G4M006_SCHMA Loading...

Synaptobrevin, putative

AlphaFold DB , UniProt , Accession G4M006, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 206 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
1M46Very low59.7Low239 Ų23996.1 Ų96.1100%1.17750%0.5SS*.  01110-66.981.4155.700107.7
2T64.6Low60.5Low138 Ų138102.4 Ų102.485%0.84751%0.512SS*.  trans-98.1104.7179.147.30000109K4T2-K4 PolarHBondContact O-N 3.49Å
3D53.9Low61.3Low140 Ų140102.3 Ų102.375%0.74951%0.514SS*.  trans-56.6122.5174-150.3-33.1000109.7A5D3-A5 PolarHBondContact OD1-N 2.89Å
4K60.6Low61.7Low141 Ų141103.6 Ų103.661%0.61352%0.517SS*.  trans-123.945.4172.3-96.5-160.4179-58.30108.1T2 P6 H197T2-K4 PolarHBondContact O-N 3.49Å; K4-P6 WeakPolarHBondContact O-CD 3.22Å; K4-H197 WeakPolarHBondContact CB-CE1 3.18Å; K4-H197 VanDerWaalsContact CD-NE2 3.25Å; K4-H197 WeakPolarHBondContact CD-NE2 3.23Å; K4-H197 WeakPolarHBondContact CG-CE1 2.96Å; K4-H197 WeakPolarHBondContact CG-NE2 3.32Å; K4-H197 PolarHBondContact NZ-CD2 2.63Å; K4-H197 VanDerWaalsContact NZ-CD2 3.31Å; K4-H197 PolarHBondContact NZ-NE2 3.13Å; K4-H197 PolarHBondContact O-CE1 2.9Å
5A60.6Low62.2Low7 Ų7104.3 Ų104.36%0.05852%0.518CS..  30.569.8122.600000115.5D3 I7 H197 E199 N200D3-A5 PolarHBondContact OD1-N 2.89Å; A5-I7 WeakPolarHBondContact O-CD1 3.16Å; A5-I7 PolarHBondContact O-N 3.19Å; A5-H197 PolarHBondContact O-ND1 3.04Å; A5-H197 VanDerWaalsContact O-ND1 3.13Å; A5-E199 HydrophobicContact CB-CB 3.72Å; A5-E199 HydrophobicContact CB-CG 3.41Å; A5-E199 VanDerWaalsContact CB-CG 3.41Å; A5-E199 WeakPolarHBondContact CB-OE2 3.49Å; A5-N200 VanDerWaalsContact C-OD1 3.27Å
6P61.5Low62.8Low74 Ų74102.6 Ų102.648%0.48152%0.515SS..  trans-57.797.5177-16.321.4000113.8K4 K8 F198 N200K4-P6 WeakPolarHBondContact O-CD 3.22Å; P6-K8 PolarHBondContact O-N 3.36Å; P6-F198 CarbonylContact C-O 3.55Å; P6-N200 WeakPolarHBondContact CA-OD1 3.36Å; P6-N200 HydrophobicContact CB-CB 4.45Å; P6-N200 WeakPolarHBondContact CB-ND2 3.25Å; P6-N200 WeakPolarHBondContact CB-OD1 3.28Å; P6-N200 VanDerWaalsContact CD-CG 3.46Å; P6-N200 VanDerWaalsContact CD-ND2 3.28Å; P6-N200 WeakPolarHBondContact CD-ND2 3.27Å; P6-N200 WeakPolarHBondContact CD-OD1 3.19Å; P6-N200 WeakPolarHBondContact CG-ND2 3.5Å; P6-N200 VanDerWaalsContact O-CA 3.32Å; P6-N200 WeakPolarHBondContact O-CA 3.15Å; P6-N200 WeakPolarHBondContact O-CB 2.85Å; P6-N200 PolarHBondContact O-N 3.43Å; P6-N200 PolarHBondContact O-OD1 3.31Å
7I59.6Low63.1Low40 Ų40103.9 Ų103.921%0.20552%0.519CS..BIsolated β-bridge66.923.3116.232.8-66.4000120.6A5 T9 N10 H197 F198A5-I7 WeakPolarHBondContact O-CD1 3.16Å; A5-I7 PolarHBondContact O-N 3.19Å; I7-T9 HydrophobicContact CG2-CG2 3.43Å; I7-T9 VanDerWaalsContact CG2-CG2 3.43Å; I7-T9 WeakPolarHBondContact CG2-OG1 3.32Å; I7-T9 PolarHBondContact O-N 3.29Å; I7-N10 PolarHBondContact O-N 3.49Å; I7-N10 VanDerWaalsContact O-N 3.11Å; I7-N10 PolarHBondContact O-ND2 2.77Å; I7-H197 VanDerWaalsContact CD1-CA 3.45Å; I7-H197 HydrophobicContact CD1-CB 3.78Å; I7-H197 VanDerWaalsContact CD1-CE1 3.49Å; I7-H197 WeakPolarHBondContact CD1-CE1 3.45Å; I7-H197 WeakPolarHBondContact CD1-ND1 3.48Å; I7-F198 CarbonylContact C-O 3.55Å; I7-F198 WeakPolarHBondContact CA-O 3.36Å; I7-F198 WeakPolarHBondContact CB-O 3.05Å; I7-F198 HydrophobicContact CG2-CB 3.48Å; I7-F198 VanDerWaalsContact CG2-CB 3.48Å; I7-F198 VanDerWaalsContact CG2-O 3.23Å; I7-F198 WeakPolarHBondContact CG2-O 3.16Å; I7-F198 PolarHBondContact N-O 3.05Å
8K58.2Low63.9Low50 Ų50101.6 Ų101.622%0.21752%0.519CS..THydrogen-bonded Turntrans-51.50.5168.7-76.9-153.6-84.5-164.90113.8P6 N10 K11 F198 E199 N200 N201P6-K8 PolarHBondContact O-N 3.36Å; K8-N10 PolarHBondContact O-N 3.36Å; K8-K11 PolarHBondContact O-N 3.26Å; K8-F198 VanDerWaalsContact CA-CD1 3.42Å; K8-F198 HydrophobicContact CB-CD1 3.25Å; K8-F198 HydrophobicContact CB-CE1 3.13Å; K8-F198 HydrophobicContact CB-CZ 4.4Å; K8-F198 HydrophobicContact CG-CE1 4.39Å; K8-F198 PolarHBondContact N-O 3.09Å; K8-F198 VanDerWaalsContact O-CE1 3.24Å; K8-F198 WeakPolarHBondContact O-CE1 3.41Å; K8-E199 WeakPolarHBondContact CE-O 3.21Å; K8-E199 VanDerWaalsContact CG-O 3.3Å; K8-E199 WeakPolarHBondContact CG-O 2.81Å; K8-N200 HydrophobicContact CG-CB 4.28Å; K8-N201 HydrophobicContact CD-CB 4.37Å; K8-N201 VanDerWaalsContact CD-N 3.26Å; K8-N201 VanDerWaalsContact CD-O 3.24Å; K8-N201 WeakPolarHBondContact CD-O 3.4Å; K8-N201 VanDerWaalsContact CE-CA 3.46Å; K8-N201 VanDerWaalsContact CE-O 3.31Å; K8-N201 WeakPolarHBondContact CE-O 3.09Å; K8-N201 PolarHBondContact NZ-ND2 3.35Å; K8-N201 PolarHBondContact NZ-O 3.26Å
9T62.3Low64.3Low40 Ų40102.6 Ų102.625%0.24552%0.521CS..Hα-helixtrans-63.8-24.4170.258.90000110.4I7 K11 R12 L13 F198I7-T9 HydrophobicContact CG2-CG2 3.43Å; I7-T9 VanDerWaalsContact CG2-CG2 3.43Å; I7-T9 WeakPolarHBondContact CG2-OG1 3.32Å; I7-T9 PolarHBondContact O-N 3.29Å; T9-K11 PolarHBondContact O-N 3.5Å; T9-R12 PolarHBondContact O-N 3.07Å; T9-L13 PolarHBondContact O-N 3.13Å; T9-F198 HydrophobicContact CG2-CB 3.3Å; T9-F198 HydrophobicContact CG2-CD1 3.99Å; T9-F198 HydrophobicContact CG2-CD2 4.27Å; T9-F198 HydrophobicContact CG2-CG 3.64Å
10N63.5Low65.1Low89 Ų89101.2 Ų101.248%0.47652%0.517SS..Hα-helixtrans-56.5-38.5178.4-72.1-61.3000111.4I7 K8 R12 Q14I7-N10 PolarHBondContact O-N 3.49Å; I7-N10 VanDerWaalsContact O-N 3.11Å; I7-N10 PolarHBondContact O-ND2 2.77Å; K8-N10 PolarHBondContact O-N 3.36Å; N10-R12 PolarHBondContact O-N 3.47Å; N10-Q14 WeakPolarHBondContact O-CB 3.19Å; N10-Q14 WeakPolarHBondContact O-CG 3.33Å; N10-Q14 PolarHBondContact O-N 3.14Å
11K66.1Low66Low99 Ų99100.8 Ų100.843%0.4352%0.517SS..Hα-helixtrans-64.3-41.2177-65-174.9-177.2176.60111.5K8 T9 Q15 E202K8-K11 PolarHBondContact O-N 3.26Å; T9-K11 PolarHBondContact O-N 3.5Å; K11-Q15 WeakPolarHBondContact O-CB 3.41Å; K11-Q15 WeakPolarHBondContact O-CG 3.47Å; K11-Q15 PolarHBondContact O-N 3.46Å; K11-E202 IonicContact NZ-OE1 3.25Å; K11-E202 PolarHBondContact NZ-OE1 3.47Å
12R69.6Low68Low172 Ų17295.4 Ų95.465%0.64949%0.488SS*.Hα-helixtrans-72.1-44.1179.1-67.6-70.8-173.2177.50.7112.7T9 N10 Q15 T16T9-R12 PolarHBondContact O-N 3.07Å; N10-R12 PolarHBondContact O-N 3.47Å; R12-Q15 WeakPolarHBondContact O-CB 3.45Å; R12-Q15 PolarHBondContact O-N 3.49Å; R12-T16 PolarHBondContact O-N 3.18Å; R12-T16 PolarHBondContact O-OG1 3.23Å
13L71.1Confident68.9Low101 Ų10192.2 Ų92.253%0.52947%0.469SS..Hα-helixtrans-68.5-39.4178.6-68.6175.5000111.6T9 Q15 T16 Q17T9-L13 PolarHBondContact O-N 3.13Å; L13-Q15 VanDerWaalsContact C-N 3.32Å; L13-T16 PolarHBondContact O-N 3.47Å; L13-Q17 WeakPolarHBondContact O-CB 3.36Å; L13-Q17 WeakPolarHBondContact O-CG 3.43Å; L13-Q17 PolarHBondContact O-N 2.85Å
14Q65.9Low70.4Confident120 Ų12088.1 Ų88.156%0.56145%0.449SS*.Hα-helixtrans-64.9-37.4173.3-72.2172.912.300111.4N10 Q17 A18N10-Q14 WeakPolarHBondContact O-CB 3.19Å; N10-Q14 WeakPolarHBondContact O-CG 3.33Å; N10-Q14 PolarHBondContact O-N 3.14Å; Q14-Q17 PolarHBondContact O-N 3.18Å; Q14-A18 VanDerWaalsContact O-CB 3.28Å; Q14-A18 WeakPolarHBondContact O-CB 3.28Å; Q14-A18 PolarHBondContact O-N 3.27Å
15Q69.1Low71.9Confident115 Ų11585.2 Ų85.254%0.53744%0.44SS..Hα-helixtrans-61.6-44.7171.8-79.2172.8-20.600112.1K11 R12 L13 Q19K11-Q15 WeakPolarHBondContact O-CB 3.41Å; K11-Q15 WeakPolarHBondContact O-CG 3.47Å; K11-Q15 PolarHBondContact O-N 3.46Å; R12-Q15 WeakPolarHBondContact O-CB 3.45Å; R12-Q15 PolarHBondContact O-N 3.49Å; L13-Q15 VanDerWaalsContact C-N 3.32Å; Q15-Q19 WeakPolarHBondContact O-CB 3.34Å; Q15-Q19 PolarHBondContact O-N 3.14Å
16T72.5Confident73.3Confident76 Ų7689.7 Ų89.747%0.46646%0.462SS..Hα-helixtrans-66.1-41.7176-56.50000112.1R12 L13 Q19 V20R12-T16 PolarHBondContact O-N 3.18Å; R12-T16 PolarHBondContact O-OG1 3.23Å; L13-T16 PolarHBondContact O-N 3.47Å; T16-Q19 PolarHBondContact O-N 2.87Å; T16-V20 HydrophobicContact CG2-CG1 4.43Å; T16-V20 WeakPolarHBondContact O-CG2 3.44Å; T16-V20 PolarHBondContact O-N 3.43Å
17Q68.4Low74.5Confident126 Ų12691.3 Ų91.359%0.58946%0.464SS*.Hα-helixtrans-63-44.2176.8-77.2-173.64.400111.9L13 Q14 Q19 V20 N21L13-Q17 WeakPolarHBondContact O-CB 3.36Å; L13-Q17 WeakPolarHBondContact O-CG 3.43Å; L13-Q17 PolarHBondContact O-N 2.85Å; Q14-Q17 PolarHBondContact O-N 3.18Å; Q17-Q19 VanDerWaalsContact C-N 3.3Å; Q17-Q19 PolarHBondContact O-N 3.39Å; Q17-V20 VanDerWaalsContact O-CG2 3.32Å; Q17-V20 WeakPolarHBondContact O-CG2 3.49Å; Q17-V20 PolarHBondContact O-N 3.29Å; Q17-N21 WeakPolarHBondContact O-CB 3.35Å; Q17-N21 PolarHBondContact O-N 2.67Å; Q17-N21 PolarHBondContact O-ND2 3.5Å
18A76.1Confident76Confident61 Ų6196.6 Ų96.650%0.50448%0.482SS..Hα-helixtrans-59.6-42.1174.700000111.4Q14 N21 E22Q14-A18 VanDerWaalsContact O-CB 3.28Å; Q14-A18 WeakPolarHBondContact O-CB 3.28Å; Q14-A18 PolarHBondContact O-N 3.27Å; A18-N21 PolarHBondContact O-N 3.29Å; A18-E22 PolarHBondContact O-N 2.84Å; A18-E22 VanDerWaalsContact O-N 3.09Å
19Q72Confident77.5Confident122 Ų12298.9 Ų98.957%0.5750%0.5SS*.Hα-helixtrans-69-43179.8-174.3178.939.700113.6Q15 T16 Q17 N21 E22 V23Q15-Q19 WeakPolarHBondContact O-CB 3.34Å; Q15-Q19 PolarHBondContact O-N 3.14Å; T16-Q19 PolarHBondContact O-N 2.87Å; Q17-Q19 VanDerWaalsContact C-N 3.3Å; Q17-Q19 PolarHBondContact O-N 3.39Å; Q19-N21 VanDerWaalsContact C-N 3.31Å; Q19-E22 WeakPolarHBondContact O-CB 3.44Å; Q19-E22 PolarHBondContact O-N 3.42Å; Q19-V23 PolarHBondContact O-N 3.49Å
20V81.5Confident78.6Confident73 Ų73101 Ų10144%0.44251%0.509SS..Hα-helixtrans-68.8-34.3177-62.20000111.2T16 Q17 E22 V23 V24T16-V20 HydrophobicContact CG2-CG1 4.43Å; T16-V20 WeakPolarHBondContact O-CG2 3.44Å; T16-V20 PolarHBondContact O-N 3.43Å; Q17-V20 VanDerWaalsContact O-CG2 3.32Å; Q17-V20 WeakPolarHBondContact O-CG2 3.49Å; Q17-V20 PolarHBondContact O-N 3.29Å; V20-E22 VanDerWaalsContact C-N 3.3Å; V20-E22 PolarHBondContact O-N 3.46Å; V20-V23 PolarHBondContact O-N 3.09Å; V20-V24 WeakPolarHBondContact O-CB 3.15Å; V20-V24 WeakPolarHBondContact O-CG2 3.21Å; V20-V24 PolarHBondContact O-N 3.48Å
21N84.1Confident79.6Confident94 Ų94100.5 Ų100.550%0.50351%0.509SS..Hα-helixtrans-60.4-43.8173.7-73.3-19.8000110.5Q17 A18 Q19 V24 D25Q17-N21 WeakPolarHBondContact O-CB 3.35Å; Q17-N21 PolarHBondContact O-N 2.67Å; Q17-N21 PolarHBondContact O-ND2 3.5Å; A18-N21 PolarHBondContact O-N 3.29Å; Q19-N21 VanDerWaalsContact C-N 3.31Å; N21-V24 PolarHBondContact O-N 3.13Å; N21-D25 VanDerWaalsContact O-CG 3.27Å; N21-D25 PolarHBondContact O-N 2.94Å
22E86.6Confident80.8Confident125 Ų125100.5 Ų100.558%0.58451%0.514SS*.Hα-helixtrans-60.8-45.9174.6-173.6-178.2-177.400112.5A18 Q19 V20 V24 D25 I26A18-E22 PolarHBondContact O-N 2.84Å; A18-E22 VanDerWaalsContact O-N 3.09Å; Q19-E22 WeakPolarHBondContact O-CB 3.44Å; Q19-E22 PolarHBondContact O-N 3.42Å; V20-E22 VanDerWaalsContact C-N 3.3Å; V20-E22 PolarHBondContact O-N 3.46Å; E22-V24 PolarHBondContact O-N 3.35Å; E22-D25 PolarHBondContact O-N 3.23Å; E22-I26 HydrophobicContact CG-CD1 4.32Å; E22-I26 WeakPolarHBondContact O-CG1 3.27Å; E22-I26 PolarHBondContact O-N 3.29Å
23V83.5Confident81.5Confident72 Ų7297.3 Ų97.344%0.43651%0.505SS..Hα-helixtrans-67.8-35.8177.5176.10000111.9Q19 V20 D25 I26 M27Q19-V23 PolarHBondContact O-N 3.49Å; V20-V23 PolarHBondContact O-N 3.09Å; V23-D25 VanDerWaalsContact C-N 3.26Å; V23-D25 PolarHBondContact O-N 3.03Å; V23-I26 CarbonylContact O-C 2.88Å; V23-I26 PolarHBondContact O-N 2.86Å; V23-M27 HydrophobicContact CG1-CG 4.26Å; V23-M27 WeakPolarHBondContact O-CB 3.39Å; V23-M27 WeakPolarHBondContact O-CG 3.42Å; V23-M27 PolarHBondContact O-N 3.48Å
24V85.2Confident82.3Confident54 Ų5496.1 Ų96.133%0.32750%0.502SS..Hα-helixtrans-62.3-39.4173.1167.50000109.8V20 N21 E22 M27 R28V20-V24 WeakPolarHBondContact O-CB 3.15Å; V20-V24 WeakPolarHBondContact O-CG2 3.21Å; V20-V24 PolarHBondContact O-N 3.48Å; N21-V24 PolarHBondContact O-N 3.13Å; E22-V24 PolarHBondContact O-N 3.35Å; V24-M27 CarbonylContact O-C 3.6Å; V24-M27 PolarHBondContact O-N 3.35Å; V24-R28 HydrophobicContact CG1-CG 4.43Å; V24-R28 WeakPolarHBondContact O-CB 3.35Å; V24-R28 WeakPolarHBondContact O-CG 3.38Å; V24-R28 PolarHBondContact O-N 3.36Å
25D91.6Very high83Confident80 Ų8094.1 Ų94.143%0.42849%0.494SS..Hα-helixtrans-68.1-40.7175.2-68.3-24.4000111.7N21 E22 V23 M27 R28 V29N21-D25 VanDerWaalsContact O-CG 3.27Å; N21-D25 PolarHBondContact O-N 2.94Å; E22-D25 PolarHBondContact O-N 3.23Å; V23-D25 VanDerWaalsContact C-N 3.26Å; V23-D25 PolarHBondContact O-N 3.03Å; D25-M27 VanDerWaalsContact C-N 3.35Å; D25-M27 PolarHBondContact O-N 3.48Å; D25-R28 WeakPolarHBondContact O-CB 3.49Å; D25-R28 PolarHBondContact O-N 3.18Å; D25-R28 IonicContact OD1-CZ 2.77Å; D25-R28 IonicContact OD1-NH1 3.91Å; D25-R28 PolarHBondContact OD1-NH1 3.45Å; D25-V29 WeakPolarHBondContact O-CG2 3.41Å; D25-V29 PolarHBondContact O-N 3.43Å
26I89.9Confident83.6Confident100 Ų10094.3 Ų94.351%0.51350%0.495SS..Hα-helixtrans-62.9-41.2172.1-65.6166.2000111.1E22 V23 V29 N30E22-I26 HydrophobicContact CG-CD1 4.32Å; E22-I26 WeakPolarHBondContact O-CG1 3.27Å; E22-I26 PolarHBondContact O-N 3.29Å; V23-I26 CarbonylContact O-C 2.88Å; V23-I26 PolarHBondContact O-N 2.86Å; I26-V29 PolarHBondContact O-N 2.96Å; I26-N30 WeakPolarHBondContact O-CB 3.24Å; I26-N30 PolarHBondContact O-N 2.98Å
27M86.7Confident83.7Confident109 Ų10996.3 Ų96.354%0.53749%0.494SS..Hα-helixtrans-69.3-35.4176.6-76.9-150.6-61.900111.4V23 V24 D25 N30 V31V23-M27 HydrophobicContact CG1-CG 4.26Å; V23-M27 WeakPolarHBondContact O-CB 3.39Å; V23-M27 WeakPolarHBondContact O-CG 3.42Å; V23-M27 PolarHBondContact O-N 3.48Å; V24-M27 CarbonylContact O-C 3.6Å; V24-M27 PolarHBondContact O-N 3.35Å; D25-M27 VanDerWaalsContact C-N 3.35Å; D25-M27 PolarHBondContact O-N 3.48Å; M27-N30 CarbonylContact O-C 3.59Å; M27-N30 PolarHBondContact O-N 3.45Å; M27-V31 WeakPolarHBondContact O-CA 3.45Å; M27-V31 WeakPolarHBondContact O-CB 3.4Å; M27-V31 WeakPolarHBondContact O-CG2 3.2Å; M27-V31 PolarHBondContact O-N 2.66Å
28R91.4Very high84.2Confident151 Ų15195.2 Ų95.257%0.5749%0.492SS*.Hα-helixtrans-61-53.8171.6-76.8166.6177.5172.5-3.9109.9V24 D25 N30 V31 D32V24-R28 HydrophobicContact CG1-CG 4.43Å; V24-R28 WeakPolarHBondContact O-CB 3.35Å; V24-R28 WeakPolarHBondContact O-CG 3.38Å; V24-R28 PolarHBondContact O-N 3.36Å; D25-R28 WeakPolarHBondContact O-CB 3.49Å; D25-R28 PolarHBondContact O-N 3.18Å; D25-R28 IonicContact OD1-CZ 2.77Å; D25-R28 IonicContact OD1-NH1 3.91Å; D25-R28 PolarHBondContact OD1-NH1 3.45Å; R28-N30 VanDerWaalsContact C-N 3.3Å; R28-N30 PolarHBondContact O-N 3.18Å; R28-V31 CarbonylContact O-C 3.6Å; R28-V31 PolarHBondContact O-N 3.26Å; R28-V31 VanDerWaalsContact O-N 3.11Å; R28-D32 PolarHBondContact O-N 3.47Å
29V89.7Confident84.1Confident98 Ų9898.5 Ų98.559%0.59450%0.495SS*.Hα-helixtrans-60-39.2176.7174.50000111.8D25 I26 D32 K33D25-V29 WeakPolarHBondContact O-CG2 3.41Å; D25-V29 PolarHBondContact O-N 3.43Å; I26-V29 PolarHBondContact O-N 2.96Å; V29-D32 PolarHBondContact O-N 2.86Å; V29-K33 VanDerWaalsContact O-CB 3.32Å; V29-K33 WeakPolarHBondContact O-CB 3.34Å; V29-K33 PolarHBondContact O-N 3.38Å
30N85.3Confident84.1Confident84 Ų8497.1 Ų97.145%0.44949%0.492SS..Hα-helixtrans-73.9-31.6177.4-175.361000112.5I26 M27 R28 K33 V34I26-N30 WeakPolarHBondContact O-CB 3.24Å; I26-N30 PolarHBondContact O-N 2.98Å; M27-N30 CarbonylContact O-C 3.59Å; M27-N30 PolarHBondContact O-N 3.45Å; R28-N30 VanDerWaalsContact C-N 3.3Å; R28-N30 PolarHBondContact O-N 3.18Å; N30-K33 CarbonylContact O-C 3.59Å; N30-K33 PolarHBondContact O-N 2.82Å; N30-V34 WeakPolarHBondContact O-CB 3.29Å; N30-V34 PolarHBondContact O-N 2.91Å
31V86.1Confident83.7Confident78 Ų7898.7 Ų98.747%0.47350%0.497SS..Hα-helixtrans-69.6-40.2172.3165.20000109.4M27 R28 K33 V34 L35M27-V31 WeakPolarHBondContact O-CA 3.45Å; M27-V31 WeakPolarHBondContact O-CB 3.4Å; M27-V31 WeakPolarHBondContact O-CG2 3.2Å; M27-V31 PolarHBondContact O-N 2.66Å; R28-V31 CarbonylContact O-C 3.6Å; R28-V31 PolarHBondContact O-N 3.26Å; R28-V31 VanDerWaalsContact O-N 3.11Å; V31-K33 VanDerWaalsContact C-N 3.31Å; V31-K33 PolarHBondContact O-N 3.37Å; V31-V34 WeakPolarHBondContact O-CG1 3.22Å; V31-V34 PolarHBondContact O-N 2.8Å; V31-L35 WeakPolarHBondContact O-CB 3.38Å; V31-L35 PolarHBondContact O-N 2.79Å
32D89.6Confident82.9Confident99 Ų9997.8 Ų97.853%0.52950%0.498SS..Hα-helixtrans-61.9-43.3172.3-63.2-31.3000110.2R28 V29 L35 E36R28-D32 PolarHBondContact O-N 3.47Å; V29-D32 PolarHBondContact O-N 2.86Å; D32-L35 WeakPolarHBondContact O-CB 3.19Å; D32-L35 PolarHBondContact O-N 3.36Å; D32-E36 PolarHBondContact O-N 3.1Å
33K86.3Confident82.1Confident106 Ų10696.5 Ų96.546%0.46149%0.492SS..Hα-helixtrans-68.4-35.5175.6-163.9177.6-174.3167.80113.2V29 N30 V31 L35 R37V29-K33 VanDerWaalsContact O-CB 3.32Å; V29-K33 WeakPolarHBondContact O-CB 3.34Å; V29-K33 PolarHBondContact O-N 3.38Å; N30-K33 CarbonylContact O-C 3.59Å; N30-K33 PolarHBondContact O-N 2.82Å; V31-K33 VanDerWaalsContact C-N 3.31Å; V31-K33 PolarHBondContact O-N 3.37Å; K33-L35 VanDerWaalsContact C-N 3.28Å; K33-R37 WeakPolarHBondContact O-CB 3.38Å; K33-R37 VanDerWaalsContact O-CG 3.3Å; K33-R37 WeakPolarHBondContact O-CG 3.38Å; K33-R37 PolarHBondContact O-N 3.36Å
34V86.3Confident81.3Confident76 Ų7698.2 Ų98.246%0.46150%0.498SS..Hα-helixtrans-72.8-28.5175.6890000110.2N30 V31 R37 D38N30-V34 WeakPolarHBondContact O-CB 3.29Å; N30-V34 PolarHBondContact O-N 2.91Å; V31-V34 WeakPolarHBondContact O-CG1 3.22Å; V31-V34 PolarHBondContact O-N 2.8Å; V34-R37 CarbonylContact O-C 3.55Å; V34-R37 WeakPolarHBondContact O-CB 3.5Å; V34-R37 PolarHBondContact O-N 3.31Å; V34-D38 VanDerWaalsContact O-CB 3.31Å; V34-D38 WeakPolarHBondContact O-CB 3.39Å; V34-D38 PolarHBondContact O-N 3.48Å
35L80.9Confident80.6Confident77 Ų77100.2 Ų100.240%0.40351%0.507SS..Hα-helixtrans-75.3-34.8173.6-165.3152.3000111.5V31 D32 K33 D38 K39V31-L35 WeakPolarHBondContact O-CB 3.38Å; V31-L35 PolarHBondContact O-N 2.79Å; D32-L35 WeakPolarHBondContact O-CB 3.19Å; D32-L35 PolarHBondContact O-N 3.36Å; K33-L35 VanDerWaalsContact C-N 3.28Å; L35-D38 CarbonylContact O-C 3.47Å; L35-D38 WeakPolarHBondContact O-CB 3.37Å; L35-D38 PolarHBondContact O-N 3.13Å; L35-K39 HydrophobicContact CD2-CD 4.12Å; L35-K39 VanDerWaalsContact CD2-CE 3.46Å; L35-K39 HydrophobicContact CD2-CG 4.44Å; L35-K39 VanDerWaalsContact CD2-NZ 3.34Å; L35-K39 WeakPolarHBondContact O-CG 3.39Å; L35-K39 PolarHBondContact O-N 3.01Å
36E82.3Confident79.8Confident120 Ų12098.5 Ų98.556%0.56151%0.508SS*.Hα-helixtrans-64.6-42.1165.7-76.3-179.6-178.700111.8D32 D38 K39 N40D32-E36 PolarHBondContact O-N 3.1Å; E36-D38 PolarHBondContact O-N 3.08Å; E36-K39 PolarHBondContact O-N 3.1Å; E36-N40 WeakPolarHBondContact O-CB 3.35Å; E36-N40 PolarHBondContact O-N 3.27Å
37R73.9Confident79Confident118 Ų118101.2 Ų101.245%0.44551%0.512SS..Hα-helixtrans-61.8-35.1170.5-72.4-179.6-176.1114.2-11.2111.1K33 V34 N40 L41K33-R37 WeakPolarHBondContact O-CB 3.38Å; K33-R37 VanDerWaalsContact O-CG 3.3Å; K33-R37 WeakPolarHBondContact O-CG 3.38Å; K33-R37 PolarHBondContact O-N 3.36Å; V34-R37 CarbonylContact O-C 3.55Å; V34-R37 WeakPolarHBondContact O-CB 3.5Å; V34-R37 PolarHBondContact O-N 3.31Å; R37-N40 PolarHBondContact O-N 3.32Å; R37-L41 WeakPolarHBondContact O-CB 3.26Å; R37-L41 VanDerWaalsContact O-CD1 3.31Å; R37-L41 WeakPolarHBondContact O-CD1 3.19Å; R37-L41 WeakPolarHBondContact O-CG 3.34Å; R37-L41 PolarHBondContact O-N 2.98Å
38D78.3Confident78.5Confident103 Ų10397.8 Ų97.855%0.55150%0.501SS*.Hα-helixtrans-67.9-39.3176.1-163.763.2000111.2V34 L35 E36 L41 S42V34-D38 VanDerWaalsContact O-CB 3.31Å; V34-D38 WeakPolarHBondContact O-CB 3.39Å; V34-D38 PolarHBondContact O-N 3.48Å; L35-D38 CarbonylContact O-C 3.47Å; L35-D38 WeakPolarHBondContact O-CB 3.37Å; L35-D38 PolarHBondContact O-N 3.13Å; E36-D38 PolarHBondContact O-N 3.08Å; D38-L41 CarbonylContact O-C 3.58Å; D38-L41 WeakPolarHBondContact O-CB 2.94Å; D38-L41 PolarHBondContact O-N 3.41Å; D38-S42 WeakPolarHBondContact O-CB 3.3Å; D38-S42 PolarHBondContact O-N 3.37Å
39K74.2Confident77.9Confident129 Ų12994.8 Ų94.856%0.56150%0.496SS*.Hα-helixtrans-65.3-45170.8-73.5170.6179.6154.30112.2L35 E36 L41 S42 E43L35-K39 HydrophobicContact CD2-CD 4.12Å; L35-K39 VanDerWaalsContact CD2-CE 3.46Å; L35-K39 HydrophobicContact CD2-CG 4.44Å; L35-K39 VanDerWaalsContact CD2-NZ 3.34Å; L35-K39 WeakPolarHBondContact O-CG 3.39Å; L35-K39 PolarHBondContact O-N 3.01Å; E36-K39 PolarHBondContact O-N 3.1Å; K39-L41 VanDerWaalsContact C-N 3.28Å; K39-L41 PolarHBondContact O-N 2.87Å; K39-S42 CarbonylContact O-C 3.49Å; K39-S42 WeakPolarHBondContact O-CB 3.39Å; K39-S42 PolarHBondContact O-N 3.24Å; K39-S42 VanDerWaalsContact O-N 3.11Å; K39-E43 PolarHBondContact O-N 3.22Å
40N72.4Confident77.3Confident93 Ų9393.4 Ų93.450%0.49750%0.495SS..Hα-helixtrans-64.1-36.4174.3-71.7-20.9000110.8E36 R37 S42 E43 L44E36-N40 WeakPolarHBondContact O-CB 3.35Å; E36-N40 PolarHBondContact O-N 3.27Å; R37-N40 PolarHBondContact O-N 3.32Å; N40-S42 VanDerWaalsContact C-N 3.34Å; N40-E43 PolarHBondContact O-N 3.43Å; N40-L44 WeakPolarHBondContact O-CB 3.45Å; N40-L44 WeakPolarHBondContact O-CD1 3.49Å; N40-L44 PolarHBondContact O-N 3.35Å
41L73.5Confident76.6Confident106 Ų10695.5 Ų95.556%0.55551%0.506SS*.Hα-helixtrans-65.1-37.2171.7-78159.7000111R37 D38 K39 L44 D45R37-L41 WeakPolarHBondContact O-CB 3.26Å; R37-L41 VanDerWaalsContact O-CD1 3.31Å; R37-L41 WeakPolarHBondContact O-CD1 3.19Å; R37-L41 WeakPolarHBondContact O-CG 3.34Å; R37-L41 PolarHBondContact O-N 2.98Å; D38-L41 CarbonylContact O-C 3.58Å; D38-L41 WeakPolarHBondContact O-CB 2.94Å; D38-L41 PolarHBondContact O-N 3.41Å; K39-L41 VanDerWaalsContact C-N 3.28Å; K39-L41 PolarHBondContact O-N 2.87Å; L41-L44 CarbonylContact O-C 3.52Å; L41-L44 WeakPolarHBondContact O-CA 3.06Å; L41-L44 WeakPolarHBondContact O-CB 2.94Å; L41-L44 PolarHBondContact O-N 3.03Å; L41-D45 WeakPolarHBondContact O-CB 3.26Å; L41-D45 PolarHBondContact O-N 3.09Å
42S67.7Low76Confident75 Ų7597.1 Ų97.152%0.52451%0.508SS..Hα-helixtrans-71.3-35.6176.3-178.50000112.6D38 K39 N40 D45 G46D38-S42 WeakPolarHBondContact O-CB 3.3Å; D38-S42 PolarHBondContact O-N 3.37Å; K39-S42 CarbonylContact O-C 3.49Å; K39-S42 WeakPolarHBondContact O-CB 3.39Å; K39-S42 PolarHBondContact O-N 3.24Å; K39-S42 VanDerWaalsContact O-N 3.11Å; N40-S42 VanDerWaalsContact C-N 3.34Å; S42-D45 VanDerWaalsContact O-CB 3.3Å; S42-D45 WeakPolarHBondContact O-CB 3.39Å; S42-D45 PolarHBondContact O-N 3Å; S42-D45 VanDerWaalsContact O-N 3.14Å; S42-G46 PolarHBondContact O-N 3.26Å
43E69.8Low75.3Confident99 Ų9995.4 Ų95.446%0.46351%0.508SS..Hα-helixtrans-68.7-39.3169-163.4-166.7158.900110.7K39 N40 D45 G46 R47K39-E43 PolarHBondContact O-N 3.22Å; N40-E43 PolarHBondContact O-N 3.43Å; E43-D45 PolarHBondContact O-N 3.12Å; E43-G46 PolarHBondContact O-N 3.49Å; E43-R47 WeakPolarHBondContact O-CB 3.42Å; E43-R47 WeakPolarHBondContact O-CG 3.47Å; E43-R47 PolarHBondContact O-N 3.16Å; E43-R47 IonicContact OE1-CZ 3.29Å; E43-R47 VanDerWaalsContact OE1-CZ 3.28Å; E43-R47 IonicContact OE1-NE 2.7Å; E43-R47 PolarHBondContact OE1-NE 3.36Å; E43-R47 IonicContact OE1-NH2 3.28Å; E43-R47 PolarHBondContact OE1-NH2 2.76Å
44L66Low74.8Confident108 Ų10892.4 Ų92.457%0.56551%0.507SS*.Hα-helixtrans-62.4-28.2168.4-97.576.2000111.6N40 L41 R47 A48N40-L44 WeakPolarHBondContact O-CB 3.45Å; N40-L44 WeakPolarHBondContact O-CD1 3.49Å; N40-L44 PolarHBondContact O-N 3.35Å; L41-L44 CarbonylContact O-C 3.52Å; L41-L44 WeakPolarHBondContact O-CA 3.06Å; L41-L44 WeakPolarHBondContact O-CB 2.94Å; L41-L44 PolarHBondContact O-N 3.03Å; L44-R47 CarbonylContact O-C 3.35Å; L44-A48 VanDerWaalsContact O-CA 3.24Å; L44-A48 WeakPolarHBondContact O-CA 3.11Å; L44-A48 WeakPolarHBondContact O-CB 3.36Å; L44-A48 PolarHBondContact O-N 3.47Å
45D71.2Confident73.9Confident96 Ų9691.1 Ų91.151%0.51351%0.505SS..Hα-helixtrans-73-45.9177.5-163.949.8000110.3L41 S42 E43 R47 A48 D49L41-D45 WeakPolarHBondContact O-CB 3.26Å; L41-D45 PolarHBondContact O-N 3.09Å; S42-D45 VanDerWaalsContact O-CB 3.3Å; S42-D45 WeakPolarHBondContact O-CB 3.39Å; S42-D45 PolarHBondContact O-N 3Å; S42-D45 VanDerWaalsContact O-N 3.14Å; E43-D45 PolarHBondContact O-N 3.12Å; D45-R47 PolarHBondContact O-N 3.1Å; D45-A48 CarbonylContact O-C 3.58Å; D45-A48 WeakPolarHBondContact O-CA 3.37Å; D45-A48 WeakPolarHBondContact O-CB 3.49Å; D45-A48 PolarHBondContact O-N 3.04Å; D45-D49 PolarHBondContact O-N 3.26Å
46G74.5Confident73.1Confident43 Ų4390.2 Ų90.244%0.44351%0.505SS..Hα-helixtrans-66.6-37.2173.200000113.4S42 E43 A48 D49 A50S42-G46 PolarHBondContact O-N 3.26Å; E43-G46 PolarHBondContact O-N 3.49Å; G46-A48 VanDerWaalsContact C-N 3.32Å; G46-D49 WeakPolarHBondContact O-CB 3.36Å; G46-D49 PolarHBondContact O-N 2.97Å; G46-A50 PolarHBondContact O-N 3.09Å
47R72.3Confident72.4Confident157 Ų15792.2 Ų92.259%0.59251%0.514SS*.Hα-helixtrans-70.2-32.2168.4-69.4-175.5-170.6-167.14.8111.2E43 L44 D45 D49 A50 L51E43-R47 WeakPolarHBondContact O-CB 3.42Å; E43-R47 WeakPolarHBondContact O-CG 3.47Å; E43-R47 PolarHBondContact O-N 3.16Å; E43-R47 IonicContact OE1-CZ 3.29Å; E43-R47 VanDerWaalsContact OE1-CZ 3.28Å; E43-R47 IonicContact OE1-NE 2.7Å; E43-R47 PolarHBondContact OE1-NE 3.36Å; E43-R47 IonicContact OE1-NH2 3.28Å; E43-R47 PolarHBondContact OE1-NH2 2.76Å; L44-R47 CarbonylContact O-C 3.35Å; D45-R47 PolarHBondContact O-N 3.1Å; R47-D49 VanDerWaalsContact C-N 3.31Å; R47-A50 PolarHBondContact O-N 3.45Å; R47-L51 VanDerWaalsContact O-CB 3.3Å; R47-L51 WeakPolarHBondContact O-CB 2.9Å; R47-L51 WeakPolarHBondContact O-CG 3.36Å; R47-L51 PolarHBondContact O-N 3.17Å
48A76.9Confident72Confident38 Ų3893.7 Ų93.731%0.31452%0.524SS..Hα-helixtrans-68.8-32.7174.700000110.3L44 D45 G46 L51 Q52L44-A48 VanDerWaalsContact O-CA 3.24Å; L44-A48 WeakPolarHBondContact O-CA 3.11Å; L44-A48 WeakPolarHBondContact O-CB 3.36Å; L44-A48 PolarHBondContact O-N 3.47Å; D45-A48 CarbonylContact O-C 3.58Å; D45-A48 WeakPolarHBondContact O-CA 3.37Å; D45-A48 WeakPolarHBondContact O-CB 3.49Å; D45-A48 PolarHBondContact O-N 3.04Å; G46-A48 VanDerWaalsContact C-N 3.32Å; A48-L51 CarbonylContact O-C 3.36Å; A48-L51 PolarHBondContact O-N 3.41Å; A48-Q52 VanDerWaalsContact O-CA 3.26Å; A48-Q52 WeakPolarHBondContact O-CA 3.24Å; A48-Q52 WeakPolarHBondContact O-CB 3.4Å; A48-Q52 PolarHBondContact O-N 2.84Å
49D78Confident71.1Confident87 Ų8792.5 Ų92.547%0.46552%0.515SS..Hα-helixtrans-65.1-45.1172.4-78.7-29.7000110.4D45 G46 R47 Q52 A53D45-D49 PolarHBondContact O-N 3.26Å; G46-D49 WeakPolarHBondContact O-CB 3.36Å; G46-D49 PolarHBondContact O-N 2.97Å; R47-D49 VanDerWaalsContact C-N 3.31Å; D49-Q52 CarbonylContact O-C 3.59Å; D49-Q52 WeakPolarHBondContact O-CA 3.3Å; D49-Q52 WeakPolarHBondContact O-CB 3.42Å; D49-Q52 PolarHBondContact O-N 3.43Å; D49-Q52 VanDerWaalsContact O-N 3.1Å; D49-A53 PolarHBondContact O-N 3.48Å
50A77.7Confident70.5Confident69 Ų6990.8 Ų90.857%0.5753%0.525SS*.Hα-helixtrans-64-43.1174.500000111.5G46 R47 Q52 A53 G54G46-A50 PolarHBondContact O-N 3.09Å; R47-A50 PolarHBondContact O-N 3.45Å; A50-Q52 VanDerWaalsContact C-N 3.26Å; A50-Q52 PolarHBondContact O-N 3.03Å; A50-A53 PolarHBondContact O-N 2.59Å; A50-G54 PolarHBondContact O-N 3.39Å; A50-G54 VanDerWaalsContact O-N 3.14Å
51L70.3Confident70Confident128 Ų12889.4 Ų89.467%0.6752%0.522SS*.Hα-helixtrans-67.2-26.8171.4-70171.1000111.9R47 A48 G54 A55R47-L51 VanDerWaalsContact O-CB 3.3Å; R47-L51 WeakPolarHBondContact O-CB 2.9Å; R47-L51 WeakPolarHBondContact O-CG 3.36Å; R47-L51 PolarHBondContact O-N 3.17Å; A48-L51 CarbonylContact O-C 3.36Å; A48-L51 PolarHBondContact O-N 3.41Å; L51-G54 CarbonylContact O-C 3.49Å; L51-A55 WeakPolarHBondContact O-CA 3.31Å; L51-A55 WeakPolarHBondContact O-CB 3.1Å; L51-A55 PolarHBondContact O-N 2.91Å
52Q73.3Confident69.5Low112 Ų11285.6 Ų85.652%0.52351%0.507SS..Hα-helixtrans-80.6-34.4-179.8174.2177.2-5.400109.7A48 D49 A50 A55 S56A48-Q52 VanDerWaalsContact O-CA 3.26Å; A48-Q52 WeakPolarHBondContact O-CA 3.24Å; A48-Q52 WeakPolarHBondContact O-CB 3.4Å; A48-Q52 PolarHBondContact O-N 2.84Å; D49-Q52 CarbonylContact O-C 3.59Å; D49-Q52 WeakPolarHBondContact O-CA 3.3Å; D49-Q52 WeakPolarHBondContact O-CB 3.42Å; D49-Q52 PolarHBondContact O-N 3.43Å; D49-Q52 VanDerWaalsContact O-N 3.1Å; A50-Q52 VanDerWaalsContact C-N 3.26Å; A50-Q52 PolarHBondContact O-N 3.03Å; Q52-A55 CarbonylContact O-C 3.37Å; Q52-A55 PolarHBondContact O-N 2.89Å; Q52-S56 WeakPolarHBondContact O-CA 3.43Å; Q52-S56 WeakPolarHBondContact O-CB 3.2Å; Q52-S56 PolarHBondContact O-N 3.25Å
53A75.7Confident69.4Low63 Ų6384.5 Ų84.552%0.52151%0.507SS..Hα-helixtrans-64.1-47.1168.900000110D49 A50 A55 S56 Q57D49-A53 PolarHBondContact O-N 3.48Å; A50-A53 PolarHBondContact O-N 2.59Å; A53-A55 PolarHBondContact O-N 3.04Å; A53-S56 PolarHBondContact O-N 2.83Å; A53-Q57 PolarHBondContact O-N 3.32Å
54G75.8Confident69.1Low44 Ų4487.2 Ų87.245%0.45452%0.517SS..Hα-helixtrans-62.1-40.5171.700000113A50 L51 F58A50-G54 PolarHBondContact O-N 3.39Å; A50-G54 VanDerWaalsContact O-N 3.14Å; L51-G54 CarbonylContact O-C 3.49Å; G54-F58 PolarHBondContact O-N 3.21Å
55A67.9Low68.7Low49 Ų4986.2 Ų86.241%0.40551%0.512SS..Hα-helixtrans-81-16.3-179.600000112.9L51 Q52 A53 F58 E59L51-A55 WeakPolarHBondContact O-CA 3.31Å; L51-A55 WeakPolarHBondContact O-CB 3.1Å; L51-A55 PolarHBondContact O-N 2.91Å; Q52-A55 CarbonylContact O-C 3.37Å; Q52-A55 PolarHBondContact O-N 2.89Å; A53-A55 PolarHBondContact O-N 3.04Å; A55-F58 CarbonylContact O-C 3.44Å; A55-F58 VanDerWaalsContact O-C 3.28Å; A55-F58 WeakPolarHBondContact O-CA 3.5Å; A55-F58 WeakPolarHBondContact O-CB 3.3Å; A55-F58 PolarHBondContact O-N 3.28Å; A55-F58 VanDerWaalsContact O-N 3.17Å; A55-E59 WeakPolarHBondContact O-CA 3.37Å; A55-E59 VanDerWaalsContact O-CB 3.26Å; A55-E59 WeakPolarHBondContact O-CB 3.47Å; A55-E59 PolarHBondContact O-N 3.4Å
56S63.2Low68.5Low58 Ų5888.4 Ų88.441%0.40652%0.517SS..Hα-helixtrans-73.1-37.8172.5-177.50000109.2Q52 A53 F58 E59 A60Q52-S56 WeakPolarHBondContact O-CA 3.43Å; Q52-S56 WeakPolarHBondContact O-CB 3.2Å; Q52-S56 PolarHBondContact O-N 3.25Å; A53-S56 PolarHBondContact O-N 2.83Å; S56-F58 PolarHBondContact O-N 3.29Å; S56-E59 WeakPolarHBondContact O-CB 3.46Å; S56-E59 PolarHBondContact O-N 3.01Å; S56-A60 PolarHBondContact O-N 3.43Å
57Q67.7Low68.2Low162 Ų16296.2 Ų96.276%0.75753%0.533SS*.Hα-helixtrans-62.7-32.6166.5-61.6-157.785.800111.9A53A53-Q57 PolarHBondContact O-N 3.32Å
58F65.4Low67.9Low148 Ų14895.9 Ų95.965%0.64954%0.536SS*.Hα-helixtrans-76.8-27.9168.2-169.5-100.3000113.4G54 A55 S56 S61 A62G54-F58 PolarHBondContact O-N 3.21Å; A55-F58 CarbonylContact O-C 3.44Å; A55-F58 VanDerWaalsContact O-C 3.28Å; A55-F58 WeakPolarHBondContact O-CA 3.5Å; A55-F58 WeakPolarHBondContact O-CB 3.3Å; A55-F58 PolarHBondContact O-N 3.28Å; A55-F58 VanDerWaalsContact O-N 3.17Å; S56-F58 PolarHBondContact O-N 3.29Å; F58-S61 CarbonylContact O-C 3.49Å; F58-S61 WeakPolarHBondContact O-CA 3.37Å; F58-S61 VanDerWaalsContact O-CB 3.28Å; F58-S61 WeakPolarHBondContact O-CB 3.31Å; F58-S61 PolarHBondContact O-N 2.62Å; F58-A62 HydrophobicContact CD1-CB 4.3Å; F58-A62 HydrophobicContact CE1-CB 4.3Å; F58-A62 PolarHBondContact O-N 2.65Å
59E60.1Low67.6Low78 Ų7898.9 Ų98.936%0.36454%0.542SS..Hα-helixtrans-70.6-37.1-177-174.6178.4-160.800110.5A55 S56 S61 A62 G63 K66A55-E59 WeakPolarHBondContact O-CA 3.37Å; A55-E59 VanDerWaalsContact O-CB 3.26Å; A55-E59 WeakPolarHBondContact O-CB 3.47Å; A55-E59 PolarHBondContact O-N 3.4Å; S56-E59 WeakPolarHBondContact O-CB 3.46Å; S56-E59 PolarHBondContact O-N 3.01Å; E59-S61 PolarHBondContact O-N 3.38Å; E59-S61 VanDerWaalsContact O-N 3.09Å; E59-A62 CarbonylContact O-C 3.58Å; E59-A62 PolarHBondContact O-N 3.5Å; E59-G63 PolarHBondContact O-N 3.14Å; E59-K66 IonicContact OE1-NZ 2.97Å; E59-K66 PolarHBondContact OE1-NZ 3.4Å
60A62.1Low67.2Low93 Ų93104 Ų10477%0.76956%0.555SS**Hα-helixtrans-52.5-31.2167.900000111.6S56S56-A60 PolarHBondContact O-N 3.43Å
61S61.4Low67.1Low64 Ų64109 Ų10945%0.44856%0.559SS.*Hα-helixtrans-88.1-23.6172.5-65.70000114.3F58 E59 K165F58-S61 CarbonylContact O-C 3.49Å; F58-S61 WeakPolarHBondContact O-CA 3.37Å; F58-S61 VanDerWaalsContact O-CB 3.28Å; F58-S61 WeakPolarHBondContact O-CB 3.31Å; F58-S61 PolarHBondContact O-N 2.62Å; E59-S61 PolarHBondContact O-N 3.38Å; E59-S61 VanDerWaalsContact O-N 3.09Å; S61-K165 PolarHBondContact O-NZ 3.11Å
62A63.6Low67.6Low27 Ų27107.5 Ų107.522%0.22355%0.547CS..Hα-helixtrans-103-5.8-173.600000115.8F58 E59 K64 L65F58-A62 HydrophobicContact CD1-CB 4.3Å; F58-A62 HydrophobicContact CE1-CB 4.3Å; F58-A62 PolarHBondContact O-N 2.65Å; E59-A62 CarbonylContact O-C 3.58Å; E59-A62 PolarHBondContact O-N 3.5Å; A62-K64 PolarHBondContact O-N 3.49Å; A62-L65 WeakPolarHBondContact O-CB 3.37Å; A62-L65 WeakPolarHBondContact O-CD1 3.35Å; A62-L65 PolarHBondContact O-N 3.29Å
63G64.9Low68.1Low52 Ų52106.8 Ų106.854%0.53655%0.547SS..THydrogen-bonded Turntrans-54.5-22.8-167.200000117.1E59E59-G63 PolarHBondContact O-N 3.14Å
64K63.7Low68.4Low156 Ų156108.3 Ų108.368%0.67855%0.553SS**THydrogen-bonded Turntrans-80-13.6174-65.9-171.6172.181.60114.1A62A62-K64 PolarHBondContact O-N 3.49Å
65L57.8Low68.8Low86 Ų86113.3 Ų113.345%0.4556%0.562SS.*THydrogen-bonded Turntrans-92.3-24-174.9-7089.2000113.4A62 R67 K68 F69A62-L65 WeakPolarHBondContact O-CB 3.37Å; A62-L65 WeakPolarHBondContact O-CD1 3.35Å; A62-L65 PolarHBondContact O-N 3.29Å; L65-R67 PolarHBondContact O-N 3.39Å; L65-K68 PolarHBondContact O-N 3.46Å; L65-K68 VanDerWaalsContact O-N 3.08Å; L65-F69 HydrophobicContact CB-CD2 4.01Å; L65-F69 HydrophobicContact CB-CE2 4Å; L65-F69 HydrophobicContact CD2-CE2 4.02Å; L65-F69 WeakPolarHBondContact O-CD2 3.32Å; L65-F69 PolarHBondContact O-N 2.8Å; L65-F69 VanDerWaalsContact O-N 3.1Å
66K66.6Low69.7Low142 Ų142116.7 Ų116.762%0.61757%0.571SS**Hα-helixtrans-56.1-48.3-171.2-167.8175.9-172.5169.90113.8E59 K68 F69 W70E59-K66 IonicContact OE1-NZ 2.97Å; E59-K66 PolarHBondContact OE1-NZ 3.4Å; K66-K68 VanDerWaalsContact C-N 3.27Å; K66-K68 PolarHBondContact O-N 2.75Å; K66-F69 PolarHBondContact O-N 2.57Å; K66-F69 VanDerWaalsContact O-N 3.1Å; K66-W70 PolarHBondContact O-N 3.49Å
67R67.3Low70.9Confident207 Ų207119.8 Ų119.878%0.78158%0.582SS**Hα-helixtrans-63.6-33.3179.6-169.3168.8177-174.5-0.9112.5L65L65-R67 PolarHBondContact O-N 3.39Å
68K67.3Low72.1Confident150 Ų150114.8 Ų114.865%0.65257%0.569SS**Hα-helixtrans-73.1-30.1176.9-160173.8-175.1175.90111.7L65 K66 K72L65-K68 PolarHBondContact O-N 3.46Å; L65-K68 VanDerWaalsContact O-N 3.08Å; K66-K68 VanDerWaalsContact C-N 3.27Å; K66-K68 PolarHBondContact O-N 2.75Å; K68-K72 WeakPolarHBondContact O-CD 3.47Å; K68-K72 WeakPolarHBondContact O-CG 3.15Å; K68-K72 PolarHBondContact O-N 3.1Å
69F69.5Low73.4Confident101 Ų101110.8 Ų110.844%0.44356%0.556SS.*Hα-helixtrans-74.5-34.1178.8-89.8-78.2000113.7L65 K66 W71 K72 N73L65-F69 HydrophobicContact CB-CD2 4.01Å; L65-F69 HydrophobicContact CB-CE2 4Å; L65-F69 HydrophobicContact CD2-CE2 4.02Å; L65-F69 WeakPolarHBondContact O-CD2 3.32Å; L65-F69 PolarHBondContact O-N 2.8Å; L65-F69 VanDerWaalsContact O-N 3.1Å; K66-F69 PolarHBondContact O-N 2.57Å; K66-F69 VanDerWaalsContact O-N 3.1Å; F69-W71 PolarHBondContact O-N 3.37Å; F69-K72 HydrophobicContact CD1-CD 4.33Å; F69-K72 CarbonylContact O-C 3.28Å; F69-K72 WeakPolarHBondContact O-CA 3.39Å; F69-K72 WeakPolarHBondContact O-CB 3.49Å; F69-K72 PolarHBondContact O-N 3.43Å; F69-K72 VanDerWaalsContact O-N 3.13Å; F69-N73 PolarHBondContact O-N 2.89Å; F69-N73 PolarHBondContact O-OD1 2.7Å
70W70.9Confident74.9Confident196 Ų196112 Ų11274%0.74257%0.565SS**Hα-helixtrans-62.2-46-178.2-164.460.5000112.5K66 K72 N73 C74K66-W70 PolarHBondContact O-N 3.49Å; W70-K72 VanDerWaalsContact C-N 3.32Å; W70-K72 PolarHBondContact O-N 2.69Å; W70-N73 PolarHBondContact O-N 2.71Å; W70-C74 PolarHBondContact O-N 3.25Å
71W75.4Confident76.4Confident174 Ų174109.3 Ų109.366%0.65955%0.546SS*.Hα-helixtrans-68.2-33.3174.3-67.31.2000112.5F69 K75F69-W71 PolarHBondContact O-N 3.37Å; W71-K75 WeakPolarHBondContact O-CB 3.37Å; W71-K75 PolarHBondContact O-N 3.2Å
72K79.5Confident78Confident95 Ų95110.4 Ų110.441%0.41355%0.55SS..Hα-helixtrans-62.4-43.7172.5-77.9174.3167.9-165.60111.2K68 F69 W70 C74 K75 M76K68-K72 WeakPolarHBondContact O-CD 3.47Å; K68-K72 WeakPolarHBondContact O-CG 3.15Å; K68-K72 PolarHBondContact O-N 3.1Å; F69-K72 HydrophobicContact CD1-CD 4.33Å; F69-K72 CarbonylContact O-C 3.28Å; F69-K72 WeakPolarHBondContact O-CA 3.39Å; F69-K72 WeakPolarHBondContact O-CB 3.49Å; F69-K72 PolarHBondContact O-N 3.43Å; F69-K72 VanDerWaalsContact O-N 3.13Å; W70-K72 VanDerWaalsContact C-N 3.32Å; W70-K72 PolarHBondContact O-N 2.69Å; K72-C74 PolarHBondContact O-N 3.05Å; K72-K75 CarbonylContact O-C 3.49Å; K72-K75 PolarHBondContact O-N 2.63Å; K72-M76 VanDerWaalsContact O-CB 3.27Å; K72-M76 WeakPolarHBondContact O-CB 3.17Å; K72-M76 WeakPolarHBondContact O-CG 3.08Å; K72-M76 PolarHBondContact O-N 3.14Å
73N83.8Confident79.5Confident98 Ų98113.5 Ų113.552%0.52456%0.562SS.*Hα-helixtrans-62.6-44.1-178.7-69.6-8.8000111.8F69 W70 K75 M76 L77F69-N73 PolarHBondContact O-N 2.89Å; F69-N73 PolarHBondContact O-OD1 2.7Å; W70-N73 PolarHBondContact O-N 2.71Å; N73-K75 PolarHBondContact O-N 3.45Å; N73-M76 PolarHBondContact O-N 3.44Å; N73-L77 WeakPolarHBondContact O-CB 3.36Å; N73-L77 PolarHBondContact O-N 3.46Å
74C83Confident81Confident94 Ų94114.8 Ų114.864%0.63556%0.559SS**Hα-helixtrans-60.5-45.8173.8-174.90000111.3W70 K72 M76 L77 A78W70-C74 PolarHBondContact O-N 3.25Å; K72-C74 PolarHBondContact O-N 3.05Å; C74-M76 PolarHBondContact O-N 3.39Å; C74-L77 PolarHBondContact O-N 3.32Å; C74-A78 PolarHBondContact O-N 2.73Å
75K84.8Confident82.5Confident150 Ų150111.3 Ų111.365%0.65255%0.551SS**Hα-helixtrans-64.6-37.9175.7-171.6178.4173.474.30112.6W71 K72 N73 A78 V79W71-K75 WeakPolarHBondContact O-CB 3.37Å; W71-K75 PolarHBondContact O-N 3.2Å; K72-K75 CarbonylContact O-C 3.49Å; K72-K75 PolarHBondContact O-N 2.63Å; N73-K75 PolarHBondContact O-N 3.45Å; K75-A78 PolarHBondContact O-N 3.31Å; K75-V79 HydrophobicContact CG-CG2 4.4Å; K75-V79 WeakPolarHBondContact O-CB 3.14Å; K75-V79 WeakPolarHBondContact O-CG2 3.34Å; K75-V79 PolarHBondContact O-N 2.86Å
76M86.9Confident84.4Confident120 Ų120111.6 Ų111.659%0.59155%0.552SS**Hα-helixtrans-70.2-38.7179.5-74.6-58.3-65.200110.9K72 N73 C74 A78 V79 L80K72-M76 VanDerWaalsContact O-CB 3.27Å; K72-M76 WeakPolarHBondContact O-CB 3.17Å; K72-M76 WeakPolarHBondContact O-CG 3.08Å; K72-M76 PolarHBondContact O-N 3.14Å; N73-M76 PolarHBondContact O-N 3.44Å; C74-M76 PolarHBondContact O-N 3.39Å; M76-A78 VanDerWaalsContact C-N 3.34Å; M76-V79 PolarHBondContact O-N 3.41Å; M76-L80 WeakPolarHBondContact O-CB 3.48Å; M76-L80 PolarHBondContact O-N 2.86Å
77L88.4Confident85.8Confident123 Ų123110.5 Ų110.564%0.64455%0.552SS**Hα-helixtrans-62.6-43.9172.5-174.470.8000110.6N73 C74 L80 G81N73-L77 WeakPolarHBondContact O-CB 3.36Å; N73-L77 PolarHBondContact O-N 3.46Å; C74-L77 PolarHBondContact O-N 3.32Å; L77-L80 PolarHBondContact O-N 3.38Å; L77-G81 PolarHBondContact O-N 3.42Å
78A91.7Very high87.2Confident57 Ų57104.9 Ų104.947%0.47154%0.537SS..Hα-helixtrans-62.8-45.9174.500000111.9C74 K75 M76 L80 G81 V82C74-A78 PolarHBondContact O-N 2.73Å; K75-A78 PolarHBondContact O-N 3.31Å; M76-A78 VanDerWaalsContact C-N 3.34Å; A78-L80 VanDerWaalsContact C-N 3.31Å; A78-L80 PolarHBondContact O-N 2.9Å; A78-G81 PolarHBondContact O-N 2.95Å; A78-V82 WeakPolarHBondContact O-CG2 3.2Å; A78-V82 PolarHBondContact O-N 3.49Å
79V91.9Very high88.5Confident63 Ų63102.3 Ų102.338%0.38253%0.529SS..Hα-helixtrans-62.4-39.1176.3169.10000111.2K75 M76 V82 L83K75-V79 HydrophobicContact CG-CG2 4.4Å; K75-V79 WeakPolarHBondContact O-CB 3.14Å; K75-V79 WeakPolarHBondContact O-CG2 3.34Å; K75-V79 PolarHBondContact O-N 2.86Å; M76-V79 PolarHBondContact O-N 3.41Å; V79-V82 PolarHBondContact O-N 2.82Å; V79-L83 HydrophobicContact CG1-CD1 4.11Å; V79-L83 WeakPolarHBondContact O-CB 3.48Å; V79-L83 PolarHBondContact O-N 3.11Å
80L91.7Very high89.7Confident104 Ų104101.9 Ų101.955%0.54554%0.535SS..Hα-helixtrans-62.5-44.3174.8-176.964.5000110.8M76 L77 A78 L83 V84M76-L80 WeakPolarHBondContact O-CB 3.48Å; M76-L80 PolarHBondContact O-N 2.86Å; L77-L80 PolarHBondContact O-N 3.38Å; A78-L80 VanDerWaalsContact C-N 3.31Å; A78-L80 PolarHBondContact O-N 2.9Å; L80-L83 WeakPolarHBondContact O-CB 3.4Å; L80-L83 PolarHBondContact O-N 3.22Å; L80-V84 WeakPolarHBondContact O-CG2 3.39Å; L80-V84 PolarHBondContact O-N 3.27Å; L80-V84 VanDerWaalsContact O-N 3.1Å
81G93.4Very high90.8Very high37 Ų3797.5 Ų97.538%0.38153%0.525SS..Hα-helixtrans-59.8-45.1172.700000112.6L77 A78 L83 V84 V85L77-G81 PolarHBondContact O-N 3.42Å; A78-G81 PolarHBondContact O-N 2.95Å; G81-L83 PolarHBondContact O-N 2.72Å; G81-V84 PolarHBondContact O-N 3.44Å; G81-V85 WeakPolarHBondContact O-CG2 3.34Å; G81-V85 PolarHBondContact O-N 3.41Å
82V95.7Very high91.7Very high86 Ų8693.7 Ų93.752%0.52152%0.517SS..Hα-helixtrans-62.4-42.3177171.80000111.7A78 V79 V84 V85 I86A78-V82 WeakPolarHBondContact O-CG2 3.2Å; A78-V82 PolarHBondContact O-N 3.49Å; V79-V82 PolarHBondContact O-N 2.82Å; V82-V84 VanDerWaalsContact C-N 3.32Å; V82-V84 PolarHBondContact O-N 2.76Å; V82-V85 PolarHBondContact O-N 2.82Å; V82-I86 HydrophobicContact CG1-CD1 3.85Å; V82-I86 HydrophobicContact CG1-CG1 4.39Å; V82-I86 WeakPolarHBondContact O-CG1 3.35Å; V82-I86 PolarHBondContact O-N 3.49Å
83L95.1Very high92.4Very high93 Ų9393 Ų9349%0.48752%0.521SS..Hα-helixtrans-56.8-45.8174.8-98.5153.3000111.6V79 L80 G81 V85 I86 L87V79-L83 HydrophobicContact CG1-CD1 4.11Å; V79-L83 WeakPolarHBondContact O-CB 3.48Å; V79-L83 PolarHBondContact O-N 3.11Å; L80-L83 WeakPolarHBondContact O-CB 3.4Å; L80-L83 PolarHBondContact O-N 3.22Å; G81-L83 PolarHBondContact O-N 2.72Å; L83-V85 VanDerWaalsContact C-N 3.34Å; L83-V85 PolarHBondContact O-N 2.89Å; L83-I86 PolarHBondContact O-N 2.86Å; L83-L87 WeakPolarHBondContact O-CG 3.28Å; L83-L87 PolarHBondContact O-N 2.7Å; L83-L87 VanDerWaalsContact O-N 3.12Å
84V96.3Very high92.8Very high78 Ų7896.6 Ų96.647%0.47353%0.527SS..Hα-helixtrans-61.2-43.4176.5173.60000111.2L80 G81 V82 I86 L87 I88L80-V84 WeakPolarHBondContact O-CG2 3.39Å; L80-V84 PolarHBondContact O-N 3.27Å; L80-V84 VanDerWaalsContact O-N 3.1Å; G81-V84 PolarHBondContact O-N 3.44Å; V82-V84 VanDerWaalsContact C-N 3.32Å; V82-V84 PolarHBondContact O-N 2.76Å; V84-I86 PolarHBondContact O-N 3.26Å; V84-L87 PolarHBondContact O-N 2.8Å; V84-I88 HydrophobicContact CG1-CD1 4.08Å; V84-I88 WeakPolarHBondContact O-CG1 3.14Å; V84-I88 PolarHBondContact O-N 3.11Å; V84-I88 VanDerWaalsContact O-N 3.16Å
85V96.4Very high93.2Very high83 Ų8395.9 Ų95.950%0.50352%0.519SS..Hα-helixtrans-62.8-42.5178.2173.20000112G81 V82 L83 L87 I88 I89G81-V85 WeakPolarHBondContact O-CG2 3.34Å; G81-V85 PolarHBondContact O-N 3.41Å; V82-V85 PolarHBondContact O-N 2.82Å; L83-V85 VanDerWaalsContact C-N 3.34Å; L83-V85 PolarHBondContact O-N 2.89Å; V85-L87 PolarHBondContact O-N 2.7Å; V85-I88 WeakPolarHBondContact O-CB 3.43Å; V85-I88 PolarHBondContact O-N 3.42Å; V85-I89 HydrophobicContact CG1-CD1 4.14Å; V85-I89 WeakPolarHBondContact O-CG1 3.19Å; V85-I89 PolarHBondContact O-N 2.75Å; V85-I89 VanDerWaalsContact O-N 3.09Å
86I96.3Very high93.5Very high92 Ų9293.1 Ų93.147%0.47252%0.515SS..Hα-helixtrans-62.6-44.2178.4-67.7165.8000111V82 L83 V84 I88 I89 V90V82-I86 HydrophobicContact CG1-CD1 3.85Å; V82-I86 HydrophobicContact CG1-CG1 4.39Å; V82-I86 WeakPolarHBondContact O-CG1 3.35Å; V82-I86 PolarHBondContact O-N 3.49Å; L83-I86 PolarHBondContact O-N 2.86Å; V84-I86 PolarHBondContact O-N 3.26Å; I86-I88 VanDerWaalsContact C-N 3.26Å; I86-I88 PolarHBondContact O-N 2.82Å; I86-I89 PolarHBondContact O-N 3.28Å; I86-I89 VanDerWaalsContact O-N 3.13Å; I86-V90 PolarHBondContact O-N 2.73Å
87L95.7Very high93.4Very high119 Ų11989.8 Ų89.862%0.62350%0.504SS*.Hα-helixtrans-59.1-39.6177.4-70.3176.1000111.7L83 V84 V85 V90 L91L83-L87 WeakPolarHBondContact O-CG 3.28Å; L83-L87 PolarHBondContact O-N 2.7Å; L83-L87 VanDerWaalsContact O-N 3.12Å; V84-L87 PolarHBondContact O-N 2.8Å; V85-L87 PolarHBondContact O-N 2.7Å; L87-V90 PolarHBondContact O-N 3.47Å; L87-L91 WeakPolarHBondContact O-CB 3.36Å; L87-L91 PolarHBondContact O-N 3.29Å
88I96.6Very high93Very high90 Ų9089.1 Ų89.146%0.46250%0.497SS..Hα-helixtrans-63.3-43.4175.7-66.9166.4000111V84 V85 I86 L91 I92V84-I88 HydrophobicContact CG1-CD1 4.08Å; V84-I88 WeakPolarHBondContact O-CG1 3.14Å; V84-I88 PolarHBondContact O-N 3.11Å; V84-I88 VanDerWaalsContact O-N 3.16Å; V85-I88 WeakPolarHBondContact O-CB 3.43Å; V85-I88 PolarHBondContact O-N 3.42Å; I86-I88 VanDerWaalsContact C-N 3.26Å; I86-I88 PolarHBondContact O-N 2.82Å; I88-L91 PolarHBondContact O-N 2.87Å; I88-I92 HydrophobicContact CG2-CD1 3.84Å; I88-I92 VanDerWaalsContact O-CG1 3.29Å; I88-I92 WeakPolarHBondContact O-CG1 3.36Å; I88-I92 PolarHBondContact O-N 3.31Å
89I95.6Very high92Very high96 Ų9692.8 Ų92.849%0.49250%0.504SS..Hα-helixtrans-62.3-46.5179-66.5167.2000111.2V85 I86 L91 I92 V93V85-I89 HydrophobicContact CG1-CD1 4.14Å; V85-I89 WeakPolarHBondContact O-CG1 3.19Å; V85-I89 PolarHBondContact O-N 2.75Å; V85-I89 VanDerWaalsContact O-N 3.09Å; I86-I89 PolarHBondContact O-N 3.28Å; I86-I89 VanDerWaalsContact O-N 3.13Å; I89-L91 VanDerWaalsContact C-N 3.32Å; I89-L91 PolarHBondContact O-N 3.27Å; I89-I92 PolarHBondContact O-N 2.76Å; I89-V93 HydrophobicContact CG2-CG2 4.45Å; I89-V93 WeakPolarHBondContact O-CG2 3.44Å; I89-V93 PolarHBondContact O-N 3.47Å
90V94.8Very high90.7Very high92 Ų9296.2 Ų96.256%0.55851%0.514SS*.Hα-helixtrans-61.1-43.6178.3173.30000110.7I86 L87 I92 V93 W94I86-V90 PolarHBondContact O-N 2.73Å; L87-V90 PolarHBondContact O-N 3.47Å; V90-I92 VanDerWaalsContact C-N 3.33Å; V90-I92 PolarHBondContact O-N 3.35Å; V90-V93 PolarHBondContact O-N 3.48Å; V90-W94 WeakPolarHBondContact O-CB 3.39Å; V90-W94 PolarHBondContact O-N 3.32Å
91L93.6Very high89.2Confident103 Ų10396.7 Ų96.754%0.53952%0.517SS..Hα-helixtrans-58.1-45.9176.6-172.573.3000111.2L87 I88 I89 W94 V95L87-L91 WeakPolarHBondContact O-CB 3.36Å; L87-L91 PolarHBondContact O-N 3.29Å; I88-L91 PolarHBondContact O-N 2.87Å; I89-L91 VanDerWaalsContact C-N 3.32Å; I89-L91 PolarHBondContact O-N 3.27Å; L91-W94 PolarHBondContact O-N 2.8Å; L91-V95 WeakPolarHBondContact O-CB 3.32Å; L91-V95 VanDerWaalsContact O-CG2 3.24Å; L91-V95 WeakPolarHBondContact O-CG2 3.45Å; L91-V95 PolarHBondContact O-N 3.32Å
92I94.4Very high87.6Confident94 Ų94102.4 Ų102.448%0.48253%0.532SS..Hα-helixtrans-62-48177.7-67.1164.3000110.9I88 I89 V90 W94 V95 V96I88-I92 HydrophobicContact CG2-CD1 3.84Å; I88-I92 VanDerWaalsContact O-CG1 3.29Å; I88-I92 WeakPolarHBondContact O-CG1 3.36Å; I88-I92 PolarHBondContact O-N 3.31Å; I89-I92 PolarHBondContact O-N 2.76Å; V90-I92 VanDerWaalsContact C-N 3.33Å; V90-I92 PolarHBondContact O-N 3.35Å; I92-W94 VanDerWaalsContact C-N 3.31Å; I92-W94 PolarHBondContact O-N 3.29Å; I92-V95 PolarHBondContact O-N 3.21Å; I92-V96 HydrophobicContact CG2-CG2 4.17Å; I92-V96 WeakPolarHBondContact O-CB 3.24Å; I92-V96 WeakPolarHBondContact O-CG2 3.35Å; I92-V96 PolarHBondContact O-N 2.91Å
93V93.4Very high85.9Confident82 Ų82102.7 Ų102.750%0.49753%0.533SS..Hα-helixtrans-61.7-41.6179.71720000111.1I89 V90 V96 S97I89-V93 HydrophobicContact CG2-CG2 4.45Å; I89-V93 WeakPolarHBondContact O-CG2 3.44Å; I89-V93 PolarHBondContact O-N 3.47Å; V90-V93 PolarHBondContact O-N 3.48Å; V93-V96 PolarHBondContact O-N 3.49Å; V93-S97 WeakPolarHBondContact O-CB 3.3Å; V93-S97 PolarHBondContact O-N 2.97Å; V93-S97 PolarHBondContact O-OG 3.09Å
94W93.2Very high84.1Confident173 Ų173104.9 Ų104.966%0.65554%0.541SS*.Hα-helixtrans-63.9-48.9179.4-169.453.5000111.3V90 L91 I92 V96 S97 E98V90-W94 WeakPolarHBondContact O-CB 3.39Å; V90-W94 PolarHBondContact O-N 3.32Å; L91-W94 PolarHBondContact O-N 2.8Å; I92-W94 VanDerWaalsContact C-N 3.31Å; I92-W94 PolarHBondContact O-N 3.29Å; W94-V96 PolarHBondContact O-N 3.03Å; W94-S97 PolarHBondContact O-N 3.18Å; W94-E98 PolarHBondContact O-N 3.02Å; W94-E98 VanDerWaalsContact O-N 3.07Å
95V91.8Very high81.9Confident79 Ų79109.4 Ų109.448%0.47956%0.557SS.*Hα-helixtrans-61.5-43.9176.9171.80000111.8L91 I92 E98 Q99L91-V95 WeakPolarHBondContact O-CB 3.32Å; L91-V95 VanDerWaalsContact O-CG2 3.24Å; L91-V95 WeakPolarHBondContact O-CG2 3.45Å; L91-V95 PolarHBondContact O-N 3.32Å; I92-V95 PolarHBondContact O-N 3.21Å; V95-E98 PolarHBondContact O-N 3.47Å; V95-Q99 PolarHBondContact O-N 2.91Å
96V90.8Very high79.8Confident91 Ų91109.5 Ų109.555%0.55256%0.561SS**Hα-helixtrans-68.7-37.2178.7171.60000111.7I92 V93 W94 E98 Q99 K100I92-V96 HydrophobicContact CG2-CG2 4.17Å; I92-V96 WeakPolarHBondContact O-CB 3.24Å; I92-V96 WeakPolarHBondContact O-CG2 3.35Å; I92-V96 PolarHBondContact O-N 2.91Å; V93-V96 PolarHBondContact O-N 3.49Å; W94-V96 PolarHBondContact O-N 3.03Å; V96-E98 VanDerWaalsContact C-N 3.31Å; V96-E98 PolarHBondContact O-N 3.5Å; V96-Q99 PolarHBondContact O-N 3.43Å; V96-K100 PolarHBondContact O-N 3.26Å
97S84.8Confident77.8Confident51 Ų51113.2 Ų113.236%0.35758%0.577SS.*Hα-helixtrans-67.6-33.3178.8-60.90000112V93 W94 Q99 K100 N101V93-S97 WeakPolarHBondContact O-CB 3.3Å; V93-S97 PolarHBondContact O-N 2.97Å; V93-S97 PolarHBondContact O-OG 3.09Å; W94-S97 PolarHBondContact O-N 3.18Å; S97-Q99 VanDerWaalsContact C-N 3.33Å; S97-K100 WeakPolarHBondContact O-CB 2.88Å; S97-K100 PolarHBondContact O-N 2.92Å; S97-K100 VanDerWaalsContact O-N 3.14Å; S97-N101 PolarHBondContact O-N 3.48Å; S97-N101 VanDerWaalsContact O-N 3.13Å; S97-N101 PolarHBondContact O-ND2 3.04Å
98E79.1Confident75.3Confident109 Ų109116.3 Ų116.351%0.50959%0.588SS.*Hα-helixtrans-66.5-35.7176.1-164.9161.5-172.500112.2W94 V95 V96 K100 N101W94-E98 PolarHBondContact O-N 3.02Å; W94-E98 VanDerWaalsContact O-N 3.07Å; V95-E98 PolarHBondContact O-N 3.47Å; V96-E98 VanDerWaalsContact C-N 3.31Å; V96-E98 PolarHBondContact O-N 3.5Å; E98-K100 VanDerWaalsContact C-N 3.31Å; E98-K100 PolarHBondContact O-N 3.02Å; E98-N101 PolarHBondContact O-N 3.32Å
99Q70.7Confident73.1Confident134 Ų134117.2 Ų117.263%0.62660%0.602SS**Hα-helixtrans-66-34171.5-65.3-6895.300111.9V95 V96 S97 K102V95-Q99 PolarHBondContact O-N 2.91Å; V96-Q99 PolarHBondContact O-N 3.43Å; S97-Q99 VanDerWaalsContact C-N 3.33Å; Q99-K102 PolarHBondContact O-N 3.43Å
100K64.3Low70.7Confident134 Ų134116.9 Ų116.958%0.58361%0.608SS**Hα-helixtrans-69.4-39179.3-152.6178.778.91790112.4V96 S97 E98 K102 V103V96-K100 PolarHBondContact O-N 3.26Å; S97-K100 WeakPolarHBondContact O-CB 2.88Å; S97-K100 PolarHBondContact O-N 2.92Å; S97-K100 VanDerWaalsContact O-N 3.14Å; E98-K100 VanDerWaalsContact C-N 3.31Å; E98-K100 PolarHBondContact O-N 3.02Å; K100-K102 PolarHBondContact O-N 2.69Å; K100-V103 PolarHBondContact O-N 2.87Å
101N61Low68.1Low115 Ų115121.6 Ų121.662%0.61562%0.624SS**Hα-helixtrans-64.6-19.2179-76.2-37.2000113.8S97 E98S97-N101 PolarHBondContact O-N 3.48Å; S97-N101 VanDerWaalsContact O-N 3.13Å; S97-N101 PolarHBondContact O-ND2 3.04Å; E98-N101 PolarHBondContact O-N 3.32Å
102K60.5Low65.6Low157 Ų157124.5 Ų124.568%0.68363%0.634SS**Hα-helixtrans-83.3-22.2175.7-81.1-179179.2-71.60114.3Q99 K100Q99-K102 PolarHBondContact O-N 3.43Å; K100-K102 PolarHBondContact O-N 2.69Å
103V59.3Low63.4Low91 Ų91126.8 Ų126.855%0.55265%0.647SS**Hα-helixtrans-85.1-29.3-174.9-177.50000112K100 Q105 S106K100-V103 PolarHBondContact O-N 2.87Å; V103-Q105 VanDerWaalsContact C-N 3.28Å; V103-Q105 PolarHBondContact O-N 3.19Å; V103-S106 PolarHBondContact O-N 2.84Å; V103-S106 PolarHBondContact O-OG 2.95Å
104E57.5Low61.5Low139 Ų139127.9 Ų127.965%0.6565%0.653SS**THydrogen-bonded Turntrans-75.2-15.4-179-65.6-168.5169.900113.7S106E104-S106 VanDerWaalsContact C-N 3.33Å
105Q50Low59.6Low173 Ų173126.7 Ų126.781%0.80866%0.657SS**THydrogen-bonded Turntrans-81.4-13174.5-161.4164.7-0.900113.1V103V103-Q105 VanDerWaalsContact C-N 3.28Å; V103-Q105 PolarHBondContact O-N 3.19Å
106S52.9Low57.8Low85 Ų85130.2 Ų130.259%0.59467%0.673SS**SBendtrans-88.7-16.4178.844.10000115.3V103 E104V103-S106 PolarHBondContact O-N 2.84Å; V103-S106 PolarHBondContact O-OG 2.95Å; E104-S106 VanDerWaalsContact C-N 3.33Å
107E53.8Low56.2Low170 Ų170132.9 Ų132.979%0.79468%0.684SS**SBendtrans-109.8-0.3-175.4-77.4-159.612600116
108H43.9Very low54.3Low185 Ų185134.3 Ų134.386%0.85669%0.694SS**SBendtrans-107.124.6175.9-145.9166.6000114.4
109S49.3Very low52.7Low108 Ų108134.2 Ų134.276%0.75571%0.706SS**SBendtrans-127.525.2174.2-168.80000113.5
110S44.7Very low51.8Low90 Ų90135.5 Ų135.563%0.62971%0.711SS**SBendtrans-134119.5170.9-61.70000108.4
111H40.8Very low50.8Low190 Ų190136 Ų13688%0.8872%0.72SS**SBendtrans84.478.6168-61.6-93.7000118.6
112H41.7Very low49.8Very low164 Ų164138.1 Ų138.176%0.75973%0.73SS**  -154.976.7120.2-171-97.7000110.4
113L46.8Very low49.2Very low143 Ų143136.1 Ų136.175%0.74974%0.736SS**  trans-117.457.5168.4-139.6142.2000107.7M115L113-M115 HydrophobicContact CD2-CE 3.49Å; L113-M115 VanDerWaalsContact CD2-CE 3.49Å; L113-M115 HydrophobicContact CD2-CG 4.22Å
114V54.9Low48.9Very low104 Ų104140.5 Ų140.563%0.6375%0.75SS**  trans-87.6114.1160.6178.40000105.8D116V114-D116 PolarHBondContact O-N 3.28Å
115M53.7Low48.2Very low149 Ų149139.2 Ų139.273%0.73475%0.754SS**  trans-72.9102.4178.4-65-140.5159.500109.5L113 N117L113-M115 HydrophobicContact CD2-CE 3.49Å; L113-M115 VanDerWaalsContact CD2-CE 3.49Å; L113-M115 HydrophobicContact CD2-CG 4.22Å; M115-N117 PolarHBondContact O-N 2.97Å
116D52.4Low48Very low152 Ų152135.8 Ų135.881%0.81374%0.744SS**  trans-74.190.4153.7-82.4-30.8000107.4V114 S118V114-D116 PolarHBondContact O-N 3.28Å; D116-S118 PolarHBondContact O-N 2.87Å
117N59.1Low47.7Very low148 Ų148140.2 Ų140.279%0.79176%0.758SS**  trans-70.886.2174.6-171.314.3000109.5M115M115-N117 PolarHBondContact O-N 2.97Å
118S44.1Very low46.7Very low80 Ų80139.7 Ų139.756%0.55976%0.757SS**  trans-6.9119.2147.9-69.30000116.3D116D116-S118 PolarHBondContact O-N 2.87Å
119S45.1Very low46.6Very low108 Ų108138.4 Ų138.476%0.75575%0.752SS**  trans-124.163.1143.5540000108.6L121S119-L121 VanDerWaalsContact O-CD2 3.22Å; S119-L121 WeakPolarHBondContact O-CD2 3.31Å
120H51Low46.4Very low160 Ų160140.7 Ų140.774%0.74175%0.75SS**  trans-82.2122.7164.870.4-87.9000108.1L122H120-L122 PolarHBondContact O-N 2.86Å
121L43.8Very low46.3Very low146 Ų146140.8 Ų140.876%0.76475%0.751SS**  trans-64.2129-171.7-80.4-87.1000110.2S119S119-L121 VanDerWaalsContact O-CD2 3.22Å; S119-L121 WeakPolarHBondContact O-CD2 3.31Å
122L40.8Very low46.5Very low159 Ų159143 Ų14383%0.83275%0.752SS**  trans-11.9121.7147-62.7171000114.5H120H120-L122 PolarHBondContact O-N 2.86Å
123S48.5Very low46.3Very low115 Ų115144.7 Ų144.780%0.80476%0.76SS**  trans171.2134.2140.1-69.90000107
124E51.3Low46Very low183 Ų183141.9 Ų141.986%0.85577%0.765SS**  cis-153149.6-15.8-104.3-176.9112.100104.3
125P44.2Very low45.4Very low111 Ų111146.1 Ų146.172%0.72178%0.775SS**  trans-87.9153.6-171.635-34.3000113.5
126V45.3Very low44.7Very low101 Ų101143.7 Ų143.761%0.61277%0.773SS**  trans71.8113142.1175.90000118.1M128V126-M128 HydrophobicContact CG1-CB 4.5Å; V126-M128 HydrophobicContact CG1-CE 4.38Å; V126-M128 HydrophobicContact CG1-CG 4.04Å; V126-M128 HydrophobicContact CG1-SD 4.49Å
127M45.7Very low44.4Very low179 Ų179143.9 Ų143.988%0.88277%0.772SS**  -14798.7126.4-63-61.3-85.100105
128M34.1Very low43.3Very low159 Ų159144.9 Ų144.978%0.78377%0.77SS**  30.2108.787.9-72.6-168.3-165.900113.1V126V126-M128 HydrophobicContact CG1-CB 4.5Å; V126-M128 HydrophobicContact CG1-CE 4.38Å; V126-M128 HydrophobicContact CG1-CG 4.04Å; V126-M128 HydrophobicContact CG1-SD 4.49Å
129E40.6Very low43.7Very low158 Ų158146.1 Ų146.174%0.73878%0.776SS**  165.8154.4106.2-165.8166.7114.400112.4
130H45Very low43.4Very low155 Ų155145.6 Ų145.672%0.71876%0.764SS**  trans80.489.5168.4-67.5-35.4000118
131S43.1Very low42.9Very low93 Ų93145.1 Ų145.165%0.6576%0.762SS**  79.786.980.3-1670000110.5
132R45.3Very low43Very low236 Ų236146.1 Ų146.189%0.89176%0.763SS**  53.285.8105.6-73.8-165.1-175.9116.70.1113.1
133E37.8Very low42.9Very low200 Ų200146.7 Ų146.794%0.93576%0.763SS**  trans-150.6142.3145.6-72.3-158.4119.200108.7
134G40.7Very low42.9Very low83 Ų83149 Ų14986%0.85677%0.765SS**  trans126.958.9172.400000114.9
135K41.7Very low42.1Very low194 Ų194144.4 Ų144.484%0.84375%0.753SS**  trans-72.2138.2174.9-175.2171.1178.5-179.90111.4
136S39.5Very low41.8Very low97 Ų97146.1 Ų146.168%0.67876%0.755SS**  trans20.1115.7156.666.60000119.4
137I46.4Very low41.8Very low157 Ų157147.5 Ų147.581%0.80576%0.759SS**  trans-136.4101.2147.8-58.8-177.9000107.6P139I137-P139 WeakPolarHBondContact O-CD 2.89Å
138F36Very low41.8Very low168 Ų168146.1 Ų146.174%0.73775%0.751SS**  trans-73.2125.3157.4-133.6-113000106.6D140F138-D140 HydrophobicContact CD1-CB 3.93Å; F138-D140 WeakPolarHBondContact CD1-OD2 3.24Å; F138-D140 HydrophobicContact CE1-CB 4.27Å; F138-D140 WeakPolarHBondContact CE1-OD1 3.08Å; F138-D140 WeakPolarHBondContact CE1-OD2 3.11Å
139P51.7Low42.2Very low107 Ų107145.5 Ų145.570%0.69575%0.749SS**  trans-110.695.2147.631.6-20.1000106.9I137I137-P139 WeakPolarHBondContact O-CD 2.89Å
140D38.8Very low42.7Very low96 Ų96145.2 Ų145.251%0.51375%0.753SS.*  trans-61.4150.3161.6-107.3-27.9000111.2F138F138-D140 HydrophobicContact CD1-CB 3.93Å; F138-D140 WeakPolarHBondContact CD1-OD2 3.24Å; F138-D140 HydrophobicContact CE1-CB 4.27Å; F138-D140 WeakPolarHBondContact CE1-OD1 3.08Å; F138-D140 WeakPolarHBondContact CE1-OD2 3.11Å
141H39.9Very low42.5Very low151 Ų151143.6 Ų143.670%0.69975%0.754SS**  trans66.2102.5156.4-60.3-59.8000119.3
142H47.5Very low42.4Very low166 Ų166147.7 Ų147.777%0.76976%0.763SS**  trans-13791.3136.41.5-72.7000108.6
143M38.2Very low42.4Very low171 Ų171142.5 Ų142.584%0.84276%0.757SS**  trans-78.9112155.7-74.2-167.172.600107.2
144I47.5Very low43.3Very low163 Ų163139.3 Ų139.384%0.83675%0.754SS**  trans-94.4103.7164.5-59.8176.9000106.2
145S35.7Very low44Very low87 Ų87140.8 Ų140.861%0.60875%0.751SS**  trans-106.5155.4167.6-167.40000108.3
146L38Very low44.4Very low147 Ų147137.1 Ų137.177%0.7775%0.75SS**  trans79.1140.4171.8-41.9-178.8000113.7
147N44.4Very low45.2Very low131 Ų131141.7 Ų141.770%0.70176%0.758SS**  cis-164.2128.135.3-160.839.9000110.9
148E45.3Very low46Very low149 Ų149139.9 Ų139.970%0.69675%0.75SS**  trans41100.6132.5-146.1156.2146.200120.4N150E148-N150 PolarHBondContact O-N 3.46Å
149I42.8Very low47.2Very low147 Ų147136 Ų13675%0.75474%0.744SS**  23.384.9122.9-47.1174.9000115T151I149-T151 HydrophobicContact CG2-CG2 3.9Å; I149-T151 PolarHBondContact O-N 3.02Å
150N51.1Low47.1Very low152 Ų152137.6 Ų137.681%0.81375%0.746SS**  trans-72.6104.9159.7-67.3-49.7000109.2E148 E152E148-N150 PolarHBondContact O-N 3.46Å; N150-E152 PolarHBondContact O-N 3.23Å
151T41.9Very low47.6Very low120 Ų120142.7 Ų142.774%0.73676%0.764SS**  trans-81.881.217043.40000109.9I149 T153I149-T151 HydrophobicContact CG2-CG2 3.9Å; I149-T151 PolarHBondContact O-N 3.02Å; T151-T153 PolarHBondContact O-N 2.79Å
152E40.3Very low47.9Very low179 Ų179143 Ų14384%0.83677%0.769SS**  trans-80108.8172-63.9-158.6140.900110.5N150N150-E152 PolarHBondContact O-N 3.23Å
153T45.3Very low48.2Very low128 Ų128144.5 Ų144.579%0.78577%0.773SS**PPolyproline II helixtrans-59.2122.7174.449.40000111.3T151 S155T151-T153 PolarHBondContact O-N 2.79Å; T153-S155 PolarHBondContact O-N 3.37Å
154P57.2Low48.8Very low133 Ų133141.7 Ų141.786%0.86477%0.771SS**PPolyproline II helixtrans-73.8117.3179.726.4-30.8000111.2
155S54.5Low49.4Very low114 Ų114141.5 Ų141.580%0.79776%0.764SS**PPolyproline II helixtrans-60145.8178.357.30000113.4T153T153-S155 PolarHBondContact O-N 3.37Å
156S50.6Low50Low116 Ų116140.4 Ų140.481%0.81177%0.766SS**  trans-42.9132-175.555.30000116.9N158S156-N158 PolarHBondContact O-N 3.3Å
157F57.1Low50.5Low194 Ų194142.3 Ų142.385%0.85177%0.768SS**  trans-79.4116.2170.5-169.4-99.9000110
158N62.8Low51Low119 Ų119144.4 Ų144.464%0.63677%0.771SS**  trans-85.4116.3-177.6-179.7-18000111.2S156 N160S156-N158 PolarHBondContact O-N 3.3Å; N158-N160 VanDerWaalsContact C-N 3.25Å; N158-N160 PolarHBondContact O-N 3.3Å; N158-N160 VanDerWaalsContact O-N 3.14Å; N158-N160 WeakPolarHBondContact OD1-CB 3.47Å; N158-N160 PolarHBondContact OD1-N 3.32Å; N158-N160 PolarHBondContact OD1-ND2 3.4Å
159S60.1Low51.4Low87 Ų87145.3 Ų145.361%0.60878%0.775SS**  trans-76.914.4-172.2-640000116.4K161S159-K161 PolarHBondContact O-N 2.77Å; S159-K161 VanDerWaalsContact O-N 3.09Å
160N49.3Very low52.2Low139 Ų139145.1 Ų145.174%0.74378%0.775SS**  trans-89.259.6-174.4-67.1-8.9000113.8N158N158-N160 VanDerWaalsContact C-N 3.25Å; N158-N160 PolarHBondContact O-N 3.3Å; N158-N160 VanDerWaalsContact O-N 3.14Å; N158-N160 WeakPolarHBondContact OD1-CB 3.47Å; N158-N160 PolarHBondContact OD1-N 3.32Å; N158-N160 PolarHBondContact OD1-ND2 3.4Å
161K51.2Low52.6Low204 Ų204143.6 Ų143.689%0.88777%0.773SS**  trans-154.164.9157.5-159.1165.4-81.2-145.90113S159S159-K161 PolarHBondContact O-N 2.77Å; S159-K161 VanDerWaalsContact O-N 3.09Å
162I46.2Very low53.4Low157 Ų157143.1 Ų143.181%0.80578%0.775SS**  trans-98.2104.7162.7-58.5167.7000106.8
163K52.3Low54.3Low198 Ų198140.1 Ų140.186%0.86177%0.771SS**  trans-161.1129.9153.2-157.7135.2-179.8-172.90114.7
164S52.2Low54.9Low112 Ų112140.1 Ų140.178%0.78377%0.773SS**  trans73.991153.2-159.70000118.3
165K59Low54.4Low159 Ų159139.6 Ų139.669%0.69177%0.773SS**  trans-103.7116.5155.1-76.2-176.2-177.5175.80108.7S61 F167S61-K165 PolarHBondContact O-NZ 3.11Å; K165-F167 PolarHBondContact O-N 2.98Å
166G48.6Very low54.1Low63 Ų63139.5 Ų139.565%0.64977%0.772SS**  trans-56.9125169.500000111.4K168G166-K168 PolarHBondContact O-N 2.57Å; G166-K168 VanDerWaalsContact O-N 3.09Å
167F48.3Very low53.5Low188 Ų188142.1 Ų142.183%0.82578%0.776SS**  trans-64.697.7171.2-173.6-100.2000108.5K165 E169K165-F167 PolarHBondContact O-N 2.98Å; F167-E169 HydrophobicContact CD1-CG 4.19Å; F167-E169 HydrophobicContact CE1-CG 3.69Å
168K56Low53Low175 Ų175138.2 Ų138.276%0.76177%0.773SS**  trans-94.5108.8165.3-67.9-165.1177.1-160.30106.9G166 L170G166-K168 PolarHBondContact O-N 2.57Å; G166-K168 VanDerWaalsContact O-N 3.09Å; K168-L170 PolarHBondContact O-N 2.9Å
169E53.7Low52.3Low167 Ų167138.9 Ų138.978%0.7878%0.781SS**PPolyproline II helixtrans-46.9126.2172.2-76.5-161.3101.400110.5F167F167-E169 HydrophobicContact CD1-CG 4.19Å; F167-E169 HydrophobicContact CE1-CG 3.69Å
170L58.5Low51.6Low144 Ų144139.7 Ų139.775%0.75479%0.787SS**PPolyproline II helixtrans-89.4126.7174.9-85.1153.4000107.9K168K168-L170 PolarHBondContact O-N 2.9Å
171P58.8Low51.8Low119 Ų119139.2 Ų139.277%0.77379%0.792SS**PPolyproline II helixtrans-67.5140.5-177.625.8-32.4000111.8
172S60.3Low52.2Low110 Ų110135.1 Ų135.177%0.76979%0.788SS**PPolyproline II helixtrans-63.4138.2-177.4470000112.9
173P59.1Low52.1Low117 Ų117137.9 Ų137.976%0.7679%0.79SS**PPolyproline II helixtrans-76.6147.5-175.931.3-34000112.4
174P56.4Low52.3Low128 Ų128133.2 Ų133.283%0.83178%0.783SS**PPolyproline II helixtrans-75.8133.1-179.829.1-32.4000112
175S47.1Very low52.7Low121 Ų121132.7 Ų132.785%0.84678%0.777SS**  trans-80.9111.2174.745.70000111
176S48.2Very low52.5Low112 Ų112131 Ų13178%0.78379%0.785SS**  trans-149.4104.5158.959.50000110.7
177L39.1Very low52.4Low171 Ų171137.1 Ų137.190%0.89579%0.794SS**  trans-57.6133164.5-96.262.5000110.1
178S45.3Very low52.6Low113 Ų113133.2 Ų133.279%0.7979%0.79SS**  trans-133.5108156.9-173.70000108.5
179T48.8Very low52.4Low132 Ų132130.3 Ų130.381%0.8179%0.791SS**PPolyproline II helixtrans-67.3122-179.4-48.40000110
180S45.1Very low52.3Low105 Ų105132.2 Ų132.273%0.73479%0.793SS**PPolyproline II helixtrans-86.4145.3178.6-57.60000111.4
181P54.1Low52.2Low129 Ų129131.2 Ų131.284%0.83880%0.795SS**PPolyproline II helixtrans-82.8146.2-171.331.9-32.5000113.6
182S58.8Low52.1Low117 Ų117131.5 Ų131.582%0.81880%0.8SS**PPolyproline II helixtrans-69.4126.4-176.3-171.30000112.8
183Y45.2Very low51.9Low215 Ų215134.4 Ų134.484%0.84381%0.806SS**PPolyproline II helixtrans-94.7122179.8-164-95.5000110.5
184S55.9Low51.6Low100 Ų100134.2 Ų134.270%0.69981%0.807SS**  trans-116.7113.7178.6-59.10000110.1
185P60.7Low51.5Low102 Ų102137.5 Ų137.566%0.66281%0.812SS**  trans-86.2129.2-175.930.9-30.5000112.4
186S54.8Low51.6Low122 Ų122140 Ų14085%0.85381%0.809SS**  trans-85.6119.6174-54.60000111.1S188S186-S188 PolarHBondContact O-N 2.78Å
187F47.5Very low51.7Low193 Ų193138 Ų13885%0.84679%0.788SS**  trans-80.7108.6173.7-109-104.6000109.8
188S52.6Low52.1Low105 Ų105134.3 Ų134.373%0.73477%0.765SS**PPolyproline II helixtrans-97.7133.6171.4-179.60000110.2S186S186-S188 PolarHBondContact O-N 2.78Å
189S51.7Low52.5Low114 Ų114134.6 Ų134.680%0.79775%0.754SS**PPolyproline II helixtrans-59.5136.7-170.5-56.20000115.2
190Y50.1Low52.8Low207 Ų207131.9 Ų131.981%0.81273%0.734SS**PPolyproline II helixtrans-83136.5174.5-68.1-87.6000111.9
191P57.7Low53Low123 Ų123131.9 Ų131.980%0.79973%0.726SS**PPolyproline II helixtrans-78.2138.617829-31.3000112.7
192S56.6Low52.9Low126 Ų126131.9 Ų131.988%0.88172%0.715SS**PPolyproline II helixtrans-72.8120.7-179.5-168.70000111.4
193L55.3Low52.6Low170 Ų170131.6 Ų131.689%0.8971%0.708SS**PPolyproline II helixtrans-91.1117.9-175.7-163.968.4000111.2
194S51.9Low52.7Low113 Ų113126.4 Ų126.479%0.7970%0.703SS**PPolyproline II helixtrans-56.9140.5-177.7-69.10000115.1H196S194-H196 PolarHBondContact O-N 2.77Å
195Q54.9Low52.1Low198 Ų198129 Ų12993%0.92571%0.708SS**  trans-66.8112.4178.2-70.1-149.455.800112.7
196H48.8Very low51.3Low172 Ų172137.4 Ų137.480%0.79674%0.735SS**  trans-94.5121.5171.9-150.9-87.4000111S194S194-H196 PolarHBondContact O-N 2.77Å
197H50.5Low51.2Low71 Ų71138.2 Ų138.233%0.32973%0.729SS.*  trans-58.9143.9166-104.3-108.2000110.9K4 A5 I7K4-H197 WeakPolarHBondContact CB-CE1 3.18Å; K4-H197 VanDerWaalsContact CD-NE2 3.25Å; K4-H197 WeakPolarHBondContact CD-NE2 3.23Å; K4-H197 WeakPolarHBondContact CG-CE1 2.96Å; K4-H197 WeakPolarHBondContact CG-NE2 3.32Å; K4-H197 PolarHBondContact NZ-CD2 2.63Å; K4-H197 VanDerWaalsContact NZ-CD2 3.31Å; K4-H197 PolarHBondContact NZ-NE2 3.13Å; K4-H197 PolarHBondContact O-CE1 2.9Å; A5-H197 PolarHBondContact O-ND1 3.04Å; A5-H197 VanDerWaalsContact O-ND1 3.13Å; I7-H197 VanDerWaalsContact CD1-CA 3.45Å; I7-H197 HydrophobicContact CD1-CB 3.78Å; I7-H197 VanDerWaalsContact CD1-CE1 3.49Å; I7-H197 WeakPolarHBondContact CD1-CE1 3.45Å; I7-H197 WeakPolarHBondContact CD1-ND1 3.48Å
198F48Very low51.4Low94 Ų94135.3 Ų135.341%0.41272%0.723SS.*  trans-149.895.4178.3-178.3-87.4000105.9P6 I7 K8 T9P6-F198 CarbonylContact C-O 3.55Å; I7-F198 CarbonylContact C-O 3.55Å; I7-F198 WeakPolarHBondContact CA-O 3.36Å; I7-F198 WeakPolarHBondContact CB-O 3.05Å; I7-F198 HydrophobicContact CG2-CB 3.48Å; I7-F198 VanDerWaalsContact CG2-CB 3.48Å; I7-F198 VanDerWaalsContact CG2-O 3.23Å; I7-F198 WeakPolarHBondContact CG2-O 3.16Å; I7-F198 PolarHBondContact N-O 3.05Å; K8-F198 VanDerWaalsContact CA-CD1 3.42Å; K8-F198 HydrophobicContact CB-CD1 3.25Å; K8-F198 HydrophobicContact CB-CE1 3.13Å; K8-F198 HydrophobicContact CB-CZ 4.4Å; K8-F198 HydrophobicContact CG-CE1 4.39Å; K8-F198 PolarHBondContact N-O 3.09Å; K8-F198 VanDerWaalsContact O-CE1 3.24Å; K8-F198 WeakPolarHBondContact O-CE1 3.41Å; T9-F198 HydrophobicContact CG2-CB 3.3Å; T9-F198 HydrophobicContact CG2-CD1 3.99Å; T9-F198 HydrophobicContact CG2-CD2 4.27Å; T9-F198 HydrophobicContact CG2-CG 3.64Å
199E53.9Low51.3Low119 Ų119137 Ų13756%0.55672%0.723SS**BIsolated β-bridgetrans-56.9127.8-177.1-162.3163.3100.500115.7A5 K8 N201A5-E199 HydrophobicContact CB-CB 3.72Å; A5-E199 HydrophobicContact CB-CG 3.41Å; A5-E199 VanDerWaalsContact CB-CG 3.41Å; A5-E199 WeakPolarHBondContact CB-OE2 3.49Å; K8-E199 WeakPolarHBondContact CE-O 3.21Å; K8-E199 VanDerWaalsContact CG-O 3.3Å; K8-E199 WeakPolarHBondContact CG-O 2.81Å; E199-N201 PolarHBondContact O-N 2.98Å
200N53.8Low51.3Low74 Ų74138.4 Ų138.440%0.39672%0.718SS.*  trans-38.3100150.943.5-20.5000113.5A5 P6 K8A5-N200 VanDerWaalsContact C-OD1 3.27Å; P6-N200 WeakPolarHBondContact CA-OD1 3.36Å; P6-N200 HydrophobicContact CB-CB 4.45Å; P6-N200 WeakPolarHBondContact CB-ND2 3.25Å; P6-N200 WeakPolarHBondContact CB-OD1 3.28Å; P6-N200 VanDerWaalsContact CD-CG 3.46Å; P6-N200 VanDerWaalsContact CD-ND2 3.28Å; P6-N200 WeakPolarHBondContact CD-ND2 3.27Å; P6-N200 WeakPolarHBondContact CD-OD1 3.19Å; P6-N200 WeakPolarHBondContact CG-ND2 3.5Å; P6-N200 VanDerWaalsContact O-CA 3.32Å; P6-N200 WeakPolarHBondContact O-CA 3.15Å; P6-N200 WeakPolarHBondContact O-CB 2.85Å; P6-N200 PolarHBondContact O-N 3.43Å; P6-N200 PolarHBondContact O-OD1 3.31Å; K8-N200 HydrophobicContact CG-CB 4.28Å
201N49.4Very low51.3Low106 Ų106134.1 Ų134.157%0.56771%0.712SS**  trans-112.890159.4146.829.9000106.3K8 E199 T203K8-N201 HydrophobicContact CD-CB 4.37Å; K8-N201 VanDerWaalsContact CD-N 3.26Å; K8-N201 VanDerWaalsContact CD-O 3.24Å; K8-N201 WeakPolarHBondContact CD-O 3.4Å; K8-N201 VanDerWaalsContact CE-CA 3.46Å; K8-N201 VanDerWaalsContact CE-O 3.31Å; K8-N201 WeakPolarHBondContact CE-O 3.09Å; K8-N201 PolarHBondContact NZ-ND2 3.35Å; K8-N201 PolarHBondContact NZ-O 3.26Å; E199-N201 PolarHBondContact O-N 2.98Å; N201-T203 PolarHBondContact O-N 3.34Å
202E51.9Low50.9Low129 Ų129134.8 Ų134.860%0.60371%0.707SS**  trans-68.1108.7158.8-67.1-81.9104.700105.9K11K11-E202 IonicContact NZ-OE1 3.25Å; K11-E202 PolarHBondContact NZ-OE1 3.47Å
203T53.8Low50.5Low110 Ų110135.4 Ų135.468%0.67569%0.694SS**  44.784.1103.432.50000114.1N201N201-T203 PolarHBondContact O-N 3.34Å
204S47.8Very low50.2Low107 Ų107132.8 Ų132.875%0.74868%0.679SS**  trans-141.391.1152.354.80000108.6
205L42.5Very low50Low153 Ų153134.4 Ų134.480%0.80167%0.67SS**  trans-176.4133.4152.7-101.6159.8000107.2
206F44.7Very low49.6Very low280 Ų280128.6 Ų128.6100%1.22865%0.646SS**  trans86.30-169.7-46.3-66.5000115.1

Retrieved 206 of 206 residues in 65.9 ms (Link to these results)

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