HydrophobicContact CD1-CB 4.25Å; Y127-K137 HydrophobicContact CD2-CB 4.07Å; Y127-K137 HydrophobicContact CE1-CB 3.87Å; Y127-K137 HydrophobicContact CE1-CD 3.9Å; Y127-K137 HydrophobicContact CE2-CB 3.66Å; Y127-K137 HydrophobicContact CG-CB 4.37Å; Y127-A138 VanDerWaalsContact CD2-CA 3.47Å; Y127-A138 HydrophobicContact CD2-CB 3.72Å; Y127-A138 HydrophobicContact CG-CB 4.29Å
128D86Confident91.5Very high76 Ų7643.3 Ų43.341%0.40622%0.219SC..  trans-65.6129.8173.5178.123.7000111.1N130 C131 S134D128-N130 VanDerWaalsContact C-N 3.34Å; D128-N130 WeakPolarHBondContact OD1-CB 3.28Å; D128-N130 PolarHBondContact OD1-N 3.44Å; D128-N130 PolarHBondContact OD1-ND2 3.36Å; D128-N130 VanDerWaalsContact OD1-ND2 3.08Å; D128-C131 PolarHBondContact OD2-N 2.95Å; D128-S134 WeakPolarHBondContact CA-OG 3.34Å; D128-S134 PolarHBondContact N-OG 3.46Å; D128-S134 WeakPolarHBondContact O-CB 3.22Å; D128-S134 PolarHBondContact O-OG 3.11Å
129L83.1Confident91.4Very high37 Ų3743.4 Ų43.419%0.19422%0.219CC..SBendtrans-85.2-8-179.9-56.5175.3000113F3 Y127 L135 L185F3-L129 HydrophobicContact CD2-CD1 4.12Å; F3-L129 HydrophobicContact CD2-CD2 4.18Å; F3-L129 HydrophobicContact CE2-CD1 3.66Å; F3-L129 HydrophobicContact CE2-CD2 3.52Å; F3-L129 HydrophobicContact CE2-CG 4.24Å; F3-L129 HydrophobicContact CZ-CD2 4.21Å; Y127-L129 PolarHBondContact O-N 2.85Å; L129-L135 HydrophobicContact CB-CD2 4.46Å; L129-L135 HydrophobicContact CD2-CD2 3.94Å; L129-L185 HydrophobicContact CB-CD1 4.47Å; L129-L185 HydrophobicContact CD2-CD1 4.3Å
130N82.7Confident91.3Very high117 Ų11745.5 Ų45.563%0.62623%0.234SC*.SBendtrans-95.4-14.6-179.6-59.3-65.7000113.6D128D128-N130 VanDerWaalsContact C-N 3.34Å; D128-N130 WeakPolarHBondContact OD1-CB 3.28Å; D128-N130 PolarHBondContact OD1-N 3.44Å; D128-N130 PolarHBondContact OD1-ND2 3.36Å; D128-N130 VanDerWaalsContact OD1-ND2 3.08Å
131C85.4Confident91.3Very high47 Ų4745.1 Ų45.132%0.31823%0.233SC..  trans-102.2122.9178.9174.90000110.3D128 H133 S134 L135D128-C131 PolarHBondContact OD2-N 2.95Å; C131-H133 VanDerWaalsContact C-N 3.33Å; C131-H133 PolarHBondContact O-N 3.49Å; C131-S134 WeakPolarHBondContact O-CB 3.46Å; C131-S134 PolarHBondContact O-N 2.73Å; C131-L135 PolarHBondContact O-N 3.17Å
132E86.2Confident91.3Very high109 Ų10945.1 Ų45.151%0.50923%0.233SC..Hα-helixtrans-59.3-42.4-179.9168.6161.1-151.900112.5S134 L135 L136 R186E132-S134 VanDerWaalsContact C-N 3.31Å; E132-S134 PolarHBondContact O-N 2.98Å; E132-L135 WeakPolarHBondContact O-CB 3.43Å; E132-L135 PolarHBondContact O-N 2.8Å; E132-L136 WeakPolarHBondContact O-CG 3.21Å; E132-L136 PolarHBondContact O-N 3.17Å; E132-R186 HydrophobicContact CG-CG 3.82Å; E132-R186 IonicContact OE1-NH1 2.74Å; E132-R186 PolarHBondContact OE1-NH1 3.35Å
133H88.7Confident91.4Very high103 Ų10344.5 Ų44.548%0.47723%0.229SC..Hα-helixtrans-61.9-41.2177.5177.1-111.4000111.9C131 L136 K137C131-H133 VanDerWaalsContact C-N 3.33Å; C131-H133 PolarHBondContact O-N 3.49Å; H133-L136 WeakPolarHBondContact O-CB 3.41Å; H133-L136 PolarHBondContact O-N 2.87Å; H133-K137 WeakPolarHBondContact CE1-CE 3.4Å; H133-K137 PolarHBondContact O-N 2.77Å
134S90.4Very high91.5Very high9 Ų944.6 Ų44.66%0.06323%0.231CC..Hα-helixtrans-66.1-38.8175.4-179.30000112Y127 D128 C131 E132 L136 K137 A138Y127-S134 WeakPolarHBondContact CB-OG 3.3Å; D128-S134 WeakPolarHBondContact CA-OG 3.34Å; D128-S134 PolarHBondContact N-OG 3.46Å; D128-S134 WeakPolarHBondContact O-CB 3.22Å; D128-S134 PolarHBondContact O-OG 3.11Å; C131-S134 WeakPolarHBondContact O-CB 3.46Å; C131-S134 PolarHBondContact O-N 2.73Å; E132-S134 VanDerWaalsContact C-N 3.31Å; E132-S134 PolarHBondContact O-N 2.98Å; S134-L136 PolarHBondContact O-N 3.13Å; S134-K137 PolarHBondContact O-N 2.72Å; S134-A138 PolarHBondContact O-N 2.75Å
135L90.3Very high91.7Very high2 Ų244.5 Ų44.51%0.0123%0.23CC..Hα-helixtrans-62.2-39.8172.3-75.6169.4000112.3L129 C131 E132 K137 A138 I139 C182 L185 R186L129-L135 HydrophobicContact CB-CD2 4.46Å; L129-L135 HydrophobicContact CD2-CD2 3.94Å; C131-L135 PolarHBondContact O-N 3.17Å; E132-L135 WeakPolarHBondContact O-CB 3.43Å; E132-L135 PolarHBondContact O-N 2.8Å; L135-K137 VanDerWaalsContact C-N 3.33Å; L135-K137 PolarHBondContact O-N 2.7Å; L135-A138 PolarHBondContact O-N 3.12Å; L135-I139 WeakPolarHBondContact O-CD1 3.34Å; L135-I139 WeakPolarHBondContact O-CG1 3.49Å; L135-I139 PolarHBondContact O-N 3.45Å; L135-C182 HydrophobicContact CD2-CB 4.22Å; L135-L185 HydrophobicContact CD1-CB 4.18Å; L135-L185 HydrophobicContact CD2-CB 4.15Å; L135-L185 HydrophobicContact CD2-CD1 4.45Å; L135-R186 HydrophobicContact CB-CB 4.37Å; L135-R186 HydrophobicContact CD1-CB 3.98Å
136L92.6Very high92Very high54 Ų5440.3 Ų40.328%0.28321%0.212SC..Hα-helixtrans-60.9-41.8175.3-71.3172.8000111.9E132 H133 S134 I139 S140 L304E132-L136 WeakPolarHBondContact O-CG 3.21Å; E132-L136 PolarHBondContact O-N 3.17Å; H133-L136 WeakPolarHBondContact O-CB 3.41Å; H133-L136 PolarHBondContact O-N 2.87Å; S134-L136 PolarHBondContact O-N 3.13Å; L136-I139 HydrophobicContact CD2-CD1 4.45Å; L136-I139 PolarHBondContact O-N 2.99Å; L136-S140 PolarHBondContact O-N 3.43Å; L136-L304 HydrophobicContact CD2-CD1 3.35Å
137K94.2Very high92.3Very high73 Ų7337.9 Ų37.932%0.31720%0.196SC..Hα-helixtrans-63.3-44.3173.8-66.7-176.9173.6-176.70111.6Y127 H133 S134 L135 I139 S140 S141Y127-K137 HydrophobicContact CD1-CB 4.25Å; Y127-K137 HydrophobicContact CD2-CB 4.07Å; Y127-K137 HydrophobicContact CE1-CB 3.87Å; Y127-K137 HydrophobicContact CE1-CD 3.9Å; Y127-K137 HydrophobicContact CE2-CB 3.66Å; Y127-K137 HydrophobicContact CG-CB 4.37Å; H133-K137 WeakPolarHBondContact CE1-CE 3.4Å; H133-K137 PolarHBondContact O-N 2.77Å; S134-K137 PolarHBondContact O-N 2.72Å; L135-K137 VanDerWaalsContact C-N 3.33Å; L135-K137 PolarHBondContact O-N 2.7Å; K137-I139 PolarHBondContact O-N 3.24Å; K137-S140 PolarHBondContact O-N 2.96Å; K137-S141 PolarHBondContact O-N 2.95Å; K137-S141 PolarHBondContact O-OG 2.99Å
138A94.3Very high92.6Very high0 Ų035.5 Ų35.50%019%0.186CC..Hα-helixtrans-60.6-42.5175.600000112.8Y127 S134 L135 Y142Y127-A138 VanDerWaalsContact CD2-CA 3.47Å; Y127-A138 HydrophobicContact CD2-CB 3.72Å; Y127-A138 HydrophobicContact CG-CB 4.29Å; S134-A138 PolarHBondContact O-N 2.75Å; L135-A138 PolarHBondContact O-N 3.12Å; A138-Y142 WeakPolarHBondContact O-CB 3.35Å; A138-Y142 VanDerWaalsContact O-CD2 3.26Å; A138-Y142 WeakPolarHBondContact O-CD2 3.32Å; A138-Y142 PolarHBondContact O-N 3.46Å
139I94.6Very high93.2Very high2 Ų231.9 Ų31.91%0.0117%0.167CC..Hα-helixtrans-59.6-49.1175.3-68.1161.1000109.9L135 L136 K137 K143 C182 N183 I309L135-I139 WeakPolarHBondContact O-CD1 3.34Å; L135-I139 WeakPolarHBondContact O-CG1 3.49Å; L135-I139 PolarHBondContact O-N 3.45Å; L136-I139 HydrophobicContact CD2-CD1 4.45Å; L136-I139 PolarHBondContact O-N 2.99Å; K137-I139 PolarHBondContact O-N 3.24Å; I139-K143 VanDerWaalsContact O-CB 3.25Å; I139-K143 WeakPolarHBondContact O-CB 3.35Å; I139-K143 PolarHBondContact O-N 3.1Å; I139-C182 HydrophobicContact CD1-CB 4.34Å; I139-C182 HydrophobicContact CG1-CB 3.49Å; I139-C182 VanDerWaalsContact CG1-CB 3.49Å; I139-N183 HydrophobicContact CD1-CB 3.83Å; I139-N183 HydrophobicContact CG1-CB 4.32Å; I139-I309 HydrophobicContact CG2-CD1 3.86Å; I139-I309 HydrophobicContact CG2-CG1 3.98Å; I139-I309 HydrophobicContact CG2-CG2 4.43Å
140S95.2Very high93.9Very high45 Ų4533 Ų3332%0.31517%0.173SC..Hα-helixtrans-60.2-50.8179.5-177.70000111.6L136 K137 K143 V144L136-S140 PolarHBondContact O-N 3.43Å; K137-S140 PolarHBondContact O-N 2.96Å; S140-K143 PolarHBondContact O-N 3.48Å; S140-V144 WeakPolarHBondContact O-CG2 3.26Å; S140-V144 PolarHBondContact O-N 3.4Å
141S96.7Very high94.5Very high8 Ų830.1 Ų30.16%0.05615%0.154CC..Hα-helixtrans-63.7-43.9179.7-67.80000112.9H120 K137 K143 V144 A145H120-S141 WeakPolarHBondContact CB-O 3.39Å; H120-S141 PolarHBondContact ND1-OG 3.26Å; K137-S141 PolarHBondContact O-N 2.95Å; K137-S141 PolarHBondContact O-OG 2.99Å; S141-K143 VanDerWaalsContact C-N 3.34Å; S141-K143 PolarHBondContact O-N 2.92Å; S141-V144 PolarHBondContact O-N 3.1Å; S141-A145 WeakPolarHBondContact O-CB 3.47Å; S141-A145 PolarHBondContact O-N 3.11Å
142Y98Very high95.1Very high0 Ų028 Ų280%014%0.139CC..Hα-helixtrans-64.9-37.2175-80.4-52.6000112.6F3 A124 K125 A138 A145 A146 M175 Q178F3-Y142 VanDerWaalsContact CB-OH 3.29Å; F3-Y142 WeakPolarHBondContact CB-OH 3.45Å; F3-Y142 AromaticContact CD1-CE2 3.88Å; F3-Y142 HydrophobicContact CD1-CE2 3.88Å; F3-Y142 HydrophobicContact CE1-CE2 4.27Å; F3-Y142 HydrophobicContact CG-CE2 4.47Å; A124-Y142 HydrophobicContact CB-CD1 3.68Å; A124-Y142 HydrophobicContact CB-CD2 3.54Å; A124-Y142 HydrophobicContact CB-CE1 3.57Å; A124-Y142 HydrophobicContact CB-CE2 3.41Å; A124-Y142 VanDerWaalsContact CB-CE2 3.41Å; A124-Y142 HydrophobicContact CB-CG 3.64Å; K125-Y142 WeakPolarHBondContact CA-OH 3.43Å; K125-Y142 PolarHBondContact N-OH 3.29Å; A138-Y142 WeakPolarHBondContact O-CB 3.35Å; A138-Y142 VanDerWaalsContact O-CD2 3.26Å; A138-Y142 WeakPolarHBondContact O-CD2 3.32Å; A138-Y142 PolarHBondContact O-N 3.46Å; Y142-A145 PolarHBondContact O-N 3.39Å; Y142-A146 WeakPolarHBondContact O-CB 3.31Å; Y142-A146 PolarHBondContact O-N 2.85Å; Y142-M175 HydrophobicContact CD1-SD 3.64Å; Y142-M175 HydrophobicContact CE1-SD 3.87Å; Y142-Q178 HydrophobicContact CD1-CB 4.23Å; Y142-Q178 HydrophobicContact CD2-CB 4.11Å; Y142-Q178 HydrophobicContact CE1-CB 4.31Å; Y142-Q178 HydrophobicContact CE2-CB 4.2Å; Y142-Q178 HydrophobicContact CG-CB 4.16Å
143K97.3Very high95.4Very high21 Ų2123.3 Ų23.39%0.09112%0.12CC..Hα-helixtrans-62-49.2175178.7178.3179.8-74.40110.6I139 S140 S141 A145 A146 E147 V303 I309 T310 E312I139-K143 VanDerWaalsContact O-CB 3.25Å; I139-K143 WeakPolarHBondContact O-CB 3.35Å; I139-K143 PolarHBondContact O-N 3.1Å; S140-K143 PolarHBondContact O-N 3.48Å; S141-K143 VanDerWaalsContact C-N 3.34Å; S141-K143 PolarHBondContact O-N 2.92Å; K143-A145 VanDerWaalsContact C-N 3.33Å; K143-A145 PolarHBondContact O-N 2.99Å; K143-A146 WeakPolarHBondContact O-CB 3.22Å; K143-A146 PolarHBondContact O-N 3.42Å; K143-A146 VanDerWaalsContact O-N 3.11Å; K143-E147 WeakPolarHBondContact CE-OE1 3.5Å; K143-E147 HydrophobicContact CG-CG 4.47Å; K143-E147 VanDerWaalsContact CG-OE1 3.31Å; K143-E147 WeakPolarHBondContact CG-OE1 3.28Å; K143-E147 IonicContact NZ-OE1 3.7Å; K143-E147 PolarHBondContact NZ-OE1 3.39Å; K143-E147 IonicContact NZ-OE2 3.86Å; K143-E147 VanDerWaalsContact O-CG 3.3Å; K143-E147 WeakPolarHBondContact O-CG 3.41Å; K143-E147 PolarHBondContact O-N 3.23Å; K143-V303 HydrophobicContact CD-CG1 4.37Å; K143-I309 HydrophobicContact CB-CG2 4.36Å; K143-I309 HydrophobicContact CD-CG2 3.97Å; K143-I309 HydrophobicContact CG-CG2 4.31Å; K143-T310 WeakPolarHBondContact CE-O 3.39Å; K143-E312 IonicContact NZ-OE2 2.7Å; K143-E312 PolarHBondContact NZ-OE2 2.88Å
144V97.4Very high95.6Very high28 Ų2822.2 Ų22.217%0.1712%0.123CC..Hα-helixtrans-59.6-43.7177.4172.70000111.3Y116 S140 S141 A146 E147 A148Y116-V144 HydrophobicContact CD1-CG1 4.39Å; Y116-V144 HydrophobicContact CE1-CG1 3.47Å; Y116-V144 VanDerWaalsContact CE1-CG1 3.47Å; S140-V144 WeakPolarHBondContact O-CG2 3.26Å; S140-V144 PolarHBondContact O-N 3.4Å; S141-V144 PolarHBondContact O-N 3.1Å; V144-A146 VanDerWaalsContact C-N 3.34Å; V144-A146 PolarHBondContact O-N 3.28Å; V144-E147 PolarHBondContact O-N 2.83Å; V144-A148 VanDerWaalsContact O-CB 3.3Å; V144-A148 WeakPolarHBondContact O-CB 3.05Å; V144-A148 PolarHBondContact O-N 3.49Å
145A98.2Very high95.4Very high0 Ų028 Ų280%015%0.149CC..Hα-helixtrans-60.4-43.6174.900000111.9A117 H120 S141 Y142 K143 E147 A148 F149 M175A117-A145 VanDerWaalsContact O-CB 3.28Å; A117-A145 WeakPolarHBondContact O-CB 3.33Å; H120-A145 HydrophobicContact CB-CB 4Å; S141-A145 WeakPolarHBondContact O-CB 3.47Å; S141-A145 PolarHBondContact O-N 3.11Å; Y142-A145 PolarHBondContact O-N 3.39Å; K143-A145 VanDerWaalsContact C-N 3.33Å; K143-A145 PolarHBondContact O-N 2.99Å; A145-E147 PolarHBondContact O-N 3.02Å; A145-A148 PolarHBondContact O-N 3.03Å; A145-F149 HydrophobicContact CB-CE2 4.45Å; A145-F149 WeakPolarHBondContact O-CD2 3.41Å; A145-F149 PolarHBondContact O-N 3.25Å; A145-M175 HydrophobicContact CB-CB 4.35Å; A145-M175 HydrophobicContact CB-CG 3.91Å; A145-M175 HydrophobicContact CB-SD 4.5Å
146A98.2Very high95Very high0 Ų029.7 Ų29.70%016%0.159CC..Hα-helixtrans-62-43.6178.800000112.5Y142 K143 V144 D150 S172 M175 I176 K311Y142-A146 WeakPolarHBondContact O-CB 3.31Å; Y142-A146 PolarHBondContact O-N 2.85Å; K143-A146 WeakPolarHBondContact O-CB 3.22Å; K143-A146 PolarHBondContact O-N 3.42Å; K143-A146 VanDerWaalsContact O-N 3.11Å; V144-A146 VanDerWaalsContact C-N 3.34Å; V144-A146 PolarHBondContact O-N 3.28Å; A146-D150 WeakPolarHBondContact O-CB 3.3Å; A146-D150 PolarHBondContact O-N 3.11Å; A146-S172 WeakPolarHBondContact O-CB 3.37Å; A146-S172 PolarHBondContact O-OG 3.49Å; A146-M175 HydrophobicContact CB-CB 3.67Å; A146-I176 HydrophobicContact CB-CB 3.9Å; A146-I176 HydrophobicContact CB-CD1 4.48Å; A146-K311 HydrophobicContact CB-CD 4.26Å; A146-K311 HydrophobicContact CB-CG 4.35Å
147E98.2Very high94.5Very high15 Ų1535.6 Ų35.67%0.0719%0.186CC..Hα-helixtrans-68.5-41.2179.4-68.1169170.700111.6K143 V144 A145 D150 Y151 K311 E312 F314K143-E147 WeakPolarHBondContact CE-OE1 3.5Å; K143-E147 HydrophobicContact CG-CG 4.47Å; K143-E147 VanDerWaalsContact CG-OE1 3.31Å; K143-E147 WeakPolarHBondContact CG-OE1 3.28Å; K143-E147 IonicContact NZ-OE1 3.7Å; K143-E147 PolarHBondContact NZ-OE1 3.39Å; K143-E147 IonicContact NZ-OE2 3.86Å; K143-E147 VanDerWaalsContact O-CG 3.3Å; K143-E147 WeakPolarHBondContact O-CG 3.41Å; K143-E147 PolarHBondContact O-N 3.23Å; V144-E147 PolarHBondContact O-N 2.83Å; A145-E147 PolarHBondContact O-N 3.02Å; E147-D150 PolarHBondContact O-N 2.91Å; E147-Y151 WeakPolarHBondContact O-CB 3.32Å; E147-Y151 PolarHBondContact O-N 3.25Å; E147-K311 HydrophobicContact CG-CB 4.21Å; E147-E312 WeakPolarHBondContact CG-O 3.48Å; E147-E312 WeakPolarHBondContact OE1-CB 3.47Å; E147-E312 PolarHBondContact OE1-N 3.49Å; E147-F314 HydrophobicContact CB-CB 4.28Å; E147-F314 HydrophobicContact CB-CD2 4Å
148A97.8Very high93.8Very high0 Ų038 Ų380%020%0.198CC..Hα-helixtrans-64.4-43.8176.500000112.3I113 A117 V144 A145 Y151 L152 F314I113-A148 HydrophobicContact CG2-CB 4.09Å; A117-A148 HydrophobicContact CB-CB 3.57Å; V144-A148 VanDerWaalsContact O-CB 3.3Å; V144-A148 WeakPolarHBondContact O-CB 3.05Å; V144-A148 PolarHBondContact O-N 3.49Å; A145-A148 PolarHBondContact O-N 3.03Å; A148-Y151 WeakPolarHBondContact O-CB 3.45Å; A148-Y151 PolarHBondContact O-N 2.84Å; A148-L152 WeakPolarHBondContact O-CG 3.45Å; A148-L152 PolarHBondContact O-N 3.25Å; A148-F314 HydrophobicContact CB-CD2 4.03Å; A148-F314 HydrophobicContact CB-CE1 4.44Å; A148-F314 HydrophobicContact CB-CE2 3.54Å; A148-F314 HydrophobicContact CB-CZ 3.75Å
149F98Very high93.2Very high0 Ų039.6 Ų39.60%021%0.21CC..Hα-helixtrans-66.3-36.7174.7-72.1-54.2000112.6V6 F114 A117 A145 L152 A153 L168 F171 M175V6-F149 HydrophobicContact CB-CE2 4.33Å; V6-F149 HydrophobicContact CB-CZ 3.84Å; V6-F149 HydrophobicContact CG1-CE1 4.5Å; V6-F149 HydrophobicContact CG1-CZ 3.96Å; V6-F149 HydrophobicContact CG2-CE2 3.79Å; V6-F149 HydrophobicContact CG2-CZ 3.69Å; F114-F149 HydrophobicContact CD2-CD1 4.39Å; F114-F149 AromaticContact CD2-CE1 3.83Å; F114-F149 HydrophobicContact CD2-CE1 3.83Å; F114-F149 HydrophobicContact CE2-CD1 4.47Å; F114-F149 AromaticContact CE2-CE1 3.78Å; F114-F149 HydrophobicContact CE2-CE1 3.78Å; F114-F149 HydrophobicContact CG-CE1 4.29Å; F114-F149 HydrophobicContact CZ-CE1 4.16Å; A117-F149 HydrophobicContact CB-CD1 3.95Å; A117-F149 HydrophobicContact CB-CD2 3.92Å; A117-F149 HydrophobicContact CB-CE1 3.67Å; A117-F149 HydrophobicContact CB-CE2 3.64Å; A117-F149 HydrophobicContact CB-CG 4.06Å; A117-F149 HydrophobicContact CB-CZ 3.5Å; A117-F149 VanDerWaalsContact CB-CZ 3.5Å; A145-F149 HydrophobicContact CB-CE2 4.45Å; A145-F149 WeakPolarHBondContact O-CD2 3.41Å; A145-F149 PolarHBondContact O-N 3.25Å; F149-L152 HydrophobicContact CD1-CD1 4.45Å; F149-L152 PolarHBondContact O-N 2.89Å; F149-A153 WeakPolarHBondContact O-CB 3.35Å; F149-A153 PolarHBondContact O-N 3Å; F149-L168 HydrophobicContact CD1-CD2 3.92Å; F149-F171 HydrophobicContact CB-CB 4.27Å; F149-F171 HydrophobicContact CD1-CB 4.07Å; F149-F171 HydrophobicContact CD1-CD2 4.17Å; F149-F171 HydrophobicContact CD2-CB 3.7Å; F149-F171 HydrophobicContact CE1-CB 4.34Å; F149-F171 AromaticContact CE1-CD2 3.99Å; F149-F171 HydrophobicContact CE1-CD2 3.99Å; F149-F171 HydrophobicContact CE2-CB 4.01Å; F149-F171 HydrophobicContact CG-CB 3.76Å; F149-F171 HydrophobicContact CZ-CB 4.32Å; F149-F171 HydrophobicContact CZ-CD2 4.35Å; F149-M175 HydrophobicContact CD2-CG 4.12Å; F149-M175 HydrophobicContact CE2-CG 4.18Å
150D96.8Very high92.9Very high59 Ų5940.2 Ų40.232%0.31621%0.214SC..Hα-helixtrans-64.9-41.1175.3-159.357.2000111.9A146 E147 A153 S154 K311A146-D150 WeakPolarHBondContact O-CB 3.3Å; A146-D150 PolarHBondContact O-N 3.11Å; E147-D150 PolarHBondContact O-N 2.91Å; D150-A153 PolarHBondContact O-N 3.44Å; D150-S154 PolarHBondContact O-N 3.47Å; D150-S154 PolarHBondContact O-OG 3.31Å; D150-K311 HydrophobicContact CB-CD 4.25Å; D150-K311 IonicContact OD1-NZ 2.74Å; D150-K311 PolarHBondContact OD1-NZ 3.46Å; D150-K311 IonicContact OD2-NZ 3.68Å; D150-K311 PolarHBondContact OD2-NZ 3.27Å
151Y96.5Very high92.6Very high58 Ų5840.5 Ų40.523%0.22721%0.212CC..Hα-helixtrans-60-48.7173.7174.6-94.8000111.2I113 E147 A148 A153 S154 H155 F314 I316I113-Y151 HydrophobicContact CD1-CD1 4.01Å; I113-Y151 HydrophobicContact CD1-CE1 3.64Å; I113-Y151 HydrophobicContact CG2-CD1 4.46Å; E147-Y151 WeakPolarHBondContact O-CB 3.32Å; E147-Y151 PolarHBondContact O-N 3.25Å; A148-Y151 WeakPolarHBondContact O-CB 3.45Å; A148-Y151 PolarHBondContact O-N 2.84Å; Y151-A153 VanDerWaalsContact C-N 3.32Å; Y151-A153 PolarHBondContact O-N 3.34Å; Y151-S154 PolarHBondContact O-N 3.02Å; Y151-S154 VanDerWaalsContact O-N 3.15Å; Y151-S154 PolarHBondContact O-OG 3.02Å; Y151-H155 AromaticContact CD2-CE1 3.89Å; Y151-H155 AromaticContact CD2-ND1 3.58Å; Y151-H155 HydrophobicContact CE1-CB 4.2Å; Y151-H155 HydrophobicContact CE2-CB 4.14Å; Y151-H155 AromaticContact CE2-CD2 3.85Å; Y151-H155 AromaticContact CE2-CE1 3.87Å; Y151-H155 AromaticContact CE2-CG 3.61Å; Y151-H155 AromaticContact CE2-ND1 3.61Å; Y151-H155 AromaticContact CZ-CG 3.88Å; Y151-H155 WeakPolarHBondContact O-CB 3.4Å; Y151-H155 PolarHBondContact O-N 3.41Å; Y151-H155 PolarHBondContact O-ND1 3.03Å; Y151-H155 VanDerWaalsContact O-ND1 3.12Å; Y151-F314 AromaticContact CD1-CD1 3.91Å; Y151-F314 HydrophobicContact CD1-CD1 3.91Å; Y151-F314 HydrophobicContact CD1-CE1 4.33Å; Y151-F314 HydrophobicContact CD2-CB 4.26Å; Y151-F314 HydrophobicContact CD2-CD1 4.11Å; Y151-F314 HydrophobicContact CG-CB 4.15Å; Y151-F314 AromaticContact CG-CD1 3.64Å; Y151-F314 HydrophobicContact CG-CD1 3.64Å; Y151-F314 HydrophobicContact CG-CE1 4.48Å; Y151-F314 HydrophobicContact CG-CG 4.27Å; Y151-I316 HydrophobicContact CE1-CD1 3.72Å; Y151-I316 HydrophobicContact CE2-CD1 4.01Å; Y151-I316 VanDerWaalsContact CZ-CD1 3.41Å; Y151-I316 VanDerWaalsContact OH-CD1 3.31Å; Y151-I316 WeakPolarHBondContact OH-CD1 3.36Å
152L96.7Very high92.3Very high1 Ų140.1 Ų40.11%0.00521%0.209CC..Hα-helixtrans-60-42.9178.1-72.9173.5000112.2A110 I113 F114 A148 F149 S154 H155 T156 M163 L168A110-L152 HydrophobicContact CB-CD2 3.97Å; A110-L152 WeakPolarHBondContact O-CD2 3.38Å; I113-L152 HydrophobicContact CB-CD1 4.39Å; I113-L152 HydrophobicContact CB-CD2 4.02Å; I113-L152 HydrophobicContact CB-CG 4.35Å; I113-L152 HydrophobicContact CG2-CD1 3.92Å; I113-L152 HydrophobicContact CG2-CD2 3.94Å; I113-L152 HydrophobicContact CG2-CG 3.77Å; F114-L152 HydrophobicContact CB-CD1 3.84Å; F114-L152 HydrophobicContact CD2-CD1 4.24Å; A148-L152 WeakPolarHBondContact O-CG 3.45Å; A148-L152 PolarHBondContact O-N 3.25Å; F149-L152 HydrophobicContact CD1-CD1 4.45Å; F149-L152 PolarHBondContact O-N 2.89Å; L152-S154 PolarHBondContact O-N 3.46Å; L152-S154 VanDerWaalsContact O-N 3.15Å; L152-H155 PolarHBondContact O-N 3.49Å; L152-T156 WeakPolarHBondContact CA-OG1 3.39Å; L152-T156 VanDerWaalsContact CD2-OG1 3.3Å; L152-T156 WeakPolarHBondContact CD2-OG1 3.4Å; L152-T156 VanDerWaalsContact O-CB 3.23Å; L152-T156 WeakPolarHBondContact O-CB 3.3Å; L152-T156 PolarHBondContact O-N 2.93Å; L152-T156 VanDerWaalsContact O-N 3.1Å; L152-T156 PolarHBondContact O-OG1 2.88Å; L152-M163 HydrophobicContact CD1-CE 4.41Å; L152-M163 HydrophobicContact CD2-CE 4.25Å; L152-L168 HydrophobicContact CB-CD1 3.83Å; L152-L168 HydrophobicContact CB-CD2 4.19Å; L152-L168 HydrophobicContact CD1-CD2 4.28Å
153A94Very high92Very high12 Ų1240.2 Ų40.210%0.09921%0.21CC..Hα-helixtrans-60.6-24.1179.500000113.4F149 D150 Y151 Q165 L168F149-A153 WeakPolarHBondContact O-CB 3.35Å; F149-A153 PolarHBondContact O-N 3Å; D150-A153 PolarHBondContact O-N 3.44Å; Y151-A153 VanDerWaalsContact C-N 3.32Å; Y151-A153 PolarHBondContact O-N 3.34Å; A153-Q165 HydrophobicContact CB-CG 4.35Å; A153-Q165 WeakPolarHBondContact O-CG 3.49Å; A153-L168 HydrophobicContact CB-CB 3.76Å; A153-L168 HydrophobicContact CB-CD1 4.47Å
154S91.8Very high91.8Very high80 Ų8039.3 Ų39.356%0.55921%0.206SC*.Hα-helixtrans-104.2-19.7-17747.90000114.6D150 Y151 L152D150-S154 PolarHBondContact O-N 3.47Å; D150-S154 PolarHBondContact O-OG 3.31Å; Y151-S154 PolarHBondContact O-N 3.02Å; Y151-S154 VanDerWaalsContact O-N 3.15Å; Y151-S154 PolarHBondContact O-OG 3.02Å; L152-S154 PolarHBondContact O-N 3.46Å; L152-S154 VanDerWaalsContact O-N 3.15Å
155H87.3Confident91.5Very high129 Ų12943.8 Ų43.860%0.59723%0.225SC*.Hα-helixtrans-122.3-1.8-170.7-65.678.2000114.7Y151 L152Y151-H155 AromaticContact CD2-CE1 3.89Å; Y151-H155 AromaticContact CD2-ND1 3.58Å; Y151-H155 HydrophobicContact CE1-CB 4.2Å; Y151-H155 HydrophobicContact CE2-CB 4.14Å; Y151-H155 AromaticContact CE2-CD2 3.85Å; Y151-H155 AromaticContact CE2-CE1 3.87Å; Y151-H155 AromaticContact CE2-CG 3.61Å; Y151-H155 AromaticContact CE2-ND1 3.61Å; Y151-H155 AromaticContact CZ-CG 3.88Å; Y151-H155 WeakPolarHBondContact O-CB 3.4Å; Y151-H155 PolarHBondContact O-N 3.41Å; Y151-H155 PolarHBondContact O-ND1 3.03Å; Y151-H155 VanDerWaalsContact O-ND1 3.12Å; L152-H155 PolarHBondContact O-N 3.49Å
156T81.8Confident91.1Very high38 Ų3847.4 Ų47.423%0.23324%0.242CC..  trans-113.4135-174.4-45.90000111.8A110 L152 M163A110-T156 HydrophobicContact CB-CG2 3.5Å; L152-T156 WeakPolarHBondContact CA-OG1 3.39Å; L152-T156 VanDerWaalsContact CD2-OG1 3.3Å; L152-T156 WeakPolarHBondContact CD2-OG1 3.4Å; L152-T156 VanDerWaalsContact O-CB 3.23Å; L152-T156 WeakPolarHBondContact O-CB 3.3Å; L152-T156 PolarHBondContact O-N 2.93Å; L152-T156 VanDerWaalsContact O-N 3.1Å; L152-T156 PolarHBondContact O-OG1 2.88Å; T156-M163 HydrophobicContact CG2-CE 3.85Å
157E81Confident90.8Very high178 Ų17847.4 Ų47.483%0.83224%0.242SC*.  trans-73.9136.3167.2-65.5-178.2174.300110.4S159E157-S159 PolarHBondContact O-N 3.39Å; E157-S159 VanDerWaalsContact O-N 3.09Å
158Q79.9Confident90.7Very high123 Ų12346.8 Ų46.858%0.57524%0.239SC*.  trans-58.3117.2-178.6179.9-175.9-14.200110.7T164Q158-T164 HydrophobicContact CG-CG2 4.02Å
159S82.4Confident90.5Very high35 Ų3548.3 Ų48.325%0.24525%0.249CC..  trans-117-17.4-178.658.70000114.2S100 E157S100-S159 WeakPolarHBondContact CB-O 3.47Å; S100-S159 PolarHBondContact OG-O 3.24Å; E157-S159 PolarHBondContact O-N 3.39Å; E157-S159 VanDerWaalsContact O-N 3.09Å
160S87.3Confident90.3Very high14 Ų1448.3 Ų48.310%0.09825%0.249CC..SBendtrans-157.4164.9175.556.50000109.4K9 D162 M163K9-S160 PolarHBondContact NZ-OG 3Å; S160-D162 WeakPolarHBondContact CB-OD1 3.49Å; S160-D162 PolarHBondContact O-N 3.34Å; S160-D162 PolarHBondContact OG-OD1 3.49Å; S160-M163 PolarHBondContact O-N 2.73Å; S160-M163 VanDerWaalsContact OG-CG 3.25Å; S160-M163 WeakPolarHBondContact OG-CG 3.37Å
161N89.6Confident90.3Very high52 Ų5245.5 Ų45.528%0.27824%0.235SC..THydrogen-bonded Turntrans-67.3-18.4-173.4-66.5-12.4000113.9D223 I224 S227N161-D223 VanDerWaalsContact ND2-CB 3.32Å; N161-D223 WeakPolarHBondContact ND2-CB 3.44Å; N161-I224 HydrophobicContact CB-CG1 4.18Å; N161-S227 VanDerWaalsContact CB-OG 3.26Å; N161-S227 WeakPolarHBondContact CB-OG 3.25Å; N161-S227 WeakPolarHBondContact O-CB 3.5Å; N161-S227 PolarHBondContact O-OG 3.42Å
162D90.8Very high90.3Very high0 Ų042.8 Ų42.80%022%0.224CC..THydrogen-bonded Turntrans-86.8-10.3172.960.4-47000113.4K9 I94 S160 S227K9-D162 WeakPolarHBondContact CD-OD2 3.35Å; K9-D162 WeakPolarHBondContact CE-OD2 3.37Å; K9-D162 IonicContact NZ-OD1 2.8Å; K9-D162 IonicContact NZ-OD2 3.88Å; K9-D162 PolarHBondContact NZ-OD2 2.93Å; I94-D162 HydrophobicContact CG2-CB 4.1Å; S160-D162 WeakPolarHBondContact CB-OD1 3.49Å; S160-D162 PolarHBondContact O-N 3.34Å; S160-D162 PolarHBondContact OG-OD1 3.49Å; D162-S227 PolarHBondContact N-OG 2.98Å
163M92.2Very high90.2Very high2 Ų242.9 Ų42.91%0.0123%0.225CC..SBendtrans-103.615.7179.5-64-66.8-64.100112.4A110 F114 L152 T156 S160 L168A110-M163 HydrophobicContact CB-CE 4.1Å; F114-M163 HydrophobicContact CB-SD 4.26Å; F114-M163 HydrophobicContact CD2-SD 3.44Å; F114-M163 WeakPolarHBondContact CD2-SD 3.39Å; F114-M163 HydrophobicContact CE2-SD 4.09Å; F114-M163 HydrophobicContact CG-SD 4.11Å; L152-M163 HydrophobicContact CD1-CE 4.41Å; L152-M163 HydrophobicContact CD2-CE 4.25Å; T156-M163 HydrophobicContact CG2-CE 3.85Å; S160-M163 PolarHBondContact O-N 2.73Å; S160-M163 VanDerWaalsContact OG-CG 3.25Å; S160-M163 WeakPolarHBondContact OG-CG 3.37Å; M163-L168 WeakPolarHBondContact O-CD1 3.5Å; M163-L168 HydrophobicContact SD-CD2 4.39Å
164T91.1Very high90.4Very high1 Ų142.3 Ų42.31%0.00622%0.22CC..SBendtrans-72.3151.7173.965.90000110.5Q158 E166 V167 L168 I224Q158-T164 HydrophobicContact CG-CG2 4.02Å; T164-E166 PolarHBondContact O-N 3.34Å; T164-V167 PolarHBondContact O-N 3.45Å; T164-V167 WeakPolarHBondContact OG1-CB 3.36Å; T164-V167 WeakPolarHBondContact OG1-CG2 3.25Å; T164-V167 PolarHBondContact OG1-N 2.85Å; T164-L168 WeakPolarHBondContact O-CB 3.48Å; T164-L168 VanDerWaalsContact O-CG 3.29Å; T164-L168 WeakPolarHBondContact O-CG 3.42Å; T164-L168 PolarHBondContact O-N 2.95Å; T164-I224 HydrophobicContact CG2-CD1 4.25Å; T164-I224 HydrophobicContact CG2-CG1 4.45Å; T164-I224 HydrophobicContact CG2-CG2 4.29Å
165Q91.8Very high90.7Very high123 Ų12338.5 Ų38.558%0.57519%0.193SC*.Hα-helixtrans-56.4-38.4177.8-179.7176.91.300111.2A153 S169A153-Q165 HydrophobicContact CB-CG 4.35Å; A153-Q165 WeakPolarHBondContact O-CG 3.49Å; Q165-S169 WeakPolarHBondContact O-CB 3.41Å; Q165-S169 PolarHBondContact O-N 3.38Å; Q165-S169 PolarHBondContact O-OG 3.49Å
166E89.6Confident91.1Very high76 Ų7632.6 Ų32.636%0.35517%0.166SC..Hα-helixtrans-68.4-46.5-178.7-60.574.2-164.600112T164 S169 V170 I215 L219T164-E166 PolarHBondContact O-N 3.34Å; E166-S169 PolarHBondContact O-N 3.48Å; E166-V170 WeakPolarHBondContact O-CG2 3.29Å; E166-V170 PolarHBondContact O-N 2.81Å; E166-I215 HydrophobicContact CB-CD1 4.07Å; E166-I215 HydrophobicContact CB-CG1 3.72Å; E166-L219 HydrophobicContact CB-CD1 4.33Å; E166-L219 HydrophobicContact CG-CD1 4.21Å
167V92.8Very high91.8Very high0 Ų030.8 Ų30.80%016%0.155CC..Hα-helixtrans-66.8-45.2179.8171.30000110.7T164 S169 V170 F171 I215 I224 V228T164-V167 PolarHBondContact O-N 3.45Å; T164-V167 WeakPolarHBondContact OG1-CB 3.36Å; T164-V167 WeakPolarHBondContact OG1-CG2 3.25Å; T164-V167 PolarHBondContact OG1-N 2.85Å; V167-S169 VanDerWaalsContact C-N 3.31Å; V167-S169 PolarHBondContact O-N 2.88Å; V167-V170 WeakPolarHBondContact O-CB 3.26Å; V167-V170 PolarHBondContact O-N 3.25Å; V167-V170 VanDerWaalsContact O-N 3.15Å; V167-F171 HydrophobicContact CG1-CD2 4.15Å; V167-F171 HydrophobicContact CG1-CE1 4.2Å; V167-F171 HydrophobicContact CG1-CE2 3.54Å; V167-F171 HydrophobicContact CG1-CZ 3.56Å; V167-F171 PolarHBondContact O-N 3.4Å; V167-I215 HydrophobicContact CG2-CD1 4.43Å; V167-I224 HydrophobicContact CG2-CG2 3.72Å; V167-V228 HydrophobicContact CG1-CG2 4.1Å; V167-V228 HydrophobicContact CG2-CG2 4.09Å
168L95Very high92.5Very high1 Ų122.3 Ų22.31%0.00512%0.115CC..Hα-helixtrans-63.3-37.8177-67.5168.8000111.8F114 F149 L152 A153 M163 T164 V170 F171 S172F114-L168 HydrophobicContact CD2-CD2 3.96Å; F114-L168 HydrophobicContact CE2-CD2 4.02Å; F149-L168 HydrophobicContact CD1-CD2 3.92Å; L152-L168 HydrophobicContact CB-CD1 3.83Å; L152-L168 HydrophobicContact CB-CD2 4.19Å; L152-L168 HydrophobicContact CD1-CD2 4.28Å; A153-L168 HydrophobicContact CB-CB 3.76Å; A153-L168 HydrophobicContact CB-CD1 4.47Å; M163-L168 WeakPolarHBondContact O-CD1 3.5Å; M163-L168 HydrophobicContact SD-CD2 4.39Å; T164-L168 WeakPolarHBondContact O-CB 3.48Å; T164-L168 VanDerWaalsContact O-CG 3.29Å; T164-L168 WeakPolarHBondContact O-CG 3.42Å; T164-L168 PolarHBondContact O-N 2.95Å; L168-V170 VanDerWaalsContact C-N 3.34Å; L168-V170 PolarHBondContact O-N 2.89Å; L168-F171 HydrophobicContact CD2-CD2 4.48Å; L168-F171 PolarHBondContact O-N 2.86Å; L168-S172 WeakPolarHBondContact O-CB 3.31Å; L168-S172 PolarHBondContact O-N 3.33Å
169S93.2Very high93.3Very high32 Ų3216.5 Ų16.522%0.2249%0.088CC..Hα-helixtrans-63.2-40174-64.30000111.9Q165 E166 V167 S172 D173Q165-S169 WeakPolarHBondContact O-CB 3.41Å; Q165-S169 PolarHBondContact O-N 3.38Å; Q165-S169 PolarHBondContact O-OG 3.49Å; E166-S169 PolarHBondContact O-N 3.48Å; V167-S169 VanDerWaalsContact C-N 3.31Å; V167-S169 PolarHBondContact O-N 2.88Å; S169-S172 PolarHBondContact O-N 3.4Å; S169-D173 WeakPolarHBondContact O-CB 3.35Å; S169-D173 VanDerWaalsContact O-CG 3.27Å; S169-D173 PolarHBondContact O-N 3.38Å
170V94.2Very high93.8Very high0 Ų014.8 Ų14.80%08%0.076CC..Hα-helixtrans-62.8-45.5173.3168.30000111.1E166 V167 L168 S172 D173 V174 F212 I215 V228E166-V170 WeakPolarHBondContact O-CG2 3.29Å; E166-V170 PolarHBondContact O-N 2.81Å; V167-V170 WeakPolarHBondContact O-CB 3.26Å; V167-V170 PolarHBondContact O-N 3.25Å; V167-V170 VanDerWaalsContact O-N 3.15Å; L168-V170 VanDerWaalsContact C-N 3.34Å; L168-V170 PolarHBondContact O-N 2.89Å; V170-S172 PolarHBondContact O-N 3.43Å; V170-D173 PolarHBondContact O-N 3.3Å; V170-V174 HydrophobicContact CG1-CG2 4.34Å; V170-V174 WeakPolarHBondContact O-CB 3.44Å; V170-V174 VanDerWaalsContact O-CG2 3.26Å; V170-V174 WeakPolarHBondContact O-CG2 3.36Å; V170-V174 PolarHBondContact O-N 3.23Å; V170-F212 HydrophobicContact CG1-CD2 4.27Å; V170-F212 HydrophobicContact CG1-CE1 4.44Å; V170-F212 HydrophobicContact CG1-CE2 3.57Å; V170-F212 HydrophobicContact CG1-CZ 3.69Å; V170-I215 HydrophobicContact CG2-CD1 3.6Å; V170-V228 HydrophobicContact CG1-CG1 4.22Å
171F96.7Very high94Very high1 Ų114.1 Ų14.10%0.0047%0.072CC..Hα-helixtrans-59.5-47.7176.1-65.1-22.4000111.4V6 I94 F114 F149 V167 L168 D173 V174 M175 V228 W232V6-F171 HydrophobicContact CG1-CD2 4.17Å; V6-F171 HydrophobicContact CG1-CE2 3.93Å; V6-F171 HydrophobicContact CG1-CZ 4.14Å; V6-F171 HydrophobicContact CG2-CB 4.15Å; V6-F171 HydrophobicContact CG2-CD1 3.8Å; V6-F171 HydrophobicContact CG2-CD2 4.14Å; V6-F171 HydrophobicContact CG2-CE1 4.2Å; V6-F171 HydrophobicContact CG2-CG 3.77Å; I94-F171 HydrophobicContact CD1-CZ 4.39Å; F114-F171 HydrophobicContact CE2-CD2 4.21Å; F114-F171 AromaticContact CE2-CE2 3.99Å; F114-F171 HydrophobicContact CE2-CE2 3.99Å; F114-F171 HydrophobicContact CZ-CD2 4.47Å; F114-F171 HydrophobicContact CZ-CE2 4.02Å; F149-F171 HydrophobicContact CB-CB 4.27Å; F149-F171 HydrophobicContact CD1-CB 4.07Å; F149-F171 HydrophobicContact CD1-CD2 4.17Å; F149-F171 HydrophobicContact CD2-CB 3.7Å; F149-F171 HydrophobicContact CE1-CB 4.34Å; F149-F171 AromaticContact CE1-CD2 3.99Å; F149-F171 HydrophobicContact CE1-CD2 3.99Å; F149-F171 HydrophobicContact CE2-CB 4.01Å; F149-F171 HydrophobicContact CG-CB 3.76Å; F149-F171 HydrophobicContact CZ-CB 4.32Å; F149-F171 HydrophobicContact CZ-CD2 4.35Å; V167-F171 HydrophobicContact CG1-CD2 4.15Å; V167-F171 HydrophobicContact CG1-CE1 4.2Å; V167-F171 HydrophobicContact CG1-CE2 3.54Å; V167-F171 HydrophobicContact CG1-CZ 3.56Å; V167-F171 PolarHBondContact O-N 3.4Å; L168-F171 HydrophobicContact CD2-CD2 4.48Å; L168-F171 PolarHBondContact O-N 2.86Å; F171-D173 PolarHBondContact O-N 3.07Å; F171-V174 PolarHBondContact O-N 3.28Å; F171-M175 VanDerWaalsContact O-CG 3.26Å; F171-M175 WeakPolarHBondContact O-CG 3.42Å; F171-M175 PolarHBondContact O-N 2.96Å; F171-V228 HydrophobicContact CE1-CG1 4.36Å; F171-W232 AromaticContact CD1-CH2 3.92Å; F171-W232 HydrophobicContact CD1-CH2 3.92Å; F171-W232 AromaticContact CD1-CZ3 3.75Å; F171-W232 HydrophobicContact CD1-CZ3 3.75Å; F171-W232 HydrophobicContact CE1-CH2 4.22Å; F171-W232 HydrophobicContact CE1-CZ3 4.16Å
172S96.7Very high94.1Very high0 Ų011.7 Ų11.70%06%0.058CC..Hα-helixtrans-57-49.6176.5-177.70000112.4A146 L168 S169 V170 V174 M175 I176 K311A146-S172 WeakPolarHBondContact O-CB 3.37Å; A146-S172 PolarHBondContact O-OG 3.49Å; L168-S172 WeakPolarHBondContact O-CB 3.31Å; L168-S172 PolarHBondContact O-N 3.33Å; S169-S172 PolarHBondContact O-N 3.4Å; V170-S172 PolarHBondContact O-N 3.43Å; S172-V174 PolarHBondContact O-N 3.49Å; S172-M175 PolarHBondContact O-N 3.39Å; S172-I176 PolarHBondContact O-N 3.2Å; S172-K311 WeakPolarHBondContact OG-CD 3.47Å; S172-K311 PolarHBondContact OG-NZ 3.08Å
173D95.7Very high94.1Very high4 Ų411.7 Ų11.72%0.0216%0.058CC..Hα-helixtrans-65.6-37.7-176.8-76.5-19000112.3S169 V170 F171 I176 A177 K207 C208S169-D173 WeakPolarHBondContact O-CB 3.35Å; S169-D173 VanDerWaalsContact O-CG 3.27Å; S169-D173 PolarHBondContact O-N 3.38Å; V170-D173 PolarHBondContact O-N 3.3Å; F171-D173 PolarHBondContact O-N 3.07Å; D173-I176 VanDerWaalsContact O-CG2 3.32Å; D173-I176 WeakPolarHBondContact O-CG2 3.41Å; D173-A177 WeakPolarHBondContact O-CB 3.28Å; D173-A177 PolarHBondContact O-N 2.87Å; D173-A177 VanDerWaalsContact O-N 3.1Å; D173-K207 VanDerWaalsContact CG-NZ 3.25Å; D173-K207 IonicContact OD1-NZ 3.52Å; D173-K207 PolarHBondContact OD1-NZ 2.94Å; D173-K207 WeakPolarHBondContact OD2-CD 3.44Å; D173-K207 WeakPolarHBondContact OD2-CE 3.44Å; D173-K207 IonicContact OD2-NZ 3.71Å; D173-K207 PolarHBondContact OD2-NZ 2.96Å; D173-C208 VanDerWaalsContact C-SG 3.55Å
174V96.8Very high93.8Very high0 Ų011.8 Ų11.80%06%0.059CC..Hα-helixtrans-67.5-44.7174.6174.50000110.6L4 V170 F171 S172 I176 A177 Q178 C208 W232 I236L4-V174 HydrophobicContact CB-CG1 4.33Å; L4-V174 HydrophobicContact CD1-CG1 4.01Å; V170-V174 HydrophobicContact CG1-CG2 4.34Å; V170-V174 WeakPolarHBondContact O-CB 3.44Å; V170-V174 VanDerWaalsContact O-CG2 3.26Å; V170-V174 WeakPolarHBondContact O-CG2 3.36Å; V170-V174 PolarHBondContact O-N 3.23Å; F171-V174 PolarHBondContact O-N 3.28Å; S172-V174 PolarHBondContact O-N 3.49Å; V174-I176 PolarHBondContact O-N 3.37Å; V174-A177 PolarHBondContact O-N 3.35Å; V174-Q178 HydrophobicContact CG1-CG 4.44Å; V174-Q178 VanDerWaalsContact O-CG 3.3Å; V174-Q178 WeakPolarHBondContact O-CG 3.03Å; V174-Q178 PolarHBondContact O-N 3.47Å; V174-C208 HydrophobicContact CG2-CB 4.43Å; V174-W232 HydrophobicContact CB-CE3 4.47Å; V174-W232 HydrophobicContact CB-CZ3 3.94Å; V174-W232 HydrophobicContact CG1-CE3 4.25Å; V174-W232 HydrophobicContact CG1-CH2 4.38Å; V174-W232 HydrophobicContact CG1-CZ3 3.85Å; V174-W232 HydrophobicContact CG2-CE3 4.05Å; V174-W232 HydrophobicContact CG2-CZ3 3.94Å; V174-I236 HydrophobicContact CG2-CD1 3.5Å; V174-I236 HydrophobicContact CG2-CG1 4.43Å
175M97.9Very high93.6Very high0 Ų014 Ų140%07%0.07CC..Hα-helixtrans-62.4-43-179.9-67.2-45.311500112V6 S121 Y142 A145 A146 F149 F171 S172 A177 Q178 A179 W232V6-M175 HydrophobicContact CG2-CE 4.1Å; S121-M175 WeakPolarHBondContact CB-SD 3.44Å; Y142-M175 HydrophobicContact CD1-SD 3.64Å; Y142-M175 HydrophobicContact CE1-SD 3.87Å; A145-M175 HydrophobicContact CB-CB 4.35Å; A145-M175 HydrophobicContact CB-CG 3.91Å; A145-M175 HydrophobicContact CB-SD 4.5Å; A146-M175 HydrophobicContact CB-CB 3.67Å; F149-M175 HydrophobicContact CD2-CG 4.12Å; F149-M175 HydrophobicContact CE2-CG 4.18Å; F171-M175 VanDerWaalsContact O-CG 3.26Å; F171-M175 WeakPolarHBondContact O-CG 3.42Å; F171-M175 PolarHBondContact O-N 2.96Å; S172-M175 PolarHBondContact O-N 3.39Å; M175-A177 PolarHBondContact O-N 2.89Å; M175-Q178 PolarHBondContact O-N 2.9Å; M175-A179 PolarHBondContact O-N 3Å; M175-W232 HydrophobicContact CE-CH2 3.76Å; M175-W232 HydrophobicContact CE-CZ3 4.34Å
176I97.4Very high93.2Very high5 Ų510.1 Ų10.13%0.0265%0.051CC..Hα-helixtrans-69.9-32.7178.3-164.461.8000112.5A146 S172 D173 V174 Q178 A179 N180 L204 I309 K311A146-I176 HydrophobicContact CB-CB 3.9Å; A146-I176 HydrophobicContact CB-CD1 4.48Å; S172-I176 PolarHBondContact O-N 3.2Å; D173-I176 VanDerWaalsContact O-CG2 3.32Å; D173-I176 WeakPolarHBondContact O-CG2 3.41Å; V174-I176 PolarHBondContact O-N 3.37Å; I176-Q178 VanDerWaalsContact C-N 3.34Å; I176-A179 HydrophobicContact CD1-CB 4.43Å; I176-A179 PolarHBondContact O-N 2.85Å; I176-N180 PolarHBondContact O-N 3.42Å; I176-N180 PolarHBondContact O-ND2 2.77Å; I176-L204 HydrophobicContact CG2-CD1 4.33Å; I176-L204 HydrophobicContact CG2-CD2 4.18Å; I176-I309 HydrophobicContact CD1-CG2 4Å; I176-K311 HydrophobicContact CB-CD 4.49Å; I176-K311 HydrophobicContact CB-CG 4.18Å; I176-K311 HydrophobicContact CD1-CG 3.9Å; I176-K311 HydrophobicContact CG1-CG 3.87Å
177A96.7Very high92.6Very high0 Ų07.8 Ų7.80%04%0.04CC..Hα-helixtrans-62.1-43.8171.800000111D173 V174 M175 N180 E181 L204 Y205D173-A177 WeakPolarHBondContact O-CB 3.28Å; D173-A177 PolarHBondContact O-N 2.87Å; D173-A177 VanDerWaalsContact O-N 3.1Å; V174-A177 PolarHBondContact O-N 3.35Å; M175-A177 PolarHBondContact O-N 2.89Å; A177-N180 PolarHBondContact O-N 3.09Å; A177-E181 WeakPolarHBondContact O-CG 3.26Å; A177-E181 PolarHBondContact O-N 3.45Å; A177-L204 HydrophobicContact CB-CB 3.89Å; A177-L204 HydrophobicContact CB-CD1 4.27Å; A177-Y205 HydrophobicContact CB-CD1 3.86Å; A177-Y205 HydrophobicContact CB-CD2 4.44Å; A177-Y205 HydrophobicContact CB-CE1 3.48Å; A177-Y205 VanDerWaalsContact CB-CE1 3.48Å; A177-Y205 HydrophobicContact CB-CE2 4.1Å; A177-Y205 HydrophobicContact CB-CG 4.32Å
178Q95.7Very high91.3Very high0 Ų015.6 Ų15.60%07%0.07CC..Hα-helixtrans-68.4-36.7178-67.9-170.6137.500113.3F3 L4 Y142 V174 M175 I176 N180 E181 C182 Y205F3-Q178 HydrophobicContact CD1-CB 3.91Å; F3-Q178 HydrophobicContact CD1-CG 3.92Å; F3-Q178 HydrophobicContact CE1-CB 4.01Å; F3-Q178 HydrophobicContact CE1-CG 4.29Å; L4-Q178 PolarHBondContact O-NE2 2.8Å; Y142-Q178 HydrophobicContact CD1-CB 4.23Å; Y142-Q178 HydrophobicContact CD2-CB 4.11Å; Y142-Q178 HydrophobicContact CE1-CB 4.31Å; Y142-Q178 HydrophobicContact CE2-CB 4.2Å; Y142-Q178 HydrophobicContact CG-CB 4.16Å; V174-Q178 HydrophobicContact CG1-CG 4.44Å; V174-Q178 VanDerWaalsContact O-CG 3.3Å; V174-Q178 WeakPolarHBondContact O-CG 3.03Å; V174-Q178 PolarHBondContact O-N 3.47Å; M175-Q178 PolarHBondContact O-N 2.9Å; I176-Q178 VanDerWaalsContact C-N 3.34Å; Q178-N180 VanDerWaalsContact C-N 3.29Å; Q178-N180 PolarHBondContact O-N 3.09Å; Q178-E181 WeakPolarHBondContact O-CB 3.42Å; Q178-E181 PolarHBondContact O-N 3.2Å; Q178-E181 VanDerWaalsContact O-N 3.15Å; Q178-C182 PolarHBondContact O-N 3.24Å; Q178-C182 PolarHBondContact O-SG 2.88Å; Q178-C182 VanDerWaalsContact O-SG 3.38Å; Q178-Y205 WeakPolarHBondContact CG-OH 3.41Å
179A95.5Very high89.5Confident0 Ų021.2 Ų21.20%010%0.1CC..Hα-helixtrans-58.6-42.7171.900000111.5M175 I176 C182 N183 I309M175-A179 PolarHBondContact O-N 3Å; I176-A179 HydrophobicContact CD1-CB 4.43Å; I176-A179 PolarHBondContact O-N 2.85Å; A179-C182 PolarHBondContact O-N 3.41Å; A179-N183 PolarHBondContact O-N 3.42Å; A179-I309 HydrophobicContact CB-CG2 4.2Å
180N93.8Very high87.6Confident0 Ų024.7 Ų24.70%012%0.116CC..Hα-helixtrans-69-34.3175.1-78.9-83.8000112.5I176 A177 Q178 N183 F184 I201 L204 I309I176-N180 PolarHBondContact O-N 3.42Å; I176-N180 PolarHBondContact O-ND2 2.77Å; A177-N180 PolarHBondContact O-N 3.09Å; Q178-N180 VanDerWaalsContact C-N 3.29Å; Q178-N180 PolarHBondContact O-N 3.09Å; N180-N183 PolarHBondContact O-N 3.07Å; N180-F184 WeakPolarHBondContact O-CB 3.32Å; N180-F184 PolarHBondContact O-N 3.39Å; N180-I201 HydrophobicContact CB-CD1 4.28Å; N180-I201 HydrophobicContact CB-CG1 3.66Å; N180-L204 HydrophobicContact CB-CD1 4.43Å; N180-I309 PolarHBondContact ND2-O 3.36Å; N180-I309 PolarHBondContact OD1-N 2.78Å
181E92Very high85.9Confident0 Ų030.3 Ų30.30%014%0.142CC..Hα-helixtrans-61-43.8170.5-69-175.4120.900111.8F3 A177 Q178 N183 F184 L185 I201 Y205 K239 Y243F3-E181 HydrophobicContact CE1-CB 4.07Å; F3-E181 HydrophobicContact CZ-CB 4.24Å; A177-E181 WeakPolarHBondContact O-CG 3.26Å; A177-E181 PolarHBondContact O-N 3.45Å; Q178-E181 WeakPolarHBondContact O-CB 3.42Å; Q178-E181 PolarHBondContact O-N 3.2Å; Q178-E181 VanDerWaalsContact O-N 3.15Å; E181-N183 VanDerWaalsContact C-N 3.33Å; E181-N183 PolarHBondContact O-N 3.23Å; E181-F184 WeakPolarHBondContact O-CB 3.36Å; E181-F184 PolarHBondContact O-N 3.39Å; E181-L185 WeakPolarHBondContact O-CG 3.09Å; E181-L185 PolarHBondContact O-N 3.24Å; E181-I201 HydrophobicContact CG-CD1 4.36Å; E181-I201 HydrophobicContact CG-CG2 4.05Å; E181-Y205 HydrophobicContact CG-CE2 3.98Å; E181-Y205 PolarHBondContact OE1-OH 3.15Å; E181-Y205 PolarHBondContact OE2-OH 3.41Å; E181-K239 WeakPolarHBondContact OE1-CD 3.49Å; E181-K239 IonicContact OE1-NZ 2.69Å; E181-K239 IonicContact OE2-NZ 3.87Å; E181-K239 PolarHBondContact OE2-NZ 3.34Å; E181-Y243 HydrophobicContact CG-CE2 3.83Å; E181-Y243 WeakPolarHBondContact CG-OH 3.35Å; E181-Y243 VanDerWaalsContact OE1-CE2 3.26Å; E181-Y243 WeakPolarHBondContact OE1-CE2 3.24Å
182C91.5Very high84.5Confident0 Ų033.7 Ų33.70%016%0.164CC..Hα-helixtrans-61.8-41.8175.3-66.30000111.3L135 I139 Q178 A179 F184 L185 R186L135-C182 HydrophobicContact CD2-CB 4.22Å; I139-C182 HydrophobicContact CD1-CB 4.34Å; I139-C182 HydrophobicContact CG1-CB 3.49Å; I139-C182 VanDerWaalsContact CG1-CB 3.49Å; Q178-C182 PolarHBondContact O-N 3.24Å; Q178-C182 PolarHBondContact O-SG 2.88Å; Q178-C182 VanDerWaalsContact O-SG 3.38Å; A179-C182 PolarHBondContact O-N 3.41Å; C182-F184 VanDerWaalsContact C-N 3.35Å; C182-F184 PolarHBondContact O-N 2.7Å; C182-L185 PolarHBondContact O-N 3.07Å; C182-R186 PolarHBondContact O-N 2.78Å
183N89.1Confident83.2Confident0 Ų036.4 Ų36.40%018%0.177CC..Hα-helixtrans-65.8-37.5176-16035.5000112.4I139 A179 N180 E181 L185 R186 L187 D307 I309I139-N183 HydrophobicContact CD1-CB 3.83Å; I139-N183 HydrophobicContact CG1-CB 4.32Å; A179-N183 PolarHBondContact O-N 3.42Å; N180-N183 PolarHBondContact O-N 3.07Å; E181-N183 VanDerWaalsContact C-N 3.33Å; E181-N183 PolarHBondContact O-N 3.23Å; N183-L185 PolarHBondContact O-N 2.93Å; N183-R186 WeakPolarHBondContact O-CB 3.48Å; N183-R186 PolarHBondContact O-N 3.2Å; N183-R186 PolarHBondContact OD1-NE 3.34Å; N183-R186 PolarHBondContact OD1-NH2 3.42Å; N183-L187 WeakPolarHBondContact O-CG 3.26Å; N183-L187 PolarHBondContact O-N 2.94Å; N183-L187 VanDerWaalsContact O-N 3.14Å; N183-D307 PolarHBondContact ND2-O 2.85Å; N183-I309 HydrophobicContact CB-CD1 4.28Å; N183-I309 HydrophobicContact CB-CG1 3.94Å
184F87Confident82.2Confident5 Ų537.4 Ų37.42%0.02218%0.18CC..Hα-helixtrans-61-40.6172.1167-93.3000112.7N180 E181 C182 R186 Y194 I197 V198 I201 Y243 L246N180-F184 WeakPolarHBondContact O-CB 3.32Å; N180-F184 PolarHBondContact O-N 3.39Å; E181-F184 WeakPolarHBondContact O-CB 3.36Å; E181-F184 PolarHBondContact O-N 3.39Å; C182-F184 VanDerWaalsContact C-N 3.35Å; C182-F184 PolarHBondContact O-N 2.7Å; F184-R186 VanDerWaalsContact C-N 3.3Å; F184-Y194 HydrophobicContact CD2-CD1 4.26Å; F184-Y194 HydrophobicContact CD2-CD2 4.27Å; F184-Y194 AromaticContact CD2-CE1 3.85Å; F184-Y194 HydrophobicContact CD2-CE1 3.85Å; F184-Y194 AromaticContact CD2-CE2 3.8Å; F184-Y194 HydrophobicContact CD2-CE2 3.8Å; F184-Y194 HydrophobicContact CD2-CG 4.47Å; F184-Y194 AromaticContact CD2-CZ 3.58Å; F184-Y194 WeakPolarHBondContact CE1-OH 3.47Å; F184-Y194 AromaticContact CE2-CD1 3.63Å; F184-Y194 HydrophobicContact CE2-CD1 3.63Å; F184-Y194 HydrophobicContact CE2-CD2 4.34Å; F184-Y194 AromaticContact CE2-CE1 2.99Å; F184-Y194 HydrophobicContact CE2-CE1 2.99Å; F184-Y194 AromaticContact CE2-CE2 3.79Å; F184-Y194 HydrophobicContact CE2-CE2 3.79Å; F184-Y194 HydrophobicContact CE2-CG 4.26Å; F184-Y194 AromaticContact CE2-CZ 3.07Å; F184-Y194 VanDerWaalsContact CE2-OH 3.25Å; F184-Y194 WeakPolarHBondContact CE2-OH 3.47Å; F184-Y194 HydrophobicContact CG-CE2 4.45Å; F184-Y194 HydrophobicContact CZ-CD1 4.46Å; F184-Y194 AromaticContact CZ-CE1 3.45Å; F184-Y194 HydrophobicContact CZ-CE1 3.45Å; F184-Y194 VanDerWaalsContact CZ-CE1 3.45Å; F184-Y194 HydrophobicContact CZ-CE2 4.38Å; F184-Y194 AromaticContact CZ-CZ 3.38Å; F184-Y194 WeakPolarHBondContact CZ-OH 3.43Å; F184-Y194 WeakPolarHBondContact O-CE2 3.32Å; F184-I197 HydrophobicContact CB-CG2 3.88Å; F184-I197 HydrophobicContact CD2-CG2 4.49Å; F184-V198 HydrophobicContact CD2-CG2 3.66Å; F184-V198 HydrophobicContact CE2-CG2 3.21Å; F184-V198 HydrophobicContact CZ-CG2 4.2Å; F184-I201 HydrophobicContact CB-CD1 3.76Å; F184-I201 HydrophobicContact CG-CD1 4.2Å; F184-Y243 HydrophobicContact CD1-CE1 4.07Å; F184-Y243 HydrophobicContact CD2-CE1 4.36Å; F184-Y243 HydrophobicContact CE1-CE1 4.09Å; F184-Y243 HydrophobicContact CE2-CE1 4.33Å; F184-Y243 HydrophobicContact CG-CE1 4.21Å; F184-Y243 HydrophobicContact CZ-CE1 4.21Å; F184-L246 HydrophobicContact CE2-CD1 4.45Å; F184-L246 HydrophobicContact CZ-CD1 3.85Å
185L86.1Confident81.2Confident46 Ų4640.5 Ų40.524%0.24119%0.192CC..Hα-helixtrans-68.4-30175.8-68.4174.6000112.5F3 L129 L135 E181 C182 N183 R188F3-L185 HydrophobicContact CE2-CD1 4.49Å; F3-L185 HydrophobicContact CZ-CD1 4.32Å; L129-L185 HydrophobicContact CB-CD1 4.47Å; L129-L185 HydrophobicContact CD2-CD1 4.3Å; L135-L185 HydrophobicContact CD1-CB 4.18Å; L135-L185 HydrophobicContact CD2-CB 4.15Å; L135-L185 HydrophobicContact CD2-CD1 4.45Å; E181-L185 WeakPolarHBondContact O-CG 3.09Å; E181-L185 PolarHBondContact O-N 3.24Å; C182-L185 PolarHBondContact O-N 3.07Å; N183-L185 PolarHBondContact O-N 2.93Å; L185-R188 WeakPolarHBondContact O-CG 3.16Å
186R83.7Confident80.5Confident43 Ų4347.8 Ų47.816%0.16222%0.22CC..Hα-helixtrans-71.6-47.9-179.7-170.7-177.864.381.84.6112.7E132 L135 C182 N183 F184 R188E132-R186 HydrophobicContact CG-CG 3.82Å; E132-R186 IonicContact OE1-NH1 2.74Å; E132-R186 PolarHBondContact OE1-NH1 3.35Å; L135-R186 HydrophobicContact CB-CB 4.37Å; L135-R186 HydrophobicContact CD1-CB 3.98Å; C182-R186 PolarHBondContact O-N 2.78Å; N183-R186 WeakPolarHBondContact O-CB 3.48Å; N183-R186 PolarHBondContact O-N 3.2Å; N183-R186 PolarHBondContact OD1-NE 3.34Å; N183-R186 PolarHBondContact OD1-NH2 3.42Å; F184-R186 VanDerWaalsContact C-N 3.3Å; R186-R188 PolarHBondContact O-N 3.09Å
187L78.1Confident80Confident27 Ų2747.6 Ų47.614%0.14122%0.219CC..SBendtrans-72.529-172.5-70168.3000115.4N183 N189 D190 I197N183-L187 WeakPolarHBondContact O-CG 3.26Å; N183-L187 PolarHBondContact O-N 2.94Å; N183-L187 VanDerWaalsContact O-N 3.14Å; L187-N189 PolarHBondContact O-N 3.22Å; L187-D190 PolarHBondContact O-N 3.49Å; L187-I197 HydrophobicContact CD1-CD1 3.12Å
188R64.2Low79.6Confident164 Ų16447.6 Ų47.662%0.61922%0.219SC*.THydrogen-bonded Turntrans-30.390-172.7-66.9-177.6176.5-162.81.6114.5L185 R186L185-R188 WeakPolarHBondContact O-CG 3.16Å; R186-R188 PolarHBondContact O-N 3.09Å
189N57.8Low79.3Confident118 Ų11850 Ų5063%0.63123%0.231SC*.THydrogen-bonded Turntrans70.540.5169.8-58-29.1000119.8L187L187-N189 PolarHBondContact O-N 3.22Å
190D53.8Low79.1Confident105 Ų10552.1 Ų52.156%0.56124%0.241SC*.  trans-88.4123.1162.3-82.3-29.5000112.4L187 Y194L187-D190 PolarHBondContact O-N 3.49Å; D190-Y194 WeakPolarHBondContact O-CB 3.29Å; D190-Y194 PolarHBondContact O-N 3.35Å
191E57.5Low79Confident118 Ų11852.1 Ų52.155%0.55124%0.241SC*.THydrogen-bonded Turntrans-98.917-149.4-98.9-101.5140.400119.2
192P66.9Low79.1Confident73 Ų7353.5 Ų53.547%0.47425%0.249SC..THydrogen-bonded Turntrans-113.5-27.414429.7-32.8000115.2
193E69.2Low79.2Confident56 Ų5660.8 Ų60.826%0.26228%0.28SS..Hα-helixtrans-67.6-40.6-175.8-62.877.6-163.500111R195 R196 I197 D307E193-R195 VanDerWaalsContact C-N 3.31Å; E193-R195 PolarHBondContact O-N 3.23Å; E193-R196 PolarHBondContact O-N 3.33Å; E193-R196 VanDerWaalsContact O-N 3.12Å; E193-I197 PolarHBondContact O-N 3.12Å; E193-D307 HydrophobicContact CB-CB 4.34Å; E193-D307 VanDerWaalsContact CG-CG 3.45Å; E193-D307 WeakPolarHBondContact CG-OD2 3.46Å
194Y74.7Confident79.5Confident25 Ų2561.9 Ų61.910%0.09829%0.286CS..Hα-helixtrans-56.6-41.9-178.3-144.4-109.7000113.1F184 D190 I197 V198 Y250F184-Y194 HydrophobicContact CD2-CD1 4.26Å; F184-Y194 HydrophobicContact CD2-CD2 4.27Å; F184-Y194 AromaticContact CD2-CE1 3.85Å; F184-Y194 HydrophobicContact CD2-CE1 3.85Å; F184-Y194 AromaticContact CD2-CE2 3.8Å; F184-Y194 HydrophobicContact CD2-CE2 3.8Å; F184-Y194 HydrophobicContact CD2-CG 4.47Å; F184-Y194 AromaticContact CD2-CZ 3.58Å; F184-Y194 WeakPolarHBondContact CE1-OH 3.47Å; F184-Y194 AromaticContact CE2-CD1 3.63Å; F184-Y194 HydrophobicContact CE2-CD1 3.63Å; F184-Y194 HydrophobicContact CE2-CD2 4.34Å; F184-Y194 AromaticContact CE2-CE1 2.99Å; F184-Y194 HydrophobicContact CE2-CE1 2.99Å; F184-Y194 AromaticContact CE2-CE2 3.79Å; F184-Y194 HydrophobicContact CE2-CE2 3.79Å; F184-Y194 HydrophobicContact CE2-CG 4.26Å; F184-Y194 AromaticContact CE2-CZ 3.07Å; F184-Y194 VanDerWaalsContact CE2-OH 3.25Å; F184-Y194 WeakPolarHBondContact CE2-OH 3.47Å; F184-Y194 HydrophobicContact CG-CE2 4.45Å; F184-Y194 HydrophobicContact CZ-CD1 4.46Å; F184-Y194 AromaticContact CZ-CE1 3.45Å; F184-Y194 HydrophobicContact CZ-CE1 3.45Å; F184-Y194 VanDerWaalsContact CZ-CE1 3.45Å; F184-Y194 HydrophobicContact CZ-CE2 4.38Å; F184-Y194 AromaticContact CZ-CZ 3.38Å; F184-Y194 WeakPolarHBondContact CZ-OH 3.43Å; F184-Y194 WeakPolarHBondContact O-CE2 3.32Å; D190-Y194 WeakPolarHBondContact O-CB 3.29Å; D190-Y194 PolarHBondContact O-N 3.35Å; Y194-I197 PolarHBondContact O-N 3.04Å; Y194-V198 HydrophobicContact CD1-CG2 4.34Å; Y194-V198 VanDerWaalsContact O-CG2 3.27Å; Y194-V198 WeakPolarHBondContact O-CG2 3.3Å; Y194-V198 PolarHBondContact O-N 3.08Å; Y194-Y250 HydrophobicContact CD1-CE1 4.2Å; Y194-Y250 AromaticContact CD1-CE2 3.68Å; Y194-Y250 HydrophobicContact CD1-CE2 3.68Å; Y194-Y250 AromaticContact CD1-CZ 3.44Å; Y194-Y250 VanDerWaalsContact CD1-CZ 3.44Å; Y194-Y250 WeakPolarHBondContact CD1-OH 3.49Å; Y194-Y250 AromaticContact CE1-CE2 3.98Å; Y194-Y250 HydrophobicContact CE1-CE2 3.98Å; Y194-Y250 AromaticContact CE1-CZ 3.74Å; Y194-Y250 WeakPolarHBondContact CE1-OH 3.29Å
195R76.9Confident79.9Confident65 Ų6561.6 Ų61.625%0.24529%0.285CS..Hα-helixtrans-66.6-40.2-179.5-173.2-170.8-64.2-178.3-2.4111.8E193 I197 N199 Y250 E254E193-R195 VanDerWaalsContact C-N 3.31Å; E193-R195 PolarHBondContact O-N 3.23Å; R195-I197 VanDerWaalsContact C-N 3.33Å; R195-N199 WeakPolarHBondContact O-CB 3.41Å; R195-N199 PolarHBondContact O-N 3.39Å; R195-N199 VanDerWaalsContact O-N 3.08Å; R195-N199 PolarHBondContact O-ND2 3.17Å; R195-N199 VanDerWaalsContact O-ND2 3.15Å; R195-Y250 PolarHBondContact NH2-O 3.48Å; R195-E254 IonicContact CZ-OE2 3.7Å; R195-E254 IonicContact NH1-OE2 3.6Å; R195-E254 PolarHBondContact NH1-OE2 2.91Å; R195-E254 IonicContact NH2-OE2 2.84Å
196R83.4Confident80.3Confident154 Ų15464 Ų6458%0.58129%0.293SS*.Hα-helixtrans-62.8-44.7179.3-68.5-179.9178.8161.60110.1E193 N199 H200E193-R196 PolarHBondContact O-N 3.33Å; E193-R196 VanDerWaalsContact O-N 3.12Å; R196-N199 PolarHBondContact O-N 3.42Å; R196-H200 WeakPolarHBondContact O-CB 3.26Å; R196-H200 PolarHBondContact O-N 3.35Å
197I87.2Confident80.9Confident0 Ų066.7 Ų66.70%031%0.306CS..Hα-helixtrans-65.7-47.1178.8-63171.6000111.4F184 L187 E193 Y194 R195 N199 H200 I201 D307 I308F184-I197 HydrophobicContact CB-CG2 3.88Å; F184-I197 HydrophobicContact CD2-CG2 4.49Å; L187-I197 HydrophobicContact CD1-CD1 3.12Å; E193-I197 PolarHBondContact O-N 3.12Å; Y194-I197 PolarHBondContact O-N 3.04Å; R195-I197 VanDerWaalsContact C-N 3.33Å; I197-N199 VanDerWaalsContact C-N 3.32Å; I197-N199 PolarHBondContact O-N 2.95Å; I197-H200 CarbonylContact O-C 3.6Å; I197-H200 WeakPolarHBondContact O-CA 3.29Å; I197-H200 WeakPolarHBondContact O-CB 3.39Å; I197-H200 PolarHBondContact O-N 3.35Å; I197-I201 HydrophobicContact CG2-CD1 3.65Å; I197-I201 HydrophobicContact CG2-CG1 4.13Å; I197-I201 WeakPolarHBondContact O-CG1 3.48Å; I197-I201 PolarHBondContact O-N 2.86Å; I197-D307 HydrophobicContact CD1-CB 4.06Å; I197-D307 WeakPolarHBondContact CD1-O 3.41Å; I197-D307 HydrophobicContact CG1-CB 4.23Å; I197-D307 VanDerWaalsContact CG1-O 3.3Å; I197-D307 WeakPolarHBondContact CG1-O 3.24Å; I197-I308 HydrophobicContact CG1-CG1 4.31Å
198V87.4Confident81.6Confident0 Ų065.4 Ų65.40%030%0.299CS..Hα-helixtrans-57.2-46.1178168.10000111.7F184 Y194 H200 I201 N202 Y243 L246 A247 Y250F184-V198 HydrophobicContact CD2-CG2 3.66Å; F184-V198 HydrophobicContact CE2-CG2 3.21Å; F184-V198 HydrophobicContact CZ-CG2 4.2Å; Y194-V198 HydrophobicContact CD1-CG2 4.34Å; Y194-V198 VanDerWaalsContact O-CG2 3.27Å; Y194-V198 WeakPolarHBondContact O-CG2 3.3Å; Y194-V198 PolarHBondContact O-N 3.08Å; V198-H200 VanDerWaalsContact C-N 3.29Å; V198-H200 PolarHBondContact O-N 2.94Å; V198-I201 PolarHBondContact O-N 3.38Å; V198-N202 PolarHBondContact O-N 2.86Å; V198-Y243 HydrophobicContact CG1-CD1 4.23Å; V198-Y243 WeakPolarHBondContact CG1-O 3.15Å; V198-Y243 HydrophobicContact CG2-CD1 4.43Å; V198-L246 HydrophobicContact CG1-CB 3.66Å; V198-A247 HydrophobicContact CG1-CB 3.9Å; V198-A247 VanDerWaalsContact CG1-N 3.31Å; V198-Y250 HydrophobicContact CG2-CD2 4.45Å; V198-Y250 HydrophobicContact CG2-CE2 4.33Å
199N88.7Confident82.9Confident50 Ų5058 Ų5827%0.26727%0.272SS..Hα-helixtrans-62.5-38.2175.8-79.3-39.9000111.9R195 R196 I197 K203 A247R195-N199 WeakPolarHBondContact O-CB 3.41Å; R195-N199 PolarHBondContact O-N 3.39Å; R195-N199 VanDerWaalsContact O-N 3.08Å; R195-N199 PolarHBondContact O-ND2 3.17Å; R195-N199 VanDerWaalsContact O-ND2 3.15Å; R196-N199 PolarHBondContact O-N 3.42Å; I197-N199 VanDerWaalsContact C-N 3.32Å; I197-N199 PolarHBondContact O-N 2.95Å; N199-K203 WeakPolarHBondContact O-CG 3.33Å; N199-K203 PolarHBondContact O-N 3.21Å; N199-K203 VanDerWaalsContact O-N 3.11Å; N199-A247 WeakPolarHBondContact OD1-CB 3.32Å
200H91.7Very high84.5Confident46 Ų4655.4 Ų55.421%0.21326%0.258CS..Hα-helixtrans-66-47.8176.8-170.976.7000111.7R196 I197 V198 N202 K203 L204 I308R196-H200 WeakPolarHBondContact O-CB 3.26Å; R196-H200 PolarHBondContact O-N 3.35Å; I197-H200 CarbonylContact O-C 3.6Å; I197-H200 WeakPolarHBondContact O-CA 3.29Å; I197-H200 WeakPolarHBondContact O-CB 3.39Å; I197-H200 PolarHBondContact O-N 3.35Å; V198-H200 VanDerWaalsContact C-N 3.29Å; V198-H200 PolarHBondContact O-N 2.94Å; H200-N202 VanDerWaalsContact C-N 3.33Å; H200-N202 PolarHBondContact O-N 3.41Å; H200-K203 WeakPolarHBondContact O-CB 3.41Å; H200-K203 PolarHBondContact O-N 3.45Å; H200-K203 VanDerWaalsContact O-N 3.1Å; H200-L204 WeakPolarHBondContact NE2-CD1 3.21Å; H200-L204 WeakPolarHBondContact O-CG 3.26Å; H200-L204 PolarHBondContact O-N 3.03Å; H200-I308 HydrophobicContact CB-CD1 4.21Å; H200-I308 VanDerWaalsContact CD2-CG2 3.47Å; H200-I308 WeakPolarHBondContact CD2-CG2 3.35Å; H200-I308 WeakPolarHBondContact NE2-CG2 3.32Å
201I92.9Very high86.2Confident0 Ų051.7 Ų51.70%024%0.24CC..Hα-helixtrans-58.7-44.4176.6-64.4165.6000110.9N180 E181 F184 I197 V198 K203 L204 Y205 Y243N180-I201 HydrophobicContact CB-CD1 4.28Å; N180-I201 HydrophobicContact CB-CG1 3.66Å; E181-I201 HydrophobicContact CG-CD1 4.36Å; E181-I201 HydrophobicContact CG-CG2 4.05Å; F184-I201 HydrophobicContact CB-CD1 3.76Å; F184-I201 HydrophobicContact CG-CD1 4.2Å; I197-I201 HydrophobicContact CG2-CD1 3.65Å; I197-I201 HydrophobicContact CG2-CG1 4.13Å; I197-I201 WeakPolarHBondContact O-CG1 3.48Å; I197-I201 PolarHBondContact O-N 2.86Å; V198-I201 PolarHBondContact O-N 3.38Å; I201-K203 VanDerWaalsContact C-N 3.32Å; I201-K203 PolarHBondContact O-N 2.96Å; I201-L204 PolarHBondContact O-N 3.4Å; I201-Y205 HydrophobicContact CG2-CD2 3.54Å; I201-Y205 HydrophobicContact CG2-CE2 3.55Å; I201-Y205 PolarHBondContact O-N 3.48Å; I201-Y243 HydrophobicContact CB-CD1 3.95Å; I201-Y243 HydrophobicContact CB-CD2 4.4Å; I201-Y243 HydrophobicContact CB-CE1 4.24Å; I201-Y243 HydrophobicContact CB-CG 4.05Å; I201-Y243 HydrophobicContact CD1-CD1 4.03Å; I201-Y243 HydrophobicContact CD1-CE1 3.51Å; I201-Y243 HydrophobicContact CG1-CE1 4.48Å; I201-Y243 HydrophobicContact CG2-CD1 3.78Å; I201-Y243 HydrophobicContact CG2-CD2 3.38Å; I201-Y243 HydrophobicContact CG2-CE1 3.96Å; I201-Y243 HydrophobicContact CG2-CE2 3.6Å; I201-Y243 HydrophobicContact CG2-CG 3.5Å
202N93Very high87.5Confident29 Ų2947.2 Ų47.216%0.15522%0.219CC..Hα-helixtrans-58.7-43.7175.8-177.231.2000111.7V198 H200 K206 Q240V198-N202 PolarHBondContact O-N 2.86Å; H200-N202 VanDerWaalsContact C-N 3.33Å; H200-N202 PolarHBondContact O-N 3.41Å; N202-K206 VanDerWaalsContact O-CB 3.28Å; N202-K206 WeakPolarHBondContact O-CB 3.27Å; N202-K206 PolarHBondContact O-N 2.96Å; N202-Q240 PolarHBondContact OD1-NE2 3.35Å; N202-Q240 PolarHBondContact OD1-O 3.18Å
203K94.3Very high88.4Confident153 Ų15346.4 Ų46.467%0.66522%0.215SC*.Hα-helixtrans-63.6-42.8175.9-73.5176.8-178-176.20112.1N199 H200 I201 K206 K207N199-K203 WeakPolarHBondContact O-CG 3.33Å; N199-K203 PolarHBondContact O-N 3.21Å; N199-K203 VanDerWaalsContact O-N 3.11Å; H200-K203 WeakPolarHBondContact O-CB 3.41Å; H200-K203 PolarHBondContact O-N 3.45Å; H200-K203 VanDerWaalsContact O-N 3.1Å; I201-K203 VanDerWaalsContact C-N 3.32Å; I201-K203 PolarHBondContact O-N 2.96Å; K203-K206 PolarHBondContact O-N 3.28Å; K203-K207 PolarHBondContact O-N 2.81Å
204L95.4Very high89.1Confident22 Ų2248.9 Ų48.912%0.11523%0.228CC..Hα-helixtrans-62.4-46.6177.5-71177.9000111.6I176 A177 N180 H200 I201 K206 K207 C208I176-L204 HydrophobicContact CG2-CD1 4.33Å; I176-L204 HydrophobicContact CG2-CD2 4.18Å; A177-L204 HydrophobicContact CB-CB 3.89Å; A177-L204 HydrophobicContact CB-CD1 4.27Å; N180-L204 HydrophobicContact CB-CD1 4.43Å; H200-L204 WeakPolarHBondContact NE2-CD1 3.21Å; H200-L204 WeakPolarHBondContact O-CG 3.26Å; H200-L204 PolarHBondContact O-N 3.03Å; I201-L204 PolarHBondContact O-N 3.4Å; L204-K206 VanDerWaalsContact C-N 3.33Å; L204-K206 PolarHBondContact O-N 2.92Å; L204-K207 WeakPolarHBondContact O-CB 3.43Å; L204-K207 PolarHBondContact O-N 2.92Å; L204-C208 PolarHBondContact O-N 3.41Å; L204-C208 PolarHBondContact O-SG 2.97Å
205Y95.6Very high89.5Confident0 Ų048 Ų480%023%0.225CC..Hα-helixtrans-69.8-31.2177.3-77.8-50.2000113.4A177 Q178 E181 I201 C208 L209 I236 K239 Y243A177-Y205 HydrophobicContact CB-CD1 3.86Å; A177-Y205 HydrophobicContact CB-CD2 4.44Å; A177-Y205 HydrophobicContact CB-CE1 3.48Å; A177-Y205 VanDerWaalsContact CB-CE1 3.48Å; A177-Y205 HydrophobicContact CB-CE2 4.1Å; A177-Y205 HydrophobicContact CB-CG 4.32Å; Q178-Y205 WeakPolarHBondContact CG-OH 3.41Å; E181-Y205 HydrophobicContact CG-CE2 3.98Å; E181-Y205 PolarHBondContact OE1-OH 3.15Å; E181-Y205 PolarHBondContact OE2-OH 3.41Å; I201-Y205 HydrophobicContact CG2-CD2 3.54Å; I201-Y205 HydrophobicContact CG2-CE2 3.55Å; I201-Y205 PolarHBondContact O-N 3.48Å; Y205-C208 WeakPolarHBondContact O-CB 3.15Å; Y205-C208 PolarHBondContact O-N 3.03Å; Y205-L209 WeakPolarHBondContact O-CG 3.38Å; Y205-L209 PolarHBondContact O-N 3.49Å; Y205-I236 HydrophobicContact CD1-CB 4.49Å; Y205-I236 HydrophobicContact CD1-CG1 4.43Å; Y205-I236 HydrophobicContact CD1-CG2 3.73Å; Y205-I236 HydrophobicContact CE1-CG1 4.38Å; Y205-I236 HydrophobicContact CE1-CG2 4.47Å; Y205-I236 HydrophobicContact CG-CG2 4.42Å; Y205-K239 HydrophobicContact CD2-CB 3.94Å; Y205-K239 HydrophobicContact CE1-CD 4.11Å; Y205-K239 HydrophobicContact CE2-CB 3.77Å; Y205-K239 HydrophobicContact CE2-CD 3.91Å; Y205-K239 HydrophobicContact CE2-CG 4.44Å; Y205-K239 HydrophobicContact CG-CB 4.41Å; Y205-K239 VanDerWaalsContact OH-CD 3.29Å; Y205-K239 WeakPolarHBondContact OH-CD 3.47Å; Y205-K239 PolarHBondContact OH-NZ 2.95Å; Y205-Y243 HydrophobicContact CD2-CD2 4.23Å; Y205-Y243 HydrophobicContact CE2-CD2 4.25Å; Y205-Y243 HydrophobicContact CE2-CE2 4.29Å
206K95Very high89.7Confident96 Ų9648.5 Ų48.542%0.41724%0.238SC..Hα-helixtrans-62-45.6169.5-179.755.7177.2142.30110.9N202 K203 L204 C208 L209 D210 Q240N202-K206 VanDerWaalsContact O-CB 3.28Å; N202-K206 WeakPolarHBondContact O-CB 3.27Å; N202-K206 PolarHBondContact O-N 2.96Å; K203-K206 PolarHBondContact O-N 3.28Å; L204-K206 VanDerWaalsContact C-N 3.33Å; L204-K206 PolarHBondContact O-N 2.92Å; K206-C208 PolarHBondContact O-N 3.17Å; K206-L209 PolarHBondContact O-N 3.08Å; K206-D210 IonicContact NZ-OD1 3.62Å; K206-D210 PolarHBondContact NZ-OD1 2.97Å; K206-D210 IonicContact NZ-OD2 3.75Å; K206-D210 PolarHBondContact O-N 3.15Å; K206-Q240 HydrophobicContact CB-CG 4.42Å
207K94.9Very high89.6Confident99 Ų9944.5 Ų44.543%0.4323%0.234SC..Hα-helixtrans-57-46.3172.9-173.4-167177.6-156.70111.6D173 K203 L204 L209 D210 S211D173-K207 VanDerWaalsContact CG-NZ 3.25Å; D173-K207 IonicContact OD1-NZ 3.52Å; D173-K207 PolarHBondContact OD1-NZ 2.94Å; D173-K207 WeakPolarHBondContact OD2-CD 3.44Å; D173-K207 WeakPolarHBondContact OD2-CE 3.44Å; D173-K207 IonicContact OD2-NZ 3.71Å; D173-K207 PolarHBondContact OD2-NZ 2.96Å; K203-K207 PolarHBondContact O-N 2.81Å; L204-K207 WeakPolarHBondContact O-CB 3.43Å; L204-K207 PolarHBondContact O-N 2.92Å; K207-L209 PolarHBondContact O-N 2.98Å; K207-D210 PolarHBondContact O-N 3.23Å; K207-D210 VanDerWaalsContact O-N 3.16Å; K207-S211 PolarHBondContact O-N 3.49Å; K207-S211 PolarHBondContact O-OG 2.85Å
208C93.2Very high88.5Confident0 Ų048.5 Ų48.50%026%0.261CS..Hα-helixtrans-55.1-50.6176.2-630000111.3D173 V174 L204 Y205 K206 D210 S211 F212 I236D173-C208 VanDerWaalsContact C-SG 3.55Å; V174-C208 HydrophobicContact CG2-CB 4.43Å; L204-C208 PolarHBondContact O-N 3.41Å; L204-C208 PolarHBondContact O-SG 2.97Å; Y205-C208 WeakPolarHBondContact O-CB 3.15Å; Y205-C208 PolarHBondContact O-N 3.03Å; K206-C208 PolarHBondContact O-N 3.17Å; C208-D210 VanDerWaalsContact C-N 3.29Å; C208-D210 PolarHBondContact O-N 3.36Å; C208-S211 WeakPolarHBondContact O-CB 3.41Å; C208-S211 PolarHBondContact O-N 3.44Å; C208-S211 VanDerWaalsContact O-N 3.16Å; C208-F212 VanDerWaalsContact O-CD2 3.24Å; C208-F212 WeakPolarHBondContact O-CD2 3.19Å; C208-F212 PolarHBondContact O-N 2.95Å; C208-I236 HydrophobicContact CB-CG2 3.94Å
209L92.5Very high87.6Confident9 Ų951 Ų515%0.04728%0.275CS..Hα-helixtrans-61.2-37.6178.9-69169.2000112.6Y205 K206 K207 F212 S213 Y233 I236 K237 Q240Y205-L209 WeakPolarHBondContact O-CG 3.38Å; Y205-L209 PolarHBondContact O-N 3.49Å; K206-L209 PolarHBondContact O-N 3.08Å; K207-L209 PolarHBondContact O-N 2.98Å; L209-F212 PolarHBondContact O-N 3.47Å; L209-S213 PolarHBondContact O-N 3.42Å; L209-Y233 HydrophobicContact CD2-CD2 3.99Å; L209-Y233 HydrophobicContact CD2-CE2 3.77Å; L209-I236 HydrophobicContact CD2-CB 4.43Å; L209-I236 HydrophobicContact CD2-CG2 3.83Å; L209-I236 HydrophobicContact CG-CG2 3.85Å; L209-K237 HydrophobicContact CD1-CD 3.59Å; L209-K237 HydrophobicContact CD2-CB 4Å; L209-K237 HydrophobicContact CD2-CD 4.17Å; L209-Q240 HydrophobicContact CD1-CB 3.86Å; L209-Q240 HydrophobicContact CD1-CG 3.83Å
210D91.5Very high86.8Confident64 Ų6456.6 Ų56.634%0.34230%0.299SS..Hα-helixtrans-66.1-42.1176.4-63.2-21.3000109.8K206 K207 C208 F212 S213 M214K206-D210 IonicContact NZ-OD1 3.62Å; K206-D210 PolarHBondContact NZ-OD1 2.97Å; K206-D210 IonicContact NZ-OD2 3.75Å; K206-D210 PolarHBondContact O-N 3.15Å; K207-D210 PolarHBondContact O-N 3.23Å; K207-D210 VanDerWaalsContact O-N 3.16Å; C208-D210 VanDerWaalsContact C-N 3.29Å; C208-D210 PolarHBondContact O-N 3.36Å; D210-F212 PolarHBondContact O-N 3.47Å; D210-S213 WeakPolarHBondContact CA-OG 3.43Å; D210-S213 CarbonylContact O-C 3.6Å; D210-S213 PolarHBondContact O-N 3.3Å; D210-S213 VanDerWaalsContact O-N 3.11Å; D210-S213 PolarHBondContact O-OG 3.09Å; D210-M214 WeakPolarHBondContact O-CG 3.45Å; D210-M214 PolarHBondContact O-N 3.33Å
211S88Confident86.2Confident26 Ų2657.3 Ų57.318%0.18230%0.304CS..Hα-helixtrans-60.5-42.1172.5-58.40000112.8K207 C208 S213 M214 I215K207-S211 PolarHBondContact O-N 3.49Å; K207-S211 PolarHBondContact O-OG 2.85Å; C208-S211 WeakPolarHBondContact O-CB 3.41Å; C208-S211 PolarHBondContact O-N 3.44Å; C208-S211 VanDerWaalsContact O-N 3.16Å; S211-S213 VanDerWaalsContact C-N 3.32Å; S211-S213 PolarHBondContact O-N 3.49Å; S211-M214 WeakPolarHBondContact O-CB 3.2Å; S211-M214 PolarHBondContact O-N 3.4Å; S211-I215 WeakPolarHBondContact O-CG1 3.2Å; S211-I215 PolarHBondContact O-N 3.44Å
212F86.2Confident85.7Confident25 Ų2563.5 Ų63.511%0.1133%0.333CS..Hα-helixtrans-59.7-42.2171.9-86.9-81.8000112.1V170 C208 L209 D210 M214 I215 S216 V228 W232 Y233 I236V170-F212 HydrophobicContact CG1-CD2 4.27Å; V170-F212 HydrophobicContact CG1-CE1 4.44Å; V170-F212 HydrophobicContact CG1-CE2 3.57Å; V170-F212 HydrophobicContact CG1-CZ 3.69Å; C208-F212 VanDerWaalsContact O-CD2 3.24Å; C208-F212 WeakPolarHBondContact O-CD2 3.19Å; C208-F212 PolarHBondContact O-N 2.95Å; L209-F212 PolarHBondContact O-N 3.47Å; D210-F212 PolarHBondContact O-N 3.47Å; F212-M214 VanDerWaalsContact C-N 3.31Å; F212-M214 PolarHBondContact O-N 3.34Å; F212-I215 PolarHBondContact O-N 2.95Å; F212-S216 WeakPolarHBondContact O-CB 3.26Å; F212-S216 PolarHBondContact O-N 2.92Å; F212-V228 HydrophobicContact CE1-CB 3.99Å; F212-V228 HydrophobicContact CE1-CG1 3.35Å; F212-V228 HydrophobicContact CZ-CB 4.5Å; F212-V228 HydrophobicContact CZ-CG1 3.42Å; F212-V228 VanDerWaalsContact CZ-CG1 3.42Å; F212-W232 HydrophobicContact CZ-CB 3.88Å; F212-W232 HydrophobicContact CZ-CE3 4.43Å; F212-Y233 HydrophobicContact CB-CD2 3.86Å; F212-Y233 HydrophobicContact CB-CE2 4.26Å; F212-Y233 HydrophobicContact CD1-CD2 4.34Å; F212-Y233 HydrophobicContact CG-CD2 4.02Å; F212-I236 HydrophobicContact CD2-CD1 4.36Å; F212-I236 HydrophobicContact CE2-CD1 3.43Å; F212-I236 VanDerWaalsContact CE2-CD1 3.43Å; F212-I236 HydrophobicContact CZ-CD1 4.03Å
213S85.4Confident85.2Confident56 Ų5666.7 Ų66.739%0.39235%0.35SS..Hα-helixtrans-67.5-33177.674.30000112.4L209 D210 S211 S216 S217L209-S213 PolarHBondContact O-N 3.42Å; D210-S213 WeakPolarHBondContact CA-OG 3.43Å; D210-S213 CarbonylContact O-C 3.6Å; D210-S213 PolarHBondContact O-N 3.3Å; D210-S213 VanDerWaalsContact O-N 3.11Å; D210-S213 PolarHBondContact O-OG 3.09Å; S211-S213 VanDerWaalsContact C-N 3.32Å; S211-S213 PolarHBondContact O-N 3.49Å; S213-S216 PolarHBondContact O-N 2.95Å; S213-S217 VanDerWaalsContact O-CB 3.26Å; S213-S217 WeakPolarHBondContact O-CB 3.43Å; S213-S217 PolarHBondContact O-N 3.24Å; S213-S217 PolarHBondContact O-OG 3Å
214M83.5Confident84.7Confident107 Ų10759.9 Ų59.953%0.52732%0.321SS..Hα-helixtrans-66.5-47.3173-71.9-63.4-6700111.1D210 S211 F212 S216 S217 C218D210-M214 WeakPolarHBondContact O-CG 3.45Å; D210-M214 PolarHBondContact O-N 3.33Å; S211-M214 WeakPolarHBondContact O-CB 3.2Å; S211-M214 PolarHBondContact O-N 3.4Å; F212-M214 VanDerWaalsContact C-N 3.31Å; F212-M214 PolarHBondContact O-N 3.34Å; M214-S216 VanDerWaalsContact C-N 3.3Å; M214-S216 PolarHBondContact O-N 3.47Å; M214-S217 PolarHBondContact O-N 2.92Å; M214-C218 WeakPolarHBondContact CE-SG 3.45Å; M214-C218 VanDerWaalsContact O-CB 3.22Å; M214-C218 WeakPolarHBondContact O-CB 3.35Å; M214-C218 PolarHBondContact O-N 2.84Å
215I82.6Confident84.1Confident6 Ų662 Ų623%0.03133%0.332CS..Iπ-helixtrans-56.9-46.5174.7-69.3172.3000110.4E166 V167 V170 S211 F212 S217 L219 I225 V228E166-I215 HydrophobicContact CB-CD1 4.07Å; E166-I215 HydrophobicContact CB-CG1 3.72Å; V167-I215 HydrophobicContact CG2-CD1 4.43Å; V170-I215 HydrophobicContact CG2-CD1 3.6Å; S211-I215 WeakPolarHBondContact O-CG1 3.2Å; S211-I215 PolarHBondContact O-N 3.44Å; F212-I215 PolarHBondContact O-N 2.95Å; I215-S217 PolarHBondContact O-N 2.94Å; I215-L219 HydrophobicContact CB-CD1 4.39Å; I215-L219 HydrophobicContact CG1-CD1 4.32Å; I215-L219 HydrophobicContact CG2-CD1 4.12Å; I215-L219 WeakPolarHBondContact O-CB 3.42Å; I215-L219 PolarHBondContact O-N 3.39Å; I215-I225 HydrophobicContact CG2-CG1 3.97Å; I215-V228 HydrophobicContact CD1-CG2 4.47Å
216S81.8Confident83.6Confident76 Ų7666.3 Ų66.353%0.53135%0.351SS..Iπ-helixtrans-68.8-29.5-178.9-177.30000114.2F212 S213 M214F212-S216 WeakPolarHBondContact O-CB 3.26Å; F212-S216 PolarHBondContact O-N 2.92Å; S213-S216 PolarHBondContact O-N 2.95Å; M214-S216 VanDerWaalsContact C-N 3.3Å; M214-S216 PolarHBondContact O-N 3.47Å
217S79.9Confident83.3Confident70 Ų7062.1 Ų62.149%0.4933%0.333SS..Iπ-helixtrans-101.7-36.6-174.160.60000114.1S213 M214 I215S213-S217 VanDerWaalsContact O-CB 3.26Å; S213-S217 WeakPolarHBondContact O-CB 3.43Å; S213-S217 PolarHBondContact O-N 3.24Å; S213-S217 PolarHBondContact O-OG 3Å; M214-S217 PolarHBondContact O-N 2.92Å; I215-S217 PolarHBondContact O-N 2.94Å
218C64.7Low83Confident84 Ų8457.7 Ų57.757%0.56831%0.314SS*.Iπ-helixtrans-87.7-37.9-175.2-66.70000113.3M214M214-C218 WeakPolarHBondContact CE-SG 3.45Å; M214-C218 VanDerWaalsContact O-CB 3.22Å; M214-C218 WeakPolarHBondContact O-CB 3.35Å; M214-C218 PolarHBondContact O-N 2.84Å
219L69.2Low82.8Confident54 Ų5458.5 Ų58.528%0.28332%0.32SS..Iπ-helixtrans-84.6-35.5-174-68.6167.5000112.5E166 I215 D221 I224E166-L219 HydrophobicContact CB-CD1 4.33Å; E166-L219 HydrophobicContact CG-CD1 4.21Å; I215-L219 HydrophobicContact CB-CD1 4.39Å; I215-L219 HydrophobicContact CG1-CD1 4.32Å; I215-L219 HydrophobicContact CG2-CD1 4.12Å; I215-L219 WeakPolarHBondContact O-CB 3.42Å; I215-L219 PolarHBondContact O-N 3.39Å; L219-D221 HydrophobicContact CB-CB 4.47Å; L219-D221 PolarHBondContact O-N 2.99Å; L219-I224 HydrophobicContact CD1-CB 4.35Å; L219-I224 HydrophobicContact CD1-CD1 4.21Å; L219-I224 HydrophobicContact CD1-CG2 3.72Å; L219-I224 HydrophobicContact CD2-CD1 4.27Å
220Q72.6Confident82.5Confident167 Ų16765.7 Ų65.778%0.7835%0.353SS*.  trans5114.3-174.5-59-175.5-2.900114.5
221D79.1Confident82.3Confident61 Ų6167.6 Ų67.633%0.32636%0.363SS..  trans-98109-180-172.5-31.4000108.7L219 D223 I224 I225L219-D221 HydrophobicContact CB-CB 4.47Å; L219-D221 PolarHBondContact O-N 2.99Å; D221-D223 PolarHBondContact O-N 3.17Å; D221-D223 WeakPolarHBondContact OD1-CB 3.39Å; D221-D223 PolarHBondContact OD1-N 3.01Å; D221-I224 HydrophobicContact CB-CB 4.27Å; D221-I224 HydrophobicContact CB-CD1 3.86Å; D221-I224 HydrophobicContact CB-CG1 4.01Å; D221-I224 PolarHBondContact O-N 2.87Å; D221-I224 PolarHBondContact OD1-N 3.49Å; D221-I225 WeakPolarHBondContact O-CG1 3.38Å; D221-I225 PolarHBondContact O-N 3.26Å; D221-I225 VanDerWaalsContact O-N 3.1Å
222E82Confident82.5Confident130 Ų13067 Ų6761%0.60736%0.357SS*.Hα-helixtrans-59.6-31.1179.4-78.9-161.3-176.300112.9I225 K226E222-I225 PolarHBondContact O-N 2.95Å; E222-K226 WeakPolarHBondContact O-CB 3.49Å; E222-K226 WeakPolarHBondContact O-CD 3.42Å; E222-K226 WeakPolarHBondContact O-CG 3.4Å; E222-K226 PolarHBondContact O-N 2.91Å; E222-K226 IonicContact OE2-NZ 3.66Å; E222-K226 PolarHBondContact OE2-NZ 3.42Å
223D82.2Confident82.7Confident95 Ų9571.1 Ų71.151%0.50837%0.373SS..Hα-helixtrans-76.1-34.5-176.5-65.6-31.4000111N161 D221 K226 S227N161-D223 VanDerWaalsContact ND2-CB 3.32Å; N161-D223 WeakPolarHBondContact ND2-CB 3.44Å; D221-D223 PolarHBondContact O-N 3.17Å; D221-D223 WeakPolarHBondContact OD1-CB 3.39Å; D221-D223 PolarHBondContact OD1-N 3.01Å; D223-K226 PolarHBondContact O-N 2.93Å; D223-S227 PolarHBondContact O-N 3.28Å; D223-S227 PolarHBondContact O-OG 2.9Å
224I82.6Confident83Confident10 Ų1077 Ų775%0.05139%0.386CS..Hα-helixtrans-70.2-39.4171.9-56.6172.6000111N161 T164 V167 L219 D221 K226 S227N161-I224 HydrophobicContact CB-CG1 4.18Å; T164-I224 HydrophobicContact CG2-CD1 4.25Å; T164-I224 HydrophobicContact CG2-CG1 4.45Å; T164-I224 HydrophobicContact CG2-CG2 4.29Å; V167-I224 HydrophobicContact CG2-CG2 3.72Å; L219-I224 HydrophobicContact CD1-CB 4.35Å; L219-I224 HydrophobicContact CD1-CD1 4.21Å; L219-I224 HydrophobicContact CD1-CG2 3.72Å; L219-I224 HydrophobicContact CD2-CD1 4.27Å; D221-I224 HydrophobicContact CB-CB 4.27Å; D221-I224 HydrophobicContact CB-CD1 3.86Å; D221-I224 HydrophobicContact CB-CG1 4.01Å; D221-I224 PolarHBondContact O-N 2.87Å; D221-I224 PolarHBondContact OD1-N 3.49Å; I224-K226 VanDerWaalsContact C-N 3.26Å; I224-K226 PolarHBondContact O-N 2.84Å; I224-S227 VanDerWaalsContact O-CB 3.24Å; I224-S227 WeakPolarHBondContact O-CB 3.3Å; I224-S227 PolarHBondContact O-N 2.97Å
225I82.7Confident83.3Confident68 Ų6873.7 Ų73.735%0.34937%0.372SS..Hα-helixtrans-59.6-41.7175.3-67.1165000110.3I215 D221 E222 S227 V228I215-I225 HydrophobicContact CG2-CG1 3.97Å; D221-I225 WeakPolarHBondContact O-CG1 3.38Å; D221-I225 PolarHBondContact O-N 3.26Å; D221-I225 VanDerWaalsContact O-N 3.1Å; E222-I225 PolarHBondContact O-N 2.95Å; I225-S227 PolarHBondContact O-N 3.39Å; I225-V228 PolarHBondContact O-N 3.28Å
226K86.1Confident83.8Confident90 Ų9073.4 Ų73.439%0.39137%0.371SS..Hα-helixtrans-70.1-14.5177.2-71.3165.1-166.2158.70113.2W95 E222 D223 I224 V228W95-K226 PolarHBondContact NE1-O 2.69Å; E222-K226 WeakPolarHBondContact O-CB 3.49Å; E222-K226 WeakPolarHBondContact O-CD 3.42Å; E222-K226 WeakPolarHBondContact O-CG 3.4Å; E222-K226 PolarHBondContact O-N 2.91Å; E222-K226 IonicContact OE2-NZ 3.66Å; E222-K226 PolarHBondContact OE2-NZ 3.42Å; D223-K226 PolarHBondContact O-N 2.93Å; I224-K226 VanDerWaalsContact C-N 3.26Å; I224-K226 PolarHBondContact O-N 2.84Å; K226-V228 PolarHBondContact O-N 2.74Å
227S87.7Confident84.3Confident7 Ų773.4 Ų73.45%0.04936%0.361CS..THydrogen-bonded Turntrans-70.5-10.8173.5-59.60000113.8I94 N161 D162 D223 I224 I225I94-S227 WeakPolarHBondContact CD1-O 3.47Å; N161-S227 VanDerWaalsContact CB-OG 3.26Å; N161-S227 WeakPolarHBondContact CB-OG 3.25Å; N161-S227 WeakPolarHBondContact O-CB 3.5Å; N161-S227 PolarHBondContact O-OG 3.42Å; D162-S227 PolarHBondContact N-OG 2.98Å; D223-S227 PolarHBondContact O-N 3.28Å; D223-S227 PolarHBondContact O-OG 2.9Å; I224-S227 VanDerWaalsContact O-CB 3.24Å; I224-S227 WeakPolarHBondContact O-CB 3.3Å; I224-S227 PolarHBondContact O-N 2.97Å; I225-S227 PolarHBondContact O-N 3.39Å
228V88.9Confident84.8Confident6 Ų673.7 Ų73.74%0.03636%0.36CS..SBendtrans-107.3134.1170.4-169.50000109V167 V170 F171 F212 I215 I225 K226 E230 W232V167-V228 HydrophobicContact CG1-CG2 4.1Å; V167-V228 HydrophobicContact CG2-CG2 4.09Å; V170-V228 HydrophobicContact CG1-CG1 4.22Å; F171-V228 HydrophobicContact CE1-CG1 4.36Å; F212-V228 HydrophobicContact CE1-CB 3.99Å; F212-V228 HydrophobicContact CE1-CG1 3.35Å; F212-V228 HydrophobicContact CZ-CB 4.5Å; F212-V228 HydrophobicContact CZ-CG1 3.42Å; F212-V228 VanDerWaalsContact CZ-CG1 3.42Å; I215-V228 HydrophobicContact CD1-CG2 4.47Å; I225-V228 PolarHBondContact O-N 3.28Å; K226-V228 PolarHBondContact O-N 2.74Å; V228-E230 PolarHBondContact O-N 3.5Å; V228-W232 HydrophobicContact CG1-CD2 4.49Å; V228-W232 HydrophobicContact CG1-CE3 4.17Å
229P90.5Very high86.1Confident17 Ų1770.3 Ų70.311%0.1134%0.336CS..  trans-60.2129.5-177.3-2332.6000112.7W95 D231 W232W95-P229 HydrophobicContact CH2-CB 3.9Å; W95-P229 HydrophobicContact CH2-CG 3.97Å; W95-P229 HydrophobicContact CZ2-CB 4.33Å; W95-P229 HydrophobicContact CZ2-CG 4.22Å; P229-D231 VanDerWaalsContact C-N 3.26Å; P229-D231 PolarHBondContact O-N 2.86Å; P229-D231 VanDerWaalsContact O-N 3.12Å; P229-W232 HydrophobicContact CB-CG 4.11Å; P229-W232 HydrophobicContact CG-CD2 4.32Å; P229-W232 HydrophobicContact CG-CG 4.39Å; P229-W232 HydrophobicContact CG-CZ2 4.31Å; P229-W232 VanDerWaalsContact O-CB 3.27Å; P229-W232 WeakPolarHBondContact O-CB 3.46Å; P229-W232 PolarHBondContact O-N 3.48Å
230E84.7Confident87.2Confident160 Ų16068.6 Ų68.675%0.74833%0.326SS*.THydrogen-bonded Turntrans-57.1-34.9-168.3-64.5-179.6179.600114V228 W232V228-E230 PolarHBondContact O-N 3.5Å; E230-W232 VanDerWaalsContact C-N 3.28Å; E230-W232 PolarHBondContact O-N 3.48Å
231D87.5Confident88.1Confident105 Ų10564.2 Ų64.256%0.56131%0.308SS*.Hα-helixtrans-74.1-16.7-179.3-73.6-38.4000113.7P229 Y233 R234 V235P229-D231 VanDerWaalsContact C-N 3.26Å; P229-D231 PolarHBondContact O-N 2.86Å; P229-D231 VanDerWaalsContact O-N 3.12Å; D231-Y233 VanDerWaalsContact C-N 3.34Å; D231-Y233 PolarHBondContact O-N 3.09Å; D231-R234 PolarHBondContact O-N 3.33Å; D231-V235 WeakPolarHBondContact O-CG2 3.47Å; D231-V235 PolarHBondContact O-N 3.03Å
232W92.6Very high88.4Confident13 Ų1362 Ų625%0.04930%0.296CS..Hα-helixtrans-61.5-42.3-175.9-80.830.4000112.1L4 C5 V6 F171 V174 M175 F212 V228 P229 E230 R234 V235 I236L4-W232 HydrophobicContact CB-CD2 4.39Å; L4-W232 HydrophobicContact CB-CH2 4.41Å; L4-W232 HydrophobicContact CB-CZ2 3.91Å; L4-W232 HydrophobicContact CD1-CB 4.35Å; L4-W232 HydrophobicContact CD1-CD2 3.86Å; L4-W232 HydrophobicContact CD1-CE3 4.25Å; L4-W232 HydrophobicContact CD1-CG 3.89Å; L4-W232 HydrophobicContact CD2-CG 4.38Å; C5-W232 WeakPolarHBondContact O-CZ2 3.18Å; V6-W232 HydrophobicContact CG2-CH2 3.75Å; V6-W232 HydrophobicContact CG2-CZ2 4.35Å; F171-W232 AromaticContact CD1-CH2 3.92Å; F171-W232 HydrophobicContact CD1-CH2 3.92Å; F171-W232 AromaticContact CD1-CZ3 3.75Å; F171-W232 HydrophobicContact CD1-CZ3 3.75Å; F171-W232 HydrophobicContact CE1-CH2 4.22Å; F171-W232 HydrophobicContact CE1-CZ3 4.16Å; V174-W232 HydrophobicContact CB-CE3 4.47Å; V174-W232 HydrophobicContact CB-CZ3 3.94Å; V174-W232 HydrophobicContact CG1-CE3 4.25Å; V174-W232 HydrophobicContact CG1-CH2 4.38Å; V174-W232 HydrophobicContact CG1-CZ3 3.85Å; V174-W232 HydrophobicContact CG2-CE3 4.05Å; V174-W232 HydrophobicContact CG2-CZ3 3.94Å; M175-W232 HydrophobicContact CE-CH2 3.76Å; M175-W232 HydrophobicContact CE-CZ3 4.34Å; F212-W232 HydrophobicContact CZ-CB 3.88Å; F212-W232 HydrophobicContact CZ-CE3 4.43Å; V228-W232 HydrophobicContact CG1-CD2 4.49Å; V228-W232 HydrophobicContact CG1-CE3 4.17Å; P229-W232 HydrophobicContact CB-CG 4.11Å; P229-W232 HydrophobicContact CG-CD2 4.32Å; P229-W232 HydrophobicContact CG-CG 4.39Å; P229-W232 HydrophobicContact CG-CZ2 4.31Å; P229-W232 VanDerWaalsContact O-CB 3.27Å; P229-W232 WeakPolarHBondContact O-CB 3.46Å; P229-W232 PolarHBondContact O-N 3.48Å; E230-W232 VanDerWaalsContact C-N 3.28Å; E230-W232 PolarHBondContact O-N 3.48Å; W232-R234 VanDerWaalsContact C-N 3.26Å; W232-R234 PolarHBondContact O-N 3.27Å; W232-V235 PolarHBondContact O-N 2.87Å; W232-I236 HydrophobicContact CB-CD1 4.18Å; W232-I236 HydrophobicContact CE3-CD1 4.45Å; W232-I236 VanDerWaalsContact O-CB 3.28Å; W232-I236 WeakPolarHBondContact O-CB 3.46Å; W232-I236 WeakPolarHBondContact O-CD1 3.48Å; W232-I236 WeakPolarHBondContact O-CG1 3.35Å; W232-I236 PolarHBondContact O-N 2.78Å
233Y90.3Very high88.8Confident111 Ų11155.9 Ų55.944%0.43527%0.267SS..Hα-helixtrans-55.6-44.8178.5-179.3-91.2000111.3L209 F212 D231 K237L209-Y233 HydrophobicContact CD2-CD2 3.99Å; L209-Y233 HydrophobicContact CD2-CE2 3.77Å; F212-Y233 HydrophobicContact CB-CD2 3.86Å; F212-Y233 HydrophobicContact CB-CE2 4.26Å; F212-Y233 HydrophobicContact CD1-CD2 4.34Å; F212-Y233 HydrophobicContact CG-CD2 4.02Å; D231-Y233 VanDerWaalsContact C-N 3.34Å; D231-Y233 PolarHBondContact O-N 3.09Å; Y233-K237 WeakPolarHBondContact O-CB 3.31Å; Y233-K237 PolarHBondContact O-N 3.36Å
234R90.9Very high89.1Confident179 Ų17953.2 Ų53.268%0.67526%0.256SS*.Hα-helixtrans-65-48.9179-64.7178.9179.2-178.21111.1D231 W232 I236 K237 T238D231-R234 PolarHBondContact O-N 3.33Å; W232-R234 VanDerWaalsContact C-N 3.26Å; W232-R234 PolarHBondContact O-N 3.27Å; R234-I236 PolarHBondContact O-N 3.43Å; R234-K237 PolarHBondContact O-N 3.32Å; R234-T238 PolarHBondContact O-N 3.34Å; R234-T238 PolarHBondContact O-OG1 3.2Å; R234-T238 VanDerWaalsContact O-OG1 3.08Å
235V91.6Very high89.2Confident39 Ų3955.7 Ų55.724%0.23627%0.268CS..Hα-helixtrans-60.8-47.2179.8175.50000111.1L4 D231 W232 K237 T238 K239L4-V235 HydrophobicContact CD1-CB 4.43Å; L4-V235 HydrophobicContact CD1-CG1 4.16Å; L4-V235 HydrophobicContact CD2-CB 4.28Å; L4-V235 HydrophobicContact CD2-CG1 4Å; L4-V235 HydrophobicContact CD2-CG2 4.37Å; L4-V235 HydrophobicContact CG-CG1 4.24Å; D231-V235 WeakPolarHBondContact O-CG2 3.47Å; D231-V235 PolarHBondContact O-N 3.03Å; W232-V235 PolarHBondContact O-N 2.87Å; V235-K237 PolarHBondContact O-N 2.61Å; V235-T238 WeakPolarHBondContact O-CB 3.15Å; V235-T238 PolarHBondContact O-N 3.46Å; V235-K239 HydrophobicContact CG1-CD 4.32Å; V235-K239 HydrophobicContact CG1-CG 4.49Å; V235-K239 WeakPolarHBondContact O-CG 3.25Å; V235-K239 PolarHBondContact O-N 3.02Å
236I92.6Very high89.2Confident0 Ų052.7 Ų52.70%025%0.253CS..Hα-helixtrans-64-41.7179.1-69.4164.7000110.6L4 V174 Y205 C208 L209 F212 W232 R234 T238 K239 Q240L4-I236 HydrophobicContact CD1-CD1 4.26Å; L4-I236 HydrophobicContact CD1-CG1 3.98Å; V174-I236 HydrophobicContact CG2-CD1 3.5Å; V174-I236 HydrophobicContact CG2-CG1 4.43Å; Y205-I236 HydrophobicContact CD1-CB 4.49Å; Y205-I236 HydrophobicContact CD1-CG1 4.43Å; Y205-I236 HydrophobicContact CD1-CG2 3.73Å; Y205-I236 HydrophobicContact CE1-CG1 4.38Å; Y205-I236 HydrophobicContact CE1-CG2 4.47Å; Y205-I236 HydrophobicContact CG-CG2 4.42Å; C208-I236 HydrophobicContact CB-CG2 3.94Å; L209-I236 HydrophobicContact CD2-CB 4.43Å; L209-I236 HydrophobicContact CD2-CG2 3.83Å; L209-I236 HydrophobicContact CG-CG2 3.85Å; F212-I236 HydrophobicContact CD2-CD1 4.36Å; F212-I236 HydrophobicContact CE2-CD1 3.43Å; F212-I236 VanDerWaalsContact CE2-CD1 3.43Å; F212-I236 HydrophobicContact CZ-CD1 4.03Å; W232-I236 HydrophobicContact CB-CD1 4.18Å; W232-I236 HydrophobicContact CE3-CD1 4.45Å; W232-I236 VanDerWaalsContact O-CB 3.28Å; W232-I236 WeakPolarHBondContact O-CB 3.46Å; W232-I236 WeakPolarHBondContact O-CD1 3.48Å; W232-I236 WeakPolarHBondContact O-CG1 3.35Å; W232-I236 PolarHBondContact O-N 2.78Å; R234-I236 PolarHBondContact O-N 3.43Å; I236-T238 VanDerWaalsContact C-N 3.31Å; I236-T238 PolarHBondContact O-N 3.42Å; I236-K239 PolarHBondContact O-N 3.3Å; I236-Q240 WeakPolarHBondContact O-CB 3.29Å; I236-Q240 PolarHBondContact O-N 3.13Å
237K91.6Very high89Confident75 Ų7548.6 Ų48.633%0.32624%0.236SC..Hα-helixtrans-61.7-41.2176.6-174.159.1179.7164.70111.7L209 Y233 R234 V235 Q240 N241L209-K237 HydrophobicContact CD1-CD 3.59Å; L209-K237 HydrophobicContact CD2-CB 4Å; L209-K237 HydrophobicContact CD2-CD 4.17Å; Y233-K237 WeakPolarHBondContact O-CB 3.31Å; Y233-K237 PolarHBondContact O-N 3.36Å; R234-K237 PolarHBondContact O-N 3.32Å; V235-K237 PolarHBondContact O-N 2.61Å; K237-Q240 VanDerWaalsContact NZ-OE1 3.14Å; K237-N241 WeakPolarHBondContact O-CB 3.44Å; K237-N241 VanDerWaalsContact O-CG 3.24Å; K237-N241 PolarHBondContact O-N 2.99Å; K237-N241 PolarHBondContact O-ND2 2.97Å
238T90.6Very high88.6Confident77 Ų7752 Ų5247%0.47226%0.256SS..Hα-helixtrans-63.8-46.1174.2-58.70000111.8R234 V235 I236 N241 Y242 F273R234-T238 PolarHBondContact O-N 3.34Å; R234-T238 PolarHBondContact O-OG1 3.2Å; R234-T238 VanDerWaalsContact O-OG1 3.08Å; V235-T238 WeakPolarHBondContact O-CB 3.15Å; V235-T238 PolarHBondContact O-N 3.46Å; I236-T238 VanDerWaalsContact C-N 3.31Å; I236-T238 PolarHBondContact O-N 3.42Å; T238-N241 PolarHBondContact O-N 2.92Å; T238-Y242 PolarHBondContact O-N 2.58Å; T238-F273 HydrophobicContact CG2-CZ 4.34Å
239K92.1Very high87.8Confident12 Ų1252.6 Ų52.65%0.05226%0.26CS..Hα-helixtrans-60.9-45.1176.4-72.2-176.6171-1640111.7T2 E181 Y205 V235 I236 N241 Y242 Y243T2-K239 WeakPolarHBondContact O-CE 3.37Å; E181-K239 WeakPolarHBondContact OE1-CD 3.49Å; E181-K239 IonicContact OE1-NZ 2.69Å; E181-K239 IonicContact OE2-NZ 3.87Å; E181-K239 PolarHBondContact OE2-NZ 3.34Å; Y205-K239 HydrophobicContact CD2-CB 3.94Å; Y205-K239 HydrophobicContact CE1-CD 4.11Å; Y205-K239 HydrophobicContact CE2-CB 3.77Å; Y205-K239 HydrophobicContact CE2-CD 3.91Å; Y205-K239 HydrophobicContact CE2-CG 4.44Å; Y205-K239 HydrophobicContact CG-CB 4.41Å; Y205-K239 VanDerWaalsContact OH-CD 3.29Å; Y205-K239 WeakPolarHBondContact OH-CD 3.47Å; Y205-K239 PolarHBondContact OH-NZ 2.95Å; V235-K239 HydrophobicContact CG1-CD 4.32Å; V235-K239 HydrophobicContact CG1-CG 4.49Å; V235-K239 WeakPolarHBondContact O-CG 3.25Å; V235-K239 PolarHBondContact O-N 3.02Å; I236-K239 PolarHBondContact O-N 3.3Å; K239-N241 PolarHBondContact O-N 3.34Å; K239-Y242 WeakPolarHBondContact O-CB 3.41Å; K239-Y242 PolarHBondContact O-N 2.94Å; K239-Y243 VanDerWaalsContact O-CD2 3.28Å; K239-Y243 WeakPolarHBondContact O-CD2 3.47Å; K239-Y243 PolarHBondContact O-N 3.29Å
240Q93.3Very high86.7Confident18 Ų1853.6 Ų53.68%0.08426%0.262CS..Hα-helixtrans-58.2-47.8176.2-169.9-89.1-47.800111.8N202 K206 L209 I236 K237 Y242 Y243 S244N202-Q240 PolarHBondContact OD1-NE2 3.35Å; N202-Q240 PolarHBondContact OD1-O 3.18Å; K206-Q240 HydrophobicContact CB-CG 4.42Å; L209-Q240 HydrophobicContact CD1-CB 3.86Å; L209-Q240 HydrophobicContact CD1-CG 3.83Å; I236-Q240 WeakPolarHBondContact O-CB 3.29Å; I236-Q240 PolarHBondContact O-N 3.13Å; K237-Q240 VanDerWaalsContact NZ-OE1 3.14Å; Q240-Y242 VanDerWaalsContact C-N 3.32Å; Q240-Y242 PolarHBondContact O-N 2.9Å; Q240-Y243 PolarHBondContact O-N 2.92Å; Q240-S244 WeakPolarHBondContact O-CB 3.44Å; Q240-S244 PolarHBondContact O-N 3.2Å
241N90Very high85.4Confident75 Ų7549.8 Ų49.840%0.40125%0.246SC..Hα-helixtrans-60.6-42176.8-72.4-16.1000111.5K237 T238 K239 S244 I245K237-N241 WeakPolarHBondContact O-CB 3.44Å; K237-N241 VanDerWaalsContact O-CG 3.24Å; K237-N241 PolarHBondContact O-N 2.99Å; K237-N241 PolarHBondContact O-ND2 2.97Å; T238-N241 PolarHBondContact O-N 2.92Å; K239-N241 PolarHBondContact O-N 3.34Å; N241-S244 PolarHBondContact O-N 3.19Å; N241-I245 VanDerWaalsContact O-CG1 3.3Å; N241-I245 WeakPolarHBondContact O-CG1 3.43Å; N241-I245 PolarHBondContact O-N 3.48Å
242Y86.3Confident83.7Confident16 Ų1646 Ų466%0.06323%0.231CC..Hα-helixtrans-60.7-53.2176.9171.2-109.2000112.4M1 T238 K239 Q240 S244 I245 L246 F273 L277M1-Y242 HydrophobicContact CE-CD1 3.93Å; M1-Y242 HydrophobicContact CE-CE1 3.34Å; T238-Y242 PolarHBondContact O-N 2.58Å; K239-Y242 WeakPolarHBondContact O-CB 3.41Å; K239-Y242 PolarHBondContact O-N 2.94Å; Q240-Y242 VanDerWaalsContact C-N 3.32Å; Q240-Y242 PolarHBondContact O-N 2.9Å; Y242-S244 VanDerWaalsContact C-N 3.27Å; Y242-S244 PolarHBondContact O-N 3.07Å; Y242-I245 PolarHBondContact O-N 3.03Å; Y242-I245 VanDerWaalsContact O-N 3.13Å; Y242-L246 HydrophobicContact CD1-CD1 3.96Å; Y242-L246 HydrophobicContact CD2-CD1 4.49Å; Y242-L246 HydrophobicContact CD2-CG 4.42Å; Y242-L246 HydrophobicContact CE1-CD1 3.28Å; Y242-L246 HydrophobicContact CE1-CG 4.19Å; Y242-L246 HydrophobicContact CE2-CD1 3.93Å; Y242-L246 HydrophobicContact CE2-CD2 4.38Å; Y242-L246 HydrophobicContact CE2-CG 3.99Å; Y242-L246 PolarHBondContact O-N 3.19Å; Y242-F273 HydrophobicContact CD1-CE1 4.37Å; Y242-F273 HydrophobicContact CD2-CB 4.3Å; Y242-F273 AromaticContact CD2-CD1 3.04Å; Y242-F273 HydrophobicContact CD2-CD1 3.04Å; Y242-F273 HydrophobicContact CD2-CD2 4.26Å; Y242-F273 AromaticContact CD2-CE1 3.15Å; Y242-F273 HydrophobicContact CD2-CE1 3.15Å; Y242-F273 HydrophobicContact CD2-CE2 4.37Å; Y242-F273 AromaticContact CD2-CG 3.62Å; Y242-F273 HydrophobicContact CD2-CG 3.62Å; Y242-F273 AromaticContact CD2-CZ 3.86Å; Y242-F273 HydrophobicContact CD2-CZ 3.86Å; Y242-F273 HydrophobicContact CE2-CB 4.25Å; Y242-F273 AromaticContact CE2-CD1 3.15Å; Y242-F273 HydrophobicContact CE2-CD1 3.15Å; Y242-F273 AromaticContact CE2-CE1 3.61Å; Y242-F273 HydrophobicContact CE2-CE1 3.61Å; Y242-F273 AromaticContact CE2-CG 3.9Å; Y242-F273 HydrophobicContact CE2-CG 3.9Å; Y242-F273 AromaticContact CG-CD1 3.94Å; Y242-F273 HydrophobicContact CG-CD1 3.94Å; Y242-F273 AromaticContact CG-CE1 3.56Å; Y242-F273 HydrophobicContact CG-CE1 3.56Å; Y242-F273 HydrophobicContact CG-CZ 4.05Å; Y242-L277 HydrophobicContact CE2-CD1 4.1Å
243Y89.8Confident81.8Confident0 Ų048.9 Ų48.90%025%0.248CC..Hα-helixtrans-67.8-28178.9-76.5-76.3000112.6M1 E181 F184 V198 I201 Y205 K239 Q240 L246 A247M1-Y243 HydrophobicContact CE-CE2 4.5Å; E181-Y243 HydrophobicContact CG-CE2 3.83Å; E181-Y243 WeakPolarHBondContact CG-OH 3.35Å; E181-Y243 VanDerWaalsContact OE1-CE2 3.26Å; E181-Y243 WeakPolarHBondContact OE1-CE2 3.24Å; F184-Y243 HydrophobicContact CD1-CE1 4.07Å; F184-Y243 HydrophobicContact CD2-CE1 4.36Å; F184-Y243 HydrophobicContact CE1-CE1 4.09Å; F184-Y243 HydrophobicContact CE2-CE1 4.33Å; F184-Y243 HydrophobicContact CG-CE1 4.21Å; F184-Y243 HydrophobicContact CZ-CE1 4.21Å; V198-Y243 HydrophobicContact CG1-CD1 4.23Å; V198-Y243 WeakPolarHBondContact CG1-O 3.15Å; V198-Y243 HydrophobicContact CG2-CD1 4.43Å; I201-Y243 HydrophobicContact CB-CD1 3.95Å; I201-Y243 HydrophobicContact CB-CD2 4.4Å; I201-Y243 HydrophobicContact CB-CE1 4.24Å; I201-Y243 HydrophobicContact CB-CG 4.05Å; I201-Y243 HydrophobicContact CD1-CD1 4.03Å; I201-Y243 HydrophobicContact CD1-CE1 3.51Å; I201-Y243 HydrophobicContact CG1-CE1 4.48Å; I201-Y243 HydrophobicContact CG2-CD1 3.78Å; I201-Y243 HydrophobicContact CG2-CD2 3.38Å; I201-Y243 HydrophobicContact CG2-CE1 3.96Å; I201-Y243 HydrophobicContact CG2-CE2 3.6Å; I201-Y243 HydrophobicContact CG2-CG 3.5Å; Y205-Y243 HydrophobicContact CD2-CD2 4.23Å; Y205-Y243 HydrophobicContact CE2-CD2 4.25Å; Y205-Y243 HydrophobicContact CE2-CE2 4.29Å; K239-Y243 VanDerWaalsContact O-CD2 3.28Å; K239-Y243 WeakPolarHBondContact O-CD2 3.47Å; K239-Y243 PolarHBondContact O-N 3.29Å; Q240-Y243 PolarHBondContact O-N 2.92Å; Y243-L246 HydrophobicContact CD1-CD1 4.04Å; Y243-L246 HydrophobicContact CE1-CD1 4.17Å; Y243-A247 WeakPolarHBondContact O-CB 3.43Å; Y243-A247 PolarHBondContact O-N 2.78Å
244S88.3Confident79.7Confident40 Ų4048.5 Ų48.528%0.2825%0.25SS..Hα-helixtrans-64.6-43.4169.8-171.90000111.8Q240 N241 Y242 A247 T248Q240-S244 WeakPolarHBondContact O-CB 3.44Å; Q240-S244 PolarHBondContact O-N 3.2Å; N241-S244 PolarHBondContact O-N 3.19Å; Y242-S244 VanDerWaalsContact C-N 3.27Å; Y242-S244 PolarHBondContact O-N 3.07Å; S244-A247 PolarHBondContact O-N 3.39Å; S244-T248 WeakPolarHBondContact O-CG2 3.07Å; S244-T248 PolarHBondContact O-N 2.87Å; S244-T248 PolarHBondContact O-OG1 3.09Å
245I85.1Confident77.6Confident62 Ų6247.9 Ų47.932%0.31825%0.253SS..Hα-helixtrans-64.9-49.3175.9-68.4164.9000109.8N241 Y242 A247 T248 T249 V270N241-I245 VanDerWaalsContact O-CG1 3.3Å; N241-I245 WeakPolarHBondContact O-CG1 3.43Å; N241-I245 PolarHBondContact O-N 3.48Å; Y242-I245 PolarHBondContact O-N 3.03Å; Y242-I245 VanDerWaalsContact O-N 3.13Å; I245-A247 VanDerWaalsContact C-N 3.31Å; I245-A247 PolarHBondContact O-N 3.01Å; I245-T248 PolarHBondContact O-N 2.83Å; I245-T248 VanDerWaalsContact O-N 3.09Å; I245-T248 PolarHBondContact O-OG1 3.38Å; I245-T249 HydrophobicContact CG2-CG2 4.2Å; I245-T249 VanDerWaalsContact O-CG2 3.3Å; I245-T249 WeakPolarHBondContact O-CG2 3.49Å; I245-T249 PolarHBondContact O-N 3.35Å; I245-V270 HydrophobicContact CG2-CG2 4.12Å
246L83.3Confident75.4Confident5 Ų548.2 Ų48.23%0.02625%0.253CS..Hα-helixtrans-56.1-44.3176.5-76.5179.1000112.3F184 V198 Y242 Y243 T248 T249 Y250 V270F184-L246 HydrophobicContact CE2-CD1 4.45Å; F184-L246 HydrophobicContact CZ-CD1 3.85Å; V198-L246 HydrophobicContact CG1-CB 3.66Å; Y242-L246 HydrophobicContact CD1-CD1 3.96Å; Y242-L246 HydrophobicContact CD2-CD1 4.49Å; Y242-L246 HydrophobicContact CD2-CG 4.42Å; Y242-L246 HydrophobicContact CE1-CD1 3.28Å; Y242-L246 HydrophobicContact CE1-CG 4.19Å; Y242-L246 HydrophobicContact CE2-CD1 3.93Å; Y242-L246 HydrophobicContact CE2-CD2 4.38Å; Y242-L246 HydrophobicContact CE2-CG 3.99Å; Y242-L246 PolarHBondContact O-N 3.19Å; Y243-L246 HydrophobicContact CD1-CD1 4.04Å; Y243-L246 HydrophobicContact CE1-CD1 4.17Å; L246-T248 VanDerWaalsContact C-N 3.28Å; L246-T248 PolarHBondContact O-N 3.4Å; L246-T249 WeakPolarHBondContact CA-OG1 3.41Å; L246-T249 PolarHBondContact O-N 2.84Å; L246-T249 PolarHBondContact O-OG1 3.42Å; L246-Y250 HydrophobicContact CD2-CE2 4.4Å; L246-Y250 WeakPolarHBondContact O-CD2 3.32Å; L246-Y250 PolarHBondContact O-N 3.26Å; L246-V270 HydrophobicContact CD2-CG1 3.97Å; L246-V270 HydrophobicContact CD2-CG2 4.1Å
247A82Confident73.3Confident4 Ų459 Ų593%0.03329%0.293CS..Hα-helixtrans-55.5-46.7176.700000111.1V198 N199 Y243 S244 I245 L251V198-A247 HydrophobicContact CG1-CB 3.9Å; V198-A247 VanDerWaalsContact CG1-N 3.31Å; N199-A247 WeakPolarHBondContact OD1-CB 3.32Å; Y243-A247 WeakPolarHBondContact O-CB 3.43Å; Y243-A247 PolarHBondContact O-N 2.78Å; S244-A247 PolarHBondContact O-N 3.39Å; I245-A247 VanDerWaalsContact C-N 3.31Å; I245-A247 PolarHBondContact O-N 3.01Å; A247-L251 WeakPolarHBondContact O-CD1 3.47Å; A247-L251 PolarHBondContact O-N 2.72Å; A247-L251 VanDerWaalsContact O-N 3.12Å
248T78.9Confident71.2Confident78 Ų7865.7 Ų65.748%0.47932%0.317SS..Hα-helixtrans-68.8-33.7178.960.60000113.6S244 I245 L246 L251 G252S244-T248 WeakPolarHBondContact O-CG2 3.07Å; S244-T248 PolarHBondContact O-N 2.87Å; S244-T248 PolarHBondContact O-OG1 3.09Å; I245-T248 PolarHBondContact O-N 2.83Å; I245-T248 VanDerWaalsContact O-N 3.09Å; I245-T248 PolarHBondContact O-OG1 3.38Å; L246-T248 VanDerWaalsContact C-N 3.28Å; L246-T248 PolarHBondContact O-N 3.4Å; T248-L251 WeakPolarHBondContact O-CB 3.39Å; T248-L251 PolarHBondContact O-N 3.15Å; T248-G252 PolarHBondContact O-N 3.08Å
249T71.8Confident68.9Low18 Ų1869.8 Ų69.811%0.1133%0.328CS..Hα-helixtrans-69-42.9178.159.80000111.3I245 L246 L251 G252 D253 V270I245-T249 HydrophobicContact CG2-CG2 4.2Å; I245-T249 VanDerWaalsContact O-CG2 3.3Å; I245-T249 WeakPolarHBondContact O-CG2 3.49Å; I245-T249 PolarHBondContact O-N 3.35Å; L246-T249 WeakPolarHBondContact CA-OG1 3.41Å; L246-T249 PolarHBondContact O-N 2.84Å; L246-T249 PolarHBondContact O-OG1 3.42Å; T249-L251 VanDerWaalsContact C-N 3.29Å; T249-L251 PolarHBondContact O-N 2.88Å; T249-G252 PolarHBondContact O-N 3.07Å; T249-D253 PolarHBondContact O-N 3.18Å; T249-V270 HydrophobicContact CG2-CG2 3.32Å
250Y68.5Low66.7Low38 Ų3880.7 Ų80.715%0.14937%0.369CS..Hα-helixtrans-65.2-30173.6-75.3-65.5000113Y194 R195 V198 L246Y194-Y250 HydrophobicContact CD1-CE1 4.2Å; Y194-Y250 AromaticContact CD1-CE2 3.68Å; Y194-Y250 HydrophobicContact CD1-CE2 3.68Å; Y194-Y250 AromaticContact CD1-CZ 3.44Å; Y194-Y250 VanDerWaalsContact CD1-CZ 3.44Å; Y194-Y250 WeakPolarHBondContact CD1-OH 3.49Å; Y194-Y250 AromaticContact CE1-CE2 3.98Å; Y194-Y250 HydrophobicContact CE1-CE2 3.98Å; Y194-Y250 AromaticContact CE1-CZ 3.74Å; Y194-Y250 WeakPolarHBondContact CE1-OH 3.29Å; R195-Y250 PolarHBondContact NH2-O 3.48Å; V198-Y250 HydrophobicContact CG2-CD2 4.45Å; V198-Y250 HydrophobicContact CG2-CE2 4.33Å; L246-Y250 HydrophobicContact CD2-CE2 4.4Å; L246-Y250 WeakPolarHBondContact O-CD2 3.32Å; L246-Y250 PolarHBondContact O-N 3.26Å
251L56.6Low64.6Low81 Ų8186.9 Ų86.942%0.42440%0.402SS..Hα-helixtrans-69.5-33.7170-88.1153.9000112.8A247 T248 T249A247-L251 WeakPolarHBondContact O-CD1 3.47Å; A247-L251 PolarHBondContact O-N 2.72Å; A247-L251 VanDerWaalsContact O-N 3.12Å; T248-L251 WeakPolarHBondContact O-CB 3.39Å; T248-L251 PolarHBondContact O-N 3.15Å; T249-L251 VanDerWaalsContact C-N 3.29Å; T249-L251 PolarHBondContact O-N 2.88Å
252G52.2Low62.5Low24 Ų2488.7 Ų88.725%0.24742%0.416CS..Hα-helixtrans-65.3-43178.500000112.9T248 T249 E254 K255 L256T248-G252 PolarHBondContact O-N 3.08Å; T249-G252 PolarHBondContact O-N 3.07Å; G252-E254 PolarHBondContact O-N 2.71Å; G252-K255 PolarHBondContact O-N 2.94Å; G252-K255 VanDerWaalsContact O-N 3.13Å; G252-L256 WeakPolarHBondContact O-CB 3.39Å; G252-L256 PolarHBondContact O-N 3.43Å
253D51.8Low60.5Low75 Ų7595.9 Ų95.940%0.40145%0.448SS..Hα-helixtrans-62.7-26.3-179.9-80.4-24.1000113.3T249 R257T249-D253 PolarHBondContact O-N 3.18Å; D253-R257 WeakPolarHBondContact O-CB 3.28Å; D253-R257 PolarHBondContact O-N 2.83Å
254E45.9Very low58.3Low102 Ų102103.8 Ų103.848%0.47749%0.485SS..Hα-helixtrans-76.2-37.4174.6-162.6176.1-167.300112.8R195 G252 L256R195-E254 IonicContact CZ-OE2 3.7Å; R195-E254 IonicContact NH1-OE2 3.6Å; R195-E254 PolarHBondContact NH1-OE2 2.91Å; R195-E254 IonicContact NH2-OE2 2.84Å; G252-E254 PolarHBondContact O-N 2.71Å; E254-L256 VanDerWaalsContact C-N 3.33Å
255K48Very low56.4Low167 Ų167106.2 Ų106.273%0.72650%0.502SS*.Hα-helixtrans-71.3-32.1173.2-69.7-173.9179.9179.50111.4G252 R258 K259G252-K255 PolarHBondContact O-N 2.94Å; G252-K255 VanDerWaalsContact O-N 3.13Å; K255-R258 PolarHBondContact O-N 3.29Å; K255-K259 PolarHBondContact O-N 3.23Å
256L45.1Very low54.4Low45 Ų45106.2 Ų106.224%0.23651%0.507CS..Hα-helixtrans-82.6-26.4179.6-81.1157.8000114.2G252 E254 R258 K259 T262G252-L256 WeakPolarHBondContact O-CB 3.39Å; G252-L256 PolarHBondContact O-N 3.43Å; E254-L256 VanDerWaalsContact C-N 3.33Å; L256-R258 PolarHBondContact O-N 2.58Å; L256-R258 VanDerWaalsContact O-N 3.1Å; L256-K259 WeakPolarHBondContact CA-O 3.25Å; L256-K259 WeakPolarHBondContact CD2-O 3.26Å; L256-K259 CarbonylContact O-C 3.59Å; L256-K259 VanDerWaalsContact O-C 3.28Å; L256-K259 PolarHBondContact O-N 3.48Å; L256-T262 WeakPolarHBondContact CD1-O 3.47Å; L256-T262 VanDerWaalsContact CD2-OG1 3.24Å; L256-T262 WeakPolarHBondContact CD2-OG1 3.12Å
257R47.8Very low52.7Low227 Ų227109.4 Ų109.486%0.85753%0.527SS*.THydrogen-bonded Turntrans-58.9-17.1162.8-92.3-172.4168.3-173.60.3112.4D253D253-R257 WeakPolarHBondContact O-CB 3.28Å; D253-R257 PolarHBondContact O-N 2.83Å
258R48.8Very low51.1Low216 Ų216113.6 Ų113.682%0.81555%0.548SS*.THydrogen-bonded Turntrans-99-11.5170.5-69.5-175.1173.9146.90.2114.9K255 L256K255-R258 PolarHBondContact O-N 3.29Å; L256-R258 PolarHBondContact O-N 2.58Å; L256-R258 VanDerWaalsContact O-N 3.1Å
259K41.3Very low49.8Very low163 Ų163114.5 Ų114.571%0.70955%0.55SS*.  trans-153.6119.5178.3-71-170.7174.4176.90111.7K255 L256K255-K259 PolarHBondContact O-N 3.23Å; L256-K259 WeakPolarHBondContact CA-O 3.25Å; L256-K259 WeakPolarHBondContact CD2-O 3.26Å; L256-K259 CarbonylContact O-C 3.59Å; L256-K259 VanDerWaalsContact O-C 3.28Å; L256-K259 PolarHBondContact O-N 3.48Å
260R45.8Very low48.7Very low240 Ų240115 Ų11591%0.90655%0.553SS**SBendtrans-62.4147.6167-104.4171.8169.3162-3.8109.3
261D49.7Very low47.8Very low149 Ų149115.3 Ų115.380%0.79756%0.56SS**  trans89.473.2175.9-51.3-21.6000117.1
262T45.2Very low47.5Very low112 Ų112117.8 Ų117.869%0.68757%0.568SS**  trans-173.161.9147.1190000109.3L256L256-T262 WeakPolarHBondContact CD1-O 3.47Å; L256-T262 VanDerWaalsContact CD2-OG1 3.24Å; L256-T262 WeakPolarHBondContact CD2-OG1 3.12Å
263K44.5Very low47.2Very low167 Ų167120 Ų12073%0.72657%0.571SS**  trans-89.2-19.9-173.8-118.7179.9179.9-176.10115.1T267K263-T267 WeakPolarHBondContact O-CG2 3.5Å; K263-T267 PolarHBondContact O-OG1 2.9Å
264E44Very low46.9Very low166 Ų166119.2 Ų119.278%0.77657%0.569SS**Hα-helixtrans-92.7-33.8-157.2-69-176.8158.200117.2T267 L268E264-T267 PolarHBondContact O-OG1 3.13Å; E264-L268 WeakPolarHBondContact O-CB 3.41Å; E264-L268 PolarHBondContact O-N 2.85Å
265S48.3Very low46.9Very low92 Ų92123.5 Ų123.564%0.64358%0.581SS**Hα-helixtrans-78.7-48-170.2-172.50000113.7L268 L269S265-L268 PolarHBondContact O-N 3.1Å; S265-L269 PolarHBondContact O-N 2.98Å
266S42.3Very low46.8Very low61 Ų61119 Ų11943%0.42757%0.57SS.*Hα-helixtrans-71.8-38.2-177.5-51.50000112.3L268 L269 V270S266-L268 VanDerWaalsContact C-N 3.35Å; S266-L269 PolarHBondContact O-N 3.4Å; S266-V270 WeakPolarHBondContact O-CG2 3.19Å; S266-V270 PolarHBondContact O-N 2.67Å; S266-V270 VanDerWaalsContact O-N 3.07Å
267T48.7Very low46.5Very low73 Ų73119 Ų11945%0.44857%0.57SS.*Hα-helixtrans-69.9-30174.855.60000112.2K263 E264 S271K263-T267 WeakPolarHBondContact O-CG2 3.5Å; K263-T267 PolarHBondContact O-OG1 2.9Å; E264-T267 PolarHBondContact O-OG1 3.13Å; T267-S271 WeakPolarHBondContact O-CA 3.36Å; T267-S271 WeakPolarHBondContact O-CB 3.12Å; T267-S271 PolarHBondContact O-N 3.25Å; T267-S271 PolarHBondContact O-OG 3.5Å
268L48.4Very low46.2Very low91 Ų91111.9 Ų111.948%0.47656%0.555SS.*Hα-helixtrans-69.4-39174.5-173.566.7000112.1E264 S265 S266 S271 K272E264-L268 WeakPolarHBondContact O-CB 3.41Å; E264-L268 PolarHBondContact O-N 2.85Å; S265-L268 PolarHBondContact O-N 3.1Å; S266-L268 VanDerWaalsContact C-N 3.35Å; L268-S271 VanDerWaalsContact CA-OG 3.32Å; L268-S271 WeakPolarHBondContact CA-OG 3.38Å; L268-S271 PolarHBondContact O-OG 3.07Å; L268-S271 VanDerWaalsContact O-OG 3.09Å; L268-K272 HydrophobicContact CG-CD 4.36Å; L268-K272 VanDerWaalsContact O-CB 3.26Å; L268-K272 WeakPolarHBondContact O-CB 3Å; L268-K272 VanDerWaalsContact O-CG 3.24Å; L268-K272 WeakPolarHBondContact O-CG 3.25Å; L268-K272 PolarHBondContact O-N 3.49Å
269L50.4Low45.6Very low97 Ų97104.5 Ų104.551%0.50854%0.537SS..Hα-helixtrans-68.8-45.3175.5-78.9170.4000112S265 S266 K272 F273S265-L269 PolarHBondContact O-N 2.98Å; S266-L269 PolarHBondContact O-N 3.4Å; L269-K272 PolarHBondContact O-N 3.33Å; L269-F273 WeakPolarHBondContact O-CB 3.42Å; L269-F273 PolarHBondContact O-N 3.27Å
270V49.8Very low45.6Very low29 Ų29108 Ų10818%0.17655%0.545CS..Hα-helixtrans-61.9-47.3173.3173.50000110.1I245 L246 T249 S266 K272 F273 T274I245-V270 HydrophobicContact CG2-CG2 4.12Å; L246-V270 HydrophobicContact CD2-CG1 3.97Å; L246-V270 HydrophobicContact CD2-CG2 4.1Å; T249-V270 HydrophobicContact CG2-CG2 3.32Å; S266-V270 WeakPolarHBondContact O-CG2 3.19Å; S266-V270 PolarHBondContact O-N 2.67Å; S266-V270 VanDerWaalsContact O-N 3.07Å; V270-K272 PolarHBondContact O-N 2.92Å; V270-F273 PolarHBondContact O-N 3.48Å; V270-T274 VanDerWaalsContact O-CB 3.26Å; V270-T274 WeakPolarHBondContact O-CB 3.05Å; V270-T274 PolarHBondContact O-N 2.89Å; V270-T274 PolarHBondContact O-OG1 3.38Å
271S49.6Very low45Very low44 Ų44106.1 Ų106.131%0.30854%0.538SS..Hα-helixtrans-66.9-32.5178.963.90000113.7T267 L268 R275T267-S271 WeakPolarHBondContact O-CA 3.36Å; T267-S271 WeakPolarHBondContact O-CB 3.12Å; T267-S271 PolarHBondContact O-N 3.25Å; T267-S271 PolarHBondContact O-OG 3.5Å; L268-S271 VanDerWaalsContact CA-OG 3.32Å; L268-S271 WeakPolarHBondContact CA-OG 3.38Å; L268-S271 PolarHBondContact O-OG 3.07Å; L268-S271 VanDerWaalsContact O-OG 3.09Å; S271-R275 WeakPolarHBondContact O-CA 3.41Å; S271-R275 WeakPolarHBondContact O-CB 3.32Å; S271-R275 VanDerWaalsContact O-CG 3.32Å; S271-R275 WeakPolarHBondContact O-CG 3.38Å; S271-R275 PolarHBondContact O-N 2.96Å
272K49.2Very low44.4Very low133 Ų133104.2 Ų104.258%0.57852%0.52SS*.Hα-helixtrans-65.2-42.5171.3-82.2177.9178-179.60111.3L268 L269 V270 S276L268-K272 HydrophobicContact CG-CD 4.36Å; L268-K272 VanDerWaalsContact O-CB 3.26Å; L268-K272 WeakPolarHBondContact O-CB 3Å; L268-K272 VanDerWaalsContact O-CG 3.24Å; L268-K272 WeakPolarHBondContact O-CG 3.25Å; L268-K272 PolarHBondContact O-N 3.49Å; L269-K272 PolarHBondContact O-N 3.33Å; V270-K272 PolarHBondContact O-N 2.92Å; K272-S276 WeakPolarHBondContact O-CB 3.33Å; K272-S276 PolarHBondContact O-N 3.01Å
273F46.1Very low43.8Very low70 Ų70103.5 Ų103.531%0.30752%0.52SS..Hα-helixtrans-73.8-44.4178.5-152.1-81.2000111.7T238 Y242 L269 V270 R275 S276 L277T238-F273 HydrophobicContact CG2-CZ 4.34Å; Y242-F273 HydrophobicContact CD1-CE1 4.37Å; Y242-F273 HydrophobicContact CD2-CB 4.3Å; Y242-F273 AromaticContact CD2-CD1 3.04Å; Y242-F273 HydrophobicContact CD2-CD1 3.04Å; Y242-F273 HydrophobicContact CD2-CD2 4.26Å; Y242-F273 AromaticContact CD2-CE1 3.15Å; Y242-F273 HydrophobicContact CD2-CE1 3.15Å; Y242-F273 HydrophobicContact CD2-CE2 4.37Å; Y242-F273 AromaticContact CD2-CG 3.62Å; Y242-F273 HydrophobicContact CD2-CG 3.62Å; Y242-F273 AromaticContact CD2-CZ 3.86Å; Y242-F273 HydrophobicContact CD2-CZ 3.86Å; Y242-F273 HydrophobicContact CE2-CB 4.25Å; Y242-F273 AromaticContact CE2-CD1 3.15Å; Y242-F273 HydrophobicContact CE2-CD1 3.15Å; Y242-F273 AromaticContact CE2-CE1 3.61Å; Y242-F273 HydrophobicContact CE2-CE1 3.61Å; Y242-F273 AromaticContact CE2-CG 3.9Å; Y242-F273 HydrophobicContact CE2-CG 3.9Å; Y242-F273 AromaticContact CG-CD1 3.94Å; Y242-F273 HydrophobicContact CG-CD1 3.94Å; Y242-F273 AromaticContact CG-CE1 3.56Å; Y242-F273 HydrophobicContact CG-CE1 3.56Å; Y242-F273 HydrophobicContact CG-CZ 4.05Å; L269-F273 WeakPolarHBondContact O-CB 3.42Å; L269-F273 PolarHBondContact O-N 3.27Å; V270-F273 PolarHBondContact O-N 3.48Å; F273-R275 VanDerWaalsContact C-N 3.34Å; F273-R275 PolarHBondContact O-N 3.29Å; F273-S276 CarbonylContact O-C 3.28Å; F273-S276 WeakPolarHBondContact O-CA 3.33Å; F273-S276 VanDerWaalsContact O-CB 3.26Å; F273-S276 WeakPolarHBondContact O-CB 3.43Å; F273-S276 PolarHBondContact O-N 3.32Å; F273-S276 VanDerWaalsContact O-N 3.09Å; F273-L277 HydrophobicContact CD1-CD1 3.68Å; F273-L277 HydrophobicContact CD1-CG 4.04Å; F273-L277 HydrophobicContact CE1-CD1 3.94Å; F273-L277 HydrophobicContact CE1-CD2 4.47Å; F273-L277 HydrophobicContact CE1-CG 4.22Å; F273-L277 VanDerWaalsContact O-CG 3.29Å; F273-L277 WeakPolarHBondContact O-CG 3.39Å; F273-L277 PolarHBondContact O-N 3.35Å
274T46.9Very low43.2Very low60 Ų60103.5 Ų103.537%0.36852%0.522SS..Hα-helixtrans-62.7-36.3173.1-53.40000111.5V270 L277 S278V270-T274 VanDerWaalsContact O-CB 3.26Å; V270-T274 WeakPolarHBondContact O-CB 3.05Å; V270-T274 PolarHBondContact O-N 2.89Å; V270-T274 PolarHBondContact O-OG1 3.38Å; T274-L277 CarbonylContact O-C 3.5Å; T274-L277 WeakPolarHBondContact O-CB 3.19Å; T274-L277 PolarHBondContact O-N 3.38Å; T274-S278 VanDerWaalsContact O-CB 3.26Å; T274-S278 WeakPolarHBondContact O-CB 3.48Å; T274-S278 PolarHBondContact O-N 3.4Å; T274-S278 PolarHBondContact O-OG 2.86Å
275R45.3Very low42.7Very low192 Ų192100.6 Ų100.673%0.72552%0.516SS*.Hα-helixtrans-69.2-35.5169.5-85.8179.4166.1167.1-3.4112.8S271 F273 L277 S278 S279S271-R275 WeakPolarHBondContact O-CA 3.41Å; S271-R275 WeakPolarHBondContact O-CB 3.32Å; S271-R275 VanDerWaalsContact O-CG 3.32Å; S271-R275 WeakPolarHBondContact O-CG 3.38Å; S271-R275 PolarHBondContact O-N 2.96Å; F273-R275 VanDerWaalsContact C-N 3.34Å; F273-R275 PolarHBondContact O-N 3.29Å; R275-L277 PolarHBondContact O-N 3.44Å; R275-S278 WeakPolarHBondContact CA-OG 3.44Å; R275-S278 PolarHBondContact O-N 2.58Å; R275-S279 WeakPolarHBondContact O-CB 3.18Å; R275-S279 PolarHBondContact O-N 3.41Å
276S45.9Very low41.9Very low72 Ų72101.4 Ų101.450%0.50351%0.508SS..Hα-helixtrans-62.3-30.1169.6-176.90000111.4K272 F273 W282K272-S276 WeakPolarHBondContact O-CB 3.33Å; K272-S276 PolarHBondContact O-N 3.01Å; F273-S276 CarbonylContact O-C 3.28Å; F273-S276 WeakPolarHBondContact O-CA 3.33Å; F273-S276 VanDerWaalsContact O-CB 3.26Å; F273-S276 WeakPolarHBondContact O-CB 3.43Å; F273-S276 PolarHBondContact O-N 3.32Å; F273-S276 VanDerWaalsContact O-N 3.09Å; S276-W282 PolarHBondContact O-NE1 2.85Å
277L39.2Very low41.4Very low45 Ų45107.3 Ų107.324%0.23653%0.529CS..Hα-helixtrans-86.4-32.4176.8-68170.8000113.8M1 Y242 F273 T274 R275 W282M1-L277 HydrophobicContact CE-CD1 4.05Å; M1-L277 HydrophobicContact CG-CD2 3.65Å; Y242-L277 HydrophobicContact CE2-CD1 4.1Å; F273-L277 HydrophobicContact CD1-CD1 3.68Å; F273-L277 HydrophobicContact CD1-CG 4.04Å; F273-L277 HydrophobicContact CE1-CD1 3.94Å; F273-L277 HydrophobicContact CE1-CD2 4.47Å; F273-L277 HydrophobicContact CE1-CG 4.22Å; F273-L277 VanDerWaalsContact O-CG 3.29Å; F273-L277 WeakPolarHBondContact O-CG 3.39Å; F273-L277 PolarHBondContact O-N 3.35Å; T274-L277 CarbonylContact O-C 3.5Å; T274-L277 WeakPolarHBondContact O-CB 3.19Å; T274-L277 PolarHBondContact O-N 3.38Å; R275-L277 PolarHBondContact O-N 3.44Å; L277-W282 VanDerWaalsContact O-CD1 3.29Å
278S40.3Very low40.6Very low78 Ų78110.1 Ų110.155%0.54555%0.546SS..Hα-helixtrans-99.2-1.5-177.169.20000114.3T274 R275 R280T274-S278 VanDerWaalsContact O-CB 3.26Å; T274-S278 WeakPolarHBondContact O-CB 3.48Å; T274-S278 PolarHBondContact O-N 3.4Å; T274-S278 PolarHBondContact O-OG 2.86Å; R275-S278 WeakPolarHBondContact CA-OG 3.44Å; R275-S278 PolarHBondContact O-N 2.58Å; S278-R280 PolarHBondContact O-N 3.25Å; S278-R280 VanDerWaalsContact O-N 3.15Å
279S37.9Very low40.1Very low60 Ų60110.5 Ų110.542%0.4255%0.552SS.*SBendtrans-48.5122.2164.6171.50000108.7R275 R281 W282R275-S279 WeakPolarHBondContact O-CB 3.18Å; R275-S279 PolarHBondContact O-N 3.41Å; S279-R281 PolarHBondContact O-N 3.24Å; S279-W282 PolarHBondContact O-N 3Å
280R39.4Very low39.5Very low237 Ų237112.5 Ų112.589%0.89456%0.563SS**THydrogen-bonded Turntrans-568.2-179.7-78.4179.6167.1-153.5-3.1115.5S278 S283S278-R280 PolarHBondContact O-N 3.25Å; S278-R280 VanDerWaalsContact O-N 3.15Å; R280-S283 PolarHBondContact O-OG 2.89Å
281R34.9Very low39Very low201 Ų201118.8 Ų118.876%0.75859%0.591SS**THydrogen-bonded Turntrans-89.70.4178.8-140.5178.3-173.8-171.70.7114.4S279S279-R281 PolarHBondContact O-N 3.24Å
282W36.7Very low38.5Very low108 Ų108121.5 Ų121.541%0.40961%0.605SS.*SBendtrans-94.5-19-179.2-65.6104.1000114.6S276 L277 S279 E284S276-W282 PolarHBondContact O-NE1 2.85Å; L277-W282 VanDerWaalsContact O-CD1 3.29Å; S279-W282 PolarHBondContact O-N 3Å; W282-E284 PolarHBondContact O-N 2.76Å
283S32.4Very low37.9Very low97 Ų97123.6 Ų123.668%0.67862%0.617SS**THydrogen-bonded Turntrans-69.8-11.7177.7450000113.9R280R280-S283 PolarHBondContact O-OG 2.89Å
284E30.9Very low37.6Very low167 Ų167123 Ų12378%0.7862%0.617SS**THydrogen-bonded Turntrans-93.2-4-176.9-71.5178.8171.600114.3W282W282-E284 PolarHBondContact O-N 2.76Å
285T34.1Very low37Very low105 Ų105125.9 Ų125.964%0.64464%0.639SS**SBendtrans-100.81.9-175.8-33.50000114.6
286F31.2Very low36.5Very low110 Ų110120.2 Ų120.248%0.48264%0.641SS.*  trans-119.8100.6178.8-59.8-82.8000109.1T288F286-T288 PolarHBondContact O-N 3.32Å
287Q32.1Very low35.9Very low185 Ų185122.7 Ų122.786%0.86464%0.644SS**  trans-61124161.9-76.4179.5-11.700107V289Q287-V289 PolarHBondContact O-N 3.42Å
288T33.1Very low35.8Very low131 Ų131125.8 Ų125.880%0.80467%0.67SS**  trans-57.1100.4166.6470000107.7F286 N290F286-T288 PolarHBondContact O-N 3.32Å; T288-N290 PolarHBondContact O-N 3.17Å
289V38Very low35.4Very low100 Ų100130 Ų13061%0.60668%0.681SS**  trans-67.8122.5166.7178.80000105.5Q287 E291Q287-V289 PolarHBondContact O-N 3.42Å; V289-E291 PolarHBondContact O-N 3.12Å; V289-E291 VanDerWaalsContact O-N 3.15Å
290N37.1Very low35.4Very low138 Ų138131.5 Ų131.574%0.73869%0.689SS**  trans-46.5122.3179.9-79.5-24.4000109.7T288 T292T288-N290 PolarHBondContact O-N 3.17Å; N290-T292 PolarHBondContact O-N 3.24Å
291E38.1Very low35.4Very low162 Ų162123.9 Ų123.976%0.75768%0.677SS**  trans-64.883.4168.4-64-178.7154.400107.7V289 E293V289-E291 PolarHBondContact O-N 3.12Å; V289-E291 VanDerWaalsContact O-N 3.15Å; E291-E293 PolarHBondContact O-N 3.17Å
292T39.2Very low35.7Very low100 Ų100119.6 Ų119.661%0.61368%0.678SS**  trans-68.3104.5161.237.80000106.4N290 I294N290-T292 PolarHBondContact O-N 3.24Å; T292-I294 PolarHBondContact O-N 2.66Å
293E37Very low36.1Very low178 Ų178117.4 Ų117.483%0.83268%0.676SS**  trans-53.9100.2171.9-70.2-179.6158.500109.2E291 S295E291-E293 PolarHBondContact O-N 3.17Å; E293-S295 VanDerWaalsContact C-N 3.29Å; E293-S295 PolarHBondContact O-N 3.27Å
294I40.7Very low36.8Very low57 Ų57115.4 Ų115.429%0.29266%0.657SS.*  trans-67.894.5170.4-63.2173.9000106.5T292 G296 E297T292-I294 PolarHBondContact O-N 2.66Å; I294-G296 PolarHBondContact O-N 3.43Å; I294-E297 HydrophobicContact CG2-CG 4.19Å
295S34.2Very low37.7Very low120 Ų120113.6 Ų113.684%0.83966%0.658SS**THydrogen-bonded Turntrans-64.597.5170.3-68.90000108.6E293E293-S295 VanDerWaalsContact C-N 3.29Å; E293-S295 PolarHBondContact O-N 3.27Å
296G33.7Very low38.9Very low74 Ų74113.9 Ų113.976%0.76366%0.656SS**THydrogen-bonded Turntrans152-5.4175.300000116.3I294 S298I294-G296 PolarHBondContact O-N 3.43Å; G296-S298 PolarHBondContact O-N 3.29Å
297E34.5Very low41Very low123 Ų123111.1 Ų111.158%0.57565%0.646SS**  trans-77.5115.3-179.8-76.2-177.9169.800111.9I294 Q299I294-E297 HydrophobicContact CG2-CG 4.19Å; E297-Q299 PolarHBondContact O-N 2.75Å
298S37.1Very low43.7Very low110 Ų110104.7 Ų104.777%0.76962%0.617SS**  trans-42.8124.2155.349.40000109.1G296G296-S298 PolarHBondContact O-N 3.29Å
299Q31.3Very low46.4Very low167 Ų16798.7 Ų98.778%0.7858%0.58SS**  trans-31.4129.4169.5-71.1-75.5-43.300110.5E297 A301E297-Q299 PolarHBondContact O-N 2.75Å; Q299-A301 PolarHBondContact O-N 3.26Å
300P38.8Very low49.1Very low92 Ų9297.5 Ų97.560%0.59757%0.573SS**  trans-53.8109.6-178.220.7-30.8000108.1S302P300-S302 PolarHBondContact O-N 2.97Å
301A38.2Very low51.7Low77 Ų7793.7 Ų93.764%0.63655%0.55SS**  trans-62.195-165.600000110.3Q299 V303Q299-A301 PolarHBondContact O-N 3.26Å; A301-V303 WeakPolarHBondContact O-CA 3.13Å; A301-V303 WeakPolarHBondContact O-CG2 3.3Å; A301-V303 PolarHBondContact O-N 3.32Å
302S41.2Very low54.3Low110 Ų11091.8 Ų91.877%0.76954%0.541SS*.  trans35.737.9162.566.60000116.8P300 L304P300-S302 PolarHBondContact O-N 2.97Å; S302-L304 PolarHBondContact O-N 3.14Å
303V46.4Very low56.7Low62 Ų6295 Ų9538%0.37655%0.551SS.*  trans-66.7-15-162.6176.20000113.1K143 A301K143-V303 HydrophobicContact CD-CG1 4.37Å; A301-V303 WeakPolarHBondContact O-CA 3.13Å; A301-V303 WeakPolarHBondContact O-CG2 3.3Å; A301-V303 PolarHBondContact O-N 3.32Å
304L46.1Very low59.4Low55 Ų5587.4 Ų87.429%0.28852%0.515SS..  trans-125.372.4-164.8-57.4175000112.2L136 S302 I309L136-L304 HydrophobicContact CD2-CD1 3.35Å; S302-L304 PolarHBondContact O-N 3.14Å; L304-I309 HydrophobicContact CD2-CD1 3.14Å
305T49.8Very low61.6Low130 Ų13092 Ų9280%0.79854%0.535SS*.SBendtrans-85.8-22159.254.10000112
306N58.9Low64.1Low110 Ų11088.3 Ų88.359%0.58851%0.506SS*.SBendtrans-116.3142.2179.8-73.8-25.8000111.7I308N306-I308 PolarHBondContact O-N 3.38Å
307D75.1Confident66.6Low52 Ų5286.7 Ų86.728%0.27848%0.482SS..SBendtrans-66-22.2176.8-56.8-42.4000113.6N183 E193 I197N183-D307 PolarHBondContact ND2-O 2.85Å; E193-D307 HydrophobicContact CB-CB 4.34Å; E193-D307 VanDerWaalsContact CG-CG 3.45Å; E193-D307 WeakPolarHBondContact CG-OD2 3.46Å; I197-D307 HydrophobicContact CD1-CB 4.06Å; I197-D307 WeakPolarHBondContact CD1-O 3.41Å; I197-D307 HydrophobicContact CG1-CB 4.23Å; I197-D307 VanDerWaalsContact CG1-O 3.3Å; I197-D307 WeakPolarHBondContact CG1-O 3.24Å
308I88.5Confident69.2Low50 Ų5082 Ų8226%0.25646%0.461SS..SBendtrans-105.4126-178.1-64.1175000108.8I197 H200 N306 T310I197-I308 HydrophobicContact CG1-CG1 4.31Å; H200-I308 HydrophobicContact CB-CD1 4.21Å; H200-I308 VanDerWaalsContact CD2-CG2 3.47Å; H200-I308 WeakPolarHBondContact CD2-CG2 3.35Å; H200-I308 WeakPolarHBondContact NE2-CG2 3.32Å; N306-I308 PolarHBondContact O-N 3.38Å; I308-T310 HydrophobicContact CG2-CG2 4.15Å; I308-T310 PolarHBondContact O-N 3.37Å
309I91.3Very high71.5Confident6 Ų679.2 Ų79.23%0.03144%0.437CS..  trans-81.5115.7175.2-47.3-57.6000108.2I139 K143 I176 A179 N180 N183 L304I139-I309 HydrophobicContact CG2-CD1 3.86Å; I139-I309 HydrophobicContact CG2-CG1 3.98Å; I139-I309 HydrophobicContact CG2-CG2 4.43Å; K143-I309 HydrophobicContact CB-CG2 4.36Å; K143-I309 HydrophobicContact CD-CG2 3.97Å; K143-I309 HydrophobicContact CG-CG2 4.31Å; I176-I309 HydrophobicContact CD1-CG2 4Å; A179-I309 HydrophobicContact CB-CG2 4.2Å; N180-I309 PolarHBondContact ND2-O 3.36Å; N180-I309 PolarHBondContact OD1-N 2.78Å; N183-I309 HydrophobicContact CB-CD1 4.28Å; N183-I309 HydrophobicContact CB-CG1 3.94Å; L304-I309 HydrophobicContact CD2-CD1 3.14Å
310T93.3Very high73.7Confident75 Ų7576 Ų7646%0.4643%0.431SS..  trans-108.9154.617453.40000110.6K143 I308K143-T310 WeakPolarHBondContact CE-O 3.39Å; I308-T310 HydrophobicContact CG2-CG2 4.15Å; I308-T310 PolarHBondContact O-N 3.37Å
311K92.6Very high74.8Confident58 Ų5876.6 Ų76.625%0.25244%0.437SS..  trans-68.4138.9170.3-61.3-172.2-72.9-179.40109.8A146 E147 D150 S172 I176A146-K311 HydrophobicContact CB-CD 4.26Å; A146-K311 HydrophobicContact CB-CG 4.35Å; E147-K311 HydrophobicContact CG-CB 4.21Å; D150-K311 HydrophobicContact CB-CD 4.25Å; D150-K311 IonicContact OD1-NZ 2.74Å; D150-K311 PolarHBondContact OD1-NZ 3.46Å; D150-K311 IonicContact OD2-NZ 3.68Å; D150-K311 PolarHBondContact OD2-NZ 3.27Å; S172-K311 WeakPolarHBondContact OG-CD 3.47Å; S172-K311 PolarHBondContact OG-NZ 3.08Å; I176-K311 HydrophobicContact CB-CD 4.49Å; I176-K311 HydrophobicContact CB-CG 4.18Å; I176-K311 HydrophobicContact CD1-CG 3.9Å; I176-K311 HydrophobicContact CG1-CG 3.87Å
312E92Very high75.7Confident121 Ų12180.6 Ų80.657%0.56545%0.448SS*.  trans-110.1174.7168.9-65.4173.2159.700110.3K143 E147 F314K143-E312 IonicContact NZ-OE2 2.7Å; K143-E312 PolarHBondContact NZ-OE2 2.88Å; E147-E312 WeakPolarHBondContact CG-O 3.48Å; E147-E312 WeakPolarHBondContact OE1-CB 3.47Å; E147-E312 PolarHBondContact OE1-N 3.49Å; E312-F314 PolarHBondContact O-N 3.25Å
313M89.6Confident76.4Confident168 Ų16877.9 Ų77.983%0.82843%0.429SS*.PPolyproline II helixtrans-66.9122.7176-170.7175.38200109.8Q315M313-Q315 PolarHBondContact O-N 2.99Å
314F93.2Very high77.3Confident19 Ų1977.9 Ų77.98%0.08344%0.441CS..PPolyproline II helixtrans-60.3128.6174.6-170.7-114.5000110.7I113 Y116 E147 A148 Y151 E312 I316 L318I113-F314 HydrophobicContact CD1-CE1 4.45Å; I113-F314 HydrophobicContact CG2-CE1 3.99Å; I113-F314 HydrophobicContact CG2-CZ 4.21Å; Y116-F314 HydrophobicContact CD1-CZ 4.28Å; Y116-F314 HydrophobicContact CE1-CE2 4.27Å; Y116-F314 HydrophobicContact CE1-CZ 4.28Å; E147-F314 HydrophobicContact CB-CB 4.28Å; E147-F314 HydrophobicContact CB-CD2 4Å; A148-F314 HydrophobicContact CB-CD2 4.03Å; A148-F314 HydrophobicContact CB-CE1 4.44Å; A148-F314 HydrophobicContact CB-CE2 3.54Å; A148-F314 HydrophobicContact CB-CZ 3.75Å; Y151-F314 AromaticContact CD1-CD1 3.91Å; Y151-F314 HydrophobicContact CD1-CD1 3.91Å; Y151-F314 HydrophobicContact CD1-CE1 4.33Å; Y151-F314 HydrophobicContact CD2-CB 4.26Å; Y151-F314 HydrophobicContact CD2-CD1 4.11Å; Y151-F314 HydrophobicContact CG-CB 4.15Å; Y151-F314 AromaticContact CG-CD1 3.64Å; Y151-F314 HydrophobicContact CG-CD1 3.64Å; Y151-F314 HydrophobicContact CG-CE1 4.48Å; Y151-F314 HydrophobicContact CG-CG 4.27Å; E312-F314 PolarHBondContact O-N 3.25Å; F314-I316 HydrophobicContact CD1-CG1 4.22Å; F314-I316 HydrophobicContact CE1-CG1 4.17Å; F314-L318 HydrophobicContact CE1-CD2 3.53Å; F314-L318 HydrophobicContact CE2-CD2 4.15Å; F314-L318 HydrophobicContact CZ-CD2 3.24Å
315Q88.4Confident78.7Confident152 Ų15278.3 Ų78.371%0.7144%0.444SS*.PPolyproline II helixtrans-94.3131.1-174.9-63.8-173.1-3.400111.1M313 L318M313-Q315 PolarHBondContact O-N 2.99Å; Q315-L318 WeakPolarHBondContact O-CD2 3.38Å
316I85.8Confident80.3Confident43 Ų4373.2 Ų73.222%0.22141%0.412CS..SBendtrans-123.1129.9167.8-66175.3000106.9W73 I113 Y151 F314 L318W73-I316 HydrophobicContact CD2-CG2 4.12Å; W73-I316 HydrophobicContact CG-CG2 4.21Å; W73-I316 HydrophobicContact CZ2-CG2 3.96Å; I113-I316 HydrophobicContact CD1-CD1 4.15Å; Y151-I316 HydrophobicContact CE1-CD1 3.72Å; Y151-I316 HydrophobicContact CE2-CD1 4.01Å; Y151-I316 VanDerWaalsContact CZ-CD1 3.41Å; Y151-I316 VanDerWaalsContact OH-CD1 3.31Å; Y151-I316 WeakPolarHBondContact OH-CD1 3.36Å; F314-I316 HydrophobicContact CD1-CG1 4.22Å; F314-I316 HydrophobicContact CE1-CG1 4.17Å; I316-L318 HydrophobicContact CG1-CD2 4.41Å
317P86.8Confident81.5Confident40 Ų4068 Ų6826%0.2638%0.384SS..SBendcis-67.8155.44.227.4-33.9000114.4N70 W73N70-P317 WeakPolarHBondContact OD1-CA 3.29Å; N70-P317 WeakPolarHBondContact OD1-CB 3.4Å; W73-P317 HydrophobicContact CZ3-CG 4.46Å
318L89.1Confident81.6Confident24 Ų2470.3 Ų70.313%0.12639%0.393CS..SBendtrans-73.3-25.8-176.3-59.3-174.7000113.2A66 H69 N70 Y116 F314 Q315 I316A66-L318 HydrophobicContact CB-CB 3.86Å; A66-L318 HydrophobicContact CB-CD1 4.3Å; H69-L318 HydrophobicContact CB-CD1 3.77Å; H69-L318 HydrophobicContact CB-CG 4.43Å; N70-L318 PolarHBondContact OD1-N 3.37Å; Y116-L318 HydrophobicContact CD1-CD1 4.31Å; Y116-L318 HydrophobicContact CD2-CD1 4.3Å; Y116-L318 HydrophobicContact CE1-CD1 4.48Å; Y116-L318 HydrophobicContact CE2-CD1 4.46Å; Y116-L318 HydrophobicContact CG-CD1 4.22Å; F314-L318 HydrophobicContact CE1-CD2 3.53Å; F314-L318 HydrophobicContact CE2-CD2 4.15Å; F314-L318 HydrophobicContact CZ-CD2 3.24Å; Q315-L318 WeakPolarHBondContact O-CD2 3.38Å; I316-L318 HydrophobicContact CG1-CD2 4.41Å
319L85.5Confident80.9Confident52 Ų5271.5 Ų71.527%0.27240%0.398SS..SBendtrans-119.4152171.9-64.2166.7000110.8A66 L67 N70A66-L319 HydrophobicContact CB-CD1 3.84Å; A66-L319 HydrophobicContact CB-CD2 4.31Å; A66-L319 HydrophobicContact CB-CG 3.77Å; L67-L319 HydrophobicContact CB-CD1 4.31Å; L67-L319 HydrophobicContact CD2-CD1 3.37Å; L67-L319 HydrophobicContact CG-CD1 3.48Å; L67-L319 VanDerWaalsContact CG-CD1 3.48Å; N70-L319 WeakPolarHBondContact ND2-CB 3.5Å; N70-L319 PolarHBondContact ND2-N 3.19Å; N70-L319 PolarHBondContact ND2-O 3.22Å
320P77.5Confident80.4Confident100 Ų10071.4 Ų71.465%0.64940%0.397SS*.  trans-55.5148.3168.6-22.333000112.3D322P320-D322 PolarHBondContact O-N 3.42Å
321S62.4Low79.6Confident105 Ų10568.2 Ų68.273%0.73438%0.378SS*.THydrogen-bonded Turntrans-66.35.3-171.8-47.60000116.2S323S321-S323 PolarHBondContact O-N 3.29Å
322D55.6Low78.7Confident161 Ų16167.4 Ų67.486%0.86138%0.379SS*.THydrogen-bonded Turntrans-75.9-6.3-179-71.5-23.2000113.5P320 G324P320-D322 PolarHBondContact O-N 3.42Å; D322-G324 PolarHBondContact O-N 2.89Å; D322-G324 VanDerWaalsContact O-N 3.14Å
323S56.2Low77.9Confident52 Ų5267.9 Ų67.936%0.36438%0.379SS..SBendtrans-7895.7171.345.70000109.5S321 D325S321-S323 PolarHBondContact O-N 3.29Å; S323-D325 PolarHBondContact O-N 3.42Å
324G65.7Low77.6Confident62 Ų6261.7 Ų61.764%0.63935%0.351SS*.  trans-35.3127.2-173.200000115.5D322 I326D322-G324 PolarHBondContact O-N 2.89Å; D322-G324 VanDerWaalsContact O-N 3.14Å; G324-I326 PolarHBondContact O-N 2.92Å; G324-I326 VanDerWaalsContact O-N 3.14Å
325D74.8Confident77.1Confident64 Ų6460.8 Ų60.834%0.34235%0.348SS..  trans-68.2105.8-175.7176.521.4000111.8R78 S323 F327 E328R78-D325 IonicContact CZ-OD1 3.86Å; R78-D325 IonicContact CZ-OD2 3Å; R78-D325 IonicContact NE-OD2 3.06Å; R78-D325 IonicContact NH1-OD2 3.39Å; R78-D325 IonicContact NH2-OD1 2.99Å; R78-D325 IonicContact NH2-OD2 2.71Å; R78-D325 PolarHBondContact NH2-OD2 3.38Å; S323-D325 PolarHBondContact O-N 3.42Å; D325-F327 PolarHBondContact O-N 3.08Å; D325-F327 PolarHBondContact OD1-N 2.96Å; D325-E328 HydrophobicContact CB-CB 4.5Å; D325-E328 PolarHBondContact O-N 2.86Å; D325-E328 WeakPolarHBondContact OD2-CA 3.5Å; D325-E328 PolarHBondContact OD2-N 3.05Å
326I84.5Confident76.7Confident24 Ų2454.4 Ų54.412%0.12332%0.318CS..THydrogen-bonded Turntrans-70-14.9-178.369.9173.9000112.6S39 K42 F43 L46 V71 G324S39-I326 WeakPolarHBondContact CB-O 3.45Å; S39-I326 PolarHBondContact OG-O 2.86Å; K42-I326 HydrophobicContact CB-CD1 4.34Å; K42-I326 HydrophobicContact CD-CB 4.48Å; K42-I326 HydrophobicContact CD-CG2 3.67Å; K42-I326 HydrophobicContact CG-CD1 4.27Å; K42-I326 HydrophobicContact CG-CG2 4.45Å; F43-I326 HydrophobicContact CB-CD1 4.15Å; L46-I326 HydrophobicContact CD1-CD1 4.27Å; V71-I326 HydrophobicContact CG1-CD1 3.59Å; V71-I326 HydrophobicContact CG1-CG1 3.92Å; V71-I326 HydrophobicContact CG2-CD1 4.5Å; G324-I326 PolarHBondContact O-N 2.92Å; G324-I326 VanDerWaalsContact O-N 3.14Å
327F84.4Confident76.6Confident1 Ų156.2 Ų56.20%0.00433%0.326CS..THydrogen-bonded Turntrans-109.925.6178.9-66.7-69000112.5L40 F43 V71 L75 R78 D325 M329 L330L40-F327 HydrophobicContact CD2-CE1 3.86Å; L40-F327 HydrophobicContact CD2-CZ 4.1Å; L40-F327 HydrophobicContact CG-CE1 4.42Å; F43-F327 HydrophobicContact CB-CE2 4.23Å; F43-F327 HydrophobicContact CB-CZ 3.9Å; F43-F327 HydrophobicContact CD2-CE2 4.3Å; F43-F327 HydrophobicContact CG-CE2 4.32Å; F43-F327 HydrophobicContact CG-CZ 4.17Å; V71-F327 HydrophobicContact CG1-CD2 4.1Å; V71-F327 HydrophobicContact CG1-CE2 3.7Å; L75-F327 HydrophobicContact CB-CD2 4.14Å; L75-F327 HydrophobicContact CB-CE2 4.04Å; L75-F327 HydrophobicContact CD1-CD1 4.13Å; L75-F327 HydrophobicContact CD1-CD2 4Å; L75-F327 HydrophobicContact CD1-CE1 4.04Å; L75-F327 HydrophobicContact CD1-CE2 3.9Å; L75-F327 HydrophobicContact CD1-CG 4.12Å; L75-F327 HydrophobicContact CD1-CZ 3.92Å; L75-F327 HydrophobicContact CD2-CE2 3.98Å; L75-F327 HydrophobicContact CD2-CZ 3.99Å; L75-F327 HydrophobicContact CG-CE2 4.18Å; L75-F327 HydrophobicContact CG-CZ 4.44Å; R78-F327 PolarHBondContact NH1-O 3.2Å; D325-F327 PolarHBondContact O-N 3.08Å; D325-F327 PolarHBondContact OD1-N 2.96Å; F327-M329 PolarHBondContact O-N 3.21Å; F327-L330 HydrophobicContact CB-CB 4.15Å; F327-L330 HydrophobicContact CD1-CD2 4.28Å; F327-L330 WeakPolarHBondContact O-CB 3.43Å; F327-L330 PolarHBondContact O-N 3.25Å
328E77.4Confident76.7Confident99 Ų9954.4 Ų54.446%0.46331%0.314SS..THydrogen-bonded Turntrans-52.6-40.5179.6-176.4173.8-168.800112.5D325 L330D325-E328 HydrophobicContact CB-CB 4.5Å; D325-E328 PolarHBondContact O-N 2.86Å; D325-E328 WeakPolarHBondContact OD2-CA 3.5Å; D325-E328 PolarHBondContact OD2-N 3.05Å; E328-L330 VanDerWaalsContact C-N 3.25Å; E328-L330 PolarHBondContact O-N 3.24Å
329M73.4Confident76.6Confident75 Ų7555.2 Ų55.237%0.36932%0.318SS..THydrogen-bonded Turntrans-74-11.4179.5-64-61.5-69.600114.2F327 V331 L336F327-M329 PolarHBondContact O-N 3.21Å; M329-V331 PolarHBondContact O-N 3.33Å; M329-L336 HydrophobicContact CE-CD1 3.62Å
330L79.6Confident76.7Confident4 Ų457 Ų572%0.02133%0.327CS..  trans-82.373178.5-168.566.9000109.7I24 F28 V32 L75 R78 L79 F327 E328I24-L330 HydrophobicContact CD1-CD1 4.18Å; I24-L330 HydrophobicContact CD1-CD2 4.48Å; I24-L330 HydrophobicContact CG1-CD1 4.05Å; I24-L330 HydrophobicContact CG2-CD1 3.87Å; F28-L330 HydrophobicContact CD1-CD1 4.38Å; F28-L330 HydrophobicContact CD2-CD1 3.89Å; F28-L330 HydrophobicContact CE1-CD1 4.42Å; F28-L330 HydrophobicContact CE2-CD1 3.93Å; F28-L330 HydrophobicContact CG-CD1 4.13Å; F28-L330 HydrophobicContact CZ-CD1 4.2Å; F28-L330 HydrophobicContact CZ-CG 4.44Å; V32-L330 HydrophobicContact CG1-CD1 4.14Å; L75-L330 HydrophobicContact CD1-CD2 3.79Å; R78-L330 HydrophobicContact CB-CD2 4.05Å; R78-L330 HydrophobicContact CB-CG 4.46Å; L79-L330 HydrophobicContact CD2-CD2 3.96Å; F327-L330 HydrophobicContact CB-CB 4.15Å; F327-L330 HydrophobicContact CD1-CD2 4.28Å; F327-L330 WeakPolarHBondContact O-CB 3.43Å; F327-L330 PolarHBondContact O-N 3.25Å; E328-L330 VanDerWaalsContact C-N 3.25Å; E328-L330 PolarHBondContact O-N 3.24Å
331V76.2Confident77.3Confident9 Ų954.5 Ų54.56%0.05531%0.308CS..SBendtrans-125.1158.9177.4-68.90000111M329 V335 L336 V559M329-V331 PolarHBondContact O-N 3.33Å; V331-V335 HydrophobicContact CB-CB 4.13Å; V331-V335 HydrophobicContact CB-CG1 3.98Å; V331-V335 HydrophobicContact CG1-CG1 4.38Å; V331-V335 HydrophobicContact CG2-CB 4.1Å; V331-V335 HydrophobicContact CG2-CG1 3.89Å; V331-L336 HydrophobicContact CG2-CB 4.28Å; V331-V559 HydrophobicContact CG1-CG1 3.6Å
332P74.2Confident78.6Confident41 Ų4149.5 Ų49.527%0.26627%0.273SS..  trans-54.5143.9173.6-25.735.2000112.1P334 V335 L336 Y566P332-P334 VanDerWaalsContact C-CD 3.46Å; P332-P334 VanDerWaalsContact C-N 3.33Å; P332-V335 HydrophobicContact CB-CG2 4.39Å; P332-V335 VanDerWaalsContact O-CB 3.32Å; P332-V335 WeakPolarHBondContact O-CB 3.48Å; P332-V335 PolarHBondContact O-N 2.79Å; P332-L336 PolarHBondContact O-N 2.91Å; P332-Y566 HydrophobicContact CB-CD1 4.19Å; P332-Y566 HydrophobicContact CB-CE1 3.9Å; P332-Y566 HydrophobicContact CG-CD1 4.23Å; P332-Y566 HydrophobicContact CG-CE1 4.21Å
333F75.7Confident80.3Confident131 Ų13144.9 Ų44.958%0.57525%0.248SC*.Hα-helixtrans-49.7-43.7-178.8179.3-89.5000114.1V335 L336 E337F333-V335 PolarHBondContact O-N 3.08Å; F333-L336 PolarHBondContact O-N 3.15Å; F333-L336 VanDerWaalsContact O-N 3.07Å; F333-E337 HydrophobicContact CE1-CB 4.28Å; F333-E337 WeakPolarHBondContact CE1-OE2 3.45Å; F333-E337 PolarHBondContact O-N 3.41Å
334P82.4Confident81.9Confident37 Ų3747.1 Ų47.124%0.2426%0.256CS..Hα-helixtrans-59.5-31.4177.7-27.237.4000114P332 A338 Y566 I572P332-P334 VanDerWaalsContact C-CD 3.46Å; P332-P334 VanDerWaalsContact C-N 3.33Å; P334-A338 VanDerWaalsContact O-CB 3.29Å; P334-A338 WeakPolarHBondContact O-CB 3.42Å; P334-A338 PolarHBondContact O-N 2.91Å; P334-Y566 HydrophobicContact CB-CD2 4.1Å; P334-Y566 HydrophobicContact CB-CE2 3.81Å; P334-Y566 HydrophobicContact CG-CE2 3.76Å; P334-I572 HydrophobicContact CB-CD1 4.38Å; P334-I572 WeakPolarHBondContact O-CD1 3.37Å
335V84.1Confident83.2Confident1 Ų146.4 Ų46.41%0.00624%0.239CC..Hα-helixtrans-70.3-43.4176.2175.10000110.6V331 P332 F333 A338 L339 V559 L562 Y566 I572V331-V335 HydrophobicContact CB-CB 4.13Å; V331-V335 HydrophobicContact CB-CG1 3.98Å; V331-V335 HydrophobicContact CG1-CG1 4.38Å; V331-V335 HydrophobicContact CG2-CB 4.1Å; V331-V335 HydrophobicContact CG2-CG1 3.89Å; P332-V335 HydrophobicContact CB-CG2 4.39Å; P332-V335 VanDerWaalsContact O-CB 3.32Å; P332-V335 WeakPolarHBondContact O-CB 3.48Å; P332-V335 PolarHBondContact O-N 2.79Å; F333-V335 PolarHBondContact O-N 3.08Å; V335-A338 PolarHBondContact O-N 3.21Å; V335-L339 WeakPolarHBondContact O-CB 3.47Å; V335-L339 PolarHBondContact O-N 3.43Å; V335-V559 HydrophobicContact CG1-CG1 4.19Å; V335-L562 HydrophobicContact CG1-CB 3.76Å; V335-L562 HydrophobicContact CG1-CD1 4.22Å; V335-Y566 HydrophobicContact CG2-CD1 4.48Å; V335-Y566 HydrophobicContact CG2-CG 4.38Å; V335-I572 HydrophobicContact CB-CD1 4.37Å; V335-I572 HydrophobicContact CG2-CD1 3.88Å
336L80Confident84Confident18 Ų1846.2 Ų46.29%0.09423%0.234CC..Hα-helixtrans-64.8-44.7177.6-178.861.5000111.2V32 M329 V331 P332 F333 A338 L339 I340V32-L336 HydrophobicContact CG2-CD2 4.39Å; M329-L336 HydrophobicContact CE-CD1 3.62Å; V331-L336 HydrophobicContact CG2-CB 4.28Å; P332-L336 PolarHBondContact O-N 2.91Å; F333-L336 PolarHBondContact O-N 3.15Å; F333-L336 VanDerWaalsContact O-N 3.07Å; L336-A338 PolarHBondContact O-N 2.81Å; L336-L339 WeakPolarHBondContact O-CB 3.34Å; L336-L339 PolarHBondContact O-N 3.27Å; L336-I340 HydrophobicContact CD1-CD1 4.48Å; L336-I340 HydrophobicContact CG-CD1 4.25Å; L336-I340 WeakPolarHBondContact O-CG1 3.46Å; L336-I340 PolarHBondContact O-N 2.95Å; L336-I340 VanDerWaalsContact O-N 3.08Å
337E84.2Confident84.4Confident81 Ų8147.8 Ų47.838%0.37925%0.245SC..Hα-helixtrans-58.9-46.8175.1-179.1173.8-154.300111.4F333 L339 I340 I341F333-E337 HydrophobicContact CE1-CB 4.28Å; F333-E337 WeakPolarHBondContact CE1-OE2 3.45Å; F333-E337 PolarHBondContact O-N 3.41Å; E337-L339 VanDerWaalsContact C-N 3.32Å; E337-L339 PolarHBondContact O-N 3.2Å; E337-I340 PolarHBondContact O-N 3.14Å; E337-I341 HydrophobicContact CG-CD1 3.8Å; E337-I341 WeakPolarHBondContact O-CG1 3.18Å; E337-I341 PolarHBondContact O-N 3.48Å
338A88.7Confident84.9Confident2 Ų250.6 Ų50.62%0.01727%0.268CS..Hα-helixtrans-63.2-35.2177.300000113.5P334 V335 L336 A342 L562 I572P334-A338 VanDerWaalsContact O-CB 3.29Å; P334-A338 WeakPolarHBondContact O-CB 3.42Å; P334-A338 PolarHBondContact O-N 2.91Å; V335-A338 PolarHBondContact O-N 3.21Å; L336-A338 PolarHBondContact O-N 2.81Å; A338-A342 VanDerWaalsContact O-CB 3.29Å; A338-A342 WeakPolarHBondContact O-CB 3.45Å; A338-A342 PolarHBondContact O-N 3.47Å; A338-L562 HydrophobicContact CB-CD1 4.14Å; A338-L562 HydrophobicContact CB-CD2 4.27Å; A338-I572 HydrophobicContact CB-CB 4.32Å; A338-I572 HydrophobicContact CB-CD1 3.99Å; A338-I572 HydrophobicContact CB-CG2 3.67Å
339L86.6Confident85.7Confident40 Ų4047.4 Ų47.421%0.20925%0.254CS..Hα-helixtrans-63.5-45.8174.7177.966.7000111.5V335 L336 E337 A342 N343 L554 F558 V559 L562V335-L339 WeakPolarHBondContact O-CB 3.47Å; V335-L339 PolarHBondContact O-N 3.43Å; L336-L339 WeakPolarHBondContact O-CB 3.34Å; L336-L339 PolarHBondContact O-N 3.27Å; E337-L339 VanDerWaalsContact C-N 3.32Å; E337-L339 PolarHBondContact O-N 3.2Å; L339-A342 PolarHBondContact O-N 2.95Å; L339-N343 PolarHBondContact O-N 3.39Å; L339-N343 VanDerWaalsContact O-N 3.09Å; L339-L554 HydrophobicContact CD1-CD1 3.75Å; L339-F558 HydrophobicContact CD1-CD1 3.69Å; L339-F558 HydrophobicContact CD1-CE1 4.01Å; L339-V559 HydrophobicContact CD1-CG2 4.24Å; L339-V559 HydrophobicContact CD2-CG2 3.98Å; L339-L562 HydrophobicContact CB-CD1 4.32Å
340I86.3Confident86.7Confident89 Ų8944.9 Ų44.946%0.45624%0.242SC..Hα-helixtrans-61.6-51.5178.1-66.5166.1000109.8L336 E337 A342 N343 D344L336-I340 HydrophobicContact CD1-CD1 4.48Å; L336-I340 HydrophobicContact CG-CD1 4.25Å; L336-I340 WeakPolarHBondContact O-CG1 3.46Å; L336-I340 PolarHBondContact O-N 2.95Å; L336-I340 VanDerWaalsContact O-N 3.08Å; E337-I340 PolarHBondContact O-N 3.14Å; I340-A342 VanDerWaalsContact C-N 3.29Å; I340-A342 PolarHBondContact O-N 2.99Å; I340-N343 PolarHBondContact O-N 2.84Å; I340-N343 VanDerWaalsContact O-N 3.09Å; I340-D344 PolarHBondContact O-N 3.21Å
341I90.4Very high87.4Confident48 Ų4848.9 Ų48.925%0.24626%0.263CS..Hα-helixtrans-59.2-40.5180-67167000111.5E337 N343 D344 T345 H574E337-I341 HydrophobicContact CG-CD1 3.8Å; E337-I341 WeakPolarHBondContact O-CG1 3.18Å; E337-I341 PolarHBondContact O-N 3.48Å; I341-N343 PolarHBondContact O-N 2.75Å; I341-D344 PolarHBondContact O-N 3.35Å; I341-T345 WeakPolarHBondContact O-CB 3.44Å; I341-T345 PolarHBondContact O-N 2.89Å; I341-T345 PolarHBondContact O-OG1 3.19Å; I341-H574 HydrophobicContact CD1-CB 4.34Å; I341-H574 HydrophobicContact CG2-CB 3.93Å
342A91.4Very high88.4Confident0 Ų051 Ų510%028%0.278CS..Hα-helixtrans-63.8-41.3177.700000111.7A338 L339 I340 R346 L554 F558 F582A338-A342 VanDerWaalsContact O-CB 3.29Å; A338-A342 WeakPolarHBondContact O-CB 3.45Å; A338-A342 PolarHBondContact O-N 3.47Å; L339-A342 PolarHBondContact O-N 2.95Å; I340-A342 VanDerWaalsContact C-N 3.29Å; I340-A342 PolarHBondContact O-N 2.99Å; A342-R346 WeakPolarHBondContact O-CB 3.5Å; A342-R346 PolarHBondContact O-N 3.32Å; A342-L554 HydrophobicContact CB-CD2 4.14Å; A342-F558 HydrophobicContact CB-CE1 3.86Å; A342-F558 HydrophobicContact CB-CZ 3.95Å; A342-F582 WeakPolarHBondContact O-CE2 3.44Å
343N89.7Confident89.4Confident65 Ų6549.2 Ų49.235%0.34827%0.266SS..Hα-helixtrans-71.2-36.9178.1-164.952.2000112.6L339 I340 I341 R346 T347 L554L339-N343 PolarHBondContact O-N 3.39Å; L339-N343 VanDerWaalsContact O-N 3.09Å; I340-N343 PolarHBondContact O-N 2.84Å; I340-N343 VanDerWaalsContact O-N 3.09Å; I341-N343 PolarHBondContact O-N 2.75Å; N343-R346 WeakPolarHBondContact O-CB 3.47Å; N343-R346 PolarHBondContact O-N 3.29Å; N343-T347 WeakPolarHBondContact O-CB 3.43Å; N343-T347 PolarHBondContact O-N 2.83Å; N343-T347 PolarHBondContact O-OG1 2.97Å; N343-L554 HydrophobicContact CB-CD1 4.47Å
344D90.8Very high90.4Very high98 Ų9846 Ų4652%0.52425%0.252SS..Hα-helixtrans-65.7-43.8174.6-71.5-13.2000111I340 I341 R346 T347 A348I340-D344 PolarHBondContact O-N 3.21Å; I341-D344 PolarHBondContact O-N 3.35Å; D344-R346 PolarHBondContact O-N 3.14Å; D344-T347 PolarHBondContact O-N 3.04Å; D344-A348 WeakPolarHBondContact O-CB 3.37Å; D344-A348 PolarHBondContact O-N 3.29Å
345T92.1Very high91Very high47 Ų4747.2 Ų47.229%0.28826%0.261SS..Hα-helixtrans-63.9-41.4176.9-53.40000111.4I341 T347 A348 I349 T578I341-T345 WeakPolarHBondContact O-CB 3.44Å; I341-T345 PolarHBondContact O-N 2.89Å; I341-T345 PolarHBondContact O-OG1 3.19Å; T345-T347 VanDerWaalsContact C-N 3.34Å; T345-T347 PolarHBondContact O-N 2.81Å; T345-A348 PolarHBondContact O-N 3.01Å; T345-I349 HydrophobicContact CG2-CD1 4.02Å; T345-I349 HydrophobicContact CG2-CG1 4.46Å; T345-I349 VanDerWaalsContact O-CG1 3.27Å; T345-I349 WeakPolarHBondContact O-CG1 3.3Å; T345-I349 PolarHBondContact O-N 2.72Å; T345-T578 HydrophobicContact CG2-CG2 3.48Å; T345-T578 VanDerWaalsContact CG2-CG2 3.48Å
346R93.1Very high91.7Very high61 Ų6151.2 Ų51.223%0.2328%0.279CS..Hα-helixtrans-55.1-50.8172.2175.7-162.6171.8-147.8-0.3111A342 N343 D344 A348 I349 I350 V552 F582A342-R346 WeakPolarHBondContact O-CB 3.5Å; A342-R346 PolarHBondContact O-N 3.32Å; N343-R346 WeakPolarHBondContact O-CB 3.47Å; N343-R346 PolarHBondContact O-N 3.29Å; D344-R346 PolarHBondContact O-N 3.14Å; R346-A348 VanDerWaalsContact C-N 3.32Å; R346-A348 PolarHBondContact O-N 3.16Å; R346-I349 PolarHBondContact O-N 2.92Å; R346-I350 HydrophobicContact CG-CD1 3.91Å; R346-I350 WeakPolarHBondContact O-CG1 3.44Å; R346-I350 PolarHBondContact O-N 3.09Å; R346-V552 PolarHBondContact NE-O 2.82Å; R346-V552 PolarHBondContact NH2-O 3.46Å; R346-F582 HydrophobicContact CB-CE1 4.29Å; R346-F582 HydrophobicContact CB-CE2 3.85Å; R346-F582 HydrophobicContact CB-CZ 3.65Å; R346-F582 HydrophobicContact CG-CE1 4.21Å; R346-F582 HydrophobicContact CG-CZ 4.04Å
347T92.3Very high92.5Very high57 Ų5750.6 Ų50.635%0.3528%0.275SS..Hα-helixtrans-61.7-42.1-179.2-54.50000111N343 D344 T345 I350 N351N343-T347 WeakPolarHBondContact O-CB 3.43Å; N343-T347 PolarHBondContact O-N 2.83Å; N343-T347 PolarHBondContact O-OG1 2.97Å; D344-T347 PolarHBondContact O-N 3.04Å; T345-T347 VanDerWaalsContact C-N 3.34Å; T345-T347 PolarHBondContact O-N 2.81Å; T347-I350 PolarHBondContact O-N 3.02Å; T347-N351 WeakPolarHBondContact O-CB 3.39Å; T347-N351 PolarHBondContact O-N 2.93Å; T347-N351 PolarHBondContact O-ND2 2.75Å
348A94.3Very high93Very high60 Ų6053.5 Ų53.550%0.49629%0.287SS..Hα-helixtrans-62.6-43176.400000112.6D344 T345 R346 S352D344-A348 WeakPolarHBondContact O-CB 3.37Å; D344-A348 PolarHBondContact O-N 3.29Å; T345-A348 PolarHBondContact O-N 3.01Å; R346-A348 VanDerWaalsContact C-N 3.32Å; R346-A348 PolarHBondContact O-N 3.16Å; A348-S352 WeakPolarHBondContact O-CB 3.11Å; A348-S352 PolarHBondContact O-N 3.24Å
349I94Very high93.4Very high32 Ų3258.1 Ų58.116%0.16431%0.311CS..Hα-helixtrans-61.4-51.6176.2-67.9165.2000110.1T345 R346 N351 S352 E353 W549 V586T345-I349 HydrophobicContact CG2-CD1 4.02Å; T345-I349 HydrophobicContact CG2-CG1 4.46Å; T345-I349 VanDerWaalsContact O-CG1 3.27Å; T345-I349 WeakPolarHBondContact O-CG1 3.3Å; T345-I349 PolarHBondContact O-N 2.72Å; R346-I349 PolarHBondContact O-N 2.92Å; I349-N351 PolarHBondContact O-N 2.89Å; I349-S352 PolarHBondContact O-N 2.89Å; I349-S352 VanDerWaalsContact O-N 3.17Å; I349-S352 PolarHBondContact O-OG 2.64Å; I349-E353 WeakPolarHBondContact O-CG 3.34Å; I349-E353 PolarHBondContact O-N 2.93Å; I349-W549 HydrophobicContact CG2-CH2 4.09Å; I349-W549 HydrophobicContact CG2-CZ3 3.81Å; I349-V586 HydrophobicContact CG2-CG1 3.98Å; I349-V586 HydrophobicContact CG2-CG2 4.22Å
350I94.7Very high93.9Very high22 Ų2256.4 Ų56.411%0.11330%0.303CS..Hα-helixtrans-56.8-50.2-179.7-68.4167.7000110.4R346 T347 S352 E353 F354 W549R346-I350 HydrophobicContact CG-CD1 3.91Å; R346-I350 WeakPolarHBondContact O-CG1 3.44Å; R346-I350 PolarHBondContact O-N 3.09Å; T347-I350 PolarHBondContact O-N 3.02Å; I350-S352 VanDerWaalsContact C-N 3.27Å; I350-S352 PolarHBondContact O-N 3.42Å; I350-E353 PolarHBondContact O-N 3.29Å; I350-E353 VanDerWaalsContact O-N 3.16Å; I350-F354 HydrophobicContact CG2-CD1 4.34Å; I350-F354 HydrophobicContact CG2-CD2 3.88Å; I350-F354 HydrophobicContact CG2-CE1 4.09Å; I350-F354 HydrophobicContact CG2-CE2 3.6Å; I350-F354 HydrophobicContact CG2-CG 4.25Å; I350-F354 HydrophobicContact CG2-CZ 3.7Å; I350-F354 WeakPolarHBondContact O-CG 3.09Å; I350-F354 PolarHBondContact O-N 2.98Å; I350-W549 HydrophobicContact CG1-CD2 4.46Å; I350-W549 HydrophobicContact CG1-CE3 3.68Å; I350-W549 HydrophobicContact CG1-CZ3 4.27Å
351N95.4Very high94.3Very high88 Ų8854 Ų5447%0.47129%0.291SS..Hα-helixtrans-61.1-36.4-179.6-73-16.8000112.5T347 I349 S355T347-N351 WeakPolarHBondContact O-CB 3.39Å; T347-N351 PolarHBondContact O-N 2.93Å; T347-N351 PolarHBondContact O-ND2 2.75Å; I349-N351 PolarHBondContact O-N 2.89Å; N351-S355 WeakPolarHBondContact O-CB 3.3Å; N351-S355 PolarHBondContact O-N 3.44Å; N351-S355 PolarHBondContact O-OG 3.5Å
352S95.8Very high94.6Very high53 Ų5355.3 Ų55.337%0.37130%0.302SS..Hα-helixtrans-65.4-38.9177.877.50000112.4A348 I349 I350 K356A348-S352 WeakPolarHBondContact O-CB 3.11Å; A348-S352 PolarHBondContact O-N 3.24Å; I349-S352 PolarHBondContact O-N 2.89Å; I349-S352 VanDerWaalsContact O-N 3.17Å; I349-S352 PolarHBondContact O-OG 2.64Å; I350-S352 VanDerWaalsContact C-N 3.27Å; I350-S352 PolarHBondContact O-N 3.42Å; S352-K356 PolarHBondContact O-N 3.09Å
353E95.5Very high94.8Very high4 Ų459.2 Ų59.22%0.01932%0.321CS..Hα-helixtrans-78.1-39.1-179.3-60.5-65.3161.900111.1I349 I350 S355 K356 L357 W549 R590I349-E353 WeakPolarHBondContact O-CG 3.34Å; I349-E353 PolarHBondContact O-N 2.93Å; I350-E353 PolarHBondContact O-N 3.29Å; I350-E353 VanDerWaalsContact O-N 3.16Å; E353-S355 VanDerWaalsContact C-N 3.26Å; E353-S355 PolarHBondContact O-N 2.99Å; E353-K356 WeakPolarHBondContact O-CB 3.27Å; E353-K356 PolarHBondContact O-N 3.25Å; E353-K356 IonicContact OE1-NZ 2.67Å; E353-K356 PolarHBondContact OE1-NZ 3.37Å; E353-K356 WeakPolarHBondContact OE2-CD 3.35Å; E353-K356 WeakPolarHBondContact OE2-CE 3.29Å; E353-K356 IonicContact OE2-NZ 3.44Å; E353-K356 PolarHBondContact OE2-NZ 2.73Å; E353-L357 PolarHBondContact O-N 3.07Å; E353-W549 HydrophobicContact CB-CH2 4.08Å; E353-W549 HydrophobicContact CB-CZ2 3.6Å; E353-W549 HydrophobicContact CG-CH2 3.54Å; E353-W549 HydrophobicContact CG-CZ2 3.5Å; E353-R590 HydrophobicContact CG-CG 4.48Å; E353-R590 IonicContact OE1-CZ 3.59Å; E353-R590 IonicContact OE1-NE 3.76Å; E353-R590 PolarHBondContact OE1-NE 3.49Å; E353-R590 IonicContact OE1-NH2 2.83Å
354F96.4Very high95.1Very high63 Ų6356.3 Ų56.328%0.27631%0.306SS..Hα-helixtrans-62.8-34.7172.6-74.15.8000112.2I350 K356 L357 K358 I546 W549I350-F354 HydrophobicContact CG2-CD1 4.34Å; I350-F354 HydrophobicContact CG2-CD2 3.88Å; I350-F354 HydrophobicContact CG2-CE1 4.09Å; I350-F354 HydrophobicContact CG2-CE2 3.6Å; I350-F354 HydrophobicContact CG2-CG 4.25Å; I350-F354 HydrophobicContact CG2-CZ 3.7Å; I350-F354 WeakPolarHBondContact O-CG 3.09Å; I350-F354 PolarHBondContact O-N 2.98Å; F354-K356 VanDerWaalsContact C-N 3.28Å; F354-K356 PolarHBondContact O-N 2.93Å; F354-L357 HydrophobicContact CD1-CD1 4.49Å; F354-L357 PolarHBondContact O-N 2.68Å; F354-K358 WeakPolarHBondContact O-CB 3.21Å; F354-K358 PolarHBondContact O-N 3.2Å; F354-I546 HydrophobicContact CD1-CG1 4.44Å; F354-I546 HydrophobicContact CE1-CB 4.35Å; F354-I546 HydrophobicContact CE1-CG1 4.03Å; F354-I546 HydrophobicContact CE1-CG2 4.21Å; F354-I546 HydrophobicContact CE2-CG2 4.28Å; F354-I546 HydrophobicContact CZ-CB 4.35Å; F354-I546 HydrophobicContact CZ-CG1 4.34Å; F354-I546 HydrophobicContact CZ-CG2 3.72Å; F354-W549 HydrophobicContact CE1-CB 4.04Å; F354-W549 AromaticContact CE1-CD1 3.53Å; F354-W549 HydrophobicContact CE1-CD2 4.48Å; F354-W549 AromaticContact CE1-CG 3.73Å; F354-W549 HydrophobicContact CE1-CG 3.73Å; F354-W549 HydrophobicContact CZ-CB 4.05Å; F354-W549 HydrophobicContact CZ-CG 4.25Å
355S96.1Very high95.3Very high62 Ų6255.9 Ų55.943%0.43430%0.301SS..Hα-helixtrans-62.6-34.9173.7-620000112.1N351 E353 N359N351-S355 WeakPolarHBondContact O-CB 3.3Å; N351-S355 PolarHBondContact O-N 3.44Å; N351-S355 PolarHBondContact O-OG 3.5Å; E353-S355 VanDerWaalsContact C-N 3.26Å; E353-S355 PolarHBondContact O-N 2.99Å; S355-N359 WeakPolarHBondContact O-CB 3.32Å; S355-N359 PolarHBondContact O-N 2.87Å; S355-N359 PolarHBondContact O-ND2 3.47Å; S355-N359 PolarHBondContact O-OD1 3.26Å
356K97.3Very high95.4Very high86 Ų8656.5 Ų56.537%0.37431%0.307SS..Hα-helixtrans-66.5-43.8175-62.4175.1-167.9165.10111.8S352 E353 F354 N359 A360 L597S352-K356 PolarHBondContact O-N 3.09Å; E353-K356 WeakPolarHBondContact O-CB 3.27Å; E353-K356 PolarHBondContact O-N 3.25Å; E353-K356 IonicContact OE1-NZ 2.67Å; E353-K356 PolarHBondContact OE1-NZ 3.37Å; E353-K356 WeakPolarHBondContact OE2-CD 3.35Å; E353-K356 WeakPolarHBondContact OE2-CE 3.29Å; E353-K356 IonicContact OE2-NZ 3.44Å; E353-K356 PolarHBondContact OE2-NZ 2.73Å; F354-K356 VanDerWaalsContact C-N 3.28Å; F354-K356 PolarHBondContact O-N 2.93Å; K356-N359 PolarHBondContact O-N 3.27Å; K356-A360 PolarHBondContact O-N 2.8Å; K356-L597 HydrophobicContact CB-CD1 4.02Å
357L97.1Very high95.3Very high4 Ų454.4 Ų54.42%0.02130%0.3CS..Hα-helixtrans-62.4-45.2176.3-66.2175.9000111.2E353 F354 N359 A360 D361 R542 V545 I546 V593 L597E353-L357 PolarHBondContact O-N 3.07Å; F354-L357 HydrophobicContact CD1-CD1 4.49Å; F354-L357 PolarHBondContact O-N 2.68Å; L357-N359 VanDerWaalsContact C-N 3.33Å; L357-N359 PolarHBondContact O-N 2.99Å; L357-A360 WeakPolarHBondContact O-CA 3.24Å; L357-A360 VanDerWaalsContact O-CB 3.28Å; L357-A360 WeakPolarHBondContact O-CB 3.11Å; L357-A360 PolarHBondContact O-N 2.81Å; L357-D361 PolarHBondContact O-N 3.47Å; L357-R542 HydrophobicContact CD2-CG 4.43Å; L357-V545 HydrophobicContact CD1-CG1 4.24Å; L357-I546 HydrophobicContact CD1-CG1 4Å; L357-V593 HydrophobicContact CD1-CG2 4.42Å; L357-V593 HydrophobicContact CD2-CG1 4.08Å; L357-V593 HydrophobicContact CG-CG1 4.3Å; L357-L597 HydrophobicContact CD2-CD2 4.08Å; L357-L597 HydrophobicContact CD2-CG 4.28Å
358K96Very high95.1Very high143 Ų14353.8 Ų53.862%0.62229%0.293SS*.Hα-helixtrans-61.9-39.1176.2-173.8178.4-179.6179.40112.8F354 A360 D361 T362F354-K358 WeakPolarHBondContact O-CB 3.21Å; F354-K358 PolarHBondContact O-N 3.2Å; K358-A360 VanDerWaalsContact C-N 3.28Å; K358-A360 PolarHBondContact O-N 2.89Å; K358-D361 WeakPolarHBondContact O-CB 3.43Å; K358-D361 PolarHBondContact O-N 2.97Å; K358-T362 PolarHBondContact O-N 3.47Å; K358-T362 PolarHBondContact O-OG1 3.32Å
359N96.5Very high95Very high98 Ų9857 Ų5752%0.52430%0.303SS..Hα-helixtrans-64-37.5173.7-71.3-16.7000111.1S355 K356 L357 T362 I363S355-N359 WeakPolarHBondContact O-CB 3.32Å; S355-N359 PolarHBondContact O-N 2.87Å; S355-N359 PolarHBondContact O-ND2 3.47Å; S355-N359 PolarHBondContact O-OD1 3.26Å; K356-N359 PolarHBondContact O-N 3.27Å; L357-N359 VanDerWaalsContact C-N 3.33Å; L357-N359 PolarHBondContact O-N 2.99Å; N359-T362 PolarHBondContact O-N 2.94Å; N359-I363 VanDerWaalsContact O-CG1 3.31Å; N359-I363 WeakPolarHBondContact O-CG1 3.25Å; N359-I363 PolarHBondContact O-N 3.25Å
360A96.5Very high94.9Very high5 Ų561.9 Ų61.94%0.04132%0.324CS..Hα-helixtrans-65.5-39.5175.200000112.4K356 L357 K358 T362 I363 L364 L597 Q600K356-A360 PolarHBondContact O-N 2.8Å; L357-A360 WeakPolarHBondContact O-CA 3.24Å; L357-A360 VanDerWaalsContact O-CB 3.28Å; L357-A360 WeakPolarHBondContact O-CB 3.11Å; L357-A360 PolarHBondContact O-N 2.81Å; K358-A360 VanDerWaalsContact C-N 3.28Å; K358-A360 PolarHBondContact O-N 2.89Å; A360-T362 VanDerWaalsContact C-N 3.35Å; A360-I363 PolarHBondContact O-N 3.21Å; A360-L364 PolarHBondContact O-N 3.32Å; A360-L597 HydrophobicContact CB-CD2 3.35Å; A360-Q600 PolarHBondContact O-NE2 2.99Å; A360-Q600 PolarHBondContact O-OE1 3.44Å
361D95.6Very high94.6Very high37 Ų3762.5 Ų62.520%0.19833%0.327CS..Hα-helixtrans-58.9-46.3170.7-74.4-46.9000111.6L357 K358 I363 L364 E365 K539 R542L357-D361 PolarHBondContact O-N 3.47Å; K358-D361 WeakPolarHBondContact O-CB 3.43Å; K358-D361 PolarHBondContact O-N 2.97Å; D361-I363 VanDerWaalsContact C-N 3.31Å; D361-I363 PolarHBondContact O-N 2.86Å; D361-L364 PolarHBondContact O-N 3.48Å; D361-L364 VanDerWaalsContact O-N 3.17Å; D361-E365 WeakPolarHBondContact O-CB 3.38Å; D361-E365 WeakPolarHBondContact O-CG 3.27Å; D361-E365 PolarHBondContact O-N 2.97Å; D361-K539 WeakPolarHBondContact OD1-CE 3.27Å; D361-R542 IonicContact OD1-CZ 2.74Å; D361-R542 IonicContact OD1-NH1 3.95Å; D361-R542 PolarHBondContact OD1-NH1 2.86Å
362T96.5Very high94.4Very high77 Ų7762.8 Ų62.847%0.47233%0.328SS..Hα-helixtrans-61.9-40.5-179.7-52.90000111.4K358 N359 A360 S366K358-T362 PolarHBondContact O-N 3.47Å; K358-T362 PolarHBondContact O-OG1 3.32Å; N359-T362 PolarHBondContact O-N 2.94Å; A360-T362 VanDerWaalsContact C-N 3.35Å; T362-S366 WeakPolarHBondContact O-CB 3.43Å; T362-S366 PolarHBondContact O-N 2.88Å
363I96Very high94.2Very high81 Ų8160.9 Ų60.942%0.41531%0.313SS..Hα-helixtrans-63.5-47.2175.2-68.4164.9000110.2N359 A360 D361 E365 S366 E367 L604N359-I363 VanDerWaalsContact O-CG1 3.31Å; N359-I363 WeakPolarHBondContact O-CG1 3.25Å; N359-I363 PolarHBondContact O-N 3.25Å; A360-I363 PolarHBondContact O-N 3.21Å; D361-I363 VanDerWaalsContact C-N 3.31Å; D361-I363 PolarHBondContact O-N 2.86Å; I363-E365 PolarHBondContact O-N 3.28Å; I363-S366 PolarHBondContact O-N 2.66Å; I363-S366 PolarHBondContact O-OG 3.09Å; I363-E367 WeakPolarHBondContact O-CG 3.49Å; I363-E367 PolarHBondContact O-N 3.38Å; I363-E367 VanDerWaalsContact O-N 3.13Å; I363-L604 HydrophobicContact CG2-CD1 3.8Å
364L95Very high94Very high5 Ų563 Ų633%0.02633%0.327CS..Hα-helixtrans-59.6-46178.3177.558.9000111.6A360 D361 S366 E367 M368 L535 K539 L604A360-L364 PolarHBondContact O-N 3.32Å; D361-L364 PolarHBondContact O-N 3.48Å; D361-L364 VanDerWaalsContact O-N 3.17Å; L364-S366 VanDerWaalsContact C-N 3.3Å; L364-S366 PolarHBondContact O-N 3.22Å; L364-E367 PolarHBondContact O-N 2.89Å; L364-M368 HydrophobicContact CD1-CG 4.42Å; L364-M368 HydrophobicContact CD1-SD 4.47Å; L364-M368 HydrophobicContact CG-SD 4.06Å; L364-M368 WeakPolarHBondContact O-CG 3.41Å; L364-M368 PolarHBondContact O-N 2.96Å; L364-L535 HydrophobicContact CD1-CB 4.27Å; L364-L535 HydrophobicContact CD1-CD1 4.19Å; L364-L535 HydrophobicContact CD1-CD2 4.18Å; L364-L535 HydrophobicContact CD1-CG 4.46Å; L364-K539 HydrophobicContact CD2-CB 4.14Å; L364-K539 HydrophobicContact CD2-CD 4.07Å; L364-L604 HydrophobicContact CD1-CD2 4.02Å
365E94.5Very high93.7Very high89 Ų8966 Ų6642%0.41634%0.337SS..Hα-helixtrans-62.2-35.7176.9-73.5173.6-172.500112.5D361 I363 M368 N369 K539D361-E365 WeakPolarHBondContact O-CB 3.38Å; D361-E365 WeakPolarHBondContact O-CG 3.27Å; D361-E365 PolarHBondContact O-N 2.97Å; I363-E365 PolarHBondContact O-N 3.28Å; E365-M368 WeakPolarHBondContact O-CB 3.16Å; E365-M368 PolarHBondContact O-N 3.43Å; E365-N369 WeakPolarHBondContact O-CB 3.29Å; E365-N369 VanDerWaalsContact O-CG 3.26Å; E365-N369 PolarHBondContact O-N 3.01Å; E365-N369 PolarHBondContact O-ND2 3.31Å; E365-N369 VanDerWaalsContact O-ND2 3.07Å; E365-K539 IonicContact OE1-NZ 2.69Å; E365-K539 PolarHBondContact OE1-NZ 3.44Å
366S94.6Very high93.5Very high59 Ų5963.3 Ų63.341%0.41332%0.318SS..Hα-helixtrans-64.7-43.3175.676.10000112.3T362 I363 L364 N369 Q370T362-S366 WeakPolarHBondContact O-CB 3.43Å; T362-S366 PolarHBondContact O-N 2.88Å; I363-S366 PolarHBondContact O-N 2.66Å; I363-S366 PolarHBondContact O-OG 3.09Å; L364-S366 VanDerWaalsContact C-N 3.3Å; L364-S366 PolarHBondContact O-N 3.22Å; S366-N369 PolarHBondContact O-N 3.27Å; S366-Q370 WeakPolarHBondContact O-CB 3.37Å; S366-Q370 PolarHBondContact O-N 3.01Å
367E91Very high93.2Very high17 Ų1759.5 Ų59.58%0.07930%0.302CS..Hα-helixtrans-68.9-37.1177.5-62.4-77.2143.800111.2I363 L364 Q370 H371 L604 R608I363-E367 WeakPolarHBondContact O-CG 3.49Å; I363-E367 PolarHBondContact O-N 3.38Å; I363-E367 VanDerWaalsContact O-N 3.13Å; L364-E367 PolarHBondContact O-N 2.89Å; E367-Q370 PolarHBondContact O-N 2.82Å; E367-H371 PolarHBondContact O-N 3.42Å; E367-L604 HydrophobicContact CB-CD2 4.27Å; E367-L604 HydrophobicContact CG-CD2 4.09Å; E367-R608 VanDerWaalsContact CD-NH2 3.34Å; E367-R608 IonicContact OE1-CZ 3.13Å; E367-R608 IonicContact OE1-NE 3.05Å; E367-R608 PolarHBondContact OE1-NE 3.36Å; E367-R608 IonicContact OE1-NH2 2.58Å; E367-R608 PolarHBondContact OE1-NH2 3.48Å; E367-R608 WeakPolarHBondContact OE2-CG 3.35Å; E367-R608 IonicContact OE2-CZ 2.77Å; E367-R608 IonicContact OE2-NE 3.77Å; E367-R608 PolarHBondContact OE2-NE 3.45Å; E367-R608 IonicContact OE2-NH2 3.17Å
368M88.9Confident93Very high44 Ų4464.5 Ų64.522%0.21733%0.325CS..Hα-helixtrans-59.3-49173.7-75.3172.957.600111.9L364 E365 Q370 H371 N372 F373 W532L364-M368 HydrophobicContact CD1-CG 4.42Å; L364-M368 HydrophobicContact CD1-SD 4.47Å; L364-M368 HydrophobicContact CG-SD 4.06Å; L364-M368 WeakPolarHBondContact O-CG 3.41Å; L364-M368 PolarHBondContact O-N 2.96Å; E365-M368 WeakPolarHBondContact O-CB 3.16Å; E365-M368 PolarHBondContact O-N 3.43Å; M368-Q370 VanDerWaalsContact C-N 3.34Å; M368-H371 PolarHBondContact O-N 3.05Å; M368-N372 WeakPolarHBondContact O-CA 3.37Å; M368-N372 PolarHBondContact O-N 3.29Å; M368-F373 PolarHBondContact O-N 3.29Å; M368-W532 HydrophobicContact CE-CH2 3.52Å; M368-W532 HydrophobicContact CE-CZ2 4.41Å; M368-W532 HydrophobicContact CE-CZ3 4.32Å; M368-W532 HydrophobicContact CG-CH2 3.66Å; M368-W532 HydrophobicContact CG-CZ3 3.46Å; M368-W532 VanDerWaalsContact CG-CZ3 3.46Å; M368-W532 HydrophobicContact SD-CH2 3.61Å; M368-W532 HydrophobicContact SD-CZ3 3.9Å
369N92.6Very high92.7Very high129 Ų12958.7 Ų58.769%0.6930%0.301SS*.Hα-helixtrans-67.8-35.5-179.2-72.6-33.9000111.9E365 S366 H371 N372E365-N369 WeakPolarHBondContact O-CB 3.29Å; E365-N369 VanDerWaalsContact O-CG 3.26Å; E365-N369 PolarHBondContact O-N 3.01Å; E365-N369 PolarHBondContact O-ND2 3.31Å; E365-N369 VanDerWaalsContact O-ND2 3.07Å; S366-N369 PolarHBondContact O-N 3.27Å; N369-H371 VanDerWaalsContact C-N 3.3Å; N369-H371 PolarHBondContact O-N 2.84Å; N369-N372 PolarHBondContact O-N 3.22Å
370Q91.3Very high92.5Very high133 Ų13355.8 Ų55.862%0.62129%0.288SS*.Hα-helixtrans-59.6-40178.3179.5176.1-12.400112.5S366 E367 M368S366-Q370 WeakPolarHBondContact O-CB 3.37Å; S366-Q370 PolarHBondContact O-N 3.01Å; E367-Q370 PolarHBondContact O-N 2.82Å; M368-Q370 VanDerWaalsContact C-N 3.34Å
371H89Confident92.2Very high35 Ų3555.6 Ų55.616%0.16229%0.286CS..Hα-helixtrans-104.11.2-177.2-65-62.9000114.1E367 M368 N369 F373 S376 F615E367-H371 PolarHBondContact O-N 3.42Å; M368-H371 PolarHBondContact O-N 3.05Å; N369-H371 VanDerWaalsContact C-N 3.3Å; N369-H371 PolarHBondContact O-N 2.84Å; H371-F373 VanDerWaalsContact C-N 3.32Å; H371-F373 HydrophobicContact CB-CD1 4Å; H371-F373 HydrophobicContact CB-CD2 3.88Å; H371-F373 HydrophobicContact CB-CE1 3.73Å; H371-F373 HydrophobicContact CB-CE2 3.59Å; H371-F373 HydrophobicContact CB-CG 4.07Å; H371-F373 HydrophobicContact CB-CZ 3.53Å; H371-F373 PolarHBondContact O-N 3.37Å; H371-S376 PolarHBondContact O-OG 3.16Å; H371-S376 VanDerWaalsContact O-OG 3.08Å; H371-F615 HydrophobicContact CB-CE2 3.81Å; H371-F615 HydrophobicContact CB-CZ 3.87Å; H371-F615 AromaticContact CG-CE2 3.65Å; H371-F615 AromaticContact ND1-CD2 3.53Å; H371-F615 AromaticContact ND1-CE2 3.16Å; H371-F615 WeakPolarHBondContact ND1-CE2 3.35Å; H371-F615 AromaticContact ND1-CZ 3.89Å
372N90.4Very high92Very high94 Ų9454.9 Ų54.950%0.50328%0.282SS..THydrogen-bonded Turntrans56.343.6-175.8-162.831.3000112.6M368 N369 R375 S376M368-N372 WeakPolarHBondContact O-CA 3.37Å; M368-N372 PolarHBondContact O-N 3.29Å; N369-N372 PolarHBondContact O-N 3.22Å; N372-R375 WeakPolarHBondContact O-CB 3.34Å; N372-R375 PolarHBondContact O-N 2.96Å; N372-S376 PolarHBondContact O-N 3.41Å
373F91.7Very high91.7Very high13 Ų1353.2 Ų53.26%0.05727%0.268CS..THydrogen-bonded Turntrans-80.4145.3176.4-66.3-27.6000112.1M368 H371 S376 L377 W532 L607 F615M368-F373 PolarHBondContact O-N 3.29Å; H371-F373 VanDerWaalsContact C-N 3.32Å; H371-F373 HydrophobicContact CB-CD1 4Å; H371-F373 HydrophobicContact CB-CD2 3.88Å; H371-F373 HydrophobicContact CB-CE1 3.73Å; H371-F373 HydrophobicContact CB-CE2 3.59Å; H371-F373 HydrophobicContact CB-CG 4.07Å; H371-F373 HydrophobicContact CB-CZ 3.53Å; H371-F373 PolarHBondContact O-N 3.37Å; F373-S376 WeakPolarHBondContact CD1-OG 3.43Å; F373-S376 WeakPolarHBondContact CE1-OG 3.42Å; F373-L377 HydrophobicContact CD1-CD1 3.78Å; F373-L377 HydrophobicContact CD1-CD2 4.38Å; F373-L377 HydrophobicContact CD1-CG 3.61Å; F373-L377 HydrophobicContact CE1-CD1 3.81Å; F373-L377 HydrophobicContact CE1-CD2 3.78Å; F373-L377 HydrophobicContact CE1-CG 3.52Å; F373-L377 HydrophobicContact CG-CD1 4.24Å; F373-L377 HydrophobicContact CZ-CD1 4.28Å; F373-L377 HydrophobicContact CZ-CD2 4.41Å; F373-L377 HydrophobicContact CZ-CG 4.37Å; F373-W532 HydrophobicContact CB-CE3 4.16Å; F373-W532 HydrophobicContact CB-CH2 4.38Å; F373-W532 HydrophobicContact CB-CZ3 4.09Å; F373-W532 HydrophobicContact CD2-CE3 4.4Å; F373-L607 HydrophobicContact CD2-CD2 4.47Å; F373-L607 HydrophobicContact CE2-CD1 3.92Å; F373-L607 HydrophobicContact CE2-CD2 4.06Å; F373-L607 HydrophobicContact CE2-CG 4.23Å; F373-F615 HydrophobicContact CE1-CE2 4.17Å; F373-F615 AromaticContact CE1-CZ 3.88Å; F373-F615 HydrophobicContact CE1-CZ 3.88Å; F373-F615 AromaticContact CZ-CE2 3.99Å; F373-F615 HydrophobicContact CZ-CE2 3.99Å; F373-F615 HydrophobicContact CZ-CZ 4.18Å
374P90.5Very high91.6Very high48 Ų4849.5 Ų49.531%0.31225%0.249SC..THydrogen-bonded Turncis-83.2-3.3-033.4-35.5000113.9S376 L377 E378 W532P374-S376 VanDerWaalsContact C-N 3.32Å; P374-S376 PolarHBondContact O-N 2.92Å; P374-L377 CarbonylContact O-C 3.56Å; P374-L377 WeakPolarHBondContact O-CA 3.35Å; P374-L377 WeakPolarHBondContact O-CB 3.3Å; P374-L377 PolarHBondContact O-N 3.29Å; P374-E378 PolarHBondContact O-N 3.07Å; P374-W532 HydrophobicContact CB-CZ2 4.04Å; P374-W532 HydrophobicContact CG-CZ2 4.27Å
375R90.4Very high91.5Very high126 Ų12649.3 Ų49.348%0.47525%0.249SC..Hα-helixtrans-56.5-41.6-168.1-177.456.4-177.2171.73.3113.9N372 L377 E378N372-R375 WeakPolarHBondContact O-CB 3.34Å; N372-R375 PolarHBondContact O-N 2.96Å; R375-L377 PolarHBondContact O-N 3.27Å; R375-E378 VanDerWaalsContact CD-OE2 3.27Å; R375-E378 WeakPolarHBondContact CD-OE2 3.33Å; R375-E378 IonicContact CZ-OE2 3.39Å; R375-E378 IonicContact NE-OE2 3.98Å; R375-E378 IonicContact NH1-OE2 2.81Å; R375-E378 PolarHBondContact NH1-OE2 3.31Å; R375-E378 PolarHBondContact O-N 2.72Å
376S91.7Very high91.5Very high6 Ų645.1 Ų45.14%0.04223%0.229CC..Hα-helixtrans-67.1-26.9176.667.60000112.9H371 N372 F373 P374H371-S376 PolarHBondContact O-OG 3.16Å; H371-S376 VanDerWaalsContact O-OG 3.08Å; N372-S376 PolarHBondContact O-N 3.41Å; F373-S376 WeakPolarHBondContact CD1-OG 3.43Å; F373-S376 WeakPolarHBondContact CE1-OG 3.42Å; P374-S376 VanDerWaalsContact C-N 3.32Å; P374-S376 PolarHBondContact O-N 2.92Å
377L92Very high91.3Very high6 Ų646 Ų463%0.03123%0.226CC..Hα-helixtrans-84.8-21.2175.6-61177.4000112.4F373 P374 R375 L379 R525 L528 I529 W532 Y614F373-L377 HydrophobicContact CD1-CD1 3.78Å; F373-L377 HydrophobicContact CD1-CD2 4.38Å; F373-L377 HydrophobicContact CD1-CG 3.61Å; F373-L377 HydrophobicContact CE1-CD1 3.81Å; F373-L377 HydrophobicContact CE1-CD2 3.78Å; F373-L377 HydrophobicContact CE1-CG 3.52Å; F373-L377 HydrophobicContact CG-CD1 4.24Å; F373-L377 HydrophobicContact CZ-CD1 4.28Å; F373-L377 HydrophobicContact CZ-CD2 4.41Å; F373-L377 HydrophobicContact CZ-CG 4.37Å; P374-L377 CarbonylContact O-C 3.56Å; P374-L377 WeakPolarHBondContact O-CA 3.35Å; P374-L377 WeakPolarHBondContact O-CB 3.3Å; P374-L377 PolarHBondContact O-N 3.29Å; R375-L377 PolarHBondContact O-N 3.27Å; L377-L379 VanDerWaalsContact C-N 3.34Å; L377-R525 HydrophobicContact CD2-CG 4.34Å; L377-R525 PolarHBondContact O-NE 3.22Å; L377-R525 PolarHBondContact O-NH2 2.89Å; L377-L528 HydrophobicContact CD1-CB 4.31Å; L377-L528 HydrophobicContact CD2-CB 3.81Å; L377-L528 HydrophobicContact CD2-CD1 4.19Å; L377-I529 HydrophobicContact CB-CG1 3.96Å; L377-I529 HydrophobicContact CD1-CG1 4.29Å; L377-I529 HydrophobicContact CG-CG1 4.5Å; L377-W532 HydrophobicContact CD1-CB 4.07Å; L377-W532 HydrophobicContact CD1-CG 4.26Å; L377-Y614 HydrophobicContact CD2-CE1 4.39Å
378E91.8Very high91.3Very high109 Ų10947.8 Ų47.851%0.50924%0.244SC..Hα-helixtrans-69.4-33.8175.4-71.1173.8175.700112.5P374 R375 R525P374-E378 PolarHBondContact O-N 3.07Å; R375-E378 VanDerWaalsContact CD-OE2 3.27Å; R375-E378 WeakPolarHBondContact CD-OE2 3.33Å; R375-E378 IonicContact CZ-OE2 3.39Å; R375-E378 IonicContact NE-OE2 3.98Å; R375-E378 IonicContact NH1-OE2 2.81Å; R375-E378 PolarHBondContact NH1-OE2 3.31Å; R375-E378 PolarHBondContact O-N 2.72Å; E378-R525 PolarHBondContact O-NH2 3.07Å
379L90.9Very high91.5Very high21 Ų2145.7 Ų45.711%0.1123%0.234CC..SBendtrans-74.1142.9177-60.4176.9000109.9L377 E383 L384 R525L377-L379 VanDerWaalsContact C-N 3.34Å; L379-E383 HydrophobicContact CB-CB 4.2Å; L379-L384 HydrophobicContact CB-CB 4.4Å; L379-L384 HydrophobicContact CD1-CD1 4.16Å; L379-R525 VanDerWaalsContact O-CZ 3.3Å; L379-R525 PolarHBondContact O-NE 3.43Å; L379-R525 PolarHBondContact O-NH2 2.93Å
380S90.8Very high91.5Very high38 Ų3840.4 Ų40.427%0.26621%0.206SC..  trans-60.2155164.960.20000110.4F382 E383 L384S380-F382 PolarHBondContact O-N 3.06Å; S380-E383 PolarHBondContact N-OE2 2.84Å; S380-E383 PolarHBondContact O-N 3.17Å; S380-E383 VanDerWaalsContact O-N 3.12Å; S380-E383 WeakPolarHBondContact OG-CB 3.36Å; S380-E383 WeakPolarHBondContact OG-CG 3.34Å; S380-E383 PolarHBondContact OG-N 2.94Å; S380-E383 PolarHBondContact OG-OE2 3.05Å; S380-L384 PolarHBondContact O-N 3.18Å
381V91.8Very high91.6Very high0 Ų040.9 Ų40.90%021%0.206CC..Hα-helixtrans-54.9-40.1178168.20000111.4L384 I385 I518 I521 E522 R525 Y614V381-L384 PolarHBondContact O-N 3.36Å; V381-I385 HydrophobicContact CG1-CD1 3.8Å; V381-I385 HydrophobicContact CG1-CG1 4.43Å; V381-I385 VanDerWaalsContact O-CG1 3.3Å; V381-I385 WeakPolarHBondContact O-CG1 3.35Å; V381-I385 PolarHBondContact O-N 3.2Å; V381-I518 HydrophobicContact CG1-CG2 4.13Å; V381-I521 HydrophobicContact CB-CG2 4.25Å; V381-I521 HydrophobicContact CG1-CB 3.97Å; V381-I521 HydrophobicContact CG1-CG2 3.53Å; V381-I521 HydrophobicContact CG2-CB 4.29Å; V381-I521 HydrophobicContact CG2-CG2 3.62Å; V381-E522 VanDerWaalsContact CB-OE2 3.24Å; V381-E522 WeakPolarHBondContact CB-OE2 3.45Å; V381-E522 HydrophobicContact CG2-CB 4.31Å; V381-E522 WeakPolarHBondContact CG2-OE2 3.28Å; V381-E522 PolarHBondContact N-OE2 3.4Å; V381-R525 HydrophobicContact CG2-CB 4.21Å; V381-Y614 HydrophobicContact CG2-CE2 3.91Å
382F89.9Confident91.7Very high23 Ų2341.3 Ų41.310%0.10121%0.208CC..Hα-helixtrans-66.9-39.6-179.6-158.8-103.5000113S380 L384 I385 C386 L503 I506 Q507 F510 I518S380-F382 PolarHBondContact O-N 3.06Å; F382-L384 VanDerWaalsContact C-N 3.34Å; F382-I385 PolarHBondContact O-N 3.44Å; F382-C386 PolarHBondContact O-N 2.8Å; F382-C386 PolarHBondContact O-SG 3.43Å; F382-C386 VanDerWaalsContact O-SG 3.33Å; F382-L503 HydrophobicContact CD1-CB 4.29Å; F382-L503 HydrophobicContact CD1-CD2 3.88Å; F382-L503 HydrophobicContact CE1-CB 4.1Å; F382-L503 HydrophobicContact CE1-CD2 3.91Å; F382-L503 VanDerWaalsContact CE1-O 3.3Å; F382-L503 WeakPolarHBondContact CE1-O 3.41Å; F382-I506 HydrophobicContact CE1-CB 4.29Å; F382-I506 HydrophobicContact CE1-CG2 4.29Å; F382-I506 HydrophobicContact CZ-CB 4.04Å; F382-I506 HydrophobicContact CZ-CG2 3.7Å; F382-Q507 HydrophobicContact CE1-CB 4.06Å; F382-Q507 HydrophobicContact CE2-CB 4.16Å; F382-Q507 HydrophobicContact CE2-CG 4.35Å; F382-Q507 HydrophobicContact CZ-CB 3.61Å; F382-Q507 HydrophobicContact CZ-CG 4.28Å; F382-F510 HydrophobicContact CE2-CD2 4.47Å; F382-F510 HydrophobicContact CE2-CE2 4.19Å; F382-F510 HydrophobicContact CE2-CZ 4.2Å; F382-F510 HydrophobicContact CZ-CE2 4.38Å; F382-I518 HydrophobicContact CD2-CD1 4.26Å; F382-I518 HydrophobicContact CE2-CD1 4.42Å
383E91.8Very high91.8Very high41 Ų4137.1 Ų37.119%0.19219%0.185CC..Hα-helixtrans-66-37.2172.3-74.3173.5121.700112.3L379 S380 C386 E387 L390 K499 L503L379-E383 HydrophobicContact CB-CB 4.2Å; S380-E383 PolarHBondContact N-OE2 2.84Å; S380-E383 PolarHBondContact O-N 3.17Å; S380-E383 VanDerWaalsContact O-N 3.12Å; S380-E383 WeakPolarHBondContact OG-CB 3.36Å; S380-E383 WeakPolarHBondContact OG-CG 3.34Å; S380-E383 PolarHBondContact OG-N 2.94Å; S380-E383 PolarHBondContact OG-OE2 3.05Å; E383-C386 CarbonylContact O-C 3.57Å; E383-C386 PolarHBondContact O-N 3.02Å; E383-E387 WeakPolarHBondContact O-CA 3.44Å; E383-E387 PolarHBondContact O-N 2.69Å; E383-L390 HydrophobicContact CB-CD1 4.46Å; E383-K499 IonicContact OE1-NZ 3.48Å; E383-K499 PolarHBondContact OE1-NZ 3.47Å; E383-L503 HydrophobicContact CG-CD1 4.05Å
384L92.3Very high91.8Very high3 Ų339.7 Ų39.72%0.01620%0.202CC..Hα-helixtrans-69.7-34.5178.5-172.661.5000112L379 S380 V381 F382 C386 E387 Y614 I618 R622L379-L384 HydrophobicContact CB-CB 4.4Å; L379-L384 HydrophobicContact CD1-CD1 4.16Å; S380-L384 PolarHBondContact O-N 3.18Å; V381-L384 PolarHBondContact O-N 3.36Å; F382-L384 VanDerWaalsContact C-N 3.34Å; L384-C386 VanDerWaalsContact C-N 3.33Å; L384-E387 WeakPolarHBondContact O-CB 3.38Å; L384-Y614 HydrophobicContact CD2-CE1 4.19Å; L384-Y614 WeakPolarHBondContact CD2-OH 3.48Å; L384-I618 HydrophobicContact CD2-CD1 3.47Å; L384-I618 VanDerWaalsContact CD2-CD1 3.47Å; L384-I618 HydrophobicContact CD2-CG1 4.44Å; L384-I618 HydrophobicContact CD2-CG2 4.43Å; L384-I618 HydrophobicContact CG-CD1 4.3Å; L384-I618 HydrophobicContact CG-CG2 4.17Å; L384-R622 PolarHBondContact O-NE 3Å; L384-R622 VanDerWaalsContact O-NE 3.08Å; L384-R622 PolarHBondContact O-NH2 2.95Å
385I93.6Very high91.8Very high2 Ų242.5 Ų42.51%0.0121%0.209CC..Hα-helixtrans-62.9-42168.8-71.6165000110.1V381 F382 E387 I518 I618 Y621 R622 I627V381-I385 HydrophobicContact CG1-CD1 3.8Å; V381-I385 HydrophobicContact CG1-CG1 4.43Å; V381-I385 VanDerWaalsContact O-CG1 3.3Å; V381-I385 WeakPolarHBondContact O-CG1 3.35Å; V381-I385 PolarHBondContact O-N 3.2Å; F382-I385 PolarHBondContact O-N 3.44Å; I385-E387 PolarHBondContact O-N 3.45Å; I385-I518 HydrophobicContact CD1-CD1 4.49Å; I385-I518 HydrophobicContact CD1-CG1 4.35Å; I385-I618 HydrophobicContact CG1-CG1 4.49Å; I385-I618 HydrophobicContact CG1-CG2 4.26Å; I385-Y621 HydrophobicContact CD1-CG 4.45Å; I385-R622 VanDerWaalsContact O-CG 3.25Å; I385-R622 WeakPolarHBondContact O-CG 3.44Å; I385-I627 HydrophobicContact CG2-CD1 3.43Å; I385-I627 VanDerWaalsContact CG2-CD1 3.43Å
386C93.8Very high91.7Very high0 Ų036.6 Ų36.60%019%0.187CC..SBendtrans-884-177.7-61.90000114.5F382 E383 L384 A388 L389 L390 L503F382-C386 PolarHBondContact O-N 2.8Å; F382-C386 PolarHBondContact O-SG 3.43Å; F382-C386 VanDerWaalsContact O-SG 3.33Å; E383-C386 CarbonylContact O-C 3.57Å; E383-C386 PolarHBondContact O-N 3.02Å; L384-C386 VanDerWaalsContact C-N 3.33Å; C386-A388 PolarHBondContact O-N 3.34Å; C386-L389 CarbonylContact O-C 3.39Å; C386-L389 WeakPolarHBondContact O-CA 3.48Å; C386-L389 WeakPolarHBondContact O-CB 3.28Å; C386-L389 PolarHBondContact O-N 3.24Å; C386-L390 HydrophobicContact CB-CD1 4.05Å; C386-L390 HydrophobicContact CB-CG 4Å; C386-L390 WeakPolarHBondContact O-CG 3.33Å; C386-L390 PolarHBondContact O-N 3.28Å; C386-L503 HydrophobicContact CB-CD2 4.02Å
387E91.8Very high91.5Very high77 Ų7741.2 Ų41.236%0.3621%0.208SC..Hα-helixtrans-54.4-50-165.8-177.2-177-159.300114.2E383 L384 I385 L389 L390 K391 R622E383-E387 WeakPolarHBondContact O-CA 3.44Å; E383-E387 PolarHBondContact O-N 2.69Å; L384-E387 WeakPolarHBondContact O-CB 3.38Å; I385-E387 PolarHBondContact O-N 3.45Å; E387-L389 VanDerWaalsContact C-N 3.33Å; E387-L389 PolarHBondContact O-N 3.19Å; E387-L390 PolarHBondContact O-N 3.39Å; E387-K391 PolarHBondContact O-N 3.07Å; E387-R622 IonicContact OE2-NH2 3.75Å; E387-R622 PolarHBondContact OE2-NH2 2.77Å
388A90.8Very high91.3Very high55 Ų5548.4 Ų48.446%0.45524%0.241SC..Hα-helixtrans-64.3-40.3-179.700000111.7C386 K391 E392C386-A388 PolarHBondContact O-N 3.34Å; A388-K391 PolarHBondContact O-N 3.27Å; A388-E392 PolarHBondContact O-N 3.49Å
389L93.1Very high91.1Very high0 Ų044.3 Ų44.30%023%0.225CC..Hα-helixtrans-63.4-48.5174.717260.3000110.7C386 E387 K391 E392 F393 I506 I627 L630 Q631C386-L389 CarbonylContact O-C 3.39Å; C386-L389 WeakPolarHBondContact O-CA 3.48Å; C386-L389 WeakPolarHBondContact O-CB 3.28Å; C386-L389 PolarHBondContact O-N 3.24Å; E387-L389 VanDerWaalsContact C-N 3.33Å; E387-L389 PolarHBondContact O-N 3.19Å; L389-K391 PolarHBondContact O-N 2.92Å; L389-E392 PolarHBondContact O-N 3.5Å; L389-E392 VanDerWaalsContact O-N 3.12Å; L389-F393 WeakPolarHBondContact O-CB 3.31Å; L389-F393 PolarHBondContact O-N 3.34Å; L389-I506 HydrophobicContact CD2-CD1 3.63Å; L389-I627 HydrophobicContact CB-CG2 4.32Å; L389-I627 HydrophobicContact CD2-CG2 4.26Å; L389-L630 HydrophobicContact CD1-CB 3.74Å; L389-L630 HydrophobicContact CD2-CB 3.8Å; L389-L630 HydrophobicContact CD2-CD1 3.99Å; L389-L630 HydrophobicContact CG-CB 4.45Å; L389-Q631 HydrophobicContact CB-CG 3.75Å; L389-Q631 HydrophobicContact CD1-CG 3.84Å; L389-Q631 HydrophobicContact CG-CG 4.33Å
390L92.7Very high90.9Very high18 Ų1845.3 Ų45.39%0.09424%0.24CC..Hα-helixtrans-59.4-36.7179.6-70.9175.5000111.7E383 C386 E387 V394 K499 L502 L503E383-L390 HydrophobicContact CB-CD1 4.46Å; C386-L390 HydrophobicContact CB-CD1 4.05Å; C386-L390 HydrophobicContact CB-CG 4Å; C386-L390 WeakPolarHBondContact O-CG 3.33Å; C386-L390 PolarHBondContact O-N 3.28Å; E387-L390 PolarHBondContact O-N 3.39Å; L390-V394 WeakPolarHBondContact O-CB 3.35Å; L390-V394 VanDerWaalsContact O-CG2 3.22Å; L390-V394 WeakPolarHBondContact O-CG2 3.45Å; L390-V394 PolarHBondContact O-N 3.43Å; L390-K499 HydrophobicContact CD2-CG 4.05Å; L390-L502 HydrophobicContact CD2-CD2 4.36Å; L390-L503 HydrophobicContact CD1-CD2 4.37Å; L390-L503 HydrophobicContact CD2-CD2 4.25Å
391K92.1Very high90.9Very high144 Ų14444 Ų4463%0.62623%0.232SC*.Hα-helixtrans-65.6-41.7175.5-170.3178.4-174.1174.70112.5E387 A388 L389 K395E387-K391 PolarHBondContact O-N 3.07Å; A388-K391 PolarHBondContact O-N 3.27Å; L389-K391 PolarHBondContact O-N 2.92Å; K391-K395 WeakPolarHBondContact O-CG 3.4Å; K391-K395 PolarHBondContact O-N 3.47Å
392E91.5Very high90.9Very high43 Ų4344 Ų4420%0.20123%0.232CC..Hα-helixtrans-71.2-40.2176.4-68.2178.6165.900111.6A388 L389 K395 S396 C634 K635A388-E392 PolarHBondContact O-N 3.49Å; L389-E392 PolarHBondContact O-N 3.5Å; L389-E392 VanDerWaalsContact O-N 3.12Å; E392-K395 WeakPolarHBondContact O-CB 3.47Å; E392-K395 PolarHBondContact O-N 3.46Å; E392-K395 VanDerWaalsContact O-N 3.14Å; E392-S396 PolarHBondContact O-N 3.28Å; E392-C634 HydrophobicContact CB-CB 3.83Å; E392-K635 WeakPolarHBondContact OE1-CE 3.33Å
393F92.9Very high90.9Very high6 Ų647.5 Ų47.53%0.02625%0.249CC..Hα-helixtrans-62.1-42.2175.7170.9-94000112.5L389 K395 S396 H397 L495 M497 K499 L502L389-F393 WeakPolarHBondContact O-CB 3.31Å; L389-F393 PolarHBondContact O-N 3.34Å; F393-K395 VanDerWaalsContact C-N 3.27Å; F393-K395 PolarHBondContact O-N 2.95Å; F393-S396 WeakPolarHBondContact CA-OG 3.38Å; F393-S396 PolarHBondContact O-N 3.23Å; F393-S396 PolarHBondContact O-OG 3.07Å; F393-H397 WeakPolarHBondContact O-CB 3.43Å; F393-H397 PolarHBondContact O-N 3.37Å; F393-L495 HydrophobicContact CD2-CD2 4.24Å; F393-L495 WeakPolarHBondContact CE2-O 3.24Å; F393-M497 VanDerWaalsContact CZ-O 3.25Å; F393-M497 WeakPolarHBondContact CZ-O 3.41Å; F393-K499 HydrophobicContact CE1-CB 4.48Å; F393-L502 HydrophobicContact CB-CD2 4.43Å; F393-L502 HydrophobicContact CD1-CD2 4.17Å; F393-L502 HydrophobicContact CD2-CD2 3.6Å; F393-L502 HydrophobicContact CE1-CD2 4.34Å; F393-L502 HydrophobicContact CE2-CD2 3.77Å; F393-L502 HydrophobicContact CG-CD2 3.8Å; F393-L502 HydrophobicContact CZ-CD2 4.14Å
394V91.8Very high91Very high68 Ų6847.5 Ų47.541%0.41225%0.25SC..Hα-helixtrans-62.4-38174168.40000110.8L390 H397 Q398L390-V394 WeakPolarHBondContact O-CB 3.35Å; L390-V394 VanDerWaalsContact O-CG2 3.22Å; L390-V394 WeakPolarHBondContact O-CG2 3.45Å; L390-V394 PolarHBondContact O-N 3.43Å; V394-H397 PolarHBondContact O-N 3.33Å; V394-Q398 HydrophobicContact CG1-CG 4.36Å; V394-Q398 WeakPolarHBondContact O-CB 3.42Å; V394-Q398 VanDerWaalsContact O-CG 3.31Å; V394-Q398 WeakPolarHBondContact O-CG 3.41Å; V394-Q398 PolarHBondContact O-N 2.74Å
395K90.4Very high91.1Very high106 Ų10647.4 Ų47.446%0.46125%0.25SC..Hα-helixtrans-66.9-40.2175.6-69.9174179.4-177.80112.2K391 E392 F393 H397 S399 L638K391-K395 WeakPolarHBondContact O-CG 3.4Å; K391-K395 PolarHBondContact O-N 3.47Å; E392-K395 WeakPolarHBondContact O-CB 3.47Å; E392-K395 PolarHBondContact O-N 3.46Å; E392-K395 VanDerWaalsContact O-N 3.14Å; F393-K395 VanDerWaalsContact C-N 3.27Å; F393-K395 PolarHBondContact O-N 2.95Å; K395-H397 VanDerWaalsContact C-N 3.33Å; K395-S399 VanDerWaalsContact O-CB 3.32Å; K395-S399 WeakPolarHBondContact O-CB 3.31Å; K395-S399 PolarHBondContact O-N 2.9Å; K395-S399 VanDerWaalsContact O-N 3.1Å; K395-S399 PolarHBondContact O-OG 3.22Å; K395-L638 HydrophobicContact CB-CD1 4.28Å; K395-L638 HydrophobicContact CB-CD2 4.45Å
396S88.5Confident91.1Very high2 Ų250.4 Ų50.41%0.01426%0.261CS..Hα-helixtrans-64.2-40.517660.30000111.2E392 F393 S399 G401 F637E392-S396 PolarHBondContact O-N 3.28Å; F393-S396 WeakPolarHBondContact CA-OG 3.38Å; F393-S396 PolarHBondContact O-N 3.23Å; F393-S396 PolarHBondContact O-OG 3.07Å; S396-S399 WeakPolarHBondContact O-CB 3.48Å; S396-S399 PolarHBondContact O-N 3.37Å; S396-G401 PolarHBondContact O-N 2.82Å; S396-F637 VanDerWaalsContact CB-CD1 3.46Å
397H87.2Confident91.2Very high103 Ų10357.9 Ų57.948%0.47729%0.289SS..Hα-helixtrans-69.4-42.2178.3-159.4-53.8000112.8F393 V394 K395 S399 G400F393-H397 WeakPolarHBondContact O-CB 3.43Å; F393-H397 PolarHBondContact O-N 3.37Å; V394-H397 PolarHBondContact O-N 3.33Å; K395-H397 VanDerWaalsContact C-N 3.33Å; H397-S399 PolarHBondContact O-N 3.49Å; H397-G400 PolarHBondContact O-N 3.36Å
398Q88.2Confident91.4Very high158 Ų15856.6 Ų56.674%0.73828%0.282SS*.Hα-helixtrans-62-25.4172.7-76.5177.7-7.100112.7V394 G400V394-Q398 HydrophobicContact CG1-CG 4.36Å; V394-Q398 WeakPolarHBondContact O-CB 3.42Å; V394-Q398 VanDerWaalsContact O-CG 3.31Å; V394-Q398 WeakPolarHBondContact O-CG 3.41Å; V394-Q398 PolarHBondContact O-N 2.74Å; Q398-G400 PolarHBondContact O-N 3.05Å
399S86.7Confident91.6Very high23 Ų2354.1 Ų54.116%0.16126%0.261CS..THydrogen-bonded Turntrans-79.73.3179.8-63.10000114.3K395 S396 H397 R641K395-S399 VanDerWaalsContact O-CB 3.32Å; K395-S399 WeakPolarHBondContact O-CB 3.31Å; K395-S399 PolarHBondContact O-N 2.9Å; K395-S399 VanDerWaalsContact O-N 3.1Å; K395-S399 PolarHBondContact O-OG 3.22Å; S396-S399 WeakPolarHBondContact O-CB 3.48Å; S396-S399 PolarHBondContact O-N 3.37Å; H397-S399 PolarHBondContact O-N 3.49Å; S399-R641 VanDerWaalsContact CB-CD 3.45Å; S399-R641 PolarHBondContact OG-NE 3.46Å
400G87.1Confident91.7Very high42 Ų4258.2 Ų58.243%0.43328%0.281SS..THydrogen-bonded Turntrans103.60.8175.900000115.5H397 Q398 N404H397-G400 PolarHBondContact O-N 3.36Å; Q398-G400 PolarHBondContact O-N 3.05Å; G400-N404 WeakPolarHBondContact O-CB 3.24Å
401G90.2Very high91.7Very high9 Ų959.8 Ų59.89%0.09329%0.293CS..Hα-helixtrans72.7-178.4179.400000114.3S396 E403 N404 L405S396-G401 PolarHBondContact O-N 2.82Å; G401-E403 VanDerWaalsContact C-N 3.34Å; G401-E403 PolarHBondContact O-N 3.33Å; G401-N404 PolarHBondContact O-N 3.37Å; G401-L405 PolarHBondContact O-N 3.18Å
402V92.2Very high91.8Very high1 Ų153 Ų531%0.00626%0.264CS..Hα-helixtrans-67.7-36.6-174.2-173.50000111.5N404 L405 R406 F485 F492 L495 D496 F637V402-N404 PolarHBondContact O-N 3.27Å; V402-L405 PolarHBondContact O-N 3.1Å; V402-R406 WeakPolarHBondContact O-CB 3.39Å; V402-R406 PolarHBondContact O-N 2.92Å; V402-F485 HydrophobicContact CG1-CE2 4.45Å; V402-F485 HydrophobicContact CG1-CZ 4.39Å; V402-F492 HydrophobicContact CB-CB 4.47Å; V402-F492 HydrophobicContact CG1-CB 3.98Å; V402-F492 HydrophobicContact CG2-CB 3.57Å; V402-F492 WeakPolarHBondContact CG2-O 3.31Å; V402-L495 HydrophobicContact CG2-CB 4.45Å; V402-D496 WeakPolarHBondContact CB-OD2 3.47Å; V402-D496 WeakPolarHBondContact CG2-OD1 3.43Å; V402-D496 PolarHBondContact N-OD1 2.89Å; V402-F637 HydrophobicContact CG2-CD2 4.43Å; V402-F637 HydrophobicContact CG2-CE2 4.15Å
403E91Very high91.8Very high97 Ų9755.9 Ų55.945%0.45328%0.275SS..Hα-helixtrans-69.3-31.9-179.1-168.652.3-143.700113.3G401 R406 R407G401-E403 VanDerWaalsContact C-N 3.34Å; G401-E403 PolarHBondContact O-N 3.33Å; E403-R406 VanDerWaalsContact OE2-CD 3.29Å; E403-R406 WeakPolarHBondContact OE2-CD 3.43Å; E403-R406 IonicContact OE2-CZ 3.13Å; E403-R406 IonicContact OE2-NE 3.6Å; E403-R406 PolarHBondContact OE2-NE 3.2Å; E403-R407 WeakPolarHBondContact O-CG 3.28Å; E403-R407 PolarHBondContact O-N 2.99Å; E403-R407 VanDerWaalsContact O-N 3.08Å
404N92.5Very high91.8Very high40 Ų4058.5 Ų58.521%0.21429%0.293CS..Hα-helixtrans-67.3-44.5171.6-173.4-84000111.3G400 G401 V402 R406 R407 K408G400-N404 WeakPolarHBondContact O-CB 3.24Å; G401-N404 PolarHBondContact O-N 3.37Å; V402-N404 PolarHBondContact O-N 3.27Å; N404-R406 VanDerWaalsContact C-N 3.34Å; N404-R407 PolarHBondContact O-N 3.4Å; N404-K408 PolarHBondContact O-N 3.03Å; N404-K408 WeakPolarHBondContact OD1-CE 3.5Å; N404-K408 PolarHBondContact OD1-NZ 3.28Å
405L94.6Very high92Very high2 Ų256.5 Ų56.51%0.0128%0.28CS..Hα-helixtrans-61.9-44.1176.1-178.457.1000110.8G401 V402 R407 K408 V409 F485 F637 I640 R641 V644G401-L405 PolarHBondContact O-N 3.18Å; V402-L405 PolarHBondContact O-N 3.1Å; L405-R407 VanDerWaalsContact C-N 3.33Å; L405-R407 PolarHBondContact O-N 3.35Å; L405-K408 PolarHBondContact O-N 3Å; L405-K408 VanDerWaalsContact O-N 3.15Å; L405-V409 HydrophobicContact CD1-CG2 3.98Å; L405-V409 HydrophobicContact CG-CG2 4.16Å; L405-V409 WeakPolarHBondContact O-CB 3.42Å; L405-V409 VanDerWaalsContact O-CG2 3.26Å; L405-V409 WeakPolarHBondContact O-CG2 3.27Å; L405-V409 PolarHBondContact O-N 3.34Å; L405-F485 HydrophobicContact CB-CE2 4.33Å; L405-F485 HydrophobicContact CD2-CD2 3.82Å; L405-F485 HydrophobicContact CD2-CE2 3.7Å; L405-F485 HydrophobicContact CG-CD2 4.02Å; L405-F485 HydrophobicContact CG-CE2 3.75Å; L405-F637 HydrophobicContact CB-CE2 3.83Å; L405-F637 HydrophobicContact CB-CZ 4.22Å; L405-F637 HydrophobicContact CD2-CD2 3.58Å; L405-F637 HydrophobicContact CD2-CE2 3.4Å; L405-F637 HydrophobicContact CD2-CG 4.44Å; L405-F637 HydrophobicContact CD2-CZ 4.15Å; L405-F637 HydrophobicContact CG-CE2 4.26Å; L405-I640 HydrophobicContact CD1-CG2 4.42Å; L405-I640 HydrophobicContact CD2-CB 4.47Å; L405-I640 HydrophobicContact CD2-CG2 4.09Å; L405-R641 HydrophobicContact CD1-CB 4.03Å; L405-R641 HydrophobicContact CD1-CG 4.21Å; L405-R641 HydrophobicContact CD2-CB 4.41Å; L405-V644 HydrophobicContact CD1-CB 4.33Å; L405-V644 HydrophobicContact CD1-CG1 4.48Å; L405-V644 HydrophobicContact CD1-CG2 4.18Å
406R94.9Very high92Very high64 Ų6452.1 Ų52.124%0.24226%0.263CS..Hα-helixtrans-51.9-51.9174.3-171.8-167.3-63.4-89.7-8.7110.3V402 E403 N404 K408 V409 H410 F485 E489V402-R406 WeakPolarHBondContact O-CB 3.39Å; V402-R406 PolarHBondContact O-N 2.92Å; E403-R406 VanDerWaalsContact OE2-CD 3.29Å; E403-R406 WeakPolarHBondContact OE2-CD 3.43Å; E403-R406 IonicContact OE2-CZ 3.13Å; E403-R406 IonicContact OE2-NE 3.6Å; E403-R406 PolarHBondContact OE2-NE 3.2Å; N404-R406 VanDerWaalsContact C-N 3.34Å; R406-K408 PolarHBondContact O-N 3.01Å; R406-V409 PolarHBondContact O-N 3.3Å; R406-H410 PolarHBondContact O-N 3.01Å; R406-H410 PolarHBondContact O-ND1 3.33Å; R406-F485 HydrophobicContact CB-CE1 4.22Å; R406-F485 HydrophobicContact CB-CZ 3.93Å; R406-F485 HydrophobicContact CG-CE1 4.24Å; R406-F485 HydrophobicContact CG-CZ 4.39Å; R406-E489 IonicContact CZ-OE1 2.71Å; R406-E489 IonicContact CZ-OE2 2.81Å; R406-E489 IonicContact NE-OE1 3.58Å; R406-E489 IonicContact NH1-OE1 2.9Å; R406-E489 PolarHBondContact NH1-OE1 3.46Å; R406-E489 IonicContact NH1-OE2 2.75Å; R406-E489 PolarHBondContact NH1-OE2 2.94Å; R406-E489 IonicContact NH2-OE1 3.61Å; R406-E489 PolarHBondContact NH2-OE1 3.12Å; R406-E489 VanDerWaalsContact NH2-OE1 3.13Å; R406-E489 IonicContact NH2-OE2 3.8Å
407R95.2Very high92.3Very high157 Ų15754.2 Ų54.259%0.59229%0.285SS*.Hα-helixtrans-59.8-45178.2-73.6-173.9-68.3151-6.4112.9E403 N404 L405 H410 S411E403-R407 WeakPolarHBondContact O-CG 3.28Å; E403-R407 PolarHBondContact O-N 2.99Å; E403-R407 VanDerWaalsContact O-N 3.08Å; N404-R407 PolarHBondContact O-N 3.4Å; L405-R407 VanDerWaalsContact C-N 3.33Å; L405-R407 PolarHBondContact O-N 3.35Å; R407-H410 PolarHBondContact O-N 3.48Å; R407-S411 PolarHBondContact O-N 3.08Å
408K95Very high92.6Very high51 Ų5153.6 Ų53.622%0.22228%0.282CS..Hα-helixtrans-61.9-44.9177.1-73.8179.9174.8171.10112.2N404 L405 R406 H410 S411 L412 V644 E645 L648N404-K408 PolarHBondContact O-N 3.03Å; N404-K408 WeakPolarHBondContact OD1-CE 3.5Å; N404-K408 PolarHBondContact OD1-NZ 3.28Å; L405-K408 PolarHBondContact O-N 3Å; L405-K408 VanDerWaalsContact O-N 3.15Å; R406-K408 PolarHBondContact O-N 3.01Å; K408-H410 VanDerWaalsContact C-N 3.31Å; K408-H410 PolarHBondContact O-N 3.44Å; K408-S411 WeakPolarHBondContact CA-OG 3.34Å; K408-S411 PolarHBondContact O-N 3.49Å; K408-S411 VanDerWaalsContact O-N 3.12Å; K408-S411 PolarHBondContact O-OG 2.92Å; K408-L412 PolarHBondContact O-N 3.34Å; K408-V644 HydrophobicContact CB-CG1 3.67Å; K408-E645 IonicContact NZ-OE1 3.77Å; K408-E645 PolarHBondContact NZ-OE1 2.99Å; K408-L648 HydrophobicContact CB-CD1 4Å; K408-L648 HydrophobicContact CD-CD1 4.27Å; K408-L648 HydrophobicContact CG-CD1 4.04Å
409V95.9Very high92.9Very high2 Ų246.5 Ų46.51%0.01225%0.249CC..Hα-helixtrans-60.7-41.2175.5172.60000111L405 R406 S411 L412 I482 F485 V644L405-V409 HydrophobicContact CD1-CG2 3.98Å; L405-V409 HydrophobicContact CG-CG2 4.16Å; L405-V409 WeakPolarHBondContact O-CB 3.42Å; L405-V409 VanDerWaalsContact O-CG2 3.26Å; L405-V409 WeakPolarHBondContact O-CG2 3.27Å; L405-V409 PolarHBondContact O-N 3.34Å; R406-V409 PolarHBondContact O-N 3.3Å; V409-S411 VanDerWaalsContact C-N 3.31Å; V409-S411 PolarHBondContact O-N 3.49Å; V409-L412 PolarHBondContact O-N 3.49Å; V409-I482 HydrophobicContact CG1-CB 4.24Å; V409-I482 HydrophobicContact CG1-CG1 3.81Å; V409-I482 HydrophobicContact CG1-CG2 4.2Å; V409-F485 HydrophobicContact CB-CD1 4.19Å; V409-F485 HydrophobicContact CG1-CB 4.34Å; V409-F485 HydrophobicContact CG1-CD1 3.83Å; V409-F485 HydrophobicContact CG1-CG 4.25Å; V409-F485 HydrophobicContact CG2-CB 4.25Å; V409-F485 HydrophobicContact CG2-CD1 4.06Å; V409-F485 HydrophobicContact CG2-CD2 4.25Å; V409-F485 HydrophobicContact CG2-CG 3.9Å; V409-V644 HydrophobicContact CG2-CG1 4.48Å; V409-V644 HydrophobicContact CG2-CG2 3.68Å
410H94.2Very high93.3Very high87 Ų8748.8 Ų48.840%0.40326%0.256SS..Hα-helixtrans-65-35.4175.7-76.878.6000112.5R406 R407 K408 L412 K413R406-H410 PolarHBondContact O-N 3.01Å; R406-H410 PolarHBondContact O-ND1 3.33Å; R407-H410 PolarHBondContact O-N 3.48Å; K408-H410 VanDerWaalsContact C-N 3.31Å; K408-H410 PolarHBondContact O-N 3.44Å; H410-L412 VanDerWaalsContact C-N 3.29Å; H410-L412 PolarHBondContact O-N 2.69Å; H410-K413 PolarHBondContact O-N 3.47Å
411S94.4Very high93.7Very high50 Ų5054.1 Ų54.135%0.3527%0.267SS..Hα-helixtrans-70.6-18.3178.270.20000114.7R407 K408 V409 P414 L415R407-S411 PolarHBondContact O-N 3.08Å; K408-S411 WeakPolarHBondContact CA-OG 3.34Å; K408-S411 PolarHBondContact O-N 3.49Å; K408-S411 VanDerWaalsContact O-N 3.12Å; K408-S411 PolarHBondContact O-OG 2.92Å; V409-S411 VanDerWaalsContact C-N 3.31Å; V409-S411 PolarHBondContact O-N 3.49Å; S411-P414 VanDerWaalsContact O-CD 3.29Å; S411-P414 WeakPolarHBondContact O-CD 3.35Å; S411-L415 WeakPolarHBondContact O-CG 3.21Å
412L93.9Very high93.9Very high3 Ų354.8 Ų54.82%0.01627%0.27CS..Hα-helixtrans-69.5-33.2175-75.2177.3000113.1K408 V409 H410 L415 I482 V644 S647 L648K408-L412 PolarHBondContact O-N 3.34Å; V409-L412 PolarHBondContact O-N 3.49Å; H410-L412 VanDerWaalsContact C-N 3.29Å; H410-L412 PolarHBondContact O-N 2.69Å; L412-L415 HydrophobicContact CD2-CD1 3.98Å; L412-L415 PolarHBondContact O-N 2.83Å; L412-I482 HydrophobicContact CB-CD1 4.24Å; L412-V644 HydrophobicContact CD1-CB 4.29Å; L412-V644 HydrophobicContact CD1-CG1 3.96Å; L412-V644 HydrophobicContact CD1-CG2 4.07Å; L412-V644 HydrophobicContact CG-CG1 4.42Å; L412-S647 VanDerWaalsContact CD2-OG 3.29Å; L412-S647 WeakPolarHBondContact CD2-OG 3.4Å; L412-L648 HydrophobicContact CD2-CD2 3.61Å; L412-L648 HydrophobicContact CD2-CG 3.77Å; L412-L648 HydrophobicContact CG-CD2 4.18Å; L412-L648 HydrophobicContact CG-CG 4.38Å
413K90.6Very high94.1Very high102 Ų10254.9 Ų54.944%0.44327%0.27SS..Hα-helixtrans-53.2-46.7-174.2-65.6178.3-174.1168.70114.5H410 I482H410-K413 PolarHBondContact O-N 3.47Å; K413-I482 HydrophobicContact CG-CD1 3.98Å
414P93.6Very high94.3Very high62 Ų6252.7 Ų52.740%0.40327%0.268SS..Hα-helixtrans-77.5-22.6-178.929.6-37.7000114.7S411 A416 G417 E418S411-P414 VanDerWaalsContact O-CD 3.29Å; S411-P414 WeakPolarHBondContact O-CD 3.35Å; P414-A416 PolarHBondContact O-N 3.1Å; P414-G417 PolarHBondContact O-N 3.4Å; P414-G417 VanDerWaalsContact O-N 3.09Å; P414-E418 PolarHBondContact O-N 2.95Å
415L94.7Very high94.5Very high26 Ų2655.8 Ų55.814%0.13628%0.282CS..Hα-helixtrans-61.9-47.8-164.3-63.5174.3000112.9S411 L412 G417 E418 R419 L648 H651S411-L415 WeakPolarHBondContact O-CG 3.21Å; L412-L415 HydrophobicContact CD2-CD1 3.98Å; L412-L415 PolarHBondContact O-N 2.83Å; L415-G417 VanDerWaalsContact C-N 3.29Å; L415-G417 PolarHBondContact O-N 3.11Å; L415-E418 WeakPolarHBondContact O-CB 3.5Å; L415-E418 PolarHBondContact O-N 3.46Å; L415-R419 WeakPolarHBondContact O-CG 3.35Å; L415-R419 PolarHBondContact O-N 2.94Å; L415-R419 PolarHBondContact O-NH1 3.1Å; L415-L648 HydrophobicContact CD1-CD2 3.77Å; L415-H651 HydrophobicContact CB-CB 4.15Å; L415-H651 HydrophobicContact CD1-CB 3.76Å; L415-H651 HydrophobicContact CG-CB 4.44Å
416A92.5Very high94.5Very high13 Ų1355.7 Ų55.711%0.10728%0.281CS..Hα-helixtrans-59.8-41.7177.300000111.7P414 E418 R419 F420 V471P414-A416 PolarHBondContact O-N 3.1Å; A416-E418 PolarHBondContact O-N 3.14Å; A416-R419 PolarHBondContact O-N 3.48Å; A416-F420 HydrophobicContact CB-CE2 4.28Å; A416-F420 WeakPolarHBondContact O-CD2 3.39Å; A416-F420 WeakPolarHBondContact O-CG 3.34Å; A416-F420 PolarHBondContact O-N 2.89Å; A416-V471 HydrophobicContact CB-CG1 4.24Å
417G93.6Very high94.5Very high46 Ų4655.4 Ų55.447%0.47428%0.283SS..Hα-helixtrans-63-41.1177.600000112.8P414 L415 K421P414-G417 PolarHBondContact O-N 3.4Å; P414-G417 VanDerWaalsContact O-N 3.09Å; L415-G417 VanDerWaalsContact C-N 3.29Å; L415-G417 PolarHBondContact O-N 3.11Å; G417-K421 WeakPolarHBondContact O-CB 3.47Å; G417-K421 PolarHBondContact O-N 3.25Å
418E94.4Very high94.6Very high90 Ų9051.1 Ų51.142%0.42127%0.269SS..Hα-helixtrans-62.6-43.1173.1-71.8170.7-171.600111.8P414 L415 A416 K421 T422P414-E418 PolarHBondContact O-N 2.95Å; L415-E418 WeakPolarHBondContact O-CB 3.5Å; L415-E418 PolarHBondContact O-N 3.46Å; A416-E418 PolarHBondContact O-N 3.14Å; E418-K421 WeakPolarHBondContact O-CB 3.42Å; E418-K421 PolarHBondContact O-N 3.38Å; E418-T422 PolarHBondContact O-N 2.99Å; E418-T422 VanDerWaalsContact O-N 3.08Å; E418-T422 PolarHBondContact O-OG1 2.86Å
419R93.4Very high94.6Very high9 Ų950.4 Ų50.43%0.03427%0.267CS..Hα-helixtrans-67-41.8178.3-56.9-40169.5-100.313.7111.8L415 A416 K421 T422 L423 V471 H651 E655L415-R419 WeakPolarHBondContact O-CG 3.35Å; L415-R419 PolarHBondContact O-N 2.94Å; L415-R419 PolarHBondContact O-NH1 3.1Å; A416-R419 PolarHBondContact O-N 3.48Å; R419-K421 PolarHBondContact O-N 2.64Å; R419-T422 PolarHBondContact O-N 3.38Å; R419-L423 WeakPolarHBondContact O-CG 3.29Å; R419-L423 PolarHBondContact O-N 3.17Å; R419-V471 HydrophobicContact CB-CG1 4.18Å; R419-V471 HydrophobicContact CB-CG2 4.18Å; R419-H651 PolarHBondContact NE-O 3.4Å; R419-E655 IonicContact CZ-OE2 3.71Å; R419-E655 IonicContact NH2-OE1 3.99Å; R419-E655 IonicContact NH2-OE2 3.74Å; R419-E655 PolarHBondContact NH2-OE2 2.99Å
420F95.7Very high94.5Very high71 Ų7150.4 Ų50.431%0.31127%0.267SS..Hα-helixtrans-60.8-34.9173-72.4-53.7000112.4A416 L423 A424 R468 V471 Q472A416-F420 HydrophobicContact CB-CE2 4.28Å; A416-F420 WeakPolarHBondContact O-CD2 3.39Å; A416-F420 WeakPolarHBondContact O-CG 3.34Å; A416-F420 PolarHBondContact O-N 2.89Å; F420-L423 PolarHBondContact O-N 3Å; F420-A424 WeakPolarHBondContact O-CB 3.47Å; F420-A424 PolarHBondContact O-N 3.13Å; F420-R468 HydrophobicContact CD1-CG 4.3Å; F420-R468 HydrophobicContact CE1-CG 3.95Å; F420-V471 HydrophobicContact CD1-CG1 4.26Å; F420-V471 HydrophobicContact CD2-CG1 4.26Å; F420-V471 HydrophobicContact CE1-CB 4.04Å; F420-V471 HydrophobicContact CE1-CG1 3.83Å; F420-V471 HydrophobicContact CE2-CG1 3.84Å; F420-V471 HydrophobicContact CG-CG1 4.45Å; F420-V471 HydrophobicContact CZ-CB 4.13Å; F420-V471 HydrophobicContact CZ-CG1 3.61Å; F420-Q472 HydrophobicContact CZ-CB 4.21Å
421K95.7Very high94.5Very high155 Ų15552.5 Ų52.567%0.67427%0.271SS*.Hα-helixtrans-63.7-45.4174.6-172.3-173.6176-169.90111.8G417 E418 R419 A424 E425G417-K421 WeakPolarHBondContact O-CB 3.47Å; G417-K421 PolarHBondContact O-N 3.25Å; E418-K421 WeakPolarHBondContact O-CB 3.42Å; E418-K421 PolarHBondContact O-N 3.38Å; R419-K421 PolarHBondContact O-N 2.64Å; K421-A424 PolarHBondContact O-N 2.96Å; K421-E425 PolarHBondContact O-N 2.67Å
422T94.8Very high94.4Very high23 Ų2355.6 Ų55.614%0.14128%0.279CS..Hα-helixtrans-61.3-43.3175.6-52.80000111.6E418 R419 A424 E425 I426 C658 L662E418-T422 PolarHBondContact O-N 2.99Å; E418-T422 VanDerWaalsContact O-N 3.08Å; E418-T422 PolarHBondContact O-OG1 2.86Å; R419-T422 PolarHBondContact O-N 3.38Å; T422-A424 PolarHBondContact O-N 3.2Å; T422-E425 WeakPolarHBondContact O-CB 3.4Å; T422-E425 PolarHBondContact O-N 3.46Å; T422-I426 WeakPolarHBondContact O-CG1 3.4Å; T422-I426 PolarHBondContact O-N 3.43Å; T422-I426 VanDerWaalsContact O-N 3.1Å; T422-C658 HydrophobicContact CG2-CB 3.9Å; T422-L662 HydrophobicContact CG2-CB 4.42Å; T422-L662 HydrophobicContact CG2-CD2 4.23Å
423L95.5Very high94.4Very high2 Ų255.6 Ų55.61%0.0128%0.279CS..Hα-helixtrans-64.2-40.5177.3-63.6176.1000112.2R419 F420 E425 I426 E427 V464 I467 R468R419-L423 WeakPolarHBondContact O-CG 3.29Å; R419-L423 PolarHBondContact O-N 3.17Å; F420-L423 PolarHBondContact O-N 3Å; L423-E425 VanDerWaalsContact C-N 3.27Å; L423-E425 PolarHBondContact O-N 3.38Å; L423-I426 HydrophobicContact CD2-CD1 4.29Å; L423-I426 WeakPolarHBondContact O-CB 3.47Å; L423-I426 PolarHBondContact O-N 2.88Å; L423-E427 WeakPolarHBondContact O-CG 3.48Å; L423-E427 PolarHBondContact O-N 3.41Å; L423-V464 HydrophobicContact CB-CG1 4.39Å; L423-V464 HydrophobicContact CD2-CG1 4.26Å; L423-I467 HydrophobicContact CD1-CG2 4.03Å; L423-I467 HydrophobicContact CD2-CB 4.2Å; L423-I467 HydrophobicContact CD2-CG2 3.84Å; L423-I467 HydrophobicContact CG-CG2 4.49Å; L423-R468 HydrophobicContact CD1-CB 3.91Å; L423-R468 HydrophobicContact CD1-CG 4.47Å
424A95.7Very high94.5Very high51 Ų5152.1 Ų52.142%0.42126%0.264SS..Hα-helixtrans-63.3-34.2175.600000112.3F420 K421 T422 E428F420-A424 WeakPolarHBondContact O-CB 3.47Å; F420-A424 PolarHBondContact O-N 3.13Å; K421-A424 PolarHBondContact O-N 2.96Å; T422-A424 PolarHBondContact O-N 3.2Å; A424-E428 WeakPolarHBondContact O-CB 3.21Å; A424-E428 PolarHBondContact O-N 2.83Å
425E95.9Very high94.4Very high105 Ų10552 Ų5249%0.49127%0.265SS..Hα-helixtrans-65-42.3173.3-174.8170.9-174.900111.9K421 T422 L423 E428 M429 L662K421-E425 PolarHBondContact O-N 2.67Å; T422-E425 WeakPolarHBondContact O-CB 3.4Å; T422-E425 PolarHBondContact O-N 3.46Å; L423-E425 VanDerWaalsContact C-N 3.27Å; L423-E425 PolarHBondContact O-N 3.38Å; E425-E428 PolarHBondContact O-N 3.38Å; E425-M429 WeakPolarHBondContact O-CG 3.42Å; E425-M429 PolarHBondContact O-N 3.4Å; E425-L662 HydrophobicContact CB-CD1 4.42Å; E425-L662 HydrophobicContact CG-CD1 4.04Å
426I95.8Very high94.1Very high0 Ų055.2 Ų55.20%028%0.282CS..Hα-helixtrans-60.4-49.4173.7-63.2170.9000111.1T422 L423 E428 M429 L430 V464 E661 L662 V665T422-I426 WeakPolarHBondContact O-CG1 3.4Å; T422-I426 PolarHBondContact O-N 3.43Å; T422-I426 VanDerWaalsContact O-N 3.1Å; L423-I426 HydrophobicContact CD2-CD1 4.29Å; L423-I426 WeakPolarHBondContact O-CB 3.47Å; L423-I426 PolarHBondContact O-N 2.88Å; I426-E428 VanDerWaalsContact C-N 3.28Å; I426-E428 PolarHBondContact O-N 2.98Å; I426-M429 PolarHBondContact O-N 3.06Å; I426-L430 HydrophobicContact CG2-CD1 4.21Å; I426-L430 WeakPolarHBondContact O-CG 3.43Å; I426-L430 PolarHBondContact O-N 2.99Å; I426-V464 HydrophobicContact CB-CG2 4.4Å; I426-V464 HydrophobicContact CG2-CG2 3.67Å; I426-E661 HydrophobicContact CD1-CB 4.05Å; I426-E661 HydrophobicContact CD1-CG 4.08Å; I426-L662 HydrophobicContact CD1-CB 4.05Å; I426-L662 HydrophobicContact CD1-CD1 4.45Å; I426-L662 HydrophobicContact CG1-CB 3.99Å; I426-L662 HydrophobicContact CG1-CD1 3.54Å; I426-L662 HydrophobicContact CG1-CG 4.4Å; I426-V665 HydrophobicContact CG2-CB 4.16Å; I426-V665 HydrophobicContact CG2-CG1 4.17Å; I426-V665 HydrophobicContact CG2-CG2 3.77Å
427E95.1Very high94Very high59 Ų5954.6 Ų54.628%0.27628%0.277SS..Hα-helixtrans-59.3-40.4179.7-71.6177.7176.500111.6L423 L430 R431 V464 R468L423-E427 WeakPolarHBondContact O-CG 3.48Å; L423-E427 PolarHBondContact O-N 3.41Å; E427-L430 PolarHBondContact O-N 3.35Å; E427-R431 WeakPolarHBondContact O-CB 3.48Å; E427-R431 PolarHBondContact O-N 3.17Å; E427-V464 HydrophobicContact CG-CG1 3.89Å; E427-R468 IonicContact OE1-CZ 3.76Å; E427-R468 IonicContact OE1-NH1 3.64Å; E427-R468 PolarHBondContact OE1-NH1 2.96Å
428E95.3Very high93.8Very high66 Ų6656 Ų5631%0.30827%0.273SS..Hα-helixtrans-68.2-38.2177.6179.959-168.100112.4A424 E425 I426 R431 K432A424-E428 WeakPolarHBondContact O-CB 3.21Å; A424-E428 PolarHBondContact O-N 2.83Å; E425-E428 PolarHBondContact O-N 3.38Å; I426-E428 VanDerWaalsContact C-N 3.28Å; I426-E428 PolarHBondContact O-N 2.98Å; E428-R431 VanDerWaalsContact CD-NH2 3.31Å; E428-R431 PolarHBondContact O-N 3.5Å; E428-R431 IonicContact OE1-CZ 2.92Å; E428-R431 IonicContact OE1-NE 2.88Å; E428-R431 IonicContact OE1-NH2 3.99Å; E428-R431 PolarHBondContact OE1-NH2 2.96Å; E428-R431 IonicContact OE2-CZ 3.74Å; E428-R431 VanDerWaalsContact OE2-CZ 3.32Å; E428-R431 IonicContact OE2-NE 3.98Å; E428-R431 PolarHBondContact OE2-NE 2.99Å; E428-R431 IonicContact OE2-NH2 2.75Å; E428-R431 PolarHBondContact OE2-NH2 3.4Å; E428-R431 VanDerWaalsContact OE2-NH2 3.08Å; E428-K432 WeakPolarHBondContact O-CG 3.46Å; E428-K432 PolarHBondContact O-N 3.4Å; E428-K432 WeakPolarHBondContact OE1-CE 3.4Å
429M95.2Very high93.4Very high37 Ų3754.9 Ų54.918%0.18228%0.279CS..Hα-helixtrans-62.1-47.2173.6-75.3-165.3-62.700111.9E425 I426 R431 K432 E433 L662 V665 N666E425-M429 WeakPolarHBondContact O-CG 3.42Å; E425-M429 PolarHBondContact O-N 3.4Å; I426-M429 PolarHBondContact O-N 3.06Å; M429-R431 VanDerWaalsContact C-N 3.31Å; M429-R431 PolarHBondContact O-N 3.21Å; M429-K432 PolarHBondContact O-N 3.31Å; M429-E433 PolarHBondContact O-N 2.88Å; M429-L662 HydrophobicContact CE-CD1 3.32Å; M429-L662 HydrophobicContact CE-CG 4.24Å; M429-V665 HydrophobicContact CB-CG1 4.14Å; M429-V665 HydrophobicContact CE-CB 4.31Å; M429-V665 HydrophobicContact CE-CG1 3.93Å; M429-N666 HydrophobicContact CE-CB 4.44Å; M429-N666 HydrophobicContact SD-CB 4.34Å
430L94.7Very high93.1Very high1 Ų155.2 Ų55.21%0.00528%0.281CS..Hα-helixtrans-61.5-40.4177.6-68.2171.9000111.7I426 E427 E433 E434 N457 F460 R461 V665I426-L430 HydrophobicContact CG2-CD1 4.21Å; I426-L430 WeakPolarHBondContact O-CG 3.43Å; I426-L430 PolarHBondContact O-N 2.99Å; E427-L430 PolarHBondContact O-N 3.35Å; L430-E433 PolarHBondContact O-N 3.35Å; L430-E434 WeakPolarHBondContact O-CB 3.42Å; L430-E434 PolarHBondContact O-N 3.41Å; L430-N457 HydrophobicContact CD2-CB 4.35Å; L430-N457 PolarHBondContact O-ND2 2.96Å; L430-F460 HydrophobicContact CD1-CB 3.76Å; L430-F460 HydrophobicContact CD2-CB 4.2Å; L430-F460 HydrophobicContact CD2-CD2 4.12Å; L430-F460 HydrophobicContact CD2-CG 4.37Å; L430-R461 HydrophobicContact CD1-CG 4.29Å; L430-V665 HydrophobicContact CD2-CG1 3.6Å; L430-V665 HydrophobicContact CD2-CG2 4.23Å; L430-V665 HydrophobicContact CG-CG1 3.77Å
431R93.8Very high92.6Very high131 Ų13155.4 Ų55.449%0.49428%0.279SS..Hα-helixtrans-64-41.7177.2-171.3-173.272.999.31.6112.2E427 E428 M429 S435E427-R431 WeakPolarHBondContact O-CB 3.48Å; E427-R431 PolarHBondContact O-N 3.17Å; E428-R431 VanDerWaalsContact CD-NH2 3.31Å; E428-R431 PolarHBondContact O-N 3.5Å; E428-R431 IonicContact OE1-CZ 2.92Å; E428-R431 IonicContact OE1-NE 2.88Å; E428-R431 IonicContact OE1-NH2 3.99Å; E428-R431 PolarHBondContact OE1-NH2 2.96Å; E428-R431 IonicContact OE2-CZ 3.74Å; E428-R431 VanDerWaalsContact OE2-CZ 3.32Å; E428-R431 IonicContact OE2-NE 3.98Å; E428-R431 PolarHBondContact OE2-NE 2.99Å; E428-R431 IonicContact OE2-NH2 2.75Å; E428-R431 PolarHBondContact OE2-NH2 3.4Å; E428-R431 VanDerWaalsContact OE2-NH2 3.08Å; M429-R431 VanDerWaalsContact C-N 3.31Å; M429-R431 PolarHBondContact O-N 3.21Å; R431-S435 WeakPolarHBondContact O-CB 3.34Å; R431-S435 PolarHBondContact O-N 2.99Å; R431-S435 PolarHBondContact O-OG 2.93Å
432K93.4Very high92.1Very high115 Ų11552.9 Ų52.950%0.528%0.277SS..Hα-helixtrans-64.2-46.5176.7-77177.6-179.1173.20111.4E428 M429 S435 N436E428-K432 WeakPolarHBondContact O-CG 3.46Å; E428-K432 PolarHBondContact O-N 3.4Å; E428-K432 WeakPolarHBondContact OE1-CE 3.4Å; M429-K432 PolarHBondContact O-N 3.31Å; K432-S435 WeakPolarHBondContact O-CB 3.29Å; K432-S435 PolarHBondContact O-N 3.45Å; K432-N436 VanDerWaalsContact O-CG 3.29Å; K432-N436 PolarHBondContact O-N 3.25Å
433E93.4Very high91.4Very high4 Ų454.7 Ų54.72%0.01930%0.3CS..Hα-helixtrans-63.1-43.5177.7166.342.5-157.100112M429 L430 S435 N436 D437 S453 F668 R672M429-E433 PolarHBondContact O-N 2.88Å; L430-E433 PolarHBondContact O-N 3.35Å; E433-S435 VanDerWaalsContact C-N 3.28Å; E433-S435 PolarHBondContact O-N 2.93Å; E433-N436 WeakPolarHBondContact O-CB 3.38Å; E433-N436 PolarHBondContact O-N 3.07Å; E433-N436 VanDerWaalsContact O-N 3.12Å; E433-D437 PolarHBondContact O-N 2.95Å; E433-S453 PolarHBondContact OE1-OG 3.02Å; E433-F668 HydrophobicContact CG-CE1 4.39Å; E433-R672 HydrophobicContact CG-CB 4.36Å; E433-R672 WeakPolarHBondContact OE1-CB 3.39Å; E433-R672 IonicContact OE1-NE 3.02Å; E433-R672 PolarHBondContact OE1-NE 3.26Å
434E91.6Very high90.6Very high29 Ų2958.1 Ų58.114%0.13631%0.313CS..Hα-helixtrans-60.4-39.4176-168.7176.5161.700112.5L430 D437 I438 E454 R461L430-E434 WeakPolarHBondContact O-CB 3.42Å; L430-E434 PolarHBondContact O-N 3.41Å; E434-D437 PolarHBondContact O-N 3.21Å; E434-I438 HydrophobicContact CG-CD1 4.18Å; E434-I438 WeakPolarHBondContact O-CD1 3.49Å; E434-I438 VanDerWaalsContact O-CG1 3.23Å; E434-I438 WeakPolarHBondContact O-CG1 3.33Å; E434-I438 PolarHBondContact O-N 3.24Å; E434-E454 HydrophobicContact CG-CB 4.36Å; E434-E454 WeakPolarHBondContact OE1-CB 3.34Å; E434-E454 WeakPolarHBondContact OE1-CG 3.48Å; E434-R461 IonicContact OE2-CZ 3.77Å; E434-R461 IonicContact OE2-NE 2.72Å; E434-R461 IonicContact OE2-NH2 3.08Å; E434-R461 PolarHBondContact OE2-NH2 3.41Å
435S91.8Very high89.2Confident60 Ų6060.3 Ų60.342%0.4232%0.322SS..Hα-helixtrans-63.9-40.5175.1-57.30000111.9R431 K432 E433 A439R431-S435 WeakPolarHBondContact O-CB 3.34Å; R431-S435 PolarHBondContact O-N 2.99Å; R431-S435 PolarHBondContact O-OG 2.93Å; K432-S435 WeakPolarHBondContact O-CB 3.29Å; K432-S435 PolarHBondContact O-N 3.45Å; E433-S435 VanDerWaalsContact C-N 3.28Å; E433-S435 PolarHBondContact O-N 2.93Å; S435-A439 WeakPolarHBondContact O-CB 3.41Å; S435-A439 PolarHBondContact O-N 2.98Å; S435-A439 VanDerWaalsContact O-N 3.07Å
436N90Very high87.7Confident92 Ų9263 Ų6349%0.49234%0.339SS..Hα-helixtrans-66.1-43.7176.6-68.8-17.6000111.7K432 E433 A439 F440K432-N436 VanDerWaalsContact O-CG 3.29Å; K432-N436 PolarHBondContact O-N 3.25Å; E433-N436 WeakPolarHBondContact O-CB 3.38Å; E433-N436 PolarHBondContact O-N 3.07Å; E433-N436 VanDerWaalsContact O-N 3.12Å; N436-A439 PolarHBondContact O-N 2.68Å; N436-F440 PolarHBondContact O-N 2.85Å
437D89.6Confident86.2Confident0 Ų068.1 Ų68.10%037%0.366CS..Hα-helixtrans-63.3-42.2176.7177.368.8000112.4E433 E434 A439 F440 R441 R450 S453 R672E433-D437 PolarHBondContact O-N 2.95Å; E434-D437 PolarHBondContact O-N 3.21Å; D437-A439 VanDerWaalsContact C-N 3.35Å; D437-F440 PolarHBondContact O-N 3.32Å; D437-R441 WeakPolarHBondContact O-CB 3.44Å; D437-R441 WeakPolarHBondContact O-CG 3.48Å; D437-R441 PolarHBondContact O-N 3.01Å; D437-R441 IonicContact OD1-NE 2.82Å; D437-R441 IonicContact OD2-CZ 3.32Å; D437-R441 IonicContact OD2-NE 2.74Å; D437-R441 PolarHBondContact OD2-NE 3.19Å; D437-R441 IonicContact OD2-NH2 3.95Å; D437-R441 PolarHBondContact OD2-NH2 3.43Å; D437-R450 IonicContact OD1-CZ 2.94Å; D437-R450 IonicContact OD1-NE 3.77Å; D437-R450 IonicContact OD1-NH1 3.83Å; D437-R450 PolarHBondContact OD1-NH1 3.39Å; D437-S453 WeakPolarHBondContact CB-OG 3.16Å; D437-S453 VanDerWaalsContact CG-OG 3.31Å; D437-S453 PolarHBondContact OD2-N 2.87Å; D437-R672 IonicContact OD1-NH2 3.87Å; D437-R672 PolarHBondContact OD1-NH2 3Å; D437-R672 VanDerWaalsContact OD1-NH2 3.13Å
438I88.5Confident85.1Confident76 Ų7667 Ų6739%0.3936%0.362SS..Hα-helixtrans-61.1-45.4175.1-70.3164.7000110.5E434 F440 R441 T442E434-I438 HydrophobicContact CG-CD1 4.18Å; E434-I438 WeakPolarHBondContact O-CD1 3.49Å; E434-I438 VanDerWaalsContact O-CG1 3.23Å; E434-I438 WeakPolarHBondContact O-CG1 3.33Å; E434-I438 PolarHBondContact O-N 3.24Å; I438-F440 PolarHBondContact O-N 3.41Å; I438-R441 PolarHBondContact O-N 3.22Å; I438-T442 WeakPolarHBondContact O-CB 3.42Å; I438-T442 PolarHBondContact O-N 3.48Å; I438-T442 PolarHBondContact O-OG1 2.97Å
439A87.5Confident84Confident67 Ų6770.3 Ų70.355%0.55439%0.39SS*.Hα-helixtrans-60.3-45.6177.400000111.5S435 N436 D437 T442 G443S435-A439 WeakPolarHBondContact O-CB 3.41Å; S435-A439 PolarHBondContact O-N 2.98Å; S435-A439 VanDerWaalsContact O-N 3.07Å; N436-A439 PolarHBondContact O-N 2.68Å; D437-A439 VanDerWaalsContact C-N 3.35Å; A439-T442 PolarHBondContact O-N 3.39Å; A439-G443 PolarHBondContact O-N 3Å; A439-G443 VanDerWaalsContact O-N 3.17Å
440F86.5Confident83.5Confident16 Ų1669.5 Ų69.57%0.0739%0.385CS..Hα-helixtrans-60.4-51.6175.9175.5-98.8000112.1N436 D437 I438 T442 G443 Y444 L448 I676 L679 I680N436-F440 PolarHBondContact O-N 2.85Å; D437-F440 PolarHBondContact O-N 3.32Å; I438-F440 PolarHBondContact O-N 3.41Å; F440-T442 VanDerWaalsContact C-N 3.27Å; F440-T442 PolarHBondContact O-N 2.92Å; F440-G443 PolarHBondContact O-N 2.91Å; F440-Y444 AromaticContact CD2-CD2 3.54Å; F440-Y444 HydrophobicContact CD2-CD2 3.54Å; F440-Y444 AromaticContact CD2-CE2 3.79Å; F440-Y444 HydrophobicContact CD2-CE2 3.79Å; F440-Y444 AromaticContact CE2-CD2 3.39Å; F440-Y444 HydrophobicContact CE2-CD2 3.39Å; F440-Y444 AromaticContact CE2-CE2 3.66Å; F440-Y444 HydrophobicContact CE2-CE2 3.66Å; F440-Y444 HydrophobicContact CE2-CG 4.12Å; F440-Y444 HydrophobicContact CG-CD2 4.25Å; F440-Y444 HydrophobicContact CZ-CD2 4.01Å; F440-Y444 HydrophobicContact CZ-CG 4.34Å; F440-Y444 WeakPolarHBondContact O-CD2 3.34Å; F440-Y444 PolarHBondContact O-N 3.28Å; F440-L448 HydrophobicContact CE2-CD1 4.46Å; F440-L448 HydrophobicContact CZ-CB 4.39Å; F440-L448 HydrophobicContact CZ-CD1 3.8Å; F440-I676 HydrophobicContact CB-CD1 4.34Å; F440-I676 HydrophobicContact CD1-CG1 4.47Å; F440-I676 HydrophobicContact CD2-CG1 4.42Å; F440-I676 HydrophobicContact CD2-CG2 3.7Å; F440-I676 HydrophobicContact CE2-CG2 3.87Å; F440-I676 HydrophobicContact CG-CD1 4.42Å; F440-I676 HydrophobicContact CG-CG1 4.28Å; F440-I676 HydrophobicContact CG-CG2 4.35Å; F440-L679 HydrophobicContact CZ-CB 4.44Å; F440-L679 HydrophobicContact CZ-CD1 4.47Å; F440-I680 HydrophobicContact CD2-CD1 4.44Å; F440-I680 HydrophobicContact CE2-CD1 4.05Å; F440-I680 HydrophobicContact CE2-CG1 3.82Å
441R85.2Confident83Confident75 Ų7574.1 Ų74.128%0.28341%0.407SS..Hα-helixtrans-64.8-29.6-179.7-72.4-171.3-67.7119.90.5113.2D437 I438 G443 T445 R450D437-R441 WeakPolarHBondContact O-CB 3.44Å; D437-R441 WeakPolarHBondContact O-CG 3.48Å; D437-R441 PolarHBondContact O-N 3.01Å; D437-R441 IonicContact OD1-NE 2.82Å; D437-R441 IonicContact OD2-CZ 3.32Å; D437-R441 IonicContact OD2-NE 2.74Å; D437-R441 PolarHBondContact OD2-NE 3.19Å; D437-R441 IonicContact OD2-NH2 3.95Å; D437-R441 PolarHBondContact OD2-NH2 3.43Å; I438-R441 PolarHBondContact O-N 3.22Å; R441-G443 VanDerWaalsContact C-N 3.35Å; R441-T445 WeakPolarHBondContact O-CA 3.19Å; R441-T445 WeakPolarHBondContact O-CB 3.4Å; R441-T445 PolarHBondContact O-N 3.44Å; R441-T445 VanDerWaalsContact O-N 3.1Å; R441-T445 PolarHBondContact O-OG1 2.93Å; R441-R450 HydrophobicContact CG-CG 4.42Å
442T84.3Confident82.8Confident102 Ų10270 Ų7063%0.62640%0.397SS*.Hα-helixtrans-69.1-34.2173.4-54.30000111.6I438 A439 F440 T445I438-T442 WeakPolarHBondContact O-CB 3.42Å; I438-T442 PolarHBondContact O-N 3.48Å; I438-T442 PolarHBondContact O-OG1 2.97Å; A439-T442 PolarHBondContact O-N 3.39Å; F440-T442 VanDerWaalsContact C-N 3.27Å; F440-T442 PolarHBondContact O-N 2.92Å; T442-T445 PolarHBondContact O-OG1 3.01Å
443G80Confident82.6Confident60 Ų6064.6 Ų64.662%0.61937%0.373SS*.Hα-helixtrans-75.4-35.8175.700000114.2A439 F440 R441A439-G443 PolarHBondContact O-N 3Å; A439-G443 VanDerWaalsContact O-N 3.17Å; F440-G443 PolarHBondContact O-N 2.91Å; R441-G443 VanDerWaalsContact C-N 3.35Å
444Y78.8Confident82.5Confident74 Ų7470.4 Ų70.429%0.2940%0.4SS..SBendtrans-115.921.9-169.9-65.5-82.7000114.5F440 N446 I447 L448F440-Y444 AromaticContact CD2-CD2 3.54Å; F440-Y444 HydrophobicContact CD2-CD2 3.54Å; F440-Y444 AromaticContact CD2-CE2 3.79Å; F440-Y444 HydrophobicContact CD2-CE2 3.79Å; F440-Y444 AromaticContact CE2-CD2 3.39Å; F440-Y444 HydrophobicContact CE2-CD2 3.39Å; F440-Y444 AromaticContact CE2-CE2 3.66Å; F440-Y444 HydrophobicContact CE2-CE2 3.66Å; F440-Y444 HydrophobicContact CE2-CG 4.12Å; F440-Y444 HydrophobicContact CG-CD2 4.25Å; F440-Y444 HydrophobicContact CZ-CD2 4.01Å; F440-Y444 HydrophobicContact CZ-CG 4.34Å; F440-Y444 WeakPolarHBondContact O-CD2 3.34Å; F440-Y444 PolarHBondContact O-N 3.28Å; Y444-N446 PolarHBondContact O-N 3.18Å; Y444-I447 PolarHBondContact O-N 3.41Å; Y444-L448 HydrophobicContact CD1-CD1 4.1Å; Y444-L448 HydrophobicContact CG-CD1 4.26Å; Y444-L448 PolarHBondContact O-N 3.45Å
445T66.1Low82.4Confident98 Ų9875.1 Ų75.160%0.60142%0.421SS*.THydrogen-bonded Turntrans-50.4-26.7-164.3-39.90000115.9R441 T442R441-T445 WeakPolarHBondContact O-CA 3.19Å; R441-T445 WeakPolarHBondContact O-CB 3.4Å; R441-T445 PolarHBondContact O-N 3.44Å; R441-T445 VanDerWaalsContact O-N 3.1Å; R441-T445 PolarHBondContact O-OG1 2.93Å; T442-T445 PolarHBondContact O-OG1 3.01Å
446N65.3Low82.3Confident161 Ų16174.8 Ų74.886%0.86141%0.414SS*.THydrogen-bonded Turntrans-110.8-4.5-176.5-64.4-20.5000114.6Y444Y444-N446 PolarHBondContact O-N 3.18Å
447I64.7Low82.4Confident108 Ų10870.4 Ų70.455%0.55439%0.39SS*.THydrogen-bonded Turntrans-111.8-40.4-169.2-54.4173.2000111.8Y444 N683Y444-I447 PolarHBondContact O-N 3.41Å; I447-N683 VanDerWaalsContact CG2-OD1 3.27Å; I447-N683 WeakPolarHBondContact CG2-OD1 3.43Å
448L70.8Confident82.5Confident36 Ų3672.9 Ų72.919%0.18841%0.408CS..  trans-124.5124.5-173.3-65.8165.7000110.5F440 Y444 L679 N683F440-L448 HydrophobicContact CE2-CD1 4.46Å; F440-L448 HydrophobicContact CZ-CB 4.39Å; F440-L448 HydrophobicContact CZ-CD1 3.8Å; Y444-L448 HydrophobicContact CD1-CD1 4.1Å; Y444-L448 HydrophobicContact CG-CD1 4.26Å; Y444-L448 PolarHBondContact O-N 3.45Å; L448-L679 HydrophobicContact CD1-CB 4.15Å; L448-L679 HydrophobicContact CD2-CB 4.33Å; L448-L679 HydrophobicContact CD2-CD2 4.28Å; L448-N683 HydrophobicContact CD1-CB 4.19Å; L448-N683 HydrophobicContact CD2-CB 4.27Å
449C73.8Confident82.6Confident134 Ų13473.4 Ų73.491%0.90542%0.417SS*.  trans-103.2114.3-179.9-168.50000110.2
450R83Confident82.9Confident21 Ų2172.1 Ų72.18%0.07940%0.399CS..  trans-133.4153.7171.275.3-174.6-58.2-145.119.7110.7D437 R441 R672 E675 L679D437-R450 IonicContact OD1-CZ 2.94Å; D437-R450 IonicContact OD1-NE 3.77Å; D437-R450 IonicContact OD1-NH1 3.83Å; D437-R450 PolarHBondContact OD1-NH1 3.39Å; R441-R450 HydrophobicContact CG-CG 4.42Å; R450-R672 VanDerWaalsContact CZ-NH1 3.28Å; R450-R672 VanDerWaalsContact NH2-NE 3.16Å; R450-R672 PolarHBondContact NH2-O 2.95Å; R450-E675 IonicContact CZ-OE1 3.72Å; R450-E675 IonicContact CZ-OE2 2.71Å; R450-E675 IonicContact NE-OE1 3.93Å; R450-E675 PolarHBondContact NE-OE1 2.99Å; R450-E675 IonicContact NE-OE2 3.33Å; R450-E675 IonicContact NH2-OE1 2.73Å; R450-E675 IonicContact NH2-OE2 3.41Å; R450-E675 PolarHBondContact NH2-OE2 3.49Å; R450-L679 HydrophobicContact CB-CD1 4.36Å
451E85.1Confident83.3Confident98 Ų9875.4 Ų75.446%0.45841%0.411SS..  trans-65.9136.7175.7-71.2-160.8113.400111S453 K455 L456 R672E451-S453 PolarHBondContact O-N 3.49Å; E451-K455 IonicContact OE1-NZ 3.54Å; E451-K455 PolarHBondContact OE1-NZ 2.84Å; E451-L456 HydrophobicContact CB-CD1 4.4Å; E451-R672 PolarHBondContact O-NH2 3.27Å
452P88.6Confident83.7Confident45 Ų4576.9 Ų76.929%0.29242%0.421SS..  trans-60.4133.4177.9-24.534.3000112.3E454 K455 L456P452-E454 PolarHBondContact O-N 3.45Å; P452-K455 PolarHBondContact O-N 3.35Å; P452-L456 PolarHBondContact O-N 3.14Å
453S90.8Very high84.1Confident0 Ų076.2 Ų76.20%041%0.409CS..Hα-helixtrans-59.4-32.1177.6-66.20000111.8E433 D437 E451 K455 L456 N457 R672E433-S453 PolarHBondContact OE1-OG 3.02Å; D437-S453 WeakPolarHBondContact CB-OG 3.16Å; D437-S453 VanDerWaalsContact CG-OG 3.31Å; D437-S453 PolarHBondContact OD2-N 2.87Å; E451-S453 PolarHBondContact O-N 3.49Å; S453-K455 VanDerWaalsContact C-N 3.28Å; S453-K455 PolarHBondContact O-N 3.11Å; S453-L456 PolarHBondContact O-N 3.44Å; S453-L456 VanDerWaalsContact O-N 3.16Å; S453-N457 WeakPolarHBondContact O-CB 3.12Å; S453-N457 PolarHBondContact O-N 3.34Å; S453-N457 PolarHBondContact O-ND2 3.21Å; S453-N457 PolarHBondContact O-OD1 3.21Å; S453-R672 PolarHBondContact OG-NE 3.48Å; S453-R672 PolarHBondContact OG-NH2 2.9Å
454E89.5Confident84.8Confident126 Ų12673.4 Ų73.459%0.58938%0.38SS*.Hα-helixtrans-52.8-43.3174.2-174.9-179.4-176.900112.7E434 P452 S458E434-E454 HydrophobicContact CG-CB 4.36Å; E434-E454 WeakPolarHBondContact OE1-CB 3.34Å; E434-E454 WeakPolarHBondContact OE1-CG 3.48Å; P452-E454 PolarHBondContact O-N 3.45Å; E454-S458 PolarHBondContact O-N 3.43Å
455K90Very high85.6Confident129 Ų12972.8 Ų72.856%0.56138%0.382SS*.Hα-helixtrans-71.1-38.7179.6-176.4-172.2170.4-1600111.8E451 P452 S453 S458E451-K455 IonicContact OE1-NZ 3.54Å; E451-K455 PolarHBondContact OE1-NZ 2.84Å; P452-K455 PolarHBondContact O-N 3.35Å; S453-K455 VanDerWaalsContact C-N 3.28Å; S453-K455 PolarHBondContact O-N 3.11Å; K455-S458 PolarHBondContact O-OG 2.82Å
456L90Very high87Confident52 Ų5274.5 Ų74.527%0.27238%0.381SS..Hα-helixtrans-73.6-38.9179.4-62.4177.5000111.4E451 P452 S453 S458 F668E451-L456 HydrophobicContact CB-CD1 4.4Å; P452-L456 PolarHBondContact O-N 3.14Å; S453-L456 PolarHBondContact O-N 3.44Å; S453-L456 VanDerWaalsContact O-N 3.16Å; L456-S458 PolarHBondContact O-N 3.21Å; L456-F668 HydrophobicContact CB-CE2 4.23Å; L456-F668 HydrophobicContact CB-CZ 3.92Å; L456-F668 HydrophobicContact CD1-CE2 4.24Å; L456-F668 HydrophobicContact CD1-CZ 4.26Å
457N92.8Very high88.3Confident0 Ų067.4 Ų67.40%034%0.343CS..Hα-helixtrans-66.6-21.2179.2-69.3-5000112.6L430 S453 C459 F460 R461 F668L430-N457 HydrophobicContact CD2-CB 4.35Å; L430-N457 PolarHBondContact O-ND2 2.96Å; S453-N457 WeakPolarHBondContact O-CB 3.12Å; S453-N457 PolarHBondContact O-N 3.34Å; S453-N457 PolarHBondContact O-ND2 3.21Å; S453-N457 PolarHBondContact O-OD1 3.21Å; N457-C459 PolarHBondContact O-N 2.81Å; N457-F460 PolarHBondContact O-N 2.83Å; N457-F460 VanDerWaalsContact O-N 3.13Å; N457-R461 WeakPolarHBondContact O-CG 3.4Å; N457-R461 PolarHBondContact O-N 3.35Å; N457-F668 WeakPolarHBondContact OD1-CE1 3.37Å
458S91.3Very high89.8Confident53 Ų5366.9 Ų66.937%0.37133%0.334SS..Hα-helixtrans-56.1-38.8-178.576.90000111.9E454 K455 L456 R461 E462E454-S458 PolarHBondContact O-N 3.43Å; K455-S458 PolarHBondContact O-OG 2.82Å; L456-S458 PolarHBondContact O-N 3.21Å; S458-R461 PolarHBondContact O-N 3.02Å; S458-E462 WeakPolarHBondContact O-CB 3.28Å; S458-E462 WeakPolarHBondContact O-CG 3.44Å; S458-E462 PolarHBondContact O-N 2.75Å
459C90.9Very high91Very high87 Ų8770.5 Ų70.559%0.58835%0.353SS*.Hα-helixtrans-66.1-43.5178.6-171.40000112.2N457 K463N457-C459 PolarHBondContact O-N 2.81Å; C459-K463 PolarHBondContact O-N 3.4Å; C459-K463 VanDerWaalsContact O-N 3.12Å
460F93.8Very high92Very high39 Ų3966.2 Ų66.217%0.17133%0.325CS..Hα-helixtrans-64.9-44.5175-66.3-66.5000111.4L430 N457 E462 K463 V464 E661 L664 V665 F668L430-F460 HydrophobicContact CD1-CB 3.76Å; L430-F460 HydrophobicContact CD2-CB 4.2Å; L430-F460 HydrophobicContact CD2-CD2 4.12Å; L430-F460 HydrophobicContact CD2-CG 4.37Å; N457-F460 PolarHBondContact O-N 2.83Å; N457-F460 VanDerWaalsContact O-N 3.13Å; F460-E462 PolarHBondContact O-N 3.02Å; F460-K463 PolarHBondContact O-N 3.19Å; F460-K463 VanDerWaalsContact O-N 3.13Å; F460-V464 WeakPolarHBondContact O-CB 3.36Å; F460-V464 WeakPolarHBondContact O-CG2 3.09Å; F460-V464 PolarHBondContact O-N 3.29Å; F460-E661 WeakPolarHBondContact CD1-OE1 3.45Å; F460-L664 HydrophobicContact CE1-CB 4.4Å; F460-V665 HydrophobicContact CB-CG2 4.25Å; F460-V665 HydrophobicContact CD1-CG2 3.54Å; F460-V665 HydrophobicContact CE1-CG2 3.92Å; F460-V665 HydrophobicContact CG-CG2 3.88Å; F460-F668 HydrophobicContact CE2-CB 4.14Å; F460-F668 AromaticContact CE2-CD1 3.91Å; F460-F668 HydrophobicContact CE2-CD1 3.91Å; F460-F668 AromaticContact CE2-CD2 3.89Å; F460-F668 HydrophobicContact CE2-CD2 3.89Å; F460-F668 HydrophobicContact CE2-CE1 4.29Å; F460-F668 HydrophobicContact CE2-CE2 4.27Å; F460-F668 AromaticContact CE2-CG 3.69Å; F460-F668 HydrophobicContact CE2-CG 3.69Å; F460-F668 HydrophobicContact CE2-CZ 4.45Å; F460-F668 HydrophobicContact CZ-CB 4.03Å; F460-F668 HydrophobicContact CZ-CD2 4.34Å; F460-F668 HydrophobicContact CZ-CG 4.08Å
461R94.1Very high92.5Very high85 Ų8565.2 Ų65.232%0.32132%0.321SS..Hα-helixtrans-59.3-46.4177.5-70.2-177.4-172.5-71.92111.4L430 E434 N457 S458 K463 V464 D465L430-R461 HydrophobicContact CD1-CG 4.29Å; E434-R461 IonicContact OE2-CZ 3.77Å; E434-R461 IonicContact OE2-NE 2.72Å; E434-R461 IonicContact OE2-NH2 3.08Å; E434-R461 PolarHBondContact OE2-NH2 3.41Å; N457-R461 WeakPolarHBondContact O-CG 3.4Å; N457-R461 PolarHBondContact O-N 3.35Å; S458-R461 PolarHBondContact O-N 3.02Å; R461-K463 VanDerWaalsContact C-N 3.28Å; R461-K463 PolarHBondContact O-N 3.26Å; R461-V464 PolarHBondContact O-N 3.38Å; R461-D465 VanDerWaalsContact O-CB 3.32Å; R461-D465 WeakPolarHBondContact O-CB 3.38Å; R461-D465 VanDerWaalsContact O-CG 3.23Å; R461-D465 PolarHBondContact O-N 3.49Å
462E94.1Very high93Very high107 Ų10764.9 Ų64.950%0.532%0.319SS..Hα-helixtrans-59.6-37.7175.5-76.9179.2-160.300112.7S458 F460 K466S458-E462 WeakPolarHBondContact O-CB 3.28Å; S458-E462 WeakPolarHBondContact O-CG 3.44Å; S458-E462 PolarHBondContact O-N 2.75Å; F460-E462 PolarHBondContact O-N 3.02Å; E462-K466 WeakPolarHBondContact O-CD 3.31Å; E462-K466 VanDerWaalsContact O-CG 3.25Å; E462-K466 WeakPolarHBondContact O-CG 3.27Å; E462-K466 PolarHBondContact O-N 2.95Å; E462-K466 VanDerWaalsContact O-N 3.14Å
463K93Very high93.2Very high87 Ų8767.1 Ų67.138%0.37833%0.329SS..Hα-helixtrans-72.4-45.6178.1-171.9168.5170.7-160.60111.7C459 F460 R461 D465 K466 I467 E661C459-K463 PolarHBondContact O-N 3.4Å; C459-K463 VanDerWaalsContact O-N 3.12Å; F460-K463 PolarHBondContact O-N 3.19Å; F460-K463 VanDerWaalsContact O-N 3.13Å; R461-K463 VanDerWaalsContact C-N 3.28Å; R461-K463 PolarHBondContact O-N 3.26Å; K463-D465 VanDerWaalsContact C-N 3.3Å; K463-D465 PolarHBondContact O-N 3.33Å; K463-K466 WeakPolarHBondContact O-CB 3.27Å; K463-K466 PolarHBondContact O-N 2.9Å; K463-I467 HydrophobicContact CG-CD1 4.21Å; K463-I467 WeakPolarHBondContact O-CG1 3.37Å; K463-I467 PolarHBondContact O-N 3.07Å; K463-E661 WeakPolarHBondContact CD-OE1 3.42Å; K463-E661 WeakPolarHBondContact CD-OE2 3.26Å; K463-E661 WeakPolarHBondContact CE-OE2 3.49Å; K463-E661 IonicContact NZ-OE2 3.74Å; K463-E661 PolarHBondContact NZ-OE2 3.02Å
464V94.9Very high93.4Very high1 Ų168.1 Ų68.11%0.00634%0.335CS..Hα-helixtrans-58.1-43.3174.1168.80000110.9L423 I426 E427 F460 R461 K466 I467 R468 E661L423-V464 HydrophobicContact CB-CG1 4.39Å; L423-V464 HydrophobicContact CD2-CG1 4.26Å; I426-V464 HydrophobicContact CB-CG2 4.4Å; I426-V464 HydrophobicContact CG2-CG2 3.67Å; E427-V464 HydrophobicContact CG-CG1 3.89Å; F460-V464 WeakPolarHBondContact O-CB 3.36Å; F460-V464 WeakPolarHBondContact O-CG2 3.09Å; F460-V464 PolarHBondContact O-N 3.29Å; R461-V464 PolarHBondContact O-N 3.38Å; V464-K466 PolarHBondContact O-N 3.37Å; V464-I467 PolarHBondContact O-N 3.37Å; V464-R468 VanDerWaalsContact O-CB 3.29Å; V464-R468 WeakPolarHBondContact O-CB 3.17Å; V464-R468 PolarHBondContact O-N 3.08Å; V464-E661 HydrophobicContact CG2-CG 4.38Å
465D94.8Very high93.6Very high61 Ų6163.7 Ų63.733%0.32632%0.318SS..Hα-helixtrans-60.6-44.2176.1-77.8-24.9000112.2R461 K463 I467 R468 L469R461-D465 VanDerWaalsContact O-CB 3.32Å; R461-D465 WeakPolarHBondContact O-CB 3.38Å; R461-D465 VanDerWaalsContact O-CG 3.23Å; R461-D465 PolarHBondContact O-N 3.49Å; K463-D465 VanDerWaalsContact C-N 3.3Å; K463-D465 PolarHBondContact O-N 3.33Å; D465-I467 PolarHBondContact O-N 2.91Å; D465-R468 PolarHBondContact O-N 3.02Å; D465-R468 IonicContact OD1-CZ 2.64Å; D465-R468 IonicContact OD1-NE 2.76Å; D465-R468 IonicContact OD1-NH2 3.32Å; D465-R468 PolarHBondContact OD1-NH2 3.36Å; D465-L469 WeakPolarHBondContact O-CG 3.21Å; D465-L469 PolarHBondContact O-N 3.03Å
466K94.8Very high93.7Very high135 Ų13562.4 Ų62.459%0.58731%0.313SS*.Hα-helixtrans-62-42.1175.3-73.6167.5-172.9167.30112E462 K463 V464 S470E462-K466 WeakPolarHBondContact O-CD 3.31Å; E462-K466 VanDerWaalsContact O-CG 3.25Å; E462-K466 WeakPolarHBondContact O-CG 3.27Å; E462-K466 PolarHBondContact O-N 2.95Å; E462-K466 VanDerWaalsContact O-N 3.14Å; K463-K466 WeakPolarHBondContact O-CB 3.27Å; K463-K466 PolarHBondContact O-N 2.9Å; V464-K466 PolarHBondContact O-N 3.37Å; K466-S470 PolarHBondContact O-N 3.2Å; K466-S470 VanDerWaalsContact O-N 3.14Å; K466-S470 PolarHBondContact O-OG 2.96Å
467I93.7Very high93.9Very high11 Ų1165.8 Ų65.86%0.05633%0.326CS..Hα-helixtrans-65.3-46.2177.2-63.5165.2000109.7L423 K463 V464 D465 L469 S470 V471 F654 I657L423-I467 HydrophobicContact CD1-CG2 4.03Å; L423-I467 HydrophobicContact CD2-CB 4.2Å; L423-I467 HydrophobicContact CD2-CG2 3.84Å; L423-I467 HydrophobicContact CG-CG2 4.49Å; K463-I467 HydrophobicContact CG-CD1 4.21Å; K463-I467 WeakPolarHBondContact O-CG1 3.37Å; K463-I467 PolarHBondContact O-N 3.07Å; V464-I467 PolarHBondContact O-N 3.37Å; D465-I467 PolarHBondContact O-N 2.91Å; I467-L469 PolarHBondContact O-N 3.34Å; I467-S470 WeakPolarHBondContact O-CA 3.43Å; I467-S470 WeakPolarHBondContact O-CB 3.47Å; I467-S470 PolarHBondContact O-N 3.4Å; I467-V471 HydrophobicContact CG2-CG2 4.27Å; I467-V471 WeakPolarHBondContact O-CG2 3.4Å; I467-V471 PolarHBondContact O-N 3.39Å; I467-F654 HydrophobicContact CG2-CD1 3.96Å; I467-F654 HydrophobicContact CG2-CE1 4.03Å; I467-I657 HydrophobicContact CD1-CG2 3.89Å; I467-I657 HydrophobicContact CG1-CG2 4.38Å
468R95.4Very high94.1Very high98 Ų9866.2 Ų66.237%0.3733%0.328SS..Hα-helixtrans-57.4-47.7179.1-175.2169.860.4168.73.2112.4F420 L423 E427 V464 D465 S470 V471 Q472F420-R468 HydrophobicContact CD1-CG 4.3Å; F420-R468 HydrophobicContact CE1-CG 3.95Å; L423-R468 HydrophobicContact CD1-CB 3.91Å; L423-R468 HydrophobicContact CD1-CG 4.47Å; E427-R468 IonicContact OE1-CZ 3.76Å; E427-R468 IonicContact OE1-NH1 3.64Å; E427-R468 PolarHBondContact OE1-NH1 2.96Å; V464-R468 VanDerWaalsContact O-CB 3.29Å; V464-R468 WeakPolarHBondContact O-CB 3.17Å; V464-R468 PolarHBondContact O-N 3.08Å; D465-R468 PolarHBondContact O-N 3.02Å; D465-R468 IonicContact OD1-CZ 2.64Å; D465-R468 IonicContact OD1-NE 2.76Å; D465-R468 IonicContact OD1-NH2 3.32Å; D465-R468 PolarHBondContact OD1-NH2 3.36Å; R468-S470 VanDerWaalsContact C-N 3.27Å; R468-S470 PolarHBondContact O-N 3.19Å; R468-V471 PolarHBondContact O-N 3.19Å; R468-Q472 WeakPolarHBondContact O-CB 3.08Å; R468-Q472 PolarHBondContact O-N 3.25Å
469L95.7Very high94.2Very high111 Ų11171.7 Ų71.758%0.58134%0.342SS*.Hα-helixtrans-61.6-37.2175.8-70.6172.5000112D465 I467 Q472 L473D465-L469 WeakPolarHBondContact O-CG 3.21Å; D465-L469 PolarHBondContact O-N 3.03Å; I467-L469 PolarHBondContact O-N 3.34Å; L469-Q472 PolarHBondContact O-N 3.46Å; L469-L473 PolarHBondContact O-N 3.25Å
470S94.8Very high94.4Very high45 Ų4572.5 Ų72.532%0.31534%0.34SS..Hα-helixtrans-67.8-43.6177-56.70000112K466 I467 R468 Q472 L473 V474K466-S470 PolarHBondContact O-N 3.2Å; K466-S470 VanDerWaalsContact O-N 3.14Å; K466-S470 PolarHBondContact O-OG 2.96Å; I467-S470 WeakPolarHBondContact O-CA 3.43Å; I467-S470 WeakPolarHBondContact O-CB 3.47Å; I467-S470 PolarHBondContact O-N 3.4Å; R468-S470 VanDerWaalsContact C-N 3.27Å; R468-S470 PolarHBondContact O-N 3.19Å; S470-Q472 VanDerWaalsContact C-N 3.33Å; S470-Q472 PolarHBondContact O-N 3.02Å; S470-L473 PolarHBondContact O-N 2.7Å; S470-V474 PolarHBondContact O-N 3.46Å; S470-V474 VanDerWaalsContact O-N 3.11Å
471V94.6Very high94.5Very high0 Ų071.7 Ų71.70%034%0.339CS..Hα-helixtrans-61.7-41.8174.5177.20000110.9A416 R419 F420 I467 R468 V474 S475 W650 F654A416-V471 HydrophobicContact CB-CG1 4.24Å; R419-V471 HydrophobicContact CB-CG1 4.18Å; R419-V471 HydrophobicContact CB-CG2 4.18Å; F420-V471 HydrophobicContact CD1-CG1 4.26Å; F420-V471 HydrophobicContact CD2-CG1 4.26Å; F420-V471 HydrophobicContact CE1-CB 4.04Å; F420-V471 HydrophobicContact CE1-CG1 3.83Å; F420-V471 HydrophobicContact CE2-CG1 3.84Å; F420-V471 HydrophobicContact CG-CG1 4.45Å; F420-V471 HydrophobicContact CZ-CB 4.13Å; F420-V471 HydrophobicContact CZ-CG1 3.61Å; I467-V471 HydrophobicContact CG2-CG2 4.27Å; I467-V471 WeakPolarHBondContact O-CG2 3.4Å; I467-V471 PolarHBondContact O-N 3.39Å; R468-V471 PolarHBondContact O-N 3.19Å; V471-V474 PolarHBondContact O-N 3.03Å; V471-S475 WeakPolarHBondContact O-CB 3.35Å; V471-S475 PolarHBondContact O-N 3.46Å; V471-S475 PolarHBondContact O-OG 3.5Å; V471-W650 HydrophobicContact CB-CH2 4.27Å; V471-W650 HydrophobicContact CG2-CH2 3.81Å; V471-W650 HydrophobicContact CG2-CZ3 4.33Å; V471-F654 HydrophobicContact CG2-CD1 4.34Å
472Q94.6Very high94.6Very high90 Ų9068.5 Ų68.542%0.42133%0.328SS..Hα-helixtrans-60.1-50.5176.3-175.4176.7-9.400111.6F420 R468 L469 S470 V474 S475 E476F420-Q472 HydrophobicContact CZ-CB 4.21Å; R468-Q472 WeakPolarHBondContact O-CB 3.08Å; R468-Q472 PolarHBondContact O-N 3.25Å; L469-Q472 PolarHBondContact O-N 3.46Å; S470-Q472 VanDerWaalsContact C-N 3.33Å; S470-Q472 PolarHBondContact O-N 3.02Å; Q472-V474 VanDerWaalsContact C-N 3.28Å; Q472-V474 PolarHBondContact O-N 2.7Å; Q472-S475 PolarHBondContact O-N 3.47Å; Q472-S475 VanDerWaalsContact O-N 3.11Å; Q472-S475 PolarHBondContact O-OG 2.86Å; Q472-E476 PolarHBondContact O-N 2.86Å; Q472-E476 VanDerWaalsContact O-N 3.09Å
473L94.4Very high94.6Very high93 Ų9365.5 Ų65.549%0.48732%0.322SS..Hα-helixtrans-59.4-38179.8-17965000112.7L469 S470 K477L469-L473 PolarHBondContact O-N 3.25Å; S470-L473 PolarHBondContact O-N 2.7Å; L473-K477 PolarHBondContact O-N 3.4Å
474V93.5Very high94.7Very high21 Ų2164.3 Ų64.313%0.12732%0.319CS..Hα-helixtrans-73.4-38.4176.3175.10000111.4S470 V471 Q472 E476 K477 D478 W650S470-V474 PolarHBondContact O-N 3.46Å; S470-V474 VanDerWaalsContact O-N 3.11Å; V471-V474 PolarHBondContact O-N 3.03Å; Q472-V474 VanDerWaalsContact C-N 3.28Å; Q472-V474 PolarHBondContact O-N 2.7Å; V474-E476 VanDerWaalsContact C-N 3.27Å; V474-E476 PolarHBondContact O-N 3.21Å; V474-K477 WeakPolarHBondContact O-CB 3.4Å; V474-K477 PolarHBondContact O-N 3.1Å; V474-K477 VanDerWaalsContact O-N 3.1Å; V474-D478 VanDerWaalsContact O-CG 3.27Å; V474-D478 PolarHBondContact O-N 3.48Å; V474-W650 HydrophobicContact CB-CD2 4.28Å; V474-W650 HydrophobicContact CB-CE3 3.97Å; V474-W650 HydrophobicContact CB-CH2 4.09Å; V474-W650 HydrophobicContact CB-CZ2 4.33Å; V474-W650 HydrophobicContact CB-CZ3 3.89Å; V474-W650 HydrophobicContact CG1-CD2 4.08Å; V474-W650 HydrophobicContact CG1-CE3 3.66Å; V474-W650 HydrophobicContact CG1-CZ3 3.99Å; V474-W650 HydrophobicContact CG2-CD2 3.74Å; V474-W650 HydrophobicContact CG2-CE3 3.95Å; V474-W650 HydrophobicContact CG2-CG 4.39Å; V474-W650 HydrophobicContact CG2-CH2 3.92Å; V474-W650 HydrophobicContact CG2-CZ2 3.64Å; V474-W650 HydrophobicContact CG2-CZ3 4.05Å
475S93.5Very high94.8Very high33 Ų3364.3 Ų64.323%0.23132%0.319CS..Hα-helixtrans-61.7-34.2178.174.90000113.3V471 Q472 D478 Y479V471-S475 WeakPolarHBondContact O-CB 3.35Å; V471-S475 PolarHBondContact O-N 3.46Å; V471-S475 PolarHBondContact O-OG 3.5Å; Q472-S475 PolarHBondContact O-N 3.47Å; Q472-S475 VanDerWaalsContact O-N 3.11Å; Q472-S475 PolarHBondContact O-OG 2.86Å; S475-D478 PolarHBondContact O-N 3.23Å; S475-Y479 PolarHBondContact O-N 2.83Å
476E94Very high94.8Very high101 Ų10167 Ų6747%0.47233%0.328SS..Hα-helixtrans-65-44.9173.6-70.6172.2-171.900110.9Q472 V474 D478 Y479 D480Q472-E476 PolarHBondContact O-N 2.86Å; Q472-E476 VanDerWaalsContact O-N 3.09Å; V474-E476 VanDerWaalsContact C-N 3.27Å; V474-E476 PolarHBondContact O-N 3.21Å; E476-D478 VanDerWaalsContact C-N 3.35Å; E476-D478 PolarHBondContact O-N 3.03Å; E476-Y479 WeakPolarHBondContact O-CB 3.43Å; E476-Y479 PolarHBondContact O-N 2.84Å; E476-D480 PolarHBondContact O-N 3.46Å; E476-D480 VanDerWaalsContact O-N 3.16Å
477K93.9Very high94.8Very high123 Ų12367.5 Ų67.554%0.53533%0.332SS..Hα-helixtrans-65.2-38.1175.6-67.2179-178.4178.70112.5L473 V474 Y479 D480 V481L473-K477 PolarHBondContact O-N 3.4Å; V474-K477 WeakPolarHBondContact O-CB 3.4Å; V474-K477 PolarHBondContact O-N 3.1Å; V474-K477 VanDerWaalsContact O-N 3.1Å; K477-Y479 VanDerWaalsContact C-N 3.3Å; K477-Y479 PolarHBondContact O-N 2.76Å; K477-D480 PolarHBondContact O-N 2.87Å; K477-V481 WeakPolarHBondContact O-CG2 3.3Å; K477-V481 PolarHBondContact O-N 3.17Å
478D95.6Very high94.9Very high9 Ų969.2 Ų69.25%0.04834%0.34CS..Hα-helixtrans-63-41176.3-69.6-20.6000111V474 S475 E476 D480 V481 I482 S647 H651V474-D478 VanDerWaalsContact O-CG 3.27Å; V474-D478 PolarHBondContact O-N 3.48Å; S475-D478 PolarHBondContact O-N 3.23Å; E476-D478 VanDerWaalsContact C-N 3.35Å; E476-D478 PolarHBondContact O-N 3.03Å; D478-D480 VanDerWaalsContact C-N 3.32Å; D478-D480 PolarHBondContact O-N 3.43Å; D478-V481 PolarHBondContact O-N 3.39Å; D478-I482 WeakPolarHBondContact O-CB 3.33Å; D478-I482 VanDerWaalsContact O-CD1 3.3Å; D478-I482 WeakPolarHBondContact O-CD1 3.38Å; D478-I482 WeakPolarHBondContact O-CG1 3.34Å; D478-I482 PolarHBondContact O-N 2.8Å; D478-S647 WeakPolarHBondContact OD1-CB 3.31Å; D478-S647 PolarHBondContact OD1-OG 3.49Å; D478-S647 PolarHBondContact OD2-OG 3.28Å; D478-H651 IonicContact OD2-CD2 2.95Å; D478-H651 IonicContact OD2-CE1 2.68Å; D478-H651 IonicContact OD2-NE2 3.78Å; D478-H651 PolarHBondContact OD2-NE2 3.08Å
479Y94.7Very high94.8Very high169 Ų16966.5 Ų66.566%0.66333%0.331SS*.Hα-helixtrans-58-46.2174.9-178.6-91.4000111.4S475 E476 K477 I482 A483S475-Y479 PolarHBondContact O-N 2.83Å; E476-Y479 WeakPolarHBondContact O-CB 3.43Å; E476-Y479 PolarHBondContact O-N 2.84Å; K477-Y479 VanDerWaalsContact C-N 3.3Å; K477-Y479 PolarHBondContact O-N 2.76Å; Y479-I482 PolarHBondContact O-N 3.44Å; Y479-A483 WeakPolarHBondContact O-CB 3.46Å; Y479-A483 PolarHBondContact O-N 2.64Å
480D95Very high94.5Very high103 Ų10366.5 Ų66.555%0.55134%0.335SS*.Hα-helixtrans-62.1-45.8177.7-67.4-23.6000112E476 K477 D478 I482 A483 L484E476-D480 PolarHBondContact O-N 3.46Å; E476-D480 VanDerWaalsContact O-N 3.16Å; K477-D480 PolarHBondContact O-N 2.87Å; D478-D480 VanDerWaalsContact C-N 3.32Å; D478-D480 PolarHBondContact O-N 3.43Å; D480-I482 PolarHBondContact O-N 3.05Å; D480-A483 PolarHBondContact O-N 2.74Å; D480-L484 WeakPolarHBondContact O-CB 3.43Å; D480-L484 PolarHBondContact O-N 3.23Å
481V95.3Very high94.4Very high23 Ų2368.2 Ų68.214%0.13934%0.341CS..Hα-helixtrans-64.5-39.8178.5173.50000111.4K477 D478 L484 F485 I640 D643 V644K477-V481 WeakPolarHBondContact O-CG2 3.3Å; K477-V481 PolarHBondContact O-N 3.17Å; D478-V481 PolarHBondContact O-N 3.39Å; V481-L484 PolarHBondContact O-N 2.75Å; V481-F485 PolarHBondContact O-N 3.13Å; V481-I640 HydrophobicContact CG1-CG2 4.14Å; V481-D643 HydrophobicContact CG2-CB 4.12Å; V481-V644 HydrophobicContact CG1-CG2 3.59Å
482I95.7Very high94.3Very high17 Ų1768.2 Ų68.29%0.08734%0.341CS..Hα-helixtrans-65.1-43175.8-69.1161.2000110.7V409 L412 K413 D478 Y479 D480 K486V409-I482 HydrophobicContact CG1-CB 4.24Å; V409-I482 HydrophobicContact CG1-CG1 3.81Å; V409-I482 HydrophobicContact CG1-CG2 4.2Å; L412-I482 HydrophobicContact CB-CD1 4.24Å; K413-I482 HydrophobicContact CG-CD1 3.98Å; D478-I482 WeakPolarHBondContact O-CB 3.33Å; D478-I482 VanDerWaalsContact O-CD1 3.3Å; D478-I482 WeakPolarHBondContact O-CD1 3.38Å; D478-I482 WeakPolarHBondContact O-CG1 3.34Å; D478-I482 PolarHBondContact O-N 2.8Å; Y479-I482 PolarHBondContact O-N 3.44Å; D480-I482 PolarHBondContact O-N 3.05Å; I482-K486 HydrophobicContact CG2-CD 4.43Å; I482-K486 WeakPolarHBondContact O-CG 3.44Å; I482-K486 PolarHBondContact O-N 3.23Å; I482-K486 VanDerWaalsContact O-N 3.12Å
483A95.5Very high94Very high45 Ų4568.2 Ų68.237%0.37234%0.341SS..Hα-helixtrans-64-44.9177.700000111.2Y479 D480 F485 K486 Q487Y479-A483 WeakPolarHBondContact O-CB 3.46Å; Y479-A483 PolarHBondContact O-N 2.64Å; D480-A483 PolarHBondContact O-N 2.74Å; A483-F485 PolarHBondContact O-N 3.23Å; A483-K486 PolarHBondContact O-N 3.33Å; A483-Q487 PolarHBondContact O-N 2.65Å
484L95.5Very high93.8Very high62 Ų6264.5 Ų64.533%0.32532%0.323SS..Hα-helixtrans-60.3-43.9177.4-174.466.2000111.9D480 V481 Q487 H488 L636 I640D480-L484 WeakPolarHBondContact O-CB 3.43Å; D480-L484 PolarHBondContact O-N 3.23Å; V481-L484 PolarHBondContact O-N 2.75Å; L484-Q487 PolarHBondContact O-N 3.16Å; L484-H488 PolarHBondContact O-CD2 2.98Å; L484-H488 PolarHBondContact O-N 3.4Å; L484-L636 HydrophobicContact CD2-CD1 4.19Å; L484-I640 HydrophobicContact CD2-CD1 4.18Å; L484-I640 HydrophobicContact CD2-CG1 3.96Å; L484-I640 HydrophobicContact CG-CD1 4Å; L484-I640 HydrophobicContact CG-CG1 4.32Å
485F96.2Very high93.6Very high1 Ų163.7 Ų63.70%0.00432%0.317CS..Hα-helixtrans-60-48.2175.2176-101.8000112.1V402 L405 R406 V409 V481 A483 Q487 H488 E489 F492 I640V402-F485 HydrophobicContact CG1-CE2 4.45Å; V402-F485 HydrophobicContact CG1-CZ 4.39Å; L405-F485 HydrophobicContact CB-CE2 4.33Å; L405-F485 HydrophobicContact CD2-CD2 3.82Å; L405-F485 HydrophobicContact CD2-CE2 3.7Å; L405-F485 HydrophobicContact CG-CD2 4.02Å; L405-F485 HydrophobicContact CG-CE2 3.75Å; R406-F485 HydrophobicContact CB-CE1 4.22Å; R406-F485 HydrophobicContact CB-CZ 3.93Å; R406-F485 HydrophobicContact CG-CE1 4.24Å; R406-F485 HydrophobicContact CG-CZ 4.39Å; V409-F485 HydrophobicContact CB-CD1 4.19Å; V409-F485 HydrophobicContact CG1-CB 4.34Å; V409-F485 HydrophobicContact CG1-CD1 3.83Å; V409-F485 HydrophobicContact CG1-CG 4.25Å; V409-F485 HydrophobicContact CG2-CB 4.25Å; V409-F485 HydrophobicContact CG2-CD1 4.06Å; V409-F485 HydrophobicContact CG2-CD2 4.25Å; V409-F485 HydrophobicContact CG2-CG 3.9Å; V481-F485 PolarHBondContact O-N 3.13Å; A483-F485 PolarHBondContact O-N 3.23Å; F485-Q487 VanDerWaalsContact C-N 3.31Å; F485-Q487 PolarHBondContact O-N 3.27Å; F485-H488 PolarHBondContact O-N 3.12Å; F485-E489 HydrophobicContact CE1-CG 4.45Å; F485-E489 WeakPolarHBondContact CE1-OE1 3.4Å; F485-E489 HydrophobicContact CZ-CG 4.33Å; F485-E489 WeakPolarHBondContact CZ-OE1 3.38Å; F485-E489 WeakPolarHBondContact O-CB 3.49Å; F485-E489 PolarHBondContact O-N 2.86Å; F485-F492 HydrophobicContact CD2-CD2 4.37Å; F485-F492 AromaticContact CD2-CE2 3.98Å; F485-F492 HydrophobicContact CD2-CE2 3.98Å; F485-F492 HydrophobicContact CE2-CD2 4.13Å; F485-F492 HydrophobicContact CE2-CE2 4.2Å; F485-I640 HydrophobicContact CB-CD1 4.43Å; F485-I640 HydrophobicContact CB-CG2 4.05Å; F485-I640 HydrophobicContact CD2-CG2 4.2Å
486K94.3Very high93.4Very high118 Ų11865.4 Ų65.451%0.51332%0.324SS..Hα-helixtrans-62.3-38.1-179.9-73.4177.1-179.9179.10112.7I482 A483 H488I482-K486 HydrophobicContact CG2-CD 4.43Å; I482-K486 WeakPolarHBondContact O-CG 3.44Å; I482-K486 PolarHBondContact O-N 3.23Å; I482-K486 VanDerWaalsContact O-N 3.12Å; A483-K486 PolarHBondContact O-N 3.33Å; K486-H488 VanDerWaalsContact C-N 3.3Å; K486-H488 PolarHBondContact O-N 2.8Å
487Q95.3Very high93.2Very high145 Ų14563.5 Ų63.568%0.67832%0.316SS*.Hα-helixtrans-63-37.8178.6-177.5-179.94.700112A483 L484 F485A483-Q487 PolarHBondContact O-N 2.65Å; L484-Q487 PolarHBondContact O-N 3.16Å; F485-Q487 VanDerWaalsContact C-N 3.31Å; F485-Q487 PolarHBondContact O-N 3.27Å
488H94.8Very high93Very high47 Ų4760.1 Ų60.122%0.21831%0.308CS..Hα-helixtrans-103.44-174.3-71.2-83.1000114.5L484 F485 K486 V490 N491 F492 L636L484-H488 PolarHBondContact O-CD2 2.98Å; L484-H488 PolarHBondContact O-N 3.4Å; F485-H488 PolarHBondContact O-N 3.12Å; K486-H488 VanDerWaalsContact C-N 3.3Å; K486-H488 PolarHBondContact O-N 2.8Å; H488-V490 VanDerWaalsContact C-N 3.26Å; H488-V490 PolarHBondContact O-N 3.31Å; H488-N491 PolarHBondContact ND1-ND2 2.99Å; H488-N491 WeakPolarHBondContact O-CB 3.4Å; H488-N491 PolarHBondContact O-N 2.88Å; H488-F492 HydrophobicContact CB-CE1 4.22Å; H488-F492 HydrophobicContact CB-CE2 3.93Å; H488-F492 HydrophobicContact CB-CZ 3.6Å; H488-F492 WeakPolarHBondContact O-CD2 3.15Å; H488-F492 PolarHBondContact O-N 3.23Å; H488-L636 HydrophobicContact CB-CD2 3.81Å
489E93.1Very high92.7Very high40 Ų4063.8 Ų63.819%0.18732%0.323CS..G310 helixtrans-57.1-36.8-175-175.9167-111.900113.5R406 F485 N491 F492R406-E489 IonicContact CZ-OE1 2.71Å; R406-E489 IonicContact CZ-OE2 2.81Å; R406-E489 IonicContact NE-OE1 3.58Å; R406-E489 IonicContact NH1-OE1 2.9Å; R406-E489 PolarHBondContact NH1-OE1 3.46Å; R406-E489 IonicContact NH1-OE2 2.75Å; R406-E489 PolarHBondContact NH1-OE2 2.94Å; R406-E489 IonicContact NH2-OE1 3.61Å; R406-E489 PolarHBondContact NH2-OE1 3.12Å; R406-E489 VanDerWaalsContact NH2-OE1 3.13Å; R406-E489 IonicContact NH2-OE2 3.8Å; F485-E489 HydrophobicContact CE1-CG 4.45Å; F485-E489 WeakPolarHBondContact CE1-OE1 3.4Å; F485-E489 HydrophobicContact CZ-CG 4.33Å; F485-E489 WeakPolarHBondContact CZ-OE1 3.38Å; F485-E489 WeakPolarHBondContact O-CB 3.49Å; F485-E489 PolarHBondContact O-N 2.86Å; E489-N491 VanDerWaalsContact C-N 3.33Å; E489-F492 PolarHBondContact O-N 3.12Å
490V90.6Very high92.5Very high111 Ų11161.3 Ų61.367%0.67332%0.322SS*.G310 helixtrans-67.2-35.9177.1-177.90000111.3H488 F492 Q493H488-V490 VanDerWaalsContact C-N 3.26Å; H488-V490 PolarHBondContact O-N 3.31Å; V490-F492 PolarHBondContact O-N 3.5Å; V490-Q493 WeakPolarHBondContact O-CB 3.29Å; V490-Q493 WeakPolarHBondContact O-CG 3.33Å; V490-Q493 PolarHBondContact O-N 3.39Å
491N91.5Very high92.4Very high82 Ų8261.8 Ų61.844%0.43932%0.321SS..G310 helixtrans-70.6-18.8-180-61.2-2.4000112.2H488 E489 P494H488-N491 PolarHBondContact ND1-ND2 2.99Å; H488-N491 WeakPolarHBondContact O-CB 3.4Å; H488-N491 PolarHBondContact O-N 2.88Å; E489-N491 VanDerWaalsContact C-N 3.33Å; N491-P494 WeakPolarHBondContact O-CD 3.45Å
492F93.3Very high92.2Very high0 Ų060.7 Ų60.70%031%0.314CS..G310 helixtrans-85.4-12.4176.8-53-38.6000113.2V402 F485 H488 E489 V490 P494 L495 A633 L636 F637 I640V402-F492 HydrophobicContact CB-CB 4.47Å; V402-F492 HydrophobicContact CG1-CB 3.98Å; V402-F492 HydrophobicContact CG2-CB 3.57Å; V402-F492 WeakPolarHBondContact CG2-O 3.31Å; F485-F492 HydrophobicContact CD2-CD2 4.37Å; F485-F492 AromaticContact CD2-CE2 3.98Å; F485-F492 HydrophobicContact CD2-CE2 3.98Å; F485-F492 HydrophobicContact CE2-CD2 4.13Å; F485-F492 HydrophobicContact CE2-CE2 4.2Å; H488-F492 HydrophobicContact CB-CE1 4.22Å; H488-F492 HydrophobicContact CB-CE2 3.93Å; H488-F492 HydrophobicContact CB-CZ 3.6Å; H488-F492 WeakPolarHBondContact O-CD2 3.15Å; H488-F492 PolarHBondContact O-N 3.23Å; E489-F492 PolarHBondContact O-N 3.12Å; V490-F492 PolarHBondContact O-N 3.5Å; F492-P494 VanDerWaalsContact C-CD 3.47Å; F492-L495 HydrophobicContact CB-CD1 4.28Å; F492-L495 HydrophobicContact CD1-CD1 4.07Å; F492-L495 WeakPolarHBondContact O-CA 3.46Å; F492-L495 WeakPolarHBondContact O-CB 3.48Å; F492-L495 WeakPolarHBondContact O-CG 3.31Å; F492-L495 PolarHBondContact O-N 3.43Å; F492-A633 HydrophobicContact CD1-CB 4.33Å; F492-A633 WeakPolarHBondContact CE1-O 3.39Å; F492-L636 HydrophobicContact CE1-CB 4.31Å; F492-L636 HydrophobicContact CE1-CD2 4.36Å; F492-L636 HydrophobicContact CE1-CG 4.33Å; F492-L636 HydrophobicContact CZ-CD2 4.15Å; F492-L636 HydrophobicContact CZ-CG 4.08Å; F492-F637 HydrophobicContact CD1-CB 3.97Å; F492-F637 HydrophobicContact CD2-CD2 4.38Å; F492-F637 HydrophobicContact CE1-CB 3.88Å; F492-F637 HydrophobicContact CG-CD2 4.28Å; F492-F637 HydrophobicContact CZ-CB 4.38Å; F492-I640 HydrophobicContact CE2-CD1 4.16Å; F492-I640 HydrophobicContact CZ-CD1 3.88Å
493Q89Confident92Very high90 Ų9060.9 Ų60.942%0.42132%0.315SS..G310 helixtrans-55.3-40.8-177.9-65.8-60.9-56.500114.4V490 L495 D496V490-Q493 WeakPolarHBondContact O-CB 3.29Å; V490-Q493 WeakPolarHBondContact O-CG 3.33Å; V490-Q493 PolarHBondContact O-N 3.39Å; Q493-L495 PolarHBondContact O-N 2.86Å; Q493-L495 VanDerWaalsContact O-N 3.14Å; Q493-D496 PolarHBondContact O-N 3.47Å
494P90Very high91.8Very high15 Ų1563.2 Ų63.210%0.09732%0.324CS..G310 helixtrans-62.3-19.9174.9-22.735.1000113.9N491 F492 D496 M497 L502 L630N491-P494 WeakPolarHBondContact O-CD 3.45Å; F492-P494 VanDerWaalsContact C-CD 3.47Å; P494-D496 VanDerWaalsContact C-N 3.28Å; P494-D496 PolarHBondContact O-N 3.48Å; P494-M497 HydrophobicContact CB-CE 4.41Å; P494-M497 HydrophobicContact CB-SD 4.39Å; P494-M497 WeakPolarHBondContact O-CB 3.42Å; P494-M497 WeakPolarHBondContact O-CG 3.33Å; P494-M497 PolarHBondContact O-N 3.1Å; P494-L502 HydrophobicContact CB-CD1 4.33Å; P494-L630 HydrophobicContact CB-CD2 3.65Å; P494-L630 HydrophobicContact CG-CD2 3.97Å
495L89.2Confident91.7Very high3 Ų364.5 Ų64.52%0.01633%0.325CS..G310 helixtrans-76.2-14.9-178.9-50.4-175.3000113.3F393 V402 F492 Q493 C634 F637F393-L495 HydrophobicContact CD2-CD2 4.24Å; F393-L495 WeakPolarHBondContact CE2-O 3.24Å; V402-L495 HydrophobicContact CG2-CB 4.45Å; F492-L495 HydrophobicContact CB-CD1 4.28Å; F492-L495 HydrophobicContact CD1-CD1 4.07Å; F492-L495 WeakPolarHBondContact O-CA 3.46Å; F492-L495 WeakPolarHBondContact O-CB 3.48Å; F492-L495 WeakPolarHBondContact O-CG 3.31Å; F492-L495 PolarHBondContact O-N 3.43Å; Q493-L495 PolarHBondContact O-N 2.86Å; Q493-L495 VanDerWaalsContact O-N 3.14Å; L495-C634 WeakPolarHBondContact CD2-SG 3.35Å; L495-F637 HydrophobicContact CD1-CB 4.03Å; L495-F637 HydrophobicContact CD1-CG 4.27Å
496D88Confident91.5Very high70 Ų7064.4 Ų64.437%0.37433%0.325SS..G310 helixtrans-90-6.5174.8-76.4-24000112.8V402 Q493 P494V402-D496 WeakPolarHBondContact CB-OD2 3.47Å; V402-D496 WeakPolarHBondContact CG2-OD1 3.43Å; V402-D496 PolarHBondContact N-OD1 2.89Å; Q493-D496 PolarHBondContact O-N 3.47Å; P494-D496 VanDerWaalsContact C-N 3.28Å; P494-D496 PolarHBondContact O-N 3.48Å
497M90.3Very high91.3Very high60 Ų6063 Ų6330%0.29632%0.32SS..SBendtrans-66.9161.2174.9-62.8178.5179.500111F393 P494 E501 Y505F393-M497 VanDerWaalsContact CZ-O 3.25Å; F393-M497 WeakPolarHBondContact CZ-O 3.41Å; P494-M497 HydrophobicContact CB-CE 4.41Å; P494-M497 HydrophobicContact CB-SD 4.39Å; P494-M497 WeakPolarHBondContact O-CB 3.42Å; P494-M497 WeakPolarHBondContact O-CG 3.33Å; P494-M497 PolarHBondContact O-N 3.1Å; M497-E501 HydrophobicContact CB-CB 4Å; M497-Y505 HydrophobicContact CE-CD2 4.41Å; M497-Y505 HydrophobicContact SD-CG 4.42Å
498S90.6Very high91.2Very high52 Ų5260.2 Ų60.236%0.36432%0.317SS..  trans-70.4161.3166.369.50000111.4N500 E501 L502S498-N500 PolarHBondContact O-N 3.03Å; S498-E501 VanDerWaalsContact CB-OE2 3.22Å; S498-E501 WeakPolarHBondContact CB-OE2 3.46Å; S498-E501 PolarHBondContact N-OE2 3.43Å; S498-E501 PolarHBondContact O-N 3.21Å; S498-E501 WeakPolarHBondContact OG-CB 3.49Å; S498-E501 VanDerWaalsContact OG-CG 3.26Å; S498-E501 WeakPolarHBondContact OG-CG 3.41Å; S498-E501 PolarHBondContact OG-N 3.44Å; S498-E501 PolarHBondContact OG-OE2 3.03Å; S498-L502 PolarHBondContact O-N 2.67Å
499K89.2Confident91.1Very high87 Ų8761.4 Ų61.438%0.37833%0.325SS..Hα-helixtrans-51-44176.8-177-171.2170.8-161.60112.1E383 L390 F393 L503E383-K499 IonicContact OE1-NZ 3.48Å; E383-K499 PolarHBondContact OE1-NZ 3.47Å; L390-K499 HydrophobicContact CD2-CG 4.05Å; F393-K499 HydrophobicContact CE1-CB 4.48Å; K499-L503 WeakPolarHBondContact O-CG 3.35Å; K499-L503 PolarHBondContact O-N 3.1Å; K499-L503 VanDerWaalsContact O-N 3.13Å
500N90.3Very high91Very high117 Ų11760 Ų6063%0.62632%0.318SS*.Hα-helixtrans-71.1-41.8-177.4-68.5-18.1000111.7S498 L502 L503 V504S498-N500 PolarHBondContact O-N 3.03Å; N500-L502 VanDerWaalsContact C-N 3.32Å; N500-L502 PolarHBondContact O-N 3.18Å; N500-L503 PolarHBondContact O-N 2.84Å; N500-V504 WeakPolarHBondContact O-CG2 3.5Å; N500-V504 PolarHBondContact O-N 2.82Å
501E92Very high91.2Very high113 Ų11360.5 Ų60.553%0.52831%0.313SS..Hα-helixtrans-63.8-39176.1-71.6163149.200111.6M497 S498 V504 Y505M497-E501 HydrophobicContact CB-CB 4Å; S498-E501 VanDerWaalsContact CB-OE2 3.22Å; S498-E501 WeakPolarHBondContact CB-OE2 3.46Å; S498-E501 PolarHBondContact N-OE2 3.43Å; S498-E501 PolarHBondContact O-N 3.21Å; S498-E501 WeakPolarHBondContact OG-CB 3.49Å; S498-E501 VanDerWaalsContact OG-CG 3.26Å; S498-E501 WeakPolarHBondContact OG-CG 3.41Å; S498-E501 PolarHBondContact OG-N 3.44Å; S498-E501 PolarHBondContact OG-OE2 3.03Å; E501-V504 PolarHBondContact O-N 3.43Å; E501-Y505 WeakPolarHBondContact O-CB 3.48Å; E501-Y505 PolarHBondContact O-N 3.4Å
502L91.4Very high91.2Very high0 Ų061.4 Ų61.40%032%0.324CS..Hα-helixtrans-61.1-44.8174.1-177.770.5000111.4L390 F393 P494 S498 N500 Y505 I506 L630L390-L502 HydrophobicContact CD2-CD2 4.36Å; F393-L502 HydrophobicContact CB-CD2 4.43Å; F393-L502 HydrophobicContact CD1-CD2 4.17Å; F393-L502 HydrophobicContact CD2-CD2 3.6Å; F393-L502 HydrophobicContact CE1-CD2 4.34Å; F393-L502 HydrophobicContact CE2-CD2 3.77Å; F393-L502 HydrophobicContact CG-CD2 3.8Å; F393-L502 HydrophobicContact CZ-CD2 4.14Å; P494-L502 HydrophobicContact CB-CD1 4.33Å; S498-L502 PolarHBondContact O-N 2.67Å; N500-L502 VanDerWaalsContact C-N 3.32Å; N500-L502 PolarHBondContact O-N 3.18Å; L502-Y505 WeakPolarHBondContact O-CB 3.39Å; L502-Y505 PolarHBondContact O-N 2.83Å; L502-I506 HydrophobicContact CD1-CD1 4.41Å; L502-I506 HydrophobicContact CD2-CD1 4.49Å; L502-I506 HydrophobicContact CG-CD1 3.97Å; L502-I506 VanDerWaalsContact O-CG1 3.24Å; L502-I506 WeakPolarHBondContact O-CG1 3.41Å; L502-I506 PolarHBondContact O-N 3.39Å; L502-L630 HydrophobicContact CD1-CD1 4.1Å
503L92Very high91.1Very high20 Ų2068.9 Ų68.911%0.10536%0.356CS..Hα-helixtrans-63.9-42.1177.9-68.7175.5000111.5F382 E383 C386 L390 K499 N500 Y505 I506 Q507F382-L503 HydrophobicContact CD1-CB 4.29Å; F382-L503 HydrophobicContact CD1-CD2 3.88Å; F382-L503 HydrophobicContact CE1-CB 4.1Å; F382-L503 HydrophobicContact CE1-CD2 3.91Å; F382-L503 VanDerWaalsContact CE1-O 3.3Å; F382-L503 WeakPolarHBondContact CE1-O 3.41Å; E383-L503 HydrophobicContact CG-CD1 4.05Å; C386-L503 HydrophobicContact CB-CD2 4.02Å; L390-L503 HydrophobicContact CD1-CD2 4.37Å; L390-L503 HydrophobicContact CD2-CD2 4.25Å; K499-L503 WeakPolarHBondContact O-CG 3.35Å; K499-L503 PolarHBondContact O-N 3.1Å; K499-L503 VanDerWaalsContact O-N 3.13Å; N500-L503 PolarHBondContact O-N 2.84Å; L503-Y505 VanDerWaalsContact C-N 3.34Å; L503-Y505 PolarHBondContact O-N 2.98Å; L503-I506 PolarHBondContact O-N 3.42Å; L503-Q507 WeakPolarHBondContact O-CB 3.43Å; L503-Q507 PolarHBondContact O-N 2.89Å
504V91.9Very high91.3Very high94 Ų9466.5 Ų66.557%0.5735%0.345SS*.Hα-helixtrans-62.7-42.1174.3172.80000111N500 E501 Q507 S508N500-V504 WeakPolarHBondContact O-CG2 3.5Å; N500-V504 PolarHBondContact O-N 2.82Å; E501-V504 PolarHBondContact O-N 3.43Å; V504-Q507 PolarHBondContact O-N 2.81Å; V504-S508 WeakPolarHBondContact O-CB 3.24Å; V504-S508 PolarHBondContact O-N 3.46Å; V504-S508 PolarHBondContact O-OG 2.91Å
505Y92Very high91.4Very high89 Ų8968.2 Ų68.235%0.34935%0.353SS..Hα-helixtrans-59-49.6175.1173-97.6000110.9M497 E501 L502 L503 Q507 S508 N509 V626 L630M497-Y505 HydrophobicContact CE-CD2 4.41Å; M497-Y505 HydrophobicContact SD-CG 4.42Å; E501-Y505 WeakPolarHBondContact O-CB 3.48Å; E501-Y505 PolarHBondContact O-N 3.4Å; L502-Y505 WeakPolarHBondContact O-CB 3.39Å; L502-Y505 PolarHBondContact O-N 2.83Å; L503-Y505 VanDerWaalsContact C-N 3.34Å; L503-Y505 PolarHBondContact O-N 2.98Å; Y505-Q507 PolarHBondContact O-N 2.87Å; Y505-S508 PolarHBondContact O-N 2.9Å; Y505-S508 PolarHBondContact O-OG 3.48Å; Y505-N509 PolarHBondContact O-ND2 3.19Å; Y505-V626 HydrophobicContact CE1-CG1 4.32Å; Y505-L630 HydrophobicContact CD1-CD1 4.37Å; Y505-L630 HydrophobicContact CE1-CD1 4.27Å; Y505-L630 HydrophobicContact CE1-CD2 4.5Å
506I92Very high91.6Very high0 Ų073.9 Ų73.90%038%0.379CS..Hα-helixtrans-59.9-49.1177.4-64.4165.3000109.7F382 L389 L502 L503 S508 N509 F510 V626 I627 L630F382-I506 HydrophobicContact CE1-CB 4.29Å; F382-I506 HydrophobicContact CE1-CG2 4.29Å; F382-I506 HydrophobicContact CZ-CB 4.04Å; F382-I506 HydrophobicContact CZ-CG2 3.7Å; L389-I506 HydrophobicContact CD2-CD1 3.63Å; L502-I506 HydrophobicContact CD1-CD1 4.41Å; L502-I506 HydrophobicContact CD2-CD1 4.49Å; L502-I506 HydrophobicContact CG-CD1 3.97Å; L502-I506 VanDerWaalsContact O-CG1 3.24Å; L502-I506 WeakPolarHBondContact O-CG1 3.41Å; L502-I506 PolarHBondContact O-N 3.39Å; L503-I506 PolarHBondContact O-N 3.42Å; I506-S508 VanDerWaalsContact C-N 3.28Å; I506-S508 PolarHBondContact O-N 3.39Å; I506-N509 WeakPolarHBondContact O-CB 3.49Å; I506-N509 PolarHBondContact O-N 3.31Å; I506-F510 HydrophobicContact CG2-CD2 4.4Å; I506-F510 HydrophobicContact CG2-CE2 3.67Å; I506-F510 VanDerWaalsContact O-CD2 3.25Å; I506-F510 WeakPolarHBondContact O-CD2 3.29Å; I506-V626 HydrophobicContact CG1-CG1 4.44Å; I506-I627 HydrophobicContact CG2-CD1 4.5Å; I506-I627 HydrophobicContact CG2-CG1 3.99Å; I506-L630 HydrophobicContact CD1-CD1 3.9Å; I506-L630 HydrophobicContact CG1-CD1 3.58Å
507Q91Very high91.8Very high87 Ų8772.4 Ų72.441%0.40737%0.372SS..Hα-helixtrans-61.7-36.2-177.7-170.3177.33.400112.1F382 L503 V504 Y505 N509 F510F382-Q507 HydrophobicContact CE1-CB 4.06Å; F382-Q507 HydrophobicContact CE2-CB 4.16Å; F382-Q507 HydrophobicContact CE2-CG 4.35Å; F382-Q507 HydrophobicContact CZ-CB 3.61Å; F382-Q507 HydrophobicContact CZ-CG 4.28Å; L503-Q507 WeakPolarHBondContact O-CB 3.43Å; L503-Q507 PolarHBondContact O-N 2.89Å; V504-Q507 PolarHBondContact O-N 2.81Å; Y505-Q507 PolarHBondContact O-N 2.87Å; Q507-N509 PolarHBondContact O-N 2.97Å; Q507-N509 VanDerWaalsContact O-N 3.16Å; Q507-F510 PolarHBondContact O-N 3.33Å; Q507-F510 VanDerWaalsContact O-N 3.07Å
508S92.1Very high91.9Very high87 Ų8770.5 Ų70.561%0.60836%0.363SS*.Hα-helixtrans-65.2-16.1177.7720000114.1V504 Y505 I506V504-S508 WeakPolarHBondContact O-CB 3.24Å; V504-S508 PolarHBondContact O-N 3.46Å; V504-S508 PolarHBondContact O-OG 2.91Å; Y505-S508 PolarHBondContact O-N 2.9Å; Y505-S508 PolarHBondContact O-OG 3.48Å; I506-S508 VanDerWaalsContact C-N 3.28Å; I506-S508 PolarHBondContact O-N 3.39Å
509N92.6Very high92Very high72 Ų7273.9 Ų73.939%0.38537%0.373SS..THydrogen-bonded Turntrans-94.4-0.9175.3-71.9-94.6000113.8Y505 I506 Q507 V626Y505-N509 PolarHBondContact O-ND2 3.19Å; I506-N509 WeakPolarHBondContact O-CB 3.49Å; I506-N509 PolarHBondContact O-N 3.31Å; Q507-N509 PolarHBondContact O-N 2.97Å; Q507-N509 VanDerWaalsContact O-N 3.16Å; N509-V626 HydrophobicContact CB-CB 4.39Å; N509-V626 HydrophobicContact CB-CG1 4.38Å; N509-V626 HydrophobicContact CB-CG2 3.63Å
510F92.8Very high92.2Very high11 Ų1175.4 Ų75.45%0.04838%0.382CS..SBendtrans-84.6145.8175.3-81.7-121000110.1F382 I506 Q507 E514 I515 I518 Y621 H624 I627F382-F510 HydrophobicContact CE2-CD2 4.47Å; F382-F510 HydrophobicContact CE2-CE2 4.19Å; F382-F510 HydrophobicContact CE2-CZ 4.2Å; F382-F510 HydrophobicContact CZ-CE2 4.38Å; I506-F510 HydrophobicContact CG2-CD2 4.4Å; I506-F510 HydrophobicContact CG2-CE2 3.67Å; I506-F510 VanDerWaalsContact O-CD2 3.25Å; I506-F510 WeakPolarHBondContact O-CD2 3.29Å; Q507-F510 PolarHBondContact O-N 3.33Å; Q507-F510 VanDerWaalsContact O-N 3.07Å; F510-E514 HydrophobicContact CB-CB 4.46Å; F510-E514 HydrophobicContact CD1-CB 3.97Å; F510-I515 HydrophobicContact CB-CG1 4.14Å; F510-I518 HydrophobicContact CD1-CD1 3.67Å; F510-I518 HydrophobicContact CE1-CD1 3.72Å; F510-Y621 AromaticContact CE1-CD1 3.92Å; F510-Y621 HydrophobicContact CE1-CD1 3.92Å; F510-H624 HydrophobicContact CE2-CB 4.48Å; F510-H624 AromaticContact CE2-CE1 3.93Å; F510-H624 AromaticContact CE2-CG 3.91Å; F510-H624 AromaticContact CE2-ND1 3.65Å; F510-H624 HydrophobicContact CZ-CB 3.97Å; F510-H624 AromaticContact CZ-CG 3.73Å; F510-H624 AromaticContact CZ-ND1 3.98Å; F510-I627 HydrophobicContact CZ-CD1 4.28Å
511E93Very high92.5Very high122 Ų12269.8 Ų69.857%0.5735%0.352SS*.  trans-71.1150.5173.9-63.5-173.5172.400111K513 E514 I515E511-K513 PolarHBondContact O-N 3.44Å; E511-K513 VanDerWaalsContact O-N 3.11Å; E511-E514 HydrophobicContact CB-CG 4.13Å; E511-E514 PolarHBondContact N-OE2 3.16Å; E511-E514 WeakPolarHBondContact O-CA 3.37Å; E511-E514 WeakPolarHBondContact O-CB 3.28Å; E511-E514 PolarHBondContact O-N 3.24Å; E511-I515 PolarHBondContact O-N 3.33Å; E511-I515 VanDerWaalsContact O-N 3.13Å
512P91.7Very high92.6Very high101 Ų10166.4 Ų66.466%0.65634%0.336SS*.Hα-helixtrans-53-37178.5-28.235000114.1E514 I515 E516P512-E514 VanDerWaalsContact C-N 3.33Å; P512-E514 PolarHBondContact O-N 2.93Å; P512-I515 WeakPolarHBondContact O-CB 3.42Å; P512-I515 PolarHBondContact O-N 2.9Å; P512-E516 PolarHBondContact O-N 3.04Å; P512-E516 VanDerWaalsContact O-N 3.15Å
513K92.3Very high92.8Very high157 Ų15770.6 Ų70.668%0.68336%0.358SS*.Hα-helixtrans-66.9-33176.3-68.5-179178.2177.40112.8E511 I515 V517E511-K513 PolarHBondContact O-N 3.44Å; E511-K513 VanDerWaalsContact O-N 3.11Å; K513-I515 VanDerWaalsContact C-N 3.34Å; K513-V517 WeakPolarHBondContact O-CG2 3.34Å; K513-V517 PolarHBondContact O-N 3.3Å
514E92.6Very high92.9Very high40 Ų4071.5 Ų71.519%0.18736%0.363CS..Hα-helixtrans-72.2-34.4176.9-62.1178.9120.700110.9F510 E511 P512 V517 I518 Y621 H624F510-E514 HydrophobicContact CB-CB 4.46Å; F510-E514 HydrophobicContact CD1-CB 3.97Å; E511-E514 HydrophobicContact CB-CG 4.13Å; E511-E514 PolarHBondContact N-OE2 3.16Å; E511-E514 WeakPolarHBondContact O-CA 3.37Å; E511-E514 WeakPolarHBondContact O-CB 3.28Å; E511-E514 PolarHBondContact O-N 3.24Å; P512-E514 VanDerWaalsContact C-N 3.33Å; P512-E514 PolarHBondContact O-N 2.93Å; E514-V517 PolarHBondContact O-N 3.42Å; E514-I518 VanDerWaalsContact O-CG1 3.29Å; E514-I518 WeakPolarHBondContact O-CG1 3.49Å; E514-I518 PolarHBondContact O-N 2.94Å; E514-Y621 HydrophobicContact CB-CE1 3.9Å; E514-Y621 HydrophobicContact CG-CE1 3.97Å; E514-H624 IonicContact OE1-CD2 3.94Å; E514-H624 IonicContact OE1-NE2 3.21Å; E514-H624 IonicContact OE2-NE2 3.36Å
515I91.6Very high93.1Very high50 Ų5068.8 Ų68.826%0.25634%0.343SS..Hα-helixtrans-62.9-45.3174.2-62.1171.7000110.5F510 E511 P512 K513 V517 I518 E519F510-I515 HydrophobicContact CB-CG1 4.14Å; E511-I515 PolarHBondContact O-N 3.33Å; E511-I515 VanDerWaalsContact O-N 3.13Å; P512-I515 WeakPolarHBondContact O-CB 3.42Å; P512-I515 PolarHBondContact O-N 2.9Å; K513-I515 VanDerWaalsContact C-N 3.34Å; I515-V517 VanDerWaalsContact C-N 3.32Å; I515-V517 PolarHBondContact O-N 3.06Å; I515-I518 WeakPolarHBondContact O-CB 3.4Å; I515-I518 PolarHBondContact O-N 2.84Å; I515-I518 VanDerWaalsContact O-N 3.09Å; I515-E519 PolarHBondContact O-N 3.37Å
516E93Very high93.3Very high122 Ų12270.1 Ų70.157%0.5735%0.35SS*.Hα-helixtrans-57.4-43.6175.4-71.1174.118000111.9P512 I518 E519 E520P512-E516 PolarHBondContact O-N 3.04Å; P512-E516 VanDerWaalsContact O-N 3.15Å; E516-I518 VanDerWaalsContact C-N 3.33Å; E516-I518 PolarHBondContact O-N 2.96Å; E516-E519 WeakPolarHBondContact O-CB 3.36Å; E516-E519 PolarHBondContact O-N 2.87Å; E516-E520 PolarHBondContact O-N 2.83Å; E516-E520 VanDerWaalsContact O-N 3.08Å
517V92.8Very high93.5Very high39 Ų3972.4 Ų72.424%0.23636%0.362CS..Hα-helixtrans-64.9-37.1176177.30000111.5K513 E514 I515 E519 E520 I521 Y621K513-V517 WeakPolarHBondContact O-CG2 3.34Å; K513-V517 PolarHBondContact O-N 3.3Å; E514-V517 PolarHBondContact O-N 3.42Å; I515-V517 VanDerWaalsContact C-N 3.32Å; I515-V517 PolarHBondContact O-N 3.06Å; V517-E519 VanDerWaalsContact C-N 3.31Å; V517-E519 PolarHBondContact O-N 2.98Å; V517-E520 WeakPolarHBondContact O-CB 3.27Å; V517-E520 PolarHBondContact O-N 3.25Å; V517-I521 HydrophobicContact CG1-CD1 4.1Å; V517-I521 HydrophobicContact CG1-CG1 4.49Å; V517-I521 WeakPolarHBondContact O-CD1 3.46Å; V517-I521 VanDerWaalsContact O-CG1 3.24Å; V517-I521 WeakPolarHBondContact O-CG1 3.28Å; V517-I521 PolarHBondContact O-N 3.44Å; V517-Y621 HydrophobicContact CB-CE2 4.44Å; V517-Y621 WeakPolarHBondContact CB-OH 3.45Å; V517-Y621 HydrophobicContact CG1-CE2 3.73Å; V517-Y621 WeakPolarHBondContact CG1-OH 3.5Å
518I92.7Very high93.7Very high21 Ų2168.2 Ų68.211%0.10834%0.343CS..Hα-helixtrans-62.7-38.2174.5-69.7165.2000111.4V381 F382 I385 F510 E514 I515 E516 I521 E522V381-I518 HydrophobicContact CG1-CG2 4.13Å; F382-I518 HydrophobicContact CD2-CD1 4.26Å; F382-I518 HydrophobicContact CE2-CD1 4.42Å; I385-I518 HydrophobicContact CD1-CD1 4.49Å; I385-I518 HydrophobicContact CD1-CG1 4.35Å; F510-I518 HydrophobicContact CD1-CD1 3.67Å; F510-I518 HydrophobicContact CE1-CD1 3.72Å; E514-I518 VanDerWaalsContact O-CG1 3.29Å; E514-I518 WeakPolarHBondContact O-CG1 3.49Å; E514-I518 PolarHBondContact O-N 2.94Å; I515-I518 WeakPolarHBondContact O-CB 3.4Å; I515-I518 PolarHBondContact O-N 2.84Å; I515-I518 VanDerWaalsContact O-N 3.09Å; E516-I518 VanDerWaalsContact C-N 3.33Å; E516-I518 PolarHBondContact O-N 2.96Å; I518-I521 PolarHBondContact O-N 3.29Å; I518-E522 WeakPolarHBondContact O-CB 3.27Å; I518-E522 PolarHBondContact O-N 2.9Å
519E92.9Very high93.9Very high122 Ų12266.3 Ų66.357%0.5733%0.326SS*.Hα-helixtrans-65.5-37.3174-68.2-178.4176.600112.4I515 E516 V517 E522 N523I515-E519 PolarHBondContact O-N 3.37Å; E516-E519 WeakPolarHBondContact O-CB 3.36Å; E516-E519 PolarHBondContact O-N 2.87Å; V517-E519 VanDerWaalsContact C-N 3.31Å; V517-E519 PolarHBondContact O-N 2.98Å; E519-E522 WeakPolarHBondContact O-CB 3.41Å; E519-E522 PolarHBondContact O-N 2.86Å; E519-N523 PolarHBondContact O-N 2.99Å; E519-N523 PolarHBondContact O-ND2 3.46Å
520E94.2Very high94.1Very high119 Ų11968.9 Ų68.956%0.55633%0.33SS*.Hα-helixtrans-63.8-42.7172.2-68.2-178174.600112.2E516 V517 E522 N523 L524E516-E520 PolarHBondContact O-N 2.83Å; E516-E520 VanDerWaalsContact O-N 3.08Å; V517-E520 WeakPolarHBondContact O-CB 3.27Å; V517-E520 PolarHBondContact O-N 3.25Å; E520-E522 VanDerWaalsContact C-N 3.25Å; E520-E522 PolarHBondContact O-N 3.37Å; E520-N523 WeakPolarHBondContact O-CB 3.33Å; E520-N523 PolarHBondContact O-N 3.28Å; E520-N523 VanDerWaalsContact O-N 3.13Å; E520-L524 PolarHBondContact O-N 3.38Å
521I94.9Very high94.3Very high0 Ų068.3 Ų68.30%033%0.327CS..Hα-helixtrans-61.2-37.9174.4-61158.5000110.2V381 V517 I518 N523 L524 R525 Y614 Q617 I618 Y621V381-I521 HydrophobicContact CB-CG2 4.25Å; V381-I521 HydrophobicContact CG1-CB 3.97Å; V381-I521 HydrophobicContact CG1-CG2 3.53Å; V381-I521 HydrophobicContact CG2-CB 4.29Å; V381-I521 HydrophobicContact CG2-CG2 3.62Å; V517-I521 HydrophobicContact CG1-CD1 4.1Å; V517-I521 HydrophobicContact CG1-CG1 4.49Å; V517-I521 WeakPolarHBondContact O-CD1 3.46Å; V517-I521 VanDerWaalsContact O-CG1 3.24Å; V517-I521 WeakPolarHBondContact O-CG1 3.28Å; V517-I521 PolarHBondContact O-N 3.44Å; I518-I521 PolarHBondContact O-N 3.29Å; I521-N523 VanDerWaalsContact C-N 3.3Å; I521-N523 PolarHBondContact O-N 2.88Å; I521-L524 WeakPolarHBondContact O-CB 3.49Å; I521-L524 PolarHBondContact O-N 2.9Å; I521-R525 PolarHBondContact O-N 2.84Å; I521-Y614 HydrophobicContact CG2-CD2 3.62Å; I521-Y614 HydrophobicContact CG2-CE2 3.66Å; I521-Q617 HydrophobicContact CD1-CB 3.69Å; I521-Q617 HydrophobicContact CG1-CB 3.88Å; I521-Q617 HydrophobicContact CG1-CG 4.47Å; I521-I618 HydrophobicContact CG2-CG1 4.27Å; I521-Y621 HydrophobicContact CD1-CD2 4.02Å; I521-Y621 HydrophobicContact CD1-CE2 4.04Å
522E94.7Very high94.3Very high42 Ų4263.6 Ų63.620%0.19630%0.304CS..Hα-helixtrans-67.2-31.6177.2-166.663.3-141.100111.9V381 I518 E519 E520 R525 K526V381-E522 VanDerWaalsContact CB-OE2 3.24Å; V381-E522 WeakPolarHBondContact CB-OE2 3.45Å; V381-E522 HydrophobicContact CG2-CB 4.31Å; V381-E522 WeakPolarHBondContact CG2-OE2 3.28Å; V381-E522 PolarHBondContact N-OE2 3.4Å; I518-E522 WeakPolarHBondContact O-CB 3.27Å; I518-E522 PolarHBondContact O-N 2.9Å; E519-E522 WeakPolarHBondContact O-CB 3.41Å; E519-E522 PolarHBondContact O-N 2.86Å; E520-E522 VanDerWaalsContact C-N 3.25Å; E520-E522 PolarHBondContact O-N 3.37Å; E522-R525 WeakPolarHBondContact O-CB 3.26Å; E522-R525 PolarHBondContact O-N 3.2Å; E522-R525 WeakPolarHBondContact OE1-CD 3.37Å; E522-R525 IonicContact OE1-CZ 2.75Å; E522-R525 IonicContact OE1-NE 3.99Å; E522-R525 IonicContact OE1-NH1 3.73Å; E522-R525 PolarHBondContact OE1-NH1 3.32Å; E522-K526 WeakPolarHBondContact O-CG 3.48Å; E522-K526 PolarHBondContact O-N 3.44Å; E522-K526 VanDerWaalsContact O-N 3.12Å
523N95.3Very high94.5Very high87 Ų8763 Ų6347%0.46530%0.295SS..Hα-helixtrans-69.8-39.8170.5-68.3-35.6000112E519 E520 I521 R525 K526 D527E519-N523 PolarHBondContact O-N 2.99Å; E519-N523 PolarHBondContact O-ND2 3.46Å; E520-N523 WeakPolarHBondContact O-CB 3.33Å; E520-N523 PolarHBondContact O-N 3.28Å; E520-N523 VanDerWaalsContact O-N 3.13Å; I521-N523 VanDerWaalsContact C-N 3.3Å; I521-N523 PolarHBondContact O-N 2.88Å; N523-R525 VanDerWaalsContact C-N 3.29Å; N523-R525 PolarHBondContact O-N 2.93Å; N523-K526 PolarHBondContact O-N 3.26Å; N523-K526 PolarHBondContact OD1-NZ 2.77Å; N523-D527 PolarHBondContact O-N 2.9Å; N523-D527 VanDerWaalsContact O-N 3.12Å
524L95.2Very high94.7Very high39 Ų3959.2 Ų59.220%0.20428%0.28CS..Hα-helixtrans-60.8-38.1170.7-71.4175000111.9E520 I521 K526 D527 L528 P613 Y614E520-L524 PolarHBondContact O-N 3.38Å; I521-L524 WeakPolarHBondContact O-CB 3.49Å; I521-L524 PolarHBondContact O-N 2.9Å; L524-K526 PolarHBondContact O-N 3.44Å; L524-D527 PolarHBondContact O-N 3.13Å; L524-L528 WeakPolarHBondContact O-CG 3.42Å; L524-L528 PolarHBondContact O-N 3.03Å; L524-P613 HydrophobicContact CD1-CB 4.43Å; L524-Y614 HydrophobicContact CB-CD2 4.18Å
525R95.7Very high94.9Very high37 Ų3757.3 Ų57.314%0.1427%0.272CS..Hα-helixtrans-58.6-46.3173.8-176.6179.6163.4-101.60.1111.6L377 E378 L379 V381 I521 E522 N523 D527 L528 I529 Y614L377-R525 HydrophobicContact CD2-CG 4.34Å; L377-R525 PolarHBondContact O-NE 3.22Å; L377-R525 PolarHBondContact O-NH2 2.89Å; E378-R525 PolarHBondContact O-NH2 3.07Å; L379-R525 VanDerWaalsContact O-CZ 3.3Å; L379-R525 PolarHBondContact O-NE 3.43Å; L379-R525 PolarHBondContact O-NH2 2.93Å; V381-R525 HydrophobicContact CG2-CB 4.21Å; I521-R525 PolarHBondContact O-N 2.84Å; E522-R525 WeakPolarHBondContact O-CB 3.26Å; E522-R525 PolarHBondContact O-N 3.2Å; E522-R525 WeakPolarHBondContact OE1-CD 3.37Å; E522-R525 IonicContact OE1-CZ 2.75Å; E522-R525 IonicContact OE1-NE 3.99Å; E522-R525 IonicContact OE1-NH1 3.73Å; E522-R525 PolarHBondContact OE1-NH1 3.32Å; N523-R525 VanDerWaalsContact C-N 3.29Å; N523-R525 PolarHBondContact O-N 2.93Å; R525-D527 VanDerWaalsContact C-N 3.33Å; R525-D527 PolarHBondContact O-N 2.84Å; R525-L528 PolarHBondContact O-N 3.05Å; R525-I529 HydrophobicContact CG-CD1 4.03Å; R525-I529 WeakPolarHBondContact O-CG1 3.46Å; R525-I529 PolarHBondContact O-N 2.93Å; R525-Y614 HydrophobicContact CB-CE2 3.73Å; R525-Y614 HydrophobicContact CG-CE2 4.35Å
526K95.5Very high95Very high117 Ų11757.6 Ų57.651%0.50927%0.273SS..Hα-helixtrans-61.2-41.7178-68.8169.8-169.9163.30112E522 N523 L524 L528 I529 R530E522-K526 WeakPolarHBondContact O-CG 3.48Å; E522-K526 PolarHBondContact O-N 3.44Å; E522-K526 VanDerWaalsContact O-N 3.12Å; N523-K526 PolarHBondContact O-N 3.26Å; N523-K526 PolarHBondContact OD1-NZ 2.77Å; L524-K526 PolarHBondContact O-N 3.44Å; K526-L528 VanDerWaalsContact C-N 3.35Å; K526-I529 PolarHBondContact O-N 2.88Å; K526-R530 PolarHBondContact O-N 2.95Å
527D96.1Very high95.2Very high48 Ų4857 Ų5726%0.25727%0.271SS..Hα-helixtrans-63-41.2174.9-79.5-14.8000112.1N523 L524 R525 R530 I531 K610N523-D527 PolarHBondContact O-N 2.9Å; N523-D527 VanDerWaalsContact O-N 3.12Å; L524-D527 PolarHBondContact O-N 3.13Å; R525-D527 VanDerWaalsContact C-N 3.33Å; R525-D527 PolarHBondContact O-N 2.84Å; D527-R530 PolarHBondContact O-N 3.44Å; D527-I531 WeakPolarHBondContact O-CG1 3.3Å; D527-I531 PolarHBondContact O-N 3.47Å; D527-K610 HydrophobicContact CB-CD 3.89Å; D527-K610 IonicContact OD2-NZ 3.27Å; D527-K610 PolarHBondContact OD2-NZ 3.34Å
528L96.3Very high95.4Very high0 Ų055.1 Ų55.10%026%0.26CS..Hα-helixtrans-64.4-40.9175.8-73.2171.6000111.9L377 L524 R525 K526 R530 I531 W532 L607 K610 Y614L377-L528 HydrophobicContact CD1-CB 4.31Å; L377-L528 HydrophobicContact CD2-CB 3.81Å; L377-L528 HydrophobicContact CD2-CD1 4.19Å; L524-L528 WeakPolarHBondContact O-CG 3.42Å; L524-L528 PolarHBondContact O-N 3.03Å; R525-L528 PolarHBondContact O-N 3.05Å; K526-L528 VanDerWaalsContact C-N 3.35Å; L528-R530 VanDerWaalsContact C-N 3.33Å; L528-R530 PolarHBondContact O-N 2.82Å; L528-I531 PolarHBondContact O-N 3.28Å; L528-W532 WeakPolarHBondContact O-CB 3.5Å; L528-W532 PolarHBondContact O-N 3.2Å; L528-L607 HydrophobicContact CD2-CD1 3.8Å; L528-K610 HydrophobicContact CD2-CB 3.62Å; L528-K610 HydrophobicContact CG-CB 4.21Å; L528-Y614 HydrophobicContact CD1-CD1 3.57Å; L528-Y614 HydrophobicContact CD1-CD2 4.06Å; L528-Y614 HydrophobicContact CD1-CE1 4.11Å; L528-Y614 HydrophobicContact CD1-CG 3.54Å
529I95.9Very high95.5Very high47 Ų4757.6 Ų57.624%0.24127%0.27CS..Hα-helixtrans-59.8-44.1174-69.6165.9000110.5L377 R525 K526 W532 D533L377-I529 HydrophobicContact CB-CG1 3.96Å; L377-I529 HydrophobicContact CD1-CG1 4.29Å; L377-I529 HydrophobicContact CG-CG1 4.5Å; R525-I529 HydrophobicContact CG-CD1 4.03Å; R525-I529 WeakPolarHBondContact O-CG1 3.46Å; R525-I529 PolarHBondContact O-N 2.93Å; K526-I529 PolarHBondContact O-N 2.88Å; I529-W532 WeakPolarHBondContact O-CB 3.43Å; I529-W532 PolarHBondContact O-N 3.49Å; I529-D533 PolarHBondContact O-N 3.37Å
530R96.7Very high95.6Very high125 Ų12557.2 Ų57.247%0.47227%0.268SS..Hα-helixtrans-60.7-48.7177.2-174.4-173.468.8-156.5-5.3112K526 D527 L528 W532 D533 E534K526-R530 PolarHBondContact O-N 2.95Å; D527-R530 PolarHBondContact O-N 3.44Å; L528-R530 VanDerWaalsContact C-N 3.33Å; L528-R530 PolarHBondContact O-N 2.82Å; R530-W532 PolarHBondContact O-N 3.47Å; R530-D533 PolarHBondContact O-N 2.88Å; R530-E534 IonicContact NE-OE1 3.34Å; R530-E534 WeakPolarHBondContact O-CG 3.46Å; R530-E534 PolarHBondContact O-N 3.29Å
531I96.3Very high95.7Very high0 Ų055.2 Ų55.20%026%0.259CS..Hα-helixtrans-62.6-37.3178.8-65.9164.7000110.6D527 L528 E534 L535 Q606 L607 K610D527-I531 WeakPolarHBondContact O-CG1 3.3Å; D527-I531 PolarHBondContact O-N 3.47Å; L528-I531 PolarHBondContact O-N 3.28Å; I531-E534 PolarHBondContact O-N 3.23Å; I531-L535 HydrophobicContact CG2-CD1 4.16Å; I531-L535 WeakPolarHBondContact O-CG 3.18Å; I531-L535 PolarHBondContact O-N 3.2Å; I531-Q606 HydrophobicContact CD1-CB 3.95Å; I531-L607 HydrophobicContact CB-CD1 4.44Å; I531-L607 HydrophobicContact CG2-CB 3.94Å; I531-L607 HydrophobicContact CG2-CD1 3.97Å; I531-K610 HydrophobicContact CD1-CD 3.64Å
532W93.8Very high95.7Very high22 Ų2255.5 Ų55.58%0.08326%0.26CS..Hα-helixtrans-61.4-47.9175.7169.6-102.6000112.2M368 F373 P374 L377 L528 I529 R530 E534 L535 I536M368-W532 HydrophobicContact CE-CH2 3.52Å; M368-W532 HydrophobicContact CE-CZ2 4.41Å; M368-W532 HydrophobicContact CE-CZ3 4.32Å; M368-W532 HydrophobicContact CG-CH2 3.66Å; M368-W532 HydrophobicContact CG-CZ3 3.46Å; M368-W532 VanDerWaalsContact CG-CZ3 3.46Å; M368-W532 HydrophobicContact SD-CH2 3.61Å; M368-W532 HydrophobicContact SD-CZ3 3.9Å; F373-W532 HydrophobicContact CB-CE3 4.16Å; F373-W532 HydrophobicContact CB-CH2 4.38Å; F373-W532 HydrophobicContact CB-CZ3 4.09Å; F373-W532 HydrophobicContact CD2-CE3 4.4Å; P374-W532 HydrophobicContact CB-CZ2 4.04Å; P374-W532 HydrophobicContact CG-CZ2 4.27Å; L377-W532 HydrophobicContact CD1-CB 4.07Å; L377-W532 HydrophobicContact CD1-CG 4.26Å; L528-W532 WeakPolarHBondContact O-CB 3.5Å; L528-W532 PolarHBondContact O-N 3.2Å; I529-W532 WeakPolarHBondContact O-CB 3.43Å; I529-W532 PolarHBondContact O-N 3.49Å; R530-W532 PolarHBondContact O-N 3.47Å; W532-E534 VanDerWaalsContact C-N 3.31Å; W532-E534 PolarHBondContact O-N 2.95Å; W532-L535 WeakPolarHBondContact O-CB 3.19Å; W532-L535 PolarHBondContact O-N 3.45Å; W532-I536 HydrophobicContact CD2-CD1 4.12Å; W532-I536 HydrophobicContact CD2-CG1 4.42Å; W532-I536 HydrophobicContact CG-CD1 4.38Å; W532-I536 HydrophobicContact CH2-CD1 4.39Å; W532-I536 HydrophobicContact CH2-CG1 4.25Å; W532-I536 HydrophobicContact CZ2-CD1 3.52Å; W532-I536 HydrophobicContact CZ2-CG1 3.86Å; W532-I536 PolarHBondContact O-N 3.07Å
533D95.4Very high95.6Very high88 Ų8858.1 Ų58.147%0.47128%0.275SS..Hα-helixtrans-63.6-38.5177.3-68.3-23000111.6I529 R530 I536 M537I529-D533 PolarHBondContact O-N 3.37Å; R530-D533 PolarHBondContact O-N 2.88Å; D533-I536 PolarHBondContact O-N 3.21Å; D533-M537 WeakPolarHBondContact O-CB 3.38Å; D533-M537 PolarHBondContact O-N 3.31Å
534E97Very high95.5Very high79 Ų7958.6 Ų58.637%0.36928%0.278SS..Hα-helixtrans-63.3-40173.6-72.5171.7-171.300112R530 I531 W532 M537 N538 L603R530-E534 IonicContact NE-OE1 3.34Å; R530-E534 WeakPolarHBondContact O-CG 3.46Å; R530-E534 PolarHBondContact O-N 3.29Å; I531-E534 PolarHBondContact O-N 3.23Å; W532-E534 VanDerWaalsContact C-N 3.31Å; W532-E534 PolarHBondContact O-N 2.95Å; E534-M537 PolarHBondContact O-N 3.43Å; E534-N538 WeakPolarHBondContact O-CB 3.48Å; E534-N538 PolarHBondContact O-N 2.87Å; E534-L603 HydrophobicContact CB-CD1 3.97Å; E534-L603 HydrophobicContact CB-CD2 3.88Å; E534-L603 WeakPolarHBondContact OE2-CD2 3.25Å
535L96.4Very high95.5Very high0 Ų057.5 Ų57.50%027%0.273CS..Hα-helixtrans-66.1-41.9175.2-79.2167000112.5L364 I531 W532 M537 N538 K539 Q600 L603 L604 L607L364-L535 HydrophobicContact CD1-CB 4.27Å; L364-L535 HydrophobicContact CD1-CD1 4.19Å; L364-L535 HydrophobicContact CD1-CD2 4.18Å; L364-L535 HydrophobicContact CD1-CG 4.46Å; I531-L535 HydrophobicContact CG2-CD1 4.16Å; I531-L535 WeakPolarHBondContact O-CG 3.18Å; I531-L535 PolarHBondContact O-N 3.2Å; W532-L535 WeakPolarHBondContact O-CB 3.19Å; W532-L535 PolarHBondContact O-N 3.45Å; L535-M537 VanDerWaalsContact C-N 3.31Å; L535-N538 PolarHBondContact O-N 3.45Å; L535-K539 PolarHBondContact O-N 2.84Å; L535-Q600 HydrophobicContact CD2-CG 3.97Å; L535-L603 HydrophobicContact CD2-CB 3.45Å; L535-L603 VanDerWaalsContact CD2-CB 3.45Å; L535-L603 HydrophobicContact CD2-CD1 4Å; L535-L603 HydrophobicContact CD2-CG 4.39Å; L535-L603 HydrophobicContact CG-CB 3.78Å; L535-L603 HydrophobicContact CG-CD1 4.18Å; L535-L604 HydrophobicContact CD1-CD2 3.92Å; L535-L604 HydrophobicContact CD2-CD2 4.06Å; L535-L604 HydrophobicContact CD2-CG 4.06Å; L535-L607 HydrophobicContact CD1-CD2 3.93Å
536I95Very high95.4Very high56 Ų5658.7 Ų58.729%0.28728%0.281SS..Hα-helixtrans-60.9-45.4173.9-70.6166.2000109.8W532 D533 N538 K539 H540W532-I536 HydrophobicContact CD2-CD1 4.12Å; W532-I536 HydrophobicContact CD2-CG1 4.42Å; W532-I536 HydrophobicContact CG-CD1 4.38Å; W532-I536 HydrophobicContact CH2-CD1 4.39Å; W532-I536 HydrophobicContact CH2-CG1 4.25Å; W532-I536 HydrophobicContact CZ2-CD1 3.52Å; W532-I536 HydrophobicContact CZ2-CG1 3.86Å; W532-I536 PolarHBondContact O-N 3.07Å; D533-I536 PolarHBondContact O-N 3.21Å; I536-N538 PolarHBondContact O-N 2.78Å; I536-K539 WeakPolarHBondContact O-CB 3.15Å; I536-K539 PolarHBondContact O-N 3.27Å; I536-H540 VanDerWaalsContact CG2-CD2 3.4Å; I536-H540 WeakPolarHBondContact CG2-CD2 3.5Å; I536-H540 WeakPolarHBondContact CG2-NE2 3.32Å; I536-H540 PolarHBondContact O-CD2 3.45Å; I536-H540 PolarHBondContact O-N 2.89Å
537M96.4Very high95.3Very high108 Ų10858.8 Ų58.853%0.53228%0.281SS..Hα-helixtrans-61.5-45.5178.2-170.359.864.600111.7D533 E534 L535 K539 H540 Q541D533-M537 WeakPolarHBondContact O-CB 3.38Å; D533-M537 PolarHBondContact O-N 3.31Å; E534-M537 PolarHBondContact O-N 3.43Å; L535-M537 VanDerWaalsContact C-N 3.31Å; M537-K539 VanDerWaalsContact C-N 3.3Å; M537-K539 PolarHBondContact O-N 3.13Å; M537-H540 PolarHBondContact O-N 2.88Å; M537-H540 VanDerWaalsContact O-N 3.14Å; M537-Q541 WeakPolarHBondContact O-CG 3.47Å; M537-Q541 PolarHBondContact O-N 3.25Å
538N97.3Very high95Very high1 Ų159.9 Ų59.91%0.00529%0.286CS..Hα-helixtrans-59.2-39.3175.1175.9-87.7000112.2E534 L535 I536 Q541 R542 N596 E599 L603E534-N538 WeakPolarHBondContact O-CB 3.48Å; E534-N538 PolarHBondContact O-N 2.87Å; L535-N538 PolarHBondContact O-N 3.45Å; I536-N538 PolarHBondContact O-N 2.78Å; N538-Q541 PolarHBondContact O-N 3.37Å; N538-R542 PolarHBondContact OD1-NH2 3.1Å; N538-N596 PolarHBondContact ND2-ND2 3.05Å; N538-N596 PolarHBondContact ND2-O 3Å; N538-N596 PolarHBondContact O-ND2 3.17Å; N538-E599 PolarHBondContact ND2-OE2 3.42Å; N538-L603 HydrophobicContact CB-CD1 4.36Å
539K95.3Very high94.9Very high72 Ų7260 Ų6031%0.31329%0.286SS..Hα-helixtrans-62.9-46.1173.1-177.6176.2-177.3171.70111.3D361 L364 E365 L535 I536 M537 Q541 R542D361-K539 WeakPolarHBondContact OD1-CE 3.27Å; L364-K539 HydrophobicContact CD2-CB 4.14Å; L364-K539 HydrophobicContact CD2-CD 4.07Å; E365-K539 IonicContact OE1-NZ 2.69Å; E365-K539 PolarHBondContact OE1-NZ 3.44Å; L535-K539 PolarHBondContact O-N 2.84Å; I536-K539 WeakPolarHBondContact O-CB 3.15Å; I536-K539 PolarHBondContact O-N 3.27Å; M537-K539 VanDerWaalsContact C-N 3.3Å; M537-K539 PolarHBondContact O-N 3.13Å; K539-Q541 VanDerWaalsContact C-N 3.31Å; K539-Q541 PolarHBondContact O-N 3.45Å; K539-R542 WeakPolarHBondContact O-CB 3.38Å; K539-R542 WeakPolarHBondContact O-CG 3.41Å; K539-R542 PolarHBondContact O-N 3.29Å; K539-R542 VanDerWaalsContact O-N 3.1Å
540H95.1Very high94.6Very high115 Ų11563.2 Ų63.253%0.53230%0.304SS..Hα-helixtrans-62.5-36.3178.1-77-59.3000113.2I536 M537 R542 D543I536-H540 VanDerWaalsContact CG2-CD2 3.4Å; I536-H540 WeakPolarHBondContact CG2-CD2 3.5Å; I536-H540 WeakPolarHBondContact CG2-NE2 3.32Å; I536-H540 PolarHBondContact O-CD2 3.45Å; I536-H540 PolarHBondContact O-N 2.89Å; M537-H540 PolarHBondContact O-N 2.88Å; M537-H540 VanDerWaalsContact O-N 3.14Å; H540-R542 PolarHBondContact O-N 3.22Å; H540-R542 VanDerWaalsContact O-N 3.11Å; H540-D543 PolarHBondContact O-N 2.86Å
541Q95.7Very high94.3Very high77 Ų7762 Ų6236%0.3631%0.306SS..Hα-helixtrans-62.8-15.5175.8-71.6170.2-7.600113.4M537 N538 K539 D543 D544 V545M537-Q541 WeakPolarHBondContact O-CG 3.47Å; M537-Q541 PolarHBondContact O-N 3.25Å; N538-Q541 PolarHBondContact O-N 3.37Å; K539-Q541 VanDerWaalsContact C-N 3.31Å; K539-Q541 PolarHBondContact O-N 3.45Å; Q541-D543 VanDerWaalsContact C-N 3.27Å; Q541-D543 PolarHBondContact O-N 3Å; Q541-D544 PolarHBondContact O-N 3.42Å; Q541-V545 WeakPolarHBondContact O-CG2 3.48Å; Q541-V545 PolarHBondContact O-N 3.02Å; Q541-V545 VanDerWaalsContact O-N 3.1Å
542R94.8Very high94.1Very high6 Ų662.1 Ų62.12%0.02331%0.307CS..Hα-helixtrans-62.2-34.3176.1-68.1-177.7177133.325.9112.9L357 D361 N538 K539 H540 D544 V545 I546 N596 Q600L357-R542 HydrophobicContact CD2-CG 4.43Å; D361-R542 IonicContact OD1-CZ 2.74Å; D361-R542 IonicContact OD1-NH1 3.95Å; D361-R542 PolarHBondContact OD1-NH1 2.86Å; N538-R542 PolarHBondContact OD1-NH2 3.1Å; K539-R542 WeakPolarHBondContact O-CB 3.38Å; K539-R542 WeakPolarHBondContact O-CG 3.41Å; K539-R542 PolarHBondContact O-N 3.29Å; K539-R542 VanDerWaalsContact O-N 3.1Å; H540-R542 PolarHBondContact O-N 3.22Å; H540-R542 VanDerWaalsContact O-N 3.11Å; R542-D544 PolarHBondContact O-N 3.32Å; R542-V545 CarbonylContact O-C 3.6Å; R542-V545 PolarHBondContact O-N 3.07Å; R542-I546 WeakPolarHBondContact O-CB 3.17Å; R542-I546 VanDerWaalsContact O-CG1 3.24Å; R542-I546 WeakPolarHBondContact O-CG1 3.38Å; R542-I546 PolarHBondContact O-N 2.81Å; R542-N596 WeakPolarHBondContact CG-OD1 3.47Å; R542-N596 PolarHBondContact NE-OD1 3.48Å; R542-N596 VanDerWaalsContact NE-OD1 3.1Å; R542-Q600 VanDerWaalsContact NH2-CD 3.29Å
543D93.1Very high93.8Very high96 Ų9663.3 Ų63.351%0.51332%0.319SS..Hα-helixtrans-61.5-37.3178.5-69.5-22.4000110.8H540 Q541 I546 K547H540-D543 PolarHBondContact O-N 2.86Å; Q541-D543 VanDerWaalsContact C-N 3.27Å; Q541-D543 PolarHBondContact O-N 3Å; D543-I546 PolarHBondContact O-N 2.71Å; D543-K547 WeakPolarHBondContact O-CG 3.34Å; D543-K547 PolarHBondContact O-N 3.1Å
544D93.1Very high93.5Very high98 Ų9861 Ų6152%0.52431%0.306SS..Hα-helixtrans-74.6-36.7176.6-63.8-31.3000112.1Q541 R542 I546 K547 M548Q541-D544 PolarHBondContact O-N 3.42Å; R542-D544 PolarHBondContact O-N 3.32Å; D544-I546 VanDerWaalsContact C-N 3.3Å; D544-I546 PolarHBondContact O-N 3.41Å; D544-K547 PolarHBondContact O-N 3.31Å; D544-K547 IonicContact OD1-NZ 3.55Å; D544-K547 PolarHBondContact OD1-NZ 2.9Å; D544-M548 PolarHBondContact O-N 2.93Å
545V94Very high93Very high16 Ų1659.4 Ų59.410%0.09730%0.302CS..Hα-helixtrans-61.1-40.1170.8175.30000111L357 Q541 R542 M548 W549 C592 V593 N596L357-V545 HydrophobicContact CD1-CG1 4.24Å; Q541-V545 WeakPolarHBondContact O-CG2 3.48Å; Q541-V545 PolarHBondContact O-N 3.02Å; Q541-V545 VanDerWaalsContact O-N 3.1Å; R542-V545 CarbonylContact O-C 3.6Å; R542-V545 PolarHBondContact O-N 3.07Å; V545-M548 WeakPolarHBondContact O-CB 3.48Å; V545-M548 PolarHBondContact O-N 2.84Å; V545-W549 VanDerWaalsContact O-CD1 3.28Å; V545-C592 HydrophobicContact CG1-CB 4.29Å; V545-C592 HydrophobicContact CG2-CB 4.39Å; V545-V593 HydrophobicContact CG1-CB 4.35Å; V545-V593 HydrophobicContact CG1-CG2 3.54Å; V545-N596 HydrophobicContact CG2-CB 4.29Å
546I94.1Very high92.2Very high61 Ų6165.7 Ų65.731%0.31334%0.343SS..Hα-helixtrans-64.2-46.2177.3-74.1166000110.6F354 L357 R542 D543 D544 M548 W549F354-I546 HydrophobicContact CD1-CG1 4.44Å; F354-I546 HydrophobicContact CE1-CB 4.35Å; F354-I546 HydrophobicContact CE1-CG1 4.03Å; F354-I546 HydrophobicContact CE1-CG2 4.21Å; F354-I546 HydrophobicContact CE2-CG2 4.28Å; F354-I546 HydrophobicContact CZ-CB 4.35Å; F354-I546 HydrophobicContact CZ-CG1 4.34Å; F354-I546 HydrophobicContact CZ-CG2 3.72Å; L357-I546 HydrophobicContact CD1-CG1 4Å; R542-I546 WeakPolarHBondContact O-CB 3.17Å; R542-I546 VanDerWaalsContact O-CG1 3.24Å; R542-I546 WeakPolarHBondContact O-CG1 3.38Å; R542-I546 PolarHBondContact O-N 2.81Å; D543-I546 PolarHBondContact O-N 2.71Å; D544-I546 VanDerWaalsContact C-N 3.3Å; D544-I546 PolarHBondContact O-N 3.41Å; I546-M548 PolarHBondContact O-N 3.24Å; I546-W549 WeakPolarHBondContact O-CB 3.45Å; I546-W549 PolarHBondContact O-N 3.23Å
547K92.7Very high91.5Very high119 Ų11967.5 Ų67.552%0.51735%0.353SS..Hα-helixtrans-58.4-30.8176.8-71.2169.2-160.9156.30113.1D543 D544 W549 D550D543-K547 WeakPolarHBondContact O-CG 3.34Å; D543-K547 PolarHBondContact O-N 3.1Å; D544-K547 PolarHBondContact O-N 3.31Å; D544-K547 IonicContact OD1-NZ 3.55Å; D544-K547 PolarHBondContact OD1-NZ 2.9Å; K547-W549 PolarHBondContact O-N 3.43Å; K547-D550 WeakPolarHBondContact O-CB 3.36Å; K547-D550 PolarHBondContact O-N 3.36Å; K547-D550 VanDerWaalsContact O-N 3.07Å
548M91.5Very high91.1Very high72 Ų7262.7 Ų62.736%0.35533%0.33SS..Hα-helixtrans-59.8-28.4176.6-165.664.7-174.400112.4D544 V545 I546 D550 L551 A589D544-M548 PolarHBondContact O-N 2.93Å; V545-M548 WeakPolarHBondContact O-CB 3.48Å; V545-M548 PolarHBondContact O-N 2.84Å; I546-M548 PolarHBondContact O-N 3.24Å; M548-D550 VanDerWaalsContact C-N 3.26Å; M548-D550 PolarHBondContact O-N 3.34Å; M548-L551 HydrophobicContact CE-CD1 3.8Å; M548-L551 WeakPolarHBondContact O-CB 3.32Å; M548-L551 PolarHBondContact O-N 3.23Å; M548-L551 HydrophobicContact SD-CD1 3.67Å; M548-A589 HydrophobicContact CG-CB 4.38Å
549W93.6Very high90.4Very high2 Ų263.7 Ų63.71%0.00834%0.335CS..G310 helixtrans-71.5-16.9178.1-7289.3000113.8I349 I350 E353 F354 V545 I546 K547 L551 V552 V586 A589 R590 V593I349-W549 HydrophobicContact CG2-CH2 4.09Å; I349-W549 HydrophobicContact CG2-CZ3 3.81Å; I350-W549 HydrophobicContact CG1-CD2 4.46Å; I350-W549 HydrophobicContact CG1-CE3 3.68Å; I350-W549 HydrophobicContact CG1-CZ3 4.27Å; E353-W549 HydrophobicContact CB-CH2 4.08Å; E353-W549 HydrophobicContact CB-CZ2 3.6Å; E353-W549 HydrophobicContact CG-CH2 3.54Å; E353-W549 HydrophobicContact CG-CZ2 3.5Å; F354-W549 HydrophobicContact CE1-CB 4.04Å; F354-W549 AromaticContact CE1-CD1 3.53Å; F354-W549 HydrophobicContact CE1-CD2 4.48Å; F354-W549 AromaticContact CE1-CG 3.73Å; F354-W549 HydrophobicContact CE1-CG 3.73Å; F354-W549 HydrophobicContact CZ-CB 4.05Å; F354-W549 HydrophobicContact CZ-CG 4.25Å; V545-W549 VanDerWaalsContact O-CD1 3.28Å; I546-W549 WeakPolarHBondContact O-CB 3.45Å; I546-W549 PolarHBondContact O-N 3.23Å; K547-W549 PolarHBondContact O-N 3.43Å; W549-L551 PolarHBondContact O-N 2.97Å; W549-V552 HydrophobicContact CD2-CG2 4.5Å; W549-V552 HydrophobicContact CE3-CB 4.23Å; W549-V552 HydrophobicContact CE3-CG2 3.72Å; W549-V552 HydrophobicContact CZ3-CG2 4.12Å; W549-V552 WeakPolarHBondContact O-CB 3.32Å; W549-V552 PolarHBondContact O-N 3.49Å; W549-V586 HydrophobicContact CH2-CG1 4.29Å; W549-V586 HydrophobicContact CZ3-CG1 4.47Å; W549-V586 HydrophobicContact CZ3-CG2 4.27Å; W549-A589 HydrophobicContact CD2-CB 3.88Å; W549-A589 HydrophobicContact CE3-CB 4.18Å; W549-A589 HydrophobicContact CG-CB 4.43Å; W549-A589 HydrophobicContact CH2-CB 3.99Å; W549-A589 HydrophobicContact CZ2-CB 3.66Å; W549-A589 HydrophobicContact CZ3-CB 4.24Å; W549-R590 HydrophobicContact CH2-CG 4.09Å; W549-R590 HydrophobicContact CZ2-CG 4.26Å; W549-V593 HydrophobicContact CZ2-CG2 4.14Å
550D90.3Very high89.7Confident114 Ų11466.2 Ų66.261%0.6135%0.348SS*.G310 helixtrans-63.9-28173.4-65.7-30.1000111.7K547 M548 V552K547-D550 WeakPolarHBondContact O-CB 3.36Å; K547-D550 PolarHBondContact O-N 3.36Å; K547-D550 VanDerWaalsContact O-N 3.07Å; M548-D550 VanDerWaalsContact C-N 3.26Å; M548-D550 PolarHBondContact O-N 3.34Å; D550-V552 VanDerWaalsContact C-N 3.26Å; D550-V552 PolarHBondContact O-N 3.14Å
551L89Confident89.2Confident100 Ų10063.9 Ų63.952%0.52434%0.342SS..G310 helixtrans-71.9-20.9176-59.1178.7000112.7M548 W549 C553 K585M548-L551 HydrophobicContact CE-CD1 3.8Å; M548-L551 WeakPolarHBondContact O-CB 3.32Å; M548-L551 PolarHBondContact O-N 3.23Å; M548-L551 HydrophobicContact SD-CD1 3.67Å; W549-L551 PolarHBondContact O-N 2.97Å; L551-C553 PolarHBondContact O-N 3.14Å; L551-K585 VanDerWaalsContact O-CD 3.29Å; L551-K585 WeakPolarHBondContact O-CD 3.17Å; L551-K585 WeakPolarHBondContact O-CE 3.37Å; L551-K585 PolarHBondContact O-NZ 3.27Å
552V91.6Very high88.8Confident2 Ų260.4 Ų60.41%0.01233%0.326CS..  trans-7772.7175.1-172.20000108.3R346 W549 D550 F582 K585 V586 A589R346-V552 PolarHBondContact NE-O 2.82Å; R346-V552 PolarHBondContact NH2-O 3.46Å; W549-V552 HydrophobicContact CD2-CG2 4.5Å; W549-V552 HydrophobicContact CE3-CB 4.23Å; W549-V552 HydrophobicContact CE3-CG2 3.72Å; W549-V552 HydrophobicContact CZ3-CG2 4.12Å; W549-V552 WeakPolarHBondContact O-CB 3.32Å; W549-V552 PolarHBondContact O-N 3.49Å; D550-V552 VanDerWaalsContact C-N 3.26Å; D550-V552 PolarHBondContact O-N 3.14Å; V552-F582 HydrophobicContact CG1-CD1 3.97Å; V552-K585 HydrophobicContact CG2-CB 4.12Å; V552-V586 HydrophobicContact CG1-CG2 3.63Å; V552-V586 HydrophobicContact CG2-CG2 4.47Å; V552-A589 HydrophobicContact CG2-CB 4.32Å
553C89.4Confident88.2Confident48 Ų4860.8 Ų60.832%0.32433%0.329SS..  trans-124.1158.2178.864.50000111.1L551 K585L551-C553 PolarHBondContact O-N 3.14Å; C553-K585 PolarHBondContact O-NZ 3.49Å
554L87.8Confident87.7Confident38 Ų3862.8 Ų62.820%0.19933%0.333CS..  trans-64.9140.2173.7-70.6172.8000110.2L339 A342 N343 F558 T581 F582L339-L554 HydrophobicContact CD1-CD1 3.75Å; A342-L554 HydrophobicContact CB-CD2 4.14Å; N343-L554 HydrophobicContact CB-CD1 4.47Å; L554-F558 HydrophobicContact CB-CB 4.46Å; L554-F558 HydrophobicContact CB-CD1 4.42Å; L554-F558 HydrophobicContact CD1-CD1 4.02Å; L554-F558 HydrophobicContact CD1-CE1 4.23Å; L554-F558 HydrophobicContact CD2-CD1 3.67Å; L554-F558 HydrophobicContact CD2-CD2 4.35Å; L554-F558 HydrophobicContact CD2-CE1 3.56Å; L554-F558 HydrophobicContact CD2-CE2 4.29Å; L554-F558 HydrophobicContact CD2-CG 4.06Å; L554-F558 HydrophobicContact CD2-CZ 3.89Å; L554-F558 HydrophobicContact CG-CD1 4.26Å; L554-F558 HydrophobicContact CG-CE1 4.48Å; L554-T581 HydrophobicContact CD2-CG2 4Å; L554-F582 HydrophobicContact CD2-CE1 3.86Å; L554-F582 HydrophobicContact CD2-CE2 4.11Å; L554-F582 HydrophobicContact CD2-CZ 3.29Å; L554-F582 HydrophobicContact CG-CE1 4.29Å; L554-F582 HydrophobicContact CG-CZ 3.88Å
555P87.2Confident87.2Confident46 Ų4661.4 Ų61.430%0.29932%0.321SS..  trans-58.2146.6172.5-23.633000112.1N557 F558 T581P555-N557 PolarHBondContact O-N 3.46Å; P555-N557 VanDerWaalsContact O-N 3.16Å; P555-F558 HydrophobicContact CB-CB 4.41Å; P555-F558 WeakPolarHBondContact O-CB 3.41Å; P555-F558 PolarHBondContact O-N 2.88Å; P555-T581 HydrophobicContact CG-CG2 4.12Å
556P80.1Confident86.8Confident133 Ų13364 Ų6486%0.86433%0.329SS*.THydrogen-bonded Turntrans-61.7-27.5-178.423.9-34000113.5
557N80.5Confident86.1Confident93 Ų9369.5 Ų69.550%0.49735%0.346SS..THydrogen-bonded Turntrans-99.121.2177.764.7-20.8000113.1P555 V559 H560 T561P555-N557 PolarHBondContact O-N 3.46Å; P555-N557 VanDerWaalsContact O-N 3.16Å; N557-V559 PolarHBondContact O-N 3.06Å; N557-H560 PolarHBondContact O-N 3.43Å; N557-T561 PolarHBondContact O-N 3.21Å; N557-T561 PolarHBondContact O-OG1 2.81Å
558F87.3Confident85.6Confident8 Ų868.6 Ų68.64%0.03535%0.351CS..Hα-helixtrans-62.9-42.8-173.9-176-117.3000112.6L339 A342 L554 P555 H560 T561 L562 V577 T581L339-F558 HydrophobicContact CD1-CD1 3.69Å; L339-F558 HydrophobicContact CD1-CE1 4.01Å; A342-F558 HydrophobicContact CB-CE1 3.86Å; A342-F558 HydrophobicContact CB-CZ 3.95Å; L554-F558 HydrophobicContact CB-CB 4.46Å; L554-F558 HydrophobicContact CB-CD1 4.42Å; L554-F558 HydrophobicContact CD1-CD1 4.02Å; L554-F558 HydrophobicContact CD1-CE1 4.23Å; L554-F558 HydrophobicContact CD2-CD1 3.67Å; L554-F558 HydrophobicContact CD2-CD2 4.35Å; L554-F558 HydrophobicContact CD2-CE1 3.56Å; L554-F558 HydrophobicContact CD2-CE2 4.29Å; L554-F558 HydrophobicContact CD2-CG 4.06Å; L554-F558 HydrophobicContact CD2-CZ 3.89Å; L554-F558 HydrophobicContact CG-CD1 4.26Å; L554-F558 HydrophobicContact CG-CE1 4.48Å; P555-F558 HydrophobicContact CB-CB 4.41Å; P555-F558 WeakPolarHBondContact O-CB 3.41Å; P555-F558 PolarHBondContact O-N 2.88Å; F558-H560 VanDerWaalsContact C-N 3.31Å; F558-H560 PolarHBondContact O-N 3.21Å; F558-T561 WeakPolarHBondContact O-CA 3.25Å; F558-T561 WeakPolarHBondContact O-CB 3.31Å; F558-T561 PolarHBondContact O-N 2.93Å; F558-T561 VanDerWaalsContact O-N 3.08Å; F558-L562 HydrophobicContact CD1-CD1 3.9Å; F558-L562 HydrophobicContact CD1-CG 4.34Å; F558-L562 HydrophobicContact CE1-CD1 3.55Å; F558-L562 HydrophobicContact CE1-CD2 4.43Å; F558-L562 HydrophobicContact CE1-CG 4.07Å; F558-L562 HydrophobicContact CE2-CD2 4.27Å; F558-L562 HydrophobicContact CE2-CG 4.28Å; F558-L562 HydrophobicContact CZ-CD1 3.96Å; F558-L562 HydrophobicContact CZ-CD2 3.98Å; F558-L562 HydrophobicContact CZ-CG 4.04Å; F558-L562 WeakPolarHBondContact O-CG 3.37Å; F558-L562 PolarHBondContact O-N 3.38Å; F558-V577 HydrophobicContact CE2-CG1 3.83Å; F558-V577 HydrophobicContact CZ-CG1 3.55Å; F558-T581 HydrophobicContact CD2-CG2 4.15Å; F558-T581 HydrophobicContact CE2-CG2 3.88Å; F558-T581 VanDerWaalsContact CE2-OG1 3.3Å; F558-T581 WeakPolarHBondContact CE2-OG1 3.32Å
559V83.3Confident85.2Confident21 Ų2171.1 Ų71.113%0.12736%0.362CS..Hα-helixtrans-59.6-41.7176.71780000111.7V331 V335 L339 N557 L562 T563V331-V559 HydrophobicContact CG1-CG1 3.6Å; V335-V559 HydrophobicContact CG1-CG1 4.19Å; L339-V559 HydrophobicContact CD1-CG2 4.24Å; L339-V559 HydrophobicContact CD2-CG2 3.98Å; N557-V559 PolarHBondContact O-N 3.06Å; V559-L562 PolarHBondContact O-N 3.03Å; V559-T563 WeakPolarHBondContact O-CB 3.4Å; V559-T563 PolarHBondContact O-N 2.9Å; V559-T563 PolarHBondContact O-OG1 3.07Å
560H79.7Confident84.5Confident125 Ų12573.1 Ų73.158%0.57938%0.383SS*.Hα-helixtrans-65.4-40.7175.3-173.180.2000111.7N557 F558 T563 K564N557-H560 PolarHBondContact O-N 3.43Å; F558-H560 VanDerWaalsContact C-N 3.31Å; F558-H560 PolarHBondContact O-N 3.21Å; H560-T563 PolarHBondContact O-N 3.38Å; H560-K564 WeakPolarHBondContact O-CB 3.48Å; H560-K564 PolarHBondContact O-N 3.4Å
561T84.4Confident84.3Confident66 Ų6675.3 Ų75.341%0.40539%0.389SS..Hα-helixtrans-60.5-47176.2-56.50000110.8N557 F558 K564 W565N557-T561 PolarHBondContact O-N 3.21Å; N557-T561 PolarHBondContact O-OG1 2.81Å; F558-T561 WeakPolarHBondContact O-CA 3.25Å; F558-T561 WeakPolarHBondContact O-CB 3.31Å; F558-T561 PolarHBondContact O-N 2.93Å; F558-T561 VanDerWaalsContact O-N 3.08Å; T561-K564 PolarHBondContact O-N 3.44Å; T561-W565 WeakPolarHBondContact O-CB 3.49Å; T561-W565 PolarHBondContact O-N 3.29Å
562L87.4Confident84.2Confident4 Ų471.3 Ų71.32%0.02137%0.368CS..Hα-helixtrans-61.2-44.2174.7-70.6178.4000112.3V335 A338 L339 F558 V559 K564 W565 Y566 I572 V577V335-L562 HydrophobicContact CG1-CB 3.76Å; V335-L562 HydrophobicContact CG1-CD1 4.22Å; A338-L562 HydrophobicContact CB-CD1 4.14Å; A338-L562 HydrophobicContact CB-CD2 4.27Å; L339-L562 HydrophobicContact CB-CD1 4.32Å; F558-L562 HydrophobicContact CD1-CD1 3.9Å; F558-L562 HydrophobicContact CD1-CG 4.34Å; F558-L562 HydrophobicContact CE1-CD1 3.55Å; F558-L562 HydrophobicContact CE1-CD2 4.43Å; F558-L562 HydrophobicContact CE1-CG 4.07Å; F558-L562 HydrophobicContact CE2-CD2 4.27Å; F558-L562 HydrophobicContact CE2-CG 4.28Å; F558-L562 HydrophobicContact CZ-CD1 3.96Å; F558-L562 HydrophobicContact CZ-CD2 3.98Å; F558-L562 HydrophobicContact CZ-CG 4.04Å; F558-L562 WeakPolarHBondContact O-CG 3.37Å; F558-L562 PolarHBondContact O-N 3.38Å; V559-L562 PolarHBondContact O-N 3.03Å; L562-K564 PolarHBondContact O-N 3.31Å; L562-W565 WeakPolarHBondContact O-CB 3.29Å; L562-W565 PolarHBondContact O-N 3.18Å; L562-Y566 WeakPolarHBondContact O-CB 3.45Å; L562-Y566 PolarHBondContact O-N 2.93Å; L562-I572 HydrophobicContact CB-CD1 4.5Å; L562-I572 HydrophobicContact CD2-CG2 4.25Å; L562-V577 HydrophobicContact CD2-CB 4.49Å; L562-V577 HydrophobicContact CD2-CG1 3.55Å; L562-V577 HydrophobicContact CD2-CG2 4.12Å
563T81.9Confident84.1Confident14 Ų1475 Ų759%0.08639%0.388CS..Hα-helixtrans-62.7-43.4179.1-57.80000111.3V559 H560 W565 R567V559-T563 WeakPolarHBondContact O-CB 3.4Å; V559-T563 PolarHBondContact O-N 2.9Å; V559-T563 PolarHBondContact O-OG1 3.07Å; H560-T563 PolarHBondContact O-N 3.38Å; T563-W565 VanDerWaalsContact C-N 3.34Å; T563-R567 WeakPolarHBondContact O-CB 3.47Å; T563-R567 VanDerWaalsContact O-CG 3.28Å; T563-R567 WeakPolarHBondContact O-CG 3.43Å; T563-R567 PolarHBondContact O-N 3.1Å
564K82.3Confident84Confident139 Ų13975.2 Ų75.260%0.60438%0.384SS*.Hα-helixtrans-62-44.2174.2-177.6178.3178.6179.30110.9H560 T561 L562 R567 T568H560-K564 WeakPolarHBondContact O-CB 3.48Å; H560-K564 PolarHBondContact O-N 3.4Å; T561-K564 PolarHBondContact O-N 3.44Å; L562-K564 PolarHBondContact O-N 3.31Å; K564-R567 PolarHBondContact O-N 3.14Å; K564-T568 PolarHBondContact O-N 3.42Å; K564-T568 VanDerWaalsContact O-N 3.09Å; K564-T568 PolarHBondContact O-OG1 2.68Å; K564-T568 VanDerWaalsContact O-OG1 3.07Å
565W83.3Confident84Confident68 Ų6879.3 Ų79.326%0.25841%0.406SS..Hα-helixtrans-61-49.8179.2-146.777.8000111.6T561 L562 T563 R567 T568 Q569 E571 I572 N573T561-W565 WeakPolarHBondContact O-CB 3.49Å; T561-W565 PolarHBondContact O-N 3.29Å; L562-W565 WeakPolarHBondContact O-CB 3.29Å; L562-W565 PolarHBondContact O-N 3.18Å; T563-W565 VanDerWaalsContact C-N 3.34Å; W565-R567 VanDerWaalsContact C-N 3.33Å; W565-R567 PolarHBondContact O-N 3.37Å; W565-T568 PolarHBondContact O-N 2.88Å; W565-T568 VanDerWaalsContact O-N 3.08Å; W565-Q569 HydrophobicContact CD2-CG 4.25Å; W565-Q569 HydrophobicContact CE3-CB 4.41Å; W565-Q569 HydrophobicContact CE3-CG 4.34Å; W565-Q569 HydrophobicContact CZ3-CB 4.48Å; W565-Q569 PolarHBondContact O-N 3.25Å; W565-E571 VanDerWaalsContact CZ3-O 3.25Å; W565-E571 WeakPolarHBondContact CZ3-O 3.32Å; W565-I572 HydrophobicContact CE3-CG2 4.36Å; W565-N573 HydrophobicContact CH2-CB 4.03Å; W565-N573 HydrophobicContact CZ3-CB 4.34Å
566Y84.7Confident84Confident70 Ų7081.6 Ų81.628%0.27541%0.413SS..Hα-helixtrans-58.1-42.4176.6-178.3-113.4000112.4P332 P334 V335 L562 T568 G570 I572P332-Y566 HydrophobicContact CB-CD1 4.19Å; P332-Y566 HydrophobicContact CB-CE1 3.9Å; P332-Y566 HydrophobicContact CG-CD1 4.23Å; P332-Y566 HydrophobicContact CG-CE1 4.21Å; P334-Y566 HydrophobicContact CB-CD2 4.1Å; P334-Y566 HydrophobicContact CB-CE2 3.81Å; P334-Y566 HydrophobicContact CG-CE2 3.76Å; V335-Y566 HydrophobicContact CG2-CD1 4.48Å; V335-Y566 HydrophobicContact CG2-CG 4.38Å; L562-Y566 WeakPolarHBondContact O-CB 3.45Å; L562-Y566 PolarHBondContact O-N 2.93Å; Y566-T568 VanDerWaalsContact C-N 3.31Å; Y566-T568 PolarHBondContact O-N 2.73Å; Y566-G570 WeakPolarHBondContact CE2-O 3.29Å; Y566-G570 VanDerWaalsContact O-CA 3.28Å; Y566-G570 WeakPolarHBondContact O-CA 3.37Å; Y566-G570 PolarHBondContact O-N 3.37Å; Y566-I572 HydrophobicContact CD2-CD1 4.33Å; Y566-I572 HydrophobicContact CD2-CG1 3.87Å; Y566-I572 HydrophobicContact CG-CD1 4.43Å; Y566-I572 HydrophobicContact CG-CG1 4.33Å
567R79.6Confident84.3Confident177 Ų17775.9 Ų75.967%0.66838%0.376SS*.Hα-helixtrans-65-32.2176.3-74.2174.4-179.6175.2-0.7113.4T563 K564 W565T563-R567 WeakPolarHBondContact O-CB 3.47Å; T563-R567 VanDerWaalsContact O-CG 3.28Å; T563-R567 WeakPolarHBondContact O-CG 3.43Å; T563-R567 PolarHBondContact O-N 3.1Å; K564-R567 PolarHBondContact O-N 3.14Å; W565-R567 VanDerWaalsContact C-N 3.33Å; W565-R567 PolarHBondContact O-N 3.37Å
568T83Confident84.7Confident100 Ų10071.9 Ų71.961%0.61335%0.354SS*.Hα-helixtrans-85-37.2-179.2-55.30000112.6K564 W565 Y566K564-T568 PolarHBondContact O-N 3.42Å; K564-T568 VanDerWaalsContact O-N 3.09Å; K564-T568 PolarHBondContact O-OG1 2.68Å; K564-T568 VanDerWaalsContact O-OG1 3.07Å; W565-T568 PolarHBondContact O-N 2.88Å; W565-T568 VanDerWaalsContact O-N 3.08Å; Y566-T568 VanDerWaalsContact C-N 3.31Å; Y566-T568 PolarHBondContact O-N 2.73Å
569Q82.6Confident84.7Confident126 Ų12674.3 Ų74.359%0.58937%0.373SS*.Hα-helixtrans-105.3-17.2-171.9-60.1-62.2-3100114W565 E571W565-Q569 HydrophobicContact CD2-CG 4.25Å; W565-Q569 HydrophobicContact CE3-CB 4.41Å; W565-Q569 HydrophobicContact CE3-CG 4.34Å; W565-Q569 HydrophobicContact CZ3-CB 4.48Å; W565-Q569 PolarHBondContact O-N 3.25Å; Q569-E571 PolarHBondContact O-N 2.97Å
570G79.9Confident84.9Confident44 Ų4480.8 Ų80.845%0.45440%0.399SS..SBendtrans79.4-21.8-177.500000115.2Y566Y566-G570 WeakPolarHBondContact CE2-O 3.29Å; Y566-G570 VanDerWaalsContact O-CA 3.28Å; Y566-G570 WeakPolarHBondContact O-CA 3.37Å; Y566-G570 PolarHBondContact O-N 3.37Å
571E85.9Confident85.3Confident160 Ų16076.4 Ų76.475%0.74838%0.381SS*.SBendtrans-135.5161.5177.6-67.4-174.8171.500111W565 Q569W565-E571 VanDerWaalsContact CZ3-O 3.25Å; W565-E571 WeakPolarHBondContact CZ3-O 3.32Å; Q569-E571 PolarHBondContact O-N 2.97Å
572I86.5Confident85.6Confident16 Ų1673.5 Ų73.58%0.08236%0.363CS..  trans-115.8113.8175.9-52.8-173.4000110P334 V335 A338 L562 W565 Y566 H574 V577P334-I572 HydrophobicContact CB-CD1 4.38Å; P334-I572 WeakPolarHBondContact O-CD1 3.37Å; V335-I572 HydrophobicContact CB-CD1 4.37Å; V335-I572 HydrophobicContact CG2-CD1 3.88Å; A338-I572 HydrophobicContact CB-CB 4.32Å; A338-I572 HydrophobicContact CB-CD1 3.99Å; A338-I572 HydrophobicContact CB-CG2 3.67Å; L562-I572 HydrophobicContact CB-CD1 4.5Å; L562-I572 HydrophobicContact CD2-CG2 4.25Å; W565-I572 HydrophobicContact CE3-CG2 4.36Å; Y566-I572 HydrophobicContact CD2-CD1 4.33Å; Y566-I572 HydrophobicContact CD2-CG1 3.87Å; Y566-I572 HydrophobicContact CG-CD1 4.43Å; Y566-I572 HydrophobicContact CG-CG1 4.33Å; I572-H574 PolarHBondContact O-N 3.04Å; I572-V577 HydrophobicContact CG2-CG2 3.82Å
573N88.9Confident85.8Confident79 Ų7980 Ų8042%0.42239%0.387SS..  trans-80.699.2171.2-175.8-22.6000109.6W565 N575 E576 V577W565-N573 HydrophobicContact CH2-CB 4.03Å; W565-N573 HydrophobicContact CZ3-CB 4.34Å; N573-N575 VanDerWaalsContact C-N 3.27Å; N573-N575 PolarHBondContact O-N 3.11Å; N573-N575 PolarHBondContact OD1-N 3.33Å; N573-E576 HydrophobicContact CB-CB 4.04Å; N573-E576 PolarHBondContact O-N 3.38Å; N573-E576 PolarHBondContact OD1-N 2.91Å; N573-V577 WeakPolarHBondContact O-CG2 3.32Å; N573-V577 PolarHBondContact O-N 3.5Å
574H87.5Confident86.2Confident52 Ų5285.3 Ų85.324%0.24142%0.415CS..Hα-helixtrans-56.1-39-175.9-51.9-60.8000113.4I341 I572 T578I341-H574 HydrophobicContact CD1-CB 4.34Å; I341-H574 HydrophobicContact CG2-CB 3.93Å; I572-H574 PolarHBondContact O-N 3.04Å; H574-T578 VanDerWaalsContact O-CB 3.25Å; H574-T578 WeakPolarHBondContact O-CB 3.37Å; H574-T578 PolarHBondContact O-N 3.2Å; H574-T578 PolarHBondContact O-OG1 3.31Å
575N87Confident86.7Confident124 Ų12482.7 Ų82.766%0.66340%0.404SS*.Hα-helixtrans-68.9-44.8-178.5-72.7-23.6000111.4N573 S579N573-N575 VanDerWaalsContact C-N 3.27Å; N573-N575 PolarHBondContact O-N 3.11Å; N573-N575 PolarHBondContact OD1-N 3.33Å; N575-S579 WeakPolarHBondContact O-CB 3.37Å; N575-S579 PolarHBondContact O-N 3.47Å; N575-S579 PolarHBondContact O-OG 3.2Å
576E88Confident87.2Confident95 Ų9579.7 Ų79.744%0.44439%0.393SS..Hα-helixtrans-64.2-46.4179.3-174.2-176.2168.400111N573 S579 K580N573-E576 HydrophobicContact CB-CB 4.04Å; N573-E576 PolarHBondContact O-N 3.38Å; N573-E576 PolarHBondContact OD1-N 2.91Å; E576-S579 PolarHBondContact O-N 2.78Å; E576-K580 VanDerWaalsContact O-CB 3.24Å; E576-K580 WeakPolarHBondContact O-CB 3.44Å; E576-K580 PolarHBondContact O-N 3.12Å
577V86.8Confident87.6Confident13 Ų1379.9 Ų79.98%0.07940%0.399CS..Hα-helixtrans-57.5-53.7177.8166.20000110.7F558 L562 I572 N573 S579 K580 T581F558-V577 HydrophobicContact CE2-CG1 3.83Å; F558-V577 HydrophobicContact CZ-CG1 3.55Å; L562-V577 HydrophobicContact CD2-CB 4.49Å; L562-V577 HydrophobicContact CD2-CG1 3.55Å; L562-V577 HydrophobicContact CD2-CG2 4.12Å; I572-V577 HydrophobicContact CG2-CG2 3.82Å; N573-V577 WeakPolarHBondContact O-CG2 3.32Å; N573-V577 PolarHBondContact O-N 3.5Å; V577-S579 PolarHBondContact O-N 3.19Å; V577-K580 PolarHBondContact O-N 3.29Å; V577-T581 VanDerWaalsContact O-CB 3.27Å; V577-T581 WeakPolarHBondContact O-CB 3.22Å; V577-T581 PolarHBondContact O-N 2.98Å; V577-T581 PolarHBondContact O-OG1 3.42Å
578T87.6Confident88.3Confident8 Ų873.4 Ų73.45%0.04938%0.383CS..Hα-helixtrans-63.8-45.5-176.5-57.50000111T345 H574 K580 T581 F582T345-T578 HydrophobicContact CG2-CG2 3.48Å; T345-T578 VanDerWaalsContact CG2-CG2 3.48Å; H574-T578 VanDerWaalsContact O-CB 3.25Å; H574-T578 WeakPolarHBondContact O-CB 3.37Å; H574-T578 PolarHBondContact O-N 3.2Å; H574-T578 PolarHBondContact O-OG1 3.31Å; T578-K580 PolarHBondContact O-N 3.46Å; T578-T581 PolarHBondContact O-N 2.9Å; T578-F582 HydrophobicContact CG2-CD2 3.66Å; T578-F582 HydrophobicContact CG2-CE2 3.87Å; T578-F582 WeakPolarHBondContact O-CD2 3.33Å; T578-F582 PolarHBondContact O-N 2.81Å; T578-F582 VanDerWaalsContact O-N 3.09Å
579S87.6Confident88.9Confident60 Ų6068.7 Ų68.742%0.4235%0.354SS..Hα-helixtrans-59-50.4176.9-57.90000110.8N575 E576 V577 T581 R583N575-S579 WeakPolarHBondContact O-CB 3.37Å; N575-S579 PolarHBondContact O-N 3.47Å; N575-S579 PolarHBondContact O-OG 3.2Å; E576-S579 PolarHBondContact O-N 2.78Å; V577-S579 PolarHBondContact O-N 3.19Å; S579-T581 VanDerWaalsContact C-N 3.29Å; S579-T581 PolarHBondContact O-N 3.18Å; S579-R583 WeakPolarHBondContact O-CB 3.43Å; S579-R583 PolarHBondContact O-N 2.81Å
580K88Confident89.5Confident156 Ų15666.7 Ų66.768%0.67834%0.341SS*.Hα-helixtrans-65.3-33.6-178.4-169.4176.2-177.1175.20112.7E576 V577 T578E576-K580 VanDerWaalsContact O-CB 3.24Å; E576-K580 WeakPolarHBondContact O-CB 3.44Å; E576-K580 PolarHBondContact O-N 3.12Å; V577-K580 PolarHBondContact O-N 3.29Å; T578-K580 PolarHBondContact O-N 3.46Å
581T88.4Confident90.3Very high34 Ų3469.1 Ų69.121%0.20934%0.343CS..Hα-helixtrans-73.2-39.7-177.2-57.80000112.2L554 P555 F558 V577 T578 S579L554-T581 HydrophobicContact CD2-CG2 4Å; P555-T581 HydrophobicContact CG-CG2 4.12Å; F558-T581 HydrophobicContact CD2-CG2 4.15Å; F558-T581 HydrophobicContact CE2-CG2 3.88Å; F558-T581 VanDerWaalsContact CE2-OG1 3.3Å; F558-T581 WeakPolarHBondContact CE2-OG1 3.32Å; V577-T581 VanDerWaalsContact O-CB 3.27Å; V577-T581 WeakPolarHBondContact O-CB 3.22Å; V577-T581 PolarHBondContact O-N 2.98Å; V577-T581 PolarHBondContact O-OG1 3.42Å; T578-T581 PolarHBondContact O-N 2.9Å; S579-T581 VanDerWaalsContact C-N 3.29Å; S579-T581 PolarHBondContact O-N 3.18Å
582F91.3Very high90.7Very high4 Ų463.5 Ų63.52%0.01832%0.321CS..Hα-helixtrans-104.3-16.9-172.2-63.2-55.8000115A342 R346 V552 L554 T578 D584 K585 V586A342-F582 WeakPolarHBondContact O-CE2 3.44Å; R346-F582 HydrophobicContact CB-CE1 4.29Å; R346-F582 HydrophobicContact CB-CE2 3.85Å; R346-F582 HydrophobicContact CB-CZ 3.65Å; R346-F582 HydrophobicContact CG-CE1 4.21Å; R346-F582 HydrophobicContact CG-CZ 4.04Å; V552-F582 HydrophobicContact CG1-CD1 3.97Å; L554-F582 HydrophobicContact CD2-CE1 3.86Å; L554-F582 HydrophobicContact CD2-CE2 4.11Å; L554-F582 HydrophobicContact CD2-CZ 3.29Å; L554-F582 HydrophobicContact CG-CE1 4.29Å; L554-F582 HydrophobicContact CG-CZ 3.88Å; T578-F582 HydrophobicContact CG2-CD2 3.66Å; T578-F582 HydrophobicContact CG2-CE2 3.87Å; T578-F582 WeakPolarHBondContact O-CD2 3.33Å; T578-F582 PolarHBondContact O-N 2.81Å; T578-F582 VanDerWaalsContact O-N 3.09Å; F582-D584 PolarHBondContact O-N 3.07Å; F582-K585 PolarHBondContact O-N 3.27Å; F582-V586 HydrophobicContact CB-CG2 3.75Å; F582-V586 WeakPolarHBondContact O-CB 3.46Å; F582-V586 WeakPolarHBondContact O-CG2 3.07Å; F582-V586 PolarHBondContact O-N 3.12Å
583R91.1Very high91.2Very high140 Ų14062.8 Ų62.853%0.52832%0.317SS..Hα-helixtrans-40.8-66.2-172.3-176.7-175-52.2-98-0.5113.6S579 K585 V586 D587S579-R583 WeakPolarHBondContact O-CB 3.43Å; S579-R583 PolarHBondContact O-N 2.81Å; R583-K585 VanDerWaalsContact C-N 3.32Å; R583-K585 PolarHBondContact O-N 2.68Å; R583-V586 PolarHBondContact O-N 3.04Å; R583-D587 WeakPolarHBondContact CG-OD2 3.36Å; R583-D587 VanDerWaalsContact O-CB 3.3Å; R583-D587 WeakPolarHBondContact O-CB 3.19Å; R583-D587 PolarHBondContact O-N 2.95Å
584D91Very high91.6Very high127 Ų12762.3 Ų62.368%0.67931%0.314SS*.Hα-helixtrans-64.1-38.9-170.4-55.6-18.2000112.2F582 A588F582-D584 PolarHBondContact O-N 3.07Å; D584-A588 WeakPolarHBondContact O-CB 3.4Å; D584-A588 PolarHBondContact O-N 3.19Å
585K91.8Very high92Very high83 Ų8365.7 Ų65.736%0.36133%0.33SS..Hα-helixtrans-70.5-42.6179.3-65.1177165.8-163.20111.9L551 V552 C553 F582 R583 A589L551-K585 VanDerWaalsContact O-CD 3.29Å; L551-K585 WeakPolarHBondContact O-CD 3.17Å; L551-K585 WeakPolarHBondContact O-CE 3.37Å; L551-K585 PolarHBondContact O-NZ 3.27Å; V552-K585 HydrophobicContact CG2-CB 4.12Å; C553-K585 PolarHBondContact O-NZ 3.49Å; F582-K585 PolarHBondContact O-N 3.27Å; R583-K585 VanDerWaalsContact C-N 3.32Å; R583-K585 PolarHBondContact O-N 2.68Å; K585-A589 WeakPolarHBondContact O-CB 3.37Å; K585-A589 PolarHBondContact O-N 3.07Å
586V94.3Very high92.5Very high5 Ų560 Ų603%0.0330%0.3CS..Hα-helixtrans-67.9-41.8177.4167.90000110.6I349 W549 V552 F582 R583 A589 R590I349-V586 HydrophobicContact CG2-CG1 3.98Å; I349-V586 HydrophobicContact CG2-CG2 4.22Å; W549-V586 HydrophobicContact CH2-CG1 4.29Å; W549-V586 HydrophobicContact CZ3-CG1 4.47Å; W549-V586 HydrophobicContact CZ3-CG2 4.27Å; V552-V586 HydrophobicContact CG1-CG2 3.63Å; V552-V586 HydrophobicContact CG2-CG2 4.47Å; F582-V586 HydrophobicContact CB-CG2 3.75Å; F582-V586 WeakPolarHBondContact O-CB 3.46Å; F582-V586 WeakPolarHBondContact O-CG2 3.07Å; F582-V586 PolarHBondContact O-N 3.12Å; R583-V586 PolarHBondContact O-N 3.04Å; V586-A589 PolarHBondContact O-N 3.24Å; V586-R590 HydrophobicContact CG1-CG 4.24Å; V586-R590 VanDerWaalsContact O-CB 3.31Å; V586-R590 WeakPolarHBondContact O-CB 3.41Å; V586-R590 VanDerWaalsContact O-CG 3.28Å; V586-R590 WeakPolarHBondContact O-CG 3.38Å; V586-R590 PolarHBondContact O-N 3.45Å
587D93.8Very high93Very high74 Ų7455.9 Ų55.940%0.39628%0.281SS..Hα-helixtrans-64.2-44.4179.1-70.9-17.8000110.7R583 A589 R590 I591R583-D587 WeakPolarHBondContact CG-OD2 3.36Å; R583-D587 VanDerWaalsContact O-CB 3.3Å; R583-D587 WeakPolarHBondContact O-CB 3.19Å; R583-D587 PolarHBondContact O-N 2.95Å; D587-A589 PolarHBondContact O-N 3.04Å; D587-R590 PolarHBondContact O-N 3.39Å; D587-I591 VanDerWaalsContact O-CG1 3.31Å; D587-I591 WeakPolarHBondContact O-CG1 3.25Å; D587-I591 PolarHBondContact O-N 3.29Å
588A93.6Very high93.6Very high41 Ų4159.4 Ų59.434%0.33930%0.299SS..Hα-helixtrans-59.2-47.5173.500000112.3D584 R590 I591 C592D584-A588 WeakPolarHBondContact O-CB 3.4Å; D584-A588 PolarHBondContact O-N 3.19Å; A588-R590 PolarHBondContact O-N 2.9Å; A588-I591 PolarHBondContact O-N 3.08Å; A588-C592 PolarHBondContact O-N 3.33Å
589A94.7Very high94Very high1 Ų162.9 Ų62.91%0.00832%0.315CS..Hα-helixtrans-65.7-37.5179.400000112.5M548 W549 V552 K585 V586 D587 I591 C592 V593M548-A589 HydrophobicContact CG-CB 4.38Å; W549-A589 HydrophobicContact CD2-CB 3.88Å; W549-A589 HydrophobicContact CE3-CB 4.18Å; W549-A589 HydrophobicContact CG-CB 4.43Å; W549-A589 HydrophobicContact CH2-CB 3.99Å; W549-A589 HydrophobicContact CZ2-CB 3.66Å; W549-A589 HydrophobicContact CZ3-CB 4.24Å; V552-A589 HydrophobicContact CG2-CB 4.32Å; K585-A589 WeakPolarHBondContact O-CB 3.37Å; K585-A589 PolarHBondContact O-N 3.07Å; V586-A589 PolarHBondContact O-N 3.24Å; D587-A589 PolarHBondContact O-N 3.04Å; A589-I591 PolarHBondContact O-N 3.05Å; A589-C592 PolarHBondContact O-N 3.13Å; A589-V593 WeakPolarHBondContact O-CG2 3.3Å; A589-V593 PolarHBondContact O-N 3.46Å
590R96.4Very high94.5Very high85 Ų8560.3 Ų60.332%0.32130%0.296SS..Hα-helixtrans-64.9-36175.8-81.5177.3170156.72.1112.9E353 W549 V586 D587 A588 C592 V593 N594E353-R590 HydrophobicContact CG-CG 4.48Å; E353-R590 IonicContact OE1-CZ 3.59Å; E353-R590 IonicContact OE1-NE 3.76Å; E353-R590 PolarHBondContact OE1-NE 3.49Å; E353-R590 IonicContact OE1-NH2 2.83Å; W549-R590 HydrophobicContact CH2-CG 4.09Å; W549-R590 HydrophobicContact CZ2-CG 4.26Å; V586-R590 HydrophobicContact CG1-CG 4.24Å; V586-R590 VanDerWaalsContact O-CB 3.31Å; V586-R590 WeakPolarHBondContact O-CB 3.41Å; V586-R590 VanDerWaalsContact O-CG 3.28Å; V586-R590 WeakPolarHBondContact O-CG 3.38Å; V586-R590 PolarHBondContact O-N 3.45Å; D587-R590 PolarHBondContact O-N 3.39Å; A588-R590 PolarHBondContact O-N 2.9Å; R590-C592 VanDerWaalsContact C-N 3.31Å; R590-C592 PolarHBondContact O-N 2.92Å; R590-V593 PolarHBondContact O-N 3.43Å; R590-N594 WeakPolarHBondContact O-CB 3.33Å; R590-N594 VanDerWaalsContact O-CG 3.29Å; R590-N594 PolarHBondContact O-N 3.3Å; R590-N594 PolarHBondContact O-ND2 3.39Å
591I95.5Very high95Very high95 Ų9559.7 Ų59.749%0.48729%0.29SS..Hα-helixtrans-58.6-47.2174.3-70.7163.9000109.7D587 A588 A589 V593 N594 Q595D587-I591 VanDerWaalsContact O-CG1 3.31Å; D587-I591 WeakPolarHBondContact O-CG1 3.25Å; D587-I591 PolarHBondContact O-N 3.29Å; A588-I591 PolarHBondContact O-N 3.08Å; A589-I591 PolarHBondContact O-N 3.05Å; I591-V593 PolarHBondContact O-N 2.94Å; I591-N594 PolarHBondContact O-N 3.32Å; I591-Q595 HydrophobicContact CG2-CG 4.37Å; I591-Q595 WeakPolarHBondContact O-CB 3.24Å; I591-Q595 VanDerWaalsContact O-CG 3.27Å; I591-Q595 WeakPolarHBondContact O-CG 3.5Å; I591-Q595 PolarHBondContact O-N 3.35Å
592C94.5Very high95.5Very high42 Ų4262.5 Ų62.528%0.28430%0.303SS..Hα-helixtrans-62.3-43.8178-60.20000112.6V545 A588 A589 R590 Q595 N596V545-C592 HydrophobicContact CG1-CB 4.29Å; V545-C592 HydrophobicContact CG2-CB 4.39Å; A588-C592 PolarHBondContact O-N 3.33Å; A589-C592 PolarHBondContact O-N 3.13Å; R590-C592 VanDerWaalsContact C-N 3.31Å; R590-C592 PolarHBondContact O-N 2.92Å; C592-Q595 PolarHBondContact O-N 3.2Å; C592-N596 PolarHBondContact O-N 3.25Å; C592-N596 VanDerWaalsContact O-N 3.08Å
593V97Very high95.8Very high0 Ų062.6 Ų62.60%030%0.304CS..Hα-helixtrans-59.2-50.4175.4171.30000110.7L357 V545 W549 A589 R590 I591 Q595 N596 L597L357-V593 HydrophobicContact CD1-CG2 4.42Å; L357-V593 HydrophobicContact CD2-CG1 4.08Å; L357-V593 HydrophobicContact CG-CG1 4.3Å; V545-V593 HydrophobicContact CG1-CB 4.35Å; V545-V593 HydrophobicContact CG1-CG2 3.54Å; W549-V593 HydrophobicContact CZ2-CG2 4.14Å; A589-V593 WeakPolarHBondContact O-CG2 3.3Å; A589-V593 PolarHBondContact O-N 3.46Å; R590-V593 PolarHBondContact O-N 3.43Å; I591-V593 PolarHBondContact O-N 2.94Å; V593-Q595 PolarHBondContact O-N 3.27Å; V593-N596 PolarHBondContact O-N 3.39Å; V593-L597 HydrophobicContact CG1-CD1 3.79Å; V593-L597 HydrophobicContact CG1-CG 4.32Å; V593-L597 WeakPolarHBondContact O-CB 3.44Å; V593-L597 VanDerWaalsContact O-CG 3.24Å; V593-L597 WeakPolarHBondContact O-CG 3.45Å; V593-L597 PolarHBondContact O-N 3.3Å
594N97.2Very high96Very high69 Ų6956.1 Ų56.137%0.36928%0.28SS..Hα-helixtrans-64.7-40.9-177.7-70.9-30.4000112.1R590 I591 N596 L597 D598R590-N594 WeakPolarHBondContact O-CB 3.33Å; R590-N594 VanDerWaalsContact O-CG 3.29Å; R590-N594 PolarHBondContact O-N 3.3Å; R590-N594 PolarHBondContact O-ND2 3.39Å; I591-N594 PolarHBondContact O-N 3.32Å; N594-N596 PolarHBondContact O-N 2.84Å; N594-L597 PolarHBondContact O-N 3.5Å; N594-D598 WeakPolarHBondContact O-CB 3.06Å; N594-D598 VanDerWaalsContact O-CG 3.25Å; N594-D598 PolarHBondContact O-N 2.97Å
595Q96.8Very high96.3Very high123 Ų12352.7 Ų52.758%0.57527%0.266SS*.Hα-helixtrans-58.9-47.8175.4-76173.2-16.900111.9I591 C592 V593 L597 D598 E599I591-Q595 HydrophobicContact CG2-CG 4.37Å; I591-Q595 WeakPolarHBondContact O-CB 3.24Å; I591-Q595 VanDerWaalsContact O-CG 3.27Å; I591-Q595 WeakPolarHBondContact O-CG 3.5Å; I591-Q595 PolarHBondContact O-N 3.35Å; C592-Q595 PolarHBondContact O-N 3.2Å; V593-Q595 PolarHBondContact O-N 3.27Å; Q595-L597 VanDerWaalsContact C-N 3.33Å; Q595-L597 PolarHBondContact O-N 3.35Å; Q595-D598 PolarHBondContact O-N 3.08Å; Q595-E599 WeakPolarHBondContact O-CB 3.29Å; Q595-E599 PolarHBondContact O-N 3.24Å
596N97.7Very high96.5Very high6 Ų651.8 Ų51.83%0.03226%0.263CS..Hα-helixtrans-61.2-42.6177.3-177-93.7000111.8N538 R542 V545 C592 V593 N594 Q600N538-N596 PolarHBondContact ND2-ND2 3.05Å; N538-N596 PolarHBondContact ND2-O 3Å; N538-N596 PolarHBondContact O-ND2 3.17Å; R542-N596 WeakPolarHBondContact CG-OD1 3.47Å; R542-N596 PolarHBondContact NE-OD1 3.48Å; R542-N596 VanDerWaalsContact NE-OD1 3.1Å; V545-N596 HydrophobicContact CG2-CB 4.29Å; C592-N596 PolarHBondContact O-N 3.25Å; C592-N596 VanDerWaalsContact O-N 3.08Å; V593-N596 PolarHBondContact O-N 3.39Å; N594-N596 PolarHBondContact O-N 2.84Å; N596-Q600 PolarHBondContact O-N 3.31Å
597L98.3Very high96.6Very high7 Ų751.7 Ų51.74%0.03726%0.262CS..Hα-helixtrans-67.3-41.6179.1-69.2177.8000112.7K356 L357 A360 V593 N594 Q595 Q600 R601K356-L597 HydrophobicContact CB-CD1 4.02Å; L357-L597 HydrophobicContact CD2-CD2 4.08Å; L357-L597 HydrophobicContact CD2-CG 4.28Å; A360-L597 HydrophobicContact CB-CD2 3.35Å; V593-L597 HydrophobicContact CG1-CD1 3.79Å; V593-L597 HydrophobicContact CG1-CG 4.32Å; V593-L597 WeakPolarHBondContact O-CB 3.44Å; V593-L597 VanDerWaalsContact O-CG 3.24Å; V593-L597 WeakPolarHBondContact O-CG 3.45Å; V593-L597 PolarHBondContact O-N 3.3Å; N594-L597 PolarHBondContact O-N 3.5Å; Q595-L597 VanDerWaalsContact C-N 3.33Å; Q595-L597 PolarHBondContact O-N 3.35Å; L597-Q600 PolarHBondContact O-N 3.28Å; L597-R601 VanDerWaalsContact O-CG 3.29Å; L597-R601 WeakPolarHBondContact O-CG 3.49Å; L597-R601 PolarHBondContact O-N 3.1Å
598D98.1Very high96.6Very high88 Ų8853.8 Ų53.847%0.47127%0.265SS..Hα-helixtrans-68-39.1179.1-73-22.2000111.5N594 Q595 R601 N602N594-D598 WeakPolarHBondContact O-CB 3.06Å; N594-D598 VanDerWaalsContact O-CG 3.25Å; N594-D598 PolarHBondContact O-N 2.97Å; Q595-D598 PolarHBondContact O-N 3.08Å; D598-R601 PolarHBondContact O-N 2.93Å; D598-R601 IonicContact OD1-CZ 3.49Å; D598-R601 IonicContact OD1-NH1 3.63Å; D598-R601 PolarHBondContact OD1-NH1 2.87Å; D598-N602 WeakPolarHBondContact O-CB 3.49Å; D598-N602 PolarHBondContact O-N 2.94Å
599E97.8Very high96.6Very high81 Ų8157.4 Ų57.438%0.37928%0.277SS..Hα-helixtrans-60.9-48.1172-177.8178.8-148.500111.3N538 Q595 R601 N602 L603N538-E599 PolarHBondContact ND2-OE2 3.42Å; Q595-E599 WeakPolarHBondContact O-CB 3.29Å; Q595-E599 PolarHBondContact O-N 3.24Å; E599-R601 VanDerWaalsContact C-N 3.32Å; E599-R601 PolarHBondContact O-N 3.44Å; E599-N602 PolarHBondContact O-N 2.71Å; E599-L603 HydrophobicContact CG-CD1 3.96Å; E599-L603 HydrophobicContact CG-CG 4.41Å; E599-L603 WeakPolarHBondContact O-CB 3.47Å; E599-L603 WeakPolarHBondContact O-CG 3.42Å; E599-L603 PolarHBondContact O-N 2.89Å
600Q98Very high96.7Very high5 Ų559.7 Ų59.72%0.02329%0.287CS..Hα-helixtrans-57.2-46175-173.3179.9-9200111.3A360 L535 R542 N596 L597 N602 L603 L604A360-Q600 PolarHBondContact O-NE2 2.99Å; A360-Q600 PolarHBondContact O-OE1 3.44Å; L535-Q600 HydrophobicContact CD2-CG 3.97Å; R542-Q600 VanDerWaalsContact NH2-CD 3.29Å; N596-Q600 PolarHBondContact O-N 3.31Å; L597-Q600 PolarHBondContact O-N 3.28Å; Q600-N602 VanDerWaalsContact C-N 3.31Å; Q600-N602 PolarHBondContact O-N 3.15Å; Q600-L603 PolarHBondContact O-N 2.66Å; Q600-L604 HydrophobicContact CG-CD1 3.86Å; Q600-L604 HydrophobicContact CG-CG 4.06Å; Q600-L604 WeakPolarHBondContact O-CB 3.48Å; Q600-L604 WeakPolarHBondContact O-CG 3.48Å; Q600-L604 PolarHBondContact O-N 2.94Å
601R97.9Very high96.6Very high143 Ų14355.8 Ų55.854%0.5427%0.273SS..Hα-helixtrans-59.3-43.9179.8-73.7171.7-171.5131.63.8111.6L597 D598 E599 S605L597-R601 VanDerWaalsContact O-CG 3.29Å; L597-R601 WeakPolarHBondContact O-CG 3.49Å; L597-R601 PolarHBondContact O-N 3.1Å; D598-R601 PolarHBondContact O-N 2.93Å; D598-R601 IonicContact OD1-CZ 3.49Å; D598-R601 IonicContact OD1-NH1 3.63Å; D598-R601 PolarHBondContact OD1-NH1 2.87Å; E599-R601 VanDerWaalsContact C-N 3.32Å; E599-R601 PolarHBondContact O-N 3.44Å; R601-S605 WeakPolarHBondContact O-CB 3.48Å; R601-S605 PolarHBondContact O-N 3.47Å
602N98Very high96.4Very high93 Ų9357.6 Ų57.650%0.49728%0.279SS..Hα-helixtrans-64.1-46.6178-177.643.2000111.5D598 E599 Q600 S605 Q606D598-N602 WeakPolarHBondContact O-CB 3.49Å; D598-N602 PolarHBondContact O-N 2.94Å; E599-N602 PolarHBondContact O-N 2.71Å; Q600-N602 VanDerWaalsContact C-N 3.31Å; Q600-N602 PolarHBondContact O-N 3.15Å; N602-S605 WeakPolarHBondContact O-CB 3.24Å; N602-S605 PolarHBondContact O-N 3Å; N602-Q606 PolarHBondContact ND2-NE2 3.42Å; N602-Q606 VanDerWaalsContact ND2-NE2 3.19Å; N602-Q606 WeakPolarHBondContact O-CG 3.47Å; N602-Q606 PolarHBondContact O-N 2.97Å
603L97.9Very high96.4Very high6 Ų658 Ų583%0.03128%0.281CS..Hα-helixtrans-63.1-44178.2-69.7172.4000112.1E534 L535 N538 E599 Q600 S605 Q606 L607E534-L603 HydrophobicContact CB-CD1 3.97Å; E534-L603 HydrophobicContact CB-CD2 3.88Å; E534-L603 WeakPolarHBondContact OE2-CD2 3.25Å; L535-L603 HydrophobicContact CD2-CB 3.45Å; L535-L603 VanDerWaalsContact CD2-CB 3.45Å; L535-L603 HydrophobicContact CD2-CD1 4Å; L535-L603 HydrophobicContact CD2-CG 4.39Å; L535-L603 HydrophobicContact CG-CB 3.78Å; L535-L603 HydrophobicContact CG-CD1 4.18Å; N538-L603 HydrophobicContact CB-CD1 4.36Å; E599-L603 HydrophobicContact CG-CD1 3.96Å; E599-L603 HydrophobicContact CG-CG 4.41Å; E599-L603 WeakPolarHBondContact O-CB 3.47Å; E599-L603 WeakPolarHBondContact O-CG 3.42Å; E599-L603 PolarHBondContact O-N 2.89Å; Q600-L603 PolarHBondContact O-N 2.66Å; L603-S605 VanDerWaalsContact C-N 3.31Å; L603-S605 PolarHBondContact O-N 3.41Å; L603-Q606 PolarHBondContact O-N 3.42Å; L603-L607 WeakPolarHBondContact O-CB 3.46Å; L603-L607 PolarHBondContact O-N 3.49Å
604L96.6Very high96.3Very high5 Ų558 Ų583%0.02628%0.281CS..Hα-helixtrans-63.1-37174.8-73.3179.4000112.1I363 L364 E367 L535 Q600 L607 R608I363-L604 HydrophobicContact CG2-CD1 3.8Å; L364-L604 HydrophobicContact CD1-CD2 4.02Å; E367-L604 HydrophobicContact CB-CD2 4.27Å; E367-L604 HydrophobicContact CG-CD2 4.09Å; L535-L604 HydrophobicContact CD1-CD2 3.92Å; L535-L604 HydrophobicContact CD2-CD2 4.06Å; L535-L604 HydrophobicContact CD2-CG 4.06Å; Q600-L604 HydrophobicContact CG-CD1 3.86Å; Q600-L604 HydrophobicContact CG-CG 4.06Å; Q600-L604 WeakPolarHBondContact O-CB 3.48Å; Q600-L604 WeakPolarHBondContact O-CG 3.48Å; Q600-L604 PolarHBondContact O-N 2.94Å; L604-L607 HydrophobicContact CD2-CD2 4.16Å; L604-L607 PolarHBondContact O-N 3.33Å; L604-R608 VanDerWaalsContact O-CG 3.29Å; L604-R608 WeakPolarHBondContact O-CG 3.39Å; L604-R608 PolarHBondContact O-N 3.12Å
605S96.4Very high96.2Very high55 Ų5556.6 Ų56.639%0.38527%0.272SS..Hα-helixtrans-62-45.3173.6-172.30000111.4R601 N602 L603 R608 I609R601-S605 WeakPolarHBondContact O-CB 3.48Å; R601-S605 PolarHBondContact O-N 3.47Å; N602-S605 WeakPolarHBondContact O-CB 3.24Å; N602-S605 PolarHBondContact O-N 3Å; L603-S605 VanDerWaalsContact C-N 3.31Å; L603-S605 PolarHBondContact O-N 3.41Å; S605-R608 PolarHBondContact O-N 3.2Å; S605-I609 WeakPolarHBondContact O-CD1 3.38Å; S605-I609 VanDerWaalsContact O-CG1 3.28Å; S605-I609 WeakPolarHBondContact O-CG1 3.47Å; S605-I609 PolarHBondContact O-N 3.28Å
606Q96.3Very high96Very high64 Ų6455 Ų5530%0.29927%0.268SS..Hα-helixtrans-64.2-41.3176.5-68.4178.858.100111.9I531 N602 L603 I609 K610I531-Q606 HydrophobicContact CD1-CB 3.95Å; N602-Q606 PolarHBondContact ND2-NE2 3.42Å; N602-Q606 VanDerWaalsContact ND2-NE2 3.19Å; N602-Q606 WeakPolarHBondContact O-CG 3.47Å; N602-Q606 PolarHBondContact O-N 2.97Å; L603-Q606 PolarHBondContact O-N 3.42Å; Q606-I609 PolarHBondContact O-N 3.01Å; Q606-K610 PolarHBondContact O-N 3.31Å; Q606-K610 VanDerWaalsContact O-N 3.14Å
607L95.3Very high95.8Very high2 Ų257.5 Ų57.51%0.0128%0.279CS..Hα-helixtrans-57.5-51.6177-172.374.3000110.6F373 L528 I531 L535 L603 L604 I609 K610 C611F373-L607 HydrophobicContact CD2-CD2 4.47Å; F373-L607 HydrophobicContact CE2-CD1 3.92Å; F373-L607 HydrophobicContact CE2-CD2 4.06Å; F373-L607 HydrophobicContact CE2-CG 4.23Å; L528-L607 HydrophobicContact CD2-CD1 3.8Å; I531-L607 HydrophobicContact CB-CD1 4.44Å; I531-L607 HydrophobicContact CG2-CB 3.94Å; I531-L607 HydrophobicContact CG2-CD1 3.97Å; L535-L607 HydrophobicContact CD1-CD2 3.93Å; L603-L607 WeakPolarHBondContact O-CB 3.46Å; L603-L607 PolarHBondContact O-N 3.49Å; L604-L607 HydrophobicContact CD2-CD2 4.16Å; L604-L607 PolarHBondContact O-N 3.33Å; L607-I609 PolarHBondContact O-N 3.05Å; L607-K610 PolarHBondContact O-N 3.27Å; L607-C611 WeakPolarHBondContact O-CB 3.35Å; L607-C611 PolarHBondContact O-N 3.21Å; L607-C611 PolarHBondContact O-SG 3.36Å
608R94.1Very high95.6Very high118 Ų11857.1 Ų57.145%0.44528%0.277SS..Hα-helixtrans-59-46.1-179.4-73168.2-178.7162.7-3.3112.4E367 L604 S605 K610 C611 E612E367-R608 VanDerWaalsContact CD-NH2 3.34Å; E367-R608 IonicContact OE1-CZ 3.13Å; E367-R608 IonicContact OE1-NE 3.05Å; E367-R608 PolarHBondContact OE1-NE 3.36Å; E367-R608 IonicContact OE1-NH2 2.58Å; E367-R608 PolarHBondContact OE1-NH2 3.48Å; E367-R608 WeakPolarHBondContact OE2-CG 3.35Å; E367-R608 IonicContact OE2-CZ 2.77Å; E367-R608 IonicContact OE2-NE 3.77Å; E367-R608 PolarHBondContact OE2-NE 3.45Å; E367-R608 IonicContact OE2-NH2 3.17Å; L604-R608 VanDerWaalsContact O-CG 3.29Å; L604-R608 WeakPolarHBondContact O-CG 3.39Å; L604-R608 PolarHBondContact O-N 3.12Å; S605-R608 PolarHBondContact O-N 3.2Å; R608-K610 VanDerWaalsContact C-N 3.28Å; R608-K610 PolarHBondContact O-N 3.1Å; R608-C611 PolarHBondContact O-N 2.72Å; R608-E612 PolarHBondContact O-N 3.22Å
609I94.9Very high95.3Very high117 Ų11757 Ų5760%0.628%0.275SS*.Hα-helixtrans-60.7-38179.5-68.1166.2000111.4S605 Q606 L607 P613S605-I609 WeakPolarHBondContact O-CD1 3.38Å; S605-I609 VanDerWaalsContact O-CG1 3.28Å; S605-I609 WeakPolarHBondContact O-CG1 3.47Å; S605-I609 PolarHBondContact O-N 3.28Å; Q606-I609 PolarHBondContact O-N 3.01Å; L607-I609 PolarHBondContact O-N 3.05Å; I609-P613 WeakPolarHBondContact O-CD 3.4Å
610K94.8Very high95.1Very high50 Ų5059.7 Ų59.722%0.21729%0.286CS..Hα-helixtrans-84.9-28.2179.8-72.8-177.8-180-82.10113.6D527 L528 I531 Q606 L607 R608 P613 Y614D527-K610 HydrophobicContact CB-CD 3.89Å; D527-K610 IonicContact OD2-NZ 3.27Å; D527-K610 PolarHBondContact OD2-NZ 3.34Å; L528-K610 HydrophobicContact CD2-CB 3.62Å; L528-K610 HydrophobicContact CG-CB 4.21Å; I531-K610 HydrophobicContact CD1-CD 3.64Å; Q606-K610 PolarHBondContact O-N 3.31Å; Q606-K610 VanDerWaalsContact O-N 3.14Å; L607-K610 PolarHBondContact O-N 3.27Å; R608-K610 VanDerWaalsContact C-N 3.28Å; R608-K610 PolarHBondContact O-N 3.1Å; K610-P613 WeakPolarHBondContact O-CD 3.23Å; K610-P613 WeakPolarHBondContact O-CG 3.47Å; K610-Y614 VanDerWaalsContact O-CB 3.31Å; K610-Y614 WeakPolarHBondContact O-CB 3.49Å; K610-Y614 PolarHBondContact O-N 2.73Å
611C94.3Very high94.9Very high3 Ų360.2 Ų60.22%0.0229%0.288CS..Hα-helixtrans-65.4-39.9178.5-770000112.1L607 R608 Y614 F615L607-C611 WeakPolarHBondContact O-CB 3.35Å; L607-C611 PolarHBondContact O-N 3.21Å; L607-C611 PolarHBondContact O-SG 3.36Å; R608-C611 PolarHBondContact O-N 2.72Å; C611-Y614 PolarHBondContact O-N 2.96Å; C611-F615 HydrophobicContact CB-CD2 4.09Å; C611-F615 HydrophobicContact CB-CE2 4.23Å; C611-F615 VanDerWaalsContact O-CD2 3.27Å; C611-F615 WeakPolarHBondContact O-CD2 3.48Å; C611-F615 PolarHBondContact O-N 3.43Å
612E92.6Very high94.7Very high132 Ų13257.6 Ų57.662%0.61728%0.278SS*.Hα-helixtrans-57.4-57.9-178.4-177.3177-176.300113.3R608 Y614 N616R608-E612 PolarHBondContact O-N 3.22Å; E612-Y614 VanDerWaalsContact C-N 3.31Å; E612-Y614 PolarHBondContact O-N 3.01Å; E612-N616 WeakPolarHBondContact CG-ND2 3.5Å; E612-N616 WeakPolarHBondContact O-CB 3.33Å; E612-N616 PolarHBondContact O-N 3.35Å; E612-N616 PolarHBondContact O-ND2 3.45Å
613P93.8Very high94.3Very high51 Ų5160.3 Ų60.333%0.33129%0.287SS..Hα-helixtrans-63.1-37.9177.924.3-33.3000112.2L524 I609 K610 Q617L524-P613 HydrophobicContact CD1-CB 4.43Å; I609-P613 WeakPolarHBondContact O-CD 3.4Å; K610-P613 WeakPolarHBondContact O-CD 3.23Å; K610-P613 WeakPolarHBondContact O-CG 3.47Å; P613-Q617 WeakPolarHBondContact O-CB 3.44Å; P613-Q617 VanDerWaalsContact O-CG 3.29Å; P613-Q617 WeakPolarHBondContact O-CG 3.41Å; P613-Q617 PolarHBondContact O-N 3.3Å
614Y95.4Very high94.2Very high0 Ų061.2 Ų61.20%029%0.292CS..Hα-helixtrans-58.9-56.8179.2177.3-106.3000112.2L377 V381 L384 I521 L524 R525 L528 K610 C611 E612 Q617 I618L377-Y614 HydrophobicContact CD2-CE1 4.39Å; V381-Y614 HydrophobicContact CG2-CE2 3.91Å; L384-Y614 HydrophobicContact CD2-CE1 4.19Å; L384-Y614 WeakPolarHBondContact CD2-OH 3.48Å; I521-Y614 HydrophobicContact CG2-CD2 3.62Å; I521-Y614 HydrophobicContact CG2-CE2 3.66Å; L524-Y614 HydrophobicContact CB-CD2 4.18Å; R525-Y614 HydrophobicContact CB-CE2 3.73Å; R525-Y614 HydrophobicContact CG-CE2 4.35Å; L528-Y614 HydrophobicContact CD1-CD1 3.57Å; L528-Y614 HydrophobicContact CD1-CD2 4.06Å; L528-Y614 HydrophobicContact CD1-CE1 4.11Å; L528-Y614 HydrophobicContact CD1-CG 3.54Å; K610-Y614 VanDerWaalsContact O-CB 3.31Å; K610-Y614 WeakPolarHBondContact O-CB 3.49Å; K610-Y614 PolarHBondContact O-N 2.73Å; C611-Y614 PolarHBondContact O-N 2.96Å; E612-Y614 VanDerWaalsContact C-N 3.31Å; E612-Y614 PolarHBondContact O-N 3.01Å; Y614-Q617 PolarHBondContact O-N 3.43Å; Y614-I618 HydrophobicContact CD1-CD1 3.75Å; Y614-I618 HydrophobicContact CD2-CD1 4.06Å; Y614-I618 HydrophobicContact CE1-CD1 3.37Å; Y614-I618 HydrophobicContact CE2-CD1 3.7Å; Y614-I618 HydrophobicContact CG-CD1 4.08Å; Y614-I618 WeakPolarHBondContact O-CD1 3.36Å; Y614-I618 WeakPolarHBondContact O-CG1 3.38Å; Y614-I618 PolarHBondContact O-N 3.21Å; Y614-I618 VanDerWaalsContact O-N 3.1Å
615F94Very high94Very high39 Ų3964.7 Ų64.717%0.17132%0.316CS..Hα-helixtrans-70.9-35.5-178.2-75.2-68.6000112.6H371 F373 C611 Q617 I618 I619H371-F615 HydrophobicContact CB-CE2 3.81Å; H371-F615 HydrophobicContact CB-CZ 3.87Å; H371-F615 AromaticContact CG-CE2 3.65Å; H371-F615 AromaticContact ND1-CD2 3.53Å; H371-F615 AromaticContact ND1-CE2 3.16Å; H371-F615 WeakPolarHBondContact ND1-CE2 3.35Å; H371-F615 AromaticContact ND1-CZ 3.89Å; F373-F615 HydrophobicContact CE1-CE2 4.17Å; F373-F615 AromaticContact CE1-CZ 3.88Å; F373-F615 HydrophobicContact CE1-CZ 3.88Å; F373-F615 AromaticContact CZ-CE2 3.99Å; F373-F615 HydrophobicContact CZ-CE2 3.99Å; F373-F615 HydrophobicContact CZ-CZ 4.18Å; C611-F615 HydrophobicContact CB-CD2 4.09Å; C611-F615 HydrophobicContact CB-CE2 4.23Å; C611-F615 VanDerWaalsContact O-CD2 3.27Å; C611-F615 WeakPolarHBondContact O-CD2 3.48Å; C611-F615 PolarHBondContact O-N 3.43Å; F615-Q617 VanDerWaalsContact C-N 3.32Å; F615-Q617 PolarHBondContact O-N 3.35Å; F615-I618 HydrophobicContact CD1-CD1 4.46Å; F615-I618 PolarHBondContact O-N 3.31Å; F615-I619 WeakPolarHBondContact O-CB 3.31Å; F615-I619 VanDerWaalsContact O-CG1 3.24Å; F615-I619 WeakPolarHBondContact O-CG1 3.48Å; F615-I619 PolarHBondContact O-N 3.46Å
616N94.2Very high93.8Very high91 Ų9163.1 Ų63.149%0.48730%0.304SS..Hα-helixtrans-61-42.2175.9-75.4-19000111.6E612 I619 K620E612-N616 WeakPolarHBondContact CG-ND2 3.5Å; E612-N616 WeakPolarHBondContact O-CB 3.33Å; E612-N616 PolarHBondContact O-N 3.35Å; E612-N616 PolarHBondContact O-ND2 3.45Å; N616-I619 PolarHBondContact O-N 2.89Å; N616-K620 PolarHBondContact O-N 2.63Å; N616-K620 VanDerWaalsContact O-N 3.1Å
617Q92.9Very high93.7Very high57 Ų5760 Ų6027%0.26629%0.29SS..Hα-helixtrans-67.9-40.9176.6-73.7178.4-25.200111.9I521 P613 Y614 F615 I619 K620 Y621I521-Q617 HydrophobicContact CD1-CB 3.69Å; I521-Q617 HydrophobicContact CG1-CB 3.88Å; I521-Q617 HydrophobicContact CG1-CG 4.47Å; P613-Q617 WeakPolarHBondContact O-CB 3.44Å; P613-Q617 VanDerWaalsContact O-CG 3.29Å; P613-Q617 WeakPolarHBondContact O-CG 3.41Å; P613-Q617 PolarHBondContact O-N 3.3Å; Y614-Q617 PolarHBondContact O-N 3.43Å; F615-Q617 VanDerWaalsContact C-N 3.32Å; F615-Q617 PolarHBondContact O-N 3.35Å; Q617-I619 PolarHBondContact O-N 3.38Å; Q617-K620 WeakPolarHBondContact O-CB 3.22Å; Q617-K620 PolarHBondContact O-N 2.75Å; Q617-Y621 VanDerWaalsContact O-CD2 3.25Å; Q617-Y621 WeakPolarHBondContact O-CD2 3.43Å; Q617-Y621 PolarHBondContact O-N 3.39Å; Q617-Y621 VanDerWaalsContact O-N 3.08Å
618I93.6Very high93.6Very high0 Ų062.1 Ų62.10%031%0.307CS..Hα-helixtrans-60.8-44.7174.6-72.1157.8000111.8L384 I385 I521 Y614 F615 K620 Y621 R622L384-I618 HydrophobicContact CD2-CD1 3.47Å; L384-I618 VanDerWaalsContact CD2-CD1 3.47Å; L384-I618 HydrophobicContact CD2-CG1 4.44Å; L384-I618 HydrophobicContact CD2-CG2 4.43Å; L384-I618 HydrophobicContact CG-CD1 4.3Å; L384-I618 HydrophobicContact CG-CG2 4.17Å; I385-I618 HydrophobicContact CG1-CG1 4.49Å; I385-I618 HydrophobicContact CG1-CG2 4.26Å; I521-I618 HydrophobicContact CG2-CG1 4.27Å; Y614-I618 HydrophobicContact CD1-CD1 3.75Å; Y614-I618 HydrophobicContact CD2-CD1 4.06Å; Y614-I618 HydrophobicContact CE1-CD1 3.37Å; Y614-I618 HydrophobicContact CE2-CD1 3.7Å; Y614-I618 HydrophobicContact CG-CD1 4.08Å; Y614-I618 WeakPolarHBondContact O-CD1 3.36Å; Y614-I618 WeakPolarHBondContact O-CG1 3.38Å; Y614-I618 PolarHBondContact O-N 3.21Å; Y614-I618 VanDerWaalsContact O-N 3.1Å; F615-I618 HydrophobicContact CD1-CD1 4.46Å; F615-I618 PolarHBondContact O-N 3.31Å; I618-K620 VanDerWaalsContact C-N 3.27Å; I618-K620 PolarHBondContact O-N 2.93Å; I618-Y621 PolarHBondContact O-N 3.4Å; I618-R622 HydrophobicContact CG2-CG 4.36Å; I618-R622 WeakPolarHBondContact O-CB 3.36Å; I618-R622 VanDerWaalsContact O-CG 3.29Å; I618-R622 WeakPolarHBondContact O-CG 3.29Å; I618-R622 PolarHBondContact O-N 2.88Å
619I92.9Very high93.6Very high85 Ų8560.8 Ų60.844%0.43631%0.312SS..Hα-helixtrans-60.6-39.6177.9-69.4164.7000110.8F615 N616 Q617F615-I619 WeakPolarHBondContact O-CB 3.31Å; F615-I619 VanDerWaalsContact O-CG1 3.24Å; F615-I619 WeakPolarHBondContact O-CG1 3.48Å; F615-I619 PolarHBondContact O-N 3.46Å; N616-I619 PolarHBondContact O-N 2.89Å; Q617-I619 PolarHBondContact O-N 3.38Å
620K93.3Very high93.6Very high138 Ų13855.6 Ų55.660%0.629%0.286SS*.Hα-helixtrans-60.9-51.6175.6-178.4-173173.3-168.10111.5N616 Q617 I618 R622 Q623N616-K620 PolarHBondContact O-N 2.63Å; N616-K620 VanDerWaalsContact O-N 3.1Å; Q617-K620 WeakPolarHBondContact O-CB 3.22Å; Q617-K620 PolarHBondContact O-N 2.75Å; I618-K620 VanDerWaalsContact C-N 3.27Å; I618-K620 PolarHBondContact O-N 2.93Å; K620-R622 VanDerWaalsContact C-N 3.33Å; K620-R622 PolarHBondContact O-N 2.88Å; K620-Q623 PolarHBondContact O-N 3.13Å
621Y93.6Very high93.5Very high16 Ų1655.1 Ų55.16%0.06328%0.284CS..Hα-helixtrans-73.9-20.6-177.6-74-72.4000114I385 F510 E514 V517 I521 Q617 I618 Q623 H624I385-Y621 HydrophobicContact CD1-CG 4.45Å; F510-Y621 AromaticContact CE1-CD1 3.92Å; F510-Y621 HydrophobicContact CE1-CD1 3.92Å; E514-Y621 HydrophobicContact CB-CE1 3.9Å; E514-Y621 HydrophobicContact CG-CE1 3.97Å; V517-Y621 HydrophobicContact CB-CE2 4.44Å; V517-Y621 WeakPolarHBondContact CB-OH 3.45Å; V517-Y621 HydrophobicContact CG1-CE2 3.73Å; V517-Y621 WeakPolarHBondContact CG1-OH 3.5Å; I521-Y621 HydrophobicContact CD1-CD2 4.02Å; I521-Y621 HydrophobicContact CD1-CE2 4.04Å; Q617-Y621 VanDerWaalsContact O-CD2 3.25Å; Q617-Y621 WeakPolarHBondContact O-CD2 3.43Å; Q617-Y621 PolarHBondContact O-N 3.39Å; Q617-Y621 VanDerWaalsContact O-N 3.08Å; I618-Y621 PolarHBondContact O-N 3.4Å; Y621-Q623 PolarHBondContact O-N 3.2Å; Y621-H624 VanDerWaalsContact O-CB 3.24Å; Y621-H624 WeakPolarHBondContact O-CB 3.17Å; Y621-H624 PolarHBondContact O-N 2.51Å; Y621-H624 VanDerWaalsContact O-N 3.07Å
622R93.1Very high93.5Very high87 Ų8760.5 Ų60.533%0.32831%0.309SS..Hα-helixtrans-57.8-25.9168.4-83.2170.1174.6-168.9-4.5113.1L384 I385 E387 I618 K620 H624L384-R622 PolarHBondContact O-NE 3Å; L384-R622 VanDerWaalsContact O-NE 3.08Å; L384-R622 PolarHBondContact O-NH2 2.95Å; I385-R622 VanDerWaalsContact O-CG 3.25Å; I385-R622 WeakPolarHBondContact O-CG 3.44Å; E387-R622 IonicContact OE2-NH2 3.75Å; E387-R622 PolarHBondContact OE2-NH2 2.77Å; I618-R622 HydrophobicContact CG2-CG 4.36Å; I618-R622 WeakPolarHBondContact O-CB 3.36Å; I618-R622 VanDerWaalsContact O-CG 3.29Å; I618-R622 WeakPolarHBondContact O-CG 3.29Å; I618-R622 PolarHBondContact O-N 2.88Å; K620-R622 VanDerWaalsContact C-N 3.33Å; K620-R622 PolarHBondContact O-N 2.88Å; R622-H624 VanDerWaalsContact C-N 3.29Å
623Q90.8Very high93.5Very high150 Ų15054.6 Ų54.670%0.70128%0.283SS*.THydrogen-bonded Turntrans-88.18.5179.2-59.5178.21.900113.1K620 Y621 S625K620-Q623 PolarHBondContact O-N 3.13Å; Y621-Q623 PolarHBondContact O-N 3.2Å; Q623-S625 PolarHBondContact O-N 3.03Å
624H94.2Very high93.6Very high26 Ų2652.1 Ų52.112%0.1227%0.267CS..  trans-58.5139.4179-168.4-92.9000111.4F510 E514 Y621 R622 V626 I627 A628F510-H624 HydrophobicContact CE2-CB 4.48Å; F510-H624 AromaticContact CE2-CE1 3.93Å; F510-H624 AromaticContact CE2-CG 3.91Å; F510-H624 AromaticContact CE2-ND1 3.65Å; F510-H624 HydrophobicContact CZ-CB 3.97Å; F510-H624 AromaticContact CZ-CG 3.73Å; F510-H624 AromaticContact CZ-ND1 3.98Å; E514-H624 IonicContact OE1-CD2 3.94Å; E514-H624 IonicContact OE1-NE2 3.21Å; E514-H624 IonicContact OE2-NE2 3.36Å; Y621-H624 VanDerWaalsContact O-CB 3.24Å; Y621-H624 WeakPolarHBondContact O-CB 3.17Å; Y621-H624 PolarHBondContact O-N 2.51Å; Y621-H624 VanDerWaalsContact O-N 3.07Å; R622-H624 VanDerWaalsContact C-N 3.29Å; H624-V626 VanDerWaalsContact C-N 3.31Å; H624-V626 PolarHBondContact O-N 3.46Å; H624-I627 HydrophobicContact CB-CD1 4.1Å; H624-I627 HydrophobicContact CB-CG1 4.28Å; H624-I627 WeakPolarHBondContact O-CB 3.26Å; H624-I627 PolarHBondContact O-N 3.11Å; H624-A628 PolarHBondContact O-N 3.09Å
625S93.1Very high93.5Very high77 Ų7756.7 Ų56.754%0.53829%0.287SS..Hα-helixtrans-57.3-40.5-169.8580000113.3Q623 A628 T629Q623-S625 PolarHBondContact O-N 3.03Å; S625-A628 PolarHBondContact O-N 2.69Å; S625-T629 WeakPolarHBondContact O-CB 3.49Å; S625-T629 PolarHBondContact O-N 2.84Å; S625-T629 PolarHBondContact O-OG1 3.47Å
626V93.3Very high93.5Very high22 Ų2256.4 Ų56.413%0.13329%0.287CS..Hα-helixtrans-66.2-38.7177.7175.90000111.9Y505 I506 N509 H624 T629 L630Y505-V626 HydrophobicContact CE1-CG1 4.32Å; I506-V626 HydrophobicContact CG1-CG1 4.44Å; N509-V626 HydrophobicContact CB-CB 4.39Å; N509-V626 HydrophobicContact CB-CG1 4.38Å; N509-V626 HydrophobicContact CB-CG2 3.63Å; H624-V626 VanDerWaalsContact C-N 3.31Å; H624-V626 PolarHBondContact O-N 3.46Å; V626-T629 PolarHBondContact O-N 3.44Å; V626-L630 HydrophobicContact CG1-CD1 3.99Å; V626-L630 WeakPolarHBondContact O-CB 3.34Å; V626-L630 VanDerWaalsContact O-CG 3.29Å; V626-L630 WeakPolarHBondContact O-CG 3.38Å; V626-L630 PolarHBondContact O-N 3.49Å
627I94.3Very high93.6Very high0 Ų052.1 Ų52.10%026%0.264CS..Hα-helixtrans-67-46.7177.4-60.7177000109.7I385 L389 I506 F510 H624 T629 L630 Q631I385-I627 HydrophobicContact CG2-CD1 3.43Å; I385-I627 VanDerWaalsContact CG2-CD1 3.43Å; L389-I627 HydrophobicContact CB-CG2 4.32Å; L389-I627 HydrophobicContact CD2-CG2 4.26Å; I506-I627 HydrophobicContact CG2-CD1 4.5Å; I506-I627 HydrophobicContact CG2-CG1 3.99Å; F510-I627 HydrophobicContact CZ-CD1 4.28Å; H624-I627 HydrophobicContact CB-CD1 4.1Å; H624-I627 HydrophobicContact CB-CG1 4.28Å; H624-I627 WeakPolarHBondContact O-CB 3.26Å; H624-I627 PolarHBondContact O-N 3.11Å; I627-T629 VanDerWaalsContact C-N 3.32Å; I627-T629 PolarHBondContact O-N 3.29Å; I627-L630 PolarHBondContact O-N 3.49Å; I627-Q631 HydrophobicContact CG2-CG 4.43Å; I627-Q631 WeakPolarHBondContact O-CB 3.33Å; I627-Q631 WeakPolarHBondContact O-CG 3.25Å; I627-Q631 PolarHBondContact O-N 3.28Å
628A93.3Very high93.6Very high45 Ų4551.5 Ų51.537%0.37226%0.262SS..Hα-helixtrans-59.9-42.3177.700000112H624 S625 Q631 E632H624-A628 PolarHBondContact O-N 3.09Å; S625-A628 PolarHBondContact O-N 2.69Å; A628-Q631 PolarHBondContact O-N 2.98Å; A628-E632 PolarHBondContact O-N 3.1Å
629T93.7Very high93.6Very high91 Ų9154.4 Ų54.456%0.55828%0.282SS*.Hα-helixtrans-63.8-44.5178.2-560000111.7S625 V626 I627 E632 A633S625-T629 WeakPolarHBondContact O-CB 3.49Å; S625-T629 PolarHBondContact O-N 2.84Å; S625-T629 PolarHBondContact O-OG1 3.47Å; V626-T629 PolarHBondContact O-N 3.44Å; I627-T629 VanDerWaalsContact C-N 3.32Å; I627-T629 PolarHBondContact O-N 3.29Å; T629-E632 PolarHBondContact O-N 3.31Å; T629-A633 PolarHBondContact O-N 2.98Å
630L94.3Very high93.8Very high8 Ų850.4 Ų50.44%0.04226%0.262CS..Hα-helixtrans-68.1-35.6177.6-71170000112.4L389 P494 L502 Y505 I506 V626 I627 A633 C634L389-L630 HydrophobicContact CD1-CB 3.74Å; L389-L630 HydrophobicContact CD2-CB 3.8Å; L389-L630 HydrophobicContact CD2-CD1 3.99Å; L389-L630 HydrophobicContact CG-CB 4.45Å; P494-L630 HydrophobicContact CB-CD2 3.65Å; P494-L630 HydrophobicContact CG-CD2 3.97Å; L502-L630 HydrophobicContact CD1-CD1 4.1Å; Y505-L630 HydrophobicContact CD1-CD1 4.37Å; Y505-L630 HydrophobicContact CE1-CD1 4.27Å; Y505-L630 HydrophobicContact CE1-CD2 4.5Å; I506-L630 HydrophobicContact CD1-CD1 3.9Å; I506-L630 HydrophobicContact CG1-CD1 3.58Å; V626-L630 HydrophobicContact CG1-CD1 3.99Å; V626-L630 WeakPolarHBondContact O-CB 3.34Å; V626-L630 VanDerWaalsContact O-CG 3.29Å; V626-L630 WeakPolarHBondContact O-CG 3.38Å; V626-L630 PolarHBondContact O-N 3.49Å; I627-L630 PolarHBondContact O-N 3.49Å; L630-A633 PolarHBondContact O-N 2.91Å; L630-C634 PolarHBondContact O-N 3.29Å; L630-C634 PolarHBondContact O-SG 3.44Å; L630-C634 VanDerWaalsContact O-SG 3.38Å
631Q93.2Very high93.8Very high39 Ų3946.5 Ų46.518%0.18224%0.243CC..Hα-helixtrans-64.1-43.9174.4-77.1177.7-11.400111.3L389 I627 A628 A633 C634 K635L389-Q631 HydrophobicContact CB-CG 3.75Å; L389-Q631 HydrophobicContact CD1-CG 3.84Å; L389-Q631 HydrophobicContact CG-CG 4.33Å; I627-Q631 HydrophobicContact CG2-CG 4.43Å; I627-Q631 WeakPolarHBondContact O-CB 3.33Å; I627-Q631 WeakPolarHBondContact O-CG 3.25Å; I627-Q631 PolarHBondContact O-N 3.28Å; A628-Q631 PolarHBondContact O-N 2.98Å; Q631-A633 VanDerWaalsContact C-N 3.31Å; Q631-A633 PolarHBondContact O-N 3.41Å; Q631-C634 WeakPolarHBondContact O-CB 3.35Å; Q631-C634 PolarHBondContact O-N 3.02Å; Q631-K635 WeakPolarHBondContact O-CG 3.5Å; Q631-K635 PolarHBondContact O-N 3.38Å
632E93.4Very high93.9Very high116 Ų11651.5 Ų51.554%0.54227%0.265SS..Hα-helixtrans-63.2-40.6176.1-167.456.5-149.500111.2A628 T629 C634 K635 L636A628-E632 PolarHBondContact O-N 3.1Å; T629-E632 PolarHBondContact O-N 3.31Å; E632-C634 PolarHBondContact O-N 2.9Å; E632-K635 PolarHBondContact O-N 2.9Å; E632-L636 VanDerWaalsContact O-CB 3.29Å; E632-L636 WeakPolarHBondContact O-CB 3.23Å; E632-L636 PolarHBondContact O-N 3.34Å
633A94.2Very high94Very high8 Ų850.3 Ų50.37%0.06627%0.265CS..Hα-helixtrans-60.1-44.3173.100000112.2F492 T629 L630 Q631 F637F492-A633 HydrophobicContact CD1-CB 4.33Å; F492-A633 WeakPolarHBondContact CE1-O 3.39Å; T629-A633 PolarHBondContact O-N 2.98Å; L630-A633 PolarHBondContact O-N 2.91Å; Q631-A633 VanDerWaalsContact C-N 3.31Å; Q631-A633 PolarHBondContact O-N 3.41Å; A633-F637 VanDerWaalsContact O-CB 3.23Å; A633-F637 WeakPolarHBondContact O-CB 3.46Å; A633-F637 PolarHBondContact O-N 2.93Å
634C94.2Very high94.3Very high0 Ų043.1 Ų43.10%023%0.232CC..Hα-helixtrans-60.5-46.6175.2-76.80000112.5E392 L495 L630 Q631 E632 F637 L638E392-C634 HydrophobicContact CB-CB 3.83Å; L495-C634 WeakPolarHBondContact CD2-SG 3.35Å; L630-C634 PolarHBondContact O-N 3.29Å; L630-C634 PolarHBondContact O-SG 3.44Å; L630-C634 VanDerWaalsContact O-SG 3.38Å; Q631-C634 WeakPolarHBondContact O-CB 3.35Å; Q631-C634 PolarHBondContact O-N 3.02Å; E632-C634 PolarHBondContact O-N 2.9Å; C634-F637 PolarHBondContact O-N 3.48Å; C634-L638 WeakPolarHBondContact O-CG 3.37Å; C634-L638 PolarHBondContact O-N 3.23Å
635K93.3Very high94.4Very high95 Ų9544.8 Ų44.841%0.41324%0.24SC..Hα-helixtrans-64.5-45.8-180-71.3172-170.2168.50111.5E392 Q631 E632 L638 S639E392-K635 WeakPolarHBondContact OE1-CE 3.33Å; Q631-K635 WeakPolarHBondContact O-CG 3.5Å; Q631-K635 PolarHBondContact O-N 3.38Å; E632-K635 PolarHBondContact O-N 2.9Å; K635-L638 PolarHBondContact O-N 2.89Å; K635-S639 PolarHBondContact O-N 2.99Å
636L94.7Very high94.5Very high33 Ų3346.5 Ų46.517%0.17324%0.238CC..Hα-helixtrans-62.7-44177.5-17761.1000111.1L484 H488 F492 E632 L638 S639 I640L484-L636 HydrophobicContact CD2-CD1 4.19Å; H488-L636 HydrophobicContact CB-CD2 3.81Å; F492-L636 HydrophobicContact CE1-CB 4.31Å; F492-L636 HydrophobicContact CE1-CD2 4.36Å; F492-L636 HydrophobicContact CE1-CG 4.33Å; F492-L636 HydrophobicContact CZ-CD2 4.15Å; F492-L636 HydrophobicContact CZ-CG 4.08Å; E632-L636 VanDerWaalsContact O-CB 3.29Å; E632-L636 WeakPolarHBondContact O-CB 3.23Å; E632-L636 PolarHBondContact O-N 3.34Å; L636-L638 VanDerWaalsContact C-N 3.35Å; L636-L638 PolarHBondContact O-N 3.46Å; L636-S639 PolarHBondContact O-N 3.35Å; L636-I640 HydrophobicContact CD1-CD1 4.1Å; L636-I640 HydrophobicContact CD1-CG1 4.2Å; L636-I640 HydrophobicContact CG-CD1 3.94Å; L636-I640 HydrophobicContact CG-CG1 4.44Å; L636-I640 WeakPolarHBondContact O-CG1 3.29Å; L636-I640 PolarHBondContact O-N 2.91Å
637F95.5Very high94.6Very high2 Ų246 Ų461%0.00924%0.235CC..Hα-helixtrans-54.5-49.6173.9173.2-92.1000111.8S396 V402 L405 F492 L495 A633 C634 S639 R641S396-F637 VanDerWaalsContact CB-CD1 3.46Å; V402-F637 HydrophobicContact CG2-CD2 4.43Å; V402-F637 HydrophobicContact CG2-CE2 4.15Å; L405-F637 HydrophobicContact CB-CE2 3.83Å; L405-F637 HydrophobicContact CB-CZ 4.22Å; L405-F637 HydrophobicContact CD2-CD2 3.58Å; L405-F637 HydrophobicContact CD2-CE2 3.4Å; L405-F637 HydrophobicContact CD2-CG 4.44Å; L405-F637 HydrophobicContact CD2-CZ 4.15Å; L405-F637 HydrophobicContact CG-CE2 4.26Å; F492-F637 HydrophobicContact CD1-CB 3.97Å; F492-F637 HydrophobicContact CD2-CD2 4.38Å; F492-F637 HydrophobicContact CE1-CB 3.88Å; F492-F637 HydrophobicContact CG-CD2 4.28Å; F492-F637 HydrophobicContact CZ-CB 4.38Å; L495-F637 HydrophobicContact CD1-CB 4.03Å; L495-F637 HydrophobicContact CD1-CG 4.27Å; A633-F637 VanDerWaalsContact O-CB 3.23Å; A633-F637 WeakPolarHBondContact O-CB 3.46Å; A633-F637 PolarHBondContact O-N 2.93Å; C634-F637 PolarHBondContact O-N 3.48Å; F637-S639 VanDerWaalsContact C-N 3.34Å; F637-S639 PolarHBondContact O-N 3.4Å; F637-R641 WeakPolarHBondContact O-CB 3.49Å; F637-R641 PolarHBondContact O-N 3.37Å
638L93.7Very high94.6Very high44 Ų4448 Ų4823%0.2325%0.245CC..Hα-helixtrans-66.3-35.1179.7-69.5174.2000112.5K395 C634 K635 L636 K642K395-L638 HydrophobicContact CB-CD1 4.28Å; K395-L638 HydrophobicContact CB-CD2 4.45Å; C634-L638 WeakPolarHBondContact O-CG 3.37Å; C634-L638 PolarHBondContact O-N 3.23Å; K635-L638 PolarHBondContact O-N 2.89Å; L636-L638 VanDerWaalsContact C-N 3.35Å; L636-L638 PolarHBondContact O-N 3.46Å; L638-K642 WeakPolarHBondContact O-CB 3.47Å; L638-K642 PolarHBondContact O-N 3.02Å; L638-K642 VanDerWaalsContact O-N 3.07Å
639S94.5Very high94.8Very high60 Ų6051.5 Ų51.542%0.4225%0.254SS..Hα-helixtrans-65.6-52.4175.8-166.40000111.5K635 L636 F637 R641 K642 D643K635-S639 PolarHBondContact O-N 2.99Å; L636-S639 PolarHBondContact O-N 3.35Å; F637-S639 VanDerWaalsContact C-N 3.34Å; F637-S639 PolarHBondContact O-N 3.4Å; S639-R641 VanDerWaalsContact C-N 3.27Å; S639-R641 PolarHBondContact O-N 3.01Å; S639-K642 WeakPolarHBondContact O-CB 3.47Å; S639-K642 PolarHBondContact O-N 3.45Å; S639-K642 VanDerWaalsContact O-N 3.1Å; S639-D643 PolarHBondContact O-N 3.23Å
640I95.9Very high94.8Very high1 Ų150 Ų501%0.00524%0.238CC..Hα-helixtrans-57.4-45.1178.1-67.1172.5000109.9L405 V481 L484 F485 F492 L636 K642 D643 V644L405-I640 HydrophobicContact CD1-CG2 4.42Å; L405-I640 HydrophobicContact CD2-CB 4.47Å; L405-I640 HydrophobicContact CD2-CG2 4.09Å; V481-I640 HydrophobicContact CG1-CG2 4.14Å; L484-I640 HydrophobicContact CD2-CD1 4.18Å; L484-I640 HydrophobicContact CD2-CG1 3.96Å; L484-I640 HydrophobicContact CG-CD1 4Å; L484-I640 HydrophobicContact CG-CG1 4.32Å; F485-I640 HydrophobicContact CB-CD1 4.43Å; F485-I640 HydrophobicContact CB-CG2 4.05Å; F485-I640 HydrophobicContact CD2-CG2 4.2Å; F492-I640 HydrophobicContact CE2-CD1 4.16Å; F492-I640 HydrophobicContact CZ-CD1 3.88Å; L636-I640 HydrophobicContact CD1-CD1 4.1Å; L636-I640 HydrophobicContact CD1-CG1 4.2Å; L636-I640 HydrophobicContact CG-CD1 3.94Å; L636-I640 HydrophobicContact CG-CG1 4.44Å; L636-I640 WeakPolarHBondContact O-CG1 3.29Å; L636-I640 PolarHBondContact O-N 2.91Å; I640-K642 VanDerWaalsContact C-N 3.33Å; I640-K642 PolarHBondContact O-N 3.02Å; I640-D643 PolarHBondContact O-N 3.07Å; I640-V644 HydrophobicContact CG2-CG2 4.17Å; I640-V644 WeakPolarHBondContact O-CB 3.29Å; I640-V644 VanDerWaalsContact O-CG2 3.26Å; I640-V644 WeakPolarHBondContact O-CG2 3.45Å; I640-V644 PolarHBondContact O-N 3.19Å
641R94.6Very high94.9Very high57 Ų5749.6 Ų49.622%0.21524%0.236CC..Hα-helixtrans-56.8-46.4177-171.5-173.189.893.712.9112.3S399 L405 F637 S639 D643 V644 E645S399-R641 VanDerWaalsContact CB-CD 3.45Å; S399-R641 PolarHBondContact OG-NE 3.46Å; L405-R641 HydrophobicContact CD1-CB 4.03Å; L405-R641 HydrophobicContact CD1-CG 4.21Å; L405-R641 HydrophobicContact CD2-CB 4.41Å; F637-R641 WeakPolarHBondContact O-CB 3.49Å; F637-R641 PolarHBondContact O-N 3.37Å; S639-R641 VanDerWaalsContact C-N 3.27Å; S639-R641 PolarHBondContact O-N 3.01Å; R641-D643 VanDerWaalsContact C-N 3.3Å; R641-D643 PolarHBondContact O-N 3.32Å; R641-V644 PolarHBondContact O-N 3.42Å; R641-E645 IonicContact CZ-OE1 2.63Å; R641-E645 IonicContact CZ-OE2 3.71Å; R641-E645 IonicContact NH1-OE1 3.3Å; R641-E645 PolarHBondContact NH1-OE1 3.2Å; R641-E645 IonicContact NH1-OE2 2.69Å; R641-E645 PolarHBondContact NH1-OE2 2.95Å; R641-E645 IonicContact NH2-OE1 3.63Å; R641-E645 IonicContact NH2-OE2 2.75Å; R641-E645 PolarHBondContact NH2-OE2 2.97Å; R641-E645 WeakPolarHBondContact O-CB 3.47Å; R641-E645 WeakPolarHBondContact O-CG 3.42Å; R641-E645 PolarHBondContact O-N 3.47Å
642K95.3Very high94.9Very high121 Ų12150.2 Ų50.253%0.52624%0.244SC..Hα-helixtrans-61.5-40.5179.2-176.8-178.5-178.8-178.20111.4L638 S639 I640 K646L638-K642 WeakPolarHBondContact O-CB 3.47Å; L638-K642 PolarHBondContact O-N 3.02Å; L638-K642 VanDerWaalsContact O-N 3.07Å; S639-K642 WeakPolarHBondContact O-CB 3.47Å; S639-K642 PolarHBondContact O-N 3.45Å; S639-K642 VanDerWaalsContact O-N 3.1Å; I640-K642 VanDerWaalsContact C-N 3.33Å; I640-K642 PolarHBondContact O-N 3.02Å; K642-K646 VanDerWaalsContact O-CG 3.29Å; K642-K646 WeakPolarHBondContact O-CG 3.48Å; K642-K646 PolarHBondContact O-N 3.09Å
643D95.6Very high95Very high61 Ų6148.2 Ų48.233%0.32624%0.235SC..Hα-helixtrans-72.5-39-179.9-65.5-26.7000111.9V481 S639 I640 R641 K646 S647V481-D643 HydrophobicContact CG2-CB 4.12Å; S639-D643 PolarHBondContact O-N 3.23Å; I640-D643 PolarHBondContact O-N 3.07Å; R641-D643 VanDerWaalsContact C-N 3.3Å; R641-D643 PolarHBondContact O-N 3.32Å; D643-K646 PolarHBondContact O-N 3.44Å; D643-K646 IonicContact OD1-NZ 2.66Å; D643-S647 WeakPolarHBondContact O-CB 3.24Å; D643-S647 PolarHBondContact O-N 3.23Å
644V96.3Very high94.9Very high0 Ų049.5 Ų49.50%024%0.239CC..Hα-helixtrans-61.2-44.3171.6171.50000111.4L405 K408 V409 L412 V481 I640 R641 S647 L648L405-V644 HydrophobicContact CD1-CB 4.33Å; L405-V644 HydrophobicContact CD1-CG1 4.48Å; L405-V644 HydrophobicContact CD1-CG2 4.18Å; K408-V644 HydrophobicContact CB-CG1 3.67Å; V409-V644 HydrophobicContact CG2-CG1 4.48Å; V409-V644 HydrophobicContact CG2-CG2 3.68Å; L412-V644 HydrophobicContact CD1-CB 4.29Å; L412-V644 HydrophobicContact CD1-CG1 3.96Å; L412-V644 HydrophobicContact CD1-CG2 4.07Å; L412-V644 HydrophobicContact CG-CG1 4.42Å; V481-V644 HydrophobicContact CG1-CG2 3.59Å; I640-V644 HydrophobicContact CG2-CG2 4.17Å; I640-V644 WeakPolarHBondContact O-CB 3.29Å; I640-V644 VanDerWaalsContact O-CG2 3.26Å; I640-V644 WeakPolarHBondContact O-CG2 3.45Å; I640-V644 PolarHBondContact O-N 3.19Å; R641-V644 PolarHBondContact O-N 3.42Å; V644-S647 PolarHBondContact O-N 3.35Å; V644-L648 HydrophobicContact CG1-CD1 3.97Å; V644-L648 HydrophobicContact CG1-CG 4.37Å; V644-L648 WeakPolarHBondContact O-CB 3.49Å; V644-L648 VanDerWaalsContact O-CG 3.31Å; V644-L648 WeakPolarHBondContact O-CG 3.48Å; V644-L648 PolarHBondContact O-N 3.41Å
645E95.4Very high94.9Very high60 Ų6053.2 Ų53.228%0.2826%0.256SS..Hα-helixtrans-65.2-40.1178.6-75.9178.2165.100112.4K408 R641 H649K408-E645 IonicContact NZ-OE1 3.77Å; K408-E645 PolarHBondContact NZ-OE1 2.99Å; R641-E645 IonicContact CZ-OE1 2.63Å; R641-E645 IonicContact CZ-OE2 3.71Å; R641-E645 IonicContact NH1-OE1 3.3Å; R641-E645 PolarHBondContact NH1-OE1 3.2Å; R641-E645 IonicContact NH1-OE2 2.69Å; R641-E645 PolarHBondContact NH1-OE2 2.95Å; R641-E645 IonicContact NH2-OE1 3.63Å; R641-E645 IonicContact NH2-OE2 2.75Å; R641-E645 PolarHBondContact NH2-OE2 2.97Å; R641-E645 WeakPolarHBondContact O-CB 3.47Å; R641-E645 WeakPolarHBondContact O-CG 3.42Å; R641-E645 PolarHBondContact O-N 3.47Å; E645-H649 WeakPolarHBondContact O-CB 3.48Å; E645-H649 PolarHBondContact O-N 3.07Å
646K95.2Very high95Very high114 Ų11453.4 Ų53.450%0.49626%0.257SS..Hα-helixtrans-62.9-42.6173-75.3171179.9173.40111.9K642 D643 H649 W650K642-K646 VanDerWaalsContact O-CG 3.29Å; K642-K646 WeakPolarHBondContact O-CG 3.48Å; K642-K646 PolarHBondContact O-N 3.09Å; D643-K646 PolarHBondContact O-N 3.44Å; D643-K646 IonicContact OD1-NZ 2.66Å; K646-H649 PolarHBondContact O-N 3Å; K646-W650 WeakPolarHBondContact O-CB 3.38Å; K646-W650 PolarHBondContact O-N 3.27Å
647S95.4Very high94.9Very high10 Ų1054.7 Ų54.77%0.0726%0.264CS..Hα-helixtrans-66.2-46.1179.11780000111.6L412 D478 D643 V644 H649 W650 H651L412-S647 VanDerWaalsContact CD2-OG 3.29Å; L412-S647 WeakPolarHBondContact CD2-OG 3.4Å; D478-S647 WeakPolarHBondContact OD1-CB 3.31Å; D478-S647 PolarHBondContact OD1-OG 3.49Å; D478-S647 PolarHBondContact OD2-OG 3.28Å; D643-S647 WeakPolarHBondContact O-CB 3.24Å; D643-S647 PolarHBondContact O-N 3.23Å; V644-S647 PolarHBondContact O-N 3.35Å; S647-H649 VanDerWaalsContact C-N 3.28Å; S647-H649 PolarHBondContact O-N 2.8Å; S647-W650 WeakPolarHBondContact O-CB 3.38Å; S647-W650 PolarHBondContact O-N 3.04Å; S647-W650 VanDerWaalsContact O-N 3.1Å; S647-H651 PolarHBondContact O-CD2 3.08Å; S647-H651 PolarHBondContact O-N 3.38Å; S647-H651 PolarHBondContact OG-CD2 3.32Å
648L96.2Very high94.8Very high43 Ų4354.6 Ų54.623%0.22526%0.263CS..Hα-helixtrans-57.1-43.1174.6-72.9171.4000111.9K408 L412 L415 V644 S652K408-L648 HydrophobicContact CB-CD1 4Å; K408-L648 HydrophobicContact CD-CD1 4.27Å; K408-L648 HydrophobicContact CG-CD1 4.04Å; L412-L648 HydrophobicContact CD2-CD2 3.61Å; L412-L648 HydrophobicContact CD2-CG 3.77Å; L412-L648 HydrophobicContact CG-CD2 4.18Å; L412-L648 HydrophobicContact CG-CG 4.38Å; L415-L648 HydrophobicContact CD1-CD2 3.77Å; V644-L648 HydrophobicContact CG1-CD1 3.97Å; V644-L648 HydrophobicContact CG1-CG 4.37Å; V644-L648 WeakPolarHBondContact O-CB 3.49Å; V644-L648 VanDerWaalsContact O-CG 3.31Å; V644-L648 WeakPolarHBondContact O-CG 3.48Å; V644-L648 PolarHBondContact O-N 3.41Å; L648-S652 WeakPolarHBondContact O-CB 3.48Å; L648-S652 PolarHBondContact O-N 3.22Å
649H95.9Very high94.9Very high118 Ų11855.9 Ų55.955%0.54627%0.27SS..Hα-helixtrans-64.3-44175.6-178.550.5000111.9E645 K646 S647 H651 S652 E653E645-H649 WeakPolarHBondContact O-CB 3.48Å; E645-H649 PolarHBondContact O-N 3.07Å; K646-H649 PolarHBondContact O-N 3Å; S647-H649 VanDerWaalsContact C-N 3.28Å; S647-H649 PolarHBondContact O-N 2.8Å; H649-H651 PolarHBondContact O-N 3.04Å; H649-S652 WeakPolarHBondContact O-CB 3.41Å; H649-S652 PolarHBondContact O-N 3.01Å; H649-E653 IonicContact CE1-OE1 2.72Å; H649-E653 PolarHBondContact O-N 2.93Å
650W95.2Very high94.9Very high60 Ų6058.9 Ų58.923%0.22728%0.278CS..Hα-helixtrans-59.1-47.4176.9-175.892.8000111.8V471 V474 K646 S647 S652 E653 F654V471-W650 HydrophobicContact CB-CH2 4.27Å; V471-W650 HydrophobicContact CG2-CH2 3.81Å; V471-W650 HydrophobicContact CG2-CZ3 4.33Å; V474-W650 HydrophobicContact CB-CD2 4.28Å; V474-W650 HydrophobicContact CB-CE3 3.97Å; V474-W650 HydrophobicContact CB-CH2 4.09Å; V474-W650 HydrophobicContact CB-CZ2 4.33Å; V474-W650 HydrophobicContact CB-CZ3 3.89Å; V474-W650 HydrophobicContact CG1-CD2 4.08Å; V474-W650 HydrophobicContact CG1-CE3 3.66Å; V474-W650 HydrophobicContact CG1-CZ3 3.99Å; V474-W650 HydrophobicContact CG2-CD2 3.74Å; V474-W650 HydrophobicContact CG2-CE3 3.95Å; V474-W650 HydrophobicContact CG2-CG 4.39Å; V474-W650 HydrophobicContact CG2-CH2 3.92Å; V474-W650 HydrophobicContact CG2-CZ2 3.64Å; V474-W650 HydrophobicContact CG2-CZ3 4.05Å; K646-W650 WeakPolarHBondContact O-CB 3.38Å; K646-W650 PolarHBondContact O-N 3.27Å; S647-W650 WeakPolarHBondContact O-CB 3.38Å; S647-W650 PolarHBondContact O-N 3.04Å; S647-W650 VanDerWaalsContact O-N 3.1Å; W650-S652 VanDerWaalsContact C-N 3.28Å; W650-S652 PolarHBondContact O-N 3Å; W650-E653 PolarHBondContact O-N 3.01Å; W650-F654 AromaticContact CD2-CD2 3.83Å; W650-F654 HydrophobicContact CD2-CD2 3.83Å; W650-F654 HydrophobicContact CD2-CE2 4.33Å; W650-F654 HydrophobicContact CD2-CG 4.25Å; W650-F654 AromaticContact CE2-CD2 3.27Å; W650-F654 AromaticContact CE2-CE2 3.36Å; W650-F654 AromaticContact CE2-CG 3.81Å; W650-F654 AromaticContact CE2-CZ 3.95Å; W650-F654 HydrophobicContact CE3-CB 4.3Å; W650-F654 HydrophobicContact CE3-CD2 4.36Å; W650-F654 HydrophobicContact CE3-CG 4.33Å; W650-F654 HydrophobicContact CG-CD2 4.36Å; W650-F654 HydrophobicContact CH2-CB 4.03Å; W650-F654 AromaticContact CH2-CD1 3.53Å; W650-F654 HydrophobicContact CH2-CD1 3.53Å; W650-F654 AromaticContact CH2-CD2 3.9Å; W650-F654 HydrophobicContact CH2-CD2 3.9Å; W650-F654 AromaticContact CH2-CE1 3.91Å; W650-F654 HydrophobicContact CH2-CE1 3.91Å; W650-F654 HydrophobicContact CH2-CE2 4.26Å; W650-F654 AromaticContact CH2-CG 3.51Å; W650-F654 HydrophobicContact CH2-CG 3.51Å; W650-F654 HydrophobicContact CH2-CZ 4.26Å; W650-F654 HydrophobicContact CZ2-CB 4.35Å; W650-F654 AromaticContact CZ2-CD1 3.56Å; W650-F654 HydrophobicContact CZ2-CD1 3.56Å; W650-F654 AromaticContact CZ2-CD2 3.34Å; W650-F654 HydrophobicContact CZ2-CD2 3.34Å; W650-F654 AromaticContact CZ2-CE1 3.54Å; W650-F654 HydrophobicContact CZ2-CE1 3.54Å; W650-F654 AromaticContact CZ2-CE2 3.34Å; W650-F654 HydrophobicContact CZ2-CE2 3.34Å; W650-F654 AromaticContact CZ2-CG 3.45Å; W650-F654 HydrophobicContact CZ2-CG 3.45Å; W650-F654 VanDerWaalsContact CZ2-CG 3.45Å; W650-F654 AromaticContact CZ2-CZ 3.43Å; W650-F654 HydrophobicContact CZ2-CZ 3.43Å; W650-F654 VanDerWaalsContact CZ2-CZ 3.43Å; W650-F654 HydrophobicContact CZ3-CB 4.02Å; W650-F654 HydrophobicContact CZ3-CD1 4.36Å; W650-F654 HydrophobicContact CZ3-CD2 4.38Å; W650-F654 AromaticContact CZ3-CG 3.99Å; W650-F654 HydrophobicContact CZ3-CG 3.99Å; W650-F654 AromaticContact NE1-CD2 3.55Å; W650-F654 AromaticContact NE1-CE2 3.3Å; W650-F654 VanDerWaalsContact NE1-CE2 3.3Å; W650-F654 WeakPolarHBondContact O-CB 3.38Å; W650-F654 PolarHBondContact O-N 3.21Å
651H95.5Very high94.8Very high0 Ų059 Ų590%028%0.278CS..Hα-helixtrans-62.2-35.4177.4-80.1-68.4000112.5L415 R419 D478 S647 H649 E655L415-H651 HydrophobicContact CB-CB 4.15Å; L415-H651 HydrophobicContact CD1-CB 3.76Å; L415-H651 HydrophobicContact CG-CB 4.44Å; R419-H651 PolarHBondContact NE-O 3.4Å; D478-H651 IonicContact OD2-CD2 2.95Å; D478-H651 IonicContact OD2-CE1 2.68Å; D478-H651 IonicContact OD2-NE2 3.78Å; D478-H651 PolarHBondContact OD2-NE2 3.08Å; S647-H651 PolarHBondContact O-CD2 3.08Å; S647-H651 PolarHBondContact O-N 3.38Å; S647-H651 PolarHBondContact OG-CD2 3.32Å; H649-H651 PolarHBondContact O-N 3.04Å; H651-E655 WeakPolarHBondContact O-CB 3.36Å; H651-E655 PolarHBondContact O-N 2.9Å
652S94.3Very high94.9Very high51 Ų5157.9 Ų57.936%0.35728%0.277SS..Hα-helixtrans-68.1-40.3176-177.20000112.6L648 H649 W650 E655L648-S652 WeakPolarHBondContact O-CB 3.48Å; L648-S652 PolarHBondContact O-N 3.22Å; H649-S652 WeakPolarHBondContact O-CB 3.41Å; H649-S652 PolarHBondContact O-N 3.01Å; W650-S652 VanDerWaalsContact C-N 3.28Å; W650-S652 PolarHBondContact O-N 3Å; S652-E655 WeakPolarHBondContact O-CB 3.47Å
653E94.1Very high94.9Very high75 Ų7557 Ų5735%0.3527%0.274SS..Hα-helixtrans-71.5-40.8175.5-67.4-55.5121.300111.5H649 W650 E655 K656 I657H649-E653 IonicContact CE1-OE1 2.72Å; H649-E653 PolarHBondContact O-N 2.93Å; W650-E653 PolarHBondContact O-N 3.01Å; E653-E655 VanDerWaalsContact C-N 3.31Å; E653-E655 PolarHBondContact O-N 3.23Å; E653-K656 WeakPolarHBondContact O-CB 3.05Å; E653-K656 PolarHBondContact O-N 3.49Å; E653-K656 IonicContact OE1-NZ 3.6Å; E653-K656 PolarHBondContact OE1-NZ 2.97Å; E653-K656 IonicContact OE2-NZ 3.72Å; E653-I657 PolarHBondContact O-N 3.37Å
654F92.2Very high94.9Very high35 Ų3558.4 Ų58.415%0.15428%0.281CS..Hα-helixtrans-68.6-29176.9-98.6-105.8000113.2I467 V471 W650 K656 I657 C658I467-F654 HydrophobicContact CG2-CD1 3.96Å; I467-F654 HydrophobicContact CG2-CE1 4.03Å; V471-F654 HydrophobicContact CG2-CD1 4.34Å; W650-F654 AromaticContact CD2-CD2 3.83Å; W650-F654 HydrophobicContact CD2-CD2 3.83Å; W650-F654 HydrophobicContact CD2-CE2 4.33Å; W650-F654 HydrophobicContact CD2-CG 4.25Å; W650-F654 AromaticContact CE2-CD2 3.27Å; W650-F654 AromaticContact CE2-CE2 3.36Å; W650-F654 AromaticContact CE2-CG 3.81Å; W650-F654 AromaticContact CE2-CZ 3.95Å; W650-F654 HydrophobicContact CE3-CB 4.3Å; W650-F654 HydrophobicContact CE3-CD2 4.36Å; W650-F654 HydrophobicContact CE3-CG 4.33Å; W650-F654 HydrophobicContact CG-CD2 4.36Å; W650-F654 HydrophobicContact CH2-CB 4.03Å; W650-F654 AromaticContact CH2-CD1 3.53Å; W650-F654 HydrophobicContact CH2-CD1 3.53Å; W650-F654 AromaticContact CH2-CD2 3.9Å; W650-F654 HydrophobicContact CH2-CD2 3.9Å; W650-F654 AromaticContact CH2-CE1 3.91Å; W650-F654 HydrophobicContact CH2-CE1 3.91Å; W650-F654 HydrophobicContact CH2-CE2 4.26Å; W650-F654 AromaticContact CH2-CG 3.51Å; W650-F654 HydrophobicContact CH2-CG 3.51Å; W650-F654 HydrophobicContact CH2-CZ 4.26Å; W650-F654 HydrophobicContact CZ2-CB 4.35Å; W650-F654 AromaticContact CZ2-CD1 3.56Å; W650-F654 HydrophobicContact CZ2-CD1 3.56Å; W650-F654 AromaticContact CZ2-CD2 3.34Å; W650-F654 HydrophobicContact CZ2-CD2 3.34Å; W650-F654 AromaticContact CZ2-CE1 3.54Å; W650-F654 HydrophobicContact CZ2-CE1 3.54Å; W650-F654 AromaticContact CZ2-CE2 3.34Å; W650-F654 HydrophobicContact CZ2-CE2 3.34Å; W650-F654 AromaticContact CZ2-CG 3.45Å; W650-F654 HydrophobicContact CZ2-CG 3.45Å; W650-F654 VanDerWaalsContact CZ2-CG 3.45Å; W650-F654 AromaticContact CZ2-CZ 3.43Å; W650-F654 HydrophobicContact CZ2-CZ 3.43Å; W650-F654 VanDerWaalsContact CZ2-CZ 3.43Å; W650-F654 HydrophobicContact CZ3-CB 4.02Å; W650-F654 HydrophobicContact CZ3-CD1 4.36Å; W650-F654 HydrophobicContact CZ3-CD2 4.38Å; W650-F654 AromaticContact CZ3-CG 3.99Å; W650-F654 HydrophobicContact CZ3-CG 3.99Å; W650-F654 AromaticContact NE1-CD2 3.55Å; W650-F654 AromaticContact NE1-CE2 3.3Å; W650-F654 VanDerWaalsContact NE1-CE2 3.3Å; W650-F654 WeakPolarHBondContact O-CB 3.38Å; W650-F654 PolarHBondContact O-N 3.21Å; F654-K656 VanDerWaalsContact C-N 3.29Å; F654-K656 PolarHBondContact O-N 3.24Å; F654-I657 HydrophobicContact CD2-CD1 4.23Å; F654-I657 HydrophobicContact CE2-CD1 4.26Å; F654-I657 HydrophobicContact CG-CD1 4.48Å; F654-I657 PolarHBondContact O-N 3.09Å; F654-C658 WeakPolarHBondContact O-CB 3.46Å; F654-C658 PolarHBondContact O-N 3.39Å; F654-C658 PolarHBondContact O-SG 2.99Å
655E94.2Very high94.8Very high77 Ų7758.4 Ų58.436%0.3628%0.281SS..Hα-helixtrans-57-44.5170-170.7177.5174.500111.9R419 H651 S652 E653 C658 N659R419-E655 IonicContact CZ-OE2 3.71Å; R419-E655 IonicContact NH2-OE1 3.99Å; R419-E655 IonicContact NH2-OE2 3.74Å; R419-E655 PolarHBondContact NH2-OE2 2.99Å; H651-E655 WeakPolarHBondContact O-CB 3.36Å; H651-E655 PolarHBondContact O-N 2.9Å; S652-E655 WeakPolarHBondContact O-CB 3.47Å; E653-E655 VanDerWaalsContact C-N 3.31Å; E653-E655 PolarHBondContact O-N 3.23Å; E655-C658 PolarHBondContact O-N 3.22Å; E655-N659 WeakPolarHBondContact O-CB 3.29Å; E655-N659 VanDerWaalsContact O-CG 3.22Å; E655-N659 PolarHBondContact O-N 3.41Å; E655-N659 PolarHBondContact O-ND2 3.46Å
656K94.8Very high94.8Very high100 Ų10058.2 Ų58.244%0.43528%0.282SS..Hα-helixtrans-62.4-45.7177.1-61.4170.5-173.2164.80110.8E653 F654 C658 N659 E660E653-K656 WeakPolarHBondContact O-CB 3.05Å; E653-K656 PolarHBondContact O-N 3.49Å; E653-K656 IonicContact OE1-NZ 3.6Å; E653-K656 PolarHBondContact OE1-NZ 2.97Å; E653-K656 IonicContact OE2-NZ 3.72Å; F654-K656 VanDerWaalsContact C-N 3.29Å; F654-K656 PolarHBondContact O-N 3.24Å; K656-C658 PolarHBondContact O-N 3.28Å; K656-N659 PolarHBondContact O-N 3.36Å; K656-E660 WeakPolarHBondContact O-CB 3.05Å; K656-E660 WeakPolarHBondContact O-CG 3.44Å; K656-E660 PolarHBondContact O-N 2.98Å
657I94.1Very high94.8Very high59 Ų5956.4 Ų56.430%0.30328%0.278SS..Hα-helixtrans-60.6-45178-62.4171.4000111I467 E653 F654 N659 E660 E661I467-I657 HydrophobicContact CD1-CG2 3.89Å; I467-I657 HydrophobicContact CG1-CG2 4.38Å; E653-I657 PolarHBondContact O-N 3.37Å; F654-I657 HydrophobicContact CD2-CD1 4.23Å; F654-I657 HydrophobicContact CE2-CD1 4.26Å; F654-I657 HydrophobicContact CG-CD1 4.48Å; F654-I657 PolarHBondContact O-N 3.09Å; I657-N659 VanDerWaalsContact C-N 3.33Å; I657-N659 PolarHBondContact O-N 2.64Å; I657-E660 PolarHBondContact O-N 3.42Å; I657-E661 WeakPolarHBondContact O-CB 3.22Å; I657-E661 PolarHBondContact O-N 3.46Å
658C93.4Very high94.8Very high0 Ų057.8 Ų57.80%028%0.283CS..Hα-helixtrans-61.7-41.9176.9-71.20000111.6T422 F654 E655 K656 E661 L662T422-C658 HydrophobicContact CG2-CB 3.9Å; F654-C658 WeakPolarHBondContact O-CB 3.46Å; F654-C658 PolarHBondContact O-N 3.39Å; F654-C658 PolarHBondContact O-SG 2.99Å; E655-C658 PolarHBondContact O-N 3.22Å; K656-C658 PolarHBondContact O-N 3.28Å; C658-E661 PolarHBondContact O-N 3.15Å; C658-L662 VanDerWaalsContact O-CB 3.27Å; C658-L662 WeakPolarHBondContact O-CB 3.35Å; C658-L662 PolarHBondContact O-N 3.27Å
659N94.5Very high94.6Very high72 Ų7256.6 Ų56.639%0.38528%0.278SS..Hα-helixtrans-71.7-36.6179.8-69.8-22000112.6E655 K656 I657 L662 Q663E655-N659 WeakPolarHBondContact O-CB 3.29Å; E655-N659 VanDerWaalsContact O-CG 3.22Å; E655-N659 PolarHBondContact O-N 3.41Å; E655-N659 PolarHBondContact O-ND2 3.46Å; K656-N659 PolarHBondContact O-N 3.36Å; I657-N659 VanDerWaalsContact C-N 3.33Å; I657-N659 PolarHBondContact O-N 2.64Å; N659-L662 WeakPolarHBondContact O-CB 3.47Å; N659-L662 PolarHBondContact O-N 3.12Å; N659-Q663 WeakPolarHBondContact O-CB 3.3Å; N659-Q663 PolarHBondContact O-N 3.36Å
660E95Very high94.5Very high123 Ų12355.3 Ų55.358%0.57527%0.274SS*.Hα-helixtrans-63.5-45172.5-75.5171.8-172.200110.9K656 I657 L662 Q663 L664K656-E660 WeakPolarHBondContact O-CB 3.05Å; K656-E660 WeakPolarHBondContact O-CG 3.44Å; K656-E660 PolarHBondContact O-N 2.98Å; I657-E660 PolarHBondContact O-N 3.42Å; E660-L662 VanDerWaalsContact C-N 3.34Å; E660-Q663 PolarHBondContact O-N 3.28Å; E660-L664 VanDerWaalsContact O-CG 3.31Å; E660-L664 WeakPolarHBondContact O-CG 3.26Å; E660-L664 PolarHBondContact O-N 3.35Å
661E94.2Very high94.4Very high3 Ų355.2 Ų55.21%0.01429%0.286CS..Hα-helixtrans-64.9-40.6176.5-166.667.9178.200111.7I426 F460 K463 V464 I657 C658 Q663 L664 V665I426-E661 HydrophobicContact CD1-CB 4.05Å; I426-E661 HydrophobicContact CD1-CG 4.08Å; F460-E661 WeakPolarHBondContact CD1-OE1 3.45Å; K463-E661 WeakPolarHBondContact CD-OE1 3.42Å; K463-E661 WeakPolarHBondContact CD-OE2 3.26Å; K463-E661 WeakPolarHBondContact CE-OE2 3.49Å; K463-E661 IonicContact NZ-OE2 3.74Å; K463-E661 PolarHBondContact NZ-OE2 3.02Å; V464-E661 HydrophobicContact CG2-CG 4.38Å; I657-E661 WeakPolarHBondContact O-CB 3.22Å; I657-E661 PolarHBondContact O-N 3.46Å; C658-E661 PolarHBondContact O-N 3.15Å; E661-Q663 VanDerWaalsContact C-N 3.31Å; E661-Q663 PolarHBondContact O-N 3.08Å; E661-L664 PolarHBondContact O-N 2.95Å; E661-V665 WeakPolarHBondContact O-CB 3.48Å; E661-V665 WeakPolarHBondContact O-CG2 3.41Å; E661-V665 PolarHBondContact O-N 3.24Å
662L95.4Very high94.2Very high34 Ų3455.7 Ų55.718%0.17829%0.288CS..Hα-helixtrans-57.2-45.9173.2-177.973.4000111.3T422 E425 I426 M429 C658 N659 E660 N666T422-L662 HydrophobicContact CG2-CB 4.42Å; T422-L662 HydrophobicContact CG2-CD2 4.23Å; E425-L662 HydrophobicContact CB-CD1 4.42Å; E425-L662 HydrophobicContact CG-CD1 4.04Å; I426-L662 HydrophobicContact CD1-CB 4.05Å; I426-L662 HydrophobicContact CD1-CD1 4.45Å; I426-L662 HydrophobicContact CG1-CB 3.99Å; I426-L662 HydrophobicContact CG1-CD1 3.54Å; I426-L662 HydrophobicContact CG1-CG 4.4Å; M429-L662 HydrophobicContact CE-CD1 3.32Å; M429-L662 HydrophobicContact CE-CG 4.24Å; C658-L662 VanDerWaalsContact O-CB 3.27Å; C658-L662 WeakPolarHBondContact O-CB 3.35Å; C658-L662 PolarHBondContact O-N 3.27Å; N659-L662 WeakPolarHBondContact O-CB 3.47Å; N659-L662 PolarHBondContact O-N 3.12Å; E660-L662 VanDerWaalsContact C-N 3.34Å; L662-N666 VanDerWaalsContact O-CB 3.3Å; L662-N666 WeakPolarHBondContact O-CB 3.43Å; L662-N666 PolarHBondContact O-N 3.45Å
663Q95.5Very high93.9Very high103 Ų10355.4 Ų55.448%0.48129%0.286SS..Hα-helixtrans-66.1-44.4178.3-171.162.538.500111.8N659 E660 E661 V665 N666 D667N659-Q663 WeakPolarHBondContact O-CB 3.3Å; N659-Q663 PolarHBondContact O-N 3.36Å; E660-Q663 PolarHBondContact O-N 3.28Å; E661-Q663 VanDerWaalsContact C-N 3.31Å; E661-Q663 PolarHBondContact O-N 3.08Å; Q663-V665 VanDerWaalsContact C-N 3.33Å; Q663-V665 PolarHBondContact O-N 2.72Å; Q663-N666 WeakPolarHBondContact O-CB 3.41Å; Q663-N666 PolarHBondContact O-N 3.43Å; Q663-D667 PolarHBondContact NE2-OD1 3.35Å; Q663-D667 WeakPolarHBondContact O-CB 3.33Å; Q663-D667 PolarHBondContact O-N 3.46Å
664L95.4Very high93.7Very high89 Ų8956.8 Ų56.847%0.46630%0.296SS..Hα-helixtrans-60.9-42.3178.2-73.8173.3000112.1F460 E660 E661 F668F460-L664 HydrophobicContact CE1-CB 4.4Å; E660-L664 VanDerWaalsContact O-CG 3.31Å; E660-L664 WeakPolarHBondContact O-CG 3.26Å; E660-L664 PolarHBondContact O-N 3.35Å; E661-L664 PolarHBondContact O-N 2.95Å; L664-F668 VanDerWaalsContact O-CB 3.26Å; L664-F668 WeakPolarHBondContact O-CB 3.42Å; L664-F668 PolarHBondContact O-N 2.67Å
665V95.6Very high93.5Very high0 Ų057.9 Ų57.90%030%0.302CS..Hα-helixtrans-68.2-39.8176.4170.20000110.9I426 M429 L430 F460 E661 Q663 F668 C669I426-V665 HydrophobicContact CG2-CB 4.16Å; I426-V665 HydrophobicContact CG2-CG1 4.17Å; I426-V665 HydrophobicContact CG2-CG2 3.77Å; M429-V665 HydrophobicContact CB-CG1 4.14Å; M429-V665 HydrophobicContact CE-CB 4.31Å; M429-V665 HydrophobicContact CE-CG1 3.93Å; L430-V665 HydrophobicContact CD2-CG1 3.6Å; L430-V665 HydrophobicContact CD2-CG2 4.23Å; L430-V665 HydrophobicContact CG-CG1 3.77Å; F460-V665 HydrophobicContact CB-CG2 4.25Å; F460-V665 HydrophobicContact CD1-CG2 3.54Å; F460-V665 HydrophobicContact CE1-CG2 3.92Å; F460-V665 HydrophobicContact CG-CG2 3.88Å; E661-V665 WeakPolarHBondContact O-CB 3.48Å; E661-V665 WeakPolarHBondContact O-CG2 3.41Å; E661-V665 PolarHBondContact O-N 3.24Å; Q663-V665 VanDerWaalsContact C-N 3.33Å; Q663-V665 PolarHBondContact O-N 2.72Å; V665-F668 PolarHBondContact O-N 2.84Å; V665-C669 WeakPolarHBondContact O-CB 3.38Å; V665-C669 PolarHBondContact O-N 2.95Å; V665-C669 PolarHBondContact O-SG 3.33Å
666N95.4Very high93.1Very high56 Ų5655.3 Ų55.330%0.29929%0.29SS..Hα-helixtrans-60.8-47.8175-179.470.7000111.6M429 L662 Q663 F668 C669 L670M429-N666 HydrophobicContact CE-CB 4.44Å; M429-N666 HydrophobicContact SD-CB 4.34Å; L662-N666 VanDerWaalsContact O-CB 3.3Å; L662-N666 WeakPolarHBondContact O-CB 3.43Å; L662-N666 PolarHBondContact O-N 3.45Å; Q663-N666 WeakPolarHBondContact O-CB 3.41Å; Q663-N666 PolarHBondContact O-N 3.43Å; N666-F668 VanDerWaalsContact C-N 3.33Å; N666-F668 PolarHBondContact O-N 2.8Å; N666-C669 PolarHBondContact O-N 3.38Å; N666-L670 WeakPolarHBondContact O-CG 3.11Å; N666-L670 PolarHBondContact O-N 3.23Å
667D95.1Very high92.7Very high76 Ų7655.2 Ų55.241%0.40629%0.294SS..Hα-helixtrans-63.7-39.2177.9-64.9-13.7000111.5Q663 L670 A671Q663-D667 PolarHBondContact NE2-OD1 3.35Å; Q663-D667 WeakPolarHBondContact O-CB 3.33Å; Q663-D667 PolarHBondContact O-N 3.46Å; D667-L670 PolarHBondContact O-N 3.45Å; D667-A671 WeakPolarHBondContact O-CB 3.35Å; D667-A671 PolarHBondContact O-N 3.19Å
668F94.4Very high92.3Very high39 Ų3957.8 Ų57.817%0.17131%0.305CS..Hα-helixtrans-60.7-49.3173.1169.5-98.1000111.8E433 L456 N457 F460 L664 V665 N666 L670 A671 R672E433-F668 HydrophobicContact CG-CE1 4.39Å; L456-F668 HydrophobicContact CB-CE2 4.23Å; L456-F668 HydrophobicContact CB-CZ 3.92Å; L456-F668 HydrophobicContact CD1-CE2 4.24Å; L456-F668 HydrophobicContact CD1-CZ 4.26Å; N457-F668 WeakPolarHBondContact OD1-CE1 3.37Å; F460-F668 HydrophobicContact CE2-CB 4.14Å; F460-F668 AromaticContact CE2-CD1 3.91Å; F460-F668 HydrophobicContact CE2-CD1 3.91Å; F460-F668 AromaticContact CE2-CD2 3.89Å; F460-F668 HydrophobicContact CE2-CD2 3.89Å; F460-F668 HydrophobicContact CE2-CE1 4.29Å; F460-F668 HydrophobicContact CE2-CE2 4.27Å; F460-F668 AromaticContact CE2-CG 3.69Å; F460-F668 HydrophobicContact CE2-CG 3.69Å; F460-F668 HydrophobicContact CE2-CZ 4.45Å; F460-F668 HydrophobicContact CZ-CB 4.03Å; F460-F668 HydrophobicContact CZ-CD2 4.34Å; F460-F668 HydrophobicContact CZ-CG 4.08Å; L664-F668 VanDerWaalsContact O-CB 3.26Å; L664-F668 WeakPolarHBondContact O-CB 3.42Å; L664-F668 PolarHBondContact O-N 2.67Å; V665-F668 PolarHBondContact O-N 2.84Å; N666-F668 VanDerWaalsContact C-N 3.33Å; N666-F668 PolarHBondContact O-N 2.8Å; F668-L670 VanDerWaalsContact C-N 3.28Å; F668-L670 PolarHBondContact O-N 2.9Å; F668-A671 PolarHBondContact O-N 2.81Å; F668-R672 HydrophobicContact CD1-CG 4.29Å; F668-R672 HydrophobicContact CD2-CG 4.21Å; F668-R672 HydrophobicContact CE1-CG 3.85Å; F668-R672 HydrophobicContact CE2-CG 3.78Å; F668-R672 HydrophobicContact CG-CG 4.46Å; F668-R672 HydrophobicContact CZ-CG 3.58Å; F668-R672 WeakPolarHBondContact O-CB 3.32Å; F668-R672 VanDerWaalsContact O-CG 3.28Å; F668-R672 WeakPolarHBondContact O-CG 3.43Å; F668-R672 PolarHBondContact O-N 2.98Å
669C93.1Very high91.9Very high18 Ų1859.2 Ų59.212%0.12231%0.313CS..Hα-helixtrans-61.4-36.8178.6-71.50000112.1V665 N666 S673V665-C669 WeakPolarHBondContact O-CB 3.38Å; V665-C669 PolarHBondContact O-N 2.95Å; V665-C669 PolarHBondContact O-SG 3.33Å; N666-C669 PolarHBondContact O-N 3.38Å; C669-S673 WeakPolarHBondContact O-CB 3.4Å; C669-S673 PolarHBondContact O-N 3.29Å; C669-S673 PolarHBondContact O-OG 2.87Å
670L93.6Very high91.3Very high92 Ų9257.7 Ų57.748%0.48230%0.304SS..Hα-helixtrans-65.5-49.6174.1-71.3173000111.4N666 D667 F668 R672 S673 D674N666-L670 WeakPolarHBondContact O-CG 3.11Å; N666-L670 PolarHBondContact O-N 3.23Å; D667-L670 PolarHBondContact O-N 3.45Å; F668-L670 VanDerWaalsContact C-N 3.28Å; F668-L670 PolarHBondContact O-N 2.9Å; L670-R672 VanDerWaalsContact C-N 3.26Å; L670-R672 PolarHBondContact O-N 3.18Å; L670-S673 WeakPolarHBondContact O-CB 3.38Å; L670-S673 PolarHBondContact O-N 3.37Å; L670-D674 PolarHBondContact O-N 3.47Å
671A92Very high90.6Very high58 Ų5854.6 Ų54.648%0.47930%0.296SS..Hα-helixtrans-59.3-38.1177.400000112.2D667 F668 D674 E675D667-A671 WeakPolarHBondContact O-CB 3.35Å; D667-A671 PolarHBondContact O-N 3.19Å; F668-A671 PolarHBondContact O-N 2.81Å; A671-D674 PolarHBondContact O-N 3.34Å; A671-E675 WeakPolarHBondContact O-CB 3.17Å; A671-E675 PolarHBondContact O-N 3.46Å
672R91.2Very high89.9Confident10 Ų1058.5 Ų58.54%0.03831%0.314CS..Hα-helixtrans-66.8-36.2175.4-71.4-66.8-69176-14.2112.9E433 D437 R450 E451 S453 F668 L670 E675 I676E433-R672 HydrophobicContact CG-CB 4.36Å; E433-R672 WeakPolarHBondContact OE1-CB 3.39Å; E433-R672 IonicContact OE1-NE 3.02Å; E433-R672 PolarHBondContact OE1-NE 3.26Å; D437-R672 IonicContact OD1-NH2 3.87Å; D437-R672 PolarHBondContact OD1-NH2 3Å; D437-R672 VanDerWaalsContact OD1-NH2 3.13Å; R450-R672 VanDerWaalsContact CZ-NH1 3.28Å; R450-R672 VanDerWaalsContact NH2-NE 3.16Å; R450-R672 PolarHBondContact NH2-O 2.95Å; E451-R672 PolarHBondContact O-NH2 3.27Å; S453-R672 PolarHBondContact OG-NE 3.48Å; S453-R672 PolarHBondContact OG-NH2 2.9Å; F668-R672 HydrophobicContact CD1-CG 4.29Å; F668-R672 HydrophobicContact CD2-CG 4.21Å; F668-R672 HydrophobicContact CE1-CG 3.85Å; F668-R672 HydrophobicContact CE2-CG 3.78Å; F668-R672 HydrophobicContact CG-CG 4.46Å; F668-R672 HydrophobicContact CZ-CG 3.58Å; F668-R672 WeakPolarHBondContact O-CB 3.32Å; F668-R672 VanDerWaalsContact O-CG 3.28Å; F668-R672 WeakPolarHBondContact O-CG 3.43Å; F668-R672 PolarHBondContact O-N 2.98Å; L670-R672 VanDerWaalsContact C-N 3.26Å; L670-R672 PolarHBondContact O-N 3.18Å; R672-E675 IonicContact CZ-OE2 3.18Å; R672-E675 IonicContact NE-OE2 2.73Å; R672-E675 IonicContact NH1-OE1 2.68Å; R672-E675 PolarHBondContact NH1-OE1 3.46Å; R672-E675 IonicContact NH1-OE2 3.91Å; R672-E675 PolarHBondContact NH1-OE2 2.88Å; R672-I676 WeakPolarHBondContact O-CG1 3.3Å; R672-I676 PolarHBondContact O-N 3.29Å
673S89.1Confident88.8Confident44 Ų4458.4 Ų58.431%0.30831%0.314SS..Hα-helixtrans-68.9-41.8175.4-59.90000111.2C669 L670 I676 N677C669-S673 WeakPolarHBondContact O-CB 3.4Å; C669-S673 PolarHBondContact O-N 3.29Å; C669-S673 PolarHBondContact O-OG 2.87Å; L670-S673 WeakPolarHBondContact O-CB 3.38Å; L670-S673 PolarHBondContact O-N 3.37Å; S673-I676 PolarHBondContact O-N 3.32Å; S673-N677 PolarHBondContact O-N 3.5Å; S673-N677 VanDerWaalsContact O-N 3.16Å; S673-N677 PolarHBondContact O-ND2 3.35Å
674D89.7Confident87.7Confident104 Ų10459.7 Ų59.756%0.55632%0.32SS*.Hα-helixtrans-65.6-40.1176.4-72.3-19.2000112.2L670 A671 I676 N677 Q678L670-D674 PolarHBondContact O-N 3.47Å; A671-D674 PolarHBondContact O-N 3.34Å; D674-I676 VanDerWaalsContact C-N 3.33Å; D674-I676 PolarHBondContact O-N 3.36Å; D674-N677 PolarHBondContact O-N 3.28Å; D674-Q678 WeakPolarHBondContact O-CB 3.33Å; D674-Q678 PolarHBondContact O-N 2.85Å
675E88.5Confident86.2Confident59 Ų5961.2 Ų61.228%0.27633%0.325SS..Hα-helixtrans-58.8-43.4174.2-173.1-159.415000111.4R450 A671 R672 N677 Q678 L679R450-E675 IonicContact CZ-OE1 3.72Å; R450-E675 IonicContact CZ-OE2 2.71Å; R450-E675 IonicContact NE-OE1 3.93Å; R450-E675 PolarHBondContact NE-OE1 2.99Å; R450-E675 IonicContact NE-OE2 3.33Å; R450-E675 IonicContact NH2-OE1 2.73Å; R450-E675 IonicContact NH2-OE2 3.41Å; R450-E675 PolarHBondContact NH2-OE2 3.49Å; A671-E675 WeakPolarHBondContact O-CB 3.17Å; A671-E675 PolarHBondContact O-N 3.46Å; R672-E675 IonicContact CZ-OE2 3.18Å; R672-E675 IonicContact NE-OE2 2.73Å; R672-E675 IonicContact NH1-OE1 2.68Å; R672-E675 PolarHBondContact NH1-OE1 3.46Å; R672-E675 IonicContact NH1-OE2 3.91Å; R672-E675 PolarHBondContact NH1-OE2 2.88Å; E675-N677 VanDerWaalsContact C-N 3.35Å; E675-N677 PolarHBondContact O-N 2.81Å; E675-Q678 PolarHBondContact O-N 3.33Å; E675-L679 HydrophobicContact CG-CD1 4.17Å; E675-L679 WeakPolarHBondContact O-CB 3.45Å; E675-L679 VanDerWaalsContact O-CG 3.29Å; E675-L679 WeakPolarHBondContact O-CG 3.24Å; E675-L679 PolarHBondContact O-N 3.41Å
676I85.8Confident84.2Confident22 Ų2269.8 Ų69.811%0.11336%0.357CS..Hα-helixtrans-59-48.6175.1-71.5171.6000110.2F440 R672 S673 D674 Q678 L679 I680F440-I676 HydrophobicContact CB-CD1 4.34Å; F440-I676 HydrophobicContact CD1-CG1 4.47Å; F440-I676 HydrophobicContact CD2-CG1 4.42Å; F440-I676 HydrophobicContact CD2-CG2 3.7Å; F440-I676 HydrophobicContact CE2-CG2 3.87Å; F440-I676 HydrophobicContact CG-CD1 4.42Å; F440-I676 HydrophobicContact CG-CG1 4.28Å; F440-I676 HydrophobicContact CG-CG2 4.35Å; R672-I676 WeakPolarHBondContact O-CG1 3.3Å; R672-I676 PolarHBondContact O-N 3.29Å; S673-I676 PolarHBondContact O-N 3.32Å; D674-I676 VanDerWaalsContact C-N 3.33Å; D674-I676 PolarHBondContact O-N 3.36Å; I676-Q678 VanDerWaalsContact C-N 3.29Å; I676-Q678 PolarHBondContact O-N 2.87Å; I676-L679 PolarHBondContact O-N 3.27Å; I676-I680 HydrophobicContact CG2-CD1 3.67Å; I676-I680 HydrophobicContact CG2-CG1 4.4Å; I676-I680 VanDerWaalsContact O-CG1 3.27Å; I676-I680 WeakPolarHBondContact O-CG1 3.46Å; I676-I680 PolarHBondContact O-N 3.45Å
677N85.9Confident82.4Confident99 Ų9970.1 Ų70.153%0.52936%0.361SS..Hα-helixtrans-61.2-40.2-179.8-67.6-33.1000111.6S673 D674 E675 S681S673-N677 PolarHBondContact O-N 3.5Å; S673-N677 VanDerWaalsContact O-N 3.16Å; S673-N677 PolarHBondContact O-ND2 3.35Å; D674-N677 PolarHBondContact O-N 3.28Å; E675-N677 VanDerWaalsContact C-N 3.35Å; E675-N677 PolarHBondContact O-N 2.81Å; N677-S681 WeakPolarHBondContact O-CB 3.34Å; N677-S681 PolarHBondContact O-N 3.46Å
678Q85.2Confident80.6Confident113 Ų11369.1 Ų69.153%0.52836%0.36SS..Hα-helixtrans-66.3-47177.3-174.1177-6.800111.7D674 E675 I676 I680 S681 E682D674-Q678 WeakPolarHBondContact O-CB 3.33Å; D674-Q678 PolarHBondContact O-N 2.85Å; E675-Q678 PolarHBondContact O-N 3.33Å; I676-Q678 VanDerWaalsContact C-N 3.29Å; I676-Q678 PolarHBondContact O-N 2.87Å; Q678-I680 VanDerWaalsContact C-N 3.3Å; Q678-I680 PolarHBondContact O-N 3.16Å; Q678-S681 PolarHBondContact O-N 2.88Å; Q678-E682 HydrophobicContact CG-CG 4.35Å; Q678-E682 WeakPolarHBondContact CG-OE1 3.29Å; Q678-E682 PolarHBondContact NE2-OE1 3.31Å; Q678-E682 WeakPolarHBondContact O-CB 3.33Å; Q678-E682 WeakPolarHBondContact O-CG 3.38Å; Q678-E682 PolarHBondContact O-N 3.03Å
679L85Confident78.7Confident30 Ų3071.8 Ų71.816%0.15738%0.379CS..Hα-helixtrans-62.1-37.3178.2-71.1172.9000112.1F440 L448 R450 E675 I676 N683F440-L679 HydrophobicContact CZ-CB 4.44Å; F440-L679 HydrophobicContact CZ-CD1 4.47Å; L448-L679 HydrophobicContact CD1-CB 4.15Å; L448-L679 HydrophobicContact CD2-CB 4.33Å; L448-L679 HydrophobicContact CD2-CD2 4.28Å; R450-L679 HydrophobicContact CB-CD1 4.36Å; E675-L679 HydrophobicContact CG-CD1 4.17Å; E675-L679 WeakPolarHBondContact O-CB 3.45Å; E675-L679 VanDerWaalsContact O-CG 3.29Å; E675-L679 WeakPolarHBondContact O-CG 3.24Å; E675-L679 PolarHBondContact O-N 3.41Å; I676-L679 PolarHBondContact O-N 3.27Å; L679-N683 VanDerWaalsContact O-CB 3.28Å; L679-N683 WeakPolarHBondContact O-CB 3.48Å; L679-N683 PolarHBondContact O-N 3.16Å
680I82.3Confident76.7Confident39 Ų3973.7 Ų73.720%0.239%0.39CS..Hα-helixtrans-65.3-49.9174.1-68.1169.6000110.2F440 I676 Q678 E682 N683 E684F440-I680 HydrophobicContact CD2-CD1 4.44Å; F440-I680 HydrophobicContact CE2-CD1 4.05Å; F440-I680 HydrophobicContact CE2-CG1 3.82Å; I676-I680 HydrophobicContact CG2-CD1 3.67Å; I676-I680 HydrophobicContact CG2-CG1 4.4Å; I676-I680 VanDerWaalsContact O-CG1 3.27Å; I676-I680 WeakPolarHBondContact O-CG1 3.46Å; I676-I680 PolarHBondContact O-N 3.45Å; Q678-I680 VanDerWaalsContact C-N 3.3Å; Q678-I680 PolarHBondContact O-N 3.16Å; I680-E682 PolarHBondContact O-N 3.46Å; I680-N683 PolarHBondContact O-N 3.07Å; I680-E684 HydrophobicContact CG2-CG 4.33Å; I680-E684 WeakPolarHBondContact O-CB 3.25Å; I680-E684 WeakPolarHBondContact O-CG 3.41Å; I680-E684 PolarHBondContact O-N 2.88Å
681S81.2Confident74.7Confident58 Ų5875.4 Ų75.441%0.40640%0.396SS..Hα-helixtrans-58.2-46.5178.41750000112.4N677 Q678 N683 E684 Q685N677-S681 WeakPolarHBondContact O-CB 3.34Å; N677-S681 PolarHBondContact O-N 3.46Å; Q678-S681 PolarHBondContact O-N 2.88Å; S681-N683 VanDerWaalsContact C-N 3.35Å; S681-N683 PolarHBondContact O-N 2.75Å; S681-E684 PolarHBondContact O-N 3.11Å; S681-Q685 WeakPolarHBondContact O-CB 3.49Å; S681-Q685 WeakPolarHBondContact O-CG 3.48Å; S681-Q685 PolarHBondContact O-N 3.15Å
682E78.1Confident72.7Confident86 Ų8678 Ų7840%0.40240%0.401SS..Hα-helixtrans-63.2-40.6177.5-74.2176.7-173.100111.5Q678 I680 Q685 W686Q678-E682 HydrophobicContact CG-CG 4.35Å; Q678-E682 WeakPolarHBondContact CG-OE1 3.29Å; Q678-E682 PolarHBondContact NE2-OE1 3.31Å; Q678-E682 WeakPolarHBondContact O-CB 3.33Å; Q678-E682 WeakPolarHBondContact O-CG 3.38Å; Q678-E682 PolarHBondContact O-N 3.03Å; I680-E682 PolarHBondContact O-N 3.46Å; E682-Q685 PolarHBondContact O-N 3.04Å; E682-W686 VanDerWaalsContact O-CD1 3.3Å; E682-W686 PolarHBondContact O-N 2.72Å
683N73.6Confident70.5Confident32 Ų3281.4 Ų81.417%0.17143%0.427CS..Hα-helixtrans-69.7-41.1176.9-172.959.4000112.6I447 L448 L679 I680 S681 Q685 W686 V687I447-N683 VanDerWaalsContact CG2-OD1 3.27Å; I447-N683 WeakPolarHBondContact CG2-OD1 3.43Å; L448-N683 HydrophobicContact CD1-CB 4.19Å; L448-N683 HydrophobicContact CD2-CB 4.27Å; L679-N683 VanDerWaalsContact O-CB 3.28Å; L679-N683 WeakPolarHBondContact O-CB 3.48Å; L679-N683 PolarHBondContact O-N 3.16Å; I680-N683 PolarHBondContact O-N 3.07Å; S681-N683 VanDerWaalsContact C-N 3.35Å; S681-N683 PolarHBondContact O-N 2.75Å; N683-Q685 VanDerWaalsContact C-N 3.29Å; N683-Q685 PolarHBondContact O-N 3.39Å; N683-W686 PolarHBondContact O-N 2.76Å; N683-V687 WeakPolarHBondContact O-CG2 3.11Å; N683-V687 PolarHBondContact O-N 3.45Å
684E72.2Confident68.5Low130 Ų13084.4 Ų84.461%0.60744%0.443SS*.Hα-helixtrans-61-40.5173.3-74.6-178.7169.300111.2I680 S681 V687 S688I680-E684 HydrophobicContact CG2-CG 4.33Å; I680-E684 WeakPolarHBondContact O-CB 3.25Å; I680-E684 WeakPolarHBondContact O-CG 3.41Å; I680-E684 PolarHBondContact O-N 2.88Å; S681-E684 PolarHBondContact O-N 3.11Å; E684-V687 PolarHBondContact O-N 3.13Å; E684-S688 WeakPolarHBondContact O-CB 3.29Å; E684-S688 PolarHBondContact O-N 2.92Å; E684-S688 PolarHBondContact O-OG 3.13Å
685Q63.6Low66.6Low121 Ų12183.4 Ų83.457%0.56544%0.444SS*.Hα-helixtrans-62-45.3170.9-77.6-176.3-0.700111.7S681 E682 N683 V687 S688 V689S681-Q685 WeakPolarHBondContact O-CB 3.49Å; S681-Q685 WeakPolarHBondContact O-CG 3.48Å; S681-Q685 PolarHBondContact O-N 3.15Å; E682-Q685 PolarHBondContact O-N 3.04Å; N683-Q685 VanDerWaalsContact C-N 3.29Å; N683-Q685 PolarHBondContact O-N 3.39Å; Q685-V687 PolarHBondContact O-N 3.29Å; Q685-S688 WeakPolarHBondContact CA-OG 3.4Å; Q685-S688 PolarHBondContact O-N 3.47Å; Q685-S688 PolarHBondContact O-OG 3.08Å; Q685-V689 VanDerWaalsContact O-CG2 3.31Å; Q685-V689 WeakPolarHBondContact O-CG2 3.08Å; Q685-V689 PolarHBondContact O-N 2.71Å
686W53Low64.2Low180 Ų18089.2 Ų89.268%0.68247%0.468SS*.Hα-helixtrans-61.2-42.5175.6-96.295.2000113.1E682 N683 S688 V689 T690E682-W686 VanDerWaalsContact O-CD1 3.3Å; E682-W686 PolarHBondContact O-N 2.72Å; N683-W686 PolarHBondContact O-N 2.76Å; W686-S688 VanDerWaalsContact C-N 3.32Å; W686-V689 PolarHBondContact O-N 3.14Å; W686-T690 HydrophobicContact CE3-CG2 4.2Å; W686-T690 WeakPolarHBondContact O-CB 3.49Å; W686-T690 WeakPolarHBondContact O-CG2 3.49Å; W686-T690 PolarHBondContact O-N 3.12Å; W686-T690 PolarHBondContact O-OG1 3.24Å
687V59Low62Low62 Ų6298.9 Ų98.938%0.37652%0.521SS..Hα-helixtrans-64.6-39.1175.6173.50000110.3N683 E684 Q685 T690 H691N683-V687 WeakPolarHBondContact O-CG2 3.11Å; N683-V687 PolarHBondContact O-N 3.45Å; E684-V687 PolarHBondContact O-N 3.13Å; Q685-V687 PolarHBondContact O-N 3.29Å; V687-T690 WeakPolarHBondContact CA-OG1 3.37Å; V687-T690 PolarHBondContact O-OG1 3.39Å; V687-T690 VanDerWaalsContact O-OG1 3.1Å; V687-H691 VanDerWaalsContact O-CB 3.28Å; V687-H691 WeakPolarHBondContact O-CB 3.43Å; V687-H691 PolarHBondContact O-N 3.21Å
688S56Low60.8Low56 Ų5698.9 Ų98.939%0.39252%0.52SS..Hα-helixtrans-66.1-44.2175.174.30000112.6E684 Q685 W686 T690 H691 D692E684-S688 WeakPolarHBondContact O-CB 3.29Å; E684-S688 PolarHBondContact O-N 2.92Å; E684-S688 PolarHBondContact O-OG 3.13Å; Q685-S688 WeakPolarHBondContact CA-OG 3.4Å; Q685-S688 PolarHBondContact O-N 3.47Å; Q685-S688 PolarHBondContact O-OG 3.08Å; W686-S688 VanDerWaalsContact C-N 3.32Å; S688-T690 PolarHBondContact O-N 3.26Å; S688-H691 PolarHBondContact O-N 3.19Å; S688-D692 WeakPolarHBondContact O-CB 3.47Å; S688-D692 PolarHBondContact O-N 3.44Å
689V54.4Low59.5Low94 Ų9498.2 Ų98.257%0.5752%0.52SS*.Hα-helixtrans-66-38.1177.5173.90000111.3Q685 W686 S693Q685-V689 VanDerWaalsContact O-CG2 3.31Å; Q685-V689 WeakPolarHBondContact O-CG2 3.08Å; Q685-V689 PolarHBondContact O-N 2.71Å; W686-V689 PolarHBondContact O-N 3.14Å; V689-S693 PolarHBondContact O-N 3.33Å; V689-S693 PolarHBondContact O-OG 3.46Å
690T51.1Low58.1Low59 Ų59101.9 Ų101.936%0.36254%0.54SS..Hα-helixtrans-73.1-40176.551.80000111.9W686 V687 S688 D692 S693 V694W686-T690 HydrophobicContact CE3-CG2 4.2Å; W686-T690 WeakPolarHBondContact O-CB 3.49Å; W686-T690 WeakPolarHBondContact O-CG2 3.49Å; W686-T690 PolarHBondContact O-N 3.12Å; W686-T690 PolarHBondContact O-OG1 3.24Å; V687-T690 WeakPolarHBondContact CA-OG1 3.37Å; V687-T690 PolarHBondContact O-OG1 3.39Å; V687-T690 VanDerWaalsContact O-OG1 3.1Å; S688-T690 PolarHBondContact O-N 3.26Å; T690-D692 PolarHBondContact O-N 2.95Å; T690-S693 WeakPolarHBondContact CA-OG 3.39Å; T690-S693 PolarHBondContact O-N 3Å; T690-S693 PolarHBondContact O-OG 2.79Å; T690-V694 VanDerWaalsContact O-CG2 3.3Å; T690-V694 WeakPolarHBondContact O-CG2 3.4Å; T690-V694 PolarHBondContact O-N 2.7Å
691H52.4Low56.7Low128 Ų128105.6 Ų105.659%0.59356%0.56SS**Hα-helixtrans-65.5-36172.4-90.3-40.6000113V687 S688 S693 V694 S695V687-H691 VanDerWaalsContact O-CB 3.28Å; V687-H691 WeakPolarHBondContact O-CB 3.43Å; V687-H691 PolarHBondContact O-N 3.21Å; S688-H691 PolarHBondContact O-N 3.19Å; H691-S693 VanDerWaalsContact C-N 3.29Å; H691-S693 PolarHBondContact O-N 2.95Å; H691-V694 PolarHBondContact O-N 3.33Å; H691-S695 PolarHBondContact O-N 2.85Å; H691-S695 PolarHBondContact O-OG 2.9Å
692D49.1Very low55.1Low111 Ų111108.6 Ų108.659%0.59457%0.57SS**Hα-helixtrans-67.4-31.4173.1-80.5-10.6000111.9S688 T690 S695S688-D692 WeakPolarHBondContact O-CB 3.47Å; S688-D692 PolarHBondContact O-N 3.44Å; T690-D692 PolarHBondContact O-N 2.95Å; D692-S695 PolarHBondContact O-OG 2.87Å
693S45.5Very low53.6Low82 Ų82110.1 Ų110.157%0.57358%0.581SS**Hα-helixtrans-74.8-25.7173.370.60000113.9V689 T690 H691V689-S693 PolarHBondContact O-N 3.33Å; V689-S693 PolarHBondContact O-OG 3.46Å; T690-S693 WeakPolarHBondContact CA-OG 3.39Å; T690-S693 PolarHBondContact O-N 3Å; T690-S693 PolarHBondContact O-OG 2.79Å; H691-S693 VanDerWaalsContact C-N 3.29Å; H691-S693 PolarHBondContact O-N 2.95Å
694V47.9Very low52.2Low108 Ų108115.7 Ų115.766%0.65561%0.61SS**Hα-helixtrans-85.7-14178.9174.90000112.3T690 H691T690-V694 VanDerWaalsContact O-CG2 3.3Å; T690-V694 WeakPolarHBondContact O-CG2 3.4Å; T690-V694 PolarHBondContact O-N 2.7Å; H691-V694 PolarHBondContact O-N 3.33Å
695S48Very low50.6Low83 Ų83114.6 Ų114.658%0.5861%0.61SS**THydrogen-bonded Turntrans-92.714.3179.366.70000115H691 D692H691-S695 PolarHBondContact O-N 2.85Å; H691-S695 PolarHBondContact O-OG 2.9Å; D692-S695 PolarHBondContact O-OG 2.87Å
696K39.7Very low49.5Very low180 Ų180114.1 Ų114.178%0.78361%0.614SS**  trans-122.68.9-175.1-94-171.8179.1176.60118
697D38.5Very low49.2Very low226 Ų226108.1 Ų108.1100%1.20961%0.608SS**  trans-122.80161.5-72.6-32.5000109.3

Retrieved 697 of 697 residues in 1460.1 ms (Link to these results)

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