A0A077Z3C5_TRITR Loading...

Rho GTPase-activating protein 7

AlphaFold DB , UniProt , Accession A0A077Z3C5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 511 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
1M85.4Confident92.9Very high87 Ų8720.2 Ų20.243%0.42913%0.125SC..  0127.60-174.4-179.2-68.100108.8S5 L6 H270 I271M1-S5 WeakPolarHBondContact CG-OG 3.31Å; M1-L6 HydrophobicContact CG-CD2 4.09Å; M1-L6 HydrophobicContact SD-CD2 3.4Å; M1-L6 WeakPolarHBondContact SD-CD2 3.35Å; M1-H270 VanDerWaalsContact C-CD2 3.47Å; M1-H270 WeakPolarHBondContact O-CA 2.84Å; M1-I271 HydrophobicContact CB-CD1 4.05Å; M1-I271 HydrophobicContact CB-CG1 3.87Å; M1-I271 HydrophobicContact CG-CD1 4.48Å; M1-I271 WeakPolarHBondContact O-CG1 3.32Å; M1-I271 PolarHBondContact O-N 2.71Å; M1-I271 HydrophobicContact SD-CD1 4.19Å
2A92.8Very high93Very high26 Ų2623.5 Ų23.522%0.21516%0.156CC..BIsolated β-bridgetrans-69.4149.5179.200000110.4A4 S5 H270A2-A4 PolarHBondContact O-N 3.47Å; A2-S5 PolarHBondContact O-N 2.87Å; A2-S5 PolarHBondContact O-OG 3.41Å; A2-H270 VanDerWaalsContact CA-CD2 3.44Å; A2-H270 WeakPolarHBondContact CA-CD2 3.08Å; A2-H270 PolarHBondContact N-CD2 3.36Å
3I94.8Very high93.1Very high14 Ų1423.1 Ų23.17%0.07215%0.152CC..G310 helixtrans-59-38174-65.7172.8000109.9S5 L6 M11 V177 L178 F269 I271 G474I3-S5 PolarHBondContact O-N 3.09Å; I3-S5 VanDerWaalsContact O-N 3.15Å; I3-L6 WeakPolarHBondContact O-CG 3.39Å; I3-L6 PolarHBondContact O-N 3.02Å; I3-M11 HydrophobicContact CG2-CE 3.63Å; I3-M11 HydrophobicContact CG2-SD 4.4Å; I3-V177 HydrophobicContact CD1-CG1 4.24Å; I3-L178 HydrophobicContact CD1-CD2 3.74Å; I3-L178 HydrophobicContact CD1-CG 3.97Å; I3-L178 HydrophobicContact CG1-CD2 3.74Å; I3-L178 HydrophobicContact CG1-CG 4.38Å; I3-L178 HydrophobicContact CG2-CD2 4.02Å; I3-F269 WeakPolarHBondContact CG1-O 3.44Å; I3-F269 PolarHBondContact N-O 3.05Å; I3-I271 HydrophobicContact CG1-CG2 4.17Å; I3-G474 WeakPolarHBondContact O-CA 3.13Å
4A93.5Very high93.3Very high25 Ų2521.4 Ų21.421%0.20714%0.141CC..G310 helixtrans-61.5-20.3-179.600000114.6A2 P404 V443 R473 G474A2-A4 PolarHBondContact O-N 3.47Å; A4-P404 HydrophobicContact CB-CG 3.41Å; A4-P404 VanDerWaalsContact CB-CG 3.41Å; A4-V443 HydrophobicContact CB-CG2 4.39Å; A4-R473 CarbonylContact O-C 3.57Å; A4-R473 WeakPolarHBondContact O-CB 3.17Å; A4-G474 VanDerWaalsContact O-CA 3.28Å; A4-G474 WeakPolarHBondContact O-CA 3.4Å; A4-G474 PolarHBondContact O-N 2.89Å; A4-G474 VanDerWaalsContact O-N 3.1Å
5S92.4Very high93.4Very high36 Ų3622.1 Ų22.125%0.25214%0.14SC..G310 helixtrans-93.1-5.9-179.470.10000113.9M1 A2 I3M1-S5 WeakPolarHBondContact CG-OG 3.31Å; A2-S5 PolarHBondContact O-N 2.87Å; A2-S5 PolarHBondContact O-OG 3.41Å; I3-S5 PolarHBondContact O-N 3.09Å; I3-S5 VanDerWaalsContact O-N 3.15Å
6L93.8Very high93.5Very high0 Ų029.7 Ų29.70%017%0.17CC..  trans-70.9136.1-176.5-59.5-179.8000111.8M1 I3 Q10 M11 A14 I271 I279 R473 G474M1-L6 HydrophobicContact CG-CD2 4.09Å; M1-L6 HydrophobicContact SD-CD2 3.4Å; M1-L6 WeakPolarHBondContact SD-CD2 3.35Å; I3-L6 WeakPolarHBondContact O-CG 3.39Å; I3-L6 PolarHBondContact O-N 3.02Å; L6-Q10 HydrophobicContact CB-CB 4.15Å; L6-Q10 HydrophobicContact CD2-CB 4.24Å; L6-M11 HydrophobicContact CB-CB 4.41Å; L6-M11 HydrophobicContact CB-CE 4.27Å; L6-M11 HydrophobicContact CD1-CE 4.13Å; L6-M11 HydrophobicContact CD1-SD 4.2Å; L6-A14 HydrophobicContact CD1-CB 4.17Å; L6-I271 HydrophobicContact CD1-CG2 3.75Å; L6-I271 HydrophobicContact CD2-CD1 4.02Å; L6-I271 HydrophobicContact CD2-CG2 4.47Å; L6-I279 HydrophobicContact CD2-CD1 4.04Å; L6-R473 CarbonylContact O-C 3.52Å; L6-R473 VanDerWaalsContact O-CA 3.28Å; L6-R473 WeakPolarHBondContact O-CA 3.35Å; L6-G474 PolarHBondContact O-N 3.06Å
7S93.4Very high93.6Very high5 Ų531.9 Ų31.94%0.03518%0.176CC..  trans-68165.5165.873.30000112P9 Q10 M11 D471S7-P9 WeakPolarHBondContact OG-CD 3.5Å; S7-Q10 PolarHBondContact O-N 3.12Å; S7-Q10 VanDerWaalsContact O-N 3.15Å; S7-Q10 WeakPolarHBondContact OG-CB 3.49Å; S7-Q10 WeakPolarHBondContact OG-CG 3.46Å; S7-Q10 PolarHBondContact OG-N 2.79Å; S7-Q10 PolarHBondContact OG-OE1 3.43Å; S7-M11 WeakPolarHBondContact O-CB 3.45Å; S7-M11 PolarHBondContact O-N 3.39Å; S7-D471 WeakPolarHBondContact CA-OD2 3.23Å; S7-D471 VanDerWaalsContact CB-OD2 3.24Å; S7-D471 WeakPolarHBondContact CB-OD2 3.46Å
8V94Very high93.7Very high2 Ų230.1 Ų30.11%0.01217%0.166CC..Hα-helixtrans-57.1-46177.4-179.50000113M11 A12 P345 L346 D471 K477 Y480V8-M11 PolarHBondContact O-N 2.69Å; V8-A12 PolarHBondContact O-N 3.18Å; V8-P345 HydrophobicContact CB-CG 4.13Å; V8-P345 HydrophobicContact CG1-CB 4.33Å; V8-P345 HydrophobicContact CG1-CG 3.65Å; V8-L346 HydrophobicContact CG1-CD2 4.44Å; V8-L346 HydrophobicContact CG2-CD1 4.16Å; V8-L346 HydrophobicContact CG2-CD2 4.08Å; V8-L346 HydrophobicContact CG2-CG 4.22Å; V8-D471 PolarHBondContact N-OD2 2.8Å; V8-K477 HydrophobicContact CG1-CB 3.91Å; V8-Y480 HydrophobicContact CG2-CD2 3.79Å; V8-Y480 HydrophobicContact CG2-CE2 3.29Å
9P93.2Very high93.8Very high15 Ų1529.6 Ų29.610%0.09716%0.163CC..Hα-helixtrans-61.4-42.1173-24.633.8000113.7S7 A12 V13 L284 Y344 P345S7-P9 WeakPolarHBondContact OG-CD 3.5Å; P9-A12 PolarHBondContact O-N 3.21Å; P9-V13 PolarHBondContact O-N 3.39Å; P9-V13 VanDerWaalsContact O-N 3.1Å; P9-L284 HydrophobicContact CB-CD1 4.15Å; P9-L284 HydrophobicContact CB-CD2 3.99Å; P9-L284 HydrophobicContact CB-CG 4.48Å; P9-Y344 WeakPolarHBondContact CD-OH 3.39Å; P9-Y344 HydrophobicContact CG-CD2 4.19Å; P9-Y344 HydrophobicContact CG-CE2 3.69Å; P9-P345 HydrophobicContact CG-CG 4Å
10Q93.9Very high93.8Very high9 Ų934.2 Ų34.24%0.04219%0.186CC..Hα-helixtrans-63.5-44.2178.9-69.9174.2-31.200111.2L6 S7 A12 V13 A14 I279 L284 N285L6-Q10 HydrophobicContact CB-CB 4.15Å; L6-Q10 HydrophobicContact CD2-CB 4.24Å; S7-Q10 PolarHBondContact O-N 3.12Å; S7-Q10 VanDerWaalsContact O-N 3.15Å; S7-Q10 WeakPolarHBondContact OG-CB 3.49Å; S7-Q10 WeakPolarHBondContact OG-CG 3.46Å; S7-Q10 PolarHBondContact OG-N 2.79Å; S7-Q10 PolarHBondContact OG-OE1 3.43Å; Q10-A12 VanDerWaalsContact C-N 3.32Å; Q10-A12 PolarHBondContact O-N 3.39Å; Q10-V13 PolarHBondContact O-N 3.22Å; Q10-A14 WeakPolarHBondContact O-CB 3.46Å; Q10-A14 PolarHBondContact O-N 2.92Å; Q10-I279 HydrophobicContact CB-CD1 4.09Å; Q10-I279 HydrophobicContact CB-CG1 4.29Å; Q10-I279 HydrophobicContact CB-CG2 4.28Å; Q10-I279 HydrophobicContact CG-CG2 3.62Å; Q10-L284 HydrophobicContact CG-CB 4.03Å; Q10-N285 PolarHBondContact NE2-OD1 3.2Å
11M94.7Very high93.8Very high3 Ų334.9 Ų34.92%0.01519%0.187CC..Hα-helixtrans-58.9-42.2174.6-176.76774.800111.5I3 L6 S7 V8 V13 A14 R15 L178 G474I3-M11 HydrophobicContact CG2-CE 3.63Å; I3-M11 HydrophobicContact CG2-SD 4.4Å; L6-M11 HydrophobicContact CB-CB 4.41Å; L6-M11 HydrophobicContact CB-CE 4.27Å; L6-M11 HydrophobicContact CD1-CE 4.13Å; L6-M11 HydrophobicContact CD1-SD 4.2Å; S7-M11 WeakPolarHBondContact O-CB 3.45Å; S7-M11 PolarHBondContact O-N 3.39Å; V8-M11 PolarHBondContact O-N 2.69Å; M11-V13 PolarHBondContact O-N 3.23Å; M11-A14 PolarHBondContact O-N 2.77Å; M11-R15 WeakPolarHBondContact O-CB 3.37Å; M11-R15 WeakPolarHBondContact O-CG 3.42Å; M11-R15 PolarHBondContact O-N 2.99Å; M11-R15 HydrophobicContact SD-CG 4.33Å; M11-L178 HydrophobicContact SD-CD2 4.24Å; M11-G474 VanDerWaalsContact CE-C 3.48Å; M11-G474 WeakPolarHBondContact CE-O 3.15Å
12A94.2Very high94.3Very high60 Ų6030.8 Ų30.850%0.49617%0.166SC..Hα-helixtrans-62.7-41.4177.700000112.3V8 P9 Q10 K16V8-A12 PolarHBondContact O-N 3.18Å; P9-A12 PolarHBondContact O-N 3.21Å; Q10-A12 VanDerWaalsContact C-N 3.32Å; Q10-A12 PolarHBondContact O-N 3.39Å; A12-K16 WeakPolarHBondContact O-CB 3.31Å; A12-K16 PolarHBondContact O-N 2.9Å; A12-K16 VanDerWaalsContact O-N 3.07Å
13V94Very high94.2Very high18 Ų1830.2 Ų30.211%0.10916%0.161CC..Hα-helixtrans-67.2-45.7175.1172.60000111.3P9 Q10 M11 R15 K16 Y17 C278 I279 K282 L284P9-V13 PolarHBondContact O-N 3.39Å; P9-V13 VanDerWaalsContact O-N 3.1Å; Q10-V13 PolarHBondContact O-N 3.22Å; M11-V13 PolarHBondContact O-N 3.23Å; V13-R15 PolarHBondContact O-N 2.87Å; V13-K16 PolarHBondContact O-N 3.08Å; V13-Y17 WeakPolarHBondContact O-CB 3.4Å; V13-Y17 PolarHBondContact O-N 3.06Å; V13-C278 HydrophobicContact CG1-CB 4.32Å; V13-I279 HydrophobicContact CB-CG1 4.43Å; V13-I279 HydrophobicContact CG1-CG1 4.23Å; V13-K282 HydrophobicContact CG1-CD 4.11Å; V13-K282 HydrophobicContact CG2-CD 3.68Å; V13-L284 HydrophobicContact CB-CD1 4.29Å; V13-L284 HydrophobicContact CG2-CD1 3.41Å; V13-L284 VanDerWaalsContact CG2-CD1 3.41Å
14A95.5Very high94.1Very high0 Ų031.6 Ų31.60%017%0.171CC..Hα-helixtrans-57.7-47.6178.700000111.7L6 Q10 M11 Y17 A18 L178 V275 I279L6-A14 HydrophobicContact CD1-CB 4.17Å; Q10-A14 WeakPolarHBondContact O-CB 3.46Å; Q10-A14 PolarHBondContact O-N 2.92Å; M11-A14 PolarHBondContact O-N 2.77Å; A14-Y17 PolarHBondContact O-N 3.32Å; A14-A18 VanDerWaalsContact O-CB 3.24Å; A14-A18 WeakPolarHBondContact O-CB 3.49Å; A14-A18 PolarHBondContact O-N 2.79Å; A14-L178 HydrophobicContact CB-CD1 4.24Å; A14-L178 HydrophobicContact CB-CD2 4.3Å; A14-V275 HydrophobicContact CB-CG1 3.59Å; A14-I279 HydrophobicContact CB-CD1 4.39Å
15R95.8Very high94.1Very high31 Ų3131.5 Ų31.512%0.11717%0.169CC..Hα-helixtrans-63.9-44176.9-73.9-170.7172175.29.4112.5M11 V13 Y17 A18 L19 L178 L179 L180 D182 S476M11-R15 WeakPolarHBondContact O-CB 3.37Å; M11-R15 WeakPolarHBondContact O-CG 3.42Å; M11-R15 PolarHBondContact O-N 2.99Å; M11-R15 HydrophobicContact SD-CG 4.33Å; V13-R15 PolarHBondContact O-N 2.87Å; R15-Y17 VanDerWaalsContact C-N 3.33Å; R15-Y17 PolarHBondContact O-N 3.33Å; R15-A18 PolarHBondContact O-N 3.13Å; R15-L19 WeakPolarHBondContact O-CB 3.35Å; R15-L19 PolarHBondContact O-N 3.47Å; R15-L178 WeakPolarHBondContact CD-O 3.41Å; R15-L178 VanDerWaalsContact CG-O 3.3Å; R15-L178 WeakPolarHBondContact CG-O 3.44Å; R15-L178 PolarHBondContact NE-O 3.02Å; R15-L179 HydrophobicContact CB-CD2 4.13Å; R15-L179 HydrophobicContact CG-CD2 4.4Å; R15-L179 WeakPolarHBondContact O-CD2 3.3Å; R15-L180 PolarHBondContact NH2-O 3.39Å; R15-D182 IonicContact CZ-OD2 3.49Å; R15-D182 IonicContact NH1-OD2 3.33Å; R15-D182 PolarHBondContact NH1-OD2 2.97Å; R15-D182 VanDerWaalsContact NH2-CG 3.26Å; R15-D182 IonicContact NH2-OD1 2.98Å; R15-D182 PolarHBondContact NH2-OD1 3.25Å; R15-D182 VanDerWaalsContact NH2-OD1 3.16Å; R15-D182 IonicContact NH2-OD2 2.65Å; R15-D182 PolarHBondContact NH2-OD2 3.12Å; R15-S476 VanDerWaalsContact CZ-CB 3.5Å; R15-S476 PolarHBondContact NH1-OG 2.84Å; R15-S476 VanDerWaalsContact NH1-OG 3.17Å
16K94.7Very high94Very high144 Ų14429.8 Ų29.863%0.62616%0.157SC*.Hα-helixtrans-62-42.4177.8-174.6173.3179.9175.90111.7A12 V13 L20A12-K16 WeakPolarHBondContact O-CB 3.31Å; A12-K16 PolarHBondContact O-N 2.9Å; A12-K16 VanDerWaalsContact O-N 3.07Å; V13-K16 PolarHBondContact O-N 3.08Å; K16-L20 PolarHBondContact O-N 2.98Å
17Y95.1Very high93.7Very high67 Ų6736.7 Ų36.726%0.26319%0.19SC..Hα-helixtrans-66.4-46.8176.9-174.4-84.6000111.8V13 A14 R15 L19 L20 Y21 D274 V275 C278V13-Y17 WeakPolarHBondContact O-CB 3.4Å; V13-Y17 PolarHBondContact O-N 3.06Å; A14-Y17 PolarHBondContact O-N 3.32Å; R15-Y17 VanDerWaalsContact C-N 3.33Å; R15-Y17 PolarHBondContact O-N 3.33Å; Y17-L19 VanDerWaalsContact C-N 3.31Å; Y17-L19 PolarHBondContact O-N 3.31Å; Y17-L20 PolarHBondContact O-N 3.31Å; Y17-L20 VanDerWaalsContact O-N 3.16Å; Y17-Y21 WeakPolarHBondContact O-CB 3.28Å; Y17-Y21 PolarHBondContact O-N 3.35Å; Y17-D274 HydrophobicContact CE1-CB 4.36Å; Y17-D274 WeakPolarHBondContact CE1-OD2 3.31Å; Y17-D274 PolarHBondContact OH-OD2 3.41Å; Y17-V275 HydrophobicContact CD1-CG2 3.56Å; Y17-V275 HydrophobicContact CE1-CG2 4.05Å; Y17-V275 HydrophobicContact CG-CG2 4.38Å; Y17-C278 HydrophobicContact CD2-CB 4.32Å; Y17-C278 WeakPolarHBondContact CD2-SG 3.31Å; Y17-C278 WeakPolarHBondContact CE2-SG 3.47Å
18A95.8Very high93.5Very high0 Ų046.3 Ų46.30%023%0.225CC..Hα-helixtrans-55.7-45.6177.900000112A14 R15 Y21 L22 K175 L178 L179A14-A18 VanDerWaalsContact O-CB 3.24Å; A14-A18 WeakPolarHBondContact O-CB 3.49Å; A14-A18 PolarHBondContact O-N 2.79Å; R15-A18 PolarHBondContact O-N 3.13Å; A18-Y21 PolarHBondContact O-N 3.29Å; A18-L22 WeakPolarHBondContact O-CB 3.4Å; A18-L22 WeakPolarHBondContact O-CG 3.45Å; A18-L22 PolarHBondContact O-N 3.31Å; A18-K175 HydrophobicContact CB-CB 3.73Å; A18-K175 HydrophobicContact CB-CG 3.99Å; A18-L178 HydrophobicContact CB-CB 4.32Å; A18-L178 HydrophobicContact CB-CD1 4.23Å; A18-L179 HydrophobicContact CB-CD2 4.23Å; A18-L179 HydrophobicContact CB-CG 4.27Å
19L94.7Very high93.2Very high20 Ų2048.5 Ų48.511%0.10524%0.24CC..Hα-helixtrans-59.1-48.3175.3167.563.2000112.2R15 Y17 L22 S23 V42 F46 L179R15-L19 WeakPolarHBondContact O-CB 3.35Å; R15-L19 PolarHBondContact O-N 3.47Å; Y17-L19 VanDerWaalsContact C-N 3.31Å; Y17-L19 PolarHBondContact O-N 3.31Å; L19-L22 PolarHBondContact O-N 3.05Å; L19-S23 WeakPolarHBondContact O-CB 3.12Å; L19-S23 PolarHBondContact O-N 3.2Å; L19-S23 PolarHBondContact O-OG 2.98Å; L19-V42 HydrophobicContact CD1-CB 3.66Å; L19-V42 HydrophobicContact CD1-CG1 3.21Å; L19-V42 WeakPolarHBondContact CD1-O 3.33Å; L19-V42 HydrophobicContact CG-CG1 4.45Å; L19-F46 HydrophobicContact CD2-CD2 4.14Å; L19-F46 HydrophobicContact CD2-CE2 3.33Å; L19-F46 HydrophobicContact CD2-CZ 4.04Å; L19-L179 HydrophobicContact CB-CD1 4.35Å; L19-L179 HydrophobicContact CB-CD2 4.2Å
20L94.5Very high92.7Very high121 Ų12149.1 Ų49.163%0.63424%0.242SC*.Hα-helixtrans-62.8-46.6-179.4-17965.6000111.3K16 Y17 S23 C24K16-L20 PolarHBondContact O-N 2.98Å; Y17-L20 PolarHBondContact O-N 3.31Å; Y17-L20 VanDerWaalsContact O-N 3.16Å; L20-S23 PolarHBondContact O-N 2.8Å; L20-C24 WeakPolarHBondContact O-CB 3.32Å; L20-C24 PolarHBondContact O-N 3.01Å
21Y94.3Very high91.8Very high50 Ų5052.6 Ų52.620%0.19627%0.266CS..Hα-helixtrans-59.8-48.3178.8175-83.7000111.8Y17 A18 C24 S25 D171 A172 K175Y17-Y21 WeakPolarHBondContact O-CB 3.28Å; Y17-Y21 PolarHBondContact O-N 3.35Å; A18-Y21 PolarHBondContact O-N 3.29Å; Y21-C24 PolarHBondContact O-N 2.76Å; Y21-S25 WeakPolarHBondContact CE1-OG 3.49Å; Y21-S25 VanDerWaalsContact O-CB 3.26Å; Y21-S25 WeakPolarHBondContact O-CB 3.25Å; Y21-S25 PolarHBondContact O-N 2.83Å; Y21-S25 PolarHBondContact O-OG 3.23Å; Y21-D171 PolarHBondContact OH-OD2 2.86Å; Y21-A172 HydrophobicContact CE1-CB 4.33Å; Y21-K175 HydrophobicContact CD1-CD 3.2Å; Y21-K175 HydrophobicContact CD2-CD 4.22Å; Y21-K175 HydrophobicContact CE1-CD 3.76Å; Y21-K175 HydrophobicContact CG-CD 3.48Å; Y21-K175 VanDerWaalsContact CG-CD 3.48Å; Y21-K175 VanDerWaalsContact CG-CE 3.48Å
22L94.5Very high90.1Very high0 Ų061.2 Ų61.20%031%0.311CS..Hα-helixtrans-66-42.7-177.5-75.8173000111.6A18 L19 C24 S25 L26 T156 I160 A172 K175 A176 L179A18-L22 WeakPolarHBondContact O-CB 3.4Å; A18-L22 WeakPolarHBondContact O-CG 3.45Å; A18-L22 PolarHBondContact O-N 3.31Å; L19-L22 PolarHBondContact O-N 3.05Å; L22-C24 PolarHBondContact O-N 2.65Å; L22-S25 PolarHBondContact O-N 2.82Å; L22-L26 VanDerWaalsContact O-CB 3.27Å; L22-L26 WeakPolarHBondContact O-CB 3.39Å; L22-L26 VanDerWaalsContact O-CG 3.29Å; L22-L26 WeakPolarHBondContact O-CG 3.27Å; L22-L26 PolarHBondContact O-N 3.28Å; L22-T156 HydrophobicContact CD1-CG2 4.25Å; L22-I160 HydrophobicContact CD2-CD1 3.89Å; L22-I160 HydrophobicContact CD2-CG1 4.28Å; L22-A172 HydrophobicContact CD2-CB 3.85Å; L22-K175 HydrophobicContact CD1-CB 4.05Å; L22-K175 HydrophobicContact CD2-CB 4.44Å; L22-K175 HydrophobicContact CG-CB 4.09Å; L22-A176 HydrophobicContact CD1-CB 4.01Å; L22-L179 HydrophobicContact CD1-CD1 3.76Å
23S91.7Very high88.2Confident15 Ų1563 Ų6311%0.10532%0.315CS..Hα-helixtrans-58.1-51.4176.8-54.20000110.3L19 L20 E27L19-S23 WeakPolarHBondContact O-CB 3.12Å; L19-S23 PolarHBondContact O-N 3.2Å; L19-S23 PolarHBondContact O-OG 2.98Å; L20-S23 PolarHBondContact O-N 2.8Å; S23-E27 WeakPolarHBondContact O-CB 3.46Å; S23-E27 PolarHBondContact O-N 3.48Å
24C92.8Very high85.6Confident42 Ų4270 Ų7028%0.28434%0.344SS..Hα-helixtrans-65.1-43.2-179.6-177.20000113L20 Y21 L22 R28L20-C24 WeakPolarHBondContact O-CB 3.32Å; L20-C24 PolarHBondContact O-N 3.01Å; Y21-C24 PolarHBondContact O-N 2.76Å; L22-C24 PolarHBondContact O-N 2.65Å; C24-R28 WeakPolarHBondContact O-CB 3.42Å; C24-R28 VanDerWaalsContact O-CG 3.24Å; C24-R28 WeakPolarHBondContact O-CG 3.28Å; C24-R28 PolarHBondContact O-N 2.99Å; C24-R28 VanDerWaalsContact O-N 3.11Å; C24-R28 PolarHBondContact SG-NE 3.29Å; C24-R28 VanDerWaalsContact SG-NE 3.37Å
25S92.3Very high83.2Confident24 Ų2476.1 Ų76.117%0.16838%0.384CS..Hα-helixtrans-69.5-41.6-176.7-58.20000112Y21 L22 S29 L164Y21-S25 WeakPolarHBondContact CE1-OG 3.49Å; Y21-S25 VanDerWaalsContact O-CB 3.26Å; Y21-S25 WeakPolarHBondContact O-CB 3.25Å; Y21-S25 PolarHBondContact O-N 2.83Å; Y21-S25 PolarHBondContact O-OG 3.23Å; L22-S25 PolarHBondContact O-N 2.82Å; S25-S29 WeakPolarHBondContact O-CB 3.47Å; S25-S29 PolarHBondContact O-N 3.5Å; S25-S29 PolarHBondContact O-OG 3.27Å; S25-L164 WeakPolarHBondContact O-CD2 3.03Å
26L91.2Very high80.7Confident0 Ų079.9 Ų79.90%042%0.415CS..Hα-helixtrans-71.3-44.1177.8-68.4174.1000110.9L22 R28 S29 M30 F40 T156 I160 L164L22-L26 VanDerWaalsContact O-CB 3.27Å; L22-L26 WeakPolarHBondContact O-CB 3.39Å; L22-L26 VanDerWaalsContact O-CG 3.29Å; L22-L26 WeakPolarHBondContact O-CG 3.27Å; L22-L26 PolarHBondContact O-N 3.28Å; L26-R28 VanDerWaalsContact C-N 3.27Å; L26-R28 PolarHBondContact O-N 3.28Å; L26-S29 PolarHBondContact O-N 3.2Å; L26-S29 VanDerWaalsContact O-N 3.1Å; L26-M30 HydrophobicContact CB-SD 4.25Å; L26-M30 WeakPolarHBondContact O-CB 3.47Å; L26-M30 WeakPolarHBondContact O-CG 3.45Å; L26-M30 PolarHBondContact O-N 3.39Å; L26-F40 HydrophobicContact CB-CE1 3.71Å; L26-F40 HydrophobicContact CB-CZ 3.67Å; L26-F40 HydrophobicContact CD1-CD1 4.44Å; L26-F40 HydrophobicContact CD1-CE1 3.71Å; L26-F40 HydrophobicContact CG-CE1 4.36Å; L26-T156 HydrophobicContact CD1-CG2 4.09Å; L26-I160 HydrophobicContact CD2-CG1 4.29Å; L26-L164 HydrophobicContact CD2-CD1 4.17Å; L26-L164 HydrophobicContact CD2-CD2 4.04Å; L26-L164 HydrophobicContact CD2-CG 3.94Å
27E88.4Confident78.2Confident145 Ų14576.9 Ų76.968%0.67842%0.417SS*.Hα-helixtrans-57-39.7176.6-175.7176.3-167.700112.5S23S23-E27 WeakPolarHBondContact O-CB 3.46Å; S23-E27 PolarHBondContact O-N 3.48Å
28R88.7Confident76Confident207 Ų20777.2 Ų77.278%0.78142%0.42SS*.Hα-helixtrans-72.2-26.9177.6-73.1174.7-177.6-1731.3114.6C24 L26C24-R28 WeakPolarHBondContact O-CB 3.42Å; C24-R28 VanDerWaalsContact O-CG 3.24Å; C24-R28 WeakPolarHBondContact O-CG 3.28Å; C24-R28 PolarHBondContact O-N 2.99Å; C24-R28 VanDerWaalsContact O-N 3.11Å; C24-R28 PolarHBondContact SG-NE 3.29Å; C24-R28 VanDerWaalsContact SG-NE 3.37Å; L26-R28 VanDerWaalsContact C-N 3.27Å; L26-R28 PolarHBondContact O-N 3.28Å
29S87.6Confident73.8Confident47 Ų4782.7 Ų82.733%0.32945%0.449SS..Hα-helixtrans-103.2-19.3-170.9-47.70000113S25 L26 F163 L164S25-S29 WeakPolarHBondContact O-CB 3.47Å; S25-S29 PolarHBondContact O-N 3.5Å; S25-S29 PolarHBondContact O-OG 3.27Å; L26-S29 PolarHBondContact O-N 3.2Å; L26-S29 VanDerWaalsContact O-N 3.1Å; S29-F163 WeakPolarHBondContact CB-O 3.47Å; S29-L164 WeakPolarHBondContact OG-CD2 3.33Å
30M81.9Confident71.8Confident29 Ų2982.8 Ų82.814%0.14345%0.449CS..SBendtrans-76.7140.1178.3-73.3-179.97400110.9L26 L32 F38 F40 Y159 F163L26-M30 HydrophobicContact CB-SD 4.25Å; L26-M30 WeakPolarHBondContact O-CB 3.47Å; L26-M30 WeakPolarHBondContact O-CG 3.45Å; L26-M30 PolarHBondContact O-N 3.39Å; M30-L32 PolarHBondContact O-N 3.43Å; M30-F38 HydrophobicContact CE-CD1 4.02Å; M30-F38 HydrophobicContact CE-CE1 3.43Å; M30-F38 VanDerWaalsContact CE-CE1 3.43Å; M30-F38 HydrophobicContact CE-CZ 3.81Å; M30-F40 HydrophobicContact SD-CE1 4.49Å; M30-F40 HydrophobicContact SD-CZ 4.42Å; M30-Y159 HydrophobicContact CE-CD1 4.49Å; M30-Y159 HydrophobicContact CE-CD2 3.8Å; M30-Y159 HydrophobicContact CE-CE1 4.41Å; M30-Y159 HydrophobicContact CE-CE2 3.74Å; M30-Y159 HydrophobicContact CE-CG 4.2Å; M30-Y159 HydrophobicContact SD-CD2 3.89Å; M30-Y159 HydrophobicContact SD-CE2 4.36Å; M30-Y159 HydrophobicContact SD-CG 4.31Å; M30-F163 HydrophobicContact CE-CD2 4.28Å; M30-F163 HydrophobicContact CE-CE2 3.87Å; M30-F163 HydrophobicContact CG-CB 4.19Å; M30-F163 HydrophobicContact CG-CD2 3.55Å; M30-F163 HydrophobicContact CG-CE2 4.01Å; M30-F163 HydrophobicContact CG-CG 3.85Å; M30-F163 HydrophobicContact SD-CD2 4.25Å; M30-F163 HydrophobicContact SD-CE2 4.44Å
31P74.8Confident69.7Low82 Ų8277.2 Ų77.253%0.53242%0.421SS..  trans-58.1137.1169.9-18.129.2000110V33 F163P31-V33 VanDerWaalsContact C-N 3.3Å; P31-V33 PolarHBondContact O-N 3.11Å; P31-F163 HydrophobicContact CG-CE1 4.24Å
32L60.4Low67.7Low184 Ų18474.9 Ų74.996%0.96341%0.412SS*.  trans-57.887.8175.1-78.2153.8000110.7M30M30-L32 PolarHBondContact O-N 3.43Å
33V53.2Low65.6Low96 Ų9680.5 Ų80.558%0.58244%0.438SS*.  trans-109.4111.4168-176.90000107P31 F38P31-V33 VanDerWaalsContact C-N 3.3Å; P31-V33 PolarHBondContact O-N 3.11Å; V33-F38 HydrophobicContact CB-CE2 4.25Å
34K40.9Very low63.7Low166 Ų16684.4 Ų84.472%0.72245%0.454SS*.  trans15.1113.6178.4-73.5-175.3177.9178.70116.4S36 A37K34-S36 PolarHBondContact O-N 2.99Å; K34-A37 PolarHBondContact O-N 2.92Å
35P43.6Very low61.7Low128 Ų12886 Ų8683%0.83146%0.457SS*.THydrogen-bonded Turntrans-54.3-24.9-172.7-25.631.7000116.6
36S43.6Very low59.5Low111 Ų11192.1 Ų92.178%0.77648%0.48SS*.THydrogen-bonded Turntrans-82.4-11.9-168.344.30000115.6K34K34-S36 PolarHBondContact O-N 2.99Å
37A43.1Very low57.2Low81 Ų81100 Ų10067%0.66952%0.515SS*.SBendtrans-96.4-21.4-178.100000114K34 N39K34-A37 PolarHBondContact O-N 2.92Å; A37-N39 VanDerWaalsContact C-N 3.31Å; A37-N39 PolarHBondContact O-N 3.38Å; A37-N39 VanDerWaalsContact O-N 3.09Å
38F48.1Very low54.9Low73 Ų73105 Ų10532%0.3253%0.527SS..  trans-90.961-173-79.7-82.8000112.4M30 V33 F40 Y159M30-F38 HydrophobicContact CE-CD1 4.02Å; M30-F38 HydrophobicContact CE-CE1 3.43Å; M30-F38 VanDerWaalsContact CE-CE1 3.43Å; M30-F38 HydrophobicContact CE-CZ 3.81Å; V33-F38 HydrophobicContact CB-CE2 4.25Å; F38-F40 PolarHBondContact O-N 3.25Å; F38-Y159 HydrophobicContact CD1-CE2 4.28Å; F38-Y159 AromaticContact CE1-CE2 3.77Å; F38-Y159 HydrophobicContact CE1-CE2 3.77Å; F38-Y159 AromaticContact CE1-CZ 3.86Å
39N48.9Very low52.6Low115 Ų115102 Ų10262%0.61552%0.52SS*.  trans-68.789156.1-82.9-39.5000107.1A37 G41A37-N39 VanDerWaalsContact C-N 3.31Å; A37-N39 PolarHBondContact O-N 3.38Å; A37-N39 VanDerWaalsContact O-N 3.09Å; N39-G41 PolarHBondContact O-N 2.92Å
40F52.7Low50Low22 Ų22109.8 Ų109.810%0.09655%0.548CS..  trans-38.7129.2173-85.6-74.2000109.5L26 M30 F38 V42 Q43 Q44L26-F40 HydrophobicContact CB-CE1 3.71Å; L26-F40 HydrophobicContact CB-CZ 3.67Å; L26-F40 HydrophobicContact CD1-CD1 4.44Å; L26-F40 HydrophobicContact CD1-CE1 3.71Å; L26-F40 HydrophobicContact CG-CE1 4.36Å; M30-F40 HydrophobicContact SD-CE1 4.49Å; M30-F40 HydrophobicContact SD-CZ 4.42Å; F38-F40 PolarHBondContact O-N 3.25Å; F40-V42 HydrophobicContact CB-CB 4.15Å; F40-V42 HydrophobicContact CB-CG2 3.99Å; F40-V42 HydrophobicContact CD1-CG2 4.1Å; F40-V42 HydrophobicContact CG-CG2 4.39Å; F40-V42 PolarHBondContact O-N 3.45Å; F40-Q43 HydrophobicContact CB-CB 4.47Å; F40-Q43 HydrophobicContact CB-CG 4.08Å; F40-Q43 WeakPolarHBondContact O-CB 3.35Å; F40-Q43 PolarHBondContact O-N 2.91Å; F40-Q44 PolarHBondContact O-N 3.5Å
41G51Low47.9Very low4 Ų4111.7 Ų111.74%0.04156%0.564CS.*THydrogen-bonded Turntrans-50.3-25.8168.600000111.8N39 Q44N39-G41 PolarHBondContact O-N 2.92Å; G41-Q44 PolarHBondContact O-N 3.5Å
42V51.7Low46Very low1 Ų1113.2 Ų113.21%0.00657%0.574CS.*THydrogen-bonded Turntrans-66-33.3173.5-139.20000114.1L19 F40 F45 T156 L179L19-V42 HydrophobicContact CD1-CB 3.66Å; L19-V42 HydrophobicContact CD1-CG1 3.21Å; L19-V42 WeakPolarHBondContact CD1-O 3.33Å; L19-V42 HydrophobicContact CG-CG1 4.45Å; F40-V42 HydrophobicContact CB-CB 4.15Å; F40-V42 HydrophobicContact CB-CG2 3.99Å; F40-V42 HydrophobicContact CD1-CG2 4.1Å; F40-V42 HydrophobicContact CG-CG2 4.39Å; F40-V42 PolarHBondContact O-N 3.45Å; V42-F45 WeakPolarHBondContact O-CB 3.5Å; V42-F45 PolarHBondContact O-N 3.45Å; V42-T156 HydrophobicContact CG2-CG2 4.16Å; V42-T156 WeakPolarHBondContact CG2-OG1 3.24Å; V42-L179 HydrophobicContact CG1-CD1 3.34Å
43Q51.3Low44.9Very low118 Ų118112.8 Ų112.855%0.55157%0.567SS**G310 helixtrans-72-34.7173.5-72.9-92.5-11.100111.5F40 F45 F46F40-Q43 HydrophobicContact CB-CB 4.47Å; F40-Q43 HydrophobicContact CB-CG 4.08Å; F40-Q43 WeakPolarHBondContact O-CB 3.35Å; F40-Q43 PolarHBondContact O-N 2.91Å; Q43-F45 PolarHBondContact O-N 2.98Å; Q43-F45 VanDerWaalsContact O-N 3.09Å; Q43-F46 PolarHBondContact O-N 2.94Å
44Q52.6Low44.5Very low97 Ų97111.2 Ų111.245%0.45356%0.559SS.*G310 helixtrans-64.4-13.6176.4-59.2-171.94.800112.7F40 G41 F46 K47F40-Q44 PolarHBondContact O-N 3.5Å; G41-Q44 PolarHBondContact O-N 3.5Å; Q44-F46 PolarHBondContact O-N 3.23Å; Q44-K47 WeakPolarHBondContact O-CB 3.43Å; Q44-K47 PolarHBondContact O-N 3.45Å
45F49.8Very low44.4Very low75 Ų75109.2 Ų109.233%0.32956%0.561SS.*G310 helixtrans-57.5-29.9177.9-155.2-99.7000113.8V42 Q43 L179V42-F45 WeakPolarHBondContact O-CB 3.5Å; V42-F45 PolarHBondContact O-N 3.45Å; Q43-F45 PolarHBondContact O-N 2.98Å; Q43-F45 VanDerWaalsContact O-N 3.09Å; F45-L179 WeakPolarHBondContact CE2-O 3.28Å; F45-L179 WeakPolarHBondContact CZ-O 2.93Å
46F46.8Very low44.6Very low153 Ų153108.2 Ų108.267%0.67155%0.545SS*.G310 helixtrans-86-12.9176-74.2-66000114.3L19 Q43 Q44 R48L19-F46 HydrophobicContact CD2-CD2 4.14Å; L19-F46 HydrophobicContact CD2-CE2 3.33Å; L19-F46 HydrophobicContact CD2-CZ 4.04Å; Q43-F46 PolarHBondContact O-N 2.94Å; Q44-F46 PolarHBondContact O-N 3.23Å; F46-R48 PolarHBondContact O-N 3.44Å
47K42.5Very low44.7Very low165 Ų165105.2 Ų105.272%0.71752%0.523SS*.SBendtrans-74.2113.7172.9-72.5-171.4176.5-1780107.4Q44 K49Q44-K47 WeakPolarHBondContact O-CB 3.43Å; Q44-K47 PolarHBondContact O-N 3.45Å; K47-K49 VanDerWaalsContact C-N 3.34Å; K47-K49 PolarHBondContact O-N 3.17Å
48R39Very low44.8Very low250 Ų250105.2 Ų105.294%0.94352%0.523SS*.  trans-51.697.9172.2-71.2179.7179.4172.30.5108.5F46 K50F46-R48 PolarHBondContact O-N 3.44Å; R48-K50 PolarHBondContact O-N 3.1Å; R48-K50 VanDerWaalsContact O-N 3.15Å
49K40.5Very low44.8Very low146 Ų146111.5 Ų111.564%0.63555%0.553SS**  trans-67.7112.5161.2-79.2-172.9177.3-179.40105.2K47 S51K47-K49 VanDerWaalsContact C-N 3.34Å; K47-K49 PolarHBondContact O-N 3.17Å; K49-S51 PolarHBondContact O-N 2.67Å
50K32.9Very low45.1Very low210 Ų210109.6 Ų109.691%0.91356%0.561SS**  trans-68.186.2165.8-148.8-178-172.9-171.90104.7R48R48-K50 PolarHBondContact O-N 3.1Å; R48-K50 VanDerWaalsContact O-N 3.15Å
51S38.4Very low45.6Very low68 Ų68113.2 Ų113.248%0.47658%0.578SS.*  trans-57.1129.8167.647.80000106.3K49 E53K49-S51 PolarHBondContact O-N 2.67Å; S51-E53 PolarHBondContact O-N 2.88Å
52P35.8Very low47.1Very low114 Ų114117.6 Ų117.674%0.7460%0.6SS**  trans-52.8132.2176.622.2-30.9000107.6P54P52-P54 WeakPolarHBondContact O-CD 3.27Å; P52-P54 WeakPolarHBondContact O-CG 3.23Å
53E37.6Very low48.9Very low175 Ų175117.8 Ų117.882%0.81860%0.601SS**  trans-58.9105.9-179.1-166.4166-145.700107.3S51 T55S51-E53 PolarHBondContact O-N 2.88Å; E53-T55 VanDerWaalsContact C-N 3.3Å; E53-T55 PolarHBondContact O-N 3.16Å
54P43.1Very low50.9Low64 Ų64112.5 Ų112.542%0.41658%0.576SS.*  trans-76.898.5-179.5-624.8000105.1P52 K73P52-P54 WeakPolarHBondContact O-CD 3.27Å; P52-P54 WeakPolarHBondContact O-CG 3.23Å; P54-K73 PolarHBondContact O-NZ 2.89Å
55T40.1Very low52.8Low123 Ų123109.6 Ų109.676%0.75557%0.572SS**  trans-48.1145.7157.9-23.80000107.4E53 P57E53-T55 VanDerWaalsContact C-N 3.3Å; E53-T55 PolarHBondContact O-N 3.16Å; T55-P57 WeakPolarHBondContact O-CD 3.47Å
56Q46.6Very low54.8Low107 Ų107106.4 Ų106.450%0.556%0.559SS.*  trans-45.7122.7174.1-66.1175.924.300108.2A58 S329 Y330Q56-A58 PolarHBondContact O-N 3.38Å; Q56-S329 PolarHBondContact NE2-O 3.5Å; Q56-Y330 HydrophobicContact CG-CD1 4.34Å
57P46.2Very low57.1Low49 Ų49102.2 Ų102.232%0.31855%0.547SS..PPolyproline II helixtrans-65.3135.9178.823.9-28.8000108.4T55 E61 C74T55-P57 WeakPolarHBondContact O-CD 3.47Å; P57-E61 HydrophobicContact CB-CB 4Å; P57-E61 WeakPolarHBondContact CB-OE2 3.33Å; P57-C74 VanDerWaalsContact CD-SG 3.54Å; P57-C74 WeakPolarHBondContact CG-SG 3.36Å
58A46Very low59.6Low80 Ų8094.8 Ų94.866%0.66152%0.515SS*.PPolyproline II helixtrans-56.4145.9175.100000109.1Q56 G60 E61Q56-A58 PolarHBondContact O-N 3.38Å; A58-G60 PolarHBondContact O-N 2.91Å; A58-E61 PolarHBondContact O-N 2.79Å
59E47.7Very low62Low205 Ų20585.2 Ų85.296%0.95849%0.489SS*.THydrogen-bonded Turntrans-46.2118169-67.4177.2161.900109
60G54.6Low64.4Low76 Ų7678.9 Ų78.978%0.78446%0.464SS*.THydrogen-bonded Turntrans112.27.6-179.900000117.3A58A58-G60 PolarHBondContact O-N 2.91Å
61E64.7Low67.2Low97 Ų9769 Ų6945%0.45342%0.422SS..  trans-71.6133.5172.9-159.5177.5-139.500112.2P57 A58P57-E61 HydrophobicContact CB-CB 4Å; P57-E61 WeakPolarHBondContact CB-OE2 3.33Å; A58-E61 PolarHBondContact O-N 2.79Å
62L82.1Confident69.6Low97 Ų9766.3 Ų66.351%0.50840%0.403SS..  trans-65.5149.5-176.5-57.7171.6000111.7T66 D118L62-T66 PolarHBondContact O-OG1 2.85Å; L62-D118 HydrophobicContact CD2-CB 3.7Å
63I88.7Confident72Confident4 Ų462.3 Ų62.32%0.02137%0.374CS..SBendtrans-71-43.3171.8-68-171.2000110.1P80 C117 D118 Y140I63-P80 HydrophobicContact CD1-CB 4Å; I63-P80 HydrophobicContact CG2-CB 3.71Å; I63-P80 HydrophobicContact CG2-CG 3.33Å; I63-C117 WeakPolarHBondContact CD1-O 3.23Å; I63-D118 WeakPolarHBondContact CA-OD1 3.32Å; I63-D118 WeakPolarHBondContact CB-OD1 3.25Å; I63-D118 PolarHBondContact N-OD1 3.07Å; I63-Y140 HydrophobicContact CG2-CD2 4.4Å; I63-Y140 HydrophobicContact CG2-CE2 4.02Å
64F93Very high74.2Confident8 Ų855.1 Ų55.14%0.03534%0.343CS..THydrogen-bonded Turntrans-77.6135.3-179.9-76.5-106.8000110.8T66 I83 K114 C117 D118 V136 L139 Y140 E143F64-T66 VanDerWaalsContact C-N 3.33Å; F64-I83 HydrophobicContact CE2-CD1 4.24Å; F64-I83 HydrophobicContact CZ-CD1 3.93Å; F64-K114 HydrophobicContact CB-CD 4.48Å; F64-K114 HydrophobicContact CD1-CD 3.97Å; F64-K114 HydrophobicContact CD1-CG 4.12Å; F64-K114 HydrophobicContact CD2-CD 4.41Å; F64-K114 HydrophobicContact CD2-CG 3.8Å; F64-K114 HydrophobicContact CE1-CD 4.29Å; F64-K114 HydrophobicContact CE1-CG 4.16Å; F64-K114 HydrophobicContact CE2-CB 4.39Å; F64-K114 HydrophobicContact CE2-CG 3.89Å; F64-K114 HydrophobicContact CG-CD 4.03Å; F64-K114 HydrophobicContact CG-CG 3.94Å; F64-K114 HydrophobicContact CZ-CB 4.31Å; F64-K114 HydrophobicContact CZ-CG 4.07Å; F64-C117 HydrophobicContact CD2-CB 4.46Å; F64-C117 HydrophobicContact CE2-CB 3.69Å; F64-D118 WeakPolarHBondContact CD2-OD1 3.44Å; F64-D118 PolarHBondContact N-OD1 3.13Å; F64-V136 HydrophobicContact CE1-CG1 4.49Å; F64-V136 HydrophobicContact CZ-CG1 3.8Å; F64-L139 HydrophobicContact CD1-CG 4.28Å; F64-L139 HydrophobicContact CE1-CB 4.27Å; F64-L139 HydrophobicContact CE1-CD2 4.2Å; F64-L139 HydrophobicContact CE1-CG 3.99Å; F64-Y140 HydrophobicContact CD1-CD2 4.36Å; F64-Y140 VanDerWaalsContact CE1-CA 3.45Å; F64-Y140 HydrophobicContact CE1-CD2 4.35Å; F64-Y140 HydrophobicContact CZ-CD2 4.46Å; F64-E143 WeakPolarHBondContact CB-OE2 3.33Å; F64-E143 WeakPolarHBondContact CD1-OE2 3.36Å
65G92.2Very high76Confident35 Ų3556.8 Ų56.836%0.36134%0.341SS..THydrogen-bonded Turntrans89.1-4.9-176.300000114.7E143 P145G65-E143 VanDerWaalsContact CA-O 3.31Å; G65-E143 WeakPolarHBondContact CA-O 3.12Å; G65-P145 WeakPolarHBondContact O-CD 3.36Å; G65-P145 WeakPolarHBondContact O-CG 3.45Å
66T92.8Very high78.1Confident9 Ų951.7 Ų51.76%0.05531%0.313CS..  trans-96.2135.7-175-61.60000111.4L62 F64 A70 I71L62-T66 PolarHBondContact O-OG1 2.85Å; F64-T66 VanDerWaalsContact C-N 3.33Å; T66-A70 HydrophobicContact CG2-CB 3.88Å; T66-I71 HydrophobicContact CG2-CD1 3.62Å; T66-I71 HydrophobicContact CG2-CG1 3.91Å
67P94.3Very high80.1Confident64 Ų6447.9 Ų47.942%0.41630%0.296SS..  trans-59.2142.2177.9-22.330.9000113.2A69 A70 I71 P145P67-A69 PolarHBondContact O-N 3.41Å; P67-A69 VanDerWaalsContact O-N 3.16Å; P67-A70 HydrophobicContact CB-CB 4.37Å; P67-A70 WeakPolarHBondContact O-CA 3.25Å; P67-A70 WeakPolarHBondContact O-CB 3.35Å; P67-A70 PolarHBondContact O-N 3.36Å; P67-I71 PolarHBondContact O-N 3.23Å; P67-P145 HydrophobicContact CG-CG 3.97Å
68L94.5Very high82.4Confident10 Ų1045.7 Ų45.75%0.05228%0.282CS..Hα-helixtrans-54.8-37.4178.7-61178.9000113.3I71 A72 P78 Y140 L144 L148 E183 V187L68-I71 PolarHBondContact O-N 3.13Å; L68-A72 WeakPolarHBondContact O-CB 3.24Å; L68-A72 PolarHBondContact O-N 3.46Å; L68-P78 HydrophobicContact CB-CB 4.35Å; L68-P78 WeakPolarHBondContact CD2-O 3.37Å; L68-Y140 HydrophobicContact CD2-CE1 4.46Å; L68-Y140 WeakPolarHBondContact CD2-OH 3.44Å; L68-L144 HydrophobicContact CD2-CD1 4.27Å; L68-L144 HydrophobicContact CD2-CD2 3.81Å; L68-L144 HydrophobicContact CG-CD1 4.4Å; L68-L144 HydrophobicContact CG-CD2 4.2Å; L68-L148 HydrophobicContact CD1-CD1 3.84Å; L68-E183 HydrophobicContact CB-CB 3.98Å; L68-V187 HydrophobicContact CD1-CB 4.22Å; L68-V187 HydrophobicContact CD1-CG1 4.47Å; L68-V187 HydrophobicContact CD1-CG2 4.07Å; L68-V187 HydrophobicContact CD2-CG2 4.19Å
69A91Very high84.7Confident48 Ų4842 Ų4240%0.39725%0.251SS..Hα-helixtrans-66.2-36.617700000112.4P67 A72 K73P67-A69 PolarHBondContact O-N 3.41Å; P67-A69 VanDerWaalsContact O-N 3.16Å; A69-A72 PolarHBondContact O-N 3.17Å; A69-K73 WeakPolarHBondContact O-CB 3.49Å; A69-K73 PolarHBondContact O-N 2.99Å
70A90.3Very high86.8Confident14 Ų1432.5 Ų32.512%0.11621%0.207CC..Hα-helixtrans-68.8-44.517500000110.6T66 P67 A72 K73 C74T66-A70 HydrophobicContact CG2-CB 3.88Å; P67-A70 HydrophobicContact CB-CB 4.37Å; P67-A70 WeakPolarHBondContact O-CA 3.25Å; P67-A70 WeakPolarHBondContact O-CB 3.35Å; P67-A70 PolarHBondContact O-N 3.36Å; A70-A72 PolarHBondContact O-N 2.98Å; A70-K73 PolarHBondContact O-N 2.73Å; A70-C74 WeakPolarHBondContact O-CB 3.33Å; A70-C74 PolarHBondContact O-N 3.25Å; A70-C74 PolarHBondContact O-SG 3.13Å
71I90.8Very high88.6Confident3 Ų333.2 Ų33.22%0.01519%0.19CC..Hα-helixtrans-57.4-46.7172.8-62.9-61000110.9T66 P67 L68 K73 C74 Y75 Q77 P78 P80T66-I71 HydrophobicContact CG2-CD1 3.62Å; T66-I71 HydrophobicContact CG2-CG1 3.91Å; P67-I71 PolarHBondContact O-N 3.23Å; L68-I71 PolarHBondContact O-N 3.13Å; I71-K73 VanDerWaalsContact C-N 3.34Å; I71-K73 PolarHBondContact O-N 3.36Å; I71-C74 PolarHBondContact O-N 2.89Å; I71-Y75 HydrophobicContact CB-CD2 4.45Å; I71-Y75 HydrophobicContact CD1-CD2 4.16Å; I71-Y75 HydrophobicContact CD1-CE2 3.91Å; I71-Y75 HydrophobicContact CG2-CD2 3.93Å; I71-Y75 WeakPolarHBondContact O-CD2 3.39Å; I71-Y75 PolarHBondContact O-N 3.01Å; I71-Q77 WeakPolarHBondContact CG2-O 3.43Å; I71-P78 WeakPolarHBondContact CG2-O 3.12Å; I71-P80 HydrophobicContact CG2-CG 3.89Å
72A89.9Confident90Very high11 Ų1129.3 Ų29.39%0.09117%0.173CC..Hα-helixtrans-61.6-41.8177.400000112.3L68 A69 A70 C74 G76 Q77 P78 E183 R490L68-A72 WeakPolarHBondContact O-CB 3.24Å; L68-A72 PolarHBondContact O-N 3.46Å; A69-A72 PolarHBondContact O-N 3.17Å; A70-A72 PolarHBondContact O-N 2.98Å; A72-C74 VanDerWaalsContact C-N 3.33Å; A72-C74 PolarHBondContact O-N 3.3Å; A72-G76 CarbonylContact O-C 3.53Å; A72-G76 WeakPolarHBondContact O-CA 3.33Å; A72-G76 PolarHBondContact O-N 2.89Å; A72-Q77 WeakPolarHBondContact CA-O 3.34Å; A72-P78 HydrophobicContact CB-CB 4.14Å; A72-E183 HydrophobicContact CB-CG 4.07Å; A72-R490 PolarHBondContact O-NH2 2.85Å
73K86.1Confident90.6Very high29 Ų2924.7 Ų24.713%0.12615%0.149CC..Hα-helixtrans-63.2-39.5176.3-166.3177.5-177.8-1760111.4P54 A69 A70 I71 Y330 Y331 P486 R490P54-K73 PolarHBondContact O-NZ 2.89Å; A69-K73 WeakPolarHBondContact O-CB 3.49Å; A69-K73 PolarHBondContact O-N 2.99Å; A70-K73 PolarHBondContact O-N 2.73Å; I71-K73 VanDerWaalsContact C-N 3.34Å; I71-K73 PolarHBondContact O-N 3.36Å; K73-Y330 VanDerWaalsContact NZ-CE1 3.31Å; K73-Y330 PolarHBondContact NZ-OH 2.74Å; K73-Y331 PolarHBondContact O-OH 3.05Å; K73-P486 HydrophobicContact CD-CG 4.36Å; K73-P486 HydrophobicContact CG-CB 3.81Å; K73-P486 HydrophobicContact CG-CG 4.03Å; K73-R490 PolarHBondContact O-NH2 3.35Å
74C82.8Confident91Very high24 Ų2425 Ų2516%0.16215%0.15CC..Hα-helixtrans-83.5-38.1-175.7-61.50000114.3P57 A70 I71 A72 Y331 R490P57-C74 VanDerWaalsContact CD-SG 3.54Å; P57-C74 WeakPolarHBondContact CG-SG 3.36Å; A70-C74 WeakPolarHBondContact O-CB 3.33Å; A70-C74 PolarHBondContact O-N 3.25Å; A70-C74 PolarHBondContact O-SG 3.13Å; I71-C74 PolarHBondContact O-N 2.89Å; A72-C74 VanDerWaalsContact C-N 3.33Å; A72-C74 PolarHBondContact O-N 3.3Å; C74-Y331 VanDerWaalsContact C-OH 3.24Å; C74-Y331 WeakPolarHBondContact CA-OH 3.35Å; C74-Y331 PolarHBondContact O-OH 3.17Å; C74-R490 PolarHBondContact O-NH1 3.46Å
75Y82.6Confident91.1Very high99 Ų9925.8 Ų25.839%0.38816%0.157SC..Hα-helixtrans-118.9-2.3-172-54-69.8000113.9I71 Q77 H120 R490I71-Y75 HydrophobicContact CB-CD2 4.45Å; I71-Y75 HydrophobicContact CD1-CD2 4.16Å; I71-Y75 HydrophobicContact CD1-CE2 3.91Å; I71-Y75 HydrophobicContact CG2-CD2 3.93Å; I71-Y75 WeakPolarHBondContact O-CD2 3.39Å; I71-Y75 PolarHBondContact O-N 3.01Å; Y75-Q77 VanDerWaalsContact C-N 3.26Å; Y75-Q77 PolarHBondContact O-N 3.29Å; Y75-H120 AromaticContact CE1-CE1 3.64Å; Y75-H120 AromaticContact CZ-CE1 3.43Å; Y75-H120 VanDerWaalsContact CZ-CE1 3.43Å; Y75-H120 AromaticContact CZ-NE2 3.91Å; Y75-H120 PolarHBondContact OH-CE1 3.24Å; Y75-H120 PolarHBondContact OH-NE2 3.37Å; Y75-R490 VanDerWaalsContact CA-NH1 3.33Å
76G82.7Confident91.3Very high16 Ų1624.1 Ų24.117%0.16514%0.139CC..SBendtrans88.3-9.3172.400000113.9A72A72-G76 CarbonylContact O-C 3.53Å; A72-G76 WeakPolarHBondContact O-CA 3.33Å; A72-G76 PolarHBondContact O-N 2.89Å
77Q89.8Confident91.6Very high27 Ų2724.2 Ų24.213%0.12614%0.139CC..SBendtrans-143143.3-178.45.6-176.4-11.400108.7I71 A72 Y75 L79I71-Q77 WeakPolarHBondContact CG2-O 3.43Å; A72-Q77 WeakPolarHBondContact CA-O 3.34Å; Y75-Q77 VanDerWaalsContact C-N 3.26Å; Y75-Q77 PolarHBondContact O-N 3.29Å; Q77-L79 VanDerWaalsContact C-N 3.32Å; Q77-L79 PolarHBondContact O-N 3.29Å
78P93.4Very high91.7Very high4 Ų426.7 Ų26.73%0.02614%0.14CC..SBendtrans-74.2-19.7-173.229.6-36.1000114L68 I71 A72 E183 Q186 V187L68-P78 HydrophobicContact CB-CB 4.35Å; L68-P78 WeakPolarHBondContact CD2-O 3.37Å; I71-P78 WeakPolarHBondContact CG2-O 3.12Å; A72-P78 HydrophobicContact CB-CB 4.14Å; P78-E183 HydrophobicContact CB-CB 3.72Å; P78-E183 HydrophobicContact CB-CG 3.94Å; P78-E183 HydrophobicContact CG-CB 4.41Å; P78-Q186 HydrophobicContact CG-CB 4.14Å; P78-V187 HydrophobicContact CB-CG2 3.71Å; P78-V187 HydrophobicContact CG-CG2 3.71Å
79L94.3Very high91.9Very high2 Ų228.7 Ų28.71%0.0115%0.147CC..SBendtrans-103.1125.2174.5-162.262.4000109.9Q77 I83 Q84 M87 Y140 F141 V187 A190 M400Q77-L79 VanDerWaalsContact C-N 3.32Å; Q77-L79 PolarHBondContact O-N 3.29Å; L79-I83 HydrophobicContact CD1-CB 4.1Å; L79-I83 HydrophobicContact CD1-CG2 3.68Å; L79-I83 HydrophobicContact CD2-CG2 4.27Å; L79-I83 HydrophobicContact CG-CB 4.17Å; L79-I83 HydrophobicContact CG-CG2 4.04Å; L79-Q84 HydrophobicContact CB-CG 4.23Å; L79-Q84 HydrophobicContact CD2-CG 3.84Å; L79-Q84 HydrophobicContact CG-CG 4.04Å; L79-Q84 PolarHBondContact O-NE2 3.36Å; L79-M87 HydrophobicContact CD2-CE 3.88Å; L79-M87 HydrophobicContact CD2-SD 3.67Å; L79-Y140 HydrophobicContact CD1-CD1 4.3Å; L79-Y140 HydrophobicContact CD1-CE1 3.6Å; L79-F141 HydrophobicContact CD1-CZ 4.42Å; L79-V187 HydrophobicContact CB-CG2 4.22Å; L79-V187 HydrophobicContact CD1-CG1 4.06Å; L79-A190 HydrophobicContact CD2-CB 4.38Å; L79-M400 HydrophobicContact CB-CE 4.49Å; L79-M400 HydrophobicContact CB-SD 3.2Å; L79-M400 WeakPolarHBondContact CB-SD 3.1Å; L79-M400 HydrophobicContact CD2-SD 3.56Å; L79-M400 VanDerWaalsContact CD2-SD 3.56Å; L79-M400 HydrophobicContact CG-SD 4.02Å
80P93.1Very high92.2Very high5 Ų526.4 Ų26.43%0.03213%0.128CC..  trans-63.9150178.5-16.726.3000113.2I63 I71 C82 I83 Q84 Y140I63-P80 HydrophobicContact CD1-CB 4Å; I63-P80 HydrophobicContact CG2-CB 3.71Å; I63-P80 HydrophobicContact CG2-CG 3.33Å; I71-P80 HydrophobicContact CG2-CG 3.89Å; P80-C82 VanDerWaalsContact C-N 3.29Å; P80-C82 PolarHBondContact O-N 3.48Å; P80-I83 HydrophobicContact CB-CG1 4.36Å; P80-I83 HydrophobicContact CG-CG1 4.25Å; P80-I83 PolarHBondContact O-N 2.82Å; P80-I83 VanDerWaalsContact O-N 3.07Å; P80-Q84 PolarHBondContact O-N 2.84Å; P80-Y140 VanDerWaalsContact CD-OH 3.25Å; P80-Y140 WeakPolarHBondContact CD-OH 3.49Å; P80-Y140 HydrophobicContact CG-CE2 3.98Å
81Q91.3Very high92.5Very high92 Ų9228.1 Ų28.143%0.4313%0.134SC..Hα-helixtrans-60.5-33.7-179.1-74.9-59.6-30.500113.8I83 Q84 S85Q81-I83 VanDerWaalsContact C-N 3.34Å; Q81-I83 PolarHBondContact O-N 3.03Å; Q81-Q84 PolarHBondContact O-N 2.73Å; Q81-S85 WeakPolarHBondContact O-CB 3.24Å; Q81-S85 PolarHBondContact O-N 2.88Å; Q81-S85 PolarHBondContact O-OG 3.36Å
82C93.7Very high92.8Very high14 Ų1432 Ų3210%0.09517%0.167CC..Hα-helixtrans-60-45.6174.4-165.50000111.3P80 S85 C86 C117 I123P80-C82 VanDerWaalsContact C-N 3.29Å; P80-C82 PolarHBondContact O-N 3.48Å; C82-S85 PolarHBondContact O-N 3.1Å; C82-C86 PolarHBondContact O-N 3.08Å; C82-C86 PolarHBondContact O-SG 2.68Å; C82-C117 HydrophobicContact CB-CB 3.63Å; C82-C117 WeakPolarHBondContact CB-SG 3.26Å; C82-C117 WeakPolarHBondContact SG-CA 3.29Å; C82-C117 WeakPolarHBondContact SG-CB 3.46Å; C82-C117 CovalentContact SG-SG 2.02Å; C82-C117 PolarHBondContact SG-SG 2.94Å; C82-I123 HydrophobicContact CB-CD1 4.42Å; C82-I123 WeakPolarHBondContact SG-CD1 3.36Å
83I96.2Very high93.2Very high0 Ų034.3 Ų34.30%018%0.178CC..Hα-helixtrans-69.2-41.2179.3-54.8-56.8000110.8F64 L79 P80 Q81 S85 C86 M87 Y140F64-I83 HydrophobicContact CE2-CD1 4.24Å; F64-I83 HydrophobicContact CZ-CD1 3.93Å; L79-I83 HydrophobicContact CD1-CB 4.1Å; L79-I83 HydrophobicContact CD1-CG2 3.68Å; L79-I83 HydrophobicContact CD2-CG2 4.27Å; L79-I83 HydrophobicContact CG-CB 4.17Å; L79-I83 HydrophobicContact CG-CG2 4.04Å; P80-I83 HydrophobicContact CB-CG1 4.36Å; P80-I83 HydrophobicContact CG-CG1 4.25Å; P80-I83 PolarHBondContact O-N 2.82Å; P80-I83 VanDerWaalsContact O-N 3.07Å; Q81-I83 VanDerWaalsContact C-N 3.34Å; Q81-I83 PolarHBondContact O-N 3.03Å; I83-S85 VanDerWaalsContact C-N 3.28Å; I83-S85 PolarHBondContact O-N 3.19Å; I83-C86 WeakPolarHBondContact O-CB 3.21Å; I83-C86 PolarHBondContact O-N 3.34Å; I83-M87 HydrophobicContact CG2-CE 4.21Å; I83-M87 HydrophobicContact CG2-CG 4.5Å; I83-M87 WeakPolarHBondContact O-CG 3.45Å; I83-M87 PolarHBondContact O-N 3.08Å; I83-Y140 HydrophobicContact CD1-CD1 4.44Å; I83-Y140 HydrophobicContact CD1-CD2 3.94Å; I83-Y140 HydrophobicContact CD1-CG 3.77Å; I83-Y140 HydrophobicContact CG1-CD1 4.11Å; I83-Y140 HydrophobicContact CG1-CD2 3.84Å; I83-Y140 HydrophobicContact CG1-CE1 4.41Å; I83-Y140 HydrophobicContact CG1-CE2 4.17Å; I83-Y140 HydrophobicContact CG1-CG 3.8Å; I83-Y140 HydrophobicContact CG2-CD1 4.11Å; I83-Y140 HydrophobicContact CG2-CG 4.49Å
84Q95.6Very high93.6Very high12 Ų1233 Ų336%0.05617%0.172CC..Hα-helixtrans-58.3-41.5173.4-67.9-177.851.600112L79 P80 Q81 M87 R88 M400L79-Q84 HydrophobicContact CB-CG 4.23Å; L79-Q84 HydrophobicContact CD2-CG 3.84Å; L79-Q84 HydrophobicContact CG-CG 4.04Å; L79-Q84 PolarHBondContact O-NE2 3.36Å; P80-Q84 PolarHBondContact O-N 2.84Å; Q81-Q84 PolarHBondContact O-N 2.73Å; Q84-M87 PolarHBondContact O-N 3.43Å; Q84-R88 WeakPolarHBondContact O-CG 3.29Å; Q84-R88 PolarHBondContact O-N 3.21Å; Q84-M400 HydrophobicContact CG-CG 4.2Å
85S95.6Very high94.2Very high24 Ų2433.9 Ų33.917%0.16818%0.181CC..Hα-helixtrans-64.9-41.6176-57.40000111.9Q81 C82 I83 R88 Y89 F125Q81-S85 WeakPolarHBondContact O-CB 3.24Å; Q81-S85 PolarHBondContact O-N 2.88Å; Q81-S85 PolarHBondContact O-OG 3.36Å; C82-S85 PolarHBondContact O-N 3.1Å; I83-S85 VanDerWaalsContact C-N 3.28Å; I83-S85 PolarHBondContact O-N 3.19Å; S85-R88 PolarHBondContact O-N 3.4Å; S85-R88 PolarHBondContact OG-NH2 3.19Å; S85-Y89 PolarHBondContact O-N 3.4Å; S85-F125 WeakPolarHBondContact O-CZ 3.48Å
86C97.6Very high94.7Very high0 Ų032.3 Ų32.30%020%0.195CC..Hα-helixtrans-61-43.5173.9-68.90000111.8C82 I83 Y89 V90 V133 I137C82-C86 PolarHBondContact O-N 3.08Å; C82-C86 PolarHBondContact O-SG 2.68Å; I83-C86 WeakPolarHBondContact O-CB 3.21Å; I83-C86 PolarHBondContact O-N 3.34Å; C86-Y89 PolarHBondContact O-N 3.17Å; C86-V90 WeakPolarHBondContact O-CG2 3.47Å; C86-V90 PolarHBondContact O-N 3.35Å; C86-V133 HydrophobicContact CB-CG1 3.49Å; C86-V133 VanDerWaalsContact CB-CG1 3.49Å; C86-I137 HydrophobicContact CB-CD1 4.15Å; C86-I137 HydrophobicContact CB-CG1 3.88Å
87M98Very high95.4Very high10 Ų1031.9 Ų31.95%0.04919%0.189CC..Hα-helixtrans-60.1-49176.3-67.7-169.2167.200111.1L79 I83 Q84 Y89 V90 E91 I137 F141 A190 L191 L194L79-M87 HydrophobicContact CD2-CE 3.88Å; L79-M87 HydrophobicContact CD2-SD 3.67Å; I83-M87 HydrophobicContact CG2-CE 4.21Å; I83-M87 HydrophobicContact CG2-CG 4.5Å; I83-M87 WeakPolarHBondContact O-CG 3.45Å; I83-M87 PolarHBondContact O-N 3.08Å; Q84-M87 PolarHBondContact O-N 3.43Å; M87-Y89 VanDerWaalsContact C-N 3.31Å; M87-Y89 PolarHBondContact O-N 3.04Å; M87-V90 PolarHBondContact O-N 3.33Å; M87-V90 VanDerWaalsContact O-N 3.17Å; M87-E91 WeakPolarHBondContact O-CG 3.46Å; M87-E91 PolarHBondContact O-N 3Å; M87-I137 HydrophobicContact CE-CG2 4.1Å; M87-I137 HydrophobicContact CG-CD1 4.08Å; M87-I137 HydrophobicContact CG-CG1 4.48Å; M87-F141 HydrophobicContact CE-CE2 3.67Å; M87-F141 HydrophobicContact CE-CZ 3.71Å; M87-A190 HydrophobicContact SD-CB 4.48Å; M87-L191 HydrophobicContact CE-CB 4.35Å; M87-L191 HydrophobicContact CE-CD1 4.19Å; M87-L194 HydrophobicContact CB-CD2 4.08Å; M87-L194 HydrophobicContact CE-CD2 4.37Å; M87-L194 HydrophobicContact CG-CD2 3.75Å; M87-L194 HydrophobicContact SD-CD2 4.24Å
88R97.1Very high95.8Very high117 Ų11733.3 Ų33.344%0.44220%0.2SC..Hα-helixtrans-57.4-41.9176.2-76.3-175-87.2104.7-4.6112.6Q84 S85 E91 A92Q84-R88 WeakPolarHBondContact O-CG 3.29Å; Q84-R88 PolarHBondContact O-N 3.21Å; S85-R88 PolarHBondContact O-N 3.4Å; S85-R88 PolarHBondContact OG-NH2 3.19Å; R88-E91 PolarHBondContact O-N 2.81Å; R88-A92 WeakPolarHBondContact O-CB 3.5Å; R88-A92 PolarHBondContact O-N 2.91Å
89Y97.7Very high96Very high51 Ų5133.1 Ų33.120%0.220%0.199CC..Hα-helixtrans-63.4-42.5177.3-178.5-102.4000112.3S85 C86 M87 A92 N93 F125 F128 V130 V133S85-Y89 PolarHBondContact O-N 3.4Å; C86-Y89 PolarHBondContact O-N 3.17Å; M87-Y89 VanDerWaalsContact C-N 3.31Å; M87-Y89 PolarHBondContact O-N 3.04Å; Y89-A92 PolarHBondContact O-N 2.97Å; Y89-N93 WeakPolarHBondContact CE2-ND2 3.48Å; Y89-N93 PolarHBondContact O-N 3.45Å; Y89-N93 PolarHBondContact O-ND2 3.41Å; Y89-F125 AromaticContact CD1-CD1 3.8Å; Y89-F125 HydrophobicContact CD1-CD1 3.8Å; Y89-F125 HydrophobicContact CD1-CE1 4.14Å; Y89-F125 HydrophobicContact CD2-CB 3.76Å; Y89-F125 AromaticContact CD2-CD1 3.74Å; Y89-F125 HydrophobicContact CD2-CD1 3.74Å; Y89-F125 HydrophobicContact CD2-CD2 4.18Å; Y89-F125 HydrophobicContact CD2-CE1 4.39Å; Y89-F125 AromaticContact CD2-CG 3.62Å; Y89-F125 HydrophobicContact CD2-CG 3.62Å; Y89-F125 HydrophobicContact CE1-CD1 4.17Å; Y89-F125 HydrophobicContact CE2-CB 3.6Å; Y89-F125 HydrophobicContact CE2-CD1 4.17Å; Y89-F125 AromaticContact CE2-CG 3.99Å; Y89-F125 HydrophobicContact CE2-CG 3.99Å; Y89-F125 HydrophobicContact CG-CB 4.42Å; Y89-F125 AromaticContact CG-CD1 3.53Å; Y89-F125 HydrophobicContact CG-CD1 3.53Å; Y89-F125 HydrophobicContact CG-CD2 4.49Å; Y89-F125 AromaticContact CG-CE1 3.83Å; Y89-F125 HydrophobicContact CG-CE1 3.83Å; Y89-F125 AromaticContact CG-CG 3.9Å; Y89-F125 HydrophobicContact CG-CG 3.9Å; Y89-F125 HydrophobicContact CG-CZ 4.42Å; Y89-F128 PolarHBondContact OH-O 3.43Å; Y89-V130 HydrophobicContact CE1-CB 4.45Å; Y89-V130 HydrophobicContact CE1-CG2 3.88Å; Y89-V133 HydrophobicContact CD1-CB 3.96Å; Y89-V133 HydrophobicContact CD1-CG1 3.98Å; Y89-V133 HydrophobicContact CD1-CG2 3.65Å; Y89-V133 HydrophobicContact CE1-CB 4.35Å; Y89-V133 HydrophobicContact CE1-CG2 3.73Å
90V98.4Very high96.2Very high0 Ų033 Ų330%020%0.198CC..Hα-helixtrans-67.2-40.5176.4175.70000111.3C86 M87 A92 N93 A94 V100 F101 V130 V133 A134 I137 L194 V198C86-V90 WeakPolarHBondContact O-CG2 3.47Å; C86-V90 PolarHBondContact O-N 3.35Å; M87-V90 PolarHBondContact O-N 3.33Å; M87-V90 VanDerWaalsContact O-N 3.17Å; V90-A92 PolarHBondContact O-N 3.36Å; V90-N93 CarbonylContact O-C 3.56Å; V90-N93 PolarHBondContact O-N 2.94Å; V90-A94 WeakPolarHBondContact O-CA 3.26Å; V90-A94 PolarHBondContact O-N 3.06Å; V90-V100 HydrophobicContact CG1-CG2 3.94Å; V90-F101 HydrophobicContact CG1-CE2 3.92Å; V90-F101 HydrophobicContact CG1-CZ 3.81Å; V90-V130 HydrophobicContact CG2-CG1 4.3Å; V90-V133 HydrophobicContact CG2-CB 4.23Å; V90-V133 HydrophobicContact CG2-CG1 3.9Å; V90-A134 HydrophobicContact CG2-CB 4.36Å; V90-I137 HydrophobicContact CB-CD1 4.44Å; V90-I137 HydrophobicContact CG2-CD1 3.84Å; V90-L194 HydrophobicContact CB-CD1 4.12Å; V90-L194 HydrophobicContact CG1-CD1 3.95Å; V90-V198 HydrophobicContact CG1-CG2 4.26Å
91E96.7Very high96.4Very high50 Ų5032.8 Ų32.823%0.23420%0.197CC..Hα-helixtrans-59-46.8175.3-72.3178.3161.800111.7M87 R88 N93 A94 H193 L194 T197M87-E91 WeakPolarHBondContact O-CG 3.46Å; M87-E91 PolarHBondContact O-N 3Å; R88-E91 PolarHBondContact O-N 2.81Å; E91-N93 PolarHBondContact O-N 3.34Å; E91-A94 WeakPolarHBondContact O-CB 3.48Å; E91-A94 PolarHBondContact O-N 3.17Å; E91-H193 IonicContact OE1-CD2 2.73Å; E91-H193 IonicContact OE1-NE2 2.67Å; E91-L194 HydrophobicContact CG-CD1 3.43Å; E91-L194 VanDerWaalsContact CG-CD1 3.43Å; E91-L194 WeakPolarHBondContact OE1-CA 3.02Å; E91-T197 HydrophobicContact CB-CG2 4.49Å; E91-T197 HydrophobicContact CG-CG2 4.34Å
92A97.2Very high96.7Very high85 Ų8534.2 Ų34.270%0.70220%0.198SC*.Hα-helixtrans-63.1-28.9179.800000113.3R88 Y89 V90R88-A92 WeakPolarHBondContact O-CB 3.5Å; R88-A92 PolarHBondContact O-N 2.91Å; Y89-A92 PolarHBondContact O-N 2.97Å; V90-A92 PolarHBondContact O-N 3.36Å
93N97.7Very high96.9Very high60 Ų6038.3 Ų38.332%0.32121%0.214SC..THydrogen-bonded Turntrans-105.59.8-178.5-66.5-83.7000113.6Y89 V90 E91 A95 G96 S97 V130Y89-N93 WeakPolarHBondContact CE2-ND2 3.48Å; Y89-N93 PolarHBondContact O-N 3.45Å; Y89-N93 PolarHBondContact O-ND2 3.41Å; V90-N93 CarbonylContact O-C 3.56Å; V90-N93 PolarHBondContact O-N 2.94Å; E91-N93 PolarHBondContact O-N 3.34Å; N93-A95 VanDerWaalsContact C-N 3.28Å; N93-A95 PolarHBondContact O-N 2.96Å; N93-G96 PolarHBondContact O-N 2.87Å; N93-S97 WeakPolarHBondContact O-CB 3.46Å; N93-S97 PolarHBondContact O-N 3.49Å; N93-S97 PolarHBondContact O-OG 3.43Å; N93-V130 HydrophobicContact CB-CG1 4.25Å; N93-V130 HydrophobicContact CB-CG2 3.51Å
94A95.3Very high96.8Very high1 Ų142.9 Ų42.91%0.00825%0.247CC..THydrogen-bonded Turntrans-60.1-34.6-170.300000113.7V90 E91 V198 Y201 N205V90-A94 WeakPolarHBondContact O-CA 3.26Å; V90-A94 PolarHBondContact O-N 3.06Å; E91-A94 WeakPolarHBondContact O-CB 3.48Å; E91-A94 PolarHBondContact O-N 3.17Å; A94-V198 HydrophobicContact CB-CG2 3.94Å; A94-Y201 HydrophobicContact CB-CD2 3.68Å; A94-Y201 HydrophobicContact CB-CE2 4.14Å; A94-N205 VanDerWaalsContact O-CB 3.31Å; A94-N205 WeakPolarHBondContact O-CB 2.86Å; A94-N205 PolarHBondContact O-ND2 3Å
95A94.4Very high96.8Very high42 Ų4243.1 Ų43.135%0.34725%0.252SS..THydrogen-bonded Turntrans-71.5-37.7-175.700000113.7N93 Y201 T204N93-A95 VanDerWaalsContact C-N 3.28Å; N93-A95 PolarHBondContact O-N 2.96Å; A95-Y201 HydrophobicContact CB-CD1 3.57Å; A95-Y201 HydrophobicContact CB-CD2 4.48Å; A95-Y201 HydrophobicContact CB-CE1 3.89Å; A95-Y201 HydrophobicContact CB-CG 3.9Å; A95-T204 WeakPolarHBondContact O-CB 3.46Å; A95-T204 PolarHBondContact O-OG1 3.37Å
96G93.9Very high96.9Very high66 Ų6645.2 Ų45.268%0.6826%0.263SS*.THydrogen-bonded Turntrans-90.5-8.9-176.600000114.6N93 V98N93-G96 PolarHBondContact O-N 2.87Å; G96-V98 PolarHBondContact O-N 3.02Å
97S96.6Very high96.8Very high7 Ų755 Ų555%0.04930%0.301CS..  trans-95.874.7-167.8-59.60000112.4N93 G99 V100 V130N93-S97 WeakPolarHBondContact O-CB 3.46Å; N93-S97 PolarHBondContact O-N 3.49Å; N93-S97 PolarHBondContact O-OG 3.43Å; S97-G99 PolarHBondContact O-N 3.41Å; S97-V100 WeakPolarHBondContact O-CB 3.49Å; S97-V100 PolarHBondContact O-N 3.28Å; S97-V130 WeakPolarHBondContact OG-CB 3.42Å; S97-V130 WeakPolarHBondContact OG-CG1 3.45Å; S97-V130 WeakPolarHBondContact OG-CG2 3.49Å
98V97.8Very high96.8Very high58 Ų5858.6 Ų58.635%0.35233%0.326SS..THydrogen-bonded Turntrans-55.9121.6-177.6-176.40000112G96 K103 W131 N205 Q206G96-V98 PolarHBondContact O-N 3.02Å; V98-K103 WeakPolarHBondContact O-CD 3.5Å; V98-K103 WeakPolarHBondContact O-CE 3.47Å; V98-K103 PolarHBondContact O-NZ 2.91Å; V98-W131 PolarHBondContact O-NE1 3.31Å; V98-N205 CarbonylContact C-O 3.56Å; V98-N205 WeakPolarHBondContact CA-O 3.38Å; V98-Q206 HydrophobicContact CG1-CG 4.18Å
99G97.6Very high96.8Very high0 Ų057.4 Ų57.40%032%0.322CS..THydrogen-bonded Turntrans72.323.3-179.200000114S97 R102 K103 N205S97-G99 PolarHBondContact O-N 3.41Å; G99-R102 CarbonylContact O-C 3.58Å; G99-R102 WeakPolarHBondContact O-CA 3.11Å; G99-R102 WeakPolarHBondContact O-CB 3.4Å; G99-R102 PolarHBondContact O-N 3.04Å; G99-K103 PolarHBondContact O-N 3.5Å; G99-N205 PolarHBondContact N-O 3.37Å
100V98.3Very high96.8Very high0 Ų055.8 Ų55.80%032%0.316CS..THydrogen-bonded Turntrans-50.6140.6173.763.90000111.1V90 S97 R102 V130 A134 V198 M207V90-V100 HydrophobicContact CG1-CG2 3.94Å; S97-V100 WeakPolarHBondContact O-CB 3.49Å; S97-V100 PolarHBondContact O-N 3.28Å; V100-R102 PolarHBondContact O-N 2.9Å; V100-V130 HydrophobicContact CG2-CG1 4.01Å; V100-A134 HydrophobicContact CG2-CB 3.8Å; V100-V198 HydrophobicContact CG1-CG1 3.53Å; V100-M207 HydrophobicContact CG1-CG 4.47Å; V100-M207 WeakPolarHBondContact O-CG 3.43Å
101F98.2Very high96.8Very high0 Ų060.1 Ų60.10%034%0.337CS..THydrogen-bonded Turntrans65.2-19.1-168.3-57.7-67.7000117.4V90 A134 I137 K138 L194 L195 V198 L212 F216V90-F101 HydrophobicContact CG1-CE2 3.92Å; V90-F101 HydrophobicContact CG1-CZ 3.81Å; F101-A134 HydrophobicContact CD1-CB 3.59Å; F101-A134 HydrophobicContact CE1-CB 3.63Å; F101-A134 WeakPolarHBondContact CE1-O 3.5Å; F101-A134 HydrophobicContact CG-CB 4.24Å; F101-A134 HydrophobicContact CZ-CB 4.34Å; F101-I137 HydrophobicContact CE1-CB 4.4Å; F101-I137 HydrophobicContact CE1-CD1 4.33Å; F101-I137 HydrophobicContact CZ-CD1 4.39Å; F101-K138 HydrophobicContact CD1-CD 4.36Å; F101-K138 HydrophobicContact CD1-CG 4.22Å; F101-K138 PolarHBondContact O-NZ 2.93Å; F101-L194 HydrophobicContact CZ-CD1 4.47Å; F101-L194 HydrophobicContact CZ-CD2 3.93Å; F101-L194 HydrophobicContact CZ-CG 4.28Å; F101-L195 HydrophobicContact CD2-CD2 4.12Å; F101-L195 HydrophobicContact CE2-CD2 3.85Å; F101-L195 HydrophobicContact CZ-CD2 4.34Å; F101-V198 HydrophobicContact CE2-CG2 4.13Å; F101-L212 HydrophobicContact CB-CD2 4.15Å; F101-L212 HydrophobicContact CD2-CD2 3.66Å; F101-L212 HydrophobicContact CG-CD2 4.33Å; F101-F216 HydrophobicContact CB-CE2 3.82Å; F101-F216 AromaticContact CD1-CE2 3.46Å; F101-F216 HydrophobicContact CD1-CE2 3.46Å; F101-F216 VanDerWaalsContact CD1-CE2 3.46Å; F101-F216 AromaticContact CD1-CZ 3.46Å; F101-F216 HydrophobicContact CD1-CZ 3.46Å; F101-F216 VanDerWaalsContact CD1-CZ 3.46Å; F101-F216 AromaticContact CD2-CE2 3.96Å; F101-F216 HydrophobicContact CD2-CE2 3.96Å; F101-F216 AromaticContact CE1-CE2 3.93Å; F101-F216 HydrophobicContact CE1-CE2 3.93Å; F101-F216 AromaticContact CE1-CZ 3.56Å; F101-F216 HydrophobicContact CE1-CZ 3.56Å; F101-F216 HydrophobicContact CE2-CE2 4.34Å; F101-F216 AromaticContact CG-CE2 3.48Å; F101-F216 HydrophobicContact CG-CE2 3.48Å; F101-F216 VanDerWaalsContact CG-CE2 3.48Å; F101-F216 AromaticContact CG-CZ 3.99Å; F101-F216 HydrophobicContact CG-CZ 3.99Å; F101-F216 HydrophobicContact CZ-CE2 4.34Å; F101-F216 HydrophobicContact CZ-CZ 4.13Å
102R97.5Very high96.7Very high122 Ų12262.8 Ų62.846%0.4635%0.345SS..THydrogen-bonded Turntrans-91.5-52.2173.1-177.8177.869.7-165.6-1.5112.2G99 V100 M207G99-R102 CarbonylContact O-C 3.58Å; G99-R102 WeakPolarHBondContact O-CA 3.11Å; G99-R102 WeakPolarHBondContact O-CB 3.4Å; G99-R102 PolarHBondContact O-N 3.04Å; V100-R102 PolarHBondContact O-N 2.9Å; R102-M207 HydrophobicContact CB-CE 3.77Å; R102-M207 HydrophobicContact CB-SD 3.67Å
103K96.9Very high96.7Very high99 Ų9958.7 Ų58.743%0.4331%0.311SS..SBendtrans-70.8136.3174.2-69.1-174.8-175.6172.20109.2V98 G99 W131V98-K103 WeakPolarHBondContact O-CD 3.5Å; V98-K103 WeakPolarHBondContact O-CE 3.47Å; V98-K103 PolarHBondContact O-NZ 2.91Å; G99-K103 PolarHBondContact O-N 3.5Å; K103-W131 HydrophobicContact CB-CG 4.41Å
104S94.7Very high96.6Very high97 Ų9757.6 Ų57.668%0.67830%0.303SS*.  trans-79.5141.7179-61.60000111.7D135S104-D135 VanDerWaalsContact CA-OD2 3.28Å; S104-D135 WeakPolarHBondContact CA-OD2 3.36Å
105G95.5Very high96.5Very high16 Ų1660.3 Ų60.317%0.16533%0.326CS..  trans-75.1176.4164.700000112.1R107 D132 D135G105-R107 PolarHBondContact O-N 3.21Å; G105-D132 WeakPolarHBondContact CA-OD1 3.47Å; G105-D135 PolarHBondContact N-OD2 3.45Å
106V97.7Very high96.4Very high68 Ų6859.7 Ų59.741%0.41232%0.318SS..  trans-77120.3176.9-178.30000109.3S108 R109 I110 D132V106-S108 VanDerWaalsContact C-N 3.31Å; V106-S108 WeakPolarHBondContact CG1-OG 3.31Å; V106-S108 PolarHBondContact O-N 2.97Å; V106-R109 HydrophobicContact CB-CB 4.29Å; V106-R109 HydrophobicContact CB-CG 4.14Å; V106-R109 HydrophobicContact CG1-CG 4.33Å; V106-R109 WeakPolarHBondContact O-CB 3.2Å; V106-R109 PolarHBondContact O-N 3.17Å; V106-I110 WeakPolarHBondContact O-CG1 3.43Å; V106-I110 PolarHBondContact O-N 3.08Å; V106-D132 PolarHBondContact N-OD1 2.84Å
107R96.2Very high96.4Very high207 Ų20756.6 Ų56.678%0.78129%0.285SS*.Hα-helixtrans-50.7-44.9-175.4-175.4177.6177.3178.8-1.7113.8G105 R109 I110 Q111G105-R107 PolarHBondContact O-N 3.21Å; R107-R109 VanDerWaalsContact C-N 3.34Å; R107-R109 PolarHBondContact O-N 2.91Å; R107-I110 PolarHBondContact O-N 3.22Å; R107-Q111 WeakPolarHBondContact O-CG 3.22Å; R107-Q111 PolarHBondContact O-N 2.86Å
108S97.3Very high96Very high84 Ų8457.4 Ų57.459%0.58729%0.289SS*.Hα-helixtrans-63.6-38.4179.6550000112.5V106 Q111 R112V106-S108 VanDerWaalsContact C-N 3.31Å; V106-S108 WeakPolarHBondContact CG1-OG 3.31Å; V106-S108 PolarHBondContact O-N 2.97Å; S108-Q111 PolarHBondContact O-N 3.34Å; S108-R112 WeakPolarHBondContact O-CB 3.37Å; S108-R112 PolarHBondContact O-N 3.31Å
109R97.8Very high95.4Very high92 Ų9257.4 Ų57.435%0.34729%0.292SS..Hα-helixtrans-69.6-40.7176.1-64.8-176.4-175.1160.2-0.6111.6V106 R107 Q111 R112 L113 F128 D132V106-R109 HydrophobicContact CB-CB 4.29Å; V106-R109 HydrophobicContact CB-CG 4.14Å; V106-R109 HydrophobicContact CG1-CG 4.33Å; V106-R109 WeakPolarHBondContact O-CB 3.2Å; V106-R109 PolarHBondContact O-N 3.17Å; R107-R109 VanDerWaalsContact C-N 3.34Å; R107-R109 PolarHBondContact O-N 2.91Å; R109-Q111 VanDerWaalsContact C-N 3.34Å; R109-Q111 PolarHBondContact O-N 3.46Å; R109-R112 PolarHBondContact O-N 2.91Å; R109-L113 PolarHBondContact O-N 3.44Å; R109-F128 HydrophobicContact CB-CD1 4.15Å; R109-F128 HydrophobicContact CB-CE1 4.37Å; R109-F128 WeakPolarHBondContact O-CE1 3.39Å; R109-D132 HydrophobicContact CB-CB 4.27Å; R109-D132 WeakPolarHBondContact CD-OD2 3.49Å; R109-D132 IonicContact NH1-OD2 3.73Å
110I97.3Very high94.6Very high17 Ų1762.3 Ų62.39%0.08731%0.314CS..Hα-helixtrans-58.9-45.9174.5-64.9161.8000110.6V106 R107 L113 K114 D132 D135 V136 L139V106-I110 WeakPolarHBondContact O-CG1 3.43Å; V106-I110 PolarHBondContact O-N 3.08Å; R107-I110 PolarHBondContact O-N 3.22Å; I110-L113 PolarHBondContact O-N 3.32Å; I110-K114 WeakPolarHBondContact O-CB 3.35Å; I110-K114 PolarHBondContact O-N 3.38Å; I110-D132 HydrophobicContact CG1-CB 4.38Å; I110-D135 HydrophobicContact CD1-CB 3.5Å; I110-D135 WeakPolarHBondContact CD1-OD2 3.41Å; I110-D135 HydrophobicContact CG1-CB 3.95Å; I110-V136 HydrophobicContact CB-CG2 4.28Å; I110-V136 HydrophobicContact CG2-CG2 3.75Å; I110-L139 HydrophobicContact CG2-CD2 4.04Å
111Q97.1Very high93.6Very high92 Ų9267 Ų6743%0.4334%0.34SS..Hα-helixtrans-66.4-39177.7-65.6-53.4-5600112.4R107 S108 R109 K114 A115R107-Q111 WeakPolarHBondContact O-CG 3.22Å; R107-Q111 PolarHBondContact O-N 2.86Å; S108-Q111 PolarHBondContact O-N 3.34Å; R109-Q111 VanDerWaalsContact C-N 3.34Å; R109-Q111 PolarHBondContact O-N 3.46Å; Q111-K114 PolarHBondContact O-N 3.49Å; Q111-A115 PolarHBondContact O-N 3.35Å
112R96.3Very high93.1Very high105 Ų10572.6 Ų72.640%0.39638%0.378SS..Hα-helixtrans-61.7-46.1174.7-176.3174.16193.50.8111.8S108 R109 A115 V116 S127 F128S108-R112 WeakPolarHBondContact O-CB 3.37Å; S108-R112 PolarHBondContact O-N 3.31Å; R109-R112 PolarHBondContact O-N 2.91Å; R112-A115 PolarHBondContact O-N 3.37Å; R112-V116 WeakPolarHBondContact O-CG2 3.48Å; R112-V116 PolarHBondContact O-N 3.39Å; R112-S127 PolarHBondContact NH1-OG 2.84Å; R112-S127 PolarHBondContact NH2-O 3.09Å; R112-S127 PolarHBondContact NH2-OG 3.42Å; R112-S127 VanDerWaalsContact NH2-OG 3.13Å; R112-F128 HydrophobicContact CB-CE1 4.46Å; R112-F128 HydrophobicContact CG-CZ 4.4Å; R112-F128 VanDerWaalsContact NH2-CZ 3.32Å
113L96.9Very high92.8Very high0 Ų068.1 Ų68.10%036%0.363CS..Hα-helixtrans-66.1-37.3177.9-179.154.5000112.2R109 I110 V116 C117 I123 F128 V133 V136R109-L113 PolarHBondContact O-N 3.44Å; I110-L113 PolarHBondContact O-N 3.32Å; L113-V116 PolarHBondContact O-N 3.42Å; L113-C117 PolarHBondContact O-N 3.06Å; L113-C117 PolarHBondContact O-SG 3.01Å; L113-I123 HydrophobicContact CD1-CB 4.45Å; L113-I123 HydrophobicContact CD1-CD1 4.26Å; L113-I123 HydrophobicContact CD1-CG1 4.12Å; L113-I123 HydrophobicContact CD1-CG2 3.52Å; L113-F128 HydrophobicContact CB-CD1 4.07Å; L113-F128 HydrophobicContact CB-CE1 3.51Å; L113-F128 HydrophobicContact CB-CE2 4.38Å; L113-F128 HydrophobicContact CB-CZ 3.67Å; L113-F128 HydrophobicContact CD1-CD2 4.38Å; L113-F128 HydrophobicContact CD1-CE2 3.92Å; L113-F128 HydrophobicContact CD1-CZ 4.01Å; L113-F128 HydrophobicContact CD2-CD1 4.37Å; L113-F128 HydrophobicContact CD2-CG 4.41Å; L113-F128 HydrophobicContact CG-CE1 4.42Å; L113-F128 HydrophobicContact CG-CZ 4.34Å; L113-V133 HydrophobicContact CD2-CB 4.37Å; L113-V133 HydrophobicContact CD2-CG2 3.91Å; L113-V136 HydrophobicContact CB-CG2 3.91Å; L113-V136 HydrophobicContact CD2-CB 4.08Å; L113-V136 HydrophobicContact CD2-CG1 4.3Å; L113-V136 HydrophobicContact CD2-CG2 3.75Å; L113-V136 HydrophobicContact CG-CB 4.42Å; L113-V136 HydrophobicContact CG-CG1 4.21Å; L113-V136 HydrophobicContact CG-CG2 3.9Å
114K95.3Very high92.6Very high36 Ų3668.1 Ų68.116%0.15737%0.368CS..Hα-helixtrans-57.7-48.5170.9173.3176.7170.7176.40111.4F64 I110 Q111 V116 C117 D118 L139 E143F64-K114 HydrophobicContact CB-CD 4.48Å; F64-K114 HydrophobicContact CD1-CD 3.97Å; F64-K114 HydrophobicContact CD1-CG 4.12Å; F64-K114 HydrophobicContact CD2-CD 4.41Å; F64-K114 HydrophobicContact CD2-CG 3.8Å; F64-K114 HydrophobicContact CE1-CD 4.29Å; F64-K114 HydrophobicContact CE1-CG 4.16Å; F64-K114 HydrophobicContact CE2-CB 4.39Å; F64-K114 HydrophobicContact CE2-CG 3.89Å; F64-K114 HydrophobicContact CG-CD 4.03Å; F64-K114 HydrophobicContact CG-CG 3.94Å; F64-K114 HydrophobicContact CZ-CB 4.31Å; F64-K114 HydrophobicContact CZ-CG 4.07Å; I110-K114 WeakPolarHBondContact O-CB 3.35Å; I110-K114 PolarHBondContact O-N 3.38Å; Q111-K114 PolarHBondContact O-N 3.49Å; K114-V116 VanDerWaalsContact C-N 3.33Å; K114-V116 PolarHBondContact O-N 3.07Å; K114-C117 WeakPolarHBondContact O-CB 3.41Å; K114-C117 PolarHBondContact O-N 3.46Å; K114-C117 VanDerWaalsContact O-N 3.12Å; K114-D118 PolarHBondContact O-N 2.93Å; K114-L139 HydrophobicContact CB-CD2 4.44Å; K114-L139 HydrophobicContact CD-CD2 3.87Å; K114-E143 IonicContact NZ-OE1 3.92Å; K114-E143 PolarHBondContact NZ-OE1 2.9Å; K114-E143 IonicContact NZ-OE2 3.21Å; K114-E143 PolarHBondContact NZ-OE2 3.36Å
115A93.7Very high92.6Very high58 Ų5865.4 Ų65.448%0.47934%0.344SS..Hα-helixtrans-61.1-41.4179.500000112.3Q111 R112 C117 D118 S119Q111-A115 PolarHBondContact O-N 3.35Å; R112-A115 PolarHBondContact O-N 3.37Å; A115-C117 VanDerWaalsContact C-N 3.31Å; A115-C117 PolarHBondContact O-N 2.9Å; A115-D118 PolarHBondContact O-N 3.23Å; A115-S119 PolarHBondContact O-N 2.91Å; A115-S119 PolarHBondContact O-OG 2.93Å
116V92.4Very high92.5Very high30 Ų3068.9 Ų68.918%0.18237%0.371CS..Hα-helixtrans-60.9-39.2173.8170.60000111.7R112 L113 K114 S119 H120 D121 I123R112-V116 WeakPolarHBondContact O-CG2 3.48Å; R112-V116 PolarHBondContact O-N 3.39Å; L113-V116 PolarHBondContact O-N 3.42Å; K114-V116 VanDerWaalsContact C-N 3.33Å; K114-V116 PolarHBondContact O-N 3.07Å; V116-S119 PolarHBondContact O-OG 3.41Å; V116-S119 VanDerWaalsContact O-OG 3.05Å; V116-H120 PolarHBondContact O-N 3.06Å; V116-D121 HydrophobicContact CG1-CB 4.13Å; V116-D121 PolarHBondContact O-N 2.86Å; V116-I123 HydrophobicContact CG1-CG1 4.22Å
117C92.6Very high92.3Very high0 Ų067.4 Ų67.40%036%0.364CS..Hα-helixtrans-63.6-49.1173.7-730000111.7I63 F64 C82 L113 K114 A115 S119 H120I63-C117 WeakPolarHBondContact CD1-O 3.23Å; F64-C117 HydrophobicContact CD2-CB 4.46Å; F64-C117 HydrophobicContact CE2-CB 3.69Å; C82-C117 HydrophobicContact CB-CB 3.63Å; C82-C117 WeakPolarHBondContact CB-SG 3.26Å; C82-C117 WeakPolarHBondContact SG-CA 3.29Å; C82-C117 WeakPolarHBondContact SG-CB 3.46Å; C82-C117 CovalentContact SG-SG 2.02Å; C82-C117 PolarHBondContact SG-SG 2.94Å; L113-C117 PolarHBondContact O-N 3.06Å; L113-C117 PolarHBondContact O-SG 3.01Å; K114-C117 WeakPolarHBondContact O-CB 3.41Å; K114-C117 PolarHBondContact O-N 3.46Å; K114-C117 VanDerWaalsContact O-N 3.12Å; A115-C117 VanDerWaalsContact C-N 3.31Å; A115-C117 PolarHBondContact O-N 2.9Å; C117-S119 PolarHBondContact O-N 3.38Å; C117-H120 PolarHBondContact O-N 3.21Å
118D89.9Confident92.3Very high25 Ų2557.7 Ų57.713%0.13433%0.328CS..Hα-helixtrans-63.3-27.7-178.2-75.9-31.2000112.7L62 I63 F64 K114 A115 H120L62-D118 HydrophobicContact CD2-CB 3.7Å; I63-D118 WeakPolarHBondContact CA-OD1 3.32Å; I63-D118 WeakPolarHBondContact CB-OD1 3.25Å; I63-D118 PolarHBondContact N-OD1 3.07Å; F64-D118 WeakPolarHBondContact CD2-OD1 3.44Å; F64-D118 PolarHBondContact N-OD1 3.13Å; K114-D118 PolarHBondContact O-N 2.93Å; A115-D118 PolarHBondContact O-N 3.23Å; D118-H120 VanDerWaalsContact C-N 3.3Å
119S85.2Confident92.3Very high57 Ų5758.2 Ų58.240%0.39932%0.32SS..THydrogen-bonded Turntrans-81.8-1.8173.862.80000114.7A115 V116 C117 D121A115-S119 PolarHBondContact O-N 2.91Å; A115-S119 PolarHBondContact O-OG 2.93Å; V116-S119 PolarHBondContact O-OG 3.41Å; V116-S119 VanDerWaalsContact O-OG 3.05Å; C117-S119 PolarHBondContact O-N 3.38Å; S119-D121 WeakPolarHBondContact CB-OD2 3.45Å; S119-D121 PolarHBondContact O-N 3.37Å; S119-D121 VanDerWaalsContact OG-CG 3.24Å; S119-D121 PolarHBondContact OG-OD2 2.68Å
120H79.4Confident92.3Very high103 Ų10354.3 Ų54.348%0.47731%0.307SS..THydrogen-bonded Turntrans59.719.5-174.3-61-87.7000114.9Y75 V116 C117 D118Y75-H120 AromaticContact CE1-CE1 3.64Å; Y75-H120 AromaticContact CZ-CE1 3.43Å; Y75-H120 VanDerWaalsContact CZ-CE1 3.43Å; Y75-H120 AromaticContact CZ-NE2 3.91Å; Y75-H120 PolarHBondContact OH-CE1 3.24Å; Y75-H120 PolarHBondContact OH-NE2 3.37Å; V116-H120 PolarHBondContact O-N 3.06Å; C117-H120 PolarHBondContact O-N 3.21Å; D118-H120 VanDerWaalsContact C-N 3.3Å
121D77.4Confident92.3Very high100 Ų10057 Ų5754%0.53532%0.316SS..PPolyproline II helixtrans-75.6156.9178.9-70.7-40.3000112.3V116 S119 I123V116-D121 HydrophobicContact CG1-CB 4.13Å; V116-D121 PolarHBondContact O-N 2.86Å; S119-D121 WeakPolarHBondContact CB-OD2 3.45Å; S119-D121 PolarHBondContact O-N 3.37Å; S119-D121 VanDerWaalsContact OG-CG 3.24Å; S119-D121 PolarHBondContact OG-OD2 2.68Å; D121-I123 PolarHBondContact O-N 3.1Å
122S87.3Confident92.4Very high116 Ų11652.7 Ų52.781%0.81130%0.296SS*.PPolyproline II helixtrans-66.7132.4171.960.10000110.9D124S122-D124 PolarHBondContact O-N 3.49Å
123I91.1Very high92.5Very high28 Ų2847.7 Ų47.714%0.14428%0.277CS..PPolyproline II helixtrans-81.5120.1178.7-49.5161.9000110C82 L113 V116 D121 F125 F128C82-I123 HydrophobicContact CB-CD1 4.42Å; C82-I123 WeakPolarHBondContact SG-CD1 3.36Å; L113-I123 HydrophobicContact CD1-CB 4.45Å; L113-I123 HydrophobicContact CD1-CD1 4.26Å; L113-I123 HydrophobicContact CD1-CG1 4.12Å; L113-I123 HydrophobicContact CD1-CG2 3.52Å; V116-I123 HydrophobicContact CG1-CG1 4.22Å; D121-I123 PolarHBondContact O-N 3.1Å; I123-F125 HydrophobicContact CB-CD2 4.38Å; I123-F125 HydrophobicContact CB-CE2 4.02Å; I123-F125 HydrophobicContact CB-CZ 4.09Å; I123-F125 HydrophobicContact CD1-CE1 4.2Å; I123-F125 HydrophobicContact CD1-CE2 4.13Å; I123-F125 HydrophobicContact CD1-CZ 3.57Å; I123-F125 HydrophobicContact CG1-CZ 4.49Å; I123-F125 HydrophobicContact CG2-CD1 3.89Å; I123-F125 HydrophobicContact CG2-CD2 4.16Å; I123-F125 HydrophobicContact CG2-CE1 3.78Å; I123-F125 HydrophobicContact CG2-CE2 4.06Å; I123-F125 HydrophobicContact CG2-CG 4.08Å; I123-F125 HydrophobicContact CG2-CZ 3.87Å; I123-F125 PolarHBondContact O-N 3.3Å; I123-F128 HydrophobicContact CG2-CD2 4.28Å; I123-F128 HydrophobicContact CG2-CE2 4.12Å
124D93Very high92.6Very high100 Ų10047.7 Ų47.754%0.53528%0.277SS..  trans-84.596.9161.2175.124.4000110.6S122 A126 S127 F128S122-D124 PolarHBondContact O-N 3.49Å; D124-A126 PolarHBondContact O-N 3.08Å; D124-A126 VanDerWaalsContact OD1-CB 3.24Å; D124-A126 WeakPolarHBondContact OD1-CB 3.4Å; D124-A126 PolarHBondContact OD1-N 3.14Å; D124-S127 PolarHBondContact O-N 3.28Å; D124-S127 PolarHBondContact O-OG 2.97Å; D124-F128 VanDerWaalsContact O-CD2 3.23Å; D124-F128 WeakPolarHBondContact O-CD2 3.47Å; D124-F128 WeakPolarHBondContact O-CE2 3.33Å
125F95.1Very high92.7Very high40 Ų4047 Ų4718%0.17528%0.275CS..G310 helixtrans-65.7-19179-73.9-71.1000113.9S85 Y89 I123 S127 F128 V133S85-F125 WeakPolarHBondContact O-CZ 3.48Å; Y89-F125 AromaticContact CD1-CD1 3.8Å; Y89-F125 HydrophobicContact CD1-CD1 3.8Å; Y89-F125 HydrophobicContact CD1-CE1 4.14Å; Y89-F125 HydrophobicContact CD2-CB 3.76Å; Y89-F125 AromaticContact CD2-CD1 3.74Å; Y89-F125 HydrophobicContact CD2-CD1 3.74Å; Y89-F125 HydrophobicContact CD2-CD2 4.18Å; Y89-F125 HydrophobicContact CD2-CE1 4.39Å; Y89-F125 AromaticContact CD2-CG 3.62Å; Y89-F125 HydrophobicContact CD2-CG 3.62Å; Y89-F125 HydrophobicContact CE1-CD1 4.17Å; Y89-F125 HydrophobicContact CE2-CB 3.6Å; Y89-F125 HydrophobicContact CE2-CD1 4.17Å; Y89-F125 AromaticContact CE2-CG 3.99Å; Y89-F125 HydrophobicContact CE2-CG 3.99Å; Y89-F125 HydrophobicContact CG-CB 4.42Å; Y89-F125 AromaticContact CG-CD1 3.53Å; Y89-F125 HydrophobicContact CG-CD1 3.53Å; Y89-F125 HydrophobicContact CG-CD2 4.49Å; Y89-F125 AromaticContact CG-CE1 3.83Å; Y89-F125 HydrophobicContact CG-CE1 3.83Å; Y89-F125 AromaticContact CG-CG 3.9Å; Y89-F125 HydrophobicContact CG-CG 3.9Å; Y89-F125 HydrophobicContact CG-CZ 4.42Å; I123-F125 HydrophobicContact CB-CD2 4.38Å; I123-F125 HydrophobicContact CB-CE2 4.02Å; I123-F125 HydrophobicContact CB-CZ 4.09Å; I123-F125 HydrophobicContact CD1-CE1 4.2Å; I123-F125 HydrophobicContact CD1-CE2 4.13Å; I123-F125 HydrophobicContact CD1-CZ 3.57Å; I123-F125 HydrophobicContact CG1-CZ 4.49Å; I123-F125 HydrophobicContact CG2-CD1 3.89Å; I123-F125 HydrophobicContact CG2-CD2 4.16Å; I123-F125 HydrophobicContact CG2-CE1 3.78Å; I123-F125 HydrophobicContact CG2-CE2 4.06Å; I123-F125 HydrophobicContact CG2-CG 4.08Å; I123-F125 HydrophobicContact CG2-CZ 3.87Å; I123-F125 PolarHBondContact O-N 3.3Å; F125-S127 PolarHBondContact O-N 3Å; F125-S127 VanDerWaalsContact O-N 3.17Å; F125-F128 PolarHBondContact O-N 3.33Å; F125-F128 VanDerWaalsContact O-O 3.12Å; F125-V133 HydrophobicContact CD1-CG2 4.01Å; F125-V133 HydrophobicContact CE1-CG1 4.06Å; F125-V133 HydrophobicContact CE1-CG2 4.06Å
126A93.6Very high92.9Very high88 Ų8844.2 Ų44.273%0.72725%0.252SS*.G310 helixtrans-61.8-25.9176.900000111.9D124 F128D124-A126 PolarHBondContact O-N 3.08Å; D124-A126 VanDerWaalsContact OD1-CB 3.24Å; D124-A126 WeakPolarHBondContact OD1-CB 3.4Å; D124-A126 PolarHBondContact OD1-N 3.14Å; A126-F128 VanDerWaalsContact C-N 3.31Å; A126-F128 PolarHBondContact O-N 3.41Å
127S93.5Very high93.2Very high37 Ų3742.8 Ų42.826%0.25924%0.244SC..G310 helixtrans-82.80.3177.876.70000114.5R112 D124 F125R112-S127 PolarHBondContact NH1-OG 2.84Å; R112-S127 PolarHBondContact NH2-O 3.09Å; R112-S127 PolarHBondContact NH2-OG 3.42Å; R112-S127 VanDerWaalsContact NH2-OG 3.13Å; D124-S127 PolarHBondContact O-N 3.28Å; D124-S127 PolarHBondContact O-OG 2.97Å; F125-S127 PolarHBondContact O-N 3Å; F125-S127 VanDerWaalsContact O-N 3.17Å
128F96.5Very high93.4Very high4 Ų444.3 Ų44.32%0.01825%0.25CS..SBendtrans-130.5145.8-173.9-60-77.4000113.1Y89 R109 R112 L113 I123 D124 F125 A126 V133Y89-F128 PolarHBondContact OH-O 3.43Å; R109-F128 HydrophobicContact CB-CD1 4.15Å; R109-F128 HydrophobicContact CB-CE1 4.37Å; R109-F128 WeakPolarHBondContact O-CE1 3.39Å; R112-F128 HydrophobicContact CB-CE1 4.46Å; R112-F128 HydrophobicContact CG-CZ 4.4Å; R112-F128 VanDerWaalsContact NH2-CZ 3.32Å; L113-F128 HydrophobicContact CB-CD1 4.07Å; L113-F128 HydrophobicContact CB-CE1 3.51Å; L113-F128 HydrophobicContact CB-CE2 4.38Å; L113-F128 HydrophobicContact CB-CZ 3.67Å; L113-F128 HydrophobicContact CD1-CD2 4.38Å; L113-F128 HydrophobicContact CD1-CE2 3.92Å; L113-F128 HydrophobicContact CD1-CZ 4.01Å; L113-F128 HydrophobicContact CD2-CD1 4.37Å; L113-F128 HydrophobicContact CD2-CG 4.41Å; L113-F128 HydrophobicContact CG-CE1 4.42Å; L113-F128 HydrophobicContact CG-CZ 4.34Å; I123-F128 HydrophobicContact CG2-CD2 4.28Å; I123-F128 HydrophobicContact CG2-CE2 4.12Å; D124-F128 VanDerWaalsContact O-CD2 3.23Å; D124-F128 WeakPolarHBondContact O-CD2 3.47Å; D124-F128 WeakPolarHBondContact O-CE2 3.33Å; F125-F128 PolarHBondContact O-N 3.33Å; F125-F128 VanDerWaalsContact O-O 3.12Å; A126-F128 VanDerWaalsContact C-N 3.31Å; A126-F128 PolarHBondContact O-N 3.41Å; F128-V133 HydrophobicContact CB-CG2 4.01Å
129Q96.9Very high93.7Very high94 Ų9443.4 Ų43.444%0.43925%0.245SC..  trans-89.6156.8171.2-59.2-65.3-53.700110.6W131 D132 V133Q129-W131 HydrophobicContact CB-CE3 3.99Å; Q129-W131 HydrophobicContact CB-CZ3 4.45Å; Q129-W131 PolarHBondContact O-N 2.85Å; Q129-D132 WeakPolarHBondContact CB-OD2 3.35Å; Q129-D132 PolarHBondContact N-OD2 3.35Å; Q129-D132 WeakPolarHBondContact O-CA 3.38Å; Q129-D132 VanDerWaalsContact O-CB 3.29Å; Q129-D132 WeakPolarHBondContact O-CB 3.3Å; Q129-D132 PolarHBondContact O-N 2.98Å; Q129-V133 PolarHBondContact O-N 3.13Å
130V97.9Very high94.3Very high11 Ų1140.7 Ų40.77%0.06723%0.226CC..Hα-helixtrans-58.7-35.6-178.4-175.50000112.2Y89 V90 N93 S97 V100 D132 V133 A134Y89-V130 HydrophobicContact CE1-CB 4.45Å; Y89-V130 HydrophobicContact CE1-CG2 3.88Å; V90-V130 HydrophobicContact CG2-CG1 4.3Å; N93-V130 HydrophobicContact CB-CG1 4.25Å; N93-V130 HydrophobicContact CB-CG2 3.51Å; S97-V130 WeakPolarHBondContact OG-CB 3.42Å; S97-V130 WeakPolarHBondContact OG-CG1 3.45Å; S97-V130 WeakPolarHBondContact OG-CG2 3.49Å; V100-V130 HydrophobicContact CG2-CG1 4.01Å; V130-D132 VanDerWaalsContact C-N 3.33Å; V130-D132 PolarHBondContact O-N 3.36Å; V130-V133 PolarHBondContact O-N 2.83Å; V130-A134 VanDerWaalsContact O-CB 3.26Å; V130-A134 WeakPolarHBondContact O-CB 3.31Å; V130-A134 PolarHBondContact O-N 3.48Å
131W98.3Very high95.2Very high72 Ų7235.9 Ų35.927%0.27320%0.204SC..Hα-helixtrans-66.6-32.5175.3-54.4-80000113V98 K103 Q129 D135V98-W131 PolarHBondContact O-NE1 3.31Å; K103-W131 HydrophobicContact CB-CG 4.41Å; Q129-W131 HydrophobicContact CB-CE3 3.99Å; Q129-W131 HydrophobicContact CB-CZ3 4.45Å; Q129-W131 PolarHBondContact O-N 2.85Å; W131-D135 WeakPolarHBondContact O-CB 3.22Å; W131-D135 PolarHBondContact O-N 2.86Å; W131-D135 VanDerWaalsContact O-N 3.08Å
132D98Very high96.1Very high2 Ų238.5 Ų38.51%0.01121%0.206CC..Hα-helixtrans-64.8-47.9174.5-53.7-34.7000109.8G105 V106 R109 I110 Q129 V130 D135 V136G105-D132 WeakPolarHBondContact CA-OD1 3.47Å; V106-D132 PolarHBondContact N-OD1 2.84Å; R109-D132 HydrophobicContact CB-CB 4.27Å; R109-D132 WeakPolarHBondContact CD-OD2 3.49Å; R109-D132 IonicContact NH1-OD2 3.73Å; I110-D132 HydrophobicContact CG1-CB 4.38Å; Q129-D132 WeakPolarHBondContact CB-OD2 3.35Å; Q129-D132 PolarHBondContact N-OD2 3.35Å; Q129-D132 WeakPolarHBondContact O-CA 3.38Å; Q129-D132 VanDerWaalsContact O-CB 3.29Å; Q129-D132 WeakPolarHBondContact O-CB 3.3Å; Q129-D132 PolarHBondContact O-N 2.98Å; V130-D132 VanDerWaalsContact C-N 3.33Å; V130-D132 PolarHBondContact O-N 3.36Å; D132-D135 PolarHBondContact O-N 2.77Å; D132-V136 WeakPolarHBondContact O-CG2 3.38Å; D132-V136 PolarHBondContact O-N 2.9Å; D132-V136 VanDerWaalsContact O-N 3.08Å
133V98.3Very high96.4Very high0 Ų036 Ų360%018%0.182CC..Hα-helixtrans-66.2-42.6-179.7-176.20000111.5C86 Y89 V90 L113 F125 F128 Q129 V130 D135 V136 I137C86-V133 HydrophobicContact CB-CG1 3.49Å; C86-V133 VanDerWaalsContact CB-CG1 3.49Å; Y89-V133 HydrophobicContact CD1-CB 3.96Å; Y89-V133 HydrophobicContact CD1-CG1 3.98Å; Y89-V133 HydrophobicContact CD1-CG2 3.65Å; Y89-V133 HydrophobicContact CE1-CB 4.35Å; Y89-V133 HydrophobicContact CE1-CG2 3.73Å; V90-V133 HydrophobicContact CG2-CB 4.23Å; V90-V133 HydrophobicContact CG2-CG1 3.9Å; L113-V133 HydrophobicContact CD2-CB 4.37Å; L113-V133 HydrophobicContact CD2-CG2 3.91Å; F125-V133 HydrophobicContact CD1-CG2 4.01Å; F125-V133 HydrophobicContact CE1-CG1 4.06Å; F125-V133 HydrophobicContact CE1-CG2 4.06Å; F128-V133 HydrophobicContact CB-CG2 4.01Å; Q129-V133 PolarHBondContact O-N 3.13Å; V130-V133 PolarHBondContact O-N 2.83Å; V133-D135 VanDerWaalsContact C-N 3.31Å; V133-D135 PolarHBondContact O-N 2.91Å; V133-V136 PolarHBondContact O-N 3.47Å; V133-I137 WeakPolarHBondContact O-CG1 3.48Å; V133-I137 PolarHBondContact O-N 2.99Å; V133-I137 VanDerWaalsContact O-N 3.1Å
134A98.4Very high96.6Very high0 Ų035.3 Ų35.30%018%0.179CC..Hα-helixtrans-59.8-40175.900000112.4V90 V100 F101 V130 I137 K138V90-A134 HydrophobicContact CG2-CB 4.36Å; V100-A134 HydrophobicContact CG2-CB 3.8Å; F101-A134 HydrophobicContact CD1-CB 3.59Å; F101-A134 HydrophobicContact CE1-CB 3.63Å; F101-A134 WeakPolarHBondContact CE1-O 3.5Å; F101-A134 HydrophobicContact CG-CB 4.24Å; F101-A134 HydrophobicContact CZ-CB 4.34Å; V130-A134 VanDerWaalsContact O-CB 3.26Å; V130-A134 WeakPolarHBondContact O-CB 3.31Å; V130-A134 PolarHBondContact O-N 3.48Å; A134-I137 PolarHBondContact O-N 3.01Å; A134-K138 PolarHBondContact O-N 3.35Å
135D98.2Very high96.6Very high21 Ų2134.7 Ų34.711%0.11218%0.18CC..Hα-helixtrans-70.9-32.6176.3-85.6-7.5000112.7S104 G105 I110 W131 D132 V133 K138 L139S104-D135 VanDerWaalsContact CA-OD2 3.28Å; S104-D135 WeakPolarHBondContact CA-OD2 3.36Å; G105-D135 PolarHBondContact N-OD2 3.45Å; I110-D135 HydrophobicContact CD1-CB 3.5Å; I110-D135 WeakPolarHBondContact CD1-OD2 3.41Å; I110-D135 HydrophobicContact CG1-CB 3.95Å; W131-D135 WeakPolarHBondContact O-CB 3.22Å; W131-D135 PolarHBondContact O-N 2.86Å; W131-D135 VanDerWaalsContact O-N 3.08Å; D132-D135 PolarHBondContact O-N 2.77Å; V133-D135 VanDerWaalsContact C-N 3.31Å; V133-D135 PolarHBondContact O-N 2.91Å; D135-K138 PolarHBondContact O-N 3.43Å; D135-K138 WeakPolarHBondContact OD1-CE 3.47Å; D135-K138 IonicContact OD1-NZ 3.25Å; D135-K138 PolarHBondContact OD1-NZ 2.9Å; D135-L139 VanDerWaalsContact O-CB 3.28Å; D135-L139 WeakPolarHBondContact O-CB 3.49Å; D135-L139 PolarHBondContact O-N 2.82Å
136V97.9Very high96.4Very high0 Ų035.7 Ų35.70%019%0.185CC..Hα-helixtrans-64-39.9172170.10000111.8F64 I110 L113 D132 V133 L139 Y140F64-V136 HydrophobicContact CE1-CG1 4.49Å; F64-V136 HydrophobicContact CZ-CG1 3.8Å; I110-V136 HydrophobicContact CB-CG2 4.28Å; I110-V136 HydrophobicContact CG2-CG2 3.75Å; L113-V136 HydrophobicContact CB-CG2 3.91Å; L113-V136 HydrophobicContact CD2-CB 4.08Å; L113-V136 HydrophobicContact CD2-CG1 4.3Å; L113-V136 HydrophobicContact CD2-CG2 3.75Å; L113-V136 HydrophobicContact CG-CB 4.42Å; L113-V136 HydrophobicContact CG-CG1 4.21Å; L113-V136 HydrophobicContact CG-CG2 3.9Å; D132-V136 WeakPolarHBondContact O-CG2 3.38Å; D132-V136 PolarHBondContact O-N 2.9Å; D132-V136 VanDerWaalsContact O-N 3.08Å; V133-V136 PolarHBondContact O-N 3.47Å; V136-L139 WeakPolarHBondContact O-CB 3.34Å; V136-L139 PolarHBondContact O-N 3.41Å; V136-Y140 PolarHBondContact O-N 2.97Å
137I98.3Very high96.5Very high0 Ų032.3 Ų32.30%016%0.156CC..Hα-helixtrans-60.4-49174.7-63.4166.8000110.1C86 M87 V90 F101 V133 A134 L139 Y140 F141 L194C86-I137 HydrophobicContact CB-CD1 4.15Å; C86-I137 HydrophobicContact CB-CG1 3.88Å; M87-I137 HydrophobicContact CE-CG2 4.1Å; M87-I137 HydrophobicContact CG-CD1 4.08Å; M87-I137 HydrophobicContact CG-CG1 4.48Å; V90-I137 HydrophobicContact CB-CD1 4.44Å; V90-I137 HydrophobicContact CG2-CD1 3.84Å; F101-I137 HydrophobicContact CE1-CB 4.4Å; F101-I137 HydrophobicContact CE1-CD1 4.33Å; F101-I137 HydrophobicContact CZ-CD1 4.39Å; V133-I137 WeakPolarHBondContact O-CG1 3.48Å; V133-I137 PolarHBondContact O-N 2.99Å; V133-I137 VanDerWaalsContact O-N 3.1Å; A134-I137 PolarHBondContact O-N 3.01Å; I137-L139 VanDerWaalsContact C-N 3.3Å; I137-L139 PolarHBondContact O-N 2.9Å; I137-Y140 PolarHBondContact O-N 3.18Å; I137-F141 HydrophobicContact CG2-CD2 4.03Å; I137-F141 HydrophobicContact CG2-CE2 3.74Å; I137-F141 WeakPolarHBondContact O-CD2 3.45Å; I137-F141 PolarHBondContact O-N 3.48Å; I137-L194 HydrophobicContact CD1-CD2 4.11Å
138K97.7Very high96.7Very high32 Ų3230.5 Ų30.514%0.13914%0.143CC..Hα-helixtrans-60.3-40.5175.2-73.4-174.9-61.6178.60111.9F101 A134 D135 F141 R142 F216 T219F101-K138 HydrophobicContact CD1-CD 4.36Å; F101-K138 HydrophobicContact CD1-CG 4.22Å; F101-K138 PolarHBondContact O-NZ 2.93Å; A134-K138 PolarHBondContact O-N 3.35Å; D135-K138 PolarHBondContact O-N 3.43Å; D135-K138 WeakPolarHBondContact OD1-CE 3.47Å; D135-K138 IonicContact OD1-NZ 3.25Å; D135-K138 PolarHBondContact OD1-NZ 2.9Å; K138-F141 PolarHBondContact O-N 3.21Å; K138-R142 WeakPolarHBondContact O-CB 3.39Å; K138-R142 PolarHBondContact O-N 3.21Å; K138-F216 HydrophobicContact CD-CE2 4.44Å; K138-F216 HydrophobicContact CD-CZ 4.32Å; K138-F216 HydrophobicContact CG-CD1 4.34Å; K138-F216 HydrophobicContact CG-CE1 3.68Å; K138-F216 HydrophobicContact CG-CE2 4.19Å; K138-F216 HydrophobicContact CG-CZ 3.6Å; K138-T219 WeakPolarHBondContact O-CG2 3.49Å
139L96.8Very high96.7Very high6 Ų630.3 Ų30.33%0.03114%0.143CC..Hα-helixtrans-60.6-45.2178.7-178.563.7000111.3F64 I110 K114 D135 V136 I137 F141 R142 E143F64-L139 HydrophobicContact CD1-CG 4.28Å; F64-L139 HydrophobicContact CE1-CB 4.27Å; F64-L139 HydrophobicContact CE1-CD2 4.2Å; F64-L139 HydrophobicContact CE1-CG 3.99Å; I110-L139 HydrophobicContact CG2-CD2 4.04Å; K114-L139 HydrophobicContact CB-CD2 4.44Å; K114-L139 HydrophobicContact CD-CD2 3.87Å; D135-L139 VanDerWaalsContact O-CB 3.28Å; D135-L139 WeakPolarHBondContact O-CB 3.49Å; D135-L139 PolarHBondContact O-N 2.82Å; V136-L139 WeakPolarHBondContact O-CB 3.34Å; V136-L139 PolarHBondContact O-N 3.41Å; I137-L139 VanDerWaalsContact C-N 3.3Å; I137-L139 PolarHBondContact O-N 2.9Å; L139-F141 PolarHBondContact O-N 3.38Å; L139-R142 PolarHBondContact O-N 2.95Å; L139-E143 HydrophobicContact CD1-CG 4.05Å; L139-E143 WeakPolarHBondContact CD1-OE1 3.23Å; L139-E143 HydrophobicContact CG-CG 4.47Å; L139-E143 WeakPolarHBondContact O-CG 3.45Å; L139-E143 PolarHBondContact O-N 3.37Å
140Y97.5Very high96.6Very high0 Ų026 Ų260%012%0.123CC..Hα-helixtrans-56.3-52.1178173-102.9000111.3I63 F64 L68 L79 P80 I83 V136 I137 R142 E143 L144I63-Y140 HydrophobicContact CG2-CD2 4.4Å; I63-Y140 HydrophobicContact CG2-CE2 4.02Å; F64-Y140 HydrophobicContact CD1-CD2 4.36Å; F64-Y140 VanDerWaalsContact CE1-CA 3.45Å; F64-Y140 HydrophobicContact CE1-CD2 4.35Å; F64-Y140 HydrophobicContact CZ-CD2 4.46Å; L68-Y140 HydrophobicContact CD2-CE1 4.46Å; L68-Y140 WeakPolarHBondContact CD2-OH 3.44Å; L79-Y140 HydrophobicContact CD1-CD1 4.3Å; L79-Y140 HydrophobicContact CD1-CE1 3.6Å; P80-Y140 VanDerWaalsContact CD-OH 3.25Å; P80-Y140 WeakPolarHBondContact CD-OH 3.49Å; P80-Y140 HydrophobicContact CG-CE2 3.98Å; I83-Y140 HydrophobicContact CD1-CD1 4.44Å; I83-Y140 HydrophobicContact CD1-CD2 3.94Å; I83-Y140 HydrophobicContact CD1-CG 3.77Å; I83-Y140 HydrophobicContact CG1-CD1 4.11Å; I83-Y140 HydrophobicContact CG1-CD2 3.84Å; I83-Y140 HydrophobicContact CG1-CE1 4.41Å; I83-Y140 HydrophobicContact CG1-CE2 4.17Å; I83-Y140 HydrophobicContact CG1-CG 3.8Å; I83-Y140 HydrophobicContact CG2-CD1 4.11Å; I83-Y140 HydrophobicContact CG2-CG 4.49Å; V136-Y140 PolarHBondContact O-N 2.97Å; I137-Y140 PolarHBondContact O-N 3.18Å; Y140-R142 VanDerWaalsContact C-N 3.29Å; Y140-R142 PolarHBondContact O-N 2.85Å; Y140-E143 PolarHBondContact O-N 3.31Å; Y140-L144 HydrophobicContact CE1-CD2 4.32Å; Y140-L144 HydrophobicContact CE2-CD2 4.47Å; Y140-L144 PolarHBondContact O-N 2.84Å
141F97.8Very high96.1Very high2 Ų228.6 Ų28.61%0.00914%0.136CC..Hα-helixtrans-63.9-34.2178.8-73.1-65.5000113.4L79 M87 I137 K138 L139 E143 L144 L148 V187 L191 T219 L220L79-F141 HydrophobicContact CD1-CZ 4.42Å; M87-F141 HydrophobicContact CE-CE2 3.67Å; M87-F141 HydrophobicContact CE-CZ 3.71Å; I137-F141 HydrophobicContact CG2-CD2 4.03Å; I137-F141 HydrophobicContact CG2-CE2 3.74Å; I137-F141 WeakPolarHBondContact O-CD2 3.45Å; I137-F141 PolarHBondContact O-N 3.48Å; K138-F141 PolarHBondContact O-N 3.21Å; L139-F141 PolarHBondContact O-N 3.38Å; F141-E143 VanDerWaalsContact C-N 3.34Å; F141-L144 HydrophobicContact CD1-CD1 3.91Å; F141-L148 HydrophobicContact CD1-CB 4.38Å; F141-L148 HydrophobicContact CD1-CD2 4.07Å; F141-L148 HydrophobicContact CE1-CD1 4.4Å; F141-L148 HydrophobicContact CE1-CD2 3.82Å; F141-V187 HydrophobicContact CE1-CG1 3.44Å; F141-V187 VanDerWaalsContact CE1-CG1 3.44Å; F141-V187 HydrophobicContact CZ-CG1 3.84Å; F141-L191 HydrophobicContact CD2-CD1 4.47Å; F141-L191 HydrophobicContact CD2-CD2 4.1Å; F141-L191 HydrophobicContact CE1-CD2 4.28Å; F141-L191 HydrophobicContact CE2-CB 4.45Å; F141-L191 HydrophobicContact CE2-CD1 3.82Å; F141-L191 HydrophobicContact CE2-CD2 3.81Å; F141-L191 HydrophobicContact CE2-CG 4.24Å; F141-L191 HydrophobicContact CG-CD2 4.48Å; F141-L191 HydrophobicContact CZ-CB 4.14Å; F141-L191 HydrophobicContact CZ-CD1 4.36Å; F141-L191 HydrophobicContact CZ-CD2 3.91Å; F141-L191 HydrophobicContact CZ-CG 4.37Å; F141-T219 HydrophobicContact CB-CG2 3.53Å; F141-L220 HydrophobicContact CB-CD2 3.96Å; F141-L220 HydrophobicContact CD1-CD2 4.16Å; F141-L220 HydrophobicContact CG-CD2 3.97Å
142R95.3Very high95.5Very high155 Ų15526.4 Ų26.459%0.58513%0.132SC*.Hα-helixtrans-70.9-30177.9-170.2174.466.3-163.52.5112.8K138 L139 Y140 T219K138-R142 WeakPolarHBondContact O-CB 3.39Å; K138-R142 PolarHBondContact O-N 3.21Å; L139-R142 PolarHBondContact O-N 2.95Å; Y140-R142 VanDerWaalsContact C-N 3.29Å; Y140-R142 PolarHBondContact O-N 2.85Å; R142-T219 HydrophobicContact CB-CG2 4.02Å
143E94.7Very high95.3Very high63 Ų6326.4 Ų26.429%0.29413%0.132SC..Hα-helixtrans-88.8-5.4-179-70.4-172171.200113.1F64 G65 K114 L139 Y140 F141F64-E143 WeakPolarHBondContact CB-OE2 3.33Å; F64-E143 WeakPolarHBondContact CD1-OE2 3.36Å; G65-E143 VanDerWaalsContact CA-O 3.31Å; G65-E143 WeakPolarHBondContact CA-O 3.12Å; K114-E143 IonicContact NZ-OE1 3.92Å; K114-E143 PolarHBondContact NZ-OE1 2.9Å; K114-E143 IonicContact NZ-OE2 3.21Å; K114-E143 PolarHBondContact NZ-OE2 3.36Å; L139-E143 HydrophobicContact CD1-CG 4.05Å; L139-E143 WeakPolarHBondContact CD1-OE1 3.23Å; L139-E143 HydrophobicContact CG-CG 4.47Å; L139-E143 WeakPolarHBondContact O-CG 3.45Å; L139-E143 PolarHBondContact O-N 3.37Å; Y140-E143 PolarHBondContact O-N 3.31Å; F141-E143 VanDerWaalsContact C-N 3.34Å
144L94.9Very high95.1Very high15 Ų1526.4 Ų26.48%0.07913%0.132CC..SBendtrans-55.4137.9171.4-68176.3000110.9L68 Y140 F141 E146L68-L144 HydrophobicContact CD2-CD1 4.27Å; L68-L144 HydrophobicContact CD2-CD2 3.81Å; L68-L144 HydrophobicContact CG-CD1 4.4Å; L68-L144 HydrophobicContact CG-CD2 4.2Å; Y140-L144 HydrophobicContact CE1-CD2 4.32Å; Y140-L144 HydrophobicContact CE2-CD2 4.47Å; Y140-L144 PolarHBondContact O-N 2.84Å; F141-L144 HydrophobicContact CD1-CD1 3.91Å; L144-E146 VanDerWaalsContact CB-O 3.32Å; L144-E146 WeakPolarHBondContact CB-O 3.5Å; L144-E146 PolarHBondContact O-N 3.38Å; L144-E146 VanDerWaalsContact O-N 3.13Å
145P92.4Very high94.7Very high87 Ų8728.7 Ų28.757%0.56514%0.142SC*.SBendtrans-59.5-25.9179.3-30.639.3000114.6G65 P67G65-P145 WeakPolarHBondContact O-CD 3.36Å; G65-P145 WeakPolarHBondContact O-CG 3.45Å; P67-P145 HydrophobicContact CG-CG 3.97Å
146E92.7Very high94.4Very high61 Ų6127.7 Ų27.729%0.28514%0.137SC..SBendtrans-132.9140.4171-178.4170.1-140.900108.2L144 N151L144-E146 VanDerWaalsContact CB-O 3.32Å; L144-E146 WeakPolarHBondContact CB-O 3.5Å; L144-E146 PolarHBondContact O-N 3.38Å; L144-E146 VanDerWaalsContact O-N 3.13Å; E146-N151 WeakPolarHBondContact CG-ND2 3.42Å; E146-N151 WeakPolarHBondContact OE1-CB 3.28Å; E146-N151 PolarHBondContact OE1-N 2.87Å; E146-N151 PolarHBondContact OE1-ND2 3.33Å
147P95.2Very high94.4Very high16 Ų1627.7 Ų27.710%0.10414%0.137CC..  trans-55.8151.4177.7-2736.4000112.3L149 T150 L220P147-L149 PolarHBondContact O-N 3.29Å; P147-L149 VanDerWaalsContact O-N 3.13Å; P147-T150 WeakPolarHBondContact O-CA 3.42Å; P147-T150 PolarHBondContact O-N 2.98Å; P147-L220 WeakPolarHBondContact CB-O 3.17Å
148L97.3Very high94.2Very high0 Ų028 Ų280%014%0.139CC..THydrogen-bonded Turntrans-54.9-37-177-178.961.9000112.9L68 F141 T150 N184 V187 L188 L191 L220L68-L148 HydrophobicContact CD1-CD1 3.84Å; F141-L148 HydrophobicContact CD1-CB 4.38Å; F141-L148 HydrophobicContact CD1-CD2 4.07Å; F141-L148 HydrophobicContact CE1-CD1 4.4Å; F141-L148 HydrophobicContact CE1-CD2 3.82Å; L148-T150 PolarHBondContact O-N 3.43Å; L148-N184 HydrophobicContact CD1-CB 4.39Å; L148-N184 PolarHBondContact O-ND2 3.08Å; L148-V187 HydrophobicContact CD1-CB 3.9Å; L148-V187 HydrophobicContact CD1-CG1 3.69Å; L148-V187 HydrophobicContact CD2-CG1 4.34Å; L148-L188 HydrophobicContact CD2-CB 4.19Å; L148-L188 HydrophobicContact CD2-CD1 3.94Å; L148-L188 HydrophobicContact CG-CB 4.47Å; L148-L191 HydrophobicContact CD2-CD2 3.9Å; L148-L220 HydrophobicContact CB-CD2 4.05Å; L148-L220 HydrophobicContact CD2-CD2 3.96Å
149L96.6Very high94Very high0 Ų027.5 Ų27.50%014%0.136CC..THydrogen-bonded Turntrans-86.511.4177.9-64.6176.6000113.8P147 L153 S154 F157 L180 L188 L220 F221 M261P147-L149 PolarHBondContact O-N 3.29Å; P147-L149 VanDerWaalsContact O-N 3.13Å; L149-L153 CarbonylContact O-C 3.54Å; L149-L153 WeakPolarHBondContact O-CB 3.41Å; L149-S154 PolarHBondContact O-N 2.82Å; L149-F157 HydrophobicContact CB-CD2 4.25Å; L149-F157 HydrophobicContact CB-CE2 4.2Å; L149-F157 HydrophobicContact CD1-CD2 4.27Å; L149-F157 HydrophobicContact CD1-CE2 4.48Å; L149-F157 HydrophobicContact CD2-CD2 4.37Å; L149-F157 HydrophobicContact CD2-CE2 3.78Å; L149-F157 HydrophobicContact CD2-CZ 4.17Å; L149-F157 HydrophobicContact CG-CE2 4.38Å; L149-L180 HydrophobicContact CD2-CD1 4.02Å; L149-L180 HydrophobicContact CD2-CD2 4.45Å; L149-L188 HydrophobicContact CD2-CD1 3.83Å; L149-L188 HydrophobicContact CD2-CD2 3.61Å; L149-L188 HydrophobicContact CD2-CG 4.32Å; L149-L220 WeakPolarHBondContact CB-O 3.33Å; L149-L220 HydrophobicContact CD1-CB 4.42Å; L149-L220 PolarHBondContact N-O 3.43Å; L149-L220 VanDerWaalsContact N-O 3.11Å; L149-F221 HydrophobicContact CD1-CD1 3.66Å; L149-F221 HydrophobicContact CD1-CD2 3.75Å; L149-F221 HydrophobicContact CD1-CE1 3.27Å; L149-F221 HydrophobicContact CD1-CE2 3.36Å; L149-F221 HydrophobicContact CD1-CG 3.9Å; L149-F221 HydrophobicContact CD1-CZ 3.11Å; L149-M261 HydrophobicContact CD1-CE 4.46Å
150T94.3Very high93.9Very high4 Ų427.2 Ų27.23%0.02514%0.135CC..  trans59.7158.4-178.775.70000113.9P147 L148 S152 L153 S154 L180 P181P147-T150 WeakPolarHBondContact O-CA 3.42Å; P147-T150 PolarHBondContact O-N 2.98Å; L148-T150 PolarHBondContact O-N 3.43Å; T150-S152 VanDerWaalsContact C-N 3.3Å; T150-S152 PolarHBondContact O-N 3.3Å; T150-S152 PolarHBondContact OG1-OG 2.92Å; T150-L153 WeakPolarHBondContact OG1-CB 3.32Å; T150-L153 PolarHBondContact OG1-N 2.77Å; T150-L153 VanDerWaalsContact OG1-N 3.11Å; T150-S154 VanDerWaalsContact O-CB 3.26Å; T150-S154 WeakPolarHBondContact O-CB 3.41Å; T150-S154 PolarHBondContact O-N 3.39Å; T150-S154 VanDerWaalsContact O-N 3.12Å; T150-S154 PolarHBondContact O-OG 2.83Å; T150-L180 HydrophobicContact CG2-CD2 4.06Å; T150-P181 HydrophobicContact CG2-CG 4.08Å
151N88.3Confident93.8Very high65 Ų6527.8 Ų27.835%0.34814%0.139SC..Hα-helixtrans-65.9-36.7177.2-65.8-50.3000111.9E146 Y222E146-N151 WeakPolarHBondContact CG-ND2 3.42Å; E146-N151 WeakPolarHBondContact OE1-CB 3.28Å; E146-N151 PolarHBondContact OE1-N 2.87Å; E146-N151 PolarHBondContact OE1-ND2 3.33Å; N151-Y222 WeakPolarHBondContact OD1-CD2 3.24Å; N151-Y222 VanDerWaalsContact OD1-CG 3.32Å
152S84.8Confident93.7Very high26 Ų2631 Ų3118%0.18216%0.155CC..Hα-helixtrans-78.7-38.6-175.453.10000113.2T150T150-S152 VanDerWaalsContact C-N 3.3Å; T150-S152 PolarHBondContact O-N 3.3Å; T150-S152 PolarHBondContact OG1-OG 2.92Å
153L93.4Very high93.6Very high1 Ų126.6 Ų26.61%0.00514%0.14CC..Hα-helixtrans-88.5-22.4-177.8-71.6164.4000113.2L149 T150 E155 T156 F157 L179 L180L149-L153 CarbonylContact O-C 3.54Å; L149-L153 WeakPolarHBondContact O-CB 3.41Å; T150-L153 WeakPolarHBondContact OG1-CB 3.32Å; T150-L153 PolarHBondContact OG1-N 2.77Å; T150-L153 VanDerWaalsContact OG1-N 3.11Å; L153-E155 VanDerWaalsContact C-N 3.28Å; L153-E155 PolarHBondContact O-N 3.42Å; L153-T156 WeakPolarHBondContact O-CA 3.16Å; L153-T156 VanDerWaalsContact O-CB 3.29Å; L153-T156 WeakPolarHBondContact O-CB 3.39Å; L153-T156 PolarHBondContact O-N 3.17Å; L153-F157 HydrophobicContact CB-CD2 4.39Å; L153-F157 HydrophobicContact CB-CE2 4.01Å; L153-F157 WeakPolarHBondContact O-CD2 3.34Å; L153-F157 PolarHBondContact O-N 3.21Å; L153-L179 HydrophobicContact CD1-CB 4.09Å; L153-L179 WeakPolarHBondContact CD1-O 3.02Å; L153-L179 HydrophobicContact CD2-CB 4.04Å; L153-L179 HydrophobicContact CD2-CD1 4.47Å; L153-L180 HydrophobicContact CB-CD2 4.27Å; L153-L180 HydrophobicContact CD1-CB 4.41Å; L153-L180 HydrophobicContact CD1-CD2 3.63Å; L153-L180 HydrophobicContact CD1-CG 3.96Å
154S93.8Very high93.6Very high0 Ų024 Ų240%013%0.129CC..Hα-helixtrans-49.6-51.7171.5-69.40000111.1L149 T150 T156 F157 L158 Y222L149-S154 PolarHBondContact O-N 2.82Å; T150-S154 VanDerWaalsContact O-CB 3.26Å; T150-S154 WeakPolarHBondContact O-CB 3.41Å; T150-S154 PolarHBondContact O-N 3.39Å; T150-S154 VanDerWaalsContact O-N 3.12Å; T150-S154 PolarHBondContact O-OG 2.83Å; S154-T156 VanDerWaalsContact C-N 3.27Å; S154-T156 PolarHBondContact O-N 3.05Å; S154-F157 PolarHBondContact O-N 3.5Å; S154-F157 VanDerWaalsContact O-N 3.13Å; S154-L158 WeakPolarHBondContact O-CD1 3.45Å; S154-L158 PolarHBondContact O-N 2.98Å; S154-Y222 PolarHBondContact OG-N 3.49Å
155E90.6Very high93.6Very high48 Ų4826.5 Ų26.522%0.22415%0.146CC..Hα-helixtrans-57.2-39.9177-177179.3-124.400112.5L153 F157 L158 Y159L153-E155 VanDerWaalsContact C-N 3.28Å; L153-E155 PolarHBondContact O-N 3.42Å; E155-F157 PolarHBondContact O-N 2.96Å; E155-L158 PolarHBondContact O-N 3.04Å; E155-Y159 VanDerWaalsContact CD-CE2 3.42Å; E155-Y159 VanDerWaalsContact CD-OH 3.3Å; E155-Y159 HydrophobicContact CG-CD1 4.42Å; E155-Y159 HydrophobicContact CG-CD2 3.81Å; E155-Y159 HydrophobicContact CG-CE1 3.97Å; E155-Y159 HydrophobicContact CG-CE2 3.22Å; E155-Y159 HydrophobicContact CG-CG 4.37Å; E155-Y159 WeakPolarHBondContact O-CB 3.26Å; E155-Y159 VanDerWaalsContact O-CG 3.28Å; E155-Y159 PolarHBondContact O-N 3.33Å; E155-Y159 PolarHBondContact OE1-OH 3.16Å
156T93.2Very high93.7Very high1 Ų128.4 Ų28.41%0.00615%0.147CC..Hα-helixtrans-62.2-44.2177.9-55.70000111.2L22 L26 V42 L153 S154 L158 Y159 I160 A176L22-T156 HydrophobicContact CD1-CG2 4.25Å; L26-T156 HydrophobicContact CD1-CG2 4.09Å; V42-T156 HydrophobicContact CG2-CG2 4.16Å; V42-T156 WeakPolarHBondContact CG2-OG1 3.24Å; L153-T156 WeakPolarHBondContact O-CA 3.16Å; L153-T156 VanDerWaalsContact O-CB 3.29Å; L153-T156 WeakPolarHBondContact O-CB 3.39Å; L153-T156 PolarHBondContact O-N 3.17Å; S154-T156 VanDerWaalsContact C-N 3.27Å; S154-T156 PolarHBondContact O-N 3.05Å; T156-L158 PolarHBondContact O-N 3.5Å; T156-Y159 PolarHBondContact O-N 3.44Å; T156-I160 HydrophobicContact CG2-CD1 4.16Å; T156-I160 WeakPolarHBondContact O-CD1 3.3Å; T156-I160 VanDerWaalsContact O-CG1 3.23Å; T156-I160 WeakPolarHBondContact O-CG1 3.04Å; T156-I160 PolarHBondContact O-N 3.24Å; T156-A176 HydrophobicContact CG2-CB 4.35Å
157F96Very high93.7Very high0 Ų036.5 Ų36.50%018%0.175CC..Hα-helixtrans-64.9-37.9176.5-69.8-69.5000113L149 L153 S154 E155 S161 I173 A176 V177 L180 F221 A257 M261L149-F157 HydrophobicContact CB-CD2 4.25Å; L149-F157 HydrophobicContact CB-CE2 4.2Å; L149-F157 HydrophobicContact CD1-CD2 4.27Å; L149-F157 HydrophobicContact CD1-CE2 4.48Å; L149-F157 HydrophobicContact CD2-CD2 4.37Å; L149-F157 HydrophobicContact CD2-CE2 3.78Å; L149-F157 HydrophobicContact CD2-CZ 4.17Å; L149-F157 HydrophobicContact CG-CE2 4.38Å; L153-F157 HydrophobicContact CB-CD2 4.39Å; L153-F157 HydrophobicContact CB-CE2 4.01Å; L153-F157 WeakPolarHBondContact O-CD2 3.34Å; L153-F157 PolarHBondContact O-N 3.21Å; S154-F157 PolarHBondContact O-N 3.5Å; S154-F157 VanDerWaalsContact O-N 3.13Å; E155-F157 PolarHBondContact O-N 2.96Å; F157-S161 PolarHBondContact O-N 3.35Å; F157-S161 PolarHBondContact O-OG 2.83Å; F157-S161 VanDerWaalsContact O-OG 3.13Å; F157-I173 HydrophobicContact CD1-CG1 4.4Å; F157-I173 HydrophobicContact CE1-CG2 4.35Å; F157-A176 HydrophobicContact CD1-CB 3.92Å; F157-A176 HydrophobicContact CE1-CB 3.38Å; F157-A176 HydrophobicContact CE2-CB 4.41Å; F157-A176 HydrophobicContact CZ-CB 3.66Å; F157-V177 HydrophobicContact CE1-CG2 4.16Å; F157-V177 HydrophobicContact CZ-CG2 4.13Å; F157-L180 HydrophobicContact CE2-CD2 4.47Å; F157-L180 HydrophobicContact CZ-CD1 4.36Å; F157-F221 HydrophobicContact CB-CD1 4.48Å; F157-F221 HydrophobicContact CB-CE1 3.72Å; F157-F221 HydrophobicContact CD2-CE1 4.47Å; F157-F221 HydrophobicContact CG-CE1 4.3Å; F157-A257 HydrophobicContact CB-CB 4.2Å; F157-M261 HydrophobicContact CD1-CE 3.33Å; F157-M261 HydrophobicContact CE1-CE 3.41Å; F157-M261 VanDerWaalsContact CE1-CE 3.41Å; F157-M261 HydrophobicContact CG-CE 3.97Å; F157-M261 HydrophobicContact CZ-CE 4.13Å
158L94.1Very high93.7Very high6 Ų637.2 Ų37.23%0.03118%0.181CC..Hα-helixtrans-62.5-48.6174.5-87.167.9000110.3S154 E155 T156 I160 S161 L162 F221 E250 A253 A254S154-L158 WeakPolarHBondContact O-CD1 3.45Å; S154-L158 PolarHBondContact O-N 2.98Å; E155-L158 PolarHBondContact O-N 3.04Å; T156-L158 PolarHBondContact O-N 3.5Å; L158-I160 VanDerWaalsContact C-N 3.35Å; L158-I160 PolarHBondContact O-N 3.27Å; L158-S161 PolarHBondContact O-N 3.43Å; L158-L162 WeakPolarHBondContact O-CG 2.88Å; L158-L162 PolarHBondContact O-N 2.96Å; L158-F221 HydrophobicContact CD1-CD1 3.54Å; L158-F221 HydrophobicContact CD1-CE1 4.07Å; L158-F221 HydrophobicContact CD1-CG 4.4Å; L158-E250 HydrophobicContact CD2-CB 3.69Å; L158-E250 HydrophobicContact CD2-CG 3.94Å; L158-A253 HydrophobicContact CB-CB 4.28Å; L158-A253 HydrophobicContact CG-CB 4.16Å; L158-A254 HydrophobicContact CD1-CB 3.91Å; L158-A254 HydrophobicContact CG-CB 4.41Å
159Y93.6Very high93.7Very high22 Ų2238.5 Ų38.59%0.08619%0.186CC..Hα-helixtrans-65.9-35.1-179.3-67.4-11.5000113.2M30 F38 E155 T156 S161 L162 F163M30-Y159 HydrophobicContact CE-CD1 4.49Å; M30-Y159 HydrophobicContact CE-CD2 3.8Å; M30-Y159 HydrophobicContact CE-CE1 4.41Å; M30-Y159 HydrophobicContact CE-CE2 3.74Å; M30-Y159 HydrophobicContact CE-CG 4.2Å; M30-Y159 HydrophobicContact SD-CD2 3.89Å; M30-Y159 HydrophobicContact SD-CE2 4.36Å; M30-Y159 HydrophobicContact SD-CG 4.31Å; F38-Y159 HydrophobicContact CD1-CE2 4.28Å; F38-Y159 AromaticContact CE1-CE2 3.77Å; F38-Y159 HydrophobicContact CE1-CE2 3.77Å; F38-Y159 AromaticContact CE1-CZ 3.86Å; E155-Y159 VanDerWaalsContact CD-CE2 3.42Å; E155-Y159 VanDerWaalsContact CD-OH 3.3Å; E155-Y159 HydrophobicContact CG-CD1 4.42Å; E155-Y159 HydrophobicContact CG-CD2 3.81Å; E155-Y159 HydrophobicContact CG-CE1 3.97Å; E155-Y159 HydrophobicContact CG-CE2 3.22Å; E155-Y159 HydrophobicContact CG-CG 4.37Å; E155-Y159 WeakPolarHBondContact O-CB 3.26Å; E155-Y159 VanDerWaalsContact O-CG 3.28Å; E155-Y159 PolarHBondContact O-N 3.33Å; E155-Y159 PolarHBondContact OE1-OH 3.16Å; T156-Y159 PolarHBondContact O-N 3.44Å; Y159-S161 VanDerWaalsContact C-N 3.27Å; Y159-S161 PolarHBondContact O-N 2.75Å; Y159-L162 HydrophobicContact CD1-CD1 4.34Å; Y159-L162 PolarHBondContact O-N 3.35Å; Y159-F163 HydrophobicContact CD1-CD2 4.08Å; Y159-F163 AromaticContact CD1-CE2 3.53Å; Y159-F163 HydrophobicContact CD1-CE2 3.53Å; Y159-F163 HydrophobicContact CE1-CE2 4.07Å; Y159-F163 HydrophobicContact CG-CD2 4.13Å; Y159-F163 AromaticContact CG-CE2 3.98Å; Y159-F163 HydrophobicContact CG-CE2 3.98Å; Y159-F163 WeakPolarHBondContact O-CB 3.45Å; Y159-F163 WeakPolarHBondContact O-CD2 3.41Å; Y159-F163 PolarHBondContact O-N 3.22Å
160I95.8Very high93.7Very high0 Ų040.9 Ų40.90%020%0.198CC..Hα-helixtrans-56.8-46170-70.8163.5000110.4L22 L26 T156 L158 L164 K169 A172 I173 A176L22-I160 HydrophobicContact CD2-CD1 3.89Å; L22-I160 HydrophobicContact CD2-CG1 4.28Å; L26-I160 HydrophobicContact CD2-CG1 4.29Å; T156-I160 HydrophobicContact CG2-CD1 4.16Å; T156-I160 WeakPolarHBondContact O-CD1 3.3Å; T156-I160 VanDerWaalsContact O-CG1 3.23Å; T156-I160 WeakPolarHBondContact O-CG1 3.04Å; T156-I160 PolarHBondContact O-N 3.24Å; L158-I160 VanDerWaalsContact C-N 3.35Å; L158-I160 PolarHBondContact O-N 3.27Å; I160-L164 HydrophobicContact CB-CD1 4.3Å; I160-L164 HydrophobicContact CG1-CD1 3.99Å; I160-L164 HydrophobicContact CG2-CD1 4.12Å; I160-L164 WeakPolarHBondContact O-CB 3.42Å; I160-L164 PolarHBondContact O-N 2.95Å; I160-K169 HydrophobicContact CG2-CB 4.28Å; I160-K169 HydrophobicContact CG2-CG 4.28Å; I160-A172 HydrophobicContact CB-CB 4.5Å; I160-A172 HydrophobicContact CD1-CB 3.89Å; I160-A172 HydrophobicContact CG1-CB 3.87Å; I160-A172 HydrophobicContact CG2-CB 3.83Å; I160-I173 HydrophobicContact CG2-CG1 3.98Å; I160-A176 HydrophobicContact CD1-CB 3.91Å
161S95.9Very high93.7Very high12 Ų1242.3 Ų42.38%0.08421%0.206CC..Hα-helixtrans-71.9-32.9-177.1-59.30000113.3F157 L158 Y159 K169 A253 A257F157-S161 PolarHBondContact O-N 3.35Å; F157-S161 PolarHBondContact O-OG 2.83Å; F157-S161 VanDerWaalsContact O-OG 3.13Å; L158-S161 PolarHBondContact O-N 3.43Å; Y159-S161 VanDerWaalsContact C-N 3.27Å; Y159-S161 PolarHBondContact O-N 2.75Å; S161-K169 WeakPolarHBondContact O-CE 3.42Å; S161-K169 PolarHBondContact O-NZ 2.89Å; S161-A253 WeakPolarHBondContact CB-O 3.38Å; S161-A253 PolarHBondContact OG-O 3.33Å; S161-A257 WeakPolarHBondContact OG-CA 3.36Å; S161-A257 WeakPolarHBondContact OG-CB 3.32Å; S161-A257 PolarHBondContact OG-N 3.44Å
162L93.9Very high94.2Very high68 Ų6839.2 Ų39.236%0.35619%0.189SC..Hα-helixtrans-80.7-42.3-178.3-72169.1000113.5L158 Y159 K249 A253L158-L162 WeakPolarHBondContact O-CG 2.88Å; L158-L162 PolarHBondContact O-N 2.96Å; Y159-L162 HydrophobicContact CD1-CD1 4.34Å; Y159-L162 PolarHBondContact O-N 3.35Å; L162-K249 HydrophobicContact CD2-CB 4.46Å; L162-A253 HydrophobicContact CD1-CB 4.08Å; L162-A253 HydrophobicContact CD2-CB 3.83Å; L162-A253 HydrophobicContact CG-CB 3.6Å
163F94.3Very high94.8Very high63 Ų6338 Ų3828%0.27618%0.181SC..Hα-helixtrans-115.5-23.2-163.3-55.8-61.9000114S29 M30 P31 Y159S29-F163 WeakPolarHBondContact CB-O 3.47Å; M30-F163 HydrophobicContact CE-CD2 4.28Å; M30-F163 HydrophobicContact CE-CE2 3.87Å; M30-F163 HydrophobicContact CG-CB 4.19Å; M30-F163 HydrophobicContact CG-CD2 3.55Å; M30-F163 HydrophobicContact CG-CE2 4.01Å; M30-F163 HydrophobicContact CG-CG 3.85Å; M30-F163 HydrophobicContact SD-CD2 4.25Å; M30-F163 HydrophobicContact SD-CE2 4.44Å; P31-F163 HydrophobicContact CG-CE1 4.24Å; Y159-F163 HydrophobicContact CD1-CD2 4.08Å; Y159-F163 AromaticContact CD1-CE2 3.53Å; Y159-F163 HydrophobicContact CD1-CE2 3.53Å; Y159-F163 HydrophobicContact CE1-CE2 4.07Å; Y159-F163 HydrophobicContact CG-CD2 4.13Å; Y159-F163 AromaticContact CG-CE2 3.98Å; Y159-F163 HydrophobicContact CG-CE2 3.98Å; Y159-F163 WeakPolarHBondContact O-CB 3.45Å; Y159-F163 WeakPolarHBondContact O-CD2 3.41Å; Y159-F163 PolarHBondContact O-N 3.22Å
164L95.1Very high94.9Very high10 Ų1040 Ų405%0.05219%0.188CC..SBendtrans-84.6143.4-179.8-60.5-172.3000111.9S25 L26 S29 I160 K169 A172S25-L164 WeakPolarHBondContact O-CD2 3.03Å; L26-L164 HydrophobicContact CD2-CD1 4.17Å; L26-L164 HydrophobicContact CD2-CD2 4.04Å; L26-L164 HydrophobicContact CD2-CG 3.94Å; S29-L164 WeakPolarHBondContact OG-CD2 3.33Å; I160-L164 HydrophobicContact CB-CD1 4.3Å; I160-L164 HydrophobicContact CG1-CD1 3.99Å; I160-L164 HydrophobicContact CG2-CD1 4.12Å; I160-L164 WeakPolarHBondContact O-CB 3.42Å; I160-L164 PolarHBondContact O-N 2.95Å; L164-K169 HydrophobicContact CB-CG 4.43Å; L164-K169 WeakPolarHBondContact O-CE 3.46Å; L164-A172 HydrophobicContact CD1-CB 3.43Å; L164-A172 VanDerWaalsContact CD1-CB 3.43Å
165P94.5Very high95.1Very high66 Ų6640 Ų4043%0.42919%0.188SC..  trans-58.2146.9172.6-23.133.1000112.1R167 S168 K169P165-R167 VanDerWaalsContact C-N 3.26Å; P165-R167 HydrophobicContact CB-CG 4.3Å; P165-R167 PolarHBondContact O-N 2.88Å; P165-R167 VanDerWaalsContact O-N 3.13Å; P165-S168 PolarHBondContact O-N 3.19Å; P165-K169 PolarHBondContact O-N 3.41Å
166E94.2Very high95.4Very high127 Ų12737.7 Ų37.759%0.59318%0.178SC*.Hα-helixtrans-51.2-43.8-175.1-16558.2-146.400113.1S168 K169E166-S168 PolarHBondContact O-N 3.09Å; E166-S168 VanDerWaalsContact O-N 3.13Å; E166-K169 PolarHBondContact O-N 3.47Å; E166-K169 WeakPolarHBondContact OE2-CD 3.23Å; E166-K169 WeakPolarHBondContact OE2-CE 3.36Å; E166-K169 IonicContact OE2-NZ 2.63Å; E166-K169 PolarHBondContact OE2-NZ 3.43Å
167R93.3Very high95.6Very high231 Ų23137.7 Ų37.787%0.87218%0.177SC*.Hα-helixtrans-59.7-23.4178.466-179.6179.9-177.5-1.2114.8P165P165-R167 VanDerWaalsContact C-N 3.26Å; P165-R167 HydrophobicContact CB-CG 4.3Å; P165-R167 PolarHBondContact O-N 2.88Å; P165-R167 VanDerWaalsContact O-N 3.13Å
168S94.3Very high95.6Very high32 Ų3237.8 Ų37.822%0.22418%0.178CC..Hα-helixtrans-100.8-13.8-176.6-56.10000113P165 E166 I170 D171 A172P165-S168 PolarHBondContact O-N 3.19Å; E166-S168 PolarHBondContact O-N 3.09Å; E166-S168 VanDerWaalsContact O-N 3.13Å; S168-I170 PolarHBondContact O-N 2.75Å; S168-D171 PolarHBondContact O-N 3.28Å; S168-A172 WeakPolarHBondContact O-CB 3.43Å; S168-A172 PolarHBondContact O-N 3.1Å
169K97Very high95.7Very high26 Ų2637.6 Ų37.611%0.11318%0.177CC..Hα-helixtrans-61.8-44.7-172.2-72.1-176.9-177.1168.70113.2I160 S161 L164 P165 E166 D171 A172 I173 I260I160-K169 HydrophobicContact CG2-CB 4.28Å; I160-K169 HydrophobicContact CG2-CG 4.28Å; S161-K169 WeakPolarHBondContact O-CE 3.42Å; S161-K169 PolarHBondContact O-NZ 2.89Å; L164-K169 HydrophobicContact CB-CG 4.43Å; L164-K169 WeakPolarHBondContact O-CE 3.46Å; P165-K169 PolarHBondContact O-N 3.41Å; E166-K169 PolarHBondContact O-N 3.47Å; E166-K169 WeakPolarHBondContact OE2-CD 3.23Å; E166-K169 WeakPolarHBondContact OE2-CE 3.36Å; E166-K169 IonicContact OE2-NZ 2.63Å; E166-K169 PolarHBondContact OE2-NZ 3.43Å; K169-D171 VanDerWaalsContact C-N 3.31Å; K169-D171 PolarHBondContact O-N 3.45Å; K169-A172 PolarHBondContact O-N 2.88Å; K169-I173 WeakPolarHBondContact O-CB 3.48Å; K169-I173 VanDerWaalsContact O-CG1 3.3Å; K169-I173 WeakPolarHBondContact O-CG1 3.36Å; K169-I173 PolarHBondContact O-N 2.96Å; K169-I260 HydrophobicContact CB-CD1 4.03Å; K169-I260 HydrophobicContact CD-CD1 4.02Å
170I96.5Very high95.9Very high51 Ų5136.6 Ų36.626%0.26217%0.173SC..Hα-helixtrans-60.3-45.3179.7-61.8169000110.1S168 I173 R174 I260 Q264 K267S168-I170 PolarHBondContact O-N 2.75Å; I170-I173 PolarHBondContact O-N 3.1Å; I170-R174 WeakPolarHBondContact O-CD 3.45Å; I170-R174 WeakPolarHBondContact O-CG 3.18Å; I170-R174 PolarHBondContact O-N 3.28Å; I170-I260 HydrophobicContact CG1-CG2 3.84Å; I170-Q264 HydrophobicContact CD1-CG 3.84Å; I170-Q264 HydrophobicContact CG1-CG 4.2Å; I170-K267 HydrophobicContact CG2-CB 4.47Å
171D95.9Very high95.9Very high34 Ų3438.6 Ų38.618%0.18219%0.186CC..Hα-helixtrans-66.3-41.2-178.9-169.859.9000112.4Y21 S168 K169 R174 K175 S272Y21-D171 PolarHBondContact OH-OD2 2.86Å; S168-D171 PolarHBondContact O-N 3.28Å; K169-D171 VanDerWaalsContact C-N 3.31Å; K169-D171 PolarHBondContact O-N 3.45Å; D171-R174 WeakPolarHBondContact O-CB 3.36Å; D171-R174 PolarHBondContact O-N 3.44Å; D171-K175 VanDerWaalsContact CG-NZ 3.25Å; D171-K175 WeakPolarHBondContact O-CG 3.47Å; D171-K175 PolarHBondContact O-N 2.78Å; D171-K175 IonicContact OD1-NZ 2.68Å; D171-K175 PolarHBondContact OD1-NZ 2.96Å; D171-K175 IonicContact OD2-NZ 3.88Å; D171-K175 PolarHBondContact OD2-NZ 3.3Å; D171-S272 WeakPolarHBondContact OD1-CB 3.4Å; D171-S272 PolarHBondContact OD1-OG 3.07Å
172A97.1Very high95.9Very high0 Ų038.4 Ų38.40%018%0.184CC..Hα-helixtrans-65.1-41.3173.500000112.4Y21 L22 I160 L164 S168 K169 R174 K175 A176Y21-A172 HydrophobicContact CE1-CB 4.33Å; L22-A172 HydrophobicContact CD2-CB 3.85Å; I160-A172 HydrophobicContact CB-CB 4.5Å; I160-A172 HydrophobicContact CD1-CB 3.89Å; I160-A172 HydrophobicContact CG1-CB 3.87Å; I160-A172 HydrophobicContact CG2-CB 3.83Å; L164-A172 HydrophobicContact CD1-CB 3.43Å; L164-A172 VanDerWaalsContact CD1-CB 3.43Å; S168-A172 WeakPolarHBondContact O-CB 3.43Å; S168-A172 PolarHBondContact O-N 3.1Å; K169-A172 PolarHBondContact O-N 2.88Å; A172-R174 PolarHBondContact O-N 2.48Å; A172-K175 PolarHBondContact O-N 3.11Å; A172-A176 PolarHBondContact O-N 2.83Å
173I97.8Very high96Very high0 Ų035.9 Ų35.90%017%0.171CC..Hα-helixtrans-61.2-43.8176.2-75.9168.5000110.9F157 I160 K169 I170 K175 A176 V177 I260 M261 V268F157-I173 HydrophobicContact CD1-CG1 4.4Å; F157-I173 HydrophobicContact CE1-CG2 4.35Å; I160-I173 HydrophobicContact CG2-CG1 3.98Å; K169-I173 WeakPolarHBondContact O-CB 3.48Å; K169-I173 VanDerWaalsContact O-CG1 3.3Å; K169-I173 WeakPolarHBondContact O-CG1 3.36Å; K169-I173 PolarHBondContact O-N 2.96Å; I170-I173 PolarHBondContact O-N 3.1Å; I173-K175 VanDerWaalsContact C-N 3.28Å; I173-K175 PolarHBondContact O-N 3.04Å; I173-A176 PolarHBondContact O-N 2.97Å; I173-A176 VanDerWaalsContact O-N 3.1Å; I173-V177 HydrophobicContact CG2-CG2 4.47Å; I173-V177 WeakPolarHBondContact O-CG2 3.33Å; I173-V177 PolarHBondContact O-N 2.94Å; I173-I260 HydrophobicContact CD1-CB 3.81Å; I173-I260 HydrophobicContact CD1-CD1 3.98Å; I173-I260 HydrophobicContact CD1-CG2 3.62Å; I173-M261 HydrophobicContact CG2-CE 4.1Å; I173-M261 HydrophobicContact CG2-CG 3.75Å; I173-V268 HydrophobicContact CG2-CG1 4.1Å; I173-V268 HydrophobicContact CG2-CG2 4.02Å
174R96.7Very high96.1Very high43 Ų4333.8 Ų33.816%0.16216%0.162CC..Hα-helixtrans-55.7-44.6175.2-70163.678-179.715.9111.8I170 D171 A172 V177 L178 K267 H270 I271I170-R174 WeakPolarHBondContact O-CD 3.45Å; I170-R174 WeakPolarHBondContact O-CG 3.18Å; I170-R174 PolarHBondContact O-N 3.28Å; D171-R174 WeakPolarHBondContact O-CB 3.36Å; D171-R174 PolarHBondContact O-N 3.44Å; A172-R174 PolarHBondContact O-N 2.48Å; R174-V177 PolarHBondContact O-N 3.21Å; R174-L178 PolarHBondContact O-N 2.76Å; R174-L178 VanDerWaalsContact O-N 3.09Å; R174-K267 WeakPolarHBondContact CD-O 3.39Å; R174-K267 WeakPolarHBondContact CG-O 3.44Å; R174-K267 PolarHBondContact NE-O 2.92Å; R174-K267 VanDerWaalsContact NE-O 3.08Å; R174-H270 VanDerWaalsContact CZ-O 3.29Å; R174-H270 PolarHBondContact NE-O 3.23Å; R174-H270 PolarHBondContact NH2-O 2.66Å; R174-I271 PolarHBondContact NH2-O 3.46Å
175K96.8Very high96.2Very high0 Ų034 Ų340%017%0.165CC..Hα-helixtrans-67.6-36.1177.2-72.3173.7169.377.30112.1A18 Y21 L22 D171 A172 I173 L178 L179 S272 D274A18-K175 HydrophobicContact CB-CB 3.73Å; A18-K175 HydrophobicContact CB-CG 3.99Å; Y21-K175 HydrophobicContact CD1-CD 3.2Å; Y21-K175 HydrophobicContact CD2-CD 4.22Å; Y21-K175 HydrophobicContact CE1-CD 3.76Å; Y21-K175 HydrophobicContact CG-CD 3.48Å; Y21-K175 VanDerWaalsContact CG-CD 3.48Å; Y21-K175 VanDerWaalsContact CG-CE 3.48Å; L22-K175 HydrophobicContact CD1-CB 4.05Å; L22-K175 HydrophobicContact CD2-CB 4.44Å; L22-K175 HydrophobicContact CG-CB 4.09Å; D171-K175 VanDerWaalsContact CG-NZ 3.25Å; D171-K175 WeakPolarHBondContact O-CG 3.47Å; D171-K175 PolarHBondContact O-N 2.78Å; D171-K175 IonicContact OD1-NZ 2.68Å; D171-K175 PolarHBondContact OD1-NZ 2.96Å; D171-K175 IonicContact OD2-NZ 3.88Å; D171-K175 PolarHBondContact OD2-NZ 3.3Å; A172-K175 PolarHBondContact O-N 3.11Å; I173-K175 VanDerWaalsContact C-N 3.28Å; I173-K175 PolarHBondContact O-N 3.04Å; K175-L178 WeakPolarHBondContact O-CB 3.42Å; K175-L178 PolarHBondContact O-N 3.26Å; K175-L179 WeakPolarHBondContact O-CG 3.49Å; K175-L179 PolarHBondContact O-N 3.44Å; K175-S272 PolarHBondContact NZ-OG 3.44Å; K175-D274 VanDerWaalsContact CE-OD2 3.3Å; K175-D274 WeakPolarHBondContact CE-OD2 3.36Å; K175-D274 IonicContact NZ-OD1 3.59Å; K175-D274 PolarHBondContact NZ-OD1 3.48Å; K175-D274 IonicContact NZ-OD2 3.99Å; K175-D274 PolarHBondContact NZ-OD2 3.19Å
176A97Very high96.3Very high0 Ų032 Ų320%015%0.149CC..Hα-helixtrans-69.3-37.8175.700000111.8L22 T156 F157 I160 A172 I173 L178 L179 L180L22-A176 HydrophobicContact CD1-CB 4.01Å; T156-A176 HydrophobicContact CG2-CB 4.35Å; F157-A176 HydrophobicContact CD1-CB 3.92Å; F157-A176 HydrophobicContact CE1-CB 3.38Å; F157-A176 HydrophobicContact CE2-CB 4.41Å; F157-A176 HydrophobicContact CZ-CB 3.66Å; I160-A176 HydrophobicContact CD1-CB 3.91Å; A172-A176 PolarHBondContact O-N 2.83Å; I173-A176 PolarHBondContact O-N 2.97Å; I173-A176 VanDerWaalsContact O-N 3.1Å; A176-L178 VanDerWaalsContact C-N 3.35Å; A176-L178 PolarHBondContact O-N 3.41Å; A176-L179 WeakPolarHBondContact O-CB 3.29Å; A176-L179 PolarHBondContact O-N 3.23Å; A176-L179 VanDerWaalsContact O-N 3.1Å; A176-L180 PolarHBondContact O-N 3.37Å
177V97.5Very high96.4Very high0 Ų026 Ų260%012%0.121CC..Hα-helixtrans-62.7-39.6173.5169.30000111.8I3 F157 I173 R174 L179 L180 L188 V268 F269I3-V177 HydrophobicContact CD1-CG1 4.24Å; F157-V177 HydrophobicContact CE1-CG2 4.16Å; F157-V177 HydrophobicContact CZ-CG2 4.13Å; I173-V177 HydrophobicContact CG2-CG2 4.47Å; I173-V177 WeakPolarHBondContact O-CG2 3.33Å; I173-V177 PolarHBondContact O-N 2.94Å; R174-V177 PolarHBondContact O-N 3.21Å; V177-L179 PolarHBondContact O-N 2.84Å; V177-L179 VanDerWaalsContact O-N 3.15Å; V177-L180 HydrophobicContact CG2-CD1 4.45Å; V177-L180 WeakPolarHBondContact O-CB 3.46Å; V177-L180 PolarHBondContact O-N 3.31Å; V177-L180 VanDerWaalsContact O-N 3.09Å; V177-L188 HydrophobicContact CG2-CD2 4.06Å; V177-V268 HydrophobicContact CB-CG1 4.48Å; V177-V268 HydrophobicContact CG2-CG1 3.76Å; V177-F269 HydrophobicContact CG1-CD1 3.98Å; V177-F269 HydrophobicContact CG1-CE1 3.9Å
178L96Very high96.7Very high3 Ų315 Ų152%0.0168%0.08CC..Hα-helixtrans-56.8-29173.5-83.6169.8000113.3I3 M11 A14 R15 A18 R174 K175 A176 I271I3-L178 HydrophobicContact CD1-CD2 3.74Å; I3-L178 HydrophobicContact CD1-CG 3.97Å; I3-L178 HydrophobicContact CG1-CD2 3.74Å; I3-L178 HydrophobicContact CG1-CG 4.38Å; I3-L178 HydrophobicContact CG2-CD2 4.02Å; M11-L178 HydrophobicContact SD-CD2 4.24Å; A14-L178 HydrophobicContact CB-CD1 4.24Å; A14-L178 HydrophobicContact CB-CD2 4.3Å; R15-L178 WeakPolarHBondContact CD-O 3.41Å; R15-L178 VanDerWaalsContact CG-O 3.3Å; R15-L178 WeakPolarHBondContact CG-O 3.44Å; R15-L178 PolarHBondContact NE-O 3.02Å; A18-L178 HydrophobicContact CB-CB 4.32Å; A18-L178 HydrophobicContact CB-CD1 4.23Å; R174-L178 PolarHBondContact O-N 2.76Å; R174-L178 VanDerWaalsContact O-N 3.09Å; K175-L178 WeakPolarHBondContact O-CB 3.42Å; K175-L178 PolarHBondContact O-N 3.26Å; A176-L178 VanDerWaalsContact C-N 3.35Å; A176-L178 PolarHBondContact O-N 3.41Å; L178-I271 HydrophobicContact CD1-CG2 4.19Å; L178-I271 HydrophobicContact CD2-CG2 4.15Å
179L96.7Very high96.8Very high2 Ų215.2 Ų15.21%0.018%0.076CC..THydrogen-bonded Turntrans-87.4-10-178.8-60.7178000113.2R15 A18 L19 L22 V42 F45 L153 K175 A176 V177R15-L179 HydrophobicContact CB-CD2 4.13Å; R15-L179 HydrophobicContact CG-CD2 4.4Å; R15-L179 WeakPolarHBondContact O-CD2 3.3Å; A18-L179 HydrophobicContact CB-CD2 4.23Å; A18-L179 HydrophobicContact CB-CG 4.27Å; L19-L179 HydrophobicContact CB-CD1 4.35Å; L19-L179 HydrophobicContact CB-CD2 4.2Å; L22-L179 HydrophobicContact CD1-CD1 3.76Å; V42-L179 HydrophobicContact CG1-CD1 3.34Å; F45-L179 WeakPolarHBondContact CE2-O 3.28Å; F45-L179 WeakPolarHBondContact CZ-O 2.93Å; L153-L179 HydrophobicContact CD1-CB 4.09Å; L153-L179 WeakPolarHBondContact CD1-O 3.02Å; L153-L179 HydrophobicContact CD2-CB 4.04Å; L153-L179 HydrophobicContact CD2-CD1 4.47Å; K175-L179 WeakPolarHBondContact O-CG 3.49Å; K175-L179 PolarHBondContact O-N 3.44Å; A176-L179 WeakPolarHBondContact O-CB 3.29Å; A176-L179 PolarHBondContact O-N 3.23Å; A176-L179 VanDerWaalsContact O-N 3.1Å; V177-L179 PolarHBondContact O-N 2.84Å; V177-L179 VanDerWaalsContact O-N 3.15Å
180L96.8Very high96.8Very high0 Ų014.1 Ų14.10%07%0.072CC..SBendtrans-61.9150.1173.5-72.8166.3000110.5R15 L149 T150 L153 F157 A176 V177 N184 C185 L188R15-L180 PolarHBondContact NH2-O 3.39Å; L149-L180 HydrophobicContact CD2-CD1 4.02Å; L149-L180 HydrophobicContact CD2-CD2 4.45Å; T150-L180 HydrophobicContact CG2-CD2 4.06Å; L153-L180 HydrophobicContact CB-CD2 4.27Å; L153-L180 HydrophobicContact CD1-CB 4.41Å; L153-L180 HydrophobicContact CD1-CD2 3.63Å; L153-L180 HydrophobicContact CD1-CG 3.96Å; F157-L180 HydrophobicContact CE2-CD2 4.47Å; F157-L180 HydrophobicContact CZ-CD1 4.36Å; A176-L180 PolarHBondContact O-N 3.37Å; V177-L180 HydrophobicContact CG2-CD1 4.45Å; V177-L180 WeakPolarHBondContact O-CB 3.46Å; V177-L180 PolarHBondContact O-N 3.31Å; V177-L180 VanDerWaalsContact O-N 3.09Å; L180-N184 HydrophobicContact CB-CB 4.29Å; L180-N184 HydrophobicContact CD2-CB 4.41Å; L180-C185 HydrophobicContact CB-CB 4.15Å; L180-L188 HydrophobicContact CD1-CD2 3.61Å
181P96.7Very high96.9Very high42 Ų4211.7 Ų11.727%0.2736%0.059SC..  trans-51.3148.3163-21.731.6000110.6T150 E183 N184 C185T150-P181 HydrophobicContact CG2-CG 4.08Å; P181-E183 VanDerWaalsContact C-N 3.28Å; P181-E183 PolarHBondContact O-N 3.49Å; P181-N184 HydrophobicContact CB-CB 4.34Å; P181-N184 WeakPolarHBondContact CB-OD1 3.26Å; P181-N184 HydrophobicContact CG-CB 4.48Å; P181-N184 PolarHBondContact O-N 3.48Å; P181-N184 VanDerWaalsContact O-N 3.13Å; P181-C185 PolarHBondContact O-N 2.02Å
182D96Very high97Very high9 Ų910.1 Ų10.15%0.0485%0.051CC..Hα-helixtrans-59.7-39.6-171.1-65.8-99.2000112.1R15 C185 Q186 R475 S476 W479R15-D182 IonicContact CZ-OD2 3.49Å; R15-D182 IonicContact NH1-OD2 3.33Å; R15-D182 PolarHBondContact NH1-OD2 2.97Å; R15-D182 VanDerWaalsContact NH2-CG 3.26Å; R15-D182 IonicContact NH2-OD1 2.98Å; R15-D182 PolarHBondContact NH2-OD1 3.25Å; R15-D182 VanDerWaalsContact NH2-OD1 3.16Å; R15-D182 IonicContact NH2-OD2 2.65Å; R15-D182 PolarHBondContact NH2-OD2 3.12Å; D182-C185 PolarHBondContact O-N 3.32Å; D182-Q186 WeakPolarHBondContact O-CG 3.45Å; D182-Q186 PolarHBondContact O-N 2.95Å; D182-R475 VanDerWaalsContact OD1-CA 3.31Å; D182-R475 WeakPolarHBondContact OD1-CA 3.42Å; D182-S476 PolarHBondContact OD1-N 2.99Å; D182-S476 VanDerWaalsContact OD2-CB 3.29Å; D182-S476 WeakPolarHBondContact OD2-CB 3.42Å; D182-S476 PolarHBondContact OD2-OG 3.39Å; D182-W479 HydrophobicContact CB-CB 4.02Å; D182-W479 HydrophobicContact CB-CG 4.06Å
183E95.8Very high97.1Very high15 Ų1512 Ų127%0.076%0.06CC..Hα-helixtrans-63.6-48.1175.3-64.178.4-171.400111.7L68 A72 P78 P181 C185 Q186 V187 W479 N483L68-E183 HydrophobicContact CB-CB 3.98Å; A72-E183 HydrophobicContact CB-CG 4.07Å; P78-E183 HydrophobicContact CB-CB 3.72Å; P78-E183 HydrophobicContact CB-CG 3.94Å; P78-E183 HydrophobicContact CG-CB 4.41Å; P181-E183 VanDerWaalsContact C-N 3.28Å; P181-E183 PolarHBondContact O-N 3.49Å; E183-C185 VanDerWaalsContact C-N 3.32Å; E183-C185 PolarHBondContact O-N 2.99Å; E183-Q186 PolarHBondContact O-N 3.33Å; E183-V187 WeakPolarHBondContact O-CB 3.46Å; E183-V187 VanDerWaalsContact O-CG2 3.31Å; E183-V187 WeakPolarHBondContact O-CG2 3.49Å; E183-V187 PolarHBondContact O-N 3.21Å; E183-W479 PolarHBondContact OE1-NE1 3.07Å; E183-N483 PolarHBondContact OE1-ND2 2.82Å
184N97.2Very high97.1Very high18 Ų1812 Ų1210%0.0966%0.06CC..Hα-helixtrans-60.9-41.8178-66.368.1000111.4L148 L180 P181 L188L148-N184 HydrophobicContact CD1-CB 4.39Å; L148-N184 PolarHBondContact O-ND2 3.08Å; L180-N184 HydrophobicContact CB-CB 4.29Å; L180-N184 HydrophobicContact CD2-CB 4.41Å; P181-N184 HydrophobicContact CB-CB 4.34Å; P181-N184 WeakPolarHBondContact CB-OD1 3.26Å; P181-N184 HydrophobicContact CG-CB 4.48Å; P181-N184 PolarHBondContact O-N 3.48Å; P181-N184 VanDerWaalsContact O-N 3.13Å; N184-L188 WeakPolarHBondContact O-CB 3.18Å; N184-L188 PolarHBondContact O-N 3.19Å
185C96.5Very high97.2Very high16 Ų1610 Ų1011%0.1085%0.052CC..Hα-helixtrans-63.2-45.9178.1-174.30000111.8L180 P181 D182 E183 L188 Y189L180-C185 HydrophobicContact CB-CB 4.15Å; P181-C185 PolarHBondContact O-N 2.02Å; D182-C185 PolarHBondContact O-N 3.32Å; E183-C185 VanDerWaalsContact C-N 3.32Å; E183-C185 PolarHBondContact O-N 2.99Å; C185-L188 PolarHBondContact O-N 3.47Å; C185-Y189 PolarHBondContact O-N 3.03Å
186Q95.8Very high97.3Very high23 Ų2310.9 Ų10.911%0.1076%0.057CC..Hα-helixtrans-61.9-46.8177.1-75.8175.930.800112.2P78 D182 E183 Y189 A190 M400 L403P78-Q186 HydrophobicContact CG-CB 4.14Å; D182-Q186 WeakPolarHBondContact O-CG 3.45Å; D182-Q186 PolarHBondContact O-N 2.95Å; E183-Q186 PolarHBondContact O-N 3.33Å; Q186-Y189 WeakPolarHBondContact O-CB 3.24Å; Q186-Y189 PolarHBondContact O-N 3.46Å; Q186-A190 PolarHBondContact O-N 3.28Å; Q186-A190 VanDerWaalsContact O-N 3.16Å; Q186-M400 HydrophobicContact CB-CE 4.08Å; Q186-M400 WeakPolarHBondContact O-CE 3.37Å; Q186-L403 HydrophobicContact CB-CD1 4.02Å; Q186-L403 HydrophobicContact CB-CD2 4.43Å; Q186-L403 HydrophobicContact CG-CD1 3.88Å; Q186-L403 HydrophobicContact CG-CD2 4.06Å
187V97.8Very high97.3Very high0 Ų012 Ų120%06%0.064CC..Hα-helixtrans-68.3-37.8179.7174.10000111.5L68 P78 L79 F141 L148 E183 Y189 A190 L191L68-V187 HydrophobicContact CD1-CB 4.22Å; L68-V187 HydrophobicContact CD1-CG1 4.47Å; L68-V187 HydrophobicContact CD1-CG2 4.07Å; L68-V187 HydrophobicContact CD2-CG2 4.19Å; P78-V187 HydrophobicContact CB-CG2 3.71Å; P78-V187 HydrophobicContact CG-CG2 3.71Å; L79-V187 HydrophobicContact CB-CG2 4.22Å; L79-V187 HydrophobicContact CD1-CG1 4.06Å; F141-V187 HydrophobicContact CE1-CG1 3.44Å; F141-V187 VanDerWaalsContact CE1-CG1 3.44Å; F141-V187 HydrophobicContact CZ-CG1 3.84Å; L148-V187 HydrophobicContact CD1-CB 3.9Å; L148-V187 HydrophobicContact CD1-CG1 3.69Å; L148-V187 HydrophobicContact CD2-CG1 4.34Å; E183-V187 WeakPolarHBondContact O-CB 3.46Å; E183-V187 VanDerWaalsContact O-CG2 3.31Å; E183-V187 WeakPolarHBondContact O-CG2 3.49Å; E183-V187 PolarHBondContact O-N 3.21Å; V187-Y189 VanDerWaalsContact C-N 3.29Å; V187-Y189 PolarHBondContact O-N 2.79Å; V187-A190 PolarHBondContact O-N 3.39Å; V187-L191 PolarHBondContact O-N 3.47Å
188L98Very high97.4Very high0 Ų012 Ų120%06%0.064CC..Hα-helixtrans-60.8-39.9172.8-177.967.9000111.3L148 L149 V177 L180 N184 C185 L191 V192 M261 F269L148-L188 HydrophobicContact CD2-CB 4.19Å; L148-L188 HydrophobicContact CD2-CD1 3.94Å; L148-L188 HydrophobicContact CG-CB 4.47Å; L149-L188 HydrophobicContact CD2-CD1 3.83Å; L149-L188 HydrophobicContact CD2-CD2 3.61Å; L149-L188 HydrophobicContact CD2-CG 4.32Å; V177-L188 HydrophobicContact CG2-CD2 4.06Å; L180-L188 HydrophobicContact CD1-CD2 3.61Å; N184-L188 WeakPolarHBondContact O-CB 3.18Å; N184-L188 PolarHBondContact O-N 3.19Å; C185-L188 PolarHBondContact O-N 3.47Å; L188-L191 PolarHBondContact O-N 3.07Å; L188-V192 HydrophobicContact CD1-CG2 3.82Å; L188-V192 HydrophobicContact CG-CG2 4.06Å; L188-V192 VanDerWaalsContact O-CB 3.26Å; L188-V192 WeakPolarHBondContact O-CB 3.3Å; L188-V192 VanDerWaalsContact O-CG2 3.25Å; L188-V192 WeakPolarHBondContact O-CG2 3.36Å; L188-V192 PolarHBondContact O-N 3.28Å; L188-M261 HydrophobicContact CD2-SD 4.29Å; L188-F269 HydrophobicContact CD2-CE1 4.39Å; L188-F269 HydrophobicContact CD2-CZ 4.3Å; L188-F269 HydrophobicContact CG-CE1 4.39Å; L188-F269 HydrophobicContact CG-CZ 4.06Å
189Y97.4Very high97.5Very high38 Ų3812.6 Ų12.615%0.1497%0.069CC..Hα-helixtrans-62.3-46.2176.6-177.7-135.7000112.4C185 Q186 V187 V192 H193 R265 F269 P402 L403C185-Y189 PolarHBondContact O-N 3.03Å; Q186-Y189 WeakPolarHBondContact O-CB 3.24Å; Q186-Y189 PolarHBondContact O-N 3.46Å; V187-Y189 VanDerWaalsContact C-N 3.29Å; V187-Y189 PolarHBondContact O-N 2.79Å; Y189-V192 PolarHBondContact O-N 3.35Å; Y189-H193 VanDerWaalsContact O-CB 3.29Å; Y189-H193 WeakPolarHBondContact O-CB 3.38Å; Y189-H193 PolarHBondContact O-N 2.74Å; Y189-R265 PolarHBondContact OH-NH1 2.87Å; Y189-R265 PolarHBondContact OH-NH2 2.78Å; Y189-F269 HydrophobicContact CD2-CB 4.14Å; Y189-F269 AromaticContact CD2-CD1 3.94Å; Y189-F269 HydrophobicContact CD2-CD1 3.94Å; Y189-F269 AromaticContact CD2-CD2 3.27Å; Y189-F269 HydrophobicContact CD2-CD2 3.27Å; Y189-F269 HydrophobicContact CD2-CE1 4.16Å; Y189-F269 AromaticContact CD2-CE2 3.56Å; Y189-F269 HydrophobicContact CD2-CE2 3.56Å; Y189-F269 AromaticContact CD2-CG 3.49Å; Y189-F269 HydrophobicContact CD2-CG 3.49Å; Y189-F269 VanDerWaalsContact CD2-CG 3.49Å; Y189-F269 AromaticContact CD2-CZ 4Å; Y189-F269 HydrophobicContact CD2-CZ 4Å; Y189-F269 HydrophobicContact CE2-CB 4.32Å; Y189-F269 AromaticContact CE2-CD2 3.82Å; Y189-F269 HydrophobicContact CE2-CD2 3.82Å; Y189-F269 HydrophobicContact CE2-CE2 4.41Å; Y189-F269 HydrophobicContact CE2-CG 4.09Å; Y189-F269 HydrophobicContact CG-CD1 4.05Å; Y189-F269 HydrophobicContact CG-CD2 4.19Å; Y189-F269 HydrophobicContact CG-CE1 4.22Å; Y189-F269 HydrophobicContact CG-CE2 4.38Å; Y189-F269 HydrophobicContact CG-CG 4.04Å; Y189-F269 HydrophobicContact CG-CZ 4.39Å; Y189-P402 HydrophobicContact CD1-CG 4Å; Y189-P402 HydrophobicContact CE1-CB 4.42Å; Y189-P402 HydrophobicContact CE1-CG 3.63Å; Y189-P402 WeakPolarHBondContact CE1-O 3.13Å; Y189-P402 HydrophobicContact CE2-CG 4.34Å; Y189-L403 HydrophobicContact CD1-CD2 3.66Å; Y189-L403 HydrophobicContact CD1-CG 4.24Å; Y189-L403 HydrophobicContact CE1-CD2 4.28Å
190A97.6Very high97.5Very high3 Ų319.4 Ų19.43%0.02510%0.099CC..Hα-helixtrans-60.1-46.6175.900000112L79 M87 Q186 V187 H193 L194 M400L79-A190 HydrophobicContact CD2-CB 4.38Å; M87-A190 HydrophobicContact SD-CB 4.48Å; Q186-A190 PolarHBondContact O-N 3.28Å; Q186-A190 VanDerWaalsContact O-N 3.16Å; V187-A190 PolarHBondContact O-N 3.39Å; A190-H193 WeakPolarHBondContact O-CB 3.28Å; A190-H193 PolarHBondContact O-N 2.83Å; A190-L194 PolarHBondContact O-N 2.96Å; A190-L194 VanDerWaalsContact O-N 3.08Å; A190-M400 HydrophobicContact CB-CE 3.94Å; A190-M400 HydrophobicContact CB-SD 3.96Å
191L98.4Very high97.6Very high0 Ų024.5 Ų24.50%012%0.118CC..Hα-helixtrans-64.9-48.6178.417959.6000112.3M87 F141 L148 V187 L188 H193 L194 L195 F216 L220M87-L191 HydrophobicContact CE-CB 4.35Å; M87-L191 HydrophobicContact CE-CD1 4.19Å; F141-L191 HydrophobicContact CD2-CD1 4.47Å; F141-L191 HydrophobicContact CD2-CD2 4.1Å; F141-L191 HydrophobicContact CE1-CD2 4.28Å; F141-L191 HydrophobicContact CE2-CB 4.45Å; F141-L191 HydrophobicContact CE2-CD1 3.82Å; F141-L191 HydrophobicContact CE2-CD2 3.81Å; F141-L191 HydrophobicContact CE2-CG 4.24Å; F141-L191 HydrophobicContact CG-CD2 4.48Å; F141-L191 HydrophobicContact CZ-CB 4.14Å; F141-L191 HydrophobicContact CZ-CD1 4.36Å; F141-L191 HydrophobicContact CZ-CD2 3.91Å; F141-L191 HydrophobicContact CZ-CG 4.37Å; L148-L191 HydrophobicContact CD2-CD2 3.9Å; V187-L191 PolarHBondContact O-N 3.47Å; L188-L191 PolarHBondContact O-N 3.07Å; L191-H193 PolarHBondContact O-N 2.79Å; L191-L194 HydrophobicContact CD1-CD2 4.32Å; L191-L194 WeakPolarHBondContact O-CB 3.12Å; L191-L194 PolarHBondContact O-N 2.93Å; L191-L195 HydrophobicContact CD1-CD1 4.22Å; L191-L195 HydrophobicContact CD1-CD2 4.46Å; L191-L195 HydrophobicContact CD1-CG 4.13Å; L191-L195 HydrophobicContact CG-CD1 4.15Å; L191-L195 HydrophobicContact CG-CG 4.42Å; L191-L195 VanDerWaalsContact O-CG 3.31Å; L191-L195 WeakPolarHBondContact O-CG 3.45Å; L191-L195 PolarHBondContact O-N 2.96Å; L191-F216 HydrophobicContact CD1-CD1 4.5Å; L191-F216 HydrophobicContact CD1-CE1 3.89Å; L191-F216 HydrophobicContact CD1-CZ 4.26Å; L191-F216 HydrophobicContact CD2-CD1 4.34Å; L191-F216 HydrophobicContact CD2-CE1 4.4Å; L191-L220 HydrophobicContact CD2-CD1 3.55Å; L191-L220 HydrophobicContact CD2-CD2 3.56Å; L191-L220 HydrophobicContact CD2-CG 4.18Å
192V98.3Very high97.7Very high0 Ų024.1 Ų24.10%012%0.117CC..Hα-helixtrans-62.9-32.7179.5169.30000110.9L188 Y189 N196 M261 R265 F269L188-V192 HydrophobicContact CD1-CG2 3.82Å; L188-V192 HydrophobicContact CG-CG2 4.06Å; L188-V192 VanDerWaalsContact O-CB 3.26Å; L188-V192 WeakPolarHBondContact O-CB 3.3Å; L188-V192 VanDerWaalsContact O-CG2 3.25Å; L188-V192 WeakPolarHBondContact O-CG2 3.36Å; L188-V192 PolarHBondContact O-N 3.28Å; Y189-V192 PolarHBondContact O-N 3.35Å; V192-N196 VanDerWaalsContact O-CB 3.24Å; V192-N196 WeakPolarHBondContact O-CB 3.33Å; V192-N196 PolarHBondContact O-N 3.39Å; V192-M261 HydrophobicContact CG1-CB 4.43Å; V192-M261 VanDerWaalsContact CG1-O 3.23Å; V192-M261 WeakPolarHBondContact CG1-O 3.37Å; V192-M261 HydrophobicContact CG2-CB 4.22Å; V192-R265 HydrophobicContact CG1-CB 3.98Å; V192-R265 HydrophobicContact CG1-CG 3.9Å; V192-F269 HydrophobicContact CB-CE2 4.12Å; V192-F269 HydrophobicContact CB-CZ 4.26Å; V192-F269 HydrophobicContact CG1-CE2 4Å; V192-F269 HydrophobicContact CG2-CZ 4.38Å
193H98Very high97.7Very high40 Ų4029.2 Ų29.219%0.18515%0.149CC..Hα-helixtrans-63.5-51.5172.117747.7000112.8E91 Y189 A190 L191 L195 N196 T197 R265 P402E91-H193 IonicContact OE1-CD2 2.73Å; E91-H193 IonicContact OE1-NE2 2.67Å; Y189-H193 VanDerWaalsContact O-CB 3.29Å; Y189-H193 WeakPolarHBondContact O-CB 3.38Å; Y189-H193 PolarHBondContact O-N 2.74Å; A190-H193 WeakPolarHBondContact O-CB 3.28Å; A190-H193 PolarHBondContact O-N 2.83Å; L191-H193 PolarHBondContact O-N 2.79Å; H193-L195 VanDerWaalsContact C-N 3.3Å; H193-L195 PolarHBondContact O-N 2.8Å; H193-N196 WeakPolarHBondContact O-CB 3.2Å; H193-N196 PolarHBondContact O-N 3.18Å; H193-N196 VanDerWaalsContact O-N 3.16Å; H193-T197 PolarHBondContact O-N 2.63Å; H193-T197 PolarHBondContact O-OG1 3.13Å; H193-T197 VanDerWaalsContact O-OG1 3.1Å; H193-R265 PolarHBondContact CE1-NH2 3.41Å; H193-R265 VanDerWaalsContact CG-NH2 3.27Å; H193-R265 PolarHBondContact ND1-NE 3Å; H193-R265 PolarHBondContact ND1-NH2 3.11Å; H193-P402 HydrophobicContact CB-CG 3.64Å; H193-P402 VanDerWaalsContact CD2-CG 3.41Å; H193-P402 WeakPolarHBondContact CD2-CG 3.27Å
194L98.2Very high97.8Very high0 Ų032 Ų320%017%0.166CC..Hα-helixtrans-53.2-49175.1162.166.4000111.1M87 V90 E91 F101 I137 A190 L191 N196 T197 V198M87-L194 HydrophobicContact CB-CD2 4.08Å; M87-L194 HydrophobicContact CE-CD2 4.37Å; M87-L194 HydrophobicContact CG-CD2 3.75Å; M87-L194 HydrophobicContact SD-CD2 4.24Å; V90-L194 HydrophobicContact CB-CD1 4.12Å; V90-L194 HydrophobicContact CG1-CD1 3.95Å; E91-L194 HydrophobicContact CG-CD1 3.43Å; E91-L194 VanDerWaalsContact CG-CD1 3.43Å; E91-L194 WeakPolarHBondContact OE1-CA 3.02Å; F101-L194 HydrophobicContact CZ-CD1 4.47Å; F101-L194 HydrophobicContact CZ-CD2 3.93Å; F101-L194 HydrophobicContact CZ-CG 4.28Å; I137-L194 HydrophobicContact CD1-CD2 4.11Å; A190-L194 PolarHBondContact O-N 2.96Å; A190-L194 VanDerWaalsContact O-N 3.08Å; L191-L194 HydrophobicContact CD1-CD2 4.32Å; L191-L194 WeakPolarHBondContact O-CB 3.12Å; L191-L194 PolarHBondContact O-N 2.93Å; L194-N196 VanDerWaalsContact C-N 3.34Å; L194-N196 PolarHBondContact O-N 3.43Å; L194-T197 WeakPolarHBondContact O-CB 3.34Å; L194-T197 PolarHBondContact O-N 2.84Å; L194-V198 HydrophobicContact CD1-CG2 4.18Å; L194-V198 WeakPolarHBondContact O-CG2 3.38Å; L194-V198 PolarHBondContact O-N 3.12Å
195L98.7Very high97.8Very high0 Ų031.1 Ų31.10%016%0.162CC..Hα-helixtrans-65.5-37.5-179.5-61.9-178.2000112.2F101 L191 H193 V198 A199 L212 F216 I262F101-L195 HydrophobicContact CD2-CD2 4.12Å; F101-L195 HydrophobicContact CE2-CD2 3.85Å; F101-L195 HydrophobicContact CZ-CD2 4.34Å; L191-L195 HydrophobicContact CD1-CD1 4.22Å; L191-L195 HydrophobicContact CD1-CD2 4.46Å; L191-L195 HydrophobicContact CD1-CG 4.13Å; L191-L195 HydrophobicContact CG-CD1 4.15Å; L191-L195 HydrophobicContact CG-CG 4.42Å; L191-L195 VanDerWaalsContact O-CG 3.31Å; L191-L195 WeakPolarHBondContact O-CG 3.45Å; L191-L195 PolarHBondContact O-N 2.96Å; H193-L195 VanDerWaalsContact C-N 3.3Å; H193-L195 PolarHBondContact O-N 2.8Å; L195-V198 PolarHBondContact O-N 2.96Å; L195-A199 WeakPolarHBondContact O-CB 3.2Å; L195-A199 PolarHBondContact O-N 2.9Å; L195-L212 HydrophobicContact CB-CD1 4.32Å; L195-L212 HydrophobicContact CD2-CD2 4.29Å; L195-L212 VanDerWaalsContact O-CD1 3.23Å; L195-L212 WeakPolarHBondContact O-CD1 3.49Å; L195-F216 HydrophobicContact CD1-CD2 3.99Å; L195-F216 HydrophobicContact CD1-CE2 4.31Å; L195-F216 HydrophobicContact CD1-CG 4.11Å; L195-F216 HydrophobicContact CD2-CD2 3.8Å; L195-F216 HydrophobicContact CD2-CE2 3.37Å; L195-F216 HydrophobicContact CD2-CZ 3.86Å; L195-F216 HydrophobicContact CG-CE2 4.45Å; L195-I262 HydrophobicContact CB-CD1 3.96Å; L195-I262 HydrophobicContact CB-CG1 3.91Å; L195-I262 HydrophobicContact CB-CG2 4.25Å; L195-I262 HydrophobicContact CD1-CD1 3.85Å; L195-I262 HydrophobicContact CD1-CG1 4.21Å
196N98.4Very high97.9Very high20 Ų2035.3 Ų35.311%0.10718%0.18CC..Hα-helixtrans-63.9-43.6173.6178.5-92.2000111.3V192 H193 L194 V198 A199 K200 I262 R265V192-N196 VanDerWaalsContact O-CB 3.24Å; V192-N196 WeakPolarHBondContact O-CB 3.33Å; V192-N196 PolarHBondContact O-N 3.39Å; H193-N196 WeakPolarHBondContact O-CB 3.2Å; H193-N196 PolarHBondContact O-N 3.18Å; H193-N196 VanDerWaalsContact O-N 3.16Å; L194-N196 VanDerWaalsContact C-N 3.34Å; L194-N196 PolarHBondContact O-N 3.43Å; N196-V198 PolarHBondContact O-N 2.99Å; N196-A199 PolarHBondContact O-N 3.47Å; N196-K200 WeakPolarHBondContact O-CG 3.46Å; N196-K200 PolarHBondContact O-N 3.32Å; N196-K200 VanDerWaalsContact OD1-CE 3.27Å; N196-K200 WeakPolarHBondContact OD1-CE 3.44Å; N196-I262 HydrophobicContact CB-CG2 4.31Å; N196-I262 PolarHBondContact ND2-O 3.31Å; N196-R265 HydrophobicContact CB-CB 4.1Å; N196-R265 HydrophobicContact CB-CG 4.21Å
197T97.9Very high98Very high24 Ų2434.2 Ų34.215%0.14718%0.175CC..Hα-helixtrans-60.7-44.7176.3-60.60000111.2E91 H193 L194 A199 K200 Y201E91-T197 HydrophobicContact CB-CG2 4.49Å; E91-T197 HydrophobicContact CG-CG2 4.34Å; H193-T197 PolarHBondContact O-N 2.63Å; H193-T197 PolarHBondContact O-OG1 3.13Å; H193-T197 VanDerWaalsContact O-OG1 3.1Å; L194-T197 WeakPolarHBondContact O-CB 3.34Å; L194-T197 PolarHBondContact O-N 2.84Å; T197-A199 PolarHBondContact O-N 2.9Å; T197-K200 WeakPolarHBondContact O-CB 3.34Å; T197-K200 PolarHBondContact O-N 3.28Å; T197-Y201 HydrophobicContact CG2-CE2 4.43Å; T197-Y201 VanDerWaalsContact O-CD2 3.31Å; T197-Y201 WeakPolarHBondContact O-CD2 3.38Å
198V98.5Very high98.1Very high0 Ų037 Ų370%019%0.19CC..Hα-helixtrans-63.1-42.4175172.80000111.7V90 A94 V100 F101 L194 L195 N196 K200 Y201 N205 M207 L212V90-V198 HydrophobicContact CG1-CG2 4.26Å; A94-V198 HydrophobicContact CB-CG2 3.94Å; V100-V198 HydrophobicContact CG1-CG1 3.53Å; F101-V198 HydrophobicContact CE2-CG2 4.13Å; L194-V198 HydrophobicContact CD1-CG2 4.18Å; L194-V198 WeakPolarHBondContact O-CG2 3.38Å; L194-V198 PolarHBondContact O-N 3.12Å; L195-V198 PolarHBondContact O-N 2.96Å; N196-V198 PolarHBondContact O-N 2.99Å; V198-K200 VanDerWaalsContact C-N 3.26Å; V198-K200 PolarHBondContact O-N 2.64Å; V198-Y201 PolarHBondContact O-N 2.79Å; V198-N205 PolarHBondContact O-ND2 3.02Å; V198-M207 HydrophobicContact CG1-CB 4.39Å; V198-L212 HydrophobicContact CB-CD1 4.14Å; V198-L212 HydrophobicContact CG1-CD1 3.98Å; V198-L212 HydrophobicContact CG1-CD2 4.09Å
199A98.5Very high98.1Very high15 Ų1537.4 Ų37.412%0.12419%0.193CC..Hα-helixtrans-63-28.8178.400000113.7L195 N196 T197 Y201 S202 M207 A209 L212 I262L195-A199 WeakPolarHBondContact O-CB 3.2Å; L195-A199 PolarHBondContact O-N 2.9Å; N196-A199 PolarHBondContact O-N 3.47Å; T197-A199 PolarHBondContact O-N 2.9Å; A199-Y201 PolarHBondContact O-N 3.07Å; A199-S202 WeakPolarHBondContact O-CB 3.47Å; A199-S202 PolarHBondContact O-N 3.09Å; A199-S202 VanDerWaalsContact O-N 3.08Å; A199-S202 PolarHBondContact O-OG 3.15Å; A199-M207 WeakPolarHBondContact CA-O 3.29Å; A199-A209 HydrophobicContact CB-CB 4.27Å; A199-L212 HydrophobicContact CB-CD1 3.98Å; A199-I262 HydrophobicContact CB-CG2 4.26Å
200K98.1Very high98.1Very high145 Ų14538.9 Ų38.963%0.6320%0.203SC*.Hα-helixtrans-62.3-27.6174-73.4175.2179.4176.10112.6N196 T197 V198 S202N196-K200 WeakPolarHBondContact O-CG 3.46Å; N196-K200 PolarHBondContact O-N 3.32Å; N196-K200 VanDerWaalsContact OD1-CE 3.27Å; N196-K200 WeakPolarHBondContact OD1-CE 3.44Å; T197-K200 WeakPolarHBondContact O-CB 3.34Å; T197-K200 PolarHBondContact O-N 3.28Å; V198-K200 VanDerWaalsContact C-N 3.26Å; V198-K200 PolarHBondContact O-N 2.64Å; K200-S202 VanDerWaalsContact C-N 3.34Å
201Y98.3Very high98.2Very high106 Ų10641.1 Ų41.142%0.41622%0.215SC..THydrogen-bonded Turntrans-95.518.7175.7-61.8-71.8000113.2A94 A95 T197 V198 A199 T203 T204 N205A94-Y201 HydrophobicContact CB-CD2 3.68Å; A94-Y201 HydrophobicContact CB-CE2 4.14Å; A95-Y201 HydrophobicContact CB-CD1 3.57Å; A95-Y201 HydrophobicContact CB-CD2 4.48Å; A95-Y201 HydrophobicContact CB-CE1 3.89Å; A95-Y201 HydrophobicContact CB-CG 3.9Å; T197-Y201 HydrophobicContact CG2-CE2 4.43Å; T197-Y201 VanDerWaalsContact O-CD2 3.31Å; T197-Y201 WeakPolarHBondContact O-CD2 3.38Å; V198-Y201 PolarHBondContact O-N 2.79Å; A199-Y201 PolarHBondContact O-N 3.07Å; Y201-T203 PolarHBondContact O-N 3.42Å; Y201-T203 VanDerWaalsContact O-N 3.12Å; Y201-T204 PolarHBondContact O-N 3.1Å; Y201-T204 PolarHBondContact O-OG1 2.96Å; Y201-T204 VanDerWaalsContact O-OG1 3.09Å; Y201-N205 WeakPolarHBondContact CB-ND2 3.16Å; Y201-N205 PolarHBondContact O-N 2.89Å; Y201-N205 PolarHBondContact O-ND2 2.91Å; Y201-N205 PolarHBondContact O-OD1 3.46Å
202S97.9Very high98.2Very high35 Ų3541.1 Ų41.125%0.24522%0.215CC..Hα-helixtrans-56.9-28.2-177.450.20000114.4A199 K200 T204 N205 Q206A199-S202 WeakPolarHBondContact O-CB 3.47Å; A199-S202 PolarHBondContact O-N 3.09Å; A199-S202 VanDerWaalsContact O-N 3.08Å; A199-S202 PolarHBondContact O-OG 3.15Å; K200-S202 VanDerWaalsContact C-N 3.34Å; S202-T204 VanDerWaalsContact C-N 3.3Å; S202-T204 PolarHBondContact O-N 3.48Å; S202-N205 VanDerWaalsContact CA-OD1 3.31Å; S202-N205 WeakPolarHBondContact CA-OD1 3.31Å; S202-Q206 WeakPolarHBondContact O-CA 3.36Å; S202-Q206 PolarHBondContact O-N 3.13Å
203T97.3Very high98.2Very high116 Ų11641.2 Ų41.271%0.71222%0.215SC*.Hα-helixtrans-64.4-32.4176.255.40000113Y201 Q206Y201-T203 PolarHBondContact O-N 3.42Å; Y201-T203 VanDerWaalsContact O-N 3.12Å; T203-Q206 PolarHBondContact O-NE2 3Å
204T97.5Very high98.2Very high72 Ų7243.3 Ų43.344%0.44223%0.227SC..Hα-helixtrans-98.8-46.7178.358.70000111.6A95 Y201 S202A95-T204 WeakPolarHBondContact O-CB 3.46Å; A95-T204 PolarHBondContact O-OG1 3.37Å; Y201-T204 PolarHBondContact O-N 3.1Å; Y201-T204 PolarHBondContact O-OG1 2.96Å; Y201-T204 VanDerWaalsContact O-OG1 3.09Å; S202-T204 VanDerWaalsContact C-N 3.3Å; S202-T204 PolarHBondContact O-N 3.48Å
205N97.7Very high98.1Very high0 Ų044.7 Ų44.70%024%0.237CC..Hα-helixtrans-85.4-7.9-175.273.625.4000114A94 V98 G99 V198 Y201 S202 M207A94-N205 VanDerWaalsContact O-CB 3.31Å; A94-N205 WeakPolarHBondContact O-CB 2.86Å; A94-N205 PolarHBondContact O-ND2 3Å; V98-N205 CarbonylContact C-O 3.56Å; V98-N205 WeakPolarHBondContact CA-O 3.38Å; G99-N205 PolarHBondContact N-O 3.37Å; V198-N205 PolarHBondContact O-ND2 3.02Å; Y201-N205 WeakPolarHBondContact CB-ND2 3.16Å; Y201-N205 PolarHBondContact O-N 2.89Å; Y201-N205 PolarHBondContact O-ND2 2.91Å; Y201-N205 PolarHBondContact O-OD1 3.46Å; S202-N205 VanDerWaalsContact CA-OD1 3.31Å; S202-N205 WeakPolarHBondContact CA-OD1 3.31Å; N205-M207 PolarHBondContact O-N 2.75Å; N205-M207 WeakPolarHBondContact OD1-CA 3.15Å; N205-M207 WeakPolarHBondContact OD1-CB 3.26Å; N205-M207 PolarHBondContact OD1-N 2.93Å
206Q98Very high98.1Very high105 Ų10544.7 Ų44.749%0.49124%0.237SC..  trans63.622.5178.5-53.3-64.7-19.600114.8V98 S202 T203 N211V98-Q206 HydrophobicContact CG1-CG 4.18Å; S202-Q206 WeakPolarHBondContact O-CA 3.36Å; S202-Q206 PolarHBondContact O-N 3.13Å; T203-Q206 PolarHBondContact O-NE2 3Å; Q206-N211 PolarHBondContact O-ND2 3.11Å
207M98.4Very high98Very high0 Ų043.8 Ų43.80%023%0.231CC..  trans-124.882.8-177.6-65-59.9-5900110.7V100 R102 V198 A199 N205 N211 L212V100-M207 HydrophobicContact CG1-CG 4.47Å; V100-M207 WeakPolarHBondContact O-CG 3.43Å; R102-M207 HydrophobicContact CB-CE 3.77Å; R102-M207 HydrophobicContact CB-SD 3.67Å; V198-M207 HydrophobicContact CG1-CB 4.39Å; A199-M207 WeakPolarHBondContact CA-O 3.29Å; N205-M207 PolarHBondContact O-N 2.75Å; N205-M207 WeakPolarHBondContact OD1-CA 3.15Å; N205-M207 WeakPolarHBondContact OD1-CB 3.26Å; N205-M207 PolarHBondContact OD1-N 2.93Å; M207-N211 HydrophobicContact CE-CB 3.77Å; M207-N211 HydrophobicContact SD-CB 4.15Å; M207-L212 HydrophobicContact CB-CD2 4.06Å; M207-L212 HydrophobicContact CB-CG 4.17Å; M207-L212 HydrophobicContact CE-CD2 3.75Å; M207-L212 HydrophobicContact CE-CG 4.16Å
208D98.4Very high97.8Very high59 Ų5944 Ų4432%0.31623%0.233SC..  trans-70.8176.3168.365.223.2000112.3D210 N211 L212D208-D210 PolarHBondContact O-N 3.3Å; D208-D210 PolarHBondContact OD1-N 3.45Å; D208-D210 VanDerWaalsContact OD1-N 3.13Å; D208-N211 PolarHBondContact O-N 3.41Å; D208-N211 WeakPolarHBondContact OD1-CB 3.45Å; D208-N211 VanDerWaalsContact OD1-CG 3.3Å; D208-N211 PolarHBondContact OD1-N 3.49Å; D208-N211 PolarHBondContact OD1-ND2 2.63Å; D208-L212 WeakPolarHBondContact O-CB 3.05Å; D208-L212 VanDerWaalsContact O-CG 3.28Å; D208-L212 WeakPolarHBondContact O-CG 3.49Å; D208-L212 PolarHBondContact O-N 3.48Å
209A98.6Very high97.5Very high7 Ų744.7 Ų44.76%0.05824%0.238CC..Hα-helixtrans-60.8-32-178.600000113.4A199 A213 I262 K263A199-A209 HydrophobicContact CB-CB 4.27Å; A209-A213 VanDerWaalsContact O-CB 3.27Å; A209-A213 WeakPolarHBondContact O-CB 3.38Å; A209-A213 PolarHBondContact O-N 2.97Å; A209-I262 HydrophobicContact CB-CB 3.96Å; A209-I262 HydrophobicContact CB-CG2 3.55Å; A209-K263 HydrophobicContact CB-CD 4.31Å; A209-K263 HydrophobicContact CB-CG 3.59Å
210D98.5Very high97.5Very high69 Ų6944 Ų4437%0.36923%0.232SC..Hα-helixtrans-74.4-44179.8-58.1-70.3000110.6D208 L212 A213 I214 A259 K263D208-D210 PolarHBondContact O-N 3.3Å; D208-D210 PolarHBondContact OD1-N 3.45Å; D208-D210 VanDerWaalsContact OD1-N 3.13Å; D210-L212 VanDerWaalsContact C-N 3.34Å; D210-L212 PolarHBondContact O-N 2.73Å; D210-A213 WeakPolarHBondContact O-CB 3.33Å; D210-A213 PolarHBondContact O-N 3.2Å; D210-A213 VanDerWaalsContact O-N 3.17Å; D210-I214 WeakPolarHBondContact O-CG1 3.32Å; D210-I214 PolarHBondContact O-N 2.97Å; D210-A259 WeakPolarHBondContact OD1-CB 3.34Å; D210-K263 IonicContact OD1-NZ 2.82Å; D210-K263 PolarHBondContact OD1-NZ 2.73Å; D210-K263 VanDerWaalsContact OD2-CE 3.25Å; D210-K263 WeakPolarHBondContact OD2-CE 3.22Å; D210-K263 IonicContact OD2-NZ 2.65Å; D210-K263 PolarHBondContact OD2-NZ 2.87Å
211N98.3Very high97.3Very high51 Ų5137.1 Ų37.127%0.27320%0.202SC..Hα-helixtrans-61.2-41.9174.6-74.1-24.1000111.9Q206 M207 D208 I214 C215Q206-N211 PolarHBondContact O-ND2 3.11Å; M207-N211 HydrophobicContact CE-CB 3.77Å; M207-N211 HydrophobicContact SD-CB 4.15Å; D208-N211 PolarHBondContact O-N 3.41Å; D208-N211 WeakPolarHBondContact OD1-CB 3.45Å; D208-N211 VanDerWaalsContact OD1-CG 3.3Å; D208-N211 PolarHBondContact OD1-N 3.49Å; D208-N211 PolarHBondContact OD1-ND2 2.63Å; N211-I214 PolarHBondContact O-N 2.82Å; N211-C215 PolarHBondContact O-N 3.2Å; N211-C215 PolarHBondContact O-SG 2.87Å
212L98.7Very high96.8Very high0 Ų035.4 Ų35.40%020%0.195CC..Hα-helixtrans-65.2-41174.4-69.1169.7000111.4F101 L195 V198 A199 M207 D208 D210 I214 C215 F216 I262F101-L212 HydrophobicContact CB-CD2 4.15Å; F101-L212 HydrophobicContact CD2-CD2 3.66Å; F101-L212 HydrophobicContact CG-CD2 4.33Å; L195-L212 HydrophobicContact CB-CD1 4.32Å; L195-L212 HydrophobicContact CD2-CD2 4.29Å; L195-L212 VanDerWaalsContact O-CD1 3.23Å; L195-L212 WeakPolarHBondContact O-CD1 3.49Å; V198-L212 HydrophobicContact CB-CD1 4.14Å; V198-L212 HydrophobicContact CG1-CD1 3.98Å; V198-L212 HydrophobicContact CG1-CD2 4.09Å; A199-L212 HydrophobicContact CB-CD1 3.98Å; M207-L212 HydrophobicContact CB-CD2 4.06Å; M207-L212 HydrophobicContact CB-CG 4.17Å; M207-L212 HydrophobicContact CE-CD2 3.75Å; M207-L212 HydrophobicContact CE-CG 4.16Å; D208-L212 WeakPolarHBondContact O-CB 3.05Å; D208-L212 VanDerWaalsContact O-CG 3.28Å; D208-L212 WeakPolarHBondContact O-CG 3.49Å; D208-L212 PolarHBondContact O-N 3.48Å; D210-L212 VanDerWaalsContact C-N 3.34Å; D210-L212 PolarHBondContact O-N 2.73Å; L212-I214 VanDerWaalsContact C-N 3.33Å; L212-I214 PolarHBondContact O-N 3.15Å; L212-C215 WeakPolarHBondContact O-CB 3.23Å; L212-C215 PolarHBondContact O-N 3.1Å; L212-C215 VanDerWaalsContact O-N 3.11Å; L212-F216 PolarHBondContact O-N 2.98Å; L212-I262 HydrophobicContact CB-CD1 4.15Å
213A98.6Very high95.7Very high1 Ų134.2 Ų34.21%0.00819%0.186CC..Hα-helixtrans-62.8-38.517700000112.5A209 D210 C215 F216 A217 Q255 L258 A259 I262A209-A213 VanDerWaalsContact O-CB 3.27Å; A209-A213 WeakPolarHBondContact O-CB 3.38Å; A209-A213 PolarHBondContact O-N 2.97Å; D210-A213 WeakPolarHBondContact O-CB 3.33Å; D210-A213 PolarHBondContact O-N 3.2Å; D210-A213 VanDerWaalsContact O-N 3.17Å; A213-C215 VanDerWaalsContact C-N 3.28Å; A213-C215 PolarHBondContact O-N 3.38Å; A213-F216 PolarHBondContact O-N 3.49Å; A213-A217 WeakPolarHBondContact O-CB 3.28Å; A213-A217 PolarHBondContact O-N 3.48Å; A213-Q255 WeakPolarHBondContact CB-O 3.34Å; A213-L258 HydrophobicContact CB-CB 4.01Å; A213-L258 HydrophobicContact CB-CD2 4.23Å; A213-L258 HydrophobicContact CB-CG 4.04Å; A213-A259 HydrophobicContact CB-CB 3.9Å; A213-I262 HydrophobicContact CB-CD1 4.41Å
214I97.7Very high94.2Very high85 Ų8536.5 Ų36.544%0.43618%0.181SC..Hα-helixtrans-57.4-42.2172.3-68.9165.7000111.1D210 N211 L212 P218 Q255D210-I214 WeakPolarHBondContact O-CG1 3.32Å; D210-I214 PolarHBondContact O-N 2.97Å; N211-I214 PolarHBondContact O-N 2.82Å; L212-I214 VanDerWaalsContact C-N 3.33Å; L212-I214 PolarHBondContact O-N 3.15Å; I214-P218 WeakPolarHBondContact O-CD 3.33Å; I214-Q255 HydrophobicContact CG1-CG 4.35Å
215C97.2Very high91.9Very high29 Ų2936 Ų3620%0.19618%0.181CC..Hα-helixtrans-72-36.4-178.6-61.60000113N211 L212 A213N211-C215 PolarHBondContact O-N 3.2Å; N211-C215 PolarHBondContact O-SG 2.87Å; L212-C215 WeakPolarHBondContact O-CB 3.23Å; L212-C215 PolarHBondContact O-N 3.1Å; L212-C215 VanDerWaalsContact O-N 3.11Å; A213-C215 VanDerWaalsContact C-N 3.28Å; A213-C215 PolarHBondContact O-N 3.38Å
216F98.2Very high89Confident0 Ų044.1 Ų44.10%022%0.221CC..Hα-helixtrans-98.5-25.5-171.8-87.9-88.5000115.2F101 K138 L191 L195 L212 A213 P218 T219 L220 L258F101-F216 HydrophobicContact CB-CE2 3.82Å; F101-F216 AromaticContact CD1-CE2 3.46Å; F101-F216 HydrophobicContact CD1-CE2 3.46Å; F101-F216 VanDerWaalsContact CD1-CE2 3.46Å; F101-F216 AromaticContact CD1-CZ 3.46Å; F101-F216 HydrophobicContact CD1-CZ 3.46Å; F101-F216 VanDerWaalsContact CD1-CZ 3.46Å; F101-F216 AromaticContact CD2-CE2 3.96Å; F101-F216 HydrophobicContact CD2-CE2 3.96Å; F101-F216 AromaticContact CE1-CE2 3.93Å; F101-F216 HydrophobicContact CE1-CE2 3.93Å; F101-F216 AromaticContact CE1-CZ 3.56Å; F101-F216 HydrophobicContact CE1-CZ 3.56Å; F101-F216 HydrophobicContact CE2-CE2 4.34Å; F101-F216 AromaticContact CG-CE2 3.48Å; F101-F216 HydrophobicContact CG-CE2 3.48Å; F101-F216 VanDerWaalsContact CG-CE2 3.48Å; F101-F216 AromaticContact CG-CZ 3.99Å; F101-F216 HydrophobicContact CG-CZ 3.99Å; F101-F216 HydrophobicContact CZ-CE2 4.34Å; F101-F216 HydrophobicContact CZ-CZ 4.13Å; K138-F216 HydrophobicContact CD-CE2 4.44Å; K138-F216 HydrophobicContact CD-CZ 4.32Å; K138-F216 HydrophobicContact CG-CD1 4.34Å; K138-F216 HydrophobicContact CG-CE1 3.68Å; K138-F216 HydrophobicContact CG-CE2 4.19Å; K138-F216 HydrophobicContact CG-CZ 3.6Å; L191-F216 HydrophobicContact CD1-CD1 4.5Å; L191-F216 HydrophobicContact CD1-CE1 3.89Å; L191-F216 HydrophobicContact CD1-CZ 4.26Å; L191-F216 HydrophobicContact CD2-CD1 4.34Å; L191-F216 HydrophobicContact CD2-CE1 4.4Å; L195-F216 HydrophobicContact CD1-CD2 3.99Å; L195-F216 HydrophobicContact CD1-CE2 4.31Å; L195-F216 HydrophobicContact CD1-CG 4.11Å; L195-F216 HydrophobicContact CD2-CD2 3.8Å; L195-F216 HydrophobicContact CD2-CE2 3.37Å; L195-F216 HydrophobicContact CD2-CZ 3.86Å; L195-F216 HydrophobicContact CG-CE2 4.45Å; L212-F216 PolarHBondContact O-N 2.98Å; A213-F216 PolarHBondContact O-N 3.49Å; F216-P218 VanDerWaalsContact C-CD 3.44Å; F216-P218 VanDerWaalsContact C-N 3.3Å; F216-T219 WeakPolarHBondContact O-CA 3.4Å; F216-T219 WeakPolarHBondContact O-CB 3.27Å; F216-T219 PolarHBondContact O-N 2.9Å; F216-L220 HydrophobicContact CB-CD1 4.06Å; F216-L220 HydrophobicContact CB-CG 4.37Å; F216-L220 HydrophobicContact CD1-CD1 4.19Å; F216-L220 HydrophobicContact CD1-CD2 4.41Å; F216-L220 HydrophobicContact CD1-CG 4.27Å; F216-L220 WeakPolarHBondContact O-CG 3.4Å; F216-L220 PolarHBondContact O-N 3.37Å; F216-L258 HydrophobicContact CB-CD2 3.59Å
217A96.5Very high86.2Confident0 Ų040.4 Ų40.40%021%0.208CC..Hα-helixtrans-53.3-42.4-18000000112.9A213 T219 L220 F221 A254 Q255 L258A213-A217 WeakPolarHBondContact O-CB 3.28Å; A213-A217 PolarHBondContact O-N 3.48Å; A217-T219 PolarHBondContact O-N 3.16Å; A217-T219 VanDerWaalsContact O-N 3.08Å; A217-L220 PolarHBondContact O-N 2.85Å; A217-F221 HydrophobicContact CB-CD2 4.2Å; A217-F221 HydrophobicContact CB-CE2 4.37Å; A217-F221 WeakPolarHBondContact O-CD2 3.39Å; A217-F221 PolarHBondContact O-N 3.06Å; A217-A254 HydrophobicContact CB-CB 3.97Å; A217-Q255 HydrophobicContact CB-CG 3.78Å; A217-L258 HydrophobicContact CB-CD2 4.49Å
218P92.4Very high83Confident29 Ų2944.3 Ų44.319%0.18823%0.232CC..Hα-helixtrans-746.3175.2-12.228.9000114.8I214 F216 W233I214-P218 WeakPolarHBondContact O-CD 3.33Å; F216-P218 VanDerWaalsContact C-CD 3.44Å; F216-P218 VanDerWaalsContact C-N 3.3Å; P218-W233 WeakPolarHBondContact O-CH2 3.43Å; P218-W233 VanDerWaalsContact O-CZ3 3.26Å; P218-W233 WeakPolarHBondContact O-CZ3 3.42Å
219T93.7Very high80Confident14 Ų1448.6 Ų48.69%0.08626%0.261CS..Hα-helixtrans-111.8-33.4175.4-58.10000110.8K138 F141 R142 F216 A217K138-T219 WeakPolarHBondContact O-CG2 3.49Å; F141-T219 HydrophobicContact CB-CG2 3.53Å; R142-T219 HydrophobicContact CB-CG2 4.02Å; F216-T219 WeakPolarHBondContact O-CA 3.4Å; F216-T219 WeakPolarHBondContact O-CB 3.27Å; F216-T219 PolarHBondContact O-N 2.9Å; A217-T219 PolarHBondContact O-N 3.16Å; A217-T219 VanDerWaalsContact O-N 3.08Å
220L97Very high76.8Confident1 Ų156.7 Ų56.71%0.00529%0.291CS..Hα-helixtrans-100.7-23.6-169.6-55.7-179000114.4F141 P147 L148 L149 L191 F216 A217 L258F141-L220 HydrophobicContact CB-CD2 3.96Å; F141-L220 HydrophobicContact CD1-CD2 4.16Å; F141-L220 HydrophobicContact CG-CD2 3.97Å; P147-L220 WeakPolarHBondContact CB-O 3.17Å; L148-L220 HydrophobicContact CB-CD2 4.05Å; L148-L220 HydrophobicContact CD2-CD2 3.96Å; L149-L220 WeakPolarHBondContact CB-O 3.33Å; L149-L220 HydrophobicContact CD1-CB 4.42Å; L149-L220 PolarHBondContact N-O 3.43Å; L149-L220 VanDerWaalsContact N-O 3.11Å; L191-L220 HydrophobicContact CD2-CD1 3.55Å; L191-L220 HydrophobicContact CD2-CD2 3.56Å; L191-L220 HydrophobicContact CD2-CG 4.18Å; F216-L220 HydrophobicContact CB-CD1 4.06Å; F216-L220 HydrophobicContact CB-CG 4.37Å; F216-L220 HydrophobicContact CD1-CD1 4.19Å; F216-L220 HydrophobicContact CD1-CD2 4.41Å; F216-L220 HydrophobicContact CD1-CG 4.27Å; F216-L220 WeakPolarHBondContact O-CG 3.4Å; F216-L220 PolarHBondContact O-N 3.37Å; A217-L220 PolarHBondContact O-N 2.85Å; L220-L258 HydrophobicContact CD1-CD1 4.11Å; L220-L258 HydrophobicContact CD1-CD2 3.98Å
221F94.9Very high73.9Confident0 Ų059.3 Ų59.30%031%0.312CS..SBendtrans-107144.8-176.4-65.4-105000111.2L149 F157 L158 A217 I223 W233 A254 A257 L258L149-F221 HydrophobicContact CD1-CD1 3.66Å; L149-F221 HydrophobicContact CD1-CD2 3.75Å; L149-F221 HydrophobicContact CD1-CE1 3.27Å; L149-F221 HydrophobicContact CD1-CE2 3.36Å; L149-F221 HydrophobicContact CD1-CG 3.9Å; L149-F221 HydrophobicContact CD1-CZ 3.11Å; F157-F221 HydrophobicContact CB-CD1 4.48Å; F157-F221 HydrophobicContact CB-CE1 3.72Å; F157-F221 HydrophobicContact CD2-CE1 4.47Å; F157-F221 HydrophobicContact CG-CE1 4.3Å; L158-F221 HydrophobicContact CD1-CD1 3.54Å; L158-F221 HydrophobicContact CD1-CE1 4.07Å; L158-F221 HydrophobicContact CD1-CG 4.4Å; A217-F221 HydrophobicContact CB-CD2 4.2Å; A217-F221 HydrophobicContact CB-CE2 4.37Å; A217-F221 WeakPolarHBondContact O-CD2 3.39Å; A217-F221 PolarHBondContact O-N 3.06Å; F221-I223 HydrophobicContact CB-CD1 4.39Å; F221-I223 HydrophobicContact CB-CG1 4.02Å; F221-I223 PolarHBondContact O-N 3.03Å; F221-W233 WeakPolarHBondContact O-CH2 3.46Å; F221-W233 WeakPolarHBondContact O-CZ2 3.37Å; F221-A254 HydrophobicContact CB-CB 4.31Å; F221-A254 HydrophobicContact CD1-CB 4.02Å; F221-A254 HydrophobicContact CD2-CB 4.04Å; F221-A254 HydrophobicContact CE1-CB 4.28Å; F221-A254 HydrophobicContact CE2-CB 4.33Å; F221-A254 HydrophobicContact CG-CB 3.88Å; F221-A254 HydrophobicContact CZ-CB 4.43Å; F221-A254 WeakPolarHBondContact CZ-O 3.42Å; F221-A257 HydrophobicContact CE1-CB 4.25Å; F221-A257 HydrophobicContact CZ-CB 4.09Å; F221-L258 HydrophobicContact CE2-CB 3.94Å; F221-L258 HydrophobicContact CE2-CD2 4.29Å; F221-L258 HydrophobicContact CZ-CB 4.15Å
222Y87Confident71.2Confident71 Ų7161 Ų6128%0.27832%0.321SS..  trans-80.1107.6161.7-174.6-105.1000109.6N151 S154 R224 W233N151-Y222 WeakPolarHBondContact OD1-CD2 3.24Å; N151-Y222 VanDerWaalsContact OD1-CG 3.32Å; S154-Y222 PolarHBondContact OG-N 3.49Å; Y222-R224 HydrophobicContact CD1-CG 4.17Å; Y222-R224 HydrophobicContact CE1-CG 3.43Å; Y222-R224 VanDerWaalsContact CE1-CG 3.43Å; Y222-W233 HydrophobicContact CD2-CB 4.34Å; Y222-W233 AromaticContact CD2-CD1 3.26Å; Y222-W233 HydrophobicContact CD2-CD2 4.49Å; Y222-W233 AromaticContact CD2-CG 3.78Å; Y222-W233 HydrophobicContact CD2-CG 3.78Å; Y222-W233 AromaticContact CD2-NE1 3.67Å; Y222-W233 HydrophobicContact CE2-CB 4.11Å; Y222-W233 AromaticContact CE2-CD1 3.15Å; Y222-W233 AromaticContact CE2-CG 3.82Å; Y222-W233 HydrophobicContact CE2-CG 3.82Å; Y222-W233 AromaticContact CE2-NE1 3.92Å
223I75Confident68.7Low9 Ų964.5 Ų64.55%0.04633%0.334CS..  trans-112.1112.2175.3-56175.4000107F221 S225 W233 E250 N251 A254F221-I223 HydrophobicContact CB-CD1 4.39Å; F221-I223 HydrophobicContact CB-CG1 4.02Å; F221-I223 PolarHBondContact O-N 3.03Å; I223-S225 PolarHBondContact O-N 3.05Å; I223-W233 HydrophobicContact CB-CZ2 4.24Å; I223-W233 PolarHBondContact O-NE1 2.91Å; I223-E250 HydrophobicContact CG2-CB 4.16Å; I223-N251 WeakPolarHBondContact CD1-OD1 3.35Å; I223-A254 HydrophobicContact CD1-CB 3.83Å; I223-A254 HydrophobicContact CG1-CB 4.49Å
224R65Low66.2Low164 Ų16473.6 Ų73.662%0.61937%0.368SS*.  trans-62.999-175.8-70.3-177.3-171.3-166.17.3109.2Y222Y222-R224 HydrophobicContact CD1-CG 4.17Å; Y222-R224 HydrophobicContact CE1-CG 3.43Å; Y222-R224 VanDerWaalsContact CE1-CG 3.43Å
225S51.2Low63.5Low61 Ų6178 Ų7843%0.42738%0.379SS..  trans-82.8136.8160.8-172.50000107.4I223 A227 E247I223-S225 PolarHBondContact O-N 3.05Å; S225-A227 PolarHBondContact O-N 3.35Å; S225-E247 VanDerWaalsContact CA-OE1 3.3Å; S225-E247 WeakPolarHBondContact CA-OE1 3.4Å; S225-E247 PolarHBondContact OG-OE1 3.3Å
226M36.7Very low60.5Low172 Ų17283.9 Ų83.985%0.84740%0.402SS*.SBendtrans-60.32.3-178.4-127.5-175.8-80.900114.5T228 E247M226-T228 PolarHBondContact O-N 2.92Å; M226-T228 VanDerWaalsContact O-N 3.13Å; M226-E247 PolarHBondContact N-OE1 3.28Å
227A37.8Very low57.5Low26 Ų2688.9 Ų88.922%0.21543%0.432CS..SBendtrans-76.795.2173.500000111.9S225 K236S225-A227 PolarHBondContact O-N 3.35Å; A227-K236 VanDerWaalsContact CB-O 3.28Å; A227-K236 WeakPolarHBondContact CB-O 3.14Å
228T31.3Very low54.5Low83 Ų8395.6 Ų95.651%0.50947%0.466SS..  trans85.5127156.476.30000118.4M226 Y230M226-T228 PolarHBondContact O-N 2.92Å; M226-T228 VanDerWaalsContact O-N 3.13Å; T228-Y230 PolarHBondContact O-N 3.44Å; T228-Y230 PolarHBondContact OG1-O 3.02Å
229T35.4Very low52.4Low149 Ų149101.1 Ų101.191%0.91450%0.5SS*.SBendtrans-64.94.7167-36.80000113.1
230Y32.1Very low50.2Low177 Ų177104.8 Ų104.869%0.69453%0.526SS*.SBendtrans-102.6138.8172.3-68.4-80000108.7T228 N232T228-Y230 PolarHBondContact O-N 3.44Å; T228-Y230 PolarHBondContact OG1-O 3.02Å; Y230-N232 PolarHBondContact O-N 3.32Å
231P38Very low48.5Very low124 Ų124107.9 Ų107.981%0.80556%0.558SS**SBendtrans-69.919.8-173.230.9-35.6000114W233P231-W233 PolarHBondContact O-N 2.98Å
232N41.1Very low47.3Very low87 Ų87116.3 Ų116.347%0.46560%0.595SS.*  trans-72.279.9162-73.1-28.8000107.9Y230 R234Y230-N232 PolarHBondContact O-N 3.32Å; N232-R234 HydrophobicContact CB-CB 4.23Å; N232-R234 HydrophobicContact CB-CG 4.3Å; N232-R234 PolarHBondContact O-N 3.4Å
233W46.3Very low46.7Very low73 Ų73117 Ų11728%0.27761%0.608SS.*  trans-56.1-3.7165.9-168.570.2000113P218 F221 Y222 I223 P231 R235P218-W233 WeakPolarHBondContact O-CH2 3.43Å; P218-W233 VanDerWaalsContact O-CZ3 3.26Å; P218-W233 WeakPolarHBondContact O-CZ3 3.42Å; F221-W233 WeakPolarHBondContact O-CH2 3.46Å; F221-W233 WeakPolarHBondContact O-CZ2 3.37Å; Y222-W233 HydrophobicContact CD2-CB 4.34Å; Y222-W233 AromaticContact CD2-CD1 3.26Å; Y222-W233 HydrophobicContact CD2-CD2 4.49Å; Y222-W233 AromaticContact CD2-CG 3.78Å; Y222-W233 HydrophobicContact CD2-CG 3.78Å; Y222-W233 AromaticContact CD2-NE1 3.67Å; Y222-W233 HydrophobicContact CE2-CB 4.11Å; Y222-W233 AromaticContact CE2-CD1 3.15Å; Y222-W233 AromaticContact CE2-CG 3.82Å; Y222-W233 HydrophobicContact CE2-CG 3.82Å; Y222-W233 AromaticContact CE2-NE1 3.92Å; I223-W233 HydrophobicContact CB-CZ2 4.24Å; I223-W233 PolarHBondContact O-NE1 2.91Å; P231-W233 PolarHBondContact O-N 2.98Å; W233-R235 PolarHBondContact O-N 2.97Å
234R44.8Very low47Very low192 Ų192118.6 Ų118.673%0.72562%0.62SS**SBendtrans-48.6106.4163.7-59.7-175.9-170.8-170.82.8110.3N232 K236N232-R234 HydrophobicContact CB-CB 4.23Å; N232-R234 HydrophobicContact CB-CG 4.3Å; N232-R234 PolarHBondContact O-N 3.4Å; R234-K236 PolarHBondContact O-N 3.07Å
235R42.8Very low48Very low177 Ų177117.2 Ų117.267%0.66862%0.621SS**  trans-43.494167.5-145.5-178.2-81148.9-8.7110.6W233W233-R235 PolarHBondContact O-N 2.97Å
236K33.6Very low49.6Very low153 Ų153121 Ų12167%0.66563%0.629SS**  trans-112.388.3161.8-80.7-168.5177.7-176.20107.1A227 R234 I238A227-K236 VanDerWaalsContact CB-O 3.28Å; A227-K236 WeakPolarHBondContact CB-O 3.14Å; R234-K236 PolarHBondContact O-N 3.07Å; K236-I238 PolarHBondContact O-N 2.61Å; K236-I238 VanDerWaalsContact O-N 3.07Å
237T34.2Very low51.9Low104 Ų104114 Ų11464%0.63860%0.595SS**  trans-64.298.5174.6-11.40000108.8
238I35.1Very low54.3Low141 Ų141116.6 Ų116.672%0.72360%0.604SS**  trans-143.698.9167.3-52.6-179.5000108.9K236K236-I238 PolarHBondContact O-N 2.61Å; K236-I238 VanDerWaalsContact O-N 3.07Å
239T46.5Very low57.1Low146 Ų146117.7 Ų117.790%0.89660%0.602SS**SBend165.4-22.5126.832.50000113.4
240S47.6Very low59.8Low91 Ų91111.7 Ų111.764%0.63656%0.564SS**  trans-133.6115.9160.356.80000107.6F242S240-F242 PolarHBondContact O-N 3.3Å
241G61.8Low62.6Low65 Ų65105.3 Ų105.367%0.6754%0.542SS*.SBendtrans-655.1-170.800000115.5
242F70.2Confident65.4Low178 Ų178106.9 Ų106.978%0.78153%0.531SS*.SBendtrans-114.1128.2-175.2-66.2-77.7000110.9S240 S244S240-F242 PolarHBondContact O-N 3.3Å; F242-S244 PolarHBondContact O-N 3.05Å
243P74.1Confident68Low84 Ų84103 Ų10355%0.54551%0.511SS..  trans-55.9134.3168.3-20.331.1000110.1E247P243-E247 WeakPolarHBondContact CA-OE2 3.18Å; P243-E247 HydrophobicContact CB-CB 4.24Å
244S82.2Confident70.4Confident43 Ų4399.5 Ų99.530%0.30150%0.498SS..  trans-59.7156.7170.8620000111.2F242 K246 E247 L248F242-S244 PolarHBondContact O-N 3.05Å; S244-K246 PolarHBondContact O-N 3Å; S244-E247 PolarHBondContact N-OE2 3.03Å; S244-E247 PolarHBondContact O-N 3.3Å; S244-E247 WeakPolarHBondContact OG-CB 3.42Å; S244-E247 VanDerWaalsContact OG-CG 3.24Å; S244-E247 WeakPolarHBondContact OG-CG 3.43Å; S244-E247 PolarHBondContact OG-N 3.24Å; S244-E247 VanDerWaalsContact OG-N 3.17Å; S244-E247 PolarHBondContact OG-OE2 3.47Å; S244-L248 PolarHBondContact O-N 2.77Å
245E85Confident72.9Confident136 Ų13692.7 Ų92.764%0.63648%0.475SS*.Hα-helixtrans-56.2-35.3175.8-168.4-170.8160.900111.7L248 K249E245-L248 PolarHBondContact O-N 3.02Å; E245-K249 WeakPolarHBondContact O-CG 3.14Å; E245-K249 PolarHBondContact O-N 2.87Å; E245-K249 WeakPolarHBondContact OE1-CE 3.4Å; E245-K249 IonicContact OE1-NZ 3.82Å; E245-K249 PolarHBondContact OE1-NZ 3.45Å
246K85.4Confident75.5Confident139 Ų13986.1 Ų86.160%0.60446%0.458SS*.Hα-helixtrans-62.4-51.4173.9-179177.8171.7178.40111.7S244 L248 K249 E250S244-K246 PolarHBondContact O-N 3Å; K246-L248 VanDerWaalsContact C-N 3.25Å; K246-L248 PolarHBondContact O-N 2.81Å; K246-K249 PolarHBondContact O-N 2.73Å; K246-K249 VanDerWaalsContact O-N 3.17Å; K246-E250 WeakPolarHBondContact CE-OE1 3.48Å; K246-E250 IonicContact NZ-OE1 3.94Å; K246-E250 WeakPolarHBondContact O-CG 3.37Å; K246-E250 PolarHBondContact O-N 3.04Å
247E84.7Confident78.6Confident27 Ų2778.9 Ų78.913%0.12643%0.427CS..Hα-helixtrans-60.3-36.9177.5-74.9165143.100111.4S225 M226 P243 S244 E250 N251S225-E247 VanDerWaalsContact CA-OE1 3.3Å; S225-E247 WeakPolarHBondContact CA-OE1 3.4Å; S225-E247 PolarHBondContact OG-OE1 3.3Å; M226-E247 PolarHBondContact N-OE1 3.28Å; P243-E247 WeakPolarHBondContact CA-OE2 3.18Å; P243-E247 HydrophobicContact CB-CB 4.24Å; S244-E247 PolarHBondContact N-OE2 3.03Å; S244-E247 PolarHBondContact O-N 3.3Å; S244-E247 WeakPolarHBondContact OG-CB 3.42Å; S244-E247 VanDerWaalsContact OG-CG 3.24Å; S244-E247 WeakPolarHBondContact OG-CG 3.43Å; S244-E247 PolarHBondContact OG-N 3.24Å; S244-E247 VanDerWaalsContact OG-N 3.17Å; S244-E247 PolarHBondContact OG-OE2 3.47Å; E247-E250 PolarHBondContact O-N 2.72Å; E247-N251 WeakPolarHBondContact O-CB 3.33Å; E247-N251 PolarHBondContact O-N 3.23Å; E247-N251 PolarHBondContact O-ND2 2.96Å
248L87.9Confident81.6Confident79 Ų7973.9 Ų73.941%0.41440%0.396SS..Hα-helixtrans-66.4-41.7176.5-170.764000111.8S244 E245 K246 N251 R252S244-L248 PolarHBondContact O-N 2.77Å; E245-L248 PolarHBondContact O-N 3.02Å; K246-L248 VanDerWaalsContact C-N 3.25Å; K246-L248 PolarHBondContact O-N 2.81Å; L248-N251 PolarHBondContact O-N 3.42Å; L248-R252 WeakPolarHBondContact O-CG 2.97Å; L248-R252 PolarHBondContact O-N 2.86Å
249K90.5Very high84.6Confident107 Ų10767.3 Ų67.347%0.46536%0.363SS..Hα-helixtrans-63.3-43.8174.2-75.4175.8-176.6168.60111.7L162 E245 K246 R252 A253L162-K249 HydrophobicContact CD2-CB 4.46Å; E245-K249 WeakPolarHBondContact O-CG 3.14Å; E245-K249 PolarHBondContact O-N 2.87Å; E245-K249 WeakPolarHBondContact OE1-CE 3.4Å; E245-K249 IonicContact OE1-NZ 3.82Å; E245-K249 PolarHBondContact OE1-NZ 3.45Å; K246-K249 PolarHBondContact O-N 2.73Å; K246-K249 VanDerWaalsContact O-N 3.17Å; K249-R252 PolarHBondContact O-N 3.04Å; K249-A253 WeakPolarHBondContact O-CB 3.15Å; K249-A253 PolarHBondContact O-N 3.26Å
250E91.2Very high87.1Confident23 Ų2361.4 Ų61.411%0.10733%0.325CS..Hα-helixtrans-64.5-41.7177.6-73-178.4-176.100112.2L158 I223 K246 E247 A253 A254L158-E250 HydrophobicContact CD2-CB 3.69Å; L158-E250 HydrophobicContact CD2-CG 3.94Å; I223-E250 HydrophobicContact CG2-CB 4.16Å; K246-E250 WeakPolarHBondContact CE-OE1 3.48Å; K246-E250 IonicContact NZ-OE1 3.94Å; K246-E250 WeakPolarHBondContact O-CG 3.37Å; K246-E250 PolarHBondContact O-N 3.04Å; E247-E250 PolarHBondContact O-N 2.72Å; E250-A253 WeakPolarHBondContact O-CB 3.04Å; E250-A253 PolarHBondContact O-N 3.13Å; E250-A254 PolarHBondContact O-N 3.13Å
251N92.1Very high89.5Confident42 Ų4257 Ų5723%0.22530%0.295CS..Hα-helixtrans-61.4-46.5173.9-80.6-61.1000112I223 E247 L248 A253 A254 Q255I223-N251 WeakPolarHBondContact CD1-OD1 3.35Å; E247-N251 WeakPolarHBondContact O-CB 3.33Å; E247-N251 PolarHBondContact O-N 3.23Å; E247-N251 PolarHBondContact O-ND2 2.96Å; L248-N251 PolarHBondContact O-N 3.42Å; N251-A253 VanDerWaalsContact C-N 3.29Å; N251-A253 PolarHBondContact O-N 2.8Å; N251-A254 PolarHBondContact O-N 3.13Å; N251-Q255 WeakPolarHBondContact O-CG 3.44Å; N251-Q255 PolarHBondContact O-N 3.24Å
252R95.1Very high91.3Very high157 Ų15754 Ų5459%0.59226%0.263SS*.Hα-helixtrans-62.1-37.7176-72.5177.8-176.6178.91.9112L248 K249 Q255 A256L248-R252 WeakPolarHBondContact O-CG 2.97Å; L248-R252 PolarHBondContact O-N 2.86Å; K249-R252 PolarHBondContact O-N 3.04Å; R252-Q255 PolarHBondContact O-N 2.95Å; R252-A256 WeakPolarHBondContact O-CB 3.37Å; R252-A256 PolarHBondContact O-N 3.42Å
253A96Very high92.6Very high5 Ų550.4 Ų50.44%0.04125%0.247CC..Hα-helixtrans-65.9-43.2176.500000112.5L158 S161 L162 K249 E250 N251 Q255 A256 A257L158-A253 HydrophobicContact CB-CB 4.28Å; L158-A253 HydrophobicContact CG-CB 4.16Å; S161-A253 WeakPolarHBondContact CB-O 3.38Å; S161-A253 PolarHBondContact OG-O 3.33Å; L162-A253 HydrophobicContact CD1-CB 4.08Å; L162-A253 HydrophobicContact CD2-CB 3.83Å; L162-A253 HydrophobicContact CG-CB 3.6Å; K249-A253 WeakPolarHBondContact O-CB 3.15Å; K249-A253 PolarHBondContact O-N 3.26Å; E250-A253 WeakPolarHBondContact O-CB 3.04Å; E250-A253 PolarHBondContact O-N 3.13Å; N251-A253 VanDerWaalsContact C-N 3.29Å; N251-A253 PolarHBondContact O-N 2.8Å; A253-Q255 VanDerWaalsContact C-N 3.33Å; A253-Q255 PolarHBondContact O-N 3.13Å; A253-A256 PolarHBondContact O-N 3.11Å; A253-A257 WeakPolarHBondContact O-CB 3.25Å; A253-A257 PolarHBondContact O-N 3.24Å
254A96.5Very high93.7Very high0 Ų049 Ų490%023%0.234CC..Hα-helixtrans-60.6-43.9174.800000111.6L158 A217 F221 I223 E250 N251 A257 L258L158-A254 HydrophobicContact CD1-CB 3.91Å; L158-A254 HydrophobicContact CG-CB 4.41Å; A217-A254 HydrophobicContact CB-CB 3.97Å; F221-A254 HydrophobicContact CB-CB 4.31Å; F221-A254 HydrophobicContact CD1-CB 4.02Å; F221-A254 HydrophobicContact CD2-CB 4.04Å; F221-A254 HydrophobicContact CE1-CB 4.28Å; F221-A254 HydrophobicContact CE2-CB 4.33Å; F221-A254 HydrophobicContact CG-CB 3.88Å; F221-A254 HydrophobicContact CZ-CB 4.43Å; F221-A254 WeakPolarHBondContact CZ-O 3.42Å; I223-A254 HydrophobicContact CD1-CB 3.83Å; I223-A254 HydrophobicContact CG1-CB 4.49Å; E250-A254 PolarHBondContact O-N 3.13Å; N251-A254 PolarHBondContact O-N 3.13Å; A254-A257 PolarHBondContact O-N 3.48Å; A254-L258 WeakPolarHBondContact O-CB 3.44Å; A254-L258 PolarHBondContact O-N 3.28Å
255Q97.6Very high94.3Very high50 Ų5048.6 Ų48.623%0.23423%0.225CC..Hα-helixtrans-61.4-47.6175.7-67.8165.2-6.200111.4A213 I214 A217 N251 R252 A253 A257 L258 A259A213-Q255 WeakPolarHBondContact CB-O 3.34Å; I214-Q255 HydrophobicContact CG1-CG 4.35Å; A217-Q255 HydrophobicContact CB-CG 3.78Å; N251-Q255 WeakPolarHBondContact O-CG 3.44Å; N251-Q255 PolarHBondContact O-N 3.24Å; R252-Q255 PolarHBondContact O-N 2.95Å; A253-Q255 VanDerWaalsContact C-N 3.33Å; A253-Q255 PolarHBondContact O-N 3.13Å; Q255-A257 PolarHBondContact O-N 3.33Å; Q255-L258 PolarHBondContact O-N 3.29Å; Q255-A259 WeakPolarHBondContact O-CB 3.48Å; Q255-A259 PolarHBondContact O-N 3.42Å
256A97.9Very high94.6Very high39 Ų3946.8 Ų46.832%0.32222%0.22SC..Hα-helixtrans-61.5-44.5178.100000112.3R252 A253 L258 A259 I260R252-A256 WeakPolarHBondContact O-CB 3.37Å; R252-A256 PolarHBondContact O-N 3.42Å; A253-A256 PolarHBondContact O-N 3.11Å; A256-L258 VanDerWaalsContact C-N 3.35Å; A256-L258 PolarHBondContact O-N 2.94Å; A256-A259 PolarHBondContact O-N 2.8Å; A256-I260 WeakPolarHBondContact O-CG1 3.31Å; A256-I260 PolarHBondContact O-N 3.47Å
257A98Very high95.1Very high0 Ų045.3 Ų45.30%021%0.214CC..Hα-helixtrans-57.3-48.8176.200000111.3F157 S161 F221 A253 A254 Q255 I260 M261F157-A257 HydrophobicContact CB-CB 4.2Å; S161-A257 WeakPolarHBondContact OG-CA 3.36Å; S161-A257 WeakPolarHBondContact OG-CB 3.32Å; S161-A257 PolarHBondContact OG-N 3.44Å; F221-A257 HydrophobicContact CE1-CB 4.25Å; F221-A257 HydrophobicContact CZ-CB 4.09Å; A253-A257 WeakPolarHBondContact O-CB 3.25Å; A253-A257 PolarHBondContact O-N 3.24Å; A254-A257 PolarHBondContact O-N 3.48Å; Q255-A257 PolarHBondContact O-N 3.33Å; A257-I260 PolarHBondContact O-N 2.94Å; A257-M261 HydrophobicContact CB-CE 4.27Å; A257-M261 WeakPolarHBondContact O-CG 3.45Å; A257-M261 PolarHBondContact O-N 3.1Å
258L98.5Very high95.6Very high0 Ų044 Ų440%021%0.208CC..Hα-helixtrans-68.2-39.2-179.1-176.856.8000112.3A213 F216 A217 L220 F221 A254 Q255 A256 I260 M261 I262A213-L258 HydrophobicContact CB-CB 4.01Å; A213-L258 HydrophobicContact CB-CD2 4.23Å; A213-L258 HydrophobicContact CB-CG 4.04Å; F216-L258 HydrophobicContact CB-CD2 3.59Å; A217-L258 HydrophobicContact CB-CD2 4.49Å; L220-L258 HydrophobicContact CD1-CD1 4.11Å; L220-L258 HydrophobicContact CD1-CD2 3.98Å; F221-L258 HydrophobicContact CE2-CB 3.94Å; F221-L258 HydrophobicContact CE2-CD2 4.29Å; F221-L258 HydrophobicContact CZ-CB 4.15Å; A254-L258 WeakPolarHBondContact O-CB 3.44Å; A254-L258 PolarHBondContact O-N 3.28Å; Q255-L258 PolarHBondContact O-N 3.29Å; A256-L258 VanDerWaalsContact C-N 3.35Å; A256-L258 PolarHBondContact O-N 2.94Å; L258-I260 VanDerWaalsContact C-N 3.3Å; L258-I260 PolarHBondContact O-N 3.34Å; L258-M261 WeakPolarHBondContact O-CB 3.42Å; L258-M261 PolarHBondContact O-N 3.2Å; L258-M261 VanDerWaalsContact O-N 3.09Å; L258-I262 HydrophobicContact CD1-CD1 4.32Å; L258-I262 HydrophobicContact CD1-CG1 4.34Å; L258-I262 HydrophobicContact CG-CD1 4.01Å; L258-I262 HydrophobicContact CG-CG1 4.49Å; L258-I262 WeakPolarHBondContact O-CG1 3.49Å; L258-I262 PolarHBondContact O-N 2.79Å
259A98.6Very high96Very high3 Ų341 Ų413%0.02519%0.191CC..Hα-helixtrans-60.2-41.517500000111.3D210 A213 Q255 A256 M261 I262 K263D210-A259 WeakPolarHBondContact OD1-CB 3.34Å; A213-A259 HydrophobicContact CB-CB 3.9Å; Q255-A259 WeakPolarHBondContact O-CB 3.48Å; Q255-A259 PolarHBondContact O-N 3.42Å; A256-A259 PolarHBondContact O-N 2.8Å; A259-M261 VanDerWaalsContact C-N 3.35Å; A259-M261 PolarHBondContact O-N 2.92Å; A259-I262 PolarHBondContact O-N 3.09Å; A259-K263 WeakPolarHBondContact O-CB 3.42Å; A259-K263 VanDerWaalsContact O-CG 3.25Å; A259-K263 WeakPolarHBondContact O-CG 3.33Å; A259-K263 PolarHBondContact O-N 3.47Å
260I98.4Very high96.2Very high21 Ų2139.4 Ų39.411%0.10819%0.185CC..Hα-helixtrans-61.2-44172.8-67.3166.6000110.6K169 I170 I173 A256 A257 L258 I262 K263 Q264K169-I260 HydrophobicContact CB-CD1 4.03Å; K169-I260 HydrophobicContact CD-CD1 4.02Å; I170-I260 HydrophobicContact CG1-CG2 3.84Å; I173-I260 HydrophobicContact CD1-CB 3.81Å; I173-I260 HydrophobicContact CD1-CD1 3.98Å; I173-I260 HydrophobicContact CD1-CG2 3.62Å; A256-I260 WeakPolarHBondContact O-CG1 3.31Å; A256-I260 PolarHBondContact O-N 3.47Å; A257-I260 PolarHBondContact O-N 2.94Å; L258-I260 VanDerWaalsContact C-N 3.3Å; L258-I260 PolarHBondContact O-N 3.34Å; I260-I262 PolarHBondContact O-N 3.16Å; I260-K263 PolarHBondContact O-N 2.81Å; I260-Q264 HydrophobicContact CG2-CG 4.42Å; I260-Q264 WeakPolarHBondContact O-CB 3.33Å; I260-Q264 PolarHBondContact O-N 2.96Å
261M98.6Very high96.4Very high0 Ų038.6 Ų38.60%018%0.182CC..Hα-helixtrans-60.3-44177.7-65.7178.1-148.500112.6L149 F157 I173 L188 V192 A257 L258 A259 Q264 R265 V268L149-M261 HydrophobicContact CD1-CE 4.46Å; F157-M261 HydrophobicContact CD1-CE 3.33Å; F157-M261 HydrophobicContact CE1-CE 3.41Å; F157-M261 VanDerWaalsContact CE1-CE 3.41Å; F157-M261 HydrophobicContact CG-CE 3.97Å; F157-M261 HydrophobicContact CZ-CE 4.13Å; I173-M261 HydrophobicContact CG2-CE 4.1Å; I173-M261 HydrophobicContact CG2-CG 3.75Å; L188-M261 HydrophobicContact CD2-SD 4.29Å; V192-M261 HydrophobicContact CG1-CB 4.43Å; V192-M261 VanDerWaalsContact CG1-O 3.23Å; V192-M261 WeakPolarHBondContact CG1-O 3.37Å; V192-M261 HydrophobicContact CG2-CB 4.22Å; A257-M261 HydrophobicContact CB-CE 4.27Å; A257-M261 WeakPolarHBondContact O-CG 3.45Å; A257-M261 PolarHBondContact O-N 3.1Å; L258-M261 WeakPolarHBondContact O-CB 3.42Å; L258-M261 PolarHBondContact O-N 3.2Å; L258-M261 VanDerWaalsContact O-N 3.09Å; A259-M261 VanDerWaalsContact C-N 3.35Å; A259-M261 PolarHBondContact O-N 2.92Å; M261-Q264 CarbonylContact O-C 3.59Å; M261-R265 VanDerWaalsContact O-CA 3.31Å; M261-R265 WeakPolarHBondContact O-CA 3.34Å; M261-R265 PolarHBondContact O-N 2.82Å; M261-R265 VanDerWaalsContact O-N 3.07Å; M261-V268 HydrophobicContact CG-CG1 4.32Å
262I98.6Very high96.4Very high0 Ų036.7 Ų36.70%017%0.172CC..Hα-helixtrans-66-48178.2-62.9165.3000110.5L195 N196 A199 A209 L212 A213 L258 A259 I260L195-I262 HydrophobicContact CB-CD1 3.96Å; L195-I262 HydrophobicContact CB-CG1 3.91Å; L195-I262 HydrophobicContact CB-CG2 4.25Å; L195-I262 HydrophobicContact CD1-CD1 3.85Å; L195-I262 HydrophobicContact CD1-CG1 4.21Å; N196-I262 HydrophobicContact CB-CG2 4.31Å; N196-I262 PolarHBondContact ND2-O 3.31Å; A199-I262 HydrophobicContact CB-CG2 4.26Å; A209-I262 HydrophobicContact CB-CB 3.96Å; A209-I262 HydrophobicContact CB-CG2 3.55Å; L212-I262 HydrophobicContact CB-CD1 4.15Å; A213-I262 HydrophobicContact CB-CD1 4.41Å; L258-I262 HydrophobicContact CD1-CD1 4.32Å; L258-I262 HydrophobicContact CD1-CG1 4.34Å; L258-I262 HydrophobicContact CG-CD1 4.01Å; L258-I262 HydrophobicContact CG-CG1 4.49Å; L258-I262 WeakPolarHBondContact O-CG1 3.49Å; L258-I262 PolarHBondContact O-N 2.79Å; A259-I262 PolarHBondContact O-N 3.09Å; I260-I262 PolarHBondContact O-N 3.16Å
263K98.3Very high96.2Very high103 Ų10336.4 Ų36.445%0.44818%0.177SC..Hα-helixtrans-66.2-38.6-178.7-71.5170.7179.3171.80112.7A209 D210 A259 I260A209-K263 HydrophobicContact CB-CD 4.31Å; A209-K263 HydrophobicContact CB-CG 3.59Å; D210-K263 IonicContact OD1-NZ 2.82Å; D210-K263 PolarHBondContact OD1-NZ 2.73Å; D210-K263 VanDerWaalsContact OD2-CE 3.25Å; D210-K263 WeakPolarHBondContact OD2-CE 3.22Å; D210-K263 IonicContact OD2-NZ 2.65Å; D210-K263 PolarHBondContact OD2-NZ 2.87Å; A259-K263 WeakPolarHBondContact O-CB 3.42Å; A259-K263 VanDerWaalsContact O-CG 3.25Å; A259-K263 WeakPolarHBondContact O-CG 3.33Å; A259-K263 PolarHBondContact O-N 3.47Å; I260-K263 PolarHBondContact O-N 2.81Å
264Q96.9Very high96.1Very high56 Ų5637.9 Ų37.926%0.26218%0.184SC..THydrogen-bonded Turntrans-107.831-175.3-57.3-66-49.800112I170 I260 M261 D266 K267 V268I170-Q264 HydrophobicContact CD1-CG 3.84Å; I170-Q264 HydrophobicContact CG1-CG 4.2Å; I260-Q264 HydrophobicContact CG2-CG 4.42Å; I260-Q264 WeakPolarHBondContact O-CB 3.33Å; I260-Q264 PolarHBondContact O-N 2.96Å; M261-Q264 CarbonylContact O-C 3.59Å; Q264-D266 PolarHBondContact O-N 2.9Å; Q264-D266 VanDerWaalsContact O-N 3.1Å; Q264-K267 HydrophobicContact CB-CB 4.45Å; Q264-K267 PolarHBondContact O-N 3.49Å; Q264-V268 HydrophobicContact CB-CG2 4.26Å; Q264-V268 WeakPolarHBondContact O-CG2 3.44Å; Q264-V268 PolarHBondContact O-N 3.42Å
265R95.3Very high95.9Very high33 Ų3337.9 Ų37.913%0.12518%0.184CC..Hα-helixtrans-43.4-47.4-178.1176.5-89.6-159.5-166-0.3112.4Y189 V192 H193 N196 M261 K267 V268 F269Y189-R265 PolarHBondContact OH-NH1 2.87Å; Y189-R265 PolarHBondContact OH-NH2 2.78Å; V192-R265 HydrophobicContact CG1-CB 3.98Å; V192-R265 HydrophobicContact CG1-CG 3.9Å; H193-R265 PolarHBondContact CE1-NH2 3.41Å; H193-R265 VanDerWaalsContact CG-NH2 3.27Å; H193-R265 PolarHBondContact ND1-NE 3Å; H193-R265 PolarHBondContact ND1-NH2 3.11Å; N196-R265 HydrophobicContact CB-CB 4.1Å; N196-R265 HydrophobicContact CB-CG 4.21Å; M261-R265 VanDerWaalsContact O-CA 3.31Å; M261-R265 WeakPolarHBondContact O-CA 3.34Å; M261-R265 PolarHBondContact O-N 2.82Å; M261-R265 VanDerWaalsContact O-N 3.07Å; R265-K267 VanDerWaalsContact C-N 3.33Å; R265-K267 PolarHBondContact O-N 3.15Å; R265-V268 PolarHBondContact O-N 2.9Å; R265-F269 WeakPolarHBondContact O-CD2 3.4Å
266D90.6Very high95.6Very high99 Ų9936.4 Ų36.453%0.52918%0.18SC..Hα-helixtrans-70-26.6-178-59.2-38.3000113.6Q264 H270Q264-D266 PolarHBondContact O-N 2.9Å; Q264-D266 VanDerWaalsContact O-N 3.1Å; D266-H270 PolarHBondContact O-CE1 2.83Å; D266-H270 PolarHBondContact O-ND1 3.28Å
267K95.1Very high95.3Very high108 Ų10841.3 Ų41.347%0.4720%0.195SC..Hα-helixtrans-85.7-35.8177.1-62.3-175.5-171.3158.80112.6I170 R174 Q264 R265 F269 H270I170-K267 HydrophobicContact CG2-CB 4.47Å; R174-K267 WeakPolarHBondContact CD-O 3.39Å; R174-K267 WeakPolarHBondContact CG-O 3.44Å; R174-K267 PolarHBondContact NE-O 2.92Å; R174-K267 VanDerWaalsContact NE-O 3.08Å; Q264-K267 HydrophobicContact CB-CB 4.45Å; Q264-K267 PolarHBondContact O-N 3.49Å; R265-K267 VanDerWaalsContact C-N 3.33Å; R265-K267 PolarHBondContact O-N 3.15Å; K267-F269 VanDerWaalsContact C-N 3.28Å; K267-F269 PolarHBondContact O-N 3.44Å; K267-H270 PolarHBondContact O-N 3.26Å; K267-H270 VanDerWaalsContact O-N 3.14Å
268V96.2Very high94.9Very high0 Ų043.2 Ų43.20%021%0.207CC..Hα-helixtrans-62.5-33.9-171.4167.30000112.8I173 V177 M261 Q264 R265 H270I173-V268 HydrophobicContact CG2-CG1 4.1Å; I173-V268 HydrophobicContact CG2-CG2 4.02Å; V177-V268 HydrophobicContact CB-CG1 4.48Å; V177-V268 HydrophobicContact CG2-CG1 3.76Å; M261-V268 HydrophobicContact CG-CG1 4.32Å; Q264-V268 HydrophobicContact CB-CG2 4.26Å; Q264-V268 WeakPolarHBondContact O-CG2 3.44Å; Q264-V268 PolarHBondContact O-N 3.42Å; R265-V268 PolarHBondContact O-N 2.9Å; V268-H270 VanDerWaalsContact C-N 3.35Å
269F95.7Very high94.4Very high15 Ų1543.2 Ų43.27%0.06621%0.207CC..THydrogen-bonded Turntrans-96.619.4179.7-59-84.6000113.9I3 V177 L188 Y189 V192 R265 K267I3-F269 WeakPolarHBondContact CG1-O 3.44Å; I3-F269 PolarHBondContact N-O 3.05Å; V177-F269 HydrophobicContact CG1-CD1 3.98Å; V177-F269 HydrophobicContact CG1-CE1 3.9Å; L188-F269 HydrophobicContact CD2-CE1 4.39Å; L188-F269 HydrophobicContact CD2-CZ 4.3Å; L188-F269 HydrophobicContact CG-CE1 4.39Å; L188-F269 HydrophobicContact CG-CZ 4.06Å; Y189-F269 HydrophobicContact CD2-CB 4.14Å; Y189-F269 AromaticContact CD2-CD1 3.94Å; Y189-F269 HydrophobicContact CD2-CD1 3.94Å; Y189-F269 AromaticContact CD2-CD2 3.27Å; Y189-F269 HydrophobicContact CD2-CD2 3.27Å; Y189-F269 HydrophobicContact CD2-CE1 4.16Å; Y189-F269 AromaticContact CD2-CE2 3.56Å; Y189-F269 HydrophobicContact CD2-CE2 3.56Å; Y189-F269 AromaticContact CD2-CG 3.49Å; Y189-F269 HydrophobicContact CD2-CG 3.49Å; Y189-F269 VanDerWaalsContact CD2-CG 3.49Å; Y189-F269 AromaticContact CD2-CZ 4Å; Y189-F269 HydrophobicContact CD2-CZ 4Å; Y189-F269 HydrophobicContact CE2-CB 4.32Å; Y189-F269 AromaticContact CE2-CD2 3.82Å; Y189-F269 HydrophobicContact CE2-CD2 3.82Å; Y189-F269 HydrophobicContact CE2-CE2 4.41Å; Y189-F269 HydrophobicContact CE2-CG 4.09Å; Y189-F269 HydrophobicContact CG-CD1 4.05Å; Y189-F269 HydrophobicContact CG-CD2 4.19Å; Y189-F269 HydrophobicContact CG-CE1 4.22Å; Y189-F269 HydrophobicContact CG-CE2 4.38Å; Y189-F269 HydrophobicContact CG-CG 4.04Å; Y189-F269 HydrophobicContact CG-CZ 4.39Å; V192-F269 HydrophobicContact CB-CE2 4.12Å; V192-F269 HydrophobicContact CB-CZ 4.26Å; V192-F269 HydrophobicContact CG1-CE2 4Å; V192-F269 HydrophobicContact CG2-CZ 4.38Å; R265-F269 WeakPolarHBondContact O-CD2 3.4Å; K267-F269 VanDerWaalsContact C-N 3.28Å; K267-F269 PolarHBondContact O-N 3.44Å
270H95.7Very high93.7Very high73 Ų7348.7 Ų48.734%0.33823%0.228SC..BIsolated β-bridgetrans-118.5143.4173.7-75.374.9000110.7M1 A2 R174 D266 K267 V268M1-H270 VanDerWaalsContact C-CD2 3.47Å; M1-H270 WeakPolarHBondContact O-CA 2.84Å; A2-H270 VanDerWaalsContact CA-CD2 3.44Å; A2-H270 WeakPolarHBondContact CA-CD2 3.08Å; A2-H270 PolarHBondContact N-CD2 3.36Å; R174-H270 VanDerWaalsContact CZ-O 3.29Å; R174-H270 PolarHBondContact NE-O 3.23Å; R174-H270 PolarHBondContact NH2-O 2.66Å; D266-H270 PolarHBondContact O-CE1 2.83Å; D266-H270 PolarHBondContact O-ND1 3.28Å; K267-H270 PolarHBondContact O-N 3.26Å; K267-H270 VanDerWaalsContact O-N 3.14Å; V268-H270 VanDerWaalsContact C-N 3.35Å
271I93.9Very high93Very high6 Ų651.7 Ų51.73%0.03126%0.256CS..  trans-69.5143.5173.661.6163.6000111.6M1 I3 L6 R174 L178 V275 A276 I279M1-I271 HydrophobicContact CB-CD1 4.05Å; M1-I271 HydrophobicContact CB-CG1 3.87Å; M1-I271 HydrophobicContact CG-CD1 4.48Å; M1-I271 WeakPolarHBondContact O-CG1 3.32Å; M1-I271 PolarHBondContact O-N 2.71Å; M1-I271 HydrophobicContact SD-CD1 4.19Å; I3-I271 HydrophobicContact CG1-CG2 4.17Å; L6-I271 HydrophobicContact CD1-CG2 3.75Å; L6-I271 HydrophobicContact CD2-CD1 4.02Å; L6-I271 HydrophobicContact CD2-CG2 4.47Å; R174-I271 PolarHBondContact NH2-O 3.46Å; L178-I271 HydrophobicContact CD1-CG2 4.19Å; L178-I271 HydrophobicContact CD2-CG2 4.15Å; I271-V275 HydrophobicContact CB-CB 4.23Å; I271-V275 HydrophobicContact CB-CG1 3.94Å; I271-V275 HydrophobicContact CD1-CG1 4.11Å; I271-V275 HydrophobicContact CG2-CG1 4.12Å; I271-A276 HydrophobicContact CD1-CB 3.84Å; I271-I279 HydrophobicContact CD1-CD1 3.73Å
272S92.4Very high92.1Very high2 Ų257.4 Ų57.41%0.01428%0.281CS..  trans-71.1160.4175.6550000111.9D171 K175 D274 V275 A276D171-S272 WeakPolarHBondContact OD1-CB 3.4Å; D171-S272 PolarHBondContact OD1-OG 3.07Å; K175-S272 PolarHBondContact NZ-OG 3.44Å; S272-D274 VanDerWaalsContact C-N 3.33Å; S272-D274 WeakPolarHBondContact CB-OD1 3.5Å; S272-D274 PolarHBondContact O-N 3.47Å; S272-D274 PolarHBondContact OG-OD1 2.99Å; S272-V275 WeakPolarHBondContact O-CB 3.28Å; S272-V275 PolarHBondContact O-N 3.27Å; S272-V275 VanDerWaalsContact OG-CG2 3.28Å; S272-V275 WeakPolarHBondContact OG-CG2 3.37Å; S272-A276 PolarHBondContact O-N 3.44Å
273E91.9Very high91Very high152 Ų15264.1 Ų64.171%0.7132%0.317SS*.Hα-helixtrans-64.1-37.1-173.2-68.8176.7-165.400113A276 K277E273-A276 WeakPolarHBondContact O-CB 3.47Å; E273-A276 PolarHBondContact O-N 2.81Å; E273-K277 VanDerWaalsContact O-CG 3.3Å; E273-K277 WeakPolarHBondContact O-CG 3.3Å; E273-K277 PolarHBondContact O-N 3.25Å
274D93.3Very high89.8Confident36 Ų3660.9 Ų60.919%0.19330%0.304CS..Hα-helixtrans-60.8-44.1172.858.9-24.2000112.1Y17 K175 S272 A276 K277 C278Y17-D274 HydrophobicContact CE1-CB 4.36Å; Y17-D274 WeakPolarHBondContact CE1-OD2 3.31Å; Y17-D274 PolarHBondContact OH-OD2 3.41Å; K175-D274 VanDerWaalsContact CE-OD2 3.3Å; K175-D274 WeakPolarHBondContact CE-OD2 3.36Å; K175-D274 IonicContact NZ-OD1 3.59Å; K175-D274 PolarHBondContact NZ-OD1 3.48Å; K175-D274 IonicContact NZ-OD2 3.99Å; K175-D274 PolarHBondContact NZ-OD2 3.19Å; S272-D274 VanDerWaalsContact C-N 3.33Å; S272-D274 WeakPolarHBondContact CB-OD1 3.5Å; S272-D274 PolarHBondContact O-N 3.47Å; S272-D274 PolarHBondContact OG-OD1 2.99Å; D274-A276 VanDerWaalsContact C-N 3.33Å; D274-A276 PolarHBondContact O-N 2.8Å; D274-K277 PolarHBondContact O-N 2.67Å; D274-C278 PolarHBondContact O-N 2.97Å; D274-C278 PolarHBondContact O-SG 3.03Å; D274-C278 VanDerWaalsContact O-SG 3.4Å
275V92.7Very high88.1Confident0 Ų061.4 Ų61.40%031%0.309CS..Hα-helixtrans-62.8-42.9174.4173.80000110.4A14 Y17 I271 S272 C278 I279A14-V275 HydrophobicContact CB-CG1 3.59Å; Y17-V275 HydrophobicContact CD1-CG2 3.56Å; Y17-V275 HydrophobicContact CE1-CG2 4.05Å; Y17-V275 HydrophobicContact CG-CG2 4.38Å; I271-V275 HydrophobicContact CB-CB 4.23Å; I271-V275 HydrophobicContact CB-CG1 3.94Å; I271-V275 HydrophobicContact CD1-CG1 4.11Å; I271-V275 HydrophobicContact CG2-CG1 4.12Å; S272-V275 WeakPolarHBondContact O-CB 3.28Å; S272-V275 PolarHBondContact O-N 3.27Å; S272-V275 VanDerWaalsContact OG-CG2 3.28Å; S272-V275 WeakPolarHBondContact OG-CG2 3.37Å; V275-C278 PolarHBondContact O-N 3.19Å; V275-I279 HydrophobicContact CG1-CD1 4.15Å; V275-I279 PolarHBondContact O-N 2.79Å
276A91.6Very high86.5Confident18 Ų1866.6 Ų66.615%0.14934%0.335CS..Hα-helixtrans-60.2-48.5175.800000110.8I271 S272 E273 D274 C278 I279 Y280I271-A276 HydrophobicContact CD1-CB 3.84Å; S272-A276 PolarHBondContact O-N 3.44Å; E273-A276 WeakPolarHBondContact O-CB 3.47Å; E273-A276 PolarHBondContact O-N 2.81Å; D274-A276 VanDerWaalsContact C-N 3.33Å; D274-A276 PolarHBondContact O-N 2.8Å; A276-C278 VanDerWaalsContact C-N 3.3Å; A276-C278 PolarHBondContact O-N 3.31Å; A276-I279 WeakPolarHBondContact O-CA 3.42Å; A276-I279 WeakPolarHBondContact O-CB 3.39Å; A276-I279 PolarHBondContact O-N 3.32Å; A276-Y280 HydrophobicContact CB-CD2 4.39Å; A276-Y280 HydrophobicContact CB-CE2 4.21Å; A276-Y280 WeakPolarHBondContact O-CD2 3.47Å; A276-Y280 PolarHBondContact O-N 2.91Å
277K91.2Very high85Confident143 Ų14364.5 Ų64.562%0.62233%0.331SS*.Hα-helixtrans-55.5-42.8175.7-74.1171.6-176.8176.30112.1E273 D274 I279 Y280 A281E273-K277 VanDerWaalsContact O-CG 3.3Å; E273-K277 WeakPolarHBondContact O-CG 3.3Å; E273-K277 PolarHBondContact O-N 3.25Å; D274-K277 PolarHBondContact O-N 2.67Å; K277-I279 VanDerWaalsContact C-N 3.32Å; K277-I279 PolarHBondContact O-N 2.87Å; K277-Y280 PolarHBondContact O-N 3.05Å; K277-A281 WeakPolarHBondContact O-CB 3.49Å; K277-A281 PolarHBondContact O-N 3.21Å
278C89.8Confident83.7Confident39 Ų3961.8 Ų61.826%0.26432%0.321SS..Hα-helixtrans-64.4-34.2175.8-71.10000113.6V13 Y17 D274 V275 A276V13-C278 HydrophobicContact CG1-CB 4.32Å; Y17-C278 HydrophobicContact CD2-CB 4.32Å; Y17-C278 WeakPolarHBondContact CD2-SG 3.31Å; Y17-C278 WeakPolarHBondContact CE2-SG 3.47Å; D274-C278 PolarHBondContact O-N 2.97Å; D274-C278 PolarHBondContact O-SG 3.03Å; D274-C278 VanDerWaalsContact O-SG 3.4Å; V275-C278 PolarHBondContact O-N 3.19Å; A276-C278 VanDerWaalsContact C-N 3.3Å; A276-C278 PolarHBondContact O-N 3.31Å
279I87.8Confident82.5Confident0 Ų066 Ų660%035%0.349CS..Hα-helixtrans-67.7-49.2174-75.6163.8000110.5L6 Q10 V13 A14 I271 V275 A276 K277 A281 K282L6-I279 HydrophobicContact CD2-CD1 4.04Å; Q10-I279 HydrophobicContact CB-CD1 4.09Å; Q10-I279 HydrophobicContact CB-CG1 4.29Å; Q10-I279 HydrophobicContact CB-CG2 4.28Å; Q10-I279 HydrophobicContact CG-CG2 3.62Å; V13-I279 HydrophobicContact CB-CG1 4.43Å; V13-I279 HydrophobicContact CG1-CG1 4.23Å; A14-I279 HydrophobicContact CB-CD1 4.39Å; I271-I279 HydrophobicContact CD1-CD1 3.73Å; V275-I279 HydrophobicContact CG1-CD1 4.15Å; V275-I279 PolarHBondContact O-N 2.79Å; A276-I279 WeakPolarHBondContact O-CA 3.42Å; A276-I279 WeakPolarHBondContact O-CB 3.39Å; A276-I279 PolarHBondContact O-N 3.32Å; K277-I279 VanDerWaalsContact C-N 3.32Å; K277-I279 PolarHBondContact O-N 2.87Å; I279-A281 PolarHBondContact O-N 3.24Å; I279-K282 PolarHBondContact O-N 3.1Å
280Y84.2Confident81.7Confident118 Ų11867.6 Ų67.646%0.46335%0.354SS..Hα-helixtrans-59.5-45.5178.8-76.6-72.4000111.6A276 K277 K282 N283 N285A276-Y280 HydrophobicContact CB-CD2 4.39Å; A276-Y280 HydrophobicContact CB-CE2 4.21Å; A276-Y280 WeakPolarHBondContact O-CD2 3.47Å; A276-Y280 PolarHBondContact O-N 2.91Å; K277-Y280 PolarHBondContact O-N 3.05Å; Y280-K282 PolarHBondContact O-N 3.28Å; Y280-N283 PolarHBondContact O-N 2.94Å; Y280-N285 WeakPolarHBondContact CD1-ND2 3.23Å; Y280-N285 WeakPolarHBondContact CE1-ND2 3.23Å
281A82Confident80.7Confident85 Ų8566.6 Ų66.670%0.70235%0.352SS*.THydrogen-bonded Turntrans-60.7-20.6179.900000114.2K277 I279K277-A281 WeakPolarHBondContact O-CB 3.49Å; K277-A281 PolarHBondContact O-N 3.21Å; I279-A281 PolarHBondContact O-N 3.24Å
282K80.5Confident79.7Confident120 Ų12068.1 Ų68.152%0.52237%0.365SS..THydrogen-bonded Turntrans-95.25.6177.3-71.1-174.4172.3-1650113.7V13 I279 Y280 L284V13-K282 HydrophobicContact CG1-CD 4.11Å; V13-K282 HydrophobicContact CG2-CD 3.68Å; I279-K282 PolarHBondContact O-N 3.1Å; Y280-K282 PolarHBondContact O-N 3.28Å; K282-L284 HydrophobicContact CB-CD1 3.92Å; K282-L284 HydrophobicContact CB-CG 3.74Å; K282-L284 HydrophobicContact CD-CD1 4.33Å; K282-L284 PolarHBondContact O-N 2.91Å; K282-L284 VanDerWaalsContact O-N 3.13Å
283N76Confident78.6Confident140 Ų14068.8 Ų68.875%0.74937%0.369SS*.THydrogen-bonded Turntrans51.734-178.4-64.1-35.4000113.5Y280 N285Y280-N283 PolarHBondContact O-N 2.94Å; N283-N285 VanDerWaalsContact C-N 3.26Å; N283-N285 PolarHBondContact O-N 2.82Å
284L72.6Confident77.4Confident35 Ų3563.9 Ų63.918%0.18335%0.349CS..G310 helixtrans-84.45.5-175.3-67.1178.7000114.4P9 Q10 V13 K282 E286P9-L284 HydrophobicContact CB-CD1 4.15Å; P9-L284 HydrophobicContact CB-CD2 3.99Å; P9-L284 HydrophobicContact CB-CG 4.48Å; Q10-L284 HydrophobicContact CG-CB 4.03Å; V13-L284 HydrophobicContact CB-CD1 4.29Å; V13-L284 HydrophobicContact CG2-CD1 3.41Å; V13-L284 VanDerWaalsContact CG2-CD1 3.41Å; K282-L284 HydrophobicContact CB-CD1 3.92Å; K282-L284 HydrophobicContact CB-CG 3.74Å; K282-L284 HydrophobicContact CD-CD1 4.33Å; K282-L284 PolarHBondContact O-N 2.91Å; K282-L284 VanDerWaalsContact O-N 3.13Å; L284-E286 PolarHBondContact O-N 3.33Å
285N62.3Low75.9Confident67 Ų6769 Ų6936%0.35838%0.376SS..G310 helixtrans-67.2-26-177.8-67.3-17.1000112.1Q10 Y280 N283Q10-N285 PolarHBondContact NE2-OD1 3.2Å; Y280-N285 WeakPolarHBondContact CD1-ND2 3.23Å; Y280-N285 WeakPolarHBondContact CE1-ND2 3.23Å; N283-N285 VanDerWaalsContact C-N 3.26Å; N283-N285 PolarHBondContact O-N 2.82Å
286E61Low74.5Confident143 Ų14378.1 Ų78.167%0.66842%0.419SS*.G310 helixtrans-141.232.4-168.7-63.1-177177.700113.7L284 L288 P289L284-E286 PolarHBondContact O-N 3.33Å; E286-L288 PolarHBondContact O-N 3.35Å; E286-P289 HydrophobicContact CB-CB 4.48Å; E286-P289 WeakPolarHBondContact O-CD 3.41Å
287A58.1Low73.2Confident55 Ų5578.1 Ų78.146%0.45542%0.421SS..SBendtrans-52.2-26.2-175.800000114.4Y344A287-Y344 HydrophobicContact CB-CD2 4.09Å; A287-Y344 HydrophobicContact CB-CE2 4.34Å
288L68.9Low72.1Confident50 Ų5072.6 Ų72.626%0.26240%0.402SS..SBendtrans-14096.6164.5-83.6169.6000107.7E286 Y344 N446 F448E286-L288 PolarHBondContact O-N 3.35Å; L288-Y344 HydrophobicContact CB-CD2 4.41Å; L288-Y344 VanDerWaalsContact CD1-CB 3.45Å; L288-Y344 HydrophobicContact CD1-CD1 4.36Å; L288-Y344 HydrophobicContact CD1-CD2 3.83Å; L288-Y344 HydrophobicContact CD1-CG 3.62Å; L288-Y344 HydrophobicContact CG-CD2 4.2Å; L288-Y344 HydrophobicContact CG-CG 4.43Å; L288-N446 PolarHBondContact O-ND2 2.79Å; L288-N446 VanDerWaalsContact O-ND2 3.14Å; L288-F448 HydrophobicContact CB-CD1 3.9Å; L288-F448 HydrophobicContact CB-CE1 3.29Å; L288-F448 HydrophobicContact CB-CZ 4.07Å; L288-F448 HydrophobicContact CD1-CD1 3.76Å; L288-F448 HydrophobicContact CD1-CE1 3.62Å; L288-F448 HydrophobicContact CD1-CE2 4.49Å; L288-F448 HydrophobicContact CD1-CG 4.27Å; L288-F448 HydrophobicContact CD1-CZ 4Å; L288-F448 HydrophobicContact CG-CD1 4.44Å; L288-F448 HydrophobicContact CG-CE1 4.1Å
289P69.9Low71.4Confident90 Ų9078.6 Ų78.658%0.58442%0.424SS*.PPolyproline II helixtrans-70.2152.7-175.329.2-32.4000110.7E286E286-P289 HydrophobicContact CB-CB 4.48Å; E286-P289 WeakPolarHBondContact O-CD 3.41Å
290R79Confident71.1Confident47 Ų4780.5 Ų80.518%0.17743%0.432CS..PPolyproline II helixtrans-71152.4170.6-54.9171.9-152.4-102.4-2.6108.8D433 Q444 A445R290-D433 HydrophobicContact CB-CB 4.18Å; R290-Q444 PolarHBondContact NH2-O 3.48Å; R290-A445 PolarHBondContact NH1-O 2.93Å
291L75.4Confident71.2Confident53 Ų5379.5 Ų79.528%0.27743%0.434SS..EExtended strand (participates in β ladder)trans-80.1126.7177.7-67.2171.8000110.6F300 F430 V432 D433L291-F300 HydrophobicContact CB-CD1 3.62Å; L291-F300 HydrophobicContact CB-CE1 3.4Å; L291-F300 VanDerWaalsContact CB-CE1 3.4Å; L291-F300 HydrophobicContact CB-CE2 4.44Å; L291-F300 HydrophobicContact CB-CG 4.25Å; L291-F300 HydrophobicContact CB-CZ 3.86Å; L291-F300 HydrophobicContact CD1-CD1 4.47Å; L291-F300 HydrophobicContact CD1-CD2 4.03Å; L291-F300 HydrophobicContact CD1-CE1 4.29Å; L291-F300 HydrophobicContact CD1-CE2 3.8Å; L291-F300 HydrophobicContact CD1-CG 4.36Å; L291-F300 HydrophobicContact CD1-CZ 3.95Å; L291-F300 HydrophobicContact CD2-CD1 4.48Å; L291-F300 HydrophobicContact CD2-CG 4.39Å; L291-F300 HydrophobicContact CG-CD1 4.42Å; L291-F300 HydrophobicContact CG-CE1 4.4Å; L291-F430 HydrophobicContact CD1-CD2 3.9Å; L291-F430 HydrophobicContact CD1-CE2 3.6Å; L291-F430 HydrophobicContact CD1-CZ 4.44Å; L291-V432 HydrophobicContact CB-CG1 4.47Å; L291-V432 CarbonylContact O-C 3.55Å; L291-V432 WeakPolarHBondContact O-CA 3.17Å; L291-V432 WeakPolarHBondContact O-CB 3.27Å; L291-D433 PolarHBondContact O-N 2.89Å
292A73.9Confident71.3Confident37 Ų3776.5 Ų76.531%0.30641%0.407SS..EExtended strand (participates in β ladder)trans-74.6136-174.300000113.2K299 F300A292-K299 HydrophobicContact CB-CB 4.48Å; A292-K299 HydrophobicContact CB-CD 4.16Å; A292-K299 PolarHBondContact O-N 2.72Å; A292-F300 WeakPolarHBondContact O-CD1 3.39Å
293T68.7Low71.6Confident16 Ų1673.4 Ų73.410%0.09840%0.403CS..EExtended strand (participates in β ladder)trans-127152.7173.763.30000110.6A298 F300 I392 V432 D433 H434T293-A298 HydrophobicContact CG2-CB 4.16Å; T293-F300 HydrophobicContact CG2-CE1 3.91Å; T293-I392 HydrophobicContact CG2-CD1 4.29Å; T293-V432 HydrophobicContact CG2-CB 3.81Å; T293-V432 HydrophobicContact CG2-CG1 3.88Å; T293-V432 HydrophobicContact CG2-CG2 4.32Å; T293-D433 PolarHBondContact N-O 3.33Å; T293-D433 PolarHBondContact OG1-O 3.15Å; T293-H434 WeakPolarHBondContact OG1-CB 3.26Å; T293-H434 PolarHBondContact OG1-ND1 3.39Å
294T65.9Low72.2Confident49 Ų4973.3 Ų73.330%0.30140%0.396SS..EExtended strand (participates in β ladder)trans-124.3170.8177.369.30000110.6Q296 G297 K299 K384T294-Q296 PolarHBondContact O-N 3.13Å; T294-Q296 VanDerWaalsContact O-N 3.16Å; T294-Q296 PolarHBondContact OG1-N 3.2Å; T294-G297 WeakPolarHBondContact CA-O 3.28Å; T294-G297 PolarHBondContact N-O 3.47Å; T294-G297 PolarHBondContact O-N 3.47Å; T294-G297 PolarHBondContact OG1-N 2.65Å; T294-G297 PolarHBondContact OG1-O 3.01Å; T294-K299 HydrophobicContact CG2-CD 4.25Å; T294-K299 VanDerWaalsContact CG2-CE 3.43Å; T294-K299 HydrophobicContact CG2-CG 3.89Å; T294-K384 PolarHBondContact O-NZ 3.27Å
295D61.9Low72.9Confident143 Ų14374.3 Ų74.377%0.76540%0.4SS*.THydrogen-bonded Turntrans-60.2-23.4172.9-58.2-23000112.5K384D295-K384 VanDerWaalsContact C-NZ 3.3Å; D295-K384 PolarHBondContact O-NZ 2.96Å
296Q64.8Low74.2Confident193 Ų19371.9 Ų71.990%0.90239%0.386SS*.THydrogen-bonded Turntrans-86.1-16.7174.8-63.9-176.9-100113.4T294T294-Q296 PolarHBondContact O-N 3.13Å; T294-Q296 VanDerWaalsContact O-N 3.16Å; T294-Q296 PolarHBondContact OG1-N 3.2Å
297G63.4Low75.6Confident17 Ų1770.1 Ų70.118%0.17538%0.381CS..EExtended strand (participates in β ladder)trans143.3-172.1-17800000112.8T294T294-G297 WeakPolarHBondContact CA-O 3.28Å; T294-G297 PolarHBondContact N-O 3.47Å; T294-G297 PolarHBondContact O-N 3.47Å; T294-G297 PolarHBondContact OG1-N 2.65Å; T294-G297 PolarHBondContact OG1-O 3.01Å
298A67.6Low77.2Confident28 Ų2872 Ų7223%0.23139%0.387CS..EExtended strand (participates in β ladder)trans-71.6144.1173.900000111.8T293 F300 I302T293-A298 HydrophobicContact CG2-CB 4.16Å; A298-F300 HydrophobicContact CB-CD1 3.66Å; A298-F300 HydrophobicContact CB-CE1 3.51Å; A298-F300 HydrophobicContact CB-CE2 4.43Å; A298-F300 HydrophobicContact CB-CG 4.19Å; A298-F300 HydrophobicContact CB-CZ 3.93Å; A298-F300 VanDerWaalsContact CB-O 3.24Å; A298-F300 WeakPolarHBondContact CB-O 3.42Å; A298-F300 PolarHBondContact O-N 3.32Å; A298-I302 HydrophobicContact CB-CD1 3.47Å; A298-I302 VanDerWaalsContact CB-CD1 3.47Å; A298-I302 HydrophobicContact CB-CG1 3.37Å
299K76.1Confident78.2Confident165 Ų16570 Ų7072%0.71738%0.376SS*.SBendtrans-76.4-6.1168.2-67.4-171.3177.6178.50112.8A292 T294A292-K299 HydrophobicContact CB-CB 4.48Å; A292-K299 HydrophobicContact CB-CD 4.16Å; A292-K299 PolarHBondContact O-N 2.72Å; T294-K299 HydrophobicContact CG2-CD 4.25Å; T294-K299 VanDerWaalsContact CG2-CE 3.43Å; T294-K299 HydrophobicContact CG2-CG 3.89Å
300F80.8Confident79.3Confident40 Ų4066 Ų6618%0.17535%0.35CS..SBendtrans-117.2158177.166.5-82.5000109.5L291 A292 T293 A298 I302 H305 L411 F430 V432L291-F300 HydrophobicContact CB-CD1 3.62Å; L291-F300 HydrophobicContact CB-CE1 3.4Å; L291-F300 VanDerWaalsContact CB-CE1 3.4Å; L291-F300 HydrophobicContact CB-CE2 4.44Å; L291-F300 HydrophobicContact CB-CG 4.25Å; L291-F300 HydrophobicContact CB-CZ 3.86Å; L291-F300 HydrophobicContact CD1-CD1 4.47Å; L291-F300 HydrophobicContact CD1-CD2 4.03Å; L291-F300 HydrophobicContact CD1-CE1 4.29Å; L291-F300 HydrophobicContact CD1-CE2 3.8Å; L291-F300 HydrophobicContact CD1-CG 4.36Å; L291-F300 HydrophobicContact CD1-CZ 3.95Å; L291-F300 HydrophobicContact CD2-CD1 4.48Å; L291-F300 HydrophobicContact CD2-CG 4.39Å; L291-F300 HydrophobicContact CG-CD1 4.42Å; L291-F300 HydrophobicContact CG-CE1 4.4Å; A292-F300 WeakPolarHBondContact O-CD1 3.39Å; T293-F300 HydrophobicContact CG2-CE1 3.91Å; A298-F300 HydrophobicContact CB-CD1 3.66Å; A298-F300 HydrophobicContact CB-CE1 3.51Å; A298-F300 HydrophobicContact CB-CE2 4.43Å; A298-F300 HydrophobicContact CB-CG 4.19Å; A298-F300 HydrophobicContact CB-CZ 3.93Å; A298-F300 VanDerWaalsContact CB-O 3.24Å; A298-F300 WeakPolarHBondContact CB-O 3.42Å; A298-F300 PolarHBondContact O-N 3.32Å; F300-I302 HydrophobicContact CD2-CG1 4.45Å; F300-I302 HydrophobicContact CE2-CB 4.42Å; F300-I302 HydrophobicContact CE2-CG1 3.88Å; F300-I302 HydrophobicContact CZ-CG1 4.05Å; F300-I302 PolarHBondContact O-N 3.16Å; F300-H305 HydrophobicContact CD2-CB 4.2Å; F300-H305 HydrophobicContact CE2-CB 4.18Å; F300-L411 HydrophobicContact CZ-CD1 4.26Å; F300-F430 HydrophobicContact CE2-CE2 4.01Å; F300-F430 HydrophobicContact CE2-CZ 4.01Å; F300-F430 AromaticContact CZ-CE2 3.73Å; F300-F430 HydrophobicContact CZ-CE2 3.73Å; F300-F430 HydrophobicContact CZ-CZ 4.06Å; F300-V432 HydrophobicContact CE1-CG1 4.33Å; F300-V432 HydrophobicContact CZ-CG1 4.24Å
301D85.7Confident80Confident96 Ų9665.6 Ų65.651%0.51336%0.361SS..  trans-72.9101.6175.6-174.4-17.8000110.3A303 K304 H305D301-A303 VanDerWaalsContact C-N 3.31Å; D301-A303 PolarHBondContact O-N 2.96Å; D301-A303 WeakPolarHBondContact OD1-CB 3.43Å; D301-A303 PolarHBondContact OD1-N 3.18Å; D301-K304 HydrophobicContact CB-CB 3.82Å; D301-K304 PolarHBondContact OD1-N 3.19Å; D301-K304 WeakPolarHBondContact OD2-CB 3.4Å; D301-H305 WeakPolarHBondContact O-CB 3.44Å; D301-H305 PolarHBondContact O-N 3.23Å
302I85.8Confident80.7Confident23 Ų2365.5 Ų65.512%0.11837%0.365CS..Hα-helixtrans-61.3-41.6179.1-62.4166.5000110.7A298 F300 H305 Y306 I386 L411 I413A298-I302 HydrophobicContact CB-CD1 3.47Å; A298-I302 VanDerWaalsContact CB-CD1 3.47Å; A298-I302 HydrophobicContact CB-CG1 3.37Å; F300-I302 HydrophobicContact CD2-CG1 4.45Å; F300-I302 HydrophobicContact CE2-CB 4.42Å; F300-I302 HydrophobicContact CE2-CG1 3.88Å; F300-I302 HydrophobicContact CZ-CG1 4.05Å; F300-I302 PolarHBondContact O-N 3.16Å; I302-H305 PolarHBondContact O-N 3.13Å; I302-Y306 WeakPolarHBondContact O-CB 3.23Å; I302-Y306 PolarHBondContact O-N 3.38Å; I302-I386 HydrophobicContact CD1-CD1 3.87Å; I302-I386 HydrophobicContact CD1-CG2 4.03Å; I302-L411 HydrophobicContact CD1-CD1 4.04Å; I302-L411 HydrophobicContact CG1-CD1 4.17Å; I302-L411 HydrophobicContact CG2-CD1 4.37Å; I302-L411 HydrophobicContact CG2-CD2 4.27Å; I302-I413 HydrophobicContact CG2-CD1 3.58Å
303A86.2Confident81.7Confident54 Ų5463.8 Ų63.845%0.44635%0.35SS..Hα-helixtrans-65.7-49.4-17700000109.7D301 H305 Y306 D307D301-A303 VanDerWaalsContact C-N 3.31Å; D301-A303 PolarHBondContact O-N 2.96Å; D301-A303 WeakPolarHBondContact OD1-CB 3.43Å; D301-A303 PolarHBondContact OD1-N 3.18Å; A303-H305 VanDerWaalsContact C-N 3.33Å; A303-H305 PolarHBondContact O-N 2.67Å; A303-Y306 WeakPolarHBondContact O-CB 3.44Å; A303-Y306 PolarHBondContact O-N 2.83Å; A303-Y306 VanDerWaalsContact O-N 3.16Å; A303-D307 PolarHBondContact O-N 3.49Å
304K88.3Confident83Confident138 Ų13865.1 Ų65.160%0.636%0.356SS*.Hα-helixtrans-59.2-41.8175.2-175.6177.6-177.4175.90112.7D301 D307 V308D301-K304 HydrophobicContact CB-CB 3.82Å; D301-K304 PolarHBondContact OD1-N 3.19Å; D301-K304 WeakPolarHBondContact OD2-CB 3.4Å; K304-D307 PolarHBondContact O-N 2.84Å; K304-V308 WeakPolarHBondContact O-CG2 3.34Å; K304-V308 PolarHBondContact O-N 3.21Å
305H87.6Confident84.3Confident56 Ų5669.4 Ų69.426%0.25937%0.371SS..Hα-helixtrans-66.1-39.7178-170.981.4000112.1F300 D301 I302 A303 V308 C309 F430F300-H305 HydrophobicContact CD2-CB 4.2Å; F300-H305 HydrophobicContact CE2-CB 4.18Å; D301-H305 WeakPolarHBondContact O-CB 3.44Å; D301-H305 PolarHBondContact O-N 3.23Å; I302-H305 PolarHBondContact O-N 3.13Å; A303-H305 VanDerWaalsContact C-N 3.33Å; A303-H305 PolarHBondContact O-N 2.67Å; H305-V308 PolarHBondContact O-N 3.38Å; H305-C309 PolarHBondContact O-N 2.77Å; H305-C309 PolarHBondContact O-SG 3.43Å; H305-C309 VanDerWaalsContact O-SG 3.33Å; H305-F430 AromaticContact CD2-CD1 3.9Å; H305-F430 AromaticContact CD2-CE1 3.39Å; H305-F430 WeakPolarHBondContact CD2-CE1 3.19Å; H305-F430 AromaticContact CD2-CE2 3.96Å; H305-F430 AromaticContact CD2-CZ 3.41Å; H305-F430 VanDerWaalsContact CD2-CZ 3.41Å; H305-F430 WeakPolarHBondContact CD2-CZ 3.48Å; H305-F430 AromaticContact NE2-CD1 3.84Å; H305-F430 AromaticContact NE2-CE1 3.83Å; H305-F430 AromaticContact NE2-CZ 3.97Å
306Y89.2Confident85.8Confident17 Ų1763.3 Ų63.37%0.06734%0.338CS..Hα-helixtrans-60.4-48.8172.5176.7-102.8000111.4I302 A303 V308 C309 C310 I413 E415 V426 V428I302-Y306 WeakPolarHBondContact O-CB 3.23Å; I302-Y306 PolarHBondContact O-N 3.38Å; A303-Y306 WeakPolarHBondContact O-CB 3.44Å; A303-Y306 PolarHBondContact O-N 2.83Å; A303-Y306 VanDerWaalsContact O-N 3.16Å; Y306-V308 VanDerWaalsContact C-N 3.27Å; Y306-V308 PolarHBondContact O-N 2.74Å; Y306-C309 CarbonylContact O-C 3.48Å; Y306-C309 PolarHBondContact O-N 3.43Å; Y306-C310 HydrophobicContact CD1-CB 4.4Å; Y306-C310 HydrophobicContact CE1-CB 3.97Å; Y306-C310 HydrophobicContact CE2-CB 4.21Å; Y306-C310 VanDerWaalsContact O-CB 3.3Å; Y306-C310 WeakPolarHBondContact O-CB 3.16Å; Y306-C310 PolarHBondContact O-N 3.41Å; Y306-I413 HydrophobicContact CD2-CB 3.66Å; Y306-I413 HydrophobicContact CD2-CD1 3.78Å; Y306-I413 HydrophobicContact CD2-CG1 4.31Å; Y306-I413 HydrophobicContact CD2-CG2 3.35Å; Y306-I413 HydrophobicContact CE2-CB 3.96Å; Y306-I413 HydrophobicContact CE2-CG2 3.46Å; Y306-I413 VanDerWaalsContact CE2-CG2 3.46Å; Y306-I413 HydrophobicContact CG-CD1 4.01Å; Y306-I413 HydrophobicContact CG-CG2 3.95Å; Y306-E415 HydrophobicContact CE1-CG 4.29Å; Y306-E415 WeakPolarHBondContact OH-CG 3.4Å; Y306-V426 WeakPolarHBondContact OH-CG1 3.44Å; Y306-V428 HydrophobicContact CD2-CB 4.37Å; Y306-V428 HydrophobicContact CD2-CG2 4.33Å; Y306-V428 HydrophobicContact CE2-CB 4.38Å; Y306-V428 HydrophobicContact CE2-CG2 4.03Å
307D91Very high87.3Confident105 Ų10555.9 Ų55.956%0.56130%0.303SS*.Hα-helixtrans-59.2-39.7-179.4-66.1-21000111.5A303 K304 G311A303-D307 PolarHBondContact O-N 3.49Å; K304-D307 PolarHBondContact O-N 2.84Å; D307-G311 WeakPolarHBondContact O-CA 3.33Å; D307-G311 PolarHBondContact O-N 2.91Å
308V90.6Very high88.8Confident96 Ų9658.5 Ų58.558%0.58232%0.323SS*.Hα-helixtrans-62.9-47.1173.3171.20000111.3K304 H305 Y306 S312K304-V308 WeakPolarHBondContact O-CG2 3.34Å; K304-V308 PolarHBondContact O-N 3.21Å; H305-V308 PolarHBondContact O-N 3.38Å; Y306-V308 VanDerWaalsContact C-N 3.27Å; Y306-V308 PolarHBondContact O-N 2.74Å; V308-S312 VanDerWaalsContact O-CB 3.28Å; V308-S312 WeakPolarHBondContact O-CB 3.15Å; V308-S312 PolarHBondContact O-N 3.21Å
309C91.5Very high90Very high6 Ų661 Ų614%0.04133%0.333CS..Hα-helixtrans-65.9-46.2-179.9-71.70000112.3H305 Y306 L313 V428 R451H305-C309 PolarHBondContact O-N 2.77Å; H305-C309 PolarHBondContact O-SG 3.43Å; H305-C309 VanDerWaalsContact O-SG 3.33Å; Y306-C309 CarbonylContact O-C 3.48Å; Y306-C309 PolarHBondContact O-N 3.43Å; C309-L313 WeakPolarHBondContact O-CB 3.49Å; C309-L313 PolarHBondContact O-N 2.94Å; C309-V428 HydrophobicContact CB-CG1 3.77Å; C309-V428 HydrophobicContact CB-CG2 4.41Å; C309-R451 PolarHBondContact SG-NH2 2.79Å
310C92.2Very high90.9Very high7 Ų761.8 Ų61.85%0.04734%0.336CS..Hα-helixtrans-69.7-45.6-178.7-167.10000110.8Y306 S312 L313 I314Y306-C310 HydrophobicContact CD1-CB 4.4Å; Y306-C310 HydrophobicContact CE1-CB 3.97Å; Y306-C310 HydrophobicContact CE2-CB 4.21Å; Y306-C310 VanDerWaalsContact O-CB 3.3Å; Y306-C310 WeakPolarHBondContact O-CB 3.16Å; Y306-C310 PolarHBondContact O-N 3.41Å; C310-S312 VanDerWaalsContact C-N 3.33Å; C310-S312 PolarHBondContact O-N 3.03Å; C310-L313 WeakPolarHBondContact O-CB 3.02Å; C310-L313 PolarHBondContact O-N 3.16Å; C310-I314 VanDerWaalsContact O-CG1 3.31Å; C310-I314 WeakPolarHBondContact O-CG1 3.48Å; C310-I314 PolarHBondContact O-N 3.11Å
311G92.7Very high91.5Very high39 Ų3961.5 Ų61.540%0.40233%0.334SS..Hα-helixtrans-60.4-41.3175.400000112.6D307 L313 K315D307-G311 WeakPolarHBondContact O-CA 3.33Å; D307-G311 PolarHBondContact O-N 2.91Å; G311-L313 VanDerWaalsContact C-N 3.32Å; G311-L313 PolarHBondContact O-N 3.21Å; G311-K315 WeakPolarHBondContact O-CB 3.45Å; G311-K315 PolarHBondContact O-N 2.78Å
312S91.9Very high91.8Very high51 Ų5167 Ų6736%0.35735%0.347SS..Hα-helixtrans-61.5-40.1172.2179.80000112.2V308 C310 E316V308-S312 VanDerWaalsContact O-CB 3.28Å; V308-S312 WeakPolarHBondContact O-CB 3.15Å; V308-S312 PolarHBondContact O-N 3.21Å; C310-S312 VanDerWaalsContact C-N 3.33Å; C310-S312 PolarHBondContact O-N 3.03Å; S312-E316 WeakPolarHBondContact O-CG 3.41Å; S312-E316 PolarHBondContact O-N 3.35Å
313L93.9Very high92.1Very high0 Ų068.6 Ų68.60%037%0.369CS..Hα-helixtrans-71.4-43.1-178.4-174.259.6000112C309 C310 G311 K315 E316 H317 W321 F421 V426 R451 V453 I467C309-L313 WeakPolarHBondContact O-CB 3.49Å; C309-L313 PolarHBondContact O-N 2.94Å; C310-L313 WeakPolarHBondContact O-CB 3.02Å; C310-L313 PolarHBondContact O-N 3.16Å; G311-L313 VanDerWaalsContact C-N 3.32Å; G311-L313 PolarHBondContact O-N 3.21Å; L313-K315 VanDerWaalsContact C-N 3.29Å; L313-K315 PolarHBondContact O-N 3.17Å; L313-E316 PolarHBondContact O-N 3Å; L313-H317 WeakPolarHBondContact O-CB 3.5Å; L313-H317 PolarHBondContact O-N 2.88Å; L313-W321 HydrophobicContact CD1-CH2 4.2Å; L313-W321 HydrophobicContact CD1-CZ3 4.3Å; L313-F421 HydrophobicContact CG-CZ 4.31Å; L313-V426 HydrophobicContact CD2-CG2 3.58Å; L313-R451 HydrophobicContact CD2-CB 4.16Å; L313-V453 HydrophobicContact CD1-CG2 3.77Å; L313-V453 HydrophobicContact CD2-CG2 3.52Å; L313-V453 HydrophobicContact CG-CG2 3.65Å; L313-I467 HydrophobicContact CD1-CD1 3.54Å
314I95.3Very high92.6Very high44 Ų4467.1 Ų67.123%0.22635%0.353CS..Hα-helixtrans-57.6-44.8173.3-70.4164.3000109.9C310 H317 A318 E420 F421C310-I314 VanDerWaalsContact O-CG1 3.31Å; C310-I314 WeakPolarHBondContact O-CG1 3.48Å; C310-I314 PolarHBondContact O-N 3.11Å; I314-H317 PolarHBondContact O-N 2.72Å; I314-A318 VanDerWaalsContact O-CB 3.32Å; I314-A318 WeakPolarHBondContact O-CB 3.43Å; I314-A318 PolarHBondContact O-N 2.82Å; I314-E420 HydrophobicContact CD1-CB 4.32Å; I314-E420 HydrophobicContact CD1-CG 4.03Å; I314-E420 HydrophobicContact CG1-CB 4.11Å; I314-E420 HydrophobicContact CG1-CG 4.32Å; I314-E420 HydrophobicContact CG2-CB 4.09Å; I314-E420 HydrophobicContact CG2-CG 4.09Å; I314-F421 HydrophobicContact CB-CZ 4.48Å; I314-F421 HydrophobicContact CG1-CE1 4.42Å; I314-F421 HydrophobicContact CG1-CE2 4Å; I314-F421 HydrophobicContact CG1-CZ 3.63Å
315K94.5Very high93Very high139 Ų13964 Ų6460%0.60435%0.348SS*.Hα-helixtrans-61.3-49.3176.4-177.9177.8179.21770112.2G311 L313 H317 A318 D319G311-K315 WeakPolarHBondContact O-CB 3.45Å; G311-K315 PolarHBondContact O-N 2.78Å; L313-K315 VanDerWaalsContact C-N 3.29Å; L313-K315 PolarHBondContact O-N 3.17Å; K315-H317 VanDerWaalsContact C-N 3.26Å; K315-H317 PolarHBondContact O-N 3.39Å; K315-A318 PolarHBondContact O-N 2.85Å; K315-D319 WeakPolarHBondContact O-CB 3.38Å; K315-D319 PolarHBondContact O-N 3.26Å
316E93.8Very high93.4Very high15 Ų1565.7 Ų65.77%0.0736%0.362CS..Hα-helixtrans-60.8-37.9179-73.4-167.8152.500112.4S312 L313 W321 W324 K338S312-E316 WeakPolarHBondContact O-CG 3.41Å; S312-E316 PolarHBondContact O-N 3.35Å; L313-E316 PolarHBondContact O-N 3Å; E316-W321 HydrophobicContact CB-CE3 3.83Å; E316-W321 HydrophobicContact CB-CZ3 3.71Å; E316-W321 WeakPolarHBondContact O-CA 3.15Å; E316-W321 PolarHBondContact O-N 2.87Å; E316-W324 WeakPolarHBondContact OE2-CZ2 3.42Å; E316-K338 IonicContact OE1-NZ 2.93Å; E316-K338 PolarHBondContact OE1-NZ 2.95Å
317H94.4Very high93.6Very high38 Ų3868.7 Ų68.718%0.17638%0.377CS..Hα-helixtrans-65.9-49.4174.8177.4-104.8000112.3L313 I314 K315 D319 K320 W321 F421 E455L313-H317 WeakPolarHBondContact O-CB 3.5Å; L313-H317 PolarHBondContact O-N 2.88Å; I314-H317 PolarHBondContact O-N 2.72Å; K315-H317 VanDerWaalsContact C-N 3.26Å; K315-H317 PolarHBondContact O-N 3.39Å; H317-D319 VanDerWaalsContact C-N 3.27Å; H317-D319 PolarHBondContact O-N 3.3Å; H317-K320 WeakPolarHBondContact O-CA 3.35Å; H317-K320 PolarHBondContact O-N 3.07Å; H317-W321 HydrophobicContact CB-CH2 4.08Å; H317-W321 HydrophobicContact CB-CZ2 4.16Å; H317-W321 AromaticContact CD2-CZ2 3.79Å; H317-F421 HydrophobicContact CB-CD1 4.41Å; H317-F421 HydrophobicContact CB-CE1 3.72Å; H317-F421 AromaticContact CE1-CD1 3.99Å; H317-F421 AromaticContact CG-CD1 3.83Å; H317-F421 AromaticContact CG-CE1 3.64Å; H317-F421 AromaticContact ND1-CD1 3.6Å; H317-F421 AromaticContact ND1-CE1 3.74Å; H317-E455 IonicContact CD2-OE1 3.94Å; H317-E455 IonicContact CD2-OE2 3.91Å; H317-E455 IonicContact CE1-OE1 3.41Å; H317-E455 PolarHBondContact CE1-OE1 3.25Å; H317-E455 IonicContact NE2-OE1 2.93Å; H317-E455 PolarHBondContact NE2-OE1 2.98Å; H317-E455 IonicContact NE2-OE2 3.57Å
318A94.7Very high93.7Very high71 Ų7164.9 Ų64.959%0.58736%0.362SS*.Hα-helixtrans-60.4-36.4178.500000112.3I314 K315 K320I314-A318 VanDerWaalsContact O-CB 3.32Å; I314-A318 WeakPolarHBondContact O-CB 3.43Å; I314-A318 PolarHBondContact O-N 2.82Å; K315-A318 PolarHBondContact O-N 2.85Å; A318-K320 PolarHBondContact O-N 2.59Å; A318-K320 VanDerWaalsContact O-N 3.13Å
319D94.7Very high93.9Very high82 Ų8263 Ų6344%0.43935%0.354SS..THydrogen-bonded Turntrans-74.46.7174.7-71.8-22.1000113.1K315 H317 W321 R322K315-D319 WeakPolarHBondContact O-CB 3.38Å; K315-D319 PolarHBondContact O-N 3.26Å; H317-D319 VanDerWaalsContact C-N 3.27Å; H317-D319 PolarHBondContact O-N 3.3Å; D319-W321 PolarHBondContact O-N 3Å; D319-R322 HydrophobicContact CB-CB 4.34Å; D319-R322 WeakPolarHBondContact O-CB 3.37Å; D319-R322 PolarHBondContact O-N 3.44Å; D319-R322 VanDerWaalsContact O-N 3.07Å
320K93.4Very high93.9Very high181 Ų18164.7 Ų64.779%0.78736%0.36SS*.THydrogen-bonded Turntrans51.638.4-175.7-59.2-178.1-179.9179.60112H317 A318 R322H317-K320 WeakPolarHBondContact O-CA 3.35Å; H317-K320 PolarHBondContact O-N 3.07Å; A318-K320 PolarHBondContact O-N 2.59Å; A318-K320 VanDerWaalsContact O-N 3.13Å; K320-R322 PolarHBondContact O-N 3.42Å
321W93.5Very high93.8Very high34 Ų3467.8 Ų67.813%0.12937%0.371CS..THydrogen-bonded Turntrans59.333.1180-41.1104.8000114L313 E316 H317 D319 G323 W324 T465 I467L313-W321 HydrophobicContact CD1-CH2 4.2Å; L313-W321 HydrophobicContact CD1-CZ3 4.3Å; E316-W321 HydrophobicContact CB-CE3 3.83Å; E316-W321 HydrophobicContact CB-CZ3 3.71Å; E316-W321 WeakPolarHBondContact O-CA 3.15Å; E316-W321 PolarHBondContact O-N 2.87Å; H317-W321 HydrophobicContact CB-CH2 4.08Å; H317-W321 HydrophobicContact CB-CZ2 4.16Å; H317-W321 AromaticContact CD2-CZ2 3.79Å; D319-W321 PolarHBondContact O-N 3Å; W321-G323 PolarHBondContact O-N 3.09Å; W321-W324 HydrophobicContact CB-CG 4.29Å; W321-W324 WeakPolarHBondContact O-CB 3.34Å; W321-W324 PolarHBondContact O-N 3.41Å; W321-T465 HydrophobicContact CH2-CG2 4.23Å; W321-T465 HydrophobicContact CZ2-CG2 4.02Å; W321-I467 HydrophobicContact CE3-CD1 4.46Å; W321-I467 HydrophobicContact CH2-CD1 4.12Å; W321-I467 HydrophobicContact CZ3-CD1 3.6Å
322R92.6Very high93.8Very high210 Ų21068.3 Ų68.379%0.79238%0.376SS*.THydrogen-bonded Turntrans-54.4134.4170.9-172.9-178.5-65-1191.6110.6D319 K320D319-R322 HydrophobicContact CB-CB 4.34Å; D319-R322 WeakPolarHBondContact O-CB 3.37Å; D319-R322 PolarHBondContact O-N 3.44Å; D319-R322 VanDerWaalsContact O-N 3.07Å; K320-R322 PolarHBondContact O-N 3.42Å
323G92.9Very high94Very high57 Ų5765.9 Ų65.959%0.58836%0.359SS*.THydrogen-bonded Turntrans88.41.5-179.700000115.2W321W321-G323 PolarHBondContact O-N 3.09Å
324W96.6Very high94.2Very high24 Ų2468.8 Ų68.89%0.09137%0.373CS..  trans-87.8137.4165.9-67.779.8000110.1E316 W321 T337 K338 M348 R350 I467E316-W324 WeakPolarHBondContact OE2-CZ2 3.42Å; W321-W324 HydrophobicContact CB-CG 4.29Å; W321-W324 WeakPolarHBondContact O-CB 3.34Å; W321-W324 PolarHBondContact O-N 3.41Å; W324-T337 WeakPolarHBondContact CA-O 3.42Å; W324-K338 HydrophobicContact CD2-CB 3.61Å; W324-K338 HydrophobicContact CD2-CD 4.09Å; W324-K338 HydrophobicContact CD2-CG 4.49Å; W324-K338 HydrophobicContact CE3-CB 3.53Å; W324-K338 HydrophobicContact CG-CB 4.22Å; W324-K338 HydrophobicContact CG-CD 4.33Å; W324-K338 HydrophobicContact CH2-CB 3.98Å; W324-K338 HydrophobicContact CZ2-CB 4.06Å; W324-K338 HydrophobicContact CZ2-CD 3.98Å; W324-K338 HydrophobicContact CZ3-CB 3.71Å; W324-M348 HydrophobicContact CH2-CB 3.62Å; W324-M348 HydrophobicContact CH2-CE 4.15Å; W324-M348 HydrophobicContact CZ2-CE 4.08Å; W324-M348 HydrophobicContact CZ3-CB 4.01Å; W324-R350 HydrophobicContact CD2-CB 4.24Å; W324-R350 HydrophobicContact CE3-CB 3.6Å; W324-R350 HydrophobicContact CH2-CB 3.98Å; W324-R350 HydrophobicContact CZ3-CB 3.47Å; W324-R350 VanDerWaalsContact CZ3-CB 3.47Å; W324-I467 HydrophobicContact CH2-CD1 4.47Å; W324-I467 HydrophobicContact CH2-CG1 4.4Å; W324-I467 HydrophobicContact CH2-CG2 3.79Å; W324-I467 HydrophobicContact CZ2-CD1 4.12Å; W324-I467 HydrophobicContact CZ2-CG2 4.3Å
325S97Very high94.3Very high72 Ų7266.7 Ų66.750%0.50336%0.362SS..EExtended strand (participates in β ladder)trans-104.2120.5178.1-63.30000110E327 S336 T337S325-E327 PolarHBondContact O-N 2.98Å; S325-S336 CarbonylContact O-C 3.58Å; S325-S336 WeakPolarHBondContact O-CA 3.41Å; S325-S336 WeakPolarHBondContact O-CB 3.4Å; S325-T337 PolarHBondContact N-O 3.43Å; S325-T337 PolarHBondContact O-N 3.18Å
326T96Very high94.4Very high91 Ų9160.1 Ų60.156%0.55833%0.333SS*.EExtended strand (participates in β ladder)trans-68125.7176.2-57.60000110.4E334T326-E334 HydrophobicContact CG2-CG 3.96Å
327E93.2Very high94.6Very high80 Ų8059.7 Ų59.737%0.37433%0.332SS..EExtended strand (participates in β ladder)trans-99.6-18.6178.8-59-72.8161.100111.9S325 V335 T337 K347 W349S325-E327 PolarHBondContact O-N 2.98Å; E327-V335 PolarHBondContact N-O 3.21Å; E327-T337 HydrophobicContact CG-CG2 3.5Å; E327-T337 WeakPolarHBondContact OE1-CG2 3.17Å; E327-T337 PolarHBondContact OE1-OG1 2.75Å; E327-K347 IonicContact OE1-NZ 2.88Å; E327-W349 HydrophobicContact CG-CZ3 4.17Å
328G93.1Very high94.7Very high25 Ų2560.6 Ų60.626%0.25834%0.335SS..EExtended strand (participates in β ladder)trans149.5-167.3177.900000112.8V335G328-V335 PolarHBondContact N-O 3.21Å; G328-V335 PolarHBondContact O-N 2.85Å
329S93.2Very high94.6Very high58 Ų5867.7 Ų67.741%0.40635%0.347SS..EExtended strand (participates in β ladder)trans-127.1141.2173.2179.50000109.2Q56 A333Q56-S329 PolarHBondContact NE2-O 3.5Å; S329-A333 CarbonylContact C-O 3.49Å; S329-A333 VanDerWaalsContact CA-O 3.31Å; S329-A333 WeakPolarHBondContact CA-O 3.5Å; S329-A333 PolarHBondContact OG-O 2.87Å
330Y91.9Very high94.3Very high40 Ų4064.4 Ų64.416%0.15733%0.331CS..EExtended strand (participates in β ladder)trans-142.2132.3-179.6-56.7-79.1000109Q56 K73 G332 A333 V335 P486Q56-Y330 HydrophobicContact CG-CD1 4.34Å; K73-Y330 VanDerWaalsContact NZ-CE1 3.31Å; K73-Y330 PolarHBondContact NZ-OH 2.74Å; Y330-G332 PolarHBondContact O-N 3.17Å; Y330-G332 VanDerWaalsContact O-N 3.13Å; Y330-A333 PolarHBondContact N-O 3.2Å; Y330-A333 PolarHBondContact O-N 3Å; Y330-V335 HydrophobicContact CD2-CB 4.29Å; Y330-V335 HydrophobicContact CD2-CG2 3.68Å; Y330-V335 HydrophobicContact CE2-CB 4.43Å; Y330-V335 HydrophobicContact CE2-CG2 4.27Å; Y330-P486 HydrophobicContact CD1-CB 4.4Å; Y330-P486 HydrophobicContact CD1-CG 4.39Å; Y330-P486 HydrophobicContact CD2-CB 4.39Å; Y330-P486 HydrophobicContact CD2-CG 4.15Å; Y330-P486 HydrophobicContact CE1-CG 4.22Å; Y330-P486 HydrophobicContact CE2-CG 3.94Å; Y330-P486 HydrophobicContact CG-CB 4.25Å; Y330-P486 HydrophobicContact CG-CG 4.35Å
331Y90.6Very high93.9Very high73 Ų7361.2 Ų61.229%0.28634%0.339SS..THydrogen-bonded Turntrans54.930.8178.9-46.4-80.5000114K73 C74 A333 A489 R490 A493 R496K73-Y331 PolarHBondContact O-OH 3.05Å; C74-Y331 VanDerWaalsContact C-OH 3.24Å; C74-Y331 WeakPolarHBondContact CA-OH 3.35Å; C74-Y331 PolarHBondContact O-OH 3.17Å; Y331-A333 VanDerWaalsContact C-N 3.29Å; Y331-A333 PolarHBondContact O-N 3.29Å; Y331-A489 HydrophobicContact CD2-CB 4.46Å; Y331-R490 HydrophobicContact CD2-CB 3.91Å; Y331-R490 HydrophobicContact CD2-CG 4.43Å; Y331-R490 HydrophobicContact CE2-CB 3.79Å; Y331-R490 HydrophobicContact CE2-CG 4.21Å; Y331-R490 PolarHBondContact OH-NH1 3.4Å; Y331-A493 WeakPolarHBondContact O-CB 3.42Å; Y331-R496 PolarHBondContact O-NH1 2.84Å; Y331-R496 PolarHBondContact O-NH2 3.12Å
332G92.6Very high93.5Very high49 Ų4962.8 Ų62.851%0.50535%0.349SS..THydrogen-bonded Turntrans71.819.1-17500000114.6Y330 T353 R496Y330-G332 PolarHBondContact O-N 3.17Å; Y330-G332 VanDerWaalsContact O-N 3.13Å; G332-T353 PolarHBondContact O-OG1 3.03Å; G332-R496 PolarHBondContact O-NH1 3.3Å
333A96.1Very high93.2Very high0 Ų059.8 Ų59.80%036%0.355CS..EExtended strand (participates in β ladder)trans-119.5128.8172.700000110.8S329 Y330 Y331 W352 A489 I492S329-A333 CarbonylContact C-O 3.49Å; S329-A333 VanDerWaalsContact CA-O 3.31Å; S329-A333 WeakPolarHBondContact CA-O 3.5Å; S329-A333 PolarHBondContact OG-O 2.87Å; Y330-A333 PolarHBondContact N-O 3.2Å; Y330-A333 PolarHBondContact O-N 3Å; Y331-A333 VanDerWaalsContact C-N 3.29Å; Y331-A333 PolarHBondContact O-N 3.29Å; A333-W352 VanDerWaalsContact CA-O 3.24Å; A333-W352 WeakPolarHBondContact CA-O 3.37Å; A333-W352 WeakPolarHBondContact CB-O 3.29Å; A333-A489 HydrophobicContact CB-CB 4.13Å; A333-I492 HydrophobicContact CB-CG2 3.43Å; A333-I492 VanDerWaalsContact CB-CG2 3.43Å
334E97.2Very high93.1Very high62 Ų6257.9 Ų57.929%0.2933%0.33SS..EExtended strand (participates in β ladder)trans-76.9137.6175.3-175.5-170.6100.700109.9T326 R350 C351 W352T326-E334 HydrophobicContact CG2-CG 3.96Å; E334-R350 IonicContact OE1-NH2 3Å; E334-R350 PolarHBondContact OE1-NH2 2.86Å; E334-C351 CarbonylContact O-C 3.46Å; E334-C351 VanDerWaalsContact O-CA 3.23Å; E334-C351 WeakPolarHBondContact O-CA 3.21Å; E334-W352 PolarHBondContact N-O 3.14Å; E334-W352 VanDerWaalsContact N-O 3.1Å; E334-W352 PolarHBondContact O-N 2.87Å; E334-W352 PolarHBondContact OE1-NE1 2.88Å
335V97.6Very high92.8Very high0 Ų058.5 Ų58.50%034%0.337CS..EExtended strand (participates in β ladder)trans-117.3132.1-180-177.60000110.3E327 G328 Y330 W349 R350 A489E327-V335 PolarHBondContact N-O 3.21Å; G328-V335 PolarHBondContact N-O 3.21Å; G328-V335 PolarHBondContact O-N 2.85Å; Y330-V335 HydrophobicContact CD2-CB 4.29Å; Y330-V335 HydrophobicContact CD2-CG2 3.68Å; Y330-V335 HydrophobicContact CE2-CB 4.43Å; Y330-V335 HydrophobicContact CE2-CG2 4.27Å; V335-W349 HydrophobicContact CG1-CE3 3.55Å; V335-W349 HydrophobicContact CG1-CZ3 3.75Å; V335-R350 CarbonylContact C-O 3.59Å; V335-R350 WeakPolarHBondContact CA-O 3.24Å; V335-A489 HydrophobicContact CG2-CB 3.59Å
336S98Very high92.7Very high0 Ų055.5 Ų55.50%032%0.315CS..EExtended strand (participates in β ladder)trans-133.9154.5174.8-440000111.1S325 R350S325-S336 CarbonylContact O-C 3.58Å; S325-S336 WeakPolarHBondContact O-CA 3.41Å; S325-S336 WeakPolarHBondContact O-CB 3.4Å; S336-R350 PolarHBondContact N-O 3.11Å; S336-R350 PolarHBondContact O-N 3.05Å; S336-R350 PolarHBondContact OG-NH2 2.81Å
337T97.7Very high92.6Very high6 Ų654.7 Ų54.74%0.03730%0.304CS..EExtended strand (participates in β ladder)trans-120.3154.9176.272.10000112.8W324 S325 E327 K347 M348 W349W324-T337 WeakPolarHBondContact CA-O 3.42Å; S325-T337 PolarHBondContact N-O 3.43Å; S325-T337 PolarHBondContact O-N 3.18Å; E327-T337 HydrophobicContact CG-CG2 3.5Å; E327-T337 WeakPolarHBondContact OE1-CG2 3.17Å; E327-T337 PolarHBondContact OE1-OG1 2.75Å; T337-K347 HydrophobicContact CG2-CD 4.2Å; T337-M348 WeakPolarHBondContact CA-O 3.48Å; T337-W349 HydrophobicContact CG2-CD2 3.65Å; T337-W349 HydrophobicContact CG2-CE3 3.29Å; T337-W349 HydrophobicContact CG2-CG 4.49Å; T337-W349 HydrophobicContact CG2-CH2 3.59Å; T337-W349 HydrophobicContact CG2-CZ2 3.89Å; T337-W349 HydrophobicContact CG2-CZ3 3.26Å
338K96.1Very high92.7Very high58 Ų5852.1 Ų52.125%0.25229%0.292SS..EExtended strand (participates in β ladder)trans-141.2139.6170.1-179172.6174.3-176.30109.7E316 W324 A340 M348E316-K338 IonicContact OE1-NZ 2.93Å; E316-K338 PolarHBondContact OE1-NZ 2.95Å; W324-K338 HydrophobicContact CD2-CB 3.61Å; W324-K338 HydrophobicContact CD2-CD 4.09Å; W324-K338 HydrophobicContact CD2-CG 4.49Å; W324-K338 HydrophobicContact CE3-CB 3.53Å; W324-K338 HydrophobicContact CG-CB 4.22Å; W324-K338 HydrophobicContact CG-CD 4.33Å; W324-K338 HydrophobicContact CH2-CB 3.98Å; W324-K338 HydrophobicContact CZ2-CB 4.06Å; W324-K338 HydrophobicContact CZ2-CD 3.98Å; W324-K338 HydrophobicContact CZ3-CB 3.71Å; K338-A340 PolarHBondContact O-N 3.15Å; K338-M348 HydrophobicContact CB-CE 4.26Å; K338-M348 HydrophobicContact CD-CE 3.88Å; K338-M348 HydrophobicContact CG-CE 4.09Å; K338-M348 PolarHBondContact N-O 2.98Å; K338-M348 PolarHBondContact O-N 3.29Å
339R92.7Very high92.9Very high219 Ų21951.4 Ų51.483%0.82628%0.282SS*.  trans-70.8131.2174.1-169.3-179-69.6-168.80.9108.9
340A88Confident93.2Very high14 Ų1449.5 Ų49.512%0.11627%0.266CS..  trans-71.9152.8170.900000110.5K338 D342 R469K338-A340 PolarHBondContact O-N 3.15Å; A340-D342 VanDerWaalsContact C-N 3.33Å; A340-R469 VanDerWaalsContact CB-NH2 3.3Å
341A84.3Confident93.4Very high114 Ų11447.6 Ų47.694%0.94226%0.258SS*.SBendtrans-75.6-21.5-177.500000113.5
342D86.8Confident93.8Very high67 Ų6747.1 Ų47.136%0.35826%0.256SS..SBendtrans-81.8177.1179.261.768.1000113.4A340 Y344 R469A340-D342 VanDerWaalsContact C-N 3.33Å; D342-Y344 VanDerWaalsContact C-N 3.31Å; D342-Y344 WeakPolarHBondContact OD1-CA 3.25Å; D342-Y344 WeakPolarHBondContact OD1-CB 3.08Å; D342-Y344 PolarHBondContact OD1-N 2.77Å; D342-R469 IonicContact OD1-CZ 3Å; D342-R469 IonicContact OD1-NH1 3.86Å; D342-R469 PolarHBondContact OD1-NH1 2.95Å; D342-R469 IonicContact OD1-NH2 3.15Å; D342-R469 PolarHBondContact OD1-NH2 2.88Å; D342-R469 IonicContact OD2-CZ 2.75Å; D342-R469 IonicContact OD2-NH1 3.38Å; D342-R469 PolarHBondContact OD2-NH1 2.81Å; D342-R469 IonicContact OD2-NH2 3.72Å; D342-R469 PolarHBondContact OD2-NH2 2.87Å
343T85Confident94Very high147 Ų14745.1 Ų45.190%0.90223%0.234SC*.SBendtrans-82.7-6.3-177.258.10000113.6
344Y90.5Very high94.1Very high17 Ų1748.5 Ų48.57%0.06725%0.25CC..SBendtrans-73.1134.1-176.1-166.5-82.9000110.4P9 A287 L288 D342 L346 F448 R469 D471P9-Y344 WeakPolarHBondContact CD-OH 3.39Å; P9-Y344 HydrophobicContact CG-CD2 4.19Å; P9-Y344 HydrophobicContact CG-CE2 3.69Å; A287-Y344 HydrophobicContact CB-CD2 4.09Å; A287-Y344 HydrophobicContact CB-CE2 4.34Å; L288-Y344 HydrophobicContact CB-CD2 4.41Å; L288-Y344 VanDerWaalsContact CD1-CB 3.45Å; L288-Y344 HydrophobicContact CD1-CD1 4.36Å; L288-Y344 HydrophobicContact CD1-CD2 3.83Å; L288-Y344 HydrophobicContact CD1-CG 3.62Å; L288-Y344 HydrophobicContact CG-CD2 4.2Å; L288-Y344 HydrophobicContact CG-CG 4.43Å; D342-Y344 VanDerWaalsContact C-N 3.31Å; D342-Y344 WeakPolarHBondContact OD1-CA 3.25Å; D342-Y344 WeakPolarHBondContact OD1-CB 3.08Å; D342-Y344 PolarHBondContact OD1-N 2.77Å; Y344-L346 HydrophobicContact CD1-CB 4.05Å; Y344-L346 HydrophobicContact CD1-CG 4.13Å; Y344-L346 HydrophobicContact CE1-CB 4.1Å; Y344-L346 HydrophobicContact CE1-CD1 3.77Å; Y344-L346 HydrophobicContact CE1-CG 3.69Å; Y344-L346 PolarHBondContact O-N 2.83Å; Y344-F448 AromaticContact CD1-CE2 3.87Å; Y344-F448 HydrophobicContact CD1-CE2 3.87Å; Y344-F448 HydrophobicContact CD1-CZ 4.17Å; Y344-F448 HydrophobicContact CD2-CZ 4.24Å; Y344-F448 AromaticContact CE1-CE2 3.5Å; Y344-F448 HydrophobicContact CE1-CE2 3.5Å; Y344-F448 AromaticContact CE1-CZ 3.8Å; Y344-F448 HydrophobicContact CE1-CZ 3.8Å; Y344-F448 HydrophobicContact CE2-CE2 4.4Å; Y344-F448 AromaticContact CE2-CZ 3.84Å; Y344-F448 HydrophobicContact CE2-CZ 3.84Å; Y344-F448 HydrophobicContact CG-CZ 4.4Å; Y344-F448 AromaticContact CZ-CE2 3.81Å; Y344-F448 AromaticContact CZ-CZ 3.63Å; Y344-R469 PolarHBondContact O-NH2 2.82Å; Y344-D471 PolarHBondContact OH-OD2 3.41Å
345P90.5Very high94.1Very high37 Ų3745.6 Ų45.624%0.2424%0.236CC..SBendtrans-71.8-1.1-161.826.7-37.3000116.3V8 P9 K477V8-P345 HydrophobicContact CB-CG 4.13Å; V8-P345 HydrophobicContact CG1-CB 4.33Å; V8-P345 HydrophobicContact CG1-CG 3.65Å; P9-P345 HydrophobicContact CG-CG 4Å; P345-K477 HydrophobicContact CB-CD 4.07Å; P345-K477 VanDerWaalsContact O-CE 3.22Å; P345-K477 WeakPolarHBondContact O-CE 3.38Å
346L94.5Very high94Very high9 Ų951 Ų515%0.04726%0.262CS..PPolyproline II helixtrans-93.5132-178.8-67.8-176.1000112.3V8 Y344 F448 R469 I470 D471 Y480V8-L346 HydrophobicContact CG1-CD2 4.44Å; V8-L346 HydrophobicContact CG2-CD1 4.16Å; V8-L346 HydrophobicContact CG2-CD2 4.08Å; V8-L346 HydrophobicContact CG2-CG 4.22Å; Y344-L346 HydrophobicContact CD1-CB 4.05Å; Y344-L346 HydrophobicContact CD1-CG 4.13Å; Y344-L346 HydrophobicContact CE1-CB 4.1Å; Y344-L346 HydrophobicContact CE1-CD1 3.77Å; Y344-L346 HydrophobicContact CE1-CG 3.69Å; Y344-L346 PolarHBondContact O-N 2.83Å; L346-F448 HydrophobicContact CD1-CE2 4.46Å; L346-R469 HydrophobicContact CB-CG 4.39Å; L346-R469 PolarHBondContact O-NE 3.46Å; L346-R469 PolarHBondContact O-NH2 2.71Å; L346-I470 WeakPolarHBondContact CD1-O 3.31Å; L346-D471 HydrophobicContact CD1-CB 4.1Å; L346-Y480 HydrophobicContact CD1-CD1 4.31Å; L346-Y480 HydrophobicContact CD1-CE1 4.18Å; L346-Y480 HydrophobicContact CD2-CD1 3.86Å; L346-Y480 HydrophobicContact CD2-CD2 3.63Å; L346-Y480 HydrophobicContact CD2-CE1 4.43Å; L346-Y480 HydrophobicContact CD2-CE2 4.24Å; L346-Y480 HydrophobicContact CD2-CG 3.42Å; L346-Y480 VanDerWaalsContact CD2-CG 3.42Å
347K94.5Very high94Very high74 Ų7451.2 Ų51.232%0.32226%0.263SS..PPolyproline II helixtrans-71.8160.5168-57.6-178.4-176.6-179.30110.5E327 T337E327-K347 IonicContact OE1-NZ 2.88Å; T337-K347 HydrophobicContact CG2-CD 4.2Å
348M96Very high94Very high26 Ų2653 Ų5313%0.12828%0.275CS..EExtended strand (participates in β ladder)trans-82.8144.8161.5-59.3-169.3-64.400109.6W324 T337 K338 R469W324-M348 HydrophobicContact CH2-CB 3.62Å; W324-M348 HydrophobicContact CH2-CE 4.15Å; W324-M348 HydrophobicContact CZ2-CE 4.08Å; W324-M348 HydrophobicContact CZ3-CB 4.01Å; T337-M348 WeakPolarHBondContact CA-O 3.48Å; K338-M348 HydrophobicContact CB-CE 4.26Å; K338-M348 HydrophobicContact CD-CE 3.88Å; K338-M348 HydrophobicContact CG-CE 4.09Å; K338-M348 PolarHBondContact N-O 2.98Å; K338-M348 PolarHBondContact O-N 3.29Å; M348-R469 HydrophobicContact CG-CB 4.31Å; M348-R469 HydrophobicContact CG-CG 4.48Å
349W97.8Very high94.1Very high10 Ų1051.1 Ų51.14%0.03827%0.268CS..EExtended strand (participates in β ladder)trans-117.9136.2177-67.283.1000109E327 V335 T337 I467 S468 Y480 T481 F484E327-W349 HydrophobicContact CG-CZ3 4.17Å; V335-W349 HydrophobicContact CG1-CE3 3.55Å; V335-W349 HydrophobicContact CG1-CZ3 3.75Å; T337-W349 HydrophobicContact CG2-CD2 3.65Å; T337-W349 HydrophobicContact CG2-CE3 3.29Å; T337-W349 HydrophobicContact CG2-CG 4.49Å; T337-W349 HydrophobicContact CG2-CH2 3.59Å; T337-W349 HydrophobicContact CG2-CZ2 3.89Å; T337-W349 HydrophobicContact CG2-CZ3 3.26Å; W349-I467 CarbonylContact O-C 3.57Å; W349-I467 VanDerWaalsContact O-CA 3.24Å; W349-I467 WeakPolarHBondContact O-CA 3.41Å; W349-S468 PolarHBondContact N-O 3.05Å; W349-S468 PolarHBondContact O-N 3.36Å; W349-Y480 WeakPolarHBondContact CZ2-O 2.99Å; W349-T481 WeakPolarHBondContact CH2-O 3.44Å; W349-F484 HydrophobicContact CB-CD1 4.36Å; W349-F484 HydrophobicContact CB-CE1 4.41Å; W349-F484 AromaticContact CD1-CD1 3.31Å; W349-F484 AromaticContact CD1-CE1 3.73Å; W349-F484 HydrophobicContact CD2-CD1 4.25Å; W349-F484 AromaticContact CG-CD1 3.73Å; W349-F484 HydrophobicContact CG-CD1 3.73Å; W349-F484 HydrophobicContact CG-CE1 4.16Å; W349-F484 AromaticContact NE1-CD1 3.55Å
350R98Very high94.4Very high18 Ų1845.9 Ų45.97%0.06825%0.252CS..EExtended strand (participates in β ladder)trans-120124.8173.7-177.8-162.472.6169.15.1107.8W324 E334 V335 S336 T465 H466 I467W324-R350 HydrophobicContact CD2-CB 4.24Å; W324-R350 HydrophobicContact CE3-CB 3.6Å; W324-R350 HydrophobicContact CH2-CB 3.98Å; W324-R350 HydrophobicContact CZ3-CB 3.47Å; W324-R350 VanDerWaalsContact CZ3-CB 3.47Å; E334-R350 IonicContact OE1-NH2 3Å; E334-R350 PolarHBondContact OE1-NH2 2.86Å; V335-R350 CarbonylContact C-O 3.59Å; V335-R350 WeakPolarHBondContact CA-O 3.24Å; S336-R350 PolarHBondContact N-O 3.11Å; S336-R350 PolarHBondContact O-N 3.05Å; S336-R350 PolarHBondContact OG-NH2 2.81Å; R350-T465 HydrophobicContact CG-CG2 3.75Å; R350-H466 CarbonylContact C-O 3.57Å; R350-H466 VanDerWaalsContact CA-O 3.29Å; R350-H466 WeakPolarHBondContact CA-O 3.44Å; R350-I467 HydrophobicContact CB-CG1 4.24Å; R350-I467 HydrophobicContact CG-CG1 4.03Å
351C97.9Very high94.8Very high0 Ų050 Ų500%027%0.268CS..EExtended strand (participates in β ladder)trans-117.5142.3170.7-56.80000109E334 T465 H466 C488 I492E334-C351 CarbonylContact O-C 3.46Å; E334-C351 VanDerWaalsContact O-CA 3.23Å; E334-C351 WeakPolarHBondContact O-CA 3.21Å; C351-T465 CarbonylContact O-C 3.26Å; C351-T465 WeakPolarHBondContact O-CA 3.41Å; C351-H466 PolarHBondContact N-O 2.9Å; C351-H466 PolarHBondContact O-N 2.82Å; C351-C488 WeakPolarHBondContact SG-CB 3.45Å; C351-I492 HydrophobicContact CB-CD1 4.29Å; C351-I492 HydrophobicContact CB-CG2 4.15Å; C351-I492 WeakPolarHBondContact O-CD1 3.34Å
352W97.8Very high95.5Very high62 Ų6244.5 Ų44.524%0.23522%0.223CC..EExtended strand (participates in β ladder)trans-143.3151171.781.1-87.4000112.7A333 E334 E354 R463 L464 T465A333-W352 VanDerWaalsContact CA-O 3.24Å; A333-W352 WeakPolarHBondContact CA-O 3.37Å; A333-W352 WeakPolarHBondContact CB-O 3.29Å; E334-W352 PolarHBondContact N-O 3.14Å; E334-W352 VanDerWaalsContact N-O 3.1Å; E334-W352 PolarHBondContact O-N 2.87Å; E334-W352 PolarHBondContact OE1-NE1 2.88Å; W352-E354 HydrophobicContact CZ3-CG 4.2Å; W352-R463 HydrophobicContact CE3-CG 3.9Å; W352-R463 HydrophobicContact CZ3-CG 4.34Å; W352-L464 CarbonylContact C-O 3.57Å; W352-L464 WeakPolarHBondContact CA-O 3.36Å; W352-L464 WeakPolarHBondContact CB-O 3.5Å; W352-T465 HydrophobicContact CB-CG2 4.3Å
353T97.7Very high96Very high8 Ų841.6 Ų41.65%0.04921%0.208CC..EExtended strand (participates in β ladder)trans-153.7169.3175.2-1610000110.5G332 V355 L464 I492 R496G332-T353 PolarHBondContact O-OG1 3.03Å; T353-V355 HydrophobicContact CG2-CG2 4.3Å; T353-L464 PolarHBondContact N-O 3.16Å; T353-L464 PolarHBondContact O-N 3.41Å; T353-I492 HydrophobicContact CG2-CD1 4.45Å; T353-I492 HydrophobicContact CG2-CG1 4.13Å; T353-I492 HydrophobicContact CG2-CG2 4.19Å; T353-R496 HydrophobicContact CG2-CB 4.06Å; T353-R496 PolarHBondContact OG1-NH1 3.48Å
354E97.2Very high96.7Very high71 Ų7139.7 Ų39.733%0.33219%0.187SC..EExtended strand (participates in β ladder)trans-94.1137.8171.6-65.4-164.7171.200110.7W352 R461 S462 R496W352-E354 HydrophobicContact CZ3-CG 4.2Å; E354-R461 IonicContact OE2-CZ 3.41Å; E354-R461 IonicContact OE2-NH1 2.72Å; E354-R461 PolarHBondContact OE2-NH1 3.39Å; E354-S462 CarbonylContact C-O 3.6Å; E354-S462 WeakPolarHBondContact CA-O 3.11Å; E354-R496 WeakPolarHBondContact O-CD 3.4Å; E354-R496 VanDerWaalsContact O-CG 3.27Å; E354-R496 WeakPolarHBondContact O-CG 3.43Å
355V97.8Very high97Very high0 Ų039.1 Ų39.10%019%0.185CC..EExtended strand (participates in β ladder)trans-121.1134.5-179.8-174.80000109.6T353 A357 V362 R461 S462 L464 R496 F499T353-V355 HydrophobicContact CG2-CG2 4.3Å; V355-A357 HydrophobicContact CG1-CB 4.27Å; V355-A357 PolarHBondContact O-N 3.15Å; V355-V362 HydrophobicContact CB-CG2 4.15Å; V355-V362 HydrophobicContact CG1-CG2 3.77Å; V355-R461 WeakPolarHBondContact O-CA 3.25Å; V355-S462 PolarHBondContact N-O 3.33Å; V355-S462 PolarHBondContact O-N 2.89Å; V355-L464 HydrophobicContact CG2-CB 3.77Å; V355-L464 HydrophobicContact CG2-CD2 3.95Å; V355-R496 HydrophobicContact CG2-CB 4.05Å; V355-R496 HydrophobicContact CG2-CG 4.39Å; V355-F499 HydrophobicContact CG1-CD2 3.46Å; V355-F499 VanDerWaalsContact CG1-CD2 3.46Å; V355-F499 HydrophobicContact CG1-CE2 3.83Å; V355-F499 HydrophobicContact CG1-CG 4.1Å
356Q96.2Very high97.3Very high115 Ų11537.7 Ų37.754%0.53718%0.175SC..SBendtrans-81.452.2-179.6-60.6-68.3-12.400111.8L500Q356-L500 HydrophobicContact CG-CD2 4.4Å
357A97.1Very high97.4Very high3 Ų337.9 Ų37.93%0.02518%0.176CC..SBendtrans-156.5153.5177.500000110.6V355 E361 V362 G460 R461 S462 F499V355-A357 HydrophobicContact CG1-CB 4.27Å; V355-A357 PolarHBondContact O-N 3.15Å; A357-E361 HydrophobicContact CB-CB 4.39Å; A357-V362 HydrophobicContact CB-CG2 3.82Å; A357-G460 CarbonylContact C-O 3.49Å; A357-G460 WeakPolarHBondContact CA-O 3.24Å; A357-R461 CarbonylContact O-C 3.58Å; A357-S462 VanDerWaalsContact O-CB 3.31Å; A357-S462 WeakPolarHBondContact O-CB 3.37Å; A357-S462 PolarHBondContact O-N 2.92Å; A357-S462 VanDerWaalsContact O-N 3.13Å; A357-S462 PolarHBondContact O-OG 3.05Å; A357-F499 HydrophobicContact CB-CD1 3.46Å; A357-F499 VanDerWaalsContact CB-CD1 3.46Å; A357-F499 HydrophobicContact CB-CD2 4.45Å; A357-F499 HydrophobicContact CB-CE1 3.48Å; A357-F499 VanDerWaalsContact CB-CE1 3.48Å; A357-F499 HydrophobicContact CB-CE2 4.47Å; A357-F499 HydrophobicContact CB-CG 3.97Å; A357-F499 HydrophobicContact CB-CZ 4.01Å
358P97.6Very high97.5Very high45 Ų4538.2 Ų38.229%0.29219%0.187SC..  trans-72.9158.1179.329.3-35000111.9K360 E361 V362P358-K360 VanDerWaalsContact C-N 3.31Å; P358-K360 PolarHBondContact O-N 3.33Å; P358-K360 VanDerWaalsContact O-N 3.12Å; P358-E361 HydrophobicContact CG-CB 4.11Å; P358-E361 HydrophobicContact CG-CG 3.81Å; P358-E361 WeakPolarHBondContact CG-OE1 3.38Å; P358-E361 PolarHBondContact O-N 3.38Å; P358-V362 PolarHBondContact O-N 3.09Å; P358-V362 VanDerWaalsContact O-N 3.15Å
359P98.3Very high97.4Very high17 Ų1739.5 Ų39.511%0.1119%0.192CC..Hα-helixtrans-56.6-38.5-168-31.936.7000115.6E361 V362 L363 C425 I454 P456 S462P359-E361 VanDerWaalsContact C-N 3.35Å; P359-E361 PolarHBondContact O-N 2.8Å; P359-V362 PolarHBondContact O-N 3.35Å; P359-L363 WeakPolarHBondContact O-CB 3.36Å; P359-L363 PolarHBondContact O-N 2.96Å; P359-C425 HydrophobicContact CB-CB 4.5Å; P359-I454 HydrophobicContact CB-CB 4.29Å; P359-I454 HydrophobicContact CB-CG2 3.78Å; P359-I454 HydrophobicContact CG-CG2 4.45Å; P359-P456 HydrophobicContact CG-CG 3.98Å; P359-S462 WeakPolarHBondContact CA-OG 3.36Å; P359-S462 VanDerWaalsContact CD-OG 3.23Å; P359-S462 WeakPolarHBondContact CD-OG 3.49Å; P359-S462 WeakPolarHBondContact CG-OG 3.38Å
360K98Very high97.2Very high109 Ų10940 Ų4047%0.47419%0.194SC..Hα-helixtrans-66.9-35.5179.9-67.7-178.4-179.61780112.4P358 F364 D417P358-K360 VanDerWaalsContact C-N 3.31Å; P358-K360 PolarHBondContact O-N 3.33Å; P358-K360 VanDerWaalsContact O-N 3.12Å; K360-F364 WeakPolarHBondContact O-CB 3.21Å; K360-F364 PolarHBondContact O-N 2.65Å; K360-D417 VanDerWaalsContact CE-CG 3.48Å; K360-D417 WeakPolarHBondContact CE-OD1 3.41Å; K360-D417 VanDerWaalsContact CE-OD2 3.24Å; K360-D417 WeakPolarHBondContact CE-OD2 3.14Å; K360-D417 IonicContact NZ-OD1 3.5Å; K360-D417 PolarHBondContact NZ-OD1 3.17Å; K360-D417 IonicContact NZ-OD2 2.77Å; K360-D417 PolarHBondContact NZ-OD2 3.05Å
361E97.8Very high96.8Very high100 Ų10044.2 Ų44.247%0.46722%0.218SC..Hα-helixtrans-72.1-40.5176.4-71.8-178.1-139.600111.4A357 P358 P359 L363 F364 R365 F499A357-E361 HydrophobicContact CB-CB 4.39Å; P358-E361 HydrophobicContact CG-CB 4.11Å; P358-E361 HydrophobicContact CG-CG 3.81Å; P358-E361 WeakPolarHBondContact CG-OE1 3.38Å; P358-E361 PolarHBondContact O-N 3.38Å; P359-E361 VanDerWaalsContact C-N 3.35Å; P359-E361 PolarHBondContact O-N 2.8Å; E361-L363 VanDerWaalsContact C-N 3.34Å; E361-F364 PolarHBondContact O-N 3.1Å; E361-R365 WeakPolarHBondContact O-CB 3.33Å; E361-R365 PolarHBondContact O-N 3.47Å; E361-F499 HydrophobicContact CB-CE1 4.43Å
362V98.2Very high96.6Very high0 Ų048.5 Ų48.50%024%0.241CC..Hα-helixtrans-62.4-43.4173.8-178.70000110.8V355 A357 P358 P359 F364 R365 I366 I454 L464 I495 F499V355-V362 HydrophobicContact CB-CG2 4.15Å; V355-V362 HydrophobicContact CG1-CG2 3.77Å; A357-V362 HydrophobicContact CB-CG2 3.82Å; P358-V362 PolarHBondContact O-N 3.09Å; P358-V362 VanDerWaalsContact O-N 3.15Å; P359-V362 PolarHBondContact O-N 3.35Å; V362-F364 VanDerWaalsContact C-N 3.35Å; V362-F364 PolarHBondContact O-N 3.41Å; V362-R365 WeakPolarHBondContact O-CB 3.24Å; V362-R365 PolarHBondContact O-N 3.41Å; V362-I366 HydrophobicContact CG1-CD1 4.18Å; V362-I366 WeakPolarHBondContact O-CG1 3.44Å; V362-I366 PolarHBondContact O-N 3.41Å; V362-I366 VanDerWaalsContact O-N 3.16Å; V362-I454 HydrophobicContact CB-CD1 4.4Å; V362-I454 HydrophobicContact CB-CG2 3.86Å; V362-I454 HydrophobicContact CG1-CD1 4.13Å; V362-I454 HydrophobicContact CG1-CG2 3.97Å; V362-I454 HydrophobicContact CG2-CG2 4.47Å; V362-L464 HydrophobicContact CG1-CD1 4.04Å; V362-L464 HydrophobicContact CG1-CD2 4.07Å; V362-L464 HydrophobicContact CG1-CG 4.48Å; V362-I495 HydrophobicContact CG1-CG2 4.4Å; V362-F499 HydrophobicContact CG2-CE2 4.21Å; V362-F499 HydrophobicContact CG2-CZ 4.14Å
363L98.5Very high96.4Very high6 Ų645.9 Ų45.93%0.03123%0.231CC..Hα-helixtrans-59.3-47174.6-18064.9000111.2P359 E361 R365 I366 L367 W414 T416 C425 L427 I454P359-L363 WeakPolarHBondContact O-CB 3.36Å; P359-L363 PolarHBondContact O-N 2.96Å; E361-L363 VanDerWaalsContact C-N 3.34Å; L363-R365 VanDerWaalsContact C-N 3.34Å; L363-R365 PolarHBondContact O-N 2.74Å; L363-I366 PolarHBondContact O-N 3.02Å; L363-L367 HydrophobicContact CD1-CD1 3.86Å; L363-L367 HydrophobicContact CD1-CG 4.1Å; L363-L367 HydrophobicContact CD2-CD1 4.21Å; L363-L367 HydrophobicContact CG-CD1 3.74Å; L363-L367 HydrophobicContact CG-CG 4.33Å; L363-L367 WeakPolarHBondContact O-CG 3.03Å; L363-L367 PolarHBondContact O-N 2.93Å; L363-W414 HydrophobicContact CD1-CB 4.24Å; L363-W414 HydrophobicContact CD2-CB 4.32Å; L363-W414 HydrophobicContact CD2-CG 4.31Å; L363-T416 HydrophobicContact CD2-CG2 3.74Å; L363-C425 HydrophobicContact CB-CB 4.24Å; L363-C425 HydrophobicContact CD2-CB 3.99Å; L363-L427 HydrophobicContact CD1-CB 3.91Å; L363-L427 HydrophobicContact CD1-CD2 4.48Å; L363-I454 HydrophobicContact CB-CD1 3.78Å; L363-I454 HydrophobicContact CD1-CD1 4.11Å
364F98Very high96.1Very high107 Ų10745.7 Ų45.747%0.46923%0.229SC..Hα-helixtrans-60-43.5178.7-176.6-95.2000111.8K360 E361 V362 I366 L367 C368 E369K360-F364 WeakPolarHBondContact O-CB 3.21Å; K360-F364 PolarHBondContact O-N 2.65Å; E361-F364 PolarHBondContact O-N 3.1Å; V362-F364 VanDerWaalsContact C-N 3.35Å; V362-F364 PolarHBondContact O-N 3.41Å; F364-I366 VanDerWaalsContact C-N 3.28Å; F364-I366 PolarHBondContact O-N 3.41Å; F364-L367 PolarHBondContact O-N 3.28Å; F364-C368 HydrophobicContact CD1-CB 4.48Å; F364-C368 HydrophobicContact CD2-CB 4.13Å; F364-C368 HydrophobicContact CE1-CB 4.19Å; F364-C368 HydrophobicContact CE2-CB 3.82Å; F364-C368 HydrophobicContact CG-CB 4.46Å; F364-C368 HydrophobicContact CZ-CB 3.85Å; F364-C368 WeakPolarHBondContact O-CB 3.49Å; F364-C368 PolarHBondContact O-N 2.83Å; F364-E369 HydrophobicContact CD1-CG 4.13Å; F364-E369 HydrophobicContact CE1-CG 3.76Å
365R97.6Very high95.5Very high4 Ų447.5 Ų47.52%0.01525%0.245CC..Hα-helixtrans-56.6-40.3175.2177.661.852.285.12.8112.5E361 V362 L363 E369 W373 I495 S498 F499E361-R365 WeakPolarHBondContact O-CB 3.33Å; E361-R365 PolarHBondContact O-N 3.47Å; V362-R365 WeakPolarHBondContact O-CB 3.24Å; V362-R365 PolarHBondContact O-N 3.41Å; L363-R365 VanDerWaalsContact C-N 3.34Å; L363-R365 PolarHBondContact O-N 2.74Å; R365-E369 IonicContact CZ-OE2 2.72Å; R365-E369 IonicContact NE-OE2 3.28Å; R365-E369 PolarHBondContact NE-OE2 2.72Å; R365-E369 IonicContact NH2-OE2 3.16Å; R365-E369 PolarHBondContact NH2-OE2 3.48Å; R365-E369 CarbonylContact O-C 3.47Å; R365-E369 VanDerWaalsContact O-C 3.26Å; R365-E369 PolarHBondContact O-N 3.12Å; R365-W373 PolarHBondContact O-NE1 3.46Å; R365-W373 VanDerWaalsContact O-NE1 3.07Å; R365-I495 HydrophobicContact CG-CG2 4.49Å; R365-S498 VanDerWaalsContact NH1-CB 3.29Å; R365-S498 PolarHBondContact NH1-O 3.03Å; R365-S498 PolarHBondContact NH1-OG 2.64Å; R365-F499 HydrophobicContact CB-CE2 3.96Å; R365-F499 HydrophobicContact CB-CZ 3.53Å; R365-F499 HydrophobicContact CG-CE2 3.77Å; R365-F499 HydrophobicContact CG-CZ 3.81Å
366I97.5Very high95.1Very high7 Ų748.7 Ų48.74%0.03625%0.252CS..Hα-helixtrans-72.9-43.4179.1-64.5166.2000111.1V362 L363 F364 W373 L427 Y452 I454 L464 I495V362-I366 HydrophobicContact CG1-CD1 4.18Å; V362-I366 WeakPolarHBondContact O-CG1 3.44Å; V362-I366 PolarHBondContact O-N 3.41Å; V362-I366 VanDerWaalsContact O-N 3.16Å; L363-I366 PolarHBondContact O-N 3.02Å; F364-I366 VanDerWaalsContact C-N 3.28Å; F364-I366 PolarHBondContact O-N 3.41Å; I366-W373 HydrophobicContact CG2-CZ2 4.49Å; I366-L427 HydrophobicContact CG2-CD2 3.7Å; I366-Y452 HydrophobicContact CD1-CD1 3.83Å; I366-Y452 HydrophobicContact CD1-CE1 4.1Å; I366-Y452 HydrophobicContact CD1-CG 4.23Å; I366-Y452 HydrophobicContact CG2-CD2 4.44Å; I366-Y452 HydrophobicContact CG2-CE2 4.15Å; I366-I454 HydrophobicContact CD1-CD1 4.16Å; I366-L464 HydrophobicContact CD1-CD1 3.95Å; I366-I495 HydrophobicContact CD1-CD1 4.24Å; I366-I495 HydrophobicContact CG1-CD1 3.94Å; I366-I495 HydrophobicContact CG1-CG1 4.48Å; I366-I495 HydrophobicContact CG1-CG2 4.26Å
367L96.6Very high94.8Very high14 Ų1445.2 Ų45.27%0.07324%0.236CC..Hα-helixtrans-75.7-40.7-174.8-75175.4000113.8L363 F364 R412 W414 L427L363-L367 HydrophobicContact CD1-CD1 3.86Å; L363-L367 HydrophobicContact CD1-CG 4.1Å; L363-L367 HydrophobicContact CD2-CD1 4.21Å; L363-L367 HydrophobicContact CG-CD1 3.74Å; L363-L367 HydrophobicContact CG-CG 4.33Å; L363-L367 WeakPolarHBondContact O-CG 3.03Å; L363-L367 PolarHBondContact O-N 2.93Å; F364-L367 PolarHBondContact O-N 3.28Å; L367-R412 PolarHBondContact O-NH1 3.29Å; L367-W414 HydrophobicContact CD1-CB 4.39Å; L367-W414 HydrophobicContact CD1-CD2 3.62Å; L367-W414 HydrophobicContact CD1-CE3 4.15Å; L367-W414 HydrophobicContact CD1-CG 3.73Å; L367-W414 HydrophobicContact CD1-CZ2 4.29Å; L367-W414 HydrophobicContact CD2-CD2 4.24Å; L367-W414 HydrophobicContact CD2-CE3 3.94Å; L367-W414 HydrophobicContact CD2-CZ3 4.33Å; L367-L427 HydrophobicContact CD2-CD1 3.89Å; L367-L427 HydrophobicContact CD2-CD2 3.86Å; L367-L427 HydrophobicContact CG-CD2 4.4Å
368C94.9Very high94.5Very high80 Ų8046.6 Ų46.654%0.54125%0.25SS..Hα-helixtrans-120-20.5-162.2-62.80000113.7F364F364-C368 HydrophobicContact CD1-CB 4.48Å; F364-C368 HydrophobicContact CD2-CB 4.13Å; F364-C368 HydrophobicContact CE1-CB 4.19Å; F364-C368 HydrophobicContact CE2-CB 3.82Å; F364-C368 HydrophobicContact CG-CB 4.46Å; F364-C368 HydrophobicContact CZ-CB 3.85Å; F364-C368 WeakPolarHBondContact O-CB 3.49Å; F364-C368 PolarHBondContact O-N 2.83Å
369E94.3Very high94.1Very high53 Ų5348.3 Ų48.325%0.24826%0.262CS..  trans-125.838.3-172.5-55.1-177.7138.700111.9F364 R365 N371 L372F364-E369 HydrophobicContact CD1-CG 4.13Å; F364-E369 HydrophobicContact CE1-CG 3.76Å; R365-E369 IonicContact CZ-OE2 2.72Å; R365-E369 IonicContact NE-OE2 3.28Å; R365-E369 PolarHBondContact NE-OE2 2.72Å; R365-E369 IonicContact NH2-OE2 3.16Å; R365-E369 PolarHBondContact NH2-OE2 3.48Å; R365-E369 CarbonylContact O-C 3.47Å; R365-E369 VanDerWaalsContact O-C 3.26Å; R365-E369 PolarHBondContact O-N 3.12Å; E369-N371 PolarHBondContact O-N 3.23Å; E369-L372 HydrophobicContact CB-CD1 3.76Å; E369-L372 HydrophobicContact CB-CG 4.04Å; E369-L372 HydrophobicContact CG-CD1 4.28Å; E369-L372 WeakPolarHBondContact O-CB 3.42Å; E369-L372 PolarHBondContact O-N 3.1Å
370R93.9Very high93.9Very high20 Ų2049.6 Ų49.68%0.07528%0.275CS..G310 helixtrans-59.8-31.6-177-175.3168.5-176.9156.5-0.8113.9L372 W373 D374 M377 Y395R370-L372 PolarHBondContact O-N 3.5Å; R370-W373 HydrophobicContact CB-CZ2 4.15Å; R370-W373 HydrophobicContact CG-CH2 3.96Å; R370-W373 HydrophobicContact CG-CZ2 3.56Å; R370-W373 PolarHBondContact O-N 3.31Å; R370-D374 HydrophobicContact CG-CB 3.72Å; R370-D374 IonicContact CZ-OD2 3.54Å; R370-D374 VanDerWaalsContact CZ-OD2 3.28Å; R370-D374 IonicContact NE-OD2 2.71Å; R370-D374 PolarHBondContact NE-OD2 3.5Å; R370-D374 IonicContact NH2-OD2 3.4Å; R370-D374 PolarHBondContact NH2-OD2 2.88Å; R370-D374 WeakPolarHBondContact O-CB 3.3Å; R370-D374 PolarHBondContact O-N 3.31Å; R370-M377 HydrophobicContact CB-CE 4.44Å; R370-M377 HydrophobicContact CB-SD 3.63Å; R370-M377 HydrophobicContact CG-SD 3.44Å; R370-M377 WeakPolarHBondContact CG-SD 3.32Å; R370-Y395 PolarHBondContact NH1-OH 2.95Å
371N90.7Very high93.6Very high108 Ų10848.3 Ų48.358%0.57827%0.267SS*.G310 helixtrans-61-19.2174.261.5-54.9000113.9E369 M377E369-N371 PolarHBondContact O-N 3.23Å; N371-M377 HydrophobicContact CB-CE 3.62Å
372L92.7Very high93.4Very high90 Ų9046.6 Ų46.647%0.47126%0.263SS..G310 helixtrans-80.7-16.5179.1-60.6-174.4000113.5E369 R370E369-L372 HydrophobicContact CB-CD1 3.76Å; E369-L372 HydrophobicContact CB-CG 4.04Å; E369-L372 HydrophobicContact CG-CD1 4.28Å; E369-L372 WeakPolarHBondContact O-CB 3.42Å; E369-L372 PolarHBondContact O-N 3.1Å; R370-L372 PolarHBondContact O-N 3.5Å
373W93.4Very high93.1Very high6 Ų648.9 Ų48.92%0.02328%0.275CS..THydrogen-bonded Turntrans-131.9-29.8-175.559.5-95.8000114R365 I366 R370 V375 Q494 I495R365-W373 PolarHBondContact O-NE1 3.46Å; R365-W373 VanDerWaalsContact O-NE1 3.07Å; I366-W373 HydrophobicContact CG2-CZ2 4.49Å; R370-W373 HydrophobicContact CB-CZ2 4.15Å; R370-W373 HydrophobicContact CG-CH2 3.96Å; R370-W373 HydrophobicContact CG-CZ2 3.56Å; R370-W373 PolarHBondContact O-N 3.31Å; W373-V375 PolarHBondContact O-N 2.9Å; W373-Q494 HydrophobicContact CB-CB 4.3Å; W373-Q494 WeakPolarHBondContact O-CB 3.37Å; W373-I495 HydrophobicContact CB-CG1 4.39Å; W373-I495 HydrophobicContact CD2-CD1 4.23Å; W373-I495 HydrophobicContact CD2-CG1 3.39Å; W373-I495 HydrophobicContact CE3-CD1 4.18Å; W373-I495 HydrophobicContact CE3-CG1 3.59Å; W373-I495 HydrophobicContact CG-CG1 3.78Å; W373-I495 HydrophobicContact CH2-CD1 4.11Å; W373-I495 HydrophobicContact CH2-CG1 4.32Å; W373-I495 HydrophobicContact CZ2-CD1 4.12Å; W373-I495 HydrophobicContact CZ2-CG1 4.14Å; W373-I495 HydrophobicContact CZ3-CD1 4.13Å; W373-I495 HydrophobicContact CZ3-CG1 4.06Å
374D91.4Very high92.7Very high4 Ų451.1 Ų51.12%0.02128%0.284CS..  trans-8988.7177.9-166.4-12000110.4R370 N376 M377R370-D374 HydrophobicContact CG-CB 3.72Å; R370-D374 IonicContact CZ-OD2 3.54Å; R370-D374 VanDerWaalsContact CZ-OD2 3.28Å; R370-D374 IonicContact NE-OD2 2.71Å; R370-D374 PolarHBondContact NE-OD2 3.5Å; R370-D374 IonicContact NH2-OD2 3.4Å; R370-D374 PolarHBondContact NH2-OD2 2.88Å; R370-D374 WeakPolarHBondContact O-CB 3.3Å; R370-D374 PolarHBondContact O-N 3.31Å; D374-N376 PolarHBondContact O-N 3.46Å; D374-N376 PolarHBondContact OD1-N 3.34Å; D374-M377 HydrophobicContact CB-CB 3.96Å; D374-M377 WeakPolarHBondContact O-CB 3.13Å; D374-M377 PolarHBondContact O-N 2.99Å; D374-M377 PolarHBondContact OD1-N 3.16Å
375V85.4Confident92.4Very high109 Ų10954.2 Ų54.266%0.66130%0.298SS*.THydrogen-bonded Turntrans-59-17.5-179.4-610000114.4W373W373-V375 PolarHBondContact O-N 2.9Å
376N88.1Confident91.9Very high26 Ų2656.7 Ų56.714%0.13931%0.311CS..THydrogen-bonded Turntrans-103.84.3179.1-59.8-57.4000111.9D374 G378 F397 V398D374-N376 PolarHBondContact O-N 3.46Å; D374-N376 PolarHBondContact OD1-N 3.34Å; N376-G378 PolarHBondContact O-N 3.32Å; N376-F397 HydrophobicContact CB-CD2 3.68Å; N376-F397 HydrophobicContact CB-CE1 4.36Å; N376-F397 HydrophobicContact CB-CE2 3.32Å; N376-F397 HydrophobicContact CB-CG 4.35Å; N376-F397 HydrophobicContact CB-CZ 3.69Å; N376-F397 CarbonylContact O-C 3.54Å; N376-F397 WeakPolarHBondContact O-CA 3.37Å; N376-V398 PolarHBondContact O-N 2.97Å
377M90.7Very high91.6Very high41 Ų4161.2 Ų61.220%0.20233%0.327CS..EExtended strand (participates in β ladder)trans-68125.4175.9-168.1178.884.100109.6R370 N371 D374 A380R370-M377 HydrophobicContact CB-CE 4.44Å; R370-M377 HydrophobicContact CB-SD 3.63Å; R370-M377 HydrophobicContact CG-SD 3.44Å; R370-M377 WeakPolarHBondContact CG-SD 3.32Å; N371-M377 HydrophobicContact CB-CE 3.62Å; D374-M377 HydrophobicContact CB-CB 3.96Å; D374-M377 WeakPolarHBondContact O-CB 3.13Å; D374-M377 PolarHBondContact O-N 2.99Å; D374-M377 PolarHBondContact OD1-N 3.16Å; M377-A380 HydrophobicContact CE-CB 4Å; M377-A380 HydrophobicContact SD-CB 3.92Å
378G90.3Very high91.3Very high32 Ų3269.9 Ų69.933%0.3336%0.364SS..EExtended strand (participates in β ladder)trans-87.5-113.8169.600000110.2N376 T396N376-G378 PolarHBondContact O-N 3.32Å; G378-T396 WeakPolarHBondContact CA-OG1 3.23Å; G378-T396 PolarHBondContact N-O 3.19Å
379C90.5Very high91.3Very high81 Ų8169.8 Ų69.855%0.54735%0.353SS..EExtended strand (participates in β ladder)trans-85.8150.6177.1-63.90000111.1Y395 T396 M440C379-Y395 CarbonylContact O-C 3.59Å; C379-Y395 VanDerWaalsContact O-CA 3.23Å; C379-Y395 WeakPolarHBondContact O-CA 3.26Å; C379-T396 PolarHBondContact N-OG1 3.49Å; C379-T396 PolarHBondContact O-N 3.31Å; C379-M440 HydrophobicContact CB-SD 4.14Å
380A92.8Very high91.3Very high45 Ų4567.2 Ų67.237%0.37234%0.341SS..EExtended strand (participates in β ladder)trans-146.4142.5175.300000111.2M377 F393 Q394M377-A380 HydrophobicContact CE-CB 4Å; M377-A380 HydrophobicContact SD-CB 3.92Å; A380-F393 HydrophobicContact CB-CE2 4.06Å; A380-F393 HydrophobicContact CB-CZ 3.71Å; A380-Q394 CarbonylContact C-O 3.52Å; A380-Q394 WeakPolarHBondContact CA-O 3.48Å
381R92.7Very high91.3Very high82 Ų8266.6 Ų66.631%0.30934%0.339SS..EExtended strand (participates in β ladder)trans-154.2149.6176.162.3-176.4-179.7-167.8-2.1112.2L383 F393 Q394 E438 M440R381-L383 HydrophobicContact CG-CD2 3.99Å; R381-L383 VanDerWaalsContact NE-CD2 3.33Å; R381-F393 VanDerWaalsContact O-CD2 3.23Å; R381-F393 WeakPolarHBondContact O-CD2 3.4Å; R381-Q394 HydrophobicContact CG-CB 4.33Å; R381-Q394 VanDerWaalsContact CZ-OE1 3.23Å; R381-Q394 PolarHBondContact N-O 3.03Å; R381-Q394 PolarHBondContact O-N 3.25Å; R381-E438 PolarHBondContact NH2-O 2.92Å; R381-M440 HydrophobicContact CG-CE 4.31Å; R381-M440 HydrophobicContact CG-SD 4.16Å
382V93.3Very high91.5Very high63 Ų6361.6 Ų61.638%0.38231%0.312SS..EExtended strand (participates in β ladder)trans-85.3114.8166.3177.90000107.6K385 D391 I392 F393V382-K385 HydrophobicContact CG1-CG 3.97Å; V382-D391 HydrophobicContact CG1-CB 3.84Å; V382-I392 CarbonylContact C-O 3.54Å; V382-F393 HydrophobicContact CG2-CD2 3.91Å; V382-F393 HydrophobicContact CG2-CE2 4.47Å
383L91Very high91.6Very high48 Ų4858 Ų5825%0.25129%0.293SS..EExtended strand (participates in β ladder)trans-76-42.7179.9-69.9-177.4000111.7R381 I392 Q394 P436R381-L383 HydrophobicContact CG-CD2 3.99Å; R381-L383 VanDerWaalsContact NE-CD2 3.33Å; L383-I392 HydrophobicContact CB-CB 4.37Å; L383-I392 HydrophobicContact CB-CG2 4.18Å; L383-I392 HydrophobicContact CD1-CG2 4.23Å; L383-I392 PolarHBondContact N-O 3.44Å; L383-Q394 HydrophobicContact CD1-CB 3.69Å; L383-Q394 HydrophobicContact CD1-CG 4.18Å; L383-Q394 HydrophobicContact CD2-CB 4.42Å; L383-Q394 HydrophobicContact CG-CB 3.82Å; L383-P436 HydrophobicContact CD1-CB 4.03Å; L383-P436 HydrophobicContact CD1-CG 4.15Å; L383-P436 HydrophobicContact CD2-CB 4.15Å
384K90Very high91.6Very high53 Ų5357.8 Ų57.823%0.2329%0.292CS..EExtended strand (participates in β ladder)trans-152.9128-177.2-175.6172.3175.4178.50111.1T294 D295 I386 D391 I392T294-K384 PolarHBondContact O-NZ 3.27Å; D295-K384 VanDerWaalsContact C-NZ 3.3Å; D295-K384 PolarHBondContact O-NZ 2.96Å; K384-I386 HydrophobicContact CG-CG1 4.42Å; K384-D391 CarbonylContact O-C 3.54Å; K384-D391 VanDerWaalsContact O-CA 3.23Å; K384-D391 WeakPolarHBondContact O-CA 3.34Å; K384-D391 WeakPolarHBondContact O-CB 3.5Å; K384-I392 HydrophobicContact CB-CB 4.43Å; K384-I392 HydrophobicContact CB-CD1 4.44Å; K384-I392 PolarHBondContact N-O 3.11Å; K384-I392 PolarHBondContact O-N 3.23Å
385K91.7Very high91.7Very high172 Ų17258 Ų5875%0.74829%0.293SS*.EExtended strand (participates in β ladder)trans-86.1116.7166.3-66.9-176.6179.5178.90108.5V382 D391V382-K385 HydrophobicContact CG1-CG 3.97Å; K385-D391 HydrophobicContact CG-CB 4.38Å
386I88.8Confident92.1Very high56 Ų5653 Ų5329%0.28726%0.263SS..EExtended strand (participates in β ladder)trans-87.7-44.9-178.4-62.5175.5000110.2I302 K384 C390 I392 L411I302-I386 HydrophobicContact CD1-CD1 3.87Å; I302-I386 HydrophobicContact CD1-CG2 4.03Å; K384-I386 HydrophobicContact CG-CG1 4.42Å; I386-C390 HydrophobicContact CB-CB 4.32Å; I386-C390 PolarHBondContact N-O 3.49Å; I386-I392 HydrophobicContact CD1-CD1 4.2Å; I386-I392 HydrophobicContact CD1-CG1 3.9Å; I386-L411 HydrophobicContact CD1-CD1 3.69Å; I386-L411 HydrophobicContact CD1-CG 4.36Å
387R89.4Confident92.3Very high102 Ų10252.7 Ų52.739%0.38526%0.26SS..EExtended strand (participates in β ladder)trans-150176.9172.653.7170179.3115.2-5.5109.6R389 C390 E415R387-R389 PolarHBondContact O-N 3.36Å; R387-C390 HydrophobicContact CG-CB 3.3Å; R387-C390 PolarHBondContact N-O 3.3Å; R387-C390 VanDerWaalsContact N-O 3.11Å; R387-C390 PolarHBondContact O-N 3.41Å; R387-E415 IonicContact CZ-OE1 3.8Å; R387-E415 IonicContact NH1-OE1 3.71Å; R387-E415 PolarHBondContact NH1-OE1 3.36Å; R387-E415 IonicContact NH2-OE1 2.69Å
388K91.2Very high92.2Very high196 Ų19654 Ų5485%0.85227%0.27SS*.THydrogen-bonded Turntrans-48.2-35.2-176.6-174.9176.2179.3178.70114.4
389R94.8Very high92.1Very high78 Ų7853.8 Ų53.829%0.29426%0.26SS..THydrogen-bonded Turntrans-125.132.1-179.8-46.6179.8-142.4-1700.6113.6R387 I413 W414 E415R387-R389 PolarHBondContact O-N 3.36Å; R389-I413 WeakPolarHBondContact O-CA 3.44Å; R389-W414 HydrophobicContact CB-CD2 3.96Å; R389-W414 HydrophobicContact CB-CG 4.16Å; R389-W414 HydrophobicContact CB-CZ2 4.23Å; R389-W414 WeakPolarHBondContact CB-O 3.43Å; R389-W414 WeakPolarHBondContact CD-O 3.49Å; R389-W414 PolarHBondContact O-N 2.85Å; R389-W414 VanDerWaalsContact O-N 3.12Å; R389-E415 VanDerWaalsContact CD-OE2 3.25Å; R389-E415 WeakPolarHBondContact CD-OE2 3.49Å; R389-E415 IonicContact CZ-OE2 2.82Å; R389-E415 IonicContact NE-OE2 3.68Å; R389-E415 PolarHBondContact NE-OE2 3.19Å; R389-E415 IonicContact NH1-OE2 3.42Å; R389-E415 PolarHBondContact NH1-OE2 3.14Å; R389-E415 IonicContact NH2-OE2 2.85Å
390C94.8Very high92Very high0 Ų050.1 Ų50.10%024%0.235CC..EExtended strand (participates in β ladder)trans-147.4126177.2-178.70000110.3I386 R387 R412 I413I386-C390 HydrophobicContact CB-CB 4.32Å; I386-C390 PolarHBondContact N-O 3.49Å; R387-C390 HydrophobicContact CG-CB 3.3Å; R387-C390 PolarHBondContact N-O 3.3Å; R387-C390 VanDerWaalsContact N-O 3.11Å; R387-C390 PolarHBondContact O-N 3.41Å; C390-R412 WeakPolarHBondContact CA-O 3.49Å; C390-I413 HydrophobicContact CB-CG1 4.29Å
391D94.8Very high91.7Very high7 Ų751.6 Ų51.64%0.03724%0.241CC..EExtended strand (participates in β ladder)trans-143.6165175.465.223.9000112.5V382 K384 K385 L411 R412V382-D391 HydrophobicContact CG1-CB 3.84Å; K384-D391 CarbonylContact O-C 3.54Å; K384-D391 VanDerWaalsContact O-CA 3.23Å; K384-D391 WeakPolarHBondContact O-CA 3.34Å; K384-D391 WeakPolarHBondContact O-CB 3.5Å; K385-D391 HydrophobicContact CG-CB 4.38Å; D391-L411 CarbonylContact O-C 3.41Å; D391-L411 WeakPolarHBondContact O-CA 3.37Å; D391-R412 VanDerWaalsContact CG-NH2 3.34Å; D391-R412 PolarHBondContact N-O 3.14Å; D391-R412 PolarHBondContact O-N 2.86Å; D391-R412 IonicContact OD1-CZ 2.66Å; D391-R412 IonicContact OD1-NE 3.33Å; D391-R412 PolarHBondContact OD1-NE 3.23Å; D391-R412 IonicContact OD1-NH2 3.23Å; D391-R412 PolarHBondContact OD1-NH2 3.2Å; D391-R412 VanDerWaalsContact OD1-NH2 3.15Å; D391-R412 IonicContact OD2-CZ 2.92Å; D391-R412 IonicContact OD2-NE 2.69Å; D391-R412 IonicContact OD2-NH2 2.76Å; D391-R412 PolarHBondContact OD2-NH2 2.86Å
392I93.5Very high91.7Very high2 Ų249 Ų491%0.0124%0.235CC..EExtended strand (participates in β ladder)trans-99120.5166.3-58.1179000106.5T293 V382 L383 K384 I386 V410 V432 H434T293-I392 HydrophobicContact CG2-CD1 4.29Å; V382-I392 CarbonylContact C-O 3.54Å; L383-I392 HydrophobicContact CB-CB 4.37Å; L383-I392 HydrophobicContact CB-CG2 4.18Å; L383-I392 HydrophobicContact CD1-CG2 4.23Å; L383-I392 PolarHBondContact N-O 3.44Å; K384-I392 HydrophobicContact CB-CB 4.43Å; K384-I392 HydrophobicContact CB-CD1 4.44Å; K384-I392 PolarHBondContact N-O 3.11Å; K384-I392 PolarHBondContact O-N 3.23Å; I386-I392 HydrophobicContact CD1-CD1 4.2Å; I386-I392 HydrophobicContact CD1-CG1 3.9Å; I392-V410 CarbonylContact C-O 3.47Å; I392-V410 WeakPolarHBondContact CA-O 3.36Å; I392-V432 HydrophobicContact CG2-CG2 4.13Å; I392-H434 HydrophobicContact CD1-CB 4.27Å; I392-H434 HydrophobicContact CG2-CB 4.2Å
393F94.2Very high91.5Very high16 Ų1647.1 Ų47.17%0.0722%0.223CC..EExtended strand (participates in β ladder)trans-118.7131.6-177.2-177.4-115.5000109.8A380 R381 V382 Y395 V410 R412A380-F393 HydrophobicContact CB-CE2 4.06Å; A380-F393 HydrophobicContact CB-CZ 3.71Å; R381-F393 VanDerWaalsContact O-CD2 3.23Å; R381-F393 WeakPolarHBondContact O-CD2 3.4Å; V382-F393 HydrophobicContact CG2-CD2 3.91Å; V382-F393 HydrophobicContact CG2-CE2 4.47Å; F393-Y395 AromaticContact CD1-CD1 3.57Å; F393-Y395 HydrophobicContact CD1-CD1 3.57Å; F393-Y395 HydrophobicContact CD1-CE1 4.21Å; F393-Y395 HydrophobicContact CD1-CG 4.43Å; F393-Y395 AromaticContact CE1-CD1 3.48Å; F393-Y395 HydrophobicContact CE1-CD1 3.48Å; F393-Y395 VanDerWaalsContact CE1-CD1 3.48Å; F393-Y395 HydrophobicContact CE1-CE1 4.28Å; F393-Y395 AromaticContact CE1-CG 3.93Å; F393-Y395 HydrophobicContact CE1-CG 3.93Å; F393-V410 HydrophobicContact CB-CG2 4.33Å; F393-V410 HydrophobicContact CD1-CG2 4.45Å; F393-V410 PolarHBondContact N-O 2.78Å; F393-V410 PolarHBondContact O-N 3.19Å; F393-R412 HydrophobicContact CB-CG 4.03Å; F393-R412 VanDerWaalsContact CB-NE 3.27Å
394Q93.8Very high91.5Very high0 Ų045.9 Ų45.90%022%0.217CC..EExtended strand (participates in β ladder)trans-119.1131.3-179.9-165.1-162.87.500108.5A380 R381 L383 E407 F408 C409 M440A380-Q394 CarbonylContact C-O 3.52Å; A380-Q394 WeakPolarHBondContact CA-O 3.48Å; R381-Q394 HydrophobicContact CG-CB 4.33Å; R381-Q394 VanDerWaalsContact CZ-OE1 3.23Å; R381-Q394 PolarHBondContact N-O 3.03Å; R381-Q394 PolarHBondContact O-N 3.25Å; L383-Q394 HydrophobicContact CD1-CB 3.69Å; L383-Q394 HydrophobicContact CD1-CG 4.18Å; L383-Q394 HydrophobicContact CD2-CB 4.42Å; L383-Q394 HydrophobicContact CG-CB 3.82Å; Q394-E407 HydrophobicContact CG-CG 4.38Å; Q394-E407 PolarHBondContact NE2-OE1 3.17Å; Q394-F408 CarbonylContact C-O 3.59Å; Q394-F408 VanDerWaalsContact CA-O 3.23Å; Q394-F408 WeakPolarHBondContact CA-O 3.39Å; Q394-F408 WeakPolarHBondContact CG-O 3.27Å; Q394-C409 HydrophobicContact CG-CB 4.46Å; Q394-M440 HydrophobicContact CB-CE 3.83Å; Q394-M440 HydrophobicContact CG-CE 3.38Å
395Y94.2Very high91.6Very high9 Ų944.7 Ų44.74%0.03522%0.215CC..EExtended strand (participates in β ladder)trans-150.1161.6177.668.3-83.6000111.2R370 C379 F393 F408 V410R370-Y395 PolarHBondContact NH1-OH 2.95Å; C379-Y395 CarbonylContact O-C 3.59Å; C379-Y395 VanDerWaalsContact O-CA 3.23Å; C379-Y395 WeakPolarHBondContact O-CA 3.26Å; F393-Y395 AromaticContact CD1-CD1 3.57Å; F393-Y395 HydrophobicContact CD1-CD1 3.57Å; F393-Y395 HydrophobicContact CD1-CE1 4.21Å; F393-Y395 HydrophobicContact CD1-CG 4.43Å; F393-Y395 AromaticContact CE1-CD1 3.48Å; F393-Y395 HydrophobicContact CE1-CD1 3.48Å; F393-Y395 VanDerWaalsContact CE1-CD1 3.48Å; F393-Y395 HydrophobicContact CE1-CE1 4.28Å; F393-Y395 AromaticContact CE1-CG 3.93Å; F393-Y395 HydrophobicContact CE1-CG 3.93Å; Y395-F408 HydrophobicContact CD1-CB 3.74Å; Y395-F408 HydrophobicContact CD2-CB 4.22Å; Y395-F408 AromaticContact CD2-CD2 3.95Å; Y395-F408 HydrophobicContact CD2-CD2 3.95Å; Y395-F408 HydrophobicContact CD2-CG 4.28Å; Y395-F408 HydrophobicContact CE1-CB 3.34Å; Y395-F408 HydrophobicContact CE1-CD1 4.46Å; Y395-F408 AromaticContact CE1-CG 3.9Å; Y395-F408 HydrophobicContact CE1-CG 3.9Å; Y395-F408 HydrophobicContact CE2-CB 3.84Å; Y395-F408 HydrophobicContact CE2-CD1 4.27Å; Y395-F408 AromaticContact CE2-CD2 3.42Å; Y395-F408 HydrophobicContact CE2-CD2 3.42Å; Y395-F408 VanDerWaalsContact CE2-CD2 3.42Å; Y395-F408 HydrophobicContact CE2-CE2 4.02Å; Y395-F408 AromaticContact CE2-CG 3.58Å; Y395-F408 HydrophobicContact CE2-CG 3.58Å; Y395-F408 HydrophobicContact CG-CB 4.17Å; Y395-F408 AromaticContact CZ-CD1 3.8Å; Y395-F408 AromaticContact CZ-CD2 3.77Å; Y395-F408 AromaticContact CZ-CG 3.37Å; Y395-F408 PolarHBondContact N-O 2.95Å; Y395-F408 PolarHBondContact O-N 2.97Å; Y395-F408 WeakPolarHBondContact OH-CD1 3.42Å; Y395-V410 HydrophobicContact CE1-CG2 4.15Å
396T94.2Very high91.7Very high5 Ų536.6 Ų36.63%0.03118%0.18CC..EExtended strand (participates in β ladder)trans-117.3148.3178.766.80000112.1G378 C379 C405 T406 M440G378-T396 WeakPolarHBondContact CA-OG1 3.23Å; G378-T396 PolarHBondContact N-O 3.19Å; C379-T396 PolarHBondContact N-OG1 3.49Å; C379-T396 PolarHBondContact O-N 3.31Å; T396-C405 VanDerWaalsContact CB-SG 3.53Å; T396-T406 CarbonylContact C-O 3.59Å; T396-T406 VanDerWaalsContact CA-O 3.32Å; T396-T406 WeakPolarHBondContact CA-O 3.43Å; T396-M440 HydrophobicContact CG2-CB 3.44Å; T396-M440 VanDerWaalsContact CG2-CB 3.44Å; T396-M440 HydrophobicContact CG2-CE 4.16Å; T396-M440 WeakPolarHBondContact CG2-O 3.49Å
397F91.4Very high91.9Very high19 Ų1934.4 Ų34.48%0.08317%0.169CC..EExtended strand (participates in β ladder)trans-113.5114.7173.4-178.1-89.9000108.8N376 Q399 T406 F408N376-F397 HydrophobicContact CB-CD2 3.68Å; N376-F397 HydrophobicContact CB-CE1 4.36Å; N376-F397 HydrophobicContact CB-CE2 3.32Å; N376-F397 HydrophobicContact CB-CG 4.35Å; N376-F397 HydrophobicContact CB-CZ 3.69Å; N376-F397 CarbonylContact O-C 3.54Å; N376-F397 WeakPolarHBondContact O-CA 3.37Å; F397-Q399 HydrophobicContact CD1-CG 3.84Å; F397-Q399 HydrophobicContact CE1-CG 3.87Å; F397-T406 PolarHBondContact N-O 2.75Å; F397-T406 PolarHBondContact O-N 2.72Å; F397-F408 HydrophobicContact CB-CD2 4.44Å; F397-F408 HydrophobicContact CB-CE2 3.65Å
398V89.2Confident92.1Very high69 Ų6929.9 Ų29.942%0.41815%0.152SC..PPolyproline II helixtrans-80.5121.3179.4-176.80000108.6N376N376-V398 PolarHBondContact O-N 2.97Å
399Q87.6Confident92.3Very high27 Ų2720.5 Ų20.513%0.12611%0.111CC..PPolyproline II helixtrans-94.3170.9172.5-65.7-173.993.800110.1F397 P401 L403 P404 T406F397-Q399 HydrophobicContact CD1-CG 3.84Å; F397-Q399 HydrophobicContact CE1-CG 3.87Å; Q399-P401 WeakPolarHBondContact O-CD 3.28Å; Q399-L403 HydrophobicContact CB-CB 3.85Å; Q399-L403 HydrophobicContact CB-CD1 4.24Å; Q399-P404 PolarHBondContact NE2-O 2.84Å; Q399-T406 PolarHBondContact NE2-OG1 2.9Å; Q399-T406 VanDerWaalsContact NE2-OG1 3.13Å
400M89.4Confident92.2Very high3 Ų316.9 Ų16.92%0.01510%0.098CC..SBendtrans-49.7125.7168.3162.5-173.369.900110.6L79 Q84 Q186 A190 L403L79-M400 HydrophobicContact CB-CE 4.49Å; L79-M400 HydrophobicContact CB-SD 3.2Å; L79-M400 WeakPolarHBondContact CB-SD 3.1Å; L79-M400 HydrophobicContact CD2-SD 3.56Å; L79-M400 VanDerWaalsContact CD2-SD 3.56Å; L79-M400 HydrophobicContact CG-SD 4.02Å; Q84-M400 HydrophobicContact CG-CG 4.2Å; Q186-M400 HydrophobicContact CB-CE 4.08Å; Q186-M400 WeakPolarHBondContact O-CE 3.37Å; A190-M400 HydrophobicContact CB-CE 3.94Å; A190-M400 HydrophobicContact CB-SD 3.96Å; M400-L403 HydrophobicContact CB-CD1 4.34Å; M400-L403 HydrophobicContact CE-CD1 3.68Å; M400-L403 HydrophobicContact CE-CG 4.33Å; M400-L403 WeakPolarHBondContact O-CB 3.45Å; M400-L403 WeakPolarHBondContact O-CG 3.37Å; M400-L403 PolarHBondContact O-N 3.11Å
401P86.9Confident92.2Very high76 Ų7616.9 Ų16.949%0.49410%0.098SC..THydrogen-bonded Turntrans-59.5144.3173.8-23.834000112.3Q399Q399-P401 WeakPolarHBondContact O-CD 3.28Å
402P90.8Very high92.3Very high29 Ų2916.9 Ų16.919%0.18810%0.097CC..THydrogen-bonded Turncis-96.528.10.642.6-40.5000112Y189 H193Y189-P402 HydrophobicContact CD1-CG 4Å; Y189-P402 HydrophobicContact CE1-CB 4.42Å; Y189-P402 HydrophobicContact CE1-CG 3.63Å; Y189-P402 WeakPolarHBondContact CE1-O 3.13Å; Y189-P402 HydrophobicContact CE2-CG 4.34Å; H193-P402 HydrophobicContact CB-CG 3.64Å; H193-P402 VanDerWaalsContact CD2-CG 3.41Å; H193-P402 WeakPolarHBondContact CD2-CG 3.27Å
403L90.7Very high92.4Very high23 Ų2316.8 Ų16.812%0.1210%0.097CC..SBendtrans-58.8141.3176.6-69.3166000109.5Q186 Y189 Q399 M400Q186-L403 HydrophobicContact CB-CD1 4.02Å; Q186-L403 HydrophobicContact CB-CD2 4.43Å; Q186-L403 HydrophobicContact CG-CD1 3.88Å; Q186-L403 HydrophobicContact CG-CD2 4.06Å; Y189-L403 HydrophobicContact CD1-CD2 3.66Å; Y189-L403 HydrophobicContact CD1-CG 4.24Å; Y189-L403 HydrophobicContact CE1-CD2 4.28Å; Q399-L403 HydrophobicContact CB-CB 3.85Å; Q399-L403 HydrophobicContact CB-CD1 4.24Å; M400-L403 HydrophobicContact CB-CD1 4.34Å; M400-L403 HydrophobicContact CE-CD1 3.68Å; M400-L403 HydrophobicContact CE-CG 4.33Å; M400-L403 WeakPolarHBondContact O-CB 3.45Å; M400-L403 WeakPolarHBondContact O-CG 3.37Å; M400-L403 PolarHBondContact O-N 3.11Å
404P90.5Very high92.6Very high21 Ų2118 Ų1814%0.13610%0.101CC..PPolyproline II helixtrans-59.3145.6-179.819.9-29.7000112.1A4 Q399 D442 V443A4-P404 HydrophobicContact CB-CG 3.41Å; A4-P404 VanDerWaalsContact CB-CG 3.41Å; Q399-P404 PolarHBondContact NE2-O 2.84Å; P404-D442 WeakPolarHBondContact CA-OD2 3.32Å; P404-D442 HydrophobicContact CB-CB 3.58Å; P404-V443 HydrophobicContact CB-CG2 3.79Å; P404-V443 HydrophobicContact CG-CG2 3.74Å
405C91.9Very high92.7Very high28 Ų2819.5 Ų19.519%0.18911%0.108CC..PPolyproline II helixtrans-68.9133.1174-168.40000109.6T396 D442 V443T396-C405 VanDerWaalsContact CB-SG 3.53Å; C405-D442 PolarHBondContact N-OD2 3.49Å; C405-D442 PolarHBondContact O-N 3.08Å; C405-V443 PolarHBondContact O-N 3.38Å; C405-V443 VanDerWaalsContact O-N 3.11Å
406T93.5Very high92.9Very high2 Ų220.8 Ų20.81%0.01212%0.116CC..EExtended strand (participates in β ladder)trans-96.1120.9179.9-55.70000110.4T396 F397 Q399 F408 V443 A445T396-T406 CarbonylContact C-O 3.59Å; T396-T406 VanDerWaalsContact CA-O 3.32Å; T396-T406 WeakPolarHBondContact CA-O 3.43Å; F397-T406 PolarHBondContact N-O 2.75Å; F397-T406 PolarHBondContact O-N 2.72Å; Q399-T406 PolarHBondContact NE2-OG1 2.9Å; Q399-T406 VanDerWaalsContact NE2-OG1 3.13Å; T406-F408 HydrophobicContact CG2-CD2 4.5Å; T406-F408 HydrophobicContact CG2-CE2 3.78Å; T406-F408 HydrophobicContact CG2-CZ 4.06Å; T406-V443 CarbonylContact C-O 3.59Å; T406-V443 VanDerWaalsContact CA-O 3.28Å; T406-V443 WeakPolarHBondContact CA-O 3.49Å; T406-A445 HydrophobicContact CG2-CB 3.56Å
407E93.7Very high93Very high10 Ų1024.6 Ų24.65%0.04714%0.137CC..EExtended strand (participates in β ladder)trans-93.4142.2177-178.2-178.5-115.100111.8Q394 M440 V443 A445Q394-E407 HydrophobicContact CG-CG 4.38Å; Q394-E407 PolarHBondContact NE2-OE1 3.17Å; E407-M440 PolarHBondContact OE1-N 3.02Å; E407-V443 PolarHBondContact N-O 2.78Å; E407-A445 PolarHBondContact O-N 2.95Å
408F94.1Very high93.2Very high7 Ų725 Ų253%0.03114%0.139CC..EExtended strand (participates in β ladder)trans-121.9130.7171.7-62.6-101.3000108.5Q394 Y395 F397 T406 A445 V447 I470 L472Q394-F408 CarbonylContact C-O 3.59Å; Q394-F408 VanDerWaalsContact CA-O 3.23Å; Q394-F408 WeakPolarHBondContact CA-O 3.39Å; Q394-F408 WeakPolarHBondContact CG-O 3.27Å; Y395-F408 HydrophobicContact CD1-CB 3.74Å; Y395-F408 HydrophobicContact CD2-CB 4.22Å; Y395-F408 AromaticContact CD2-CD2 3.95Å; Y395-F408 HydrophobicContact CD2-CD2 3.95Å; Y395-F408 HydrophobicContact CD2-CG 4.28Å; Y395-F408 HydrophobicContact CE1-CB 3.34Å; Y395-F408 HydrophobicContact CE1-CD1 4.46Å; Y395-F408 AromaticContact CE1-CG 3.9Å; Y395-F408 HydrophobicContact CE1-CG 3.9Å; Y395-F408 HydrophobicContact CE2-CB 3.84Å; Y395-F408 HydrophobicContact CE2-CD1 4.27Å; Y395-F408 AromaticContact CE2-CD2 3.42Å; Y395-F408 HydrophobicContact CE2-CD2 3.42Å; Y395-F408 VanDerWaalsContact CE2-CD2 3.42Å; Y395-F408 HydrophobicContact CE2-CE2 4.02Å; Y395-F408 AromaticContact CE2-CG 3.58Å; Y395-F408 HydrophobicContact CE2-CG 3.58Å; Y395-F408 HydrophobicContact CG-CB 4.17Å; Y395-F408 AromaticContact CZ-CD1 3.8Å; Y395-F408 AromaticContact CZ-CD2 3.77Å; Y395-F408 AromaticContact CZ-CG 3.37Å; Y395-F408 PolarHBondContact N-O 2.95Å; Y395-F408 PolarHBondContact O-N 2.97Å; Y395-F408 WeakPolarHBondContact OH-CD1 3.42Å; F397-F408 HydrophobicContact CB-CD2 4.44Å; F397-F408 HydrophobicContact CB-CE2 3.65Å; T406-F408 HydrophobicContact CG2-CD2 4.5Å; T406-F408 HydrophobicContact CG2-CE2 3.78Å; T406-F408 HydrophobicContact CG2-CZ 4.06Å; F408-A445 HydrophobicContact CD1-CB 3.79Å; F408-A445 HydrophobicContact CE1-CB 3.46Å; F408-A445 VanDerWaalsContact CE1-CB 3.46Å; F408-A445 HydrophobicContact CE2-CB 4.25Å; F408-A445 HydrophobicContact CG-CB 4.34Å; F408-A445 HydrophobicContact CZ-CB 3.71Å; F408-V447 HydrophobicContact CD1-CG2 3.67Å; F408-V447 HydrophobicContact CE1-CG2 4.1Å; F408-I470 HydrophobicContact CE1-CG2 4.06Å; F408-L472 HydrophobicContact CE1-CD2 3.89Å; F408-L472 HydrophobicContact CZ-CD2 3.51Å
409C93.7Very high93.5Very high0 Ų026.6 Ų26.60%015%0.151CC..EExtended strand (participates in β ladder)trans-124.6109.8166.6-174.20000107.3Q394 S431 V432Q394-C409 HydrophobicContact CG-CB 4.46Å; C409-S431 WeakPolarHBondContact O-CA 3.36Å; C409-V432 PolarHBondContact O-N 3.12Å
410V94.4Very high93.8Very high1 Ų129.7 Ų29.71%0.00617%0.166CC..EExtended strand (participates in β ladder)trans-126.9141.2-172.1-64.10000110.6I392 F393 Y395 R412 E429 F430 V447I392-V410 CarbonylContact C-O 3.47Å; I392-V410 WeakPolarHBondContact CA-O 3.36Å; F393-V410 HydrophobicContact CB-CG2 4.33Å; F393-V410 HydrophobicContact CD1-CG2 4.45Å; F393-V410 PolarHBondContact N-O 2.78Å; F393-V410 PolarHBondContact O-N 3.19Å; Y395-V410 HydrophobicContact CE1-CG2 4.15Å; V410-R412 HydrophobicContact CG2-CG 3.93Å; V410-E429 HydrophobicContact CB-CB 4.46Å; V410-F430 CarbonylContact C-O 3.5Å; V410-F430 VanDerWaalsContact CA-O 3.25Å; V410-F430 WeakPolarHBondContact CA-O 3.5Å; V410-V447 HydrophobicContact CG1-CB 4Å; V410-V447 HydrophobicContact CG1-CG1 4.44Å; V410-V447 HydrophobicContact CG1-CG2 3.76Å
411L94.7Very high94.1Very high0 Ų029.6 Ų29.60%017%0.165CC..EExtended strand (participates in β ladder)trans-85.9128.6163-173.8154.2000107.4F300 I302 I386 D391 I413 E429 F430 V432F300-L411 HydrophobicContact CZ-CD1 4.26Å; I302-L411 HydrophobicContact CD1-CD1 4.04Å; I302-L411 HydrophobicContact CG1-CD1 4.17Å; I302-L411 HydrophobicContact CG2-CD1 4.37Å; I302-L411 HydrophobicContact CG2-CD2 4.27Å; I386-L411 HydrophobicContact CD1-CD1 3.69Å; I386-L411 HydrophobicContact CD1-CG 4.36Å; D391-L411 CarbonylContact O-C 3.41Å; D391-L411 WeakPolarHBondContact O-CA 3.37Å; L411-I413 HydrophobicContact CD2-CD1 3.6Å; L411-I413 HydrophobicContact CD2-CG1 3.38Å; L411-E429 VanDerWaalsContact O-CA 3.29Å; L411-E429 WeakPolarHBondContact O-CA 3.39Å; L411-F430 HydrophobicContact CB-CE2 4.18Å; L411-F430 HydrophobicContact CB-CZ 4.19Å; L411-F430 HydrophobicContact CD1-CZ 4.46Å; L411-F430 HydrophobicContact CD2-CE1 3.93Å; L411-F430 HydrophobicContact CD2-CZ 3.71Å; L411-F430 HydrophobicContact CG-CZ 4.35Å; L411-F430 PolarHBondContact N-O 2.89Å; L411-F430 PolarHBondContact O-N 3.02Å; L411-V432 HydrophobicContact CB-CG1 3.6Å; L411-V432 HydrophobicContact CB-CG2 4.26Å; L411-V432 HydrophobicContact CD1-CG1 4.3Å
412R96Very high94.5Very high7 Ų730.5 Ų30.53%0.02617%0.173CC..EExtended strand (participates in β ladder)trans-112.7131.5179.7-52.3-172.3-61.2179.71.2109.3L367 C390 D391 F393 V410 W414 L427 V428 E429L367-R412 PolarHBondContact O-NH1 3.29Å; C390-R412 WeakPolarHBondContact CA-O 3.49Å; D391-R412 VanDerWaalsContact CG-NH2 3.34Å; D391-R412 PolarHBondContact N-O 3.14Å; D391-R412 PolarHBondContact O-N 2.86Å; D391-R412 IonicContact OD1-CZ 2.66Å; D391-R412 IonicContact OD1-NE 3.33Å; D391-R412 PolarHBondContact OD1-NE 3.23Å; D391-R412 IonicContact OD1-NH2 3.23Å; D391-R412 PolarHBondContact OD1-NH2 3.2Å; D391-R412 VanDerWaalsContact OD1-NH2 3.15Å; D391-R412 IonicContact OD2-CZ 2.92Å; D391-R412 IonicContact OD2-NE 2.69Å; D391-R412 IonicContact OD2-NH2 2.76Å; D391-R412 PolarHBondContact OD2-NH2 2.86Å; F393-R412 HydrophobicContact CB-CG 4.03Å; F393-R412 VanDerWaalsContact CB-NE 3.27Å; V410-R412 HydrophobicContact CG2-CG 3.93Å; R412-W414 HydrophobicContact CB-CZ3 4.47Å; R412-L427 HydrophobicContact CB-CD1 4.01Å; R412-V428 CarbonylContact C-O 3.57Å; R412-V428 WeakPolarHBondContact CA-O 3.38Å; R412-E429 HydrophobicContact CB-CG 4.38Å; R412-E429 WeakPolarHBondContact CD-OE1 3.39Å; R412-E429 HydrophobicContact CG-CG 4.01Å
413I96.5Very high94.7Very high0 Ų030.6 Ų30.60%018%0.18CC..EExtended strand (participates in β ladder)trans-129.3129.7173.7-53.6174.7000107.9I302 Y306 R389 C390 L411 L427 V428I302-I413 HydrophobicContact CG2-CD1 3.58Å; Y306-I413 HydrophobicContact CD2-CB 3.66Å; Y306-I413 HydrophobicContact CD2-CD1 3.78Å; Y306-I413 HydrophobicContact CD2-CG1 4.31Å; Y306-I413 HydrophobicContact CD2-CG2 3.35Å; Y306-I413 HydrophobicContact CE2-CB 3.96Å; Y306-I413 HydrophobicContact CE2-CG2 3.46Å; Y306-I413 VanDerWaalsContact CE2-CG2 3.46Å; Y306-I413 HydrophobicContact CG-CD1 4.01Å; Y306-I413 HydrophobicContact CG-CG2 3.95Å; R389-I413 WeakPolarHBondContact O-CA 3.44Å; C390-I413 HydrophobicContact CB-CG1 4.29Å; L411-I413 HydrophobicContact CD2-CD1 3.6Å; L411-I413 HydrophobicContact CD2-CG1 3.38Å; I413-L427 CarbonylContact O-C 3.56Å; I413-L427 WeakPolarHBondContact O-CA 3.41Å; I413-V428 PolarHBondContact N-O 3.06Å; I413-V428 PolarHBondContact O-N 3.01Å
414W96.9Very high95Very high42 Ų4229.5 Ų29.516%0.15917%0.174CC..EExtended strand (participates in β ladder)trans-132.3152.2177.26496.7000112.1L363 L367 R389 R412 V426 L427L363-W414 HydrophobicContact CD1-CB 4.24Å; L363-W414 HydrophobicContact CD2-CB 4.32Å; L363-W414 HydrophobicContact CD2-CG 4.31Å; L367-W414 HydrophobicContact CD1-CB 4.39Å; L367-W414 HydrophobicContact CD1-CD2 3.62Å; L367-W414 HydrophobicContact CD1-CE3 4.15Å; L367-W414 HydrophobicContact CD1-CG 3.73Å; L367-W414 HydrophobicContact CD1-CZ2 4.29Å; L367-W414 HydrophobicContact CD2-CD2 4.24Å; L367-W414 HydrophobicContact CD2-CE3 3.94Å; L367-W414 HydrophobicContact CD2-CZ3 4.33Å; R389-W414 HydrophobicContact CB-CD2 3.96Å; R389-W414 HydrophobicContact CB-CG 4.16Å; R389-W414 HydrophobicContact CB-CZ2 4.23Å; R389-W414 WeakPolarHBondContact CB-O 3.43Å; R389-W414 WeakPolarHBondContact CD-O 3.49Å; R389-W414 PolarHBondContact O-N 2.85Å; R389-W414 VanDerWaalsContact O-N 3.12Å; R412-W414 HydrophobicContact CB-CZ3 4.47Å; W414-V426 CarbonylContact C-O 3.48Å; W414-V426 WeakPolarHBondContact CA-O 3.22Å; W414-V426 VanDerWaalsContact CB-O 3.26Å; W414-V426 WeakPolarHBondContact CB-O 3.21Å; W414-L427 HydrophobicContact CB-CB 4.27Å; W414-L427 HydrophobicContact CB-CD1 4.16Å
415E96.9Very high95.4Very high32 Ų3228.5 Ų28.515%0.1517%0.168CC..EExtended strand (participates in β ladder)trans-135.8148.4172.4-60.3-65.3162.600108.8Y306 R387 R389 M418 C425 V426Y306-E415 HydrophobicContact CE1-CG 4.29Å; Y306-E415 WeakPolarHBondContact OH-CG 3.4Å; R387-E415 IonicContact CZ-OE1 3.8Å; R387-E415 IonicContact NH1-OE1 3.71Å; R387-E415 PolarHBondContact NH1-OE1 3.36Å; R387-E415 IonicContact NH2-OE1 2.69Å; R389-E415 VanDerWaalsContact CD-OE2 3.25Å; R389-E415 WeakPolarHBondContact CD-OE2 3.49Å; R389-E415 IonicContact CZ-OE2 2.82Å; R389-E415 IonicContact NE-OE2 3.68Å; R389-E415 PolarHBondContact NE-OE2 3.19Å; R389-E415 IonicContact NH1-OE2 3.42Å; R389-E415 PolarHBondContact NH1-OE2 3.14Å; R389-E415 IonicContact NH2-OE2 2.85Å; E415-M418 HydrophobicContact CB-CG 4.13Å; E415-M418 HydrophobicContact CB-SD 3.62Å; E415-M418 HydrophobicContact CG-SD 4.45Å; E415-C425 WeakPolarHBondContact O-CA 3.14Å; E415-V426 HydrophobicContact CB-CG1 3.93Å; E415-V426 PolarHBondContact N-O 2.98Å; E415-V426 PolarHBondContact O-N 3.49Å
416T97.2Very high95.7Very high35 Ų3527.2 Ų27.222%0.21516%0.159CC..EExtended strand (participates in β ladder)trans-118.6161.6178.766.80000109.8L363 M418L363-T416 HydrophobicContact CD2-CG2 3.74Å; T416-M418 VanDerWaalsContact C-N 3.27Å; T416-M418 PolarHBondContact O-N 3.47Å
417D96.6Very high95.9Very high85 Ų8527.1 Ų27.146%0.45516%0.158SC..EExtended strand (participates in β ladder)trans62.434.9175.2-49.3-73.8000112.4K360 P419 G424K360-D417 VanDerWaalsContact CE-CG 3.48Å; K360-D417 WeakPolarHBondContact CE-OD1 3.41Å; K360-D417 VanDerWaalsContact CE-OD2 3.24Å; K360-D417 WeakPolarHBondContact CE-OD2 3.14Å; K360-D417 IonicContact NZ-OD1 3.5Å; K360-D417 PolarHBondContact NZ-OD1 3.17Å; K360-D417 IonicContact NZ-OD2 2.77Å; K360-D417 PolarHBondContact NZ-OD2 3.05Å; D417-P419 VanDerWaalsContact O-CD 3.31Å; D417-P419 WeakPolarHBondContact O-CD 3.06Å; D417-G424 PolarHBondContact N-O 3.47Å
418M95.7Very high96Very high27 Ų2726.6 Ų26.613%0.13316%0.156CC..EExtended strand (participates in β ladder)trans-74.6115.9-175.7-68.8-67-67.700111.1E415 T416 E420 F421 S422 G423 G424 V426E415-M418 HydrophobicContact CB-CG 4.13Å; E415-M418 HydrophobicContact CB-SD 3.62Å; E415-M418 HydrophobicContact CG-SD 4.45Å; T416-M418 VanDerWaalsContact C-N 3.27Å; T416-M418 PolarHBondContact O-N 3.47Å; M418-E420 VanDerWaalsContact C-N 3.28Å; M418-E420 PolarHBondContact O-N 3.26Å; M418-F421 HydrophobicContact CB-CB 4.39Å; M418-F421 HydrophobicContact CB-CD2 3.79Å; M418-F421 HydrophobicContact CG-CD2 4.33Å; M418-F421 CarbonylContact O-C 3.55Å; M418-F421 PolarHBondContact O-N 2.78Å; M418-F421 VanDerWaalsContact O-N 3.12Å; M418-S422 PolarHBondContact O-N 3.05Å; M418-G423 WeakPolarHBondContact O-CA 3.44Å; M418-G423 PolarHBondContact O-N 3.46Å; M418-G424 PolarHBondContact N-O 3.05Å; M418-G424 PolarHBondContact O-N 2.73Å; M418-V426 HydrophobicContact CG-CG1 4.18Å
419P95.4Very high96.1Very high104 Ų10426.6 Ų26.668%0.67516%0.156SC*.G310 helixtrans-59.3-36-179-25.335.5000113.8D417 F421 S422D417-P419 VanDerWaalsContact O-CD 3.31Å; D417-P419 WeakPolarHBondContact O-CD 3.06Å; P419-F421 PolarHBondContact O-N 3.46Å; P419-F421 VanDerWaalsContact O-N 3.15Å; P419-S422 PolarHBondContact O-N 3.13Å
420E95.1Very high96.1Very high92 Ų9227 Ų2743%0.4316%0.158SC..G310 helixtrans-64.5-19.4-179.8-57.386.7167.700113I314 M418I314-E420 HydrophobicContact CD1-CB 4.32Å; I314-E420 HydrophobicContact CD1-CG 4.03Å; I314-E420 HydrophobicContact CG1-CB 4.11Å; I314-E420 HydrophobicContact CG1-CG 4.32Å; I314-E420 HydrophobicContact CG2-CB 4.09Å; I314-E420 HydrophobicContact CG2-CG 4.09Å; M418-E420 VanDerWaalsContact C-N 3.28Å; M418-E420 PolarHBondContact O-N 3.26Å
421F95.6Very high96.1Very high0 Ų027.1 Ų27.10%016%0.159CC..G310 helixtrans-115.630.3176.6-57.1-56.8000111.2L313 I314 H317 M418 P419 G423 G424 V426 V453 E455L313-F421 HydrophobicContact CG-CZ 4.31Å; I314-F421 HydrophobicContact CB-CZ 4.48Å; I314-F421 HydrophobicContact CG1-CE1 4.42Å; I314-F421 HydrophobicContact CG1-CE2 4Å; I314-F421 HydrophobicContact CG1-CZ 3.63Å; H317-F421 HydrophobicContact CB-CD1 4.41Å; H317-F421 HydrophobicContact CB-CE1 3.72Å; H317-F421 AromaticContact CE1-CD1 3.99Å; H317-F421 AromaticContact CG-CD1 3.83Å; H317-F421 AromaticContact CG-CE1 3.64Å; H317-F421 AromaticContact ND1-CD1 3.6Å; H317-F421 AromaticContact ND1-CE1 3.74Å; M418-F421 HydrophobicContact CB-CB 4.39Å; M418-F421 HydrophobicContact CB-CD2 3.79Å; M418-F421 HydrophobicContact CG-CD2 4.33Å; M418-F421 CarbonylContact O-C 3.55Å; M418-F421 PolarHBondContact O-N 2.78Å; M418-F421 VanDerWaalsContact O-N 3.12Å; P419-F421 PolarHBondContact O-N 3.46Å; P419-F421 VanDerWaalsContact O-N 3.15Å; F421-G423 VanDerWaalsContact C-N 3.32Å; F421-G423 PolarHBondContact O-N 2.83Å; F421-G424 WeakPolarHBondContact O-CA 3.29Å; F421-G424 PolarHBondContact O-N 2.9Å; F421-V426 HydrophobicContact CD2-CB 4.46Å; F421-V426 HydrophobicContact CE2-CB 4.12Å; F421-V426 HydrophobicContact CE2-CG2 4.26Å; F421-V453 HydrophobicContact CD1-CG1 3.6Å; F421-V453 HydrophobicContact CE1-CG1 3.84Å; F421-V453 HydrophobicContact CE1-CG2 4.23Å; F421-V453 HydrophobicContact CG-CG1 4.02Å; F421-V453 HydrophobicContact CZ-CG1 4.43Å; F421-V453 HydrophobicContact CZ-CG2 4.24Å; F421-E455 HydrophobicContact CB-CG 4.19Å
422S94.7Very high95.9Very high95 Ų9527.1 Ų27.166%0.66416%0.159SC*.THydrogen-bonded Turntrans56.639.6178.8-520000113.9M418 P419 G424 P456M418-S422 PolarHBondContact O-N 3.05Å; P419-S422 PolarHBondContact O-N 3.13Å; S422-G424 VanDerWaalsContact C-N 3.32Å; S422-P456 WeakPolarHBondContact O-CG 3.4Å
423G95.1Very high95.3Very high32 Ų3229.9 Ų29.933%0.3317%0.174SC..THydrogen-bonded Turntrans80.313.3-174.300000113.8M418 F421M418-G423 WeakPolarHBondContact O-CA 3.44Å; M418-G423 PolarHBondContact O-N 3.46Å; F421-G423 VanDerWaalsContact C-N 3.32Å; F421-G423 PolarHBondContact O-N 2.83Å
424G97.5Very high94.5Very high0 Ų030.7 Ų30.70%018%0.178CC..EExtended strand (participates in β ladder)trans-70.8-171.1178.200000114.5D417 M418 F421 S422 I454D417-G424 PolarHBondContact N-O 3.47Å; M418-G424 PolarHBondContact N-O 3.05Å; M418-G424 PolarHBondContact O-N 2.73Å; F421-G424 WeakPolarHBondContact O-CA 3.29Å; F421-G424 PolarHBondContact O-N 2.9Å; S422-G424 VanDerWaalsContact C-N 3.32Å; G424-I454 CarbonylContact C-O 3.41Å; G424-I454 WeakPolarHBondContact CA-O 3.33Å
425C98.2Very high93.1Very high0 Ų036.4 Ų36.40%021%0.206CC..EExtended strand (participates in β ladder)trans-120.2151.8177.9-61.50000110.8P359 L363 E415 I454P359-C425 HydrophobicContact CB-CB 4.5Å; L363-C425 HydrophobicContact CB-CB 4.24Å; L363-C425 HydrophobicContact CD2-CB 3.99Å; E415-C425 WeakPolarHBondContact O-CA 3.14Å; C425-I454 HydrophobicContact CB-CB 4.21Å; C425-I454 HydrophobicContact CB-CD1 4.34Å; C425-I454 PolarHBondContact N-O 3.22Å; C425-I454 PolarHBondContact O-N 2.63Å
426V97.6Very high91.6Very high0 Ų036.1 Ų36.10%021%0.207CC..EExtended strand (participates in β ladder)trans-129.9142.8174.1690000109.9Y306 L313 W414 E415 M418 F421 V428 Y452Y306-V426 WeakPolarHBondContact OH-CG1 3.44Å; L313-V426 HydrophobicContact CD2-CG2 3.58Å; W414-V426 CarbonylContact C-O 3.48Å; W414-V426 WeakPolarHBondContact CA-O 3.22Å; W414-V426 VanDerWaalsContact CB-O 3.26Å; W414-V426 WeakPolarHBondContact CB-O 3.21Å; E415-V426 HydrophobicContact CB-CG1 3.93Å; E415-V426 PolarHBondContact N-O 2.98Å; E415-V426 PolarHBondContact O-N 3.49Å; M418-V426 HydrophobicContact CG-CG1 4.18Å; F421-V426 HydrophobicContact CD2-CB 4.46Å; F421-V426 HydrophobicContact CE2-CB 4.12Å; F421-V426 HydrophobicContact CE2-CG2 4.26Å; V426-V428 HydrophobicContact CG2-CG2 4.39Å; V426-Y452 WeakPolarHBondContact CA-O 3.26Å; V426-Y452 WeakPolarHBondContact CG2-O 3.12Å
427L97.7Very high90Very high0 Ų040.2 Ų40.20%025%0.245CC..EExtended strand (participates in β ladder)trans-132.1128.9169.7164.262.7000108.5L363 I366 L367 R412 I413 W414 E429 R451 Y452L363-L427 HydrophobicContact CD1-CB 3.91Å; L363-L427 HydrophobicContact CD1-CD2 4.48Å; I366-L427 HydrophobicContact CG2-CD2 3.7Å; L367-L427 HydrophobicContact CD2-CD1 3.89Å; L367-L427 HydrophobicContact CD2-CD2 3.86Å; L367-L427 HydrophobicContact CG-CD2 4.4Å; R412-L427 HydrophobicContact CB-CD1 4.01Å; I413-L427 CarbonylContact O-C 3.56Å; I413-L427 WeakPolarHBondContact O-CA 3.41Å; W414-L427 HydrophobicContact CB-CB 4.27Å; W414-L427 HydrophobicContact CB-CD1 4.16Å; L427-E429 HydrophobicContact CD1-CG 3.81Å; L427-E429 HydrophobicContact CD2-CG 4.27Å; L427-E429 HydrophobicContact CG-CG 3.9Å; L427-R451 CarbonylContact O-C 3.59Å; L427-R451 VanDerWaalsContact O-CA 3.24Å; L427-R451 WeakPolarHBondContact O-CA 3.37Å; L427-Y452 HydrophobicContact CB-CD2 4.3Å; L427-Y452 HydrophobicContact CD2-CD2 3.76Å; L427-Y452 HydrophobicContact CD2-CE2 4.21Å; L427-Y452 HydrophobicContact CG-CD2 4.05Å; L427-Y452 PolarHBondContact N-O 2.85Å; L427-Y452 PolarHBondContact O-N 2.81Å
428V96.7Very high89.1Confident0 Ų042.4 Ų42.40%025%0.252CS..EExtended strand (participates in β ladder)trans-118.5126.2175.8177.20000108.6Y306 C309 R412 I413 V426 F430 R451Y306-V428 HydrophobicContact CD2-CB 4.37Å; Y306-V428 HydrophobicContact CD2-CG2 4.33Å; Y306-V428 HydrophobicContact CE2-CB 4.38Å; Y306-V428 HydrophobicContact CE2-CG2 4.03Å; C309-V428 HydrophobicContact CB-CG1 3.77Å; C309-V428 HydrophobicContact CB-CG2 4.41Å; R412-V428 CarbonylContact C-O 3.57Å; R412-V428 WeakPolarHBondContact CA-O 3.38Å; I413-V428 PolarHBondContact N-O 3.06Å; I413-V428 PolarHBondContact O-N 3.01Å; V426-V428 HydrophobicContact CG2-CG2 4.39Å; V428-F430 HydrophobicContact CG1-CD1 4.22Å; V428-R451 HydrophobicContact CG1-CG 4.4Å; V428-R451 HydrophobicContact CG2-CG 4.45Å
429E96.1Very high88.4Confident7 Ų744.5 Ų44.53%0.03327%0.273CS..EExtended strand (participates in β ladder)trans-129.3139.8177.6-41.1173.1108.200110.9V410 L411 R412 L427 S450V410-E429 HydrophobicContact CB-CB 4.46Å; L411-E429 VanDerWaalsContact O-CA 3.29Å; L411-E429 WeakPolarHBondContact O-CA 3.39Å; R412-E429 HydrophobicContact CB-CG 4.38Å; R412-E429 WeakPolarHBondContact CD-OE1 3.39Å; R412-E429 HydrophobicContact CG-CG 4.01Å; L427-E429 HydrophobicContact CD1-CG 3.81Å; L427-E429 HydrophobicContact CD2-CG 4.27Å; L427-E429 HydrophobicContact CG-CG 3.9Å; E429-S450 WeakPolarHBondContact CA-O 3.29Å; E429-S450 PolarHBondContact N-O 2.96Å; E429-S450 PolarHBondContact O-N 2.99Å; E429-S450 WeakPolarHBondContact OE2-CB 3.43Å; E429-S450 PolarHBondContact OE2-OG 2.98Å
430F94.4Very high87.8Confident8 Ų841.7 Ų41.74%0.03525%0.252CS..EExtended strand (participates in β ladder)trans-153.3153.6174.155.4-88.7000110.5L291 F300 H305 V410 L411 V428 V432 V447L291-F430 HydrophobicContact CD1-CD2 3.9Å; L291-F430 HydrophobicContact CD1-CE2 3.6Å; L291-F430 HydrophobicContact CD1-CZ 4.44Å; F300-F430 HydrophobicContact CE2-CE2 4.01Å; F300-F430 HydrophobicContact CE2-CZ 4.01Å; F300-F430 AromaticContact CZ-CE2 3.73Å; F300-F430 HydrophobicContact CZ-CE2 3.73Å; F300-F430 HydrophobicContact CZ-CZ 4.06Å; H305-F430 AromaticContact CD2-CD1 3.9Å; H305-F430 AromaticContact CD2-CE1 3.39Å; H305-F430 WeakPolarHBondContact CD2-CE1 3.19Å; H305-F430 AromaticContact CD2-CE2 3.96Å; H305-F430 AromaticContact CD2-CZ 3.41Å; H305-F430 VanDerWaalsContact CD2-CZ 3.41Å; H305-F430 WeakPolarHBondContact CD2-CZ 3.48Å; H305-F430 AromaticContact NE2-CD1 3.84Å; H305-F430 AromaticContact NE2-CE1 3.83Å; H305-F430 AromaticContact NE2-CZ 3.97Å; V410-F430 CarbonylContact C-O 3.5Å; V410-F430 VanDerWaalsContact CA-O 3.25Å; V410-F430 WeakPolarHBondContact CA-O 3.5Å; L411-F430 HydrophobicContact CB-CE2 4.18Å; L411-F430 HydrophobicContact CB-CZ 4.19Å; L411-F430 HydrophobicContact CD1-CZ 4.46Å; L411-F430 HydrophobicContact CD2-CE1 3.93Å; L411-F430 HydrophobicContact CD2-CZ 3.71Å; L411-F430 HydrophobicContact CG-CZ 4.35Å; L411-F430 PolarHBondContact N-O 2.89Å; L411-F430 PolarHBondContact O-N 3.02Å; V428-F430 HydrophobicContact CG1-CD1 4.22Å; F430-V432 HydrophobicContact CD2-CG1 4.16Å; F430-V432 HydrophobicContact CE2-CG1 3.86Å; F430-V447 CarbonylContact C-O 3.5Å; F430-V447 WeakPolarHBondContact CA-O 3.42Å
431S93.3Very high87.3Confident4 Ų438 Ų383%0.02824%0.239CC..EExtended strand (participates in β ladder)trans-70.2134.7-178.7-820000112.1C409 N446 V447C409-S431 WeakPolarHBondContact O-CA 3.36Å; S431-N446 WeakPolarHBondContact CB-OD1 2.95Å; S431-V447 PolarHBondContact N-O 3.46Å; S431-V447 PolarHBondContact OG-N 2.78Å
432V90.8Very high86.9Confident0 Ų044 Ų440%027%0.271CS..EExtended strand (participates in β ladder)trans-116.6151172.3-69.70000110L291 T293 F300 I392 C409 L411 F430 H434L291-V432 HydrophobicContact CB-CG1 4.47Å; L291-V432 CarbonylContact O-C 3.55Å; L291-V432 WeakPolarHBondContact O-CA 3.17Å; L291-V432 WeakPolarHBondContact O-CB 3.27Å; T293-V432 HydrophobicContact CG2-CB 3.81Å; T293-V432 HydrophobicContact CG2-CG1 3.88Å; T293-V432 HydrophobicContact CG2-CG2 4.32Å; F300-V432 HydrophobicContact CE1-CG1 4.33Å; F300-V432 HydrophobicContact CZ-CG1 4.24Å; I392-V432 HydrophobicContact CG2-CG2 4.13Å; C409-V432 PolarHBondContact O-N 3.12Å; L411-V432 HydrophobicContact CB-CG1 3.6Å; L411-V432 HydrophobicContact CB-CG2 4.26Å; L411-V432 HydrophobicContact CD1-CG1 4.3Å; F430-V432 HydrophobicContact CD2-CG1 4.16Å; F430-V432 HydrophobicContact CE2-CG1 3.86Å; V432-H434 HydrophobicContact CG2-CB 4.06Å; V432-H434 PolarHBondContact O-N 3.15Å
433D84.1Confident86.8Confident65 Ų6539.8 Ų39.835%0.34824%0.241SC..EExtended strand (participates in β ladder)trans-83.694.3164.6-164.616.8000107.4R290 L291 T293R290-D433 HydrophobicContact CB-CB 4.18Å; L291-D433 PolarHBondContact O-N 2.89Å; T293-D433 PolarHBondContact N-O 3.33Å; T293-D433 PolarHBondContact OG1-O 3.15Å
434H79.5Confident86.6Confident16 Ų1641 Ų417%0.07424%0.238CC..  trans-13096.8172.9-167.369.4000104.7T293 I392 V432 P436T293-H434 WeakPolarHBondContact OG1-CB 3.26Å; T293-H434 PolarHBondContact OG1-ND1 3.39Å; I392-H434 HydrophobicContact CD1-CB 4.27Å; I392-H434 HydrophobicContact CG2-CB 4.2Å; V432-H434 HydrophobicContact CG2-CB 4.06Å; V432-H434 PolarHBondContact O-N 3.15Å; H434-P436 WeakPolarHBondContact O-CD 3.34Å
435Q67.1Low86.4Confident162 Ų16241 Ų4176%0.75724%0.238SC*.  trans-75.5111.1177.7-70.7-165.3000108
436P64.6Low86.2Confident27 Ų2741.5 Ų41.518%0.17524%0.241CC..  trans-68.5160.3170.215.8-2.9000108.9L383 H434 E438L383-P436 HydrophobicContact CD1-CB 4.03Å; L383-P436 HydrophobicContact CD1-CG 4.15Å; L383-P436 HydrophobicContact CD2-CB 4.15Å; H434-P436 WeakPolarHBondContact O-CD 3.34Å; P436-E438 PolarHBondContact O-N 3.28Å
437A64.6Low86.1Confident121 Ų12141.7 Ų41.7100%124%0.242SC*.SBendtrans-56.6-22.6172.500000113
438E77Confident85.9Confident131 Ų13143.5 Ų43.561%0.61225%0.25SC*.SBendtrans-140.6123.5-178.4-170.9-179.9-163.100111R381 P436R381-E438 PolarHBondContact NH2-O 2.92Å; P436-E438 PolarHBondContact O-N 3.28Å
439A80.7Confident85.8Confident70 Ų7043.7 Ų43.758%0.57925%0.252SS*.  trans-72134.8171.600000110.1
440M83.3Confident85.8Confident46 Ų4643.6 Ų43.623%0.22725%0.252CS..  trans-97.5-11.5179.6-60.7-169.2-53.700113.1C379 R381 Q394 T396 E407C379-M440 HydrophobicContact CB-SD 4.14Å; R381-M440 HydrophobicContact CG-CE 4.31Å; R381-M440 HydrophobicContact CG-SD 4.16Å; Q394-M440 HydrophobicContact CB-CE 3.83Å; Q394-M440 HydrophobicContact CG-CE 3.38Å; T396-M440 HydrophobicContact CG2-CB 3.44Å; T396-M440 VanDerWaalsContact CG2-CB 3.44Å; T396-M440 HydrophobicContact CG2-CE 4.16Å; T396-M440 WeakPolarHBondContact CG2-O 3.49Å; E407-M440 PolarHBondContact OE1-N 3.02Å
441G84.1Confident85.9Confident15 Ų1544.8 Ų44.816%0.15526%0.256CS..SBendtrans-144.9165.618000000113.1
442D88.9Confident86.2Confident125 Ų12544.9 Ų44.967%0.66826%0.256SS*.SBendtrans-85.1-22.5-173.6-41.6-79.8000112.8P404 C405P404-D442 WeakPolarHBondContact CA-OD2 3.32Å; P404-D442 HydrophobicContact CB-CB 3.58Å; C405-D442 PolarHBondContact N-OD2 3.49Å; C405-D442 PolarHBondContact O-N 3.08Å
443V91.4Very high86.5Confident7 Ų745 Ų454%0.04226%0.256CS..EExtended strand (participates in β ladder)trans-131123.5-175.21740000110.5A4 P404 C405 T406 E407 R473A4-V443 HydrophobicContact CB-CG2 4.39Å; P404-V443 HydrophobicContact CB-CG2 3.79Å; P404-V443 HydrophobicContact CG-CG2 3.74Å; C405-V443 PolarHBondContact O-N 3.38Å; C405-V443 VanDerWaalsContact O-N 3.11Å; T406-V443 CarbonylContact C-O 3.59Å; T406-V443 VanDerWaalsContact CA-O 3.28Å; T406-V443 WeakPolarHBondContact CA-O 3.49Å; E407-V443 PolarHBondContact N-O 2.78Å; V443-R473 HydrophobicContact CG1-CB 3.61Å; V443-R473 HydrophobicContact CG1-CG 3.73Å
444Q91.3Very high87.2Confident58 Ų5841.9 Ų41.927%0.27124%0.239SC..EExtended strand (participates in β ladder)trans-94.9104.9-177.3-155.4-168.522.300112R290 R473R290-Q444 PolarHBondContact NH2-O 3.48Å; Q444-R473 PolarHBondContact O-NE 2.99Å
445A93.6Very high88.1Confident0 Ų042 Ų420%024%0.24CC..  trans-64.2156.6175.200000112.2R290 T406 E407 F408 D471 L472R290-A445 PolarHBondContact NH1-O 2.93Å; T406-A445 HydrophobicContact CG2-CB 3.56Å; E407-A445 PolarHBondContact O-N 2.95Å; F408-A445 HydrophobicContact CD1-CB 3.79Å; F408-A445 HydrophobicContact CE1-CB 3.46Å; F408-A445 VanDerWaalsContact CE1-CB 3.46Å; F408-A445 HydrophobicContact CE2-CB 4.25Å; F408-A445 HydrophobicContact CG-CB 4.34Å; F408-A445 HydrophobicContact CZ-CB 3.71Å; A445-D471 CarbonylContact C-O 3.56Å; A445-D471 WeakPolarHBondContact CA-O 3.35Å; A445-L472 HydrophobicContact CB-CD2 4.49Å
446N93.4Very high89.5Confident10 Ų1037.2 Ų37.25%0.05322%0.223CC..EExtended strand (participates in β ladder)trans-118.8109.5176.8-164.40.6000111.1L288 S431 F448 I470 D471L288-N446 PolarHBondContact O-ND2 2.79Å; L288-N446 VanDerWaalsContact O-ND2 3.14Å; S431-N446 WeakPolarHBondContact CB-OD1 2.95Å; N446-F448 HydrophobicContact CB-CE1 4.36Å; N446-F448 HydrophobicContact CB-CZ 4.33Å; N446-F448 WeakPolarHBondContact ND2-CE1 3.32Å; N446-F448 PolarHBondContact O-N 2.89Å; N446-I470 CarbonylContact O-C 2.99Å; N446-I470 WeakPolarHBondContact O-CA 3.5Å; N446-D471 HydrophobicContact CB-CB 4.42Å; N446-D471 PolarHBondContact N-O 3.1Å; N446-D471 PolarHBondContact O-N 2.93Å
447V95.3Very high91Very high3 Ų337.2 Ų37.22%0.01823%0.225CC..EExtended strand (participates in β ladder)trans-89.898.4176.8-178.50000108F408 V410 F430 S431 I470F408-V447 HydrophobicContact CD1-CG2 3.67Å; F408-V447 HydrophobicContact CE1-CG2 4.1Å; V410-V447 HydrophobicContact CG1-CB 4Å; V410-V447 HydrophobicContact CG1-CG1 4.44Å; V410-V447 HydrophobicContact CG1-CG2 3.76Å; F430-V447 CarbonylContact C-O 3.5Å; F430-V447 WeakPolarHBondContact CA-O 3.42Å; S431-V447 PolarHBondContact N-O 3.46Å; S431-V447 PolarHBondContact OG-N 2.78Å; V447-I470 HydrophobicContact CB-CG1 4.5Å; V447-I470 HydrophobicContact CG1-CD1 4.42Å; V447-I470 HydrophobicContact CG1-CG1 4.17Å; V447-I470 HydrophobicContact CG2-CD1 4.29Å; V447-I470 HydrophobicContact CG2-CG1 4.29Å; V447-I470 HydrophobicContact CG2-CG2 4.01Å
448F93.2Very high92.3Very high38 Ų3833.4 Ų33.417%0.16720%0.198CC..EExtended strand (participates in β ladder)trans-71.6-36.9174.4-55.2-61.9000111.4L288 Y344 L346 N446 R469 D471L288-F448 HydrophobicContact CB-CD1 3.9Å; L288-F448 HydrophobicContact CB-CE1 3.29Å; L288-F448 HydrophobicContact CB-CZ 4.07Å; L288-F448 HydrophobicContact CD1-CD1 3.76Å; L288-F448 HydrophobicContact CD1-CE1 3.62Å; L288-F448 HydrophobicContact CD1-CE2 4.49Å; L288-F448 HydrophobicContact CD1-CG 4.27Å; L288-F448 HydrophobicContact CD1-CZ 4Å; L288-F448 HydrophobicContact CG-CD1 4.44Å; L288-F448 HydrophobicContact CG-CE1 4.1Å; Y344-F448 AromaticContact CD1-CE2 3.87Å; Y344-F448 HydrophobicContact CD1-CE2 3.87Å; Y344-F448 HydrophobicContact CD1-CZ 4.17Å; Y344-F448 HydrophobicContact CD2-CZ 4.24Å; Y344-F448 AromaticContact CE1-CE2 3.5Å; Y344-F448 HydrophobicContact CE1-CE2 3.5Å; Y344-F448 AromaticContact CE1-CZ 3.8Å; Y344-F448 HydrophobicContact CE1-CZ 3.8Å; Y344-F448 HydrophobicContact CE2-CE2 4.4Å; Y344-F448 AromaticContact CE2-CZ 3.84Å; Y344-F448 HydrophobicContact CE2-CZ 3.84Å; Y344-F448 HydrophobicContact CG-CZ 4.4Å; Y344-F448 AromaticContact CZ-CE2 3.81Å; Y344-F448 AromaticContact CZ-CZ 3.63Å; L346-F448 HydrophobicContact CD1-CE2 4.46Å; N446-F448 HydrophobicContact CB-CE1 4.36Å; N446-F448 HydrophobicContact CB-CZ 4.33Å; N446-F448 WeakPolarHBondContact ND2-CE1 3.32Å; N446-F448 PolarHBondContact O-N 2.89Å; F448-R469 HydrophobicContact CB-CB 4.4Å; F448-R469 HydrophobicContact CB-CG 4.35Å; F448-R469 WeakPolarHBondContact CB-O 3.24Å; F448-R469 HydrophobicContact CD2-CG 4.09Å; F448-R469 PolarHBondContact N-O 2.6Å; F448-D471 HydrophobicContact CE2-CB 3.92Å; F448-D471 HydrophobicContact CZ-CB 4.29Å
449A94.2Very high92.9Very high5 Ų538.8 Ų38.84%0.04121%0.213CC..EExtended strand (participates in β ladder)trans-155.2133.3172.100000109.9S468 R469A449-S468 CarbonylContact O-C 3.46Å; A449-S468 WeakPolarHBondContact O-CA 3.28Å; A449-R469 HydrophobicContact CB-CB 4.37Å; A449-R469 PolarHBondContact N-O 3.13Å; A449-R469 PolarHBondContact O-N 2.88Å
450S97.1Very high93.4Very high5 Ų537.9 Ų37.94%0.03521%0.211CC..EExtended strand (participates in β ladder)trans-136.5112.5160.1170.70000106.3E429 H466 I467E429-S450 WeakPolarHBondContact CA-O 3.29Å; E429-S450 PolarHBondContact N-O 2.96Å; E429-S450 PolarHBondContact O-N 2.99Å; E429-S450 WeakPolarHBondContact OE2-CB 3.43Å; E429-S450 PolarHBondContact OE2-OG 2.98Å; S450-H466 PolarHBondContact OG-NE2 3.34Å; S450-I467 CarbonylContact C-O 3.59Å; S450-I467 WeakPolarHBondContact CA-O 3.24Å
451R97.3Very high94Very high32 Ų3238.9 Ų38.912%0.12121%0.212CC..EExtended strand (participates in β ladder)trans-133.3125.8-169.6-57.2175.1-175.7166.2-1.6109.6C309 L313 L427 V428 H466 I467C309-R451 PolarHBondContact SG-NH2 2.79Å; L313-R451 HydrophobicContact CD2-CB 4.16Å; L427-R451 CarbonylContact O-C 3.59Å; L427-R451 VanDerWaalsContact O-CA 3.24Å; L427-R451 WeakPolarHBondContact O-CA 3.37Å; V428-R451 HydrophobicContact CG1-CG 4.4Å; V428-R451 HydrophobicContact CG2-CG 4.45Å; R451-H466 CarbonylContact O-C 3.56Å; R451-H466 WeakPolarHBondContact O-CA 3.31Å; R451-H466 PolarHBondContact O-CD2 2.93Å; R451-I467 HydrophobicContact CB-CB 4.36Å; R451-I467 PolarHBondContact N-O 2.78Å; R451-I467 PolarHBondContact O-N 3.02Å
452Y98.1Very high94.7Very high7 Ų738.1 Ų38.13%0.02720%0.204CC..EExtended strand (participates in β ladder)trans-110134.7176.9-60.7-95.3000110I366 V426 L427 L464 T465 H466 I495I366-Y452 HydrophobicContact CD1-CD1 3.83Å; I366-Y452 HydrophobicContact CD1-CE1 4.1Å; I366-Y452 HydrophobicContact CD1-CG 4.23Å; I366-Y452 HydrophobicContact CG2-CD2 4.44Å; I366-Y452 HydrophobicContact CG2-CE2 4.15Å; V426-Y452 WeakPolarHBondContact CA-O 3.26Å; V426-Y452 WeakPolarHBondContact CG2-O 3.12Å; L427-Y452 HydrophobicContact CB-CD2 4.3Å; L427-Y452 HydrophobicContact CD2-CD2 3.76Å; L427-Y452 HydrophobicContact CD2-CE2 4.21Å; L427-Y452 HydrophobicContact CG-CD2 4.05Å; L427-Y452 PolarHBondContact N-O 2.85Å; L427-Y452 PolarHBondContact O-N 2.81Å; Y452-L464 HydrophobicContact CD1-CD1 4.02Å; Y452-T465 CarbonylContact C-O 3.43Å; Y452-T465 VanDerWaalsContact CA-O 3.28Å; Y452-T465 WeakPolarHBondContact CA-O 3.32Å; Y452-H466 HydrophobicContact CD1-CB 3.84Å; Y452-H466 AromaticContact CD1-CD2 3.66Å; Y452-H466 AromaticContact CD1-CG 3.94Å; Y452-H466 AromaticContact CD2-CD2 3.91Å; Y452-H466 HydrophobicContact CE1-CB 3.75Å; Y452-H466 AromaticContact CE1-CD2 3.32Å; Y452-H466 WeakPolarHBondContact CE1-CD2 3.47Å; Y452-H466 AromaticContact CE1-CG 3.5Å; Y452-H466 AromaticContact CE1-NE2 3.84Å; Y452-H466 AromaticContact CE2-CD2 3.58Å; Y452-H466 AromaticContact CE2-NE2 3.6Å; Y452-H466 AromaticContact CG-CD2 3.96Å; Y452-H466 AromaticContact CZ-CD2 3.27Å; Y452-H466 AromaticContact CZ-CE1 3.86Å; Y452-H466 AromaticContact CZ-CG 3.83Å; Y452-H466 AromaticContact CZ-NE2 3.31Å; Y452-H466 VanDerWaalsContact CZ-NE2 3.31Å; Y452-H466 PolarHBondContact OH-CE1 3.04Å; Y452-H466 PolarHBondContact OH-NE2 2.96Å; Y452-I495 HydrophobicContact CE1-CD1 4.29Å
453V98.2Very high95.1Very high1 Ų137 Ų371%0.00619%0.19CC..EExtended strand (participates in β ladder)trans-118.6124.5168.3177.90000106.8L313 F421 E455 T465L313-V453 HydrophobicContact CD1-CG2 3.77Å; L313-V453 HydrophobicContact CD2-CG2 3.52Å; L313-V453 HydrophobicContact CG-CG2 3.65Å; F421-V453 HydrophobicContact CD1-CG1 3.6Å; F421-V453 HydrophobicContact CE1-CG1 3.84Å; F421-V453 HydrophobicContact CE1-CG2 4.23Å; F421-V453 HydrophobicContact CG-CG1 4.02Å; F421-V453 HydrophobicContact CZ-CG1 4.43Å; F421-V453 HydrophobicContact CZ-CG2 4.24Å; V453-E455 HydrophobicContact CG1-CG 3.77Å; V453-T465 PolarHBondContact N-O 3.47Å; V453-T465 PolarHBondContact O-N 3.03Å
454I98.4Very high95.5Very high0 Ų036.6 Ų36.60%019%0.188CC..EExtended strand (participates in β ladder)trans-126.7102.5-172.9-44.1174.5000107.8P359 V362 L363 I366 G424 C425 R463 L464P359-I454 HydrophobicContact CB-CB 4.29Å; P359-I454 HydrophobicContact CB-CG2 3.78Å; P359-I454 HydrophobicContact CG-CG2 4.45Å; V362-I454 HydrophobicContact CB-CD1 4.4Å; V362-I454 HydrophobicContact CB-CG2 3.86Å; V362-I454 HydrophobicContact CG1-CD1 4.13Å; V362-I454 HydrophobicContact CG1-CG2 3.97Å; V362-I454 HydrophobicContact CG2-CG2 4.47Å; L363-I454 HydrophobicContact CB-CD1 3.78Å; L363-I454 HydrophobicContact CD1-CD1 4.11Å; I366-I454 HydrophobicContact CD1-CD1 4.16Å; G424-I454 CarbonylContact C-O 3.41Å; G424-I454 WeakPolarHBondContact CA-O 3.33Å; C425-I454 HydrophobicContact CB-CB 4.21Å; C425-I454 HydrophobicContact CB-CD1 4.34Å; C425-I454 PolarHBondContact N-O 3.22Å; C425-I454 PolarHBondContact O-N 2.63Å; I454-R463 WeakPolarHBondContact CA-O 3.32Å; I454-L464 HydrophobicContact CD1-CD1 4.29Å; I454-L464 HydrophobicContact CG1-CD1 3.75Å
455E97.4Very high95.8Very high18 Ų1834 Ų348%0.08418%0.176CC..EExtended strand (participates in β ladder)trans-110.3147.2-171.2-59.8170.878.800110.8H317 F421 V453 A457 S462 R463H317-E455 IonicContact CD2-OE1 3.94Å; H317-E455 IonicContact CD2-OE2 3.91Å; H317-E455 IonicContact CE1-OE1 3.41Å; H317-E455 PolarHBondContact CE1-OE1 3.25Å; H317-E455 IonicContact NE2-OE1 2.93Å; H317-E455 PolarHBondContact NE2-OE1 2.98Å; H317-E455 IonicContact NE2-OE2 3.57Å; F421-E455 HydrophobicContact CB-CG 4.19Å; V453-E455 HydrophobicContact CG1-CG 3.77Å; E455-A457 PolarHBondContact O-N 3.45Å; E455-S462 CarbonylContact O-C 3.57Å; E455-S462 WeakPolarHBondContact O-CA 3.21Å; E455-R463 HydrophobicContact CB-CB 4.43Å; E455-R463 PolarHBondContact N-O 3.31Å; E455-R463 PolarHBondContact O-N 3.03Å
456P97.7Very high96Very high62 Ų6234.1 Ų34.140%0.40318%0.177SC..EExtended strand (participates in β ladder)trans-59.5129.6169.1-20.432000111.6P359 S422P359-P456 HydrophobicContact CG-CG 3.98Å; S422-P456 WeakPolarHBondContact O-CG 3.4Å
457A95.4Very high96.2Very high27 Ų2733.7 Ų33.722%0.22318%0.175CC..  trans-111.620.5175.200000112.7E455 R461 R463E455-A457 PolarHBondContact O-N 3.45Å; A457-R461 HydrophobicContact CB-CB 4.24Å; A457-R461 PolarHBondContact N-O 2.65Å; A457-R461 PolarHBondContact O-NH2 3.39Å; A457-R461 VanDerWaalsContact O-NH2 3.09Å; A457-R463 HydrophobicContact CB-CB 4.42Å
458G91.4Very high96.3Very high42 Ų4233.6 Ų33.643%0.43317%0.174SC..SBendtrans74.8157.8-177.700000114.1G460 R461G458-G460 VanDerWaalsContact C-N 3.27Å; G458-G460 PolarHBondContact O-N 2.71Å; G458-R461 WeakPolarHBondContact O-CB 3.25Å; G458-R461 PolarHBondContact O-N 3.33Å; G458-R461 VanDerWaalsContact O-N 3.07Å; G458-R461 PolarHBondContact O-NE 2.86Å
459R90.4Very high96.5Very high244 Ų24432.5 Ų32.592%0.92117%0.169SC*.THydrogen-bonded Turntrans53.638.2179.3-54.9-177.6-179-164.7-0.4113.9R461R459-R461 VanDerWaalsContact C-N 3.26Å; R459-R461 PolarHBondContact O-N 3.49Å
460G91.2Very high96.5Very high51 Ų5133 Ų3353%0.52617%0.17SC..THydrogen-bonded Turntrans73.311.6-179.600000115.2A357 G458A357-G460 CarbonylContact C-O 3.49Å; A357-G460 WeakPolarHBondContact CA-O 3.24Å; G458-G460 VanDerWaalsContact C-N 3.27Å; G458-G460 PolarHBondContact O-N 2.71Å
461R96.9Very high96.4Very high66 Ų6632.8 Ų32.825%0.24917%0.169CC..  trans-96.3163178.5-55.7-179.6-63.4149.28111.6E354 V355 A357 A457 G458 R459E354-R461 IonicContact OE2-CZ 3.41Å; E354-R461 IonicContact OE2-NH1 2.72Å; E354-R461 PolarHBondContact OE2-NH1 3.39Å; V355-R461 WeakPolarHBondContact O-CA 3.25Å; A357-R461 CarbonylContact O-C 3.58Å; A457-R461 HydrophobicContact CB-CB 4.24Å; A457-R461 PolarHBondContact N-O 2.65Å; A457-R461 PolarHBondContact O-NH2 3.39Å; A457-R461 VanDerWaalsContact O-NH2 3.09Å; G458-R461 WeakPolarHBondContact O-CB 3.25Å; G458-R461 PolarHBondContact O-N 3.33Å; G458-R461 VanDerWaalsContact O-N 3.07Å; G458-R461 PolarHBondContact O-NE 2.86Å; R459-R461 VanDerWaalsContact C-N 3.26Å; R459-R461 PolarHBondContact O-N 3.49Å
462S98.3Very high96.3Very high0 Ų032 Ų320%017%0.167CC..EExtended strand (participates in β ladder)trans-124.9145.2174.5-58.30000112.5E354 V355 A357 P359 E455E354-S462 CarbonylContact C-O 3.6Å; E354-S462 WeakPolarHBondContact CA-O 3.11Å; V355-S462 PolarHBondContact N-O 3.33Å; V355-S462 PolarHBondContact O-N 2.89Å; A357-S462 VanDerWaalsContact O-CB 3.31Å; A357-S462 WeakPolarHBondContact O-CB 3.37Å; A357-S462 PolarHBondContact O-N 2.92Å; A357-S462 VanDerWaalsContact O-N 3.13Å; A357-S462 PolarHBondContact O-OG 3.05Å; P359-S462 WeakPolarHBondContact CA-OG 3.36Å; P359-S462 VanDerWaalsContact CD-OG 3.23Å; P359-S462 WeakPolarHBondContact CD-OG 3.49Å; P359-S462 WeakPolarHBondContact CG-OG 3.38Å; E455-S462 CarbonylContact O-C 3.57Å; E455-S462 WeakPolarHBondContact O-CA 3.21Å
463R97.9Very high96.1Very high100 Ų10033.4 Ų33.438%0.37717%0.172SC..EExtended strand (participates in β ladder)trans-88.1117.2158.5176.8175.3-69.4173.8-1.1107.7W352 I454 E455 A457W352-R463 HydrophobicContact CE3-CG 3.9Å; W352-R463 HydrophobicContact CZ3-CG 4.34Å; I454-R463 WeakPolarHBondContact CA-O 3.32Å; E455-R463 HydrophobicContact CB-CB 4.43Å; E455-R463 PolarHBondContact N-O 3.31Å; E455-R463 PolarHBondContact O-N 3.03Å; A457-R463 HydrophobicContact CB-CB 4.42Å
464L98.5Very high95.9Very high0 Ų034 Ų340%018%0.179CC..EExtended strand (participates in β ladder)trans-101.6118.217717859.8000108.6W352 T353 V355 V362 I366 Y452 I454 I492 I495W352-L464 CarbonylContact C-O 3.57Å; W352-L464 WeakPolarHBondContact CA-O 3.36Å; W352-L464 WeakPolarHBondContact CB-O 3.5Å; T353-L464 PolarHBondContact N-O 3.16Å; T353-L464 PolarHBondContact O-N 3.41Å; V355-L464 HydrophobicContact CG2-CB 3.77Å; V355-L464 HydrophobicContact CG2-CD2 3.95Å; V362-L464 HydrophobicContact CG1-CD1 4.04Å; V362-L464 HydrophobicContact CG1-CD2 4.07Å; V362-L464 HydrophobicContact CG1-CG 4.48Å; I366-L464 HydrophobicContact CD1-CD1 3.95Å; Y452-L464 HydrophobicContact CD1-CD1 4.02Å; I454-L464 HydrophobicContact CD1-CD1 4.29Å; I454-L464 HydrophobicContact CG1-CD1 3.75Å; L464-I492 HydrophobicContact CB-CD1 4.43Å; L464-I492 HydrophobicContact CD2-CD1 4.23Å; L464-I492 HydrophobicContact CD2-CG1 3.51Å; L464-I492 HydrophobicContact CG-CD1 3.86Å; L464-I492 HydrophobicContact CG-CG1 3.72Å; L464-I492 VanDerWaalsContact O-CD1 3.32Å; L464-I492 WeakPolarHBondContact O-CD1 3.47Å; L464-I495 HydrophobicContact CD2-CB 4.12Å; L464-I495 HydrophobicContact CD2-CD1 4.3Å; L464-I495 HydrophobicContact CD2-CG2 3.66Å
465T98.2Very high95.7Very high2 Ų234.6 Ų34.61%0.01218%0.181CC..EExtended strand (participates in β ladder)trans-115.5130.8173.3-57.90000109.3W321 R350 C351 W352 Y452 V453W321-T465 HydrophobicContact CH2-CG2 4.23Å; W321-T465 HydrophobicContact CZ2-CG2 4.02Å; R350-T465 HydrophobicContact CG-CG2 3.75Å; C351-T465 CarbonylContact O-C 3.26Å; C351-T465 WeakPolarHBondContact O-CA 3.41Å; W352-T465 HydrophobicContact CB-CG2 4.3Å; Y452-T465 CarbonylContact C-O 3.43Å; Y452-T465 VanDerWaalsContact CA-O 3.28Å; Y452-T465 WeakPolarHBondContact CA-O 3.32Å; V453-T465 PolarHBondContact N-O 3.47Å; V453-T465 PolarHBondContact O-N 3.03Å
466H98.3Very high95.6Very high4 Ų434 Ų342%0.01918%0.179CC..EExtended strand (participates in β ladder)trans-120.5123.9174.8-179.8-142.1000110.5R350 C351 S450 R451 Y452 I492R350-H466 CarbonylContact C-O 3.57Å; R350-H466 VanDerWaalsContact CA-O 3.29Å; R350-H466 WeakPolarHBondContact CA-O 3.44Å; C351-H466 PolarHBondContact N-O 2.9Å; C351-H466 PolarHBondContact O-N 2.82Å; S450-H466 PolarHBondContact OG-NE2 3.34Å; R451-H466 CarbonylContact O-C 3.56Å; R451-H466 WeakPolarHBondContact O-CA 3.31Å; R451-H466 PolarHBondContact O-CD2 2.93Å; Y452-H466 HydrophobicContact CD1-CB 3.84Å; Y452-H466 AromaticContact CD1-CD2 3.66Å; Y452-H466 AromaticContact CD1-CG 3.94Å; Y452-H466 AromaticContact CD2-CD2 3.91Å; Y452-H466 HydrophobicContact CE1-CB 3.75Å; Y452-H466 AromaticContact CE1-CD2 3.32Å; Y452-H466 WeakPolarHBondContact CE1-CD2 3.47Å; Y452-H466 AromaticContact CE1-CG 3.5Å; Y452-H466 AromaticContact CE1-NE2 3.84Å; Y452-H466 AromaticContact CE2-CD2 3.58Å; Y452-H466 AromaticContact CE2-NE2 3.6Å; Y452-H466 AromaticContact CG-CD2 3.96Å; Y452-H466 AromaticContact CZ-CD2 3.27Å; Y452-H466 AromaticContact CZ-CE1 3.86Å; Y452-H466 AromaticContact CZ-CG 3.83Å; Y452-H466 AromaticContact CZ-NE2 3.31Å; Y452-H466 VanDerWaalsContact CZ-NE2 3.31Å; Y452-H466 PolarHBondContact OH-CE1 3.04Å; Y452-H466 PolarHBondContact OH-NE2 2.96Å; H466-I492 HydrophobicContact CB-CD1 4.03Å
467I97.6Very high95.5Very high1 Ų136.4 Ų36.41%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-107121.2171.6-60.4174.5000108.8L313 W321 W324 W349 R350 S450 R451L313-I467 HydrophobicContact CD1-CD1 3.54Å; W321-I467 HydrophobicContact CE3-CD1 4.46Å; W321-I467 HydrophobicContact CH2-CD1 4.12Å; W321-I467 HydrophobicContact CZ3-CD1 3.6Å; W324-I467 HydrophobicContact CH2-CD1 4.47Å; W324-I467 HydrophobicContact CH2-CG1 4.4Å; W324-I467 HydrophobicContact CH2-CG2 3.79Å; W324-I467 HydrophobicContact CZ2-CD1 4.12Å; W324-I467 HydrophobicContact CZ2-CG2 4.3Å; W349-I467 CarbonylContact O-C 3.57Å; W349-I467 VanDerWaalsContact O-CA 3.24Å; W349-I467 WeakPolarHBondContact O-CA 3.41Å; R350-I467 HydrophobicContact CB-CG1 4.24Å; R350-I467 HydrophobicContact CG-CG1 4.03Å; S450-I467 CarbonylContact C-O 3.59Å; S450-I467 WeakPolarHBondContact CA-O 3.24Å; R451-I467 HydrophobicContact CB-CB 4.36Å; R451-I467 PolarHBondContact N-O 2.78Å; R451-I467 PolarHBondContact O-N 3.02Å
468S97.3Very high95.5Very high0 Ų037.9 Ų37.90%020%0.195CC..EExtended strand (participates in β ladder)trans-129.1142.6-175.369.90000112.5W349 A449 F484 C488W349-S468 PolarHBondContact N-O 3.05Å; W349-S468 PolarHBondContact O-N 3.36Å; A449-S468 CarbonylContact O-C 3.46Å; A449-S468 WeakPolarHBondContact O-CA 3.28Å; S468-F484 WeakPolarHBondContact OG-CE1 3.43Å; S468-C488 PolarHBondContact OG-SG 3.06Å
469R95.9Very high95.6Very high15 Ų1536.5 Ų36.56%0.05718%0.177CC..EExtended strand (participates in β ladder)trans-149.898.2169.8-168.1-170.6-173.8-157.54108.1A340 D342 Y344 L346 M348 F448 A449A340-R469 VanDerWaalsContact CB-NH2 3.3Å; D342-R469 IonicContact OD1-CZ 3Å; D342-R469 IonicContact OD1-NH1 3.86Å; D342-R469 PolarHBondContact OD1-NH1 2.95Å; D342-R469 IonicContact OD1-NH2 3.15Å; D342-R469 PolarHBondContact OD1-NH2 2.88Å; D342-R469 IonicContact OD2-CZ 2.75Å; D342-R469 IonicContact OD2-NH1 3.38Å; D342-R469 PolarHBondContact OD2-NH1 2.81Å; D342-R469 IonicContact OD2-NH2 3.72Å; D342-R469 PolarHBondContact OD2-NH2 2.87Å; Y344-R469 PolarHBondContact O-NH2 2.82Å; L346-R469 HydrophobicContact CB-CG 4.39Å; L346-R469 PolarHBondContact O-NE 3.46Å; L346-R469 PolarHBondContact O-NH2 2.71Å; M348-R469 HydrophobicContact CG-CB 4.31Å; M348-R469 HydrophobicContact CG-CG 4.48Å; F448-R469 HydrophobicContact CB-CB 4.4Å; F448-R469 HydrophobicContact CB-CG 4.35Å; F448-R469 WeakPolarHBondContact CB-O 3.24Å; F448-R469 HydrophobicContact CD2-CG 4.09Å; F448-R469 PolarHBondContact N-O 2.6Å; A449-R469 HydrophobicContact CB-CB 4.37Å; A449-R469 PolarHBondContact N-O 3.13Å; A449-R469 PolarHBondContact O-N 2.88Å
470I95.7Very high95.9Very high15 Ų1525.1 Ų25.18%0.07713%0.134CC..EExtended strand (participates in β ladder)trans-131.9130.1-169.9-52.2179.5000109L346 F408 N446 V447 L472 Y480 F484L346-I470 WeakPolarHBondContact CD1-O 3.31Å; F408-I470 HydrophobicContact CE1-CG2 4.06Å; N446-I470 CarbonylContact O-C 2.99Å; N446-I470 WeakPolarHBondContact O-CA 3.5Å; V447-I470 HydrophobicContact CB-CG1 4.5Å; V447-I470 HydrophobicContact CG1-CD1 4.42Å; V447-I470 HydrophobicContact CG1-CG1 4.17Å; V447-I470 HydrophobicContact CG2-CD1 4.29Å; V447-I470 HydrophobicContact CG2-CG1 4.29Å; V447-I470 HydrophobicContact CG2-CG2 4.01Å; I470-L472 HydrophobicContact CG2-CD2 3.69Å; I470-L472 HydrophobicContact CG2-CG 4.14Å; I470-Y480 WeakPolarHBondContact O-CE1 3.36Å; I470-F484 HydrophobicContact CB-CE2 4.18Å; I470-F484 HydrophobicContact CB-CZ 3.79Å; I470-F484 HydrophobicContact CD1-CZ 4.33Å; I470-F484 HydrophobicContact CG1-CZ 4.07Å
471D95.1Very high96Very high1 Ų125.7 Ų25.71%0.00513%0.128CC..EExtended strand (participates in β ladder)trans-94.199162.9-175.98.8000109.5S7 V8 Y344 L346 A445 N446 F448 R473 Y480S7-D471 WeakPolarHBondContact CA-OD2 3.23Å; S7-D471 VanDerWaalsContact CB-OD2 3.24Å; S7-D471 WeakPolarHBondContact CB-OD2 3.46Å; V8-D471 PolarHBondContact N-OD2 2.8Å; Y344-D471 PolarHBondContact OH-OD2 3.41Å; L346-D471 HydrophobicContact CD1-CB 4.1Å; A445-D471 CarbonylContact C-O 3.56Å; A445-D471 WeakPolarHBondContact CA-O 3.35Å; N446-D471 HydrophobicContact CB-CB 4.42Å; N446-D471 PolarHBondContact N-O 3.1Å; N446-D471 PolarHBondContact O-N 2.93Å; F448-D471 HydrophobicContact CE2-CB 3.92Å; F448-D471 HydrophobicContact CZ-CB 4.29Å; D471-R473 PolarHBondContact O-N 3.12Å; D471-R473 WeakPolarHBondContact OD1-CA 3.41Å; D471-R473 PolarHBondContact OD1-N 2.95Å; D471-Y480 WeakPolarHBondContact CA-OH 3.5Å; D471-Y480 PolarHBondContact OD1-OH 2.65Å
472L94.2Very high95.7Very high17 Ų1727.2 Ų27.29%0.08914%0.14CC..  trans-69.2-6.4174.6-60.7174.7000113.7F408 A445 I470 W479 Y480 F484 M487F408-L472 HydrophobicContact CE1-CD2 3.89Å; F408-L472 HydrophobicContact CZ-CD2 3.51Å; A445-L472 HydrophobicContact CB-CD2 4.49Å; I470-L472 HydrophobicContact CG2-CD2 3.69Å; I470-L472 HydrophobicContact CG2-CG 4.14Å; L472-W479 HydrophobicContact CD1-CH2 4.36Å; L472-W479 HydrophobicContact CD1-CZ3 4.38Å; L472-Y480 PolarHBondContact N-OH 2.85Å; L472-F484 HydrophobicContact CD1-CD2 4.1Å; L472-F484 HydrophobicContact CD1-CE2 3.92Å; L472-F484 HydrophobicContact CG-CE2 4.34Å; L472-M487 HydrophobicContact CD1-SD 4Å
473R93.9Very high95.4Very high35 Ų3527.7 Ų27.713%0.13214%0.143CC..SBendtrans63.7162.7-172.3-43.6-58.7-174.6144.1-3.5113.3A4 L6 V443 Q444 D471 R475A4-R473 CarbonylContact O-C 3.57Å; A4-R473 WeakPolarHBondContact O-CB 3.17Å; L6-R473 CarbonylContact O-C 3.52Å; L6-R473 VanDerWaalsContact O-CA 3.28Å; L6-R473 WeakPolarHBondContact O-CA 3.35Å; V443-R473 HydrophobicContact CG1-CB 3.61Å; V443-R473 HydrophobicContact CG1-CG 3.73Å; Q444-R473 PolarHBondContact O-NE 2.99Å; D471-R473 PolarHBondContact O-N 3.12Å; D471-R473 WeakPolarHBondContact OD1-CA 3.41Å; D471-R473 PolarHBondContact OD1-N 2.95Å; R473-R475 WeakPolarHBondContact O-CG 3.23Å; R473-R475 PolarHBondContact O-N 2.85Å; R473-R475 VanDerWaalsContact O-N 3.1Å
474G94.1Very high95.2Very high14 Ų1423.1 Ų23.114%0.14413%0.126CC..SBendtrans70.97.9173.300000115.7I3 A4 L6 M11I3-G474 WeakPolarHBondContact O-CA 3.13Å; A4-G474 VanDerWaalsContact O-CA 3.28Å; A4-G474 WeakPolarHBondContact O-CA 3.4Å; A4-G474 PolarHBondContact O-N 2.89Å; A4-G474 VanDerWaalsContact O-N 3.1Å; L6-G474 PolarHBondContact O-N 3.06Å; M11-G474 VanDerWaalsContact CE-C 3.48Å; M11-G474 WeakPolarHBondContact CE-O 3.15Å
475R94.9Very high95.1Very high12 Ų1223.1 Ų23.15%0.04513%0.126CC..  trans-130.4143-172-62.4177.7-169.6172.25.3111.6D182 R473 W479 Y480D182-R475 VanDerWaalsContact OD1-CA 3.31Å; D182-R475 WeakPolarHBondContact OD1-CA 3.42Å; R473-R475 WeakPolarHBondContact O-CG 3.23Å; R473-R475 PolarHBondContact O-N 2.85Å; R473-R475 VanDerWaalsContact O-N 3.1Å; R475-W479 HydrophobicContact CB-CB 4.31Å; R475-W479 HydrophobicContact CB-CD2 4.09Å; R475-W479 HydrophobicContact CB-CE3 3.93Å; R475-W479 HydrophobicContact CB-CG 4.22Å; R475-W479 VanDerWaalsContact CD-CD2 3.49Å; R475-W479 HydrophobicContact CG-CD2 4.12Å; R475-W479 HydrophobicContact CG-CE3 4.18Å; R475-W479 HydrophobicContact CG-CG 4.41Å; R475-Y480 HydrophobicContact CB-CD2 4.4Å; R475-Y480 HydrophobicContact CB-CE2 3.73Å
476S95.7Very high94.8Very high7 Ų723.2 Ų23.25%0.04913%0.126CC..  trans-79.6160.2178.679.30000113R15 D182 A478 W479 Y480R15-S476 VanDerWaalsContact CZ-CB 3.5Å; R15-S476 PolarHBondContact NH1-OG 2.84Å; R15-S476 VanDerWaalsContact NH1-OG 3.17Å; D182-S476 PolarHBondContact OD1-N 2.99Å; D182-S476 VanDerWaalsContact OD2-CB 3.29Å; D182-S476 WeakPolarHBondContact OD2-CB 3.42Å; D182-S476 PolarHBondContact OD2-OG 3.39Å; S476-A478 PolarHBondContact O-N 2.78Å; S476-A478 PolarHBondContact OG-N 2.82Å; S476-W479 WeakPolarHBondContact O-CB 3.24Å; S476-W479 PolarHBondContact O-N 2.69Å; S476-W479 PolarHBondContact OG-N 2.83Å; S476-Y480 VanDerWaalsContact O-CD2 3.25Å; S476-Y480 WeakPolarHBondContact O-CD2 3.1Å; S476-Y480 PolarHBondContact O-N 2.83Å
477K94.9Very high94.6Very high111 Ų11123.7 Ų23.748%0.48313%0.129SC..Hα-helixtrans-55.2-34.6173-174.8-178.6-178.3170.20112.7V8 P345 Y480 T481V8-K477 HydrophobicContact CG1-CB 3.91Å; P345-K477 HydrophobicContact CB-CD 4.07Å; P345-K477 VanDerWaalsContact O-CE 3.22Å; P345-K477 WeakPolarHBondContact O-CE 3.38Å; K477-Y480 PolarHBondContact O-N 2.82Å; K477-T481 PolarHBondContact O-N 2.79Å; K477-T481 VanDerWaalsContact O-N 3.08Å; K477-T481 PolarHBondContact O-OG1 2.99Å
478A94.4Very high94.5Very high58 Ų5823.7 Ų23.748%0.47913%0.128SC..Hα-helixtrans-63.4-43.9177.600000110.8S476 Y480 T481 L482S476-A478 PolarHBondContact O-N 2.78Å; S476-A478 PolarHBondContact OG-N 2.82Å; A478-Y480 PolarHBondContact O-N 3.41Å; A478-T481 WeakPolarHBondContact O-CB 3.12Å; A478-T481 PolarHBondContact O-N 2.92Å; A478-T481 VanDerWaalsContact O-N 3.14Å; A478-L482 PolarHBondContact O-N 3.4Å; A478-L482 VanDerWaalsContact O-N 3.14Å
479W95.3Very high94.4Very high14 Ų1423.7 Ų23.75%0.05313%0.128CC..Hα-helixtrans-58.1-46.6175-176.492.2000112D182 E183 L472 R475 S476 T481 L482 N483 F484 M487D182-W479 HydrophobicContact CB-CB 4.02Å; D182-W479 HydrophobicContact CB-CG 4.06Å; E183-W479 PolarHBondContact OE1-NE1 3.07Å; L472-W479 HydrophobicContact CD1-CH2 4.36Å; L472-W479 HydrophobicContact CD1-CZ3 4.38Å; R475-W479 HydrophobicContact CB-CB 4.31Å; R475-W479 HydrophobicContact CB-CD2 4.09Å; R475-W479 HydrophobicContact CB-CE3 3.93Å; R475-W479 HydrophobicContact CB-CG 4.22Å; R475-W479 VanDerWaalsContact CD-CD2 3.49Å; R475-W479 HydrophobicContact CG-CD2 4.12Å; R475-W479 HydrophobicContact CG-CE3 4.18Å; R475-W479 HydrophobicContact CG-CG 4.41Å; S476-W479 WeakPolarHBondContact O-CB 3.24Å; S476-W479 PolarHBondContact O-N 2.69Å; S476-W479 PolarHBondContact OG-N 2.83Å; W479-T481 PolarHBondContact O-N 2.89Å; W479-L482 PolarHBondContact O-N 2.95Å; W479-N483 HydrophobicContact CD2-CB 4.06Å; W479-N483 HydrophobicContact CH2-CB 4.11Å; W479-N483 HydrophobicContact CZ2-CB 3.61Å; W479-N483 PolarHBondContact NE1-ND2 2.88Å; W479-N483 WeakPolarHBondContact O-CB 3.44Å; W479-N483 PolarHBondContact O-N 3.49Å; W479-N483 PolarHBondContact O-ND2 3.05Å; W479-F484 HydrophobicContact CH2-CB 4.47Å; W479-F484 HydrophobicContact CH2-CD2 4.37Å; W479-F484 HydrophobicContact CZ3-CB 4Å; W479-F484 HydrophobicContact CZ3-CD2 4.02Å; W479-F484 HydrophobicContact CZ3-CG 4.5Å; W479-M487 HydrophobicContact CH2-CE 3.95Å; W479-M487 HydrophobicContact CH2-SD 4Å; W479-M487 HydrophobicContact CZ2-CE 4.09Å
480Y95.4Very high94.2Very high4 Ų424.2 Ų24.22%0.01613%0.13CC..Iπ-helixtrans-62.2-35.2177.9-76.6-84.6000112.7V8 L346 W349 I470 D471 L472 R475 S476 K477 A478 L482 F484V8-Y480 HydrophobicContact CG2-CD2 3.79Å; V8-Y480 HydrophobicContact CG2-CE2 3.29Å; L346-Y480 HydrophobicContact CD1-CD1 4.31Å; L346-Y480 HydrophobicContact CD1-CE1 4.18Å; L346-Y480 HydrophobicContact CD2-CD1 3.86Å; L346-Y480 HydrophobicContact CD2-CD2 3.63Å; L346-Y480 HydrophobicContact CD2-CE1 4.43Å; L346-Y480 HydrophobicContact CD2-CE2 4.24Å; L346-Y480 HydrophobicContact CD2-CG 3.42Å; L346-Y480 VanDerWaalsContact CD2-CG 3.42Å; W349-Y480 WeakPolarHBondContact CZ2-O 2.99Å; I470-Y480 WeakPolarHBondContact O-CE1 3.36Å; D471-Y480 WeakPolarHBondContact CA-OH 3.5Å; D471-Y480 PolarHBondContact OD1-OH 2.65Å; L472-Y480 PolarHBondContact N-OH 2.85Å; R475-Y480 HydrophobicContact CB-CD2 4.4Å; R475-Y480 HydrophobicContact CB-CE2 3.73Å; S476-Y480 VanDerWaalsContact O-CD2 3.25Å; S476-Y480 WeakPolarHBondContact O-CD2 3.1Å; S476-Y480 PolarHBondContact O-N 2.83Å; K477-Y480 PolarHBondContact O-N 2.82Å; A478-Y480 PolarHBondContact O-N 3.41Å; Y480-L482 VanDerWaalsContact C-N 3.31Å; Y480-L482 PolarHBondContact O-N 2.92Å; Y480-F484 HydrophobicContact CD1-CB 3.85Å; Y480-F484 HydrophobicContact CD1-CD1 4.49Å; Y480-F484 AromaticContact CD1-CD2 3.81Å; Y480-F484 HydrophobicContact CD1-CD2 3.81Å; Y480-F484 AromaticContact CD1-CG 3.8Å; Y480-F484 HydrophobicContact CD1-CG 3.8Å; Y480-F484 AromaticContact CE1-CD2 3.91Å; Y480-F484 HydrophobicContact CE1-CD2 3.91Å; Y480-F484 HydrophobicContact CE1-CE2 4.29Å; Y480-F484 HydrophobicContact CE1-CG 4.36Å; Y480-F484 VanDerWaalsContact O-CB 3.28Å; Y480-F484 WeakPolarHBondContact O-CB 3.35Å; Y480-F484 PolarHBondContact O-N 3.05Å
481T93.2Very high94.2Very high63 Ų6324.8 Ų24.839%0.38713%0.133SC..Iπ-helixtrans-66.8-35179.2-55.80000111.8W349 K477 A478 W479W349-T481 WeakPolarHBondContact CH2-O 3.44Å; K477-T481 PolarHBondContact O-N 2.79Å; K477-T481 VanDerWaalsContact O-N 3.08Å; K477-T481 PolarHBondContact O-OG1 2.99Å; A478-T481 WeakPolarHBondContact O-CB 3.12Å; A478-T481 PolarHBondContact O-N 2.92Å; A478-T481 VanDerWaalsContact O-N 3.14Å; W479-T481 PolarHBondContact O-N 2.89Å
482L90.5Very high94.2Very high98 Ų9824.8 Ų24.851%0.51313%0.133SC..Iπ-helixtrans-94.4-37.4-174.1-66.2173.6000113.5A478 W479 Y480A478-L482 PolarHBondContact O-N 3.4Å; A478-L482 VanDerWaalsContact O-N 3.14Å; W479-L482 PolarHBondContact O-N 2.95Å; Y480-L482 VanDerWaalsContact C-N 3.31Å; Y480-L482 PolarHBondContact O-N 2.92Å
483N92.2Very high94.2Very high10 Ų1024.1 Ų24.15%0.05313%0.13CC..Iπ-helixtrans-115.3-24.3-164.1-61.9-60.4000114.4E183 W479 M487E183-N483 PolarHBondContact OE1-ND2 2.82Å; W479-N483 HydrophobicContact CD2-CB 4.06Å; W479-N483 HydrophobicContact CH2-CB 4.11Å; W479-N483 HydrophobicContact CZ2-CB 3.61Å; W479-N483 PolarHBondContact NE1-ND2 2.88Å; W479-N483 WeakPolarHBondContact O-CB 3.44Å; W479-N483 PolarHBondContact O-N 3.49Å; W479-N483 PolarHBondContact O-ND2 3.05Å; N483-M487 VanDerWaalsContact O-CB 3.27Å; N483-M487 WeakPolarHBondContact O-CB 3.47Å; N483-M487 PolarHBondContact O-N 3.41Å
484F94.8Very high94.3Very high5 Ų524.3 Ų24.32%0.02213%0.132CC..Iπ-helixtrans-71.4-40.4-172.5-169.9-101.9000112.5W349 S468 I470 L472 W479 Y480 M487 C488W349-F484 HydrophobicContact CB-CD1 4.36Å; W349-F484 HydrophobicContact CB-CE1 4.41Å; W349-F484 AromaticContact CD1-CD1 3.31Å; W349-F484 AromaticContact CD1-CE1 3.73Å; W349-F484 HydrophobicContact CD2-CD1 4.25Å; W349-F484 AromaticContact CG-CD1 3.73Å; W349-F484 HydrophobicContact CG-CD1 3.73Å; W349-F484 HydrophobicContact CG-CE1 4.16Å; W349-F484 AromaticContact NE1-CD1 3.55Å; S468-F484 WeakPolarHBondContact OG-CE1 3.43Å; I470-F484 HydrophobicContact CB-CE2 4.18Å; I470-F484 HydrophobicContact CB-CZ 3.79Å; I470-F484 HydrophobicContact CD1-CZ 4.33Å; I470-F484 HydrophobicContact CG1-CZ 4.07Å; L472-F484 HydrophobicContact CD1-CD2 4.1Å; L472-F484 HydrophobicContact CD1-CE2 3.92Å; L472-F484 HydrophobicContact CG-CE2 4.34Å; W479-F484 HydrophobicContact CH2-CB 4.47Å; W479-F484 HydrophobicContact CH2-CD2 4.37Å; W479-F484 HydrophobicContact CZ3-CB 4Å; W479-F484 HydrophobicContact CZ3-CD2 4.02Å; W479-F484 HydrophobicContact CZ3-CG 4.5Å; Y480-F484 HydrophobicContact CD1-CB 3.85Å; Y480-F484 HydrophobicContact CD1-CD1 4.49Å; Y480-F484 AromaticContact CD1-CD2 3.81Å; Y480-F484 HydrophobicContact CD1-CD2 3.81Å; Y480-F484 AromaticContact CD1-CG 3.8Å; Y480-F484 HydrophobicContact CD1-CG 3.8Å; Y480-F484 AromaticContact CE1-CD2 3.91Å; Y480-F484 HydrophobicContact CE1-CD2 3.91Å; Y480-F484 HydrophobicContact CE1-CE2 4.29Å; Y480-F484 HydrophobicContact CE1-CG 4.36Å; Y480-F484 VanDerWaalsContact O-CB 3.28Å; Y480-F484 WeakPolarHBondContact O-CB 3.35Å; Y480-F484 PolarHBondContact O-N 3.05Å; F484-M487 HydrophobicContact CD2-SD 4.47Å; F484-M487 WeakPolarHBondContact O-CB 3.3Å; F484-M487 PolarHBondContact O-N 2.74Å; F484-C488 PolarHBondContact O-N 3.04Å; F484-C488 PolarHBondContact O-SG 3.45Å; F484-C488 VanDerWaalsContact O-SG 3.36Å
485G94.7Very high94.5Very high0 Ų023.7 Ų23.70%013%0.126CC..Hα-helixtrans-57-56.4172.200000113.6M487 C488 A489G485-M487 PolarHBondContact O-N 2.69Å; G485-C488 PolarHBondContact O-N 2.79Å; G485-C488 VanDerWaalsContact O-N 3.11Å; G485-A489 PolarHBondContact O-N 2.88Å
486P93.1Very high94.6Very high3 Ų325.2 Ų25.22%0.01913%0.131CC..Hα-helixtrans-56.3-34.2173.5-27.634.5000113.9K73 Y330 A489 R490K73-P486 HydrophobicContact CD-CG 4.36Å; K73-P486 HydrophobicContact CG-CB 3.81Å; K73-P486 HydrophobicContact CG-CG 4.03Å; Y330-P486 HydrophobicContact CD1-CB 4.4Å; Y330-P486 HydrophobicContact CD1-CG 4.39Å; Y330-P486 HydrophobicContact CD2-CB 4.39Å; Y330-P486 HydrophobicContact CD2-CG 4.15Å; Y330-P486 HydrophobicContact CE1-CG 4.22Å; Y330-P486 HydrophobicContact CE2-CG 3.94Å; Y330-P486 HydrophobicContact CG-CB 4.25Å; Y330-P486 HydrophobicContact CG-CG 4.35Å; P486-A489 PolarHBondContact O-N 2.82Å; P486-R490 WeakPolarHBondContact O-CB 3.31Å; P486-R490 PolarHBondContact O-N 3.33Å
487M93.4Very high94.5Very high15 Ų1527.7 Ų27.77%0.07414%0.144CC..Hα-helixtrans-63.9-46.5173.6174.6178-83.100111.9L472 W479 N483 F484 G485 A489 R490 Q491L472-M487 HydrophobicContact CD1-SD 4Å; W479-M487 HydrophobicContact CH2-CE 3.95Å; W479-M487 HydrophobicContact CH2-SD 4Å; W479-M487 HydrophobicContact CZ2-CE 4.09Å; N483-M487 VanDerWaalsContact O-CB 3.27Å; N483-M487 WeakPolarHBondContact O-CB 3.47Å; N483-M487 PolarHBondContact O-N 3.41Å; F484-M487 HydrophobicContact CD2-SD 4.47Å; F484-M487 WeakPolarHBondContact O-CB 3.3Å; F484-M487 PolarHBondContact O-N 2.74Å; G485-M487 PolarHBondContact O-N 2.69Å; M487-A489 VanDerWaalsContact C-N 3.35Å; M487-R490 WeakPolarHBondContact O-CB 3.28Å; M487-R490 PolarHBondContact O-N 3.27Å; M487-Q491 PolarHBondContact O-N 2.78Å; M487-Q491 VanDerWaalsContact O-N 3.1Å
488C95.2Very high94.6Very high0 Ų022.9 Ų22.90%012%0.124CC..Hα-helixtrans-65.2-38176.1-660000112.3C351 S468 F484 G485 R490 Q491 I492C351-C488 WeakPolarHBondContact SG-CB 3.45Å; S468-C488 PolarHBondContact OG-SG 3.06Å; F484-C488 PolarHBondContact O-N 3.04Å; F484-C488 PolarHBondContact O-SG 3.45Å; F484-C488 VanDerWaalsContact O-SG 3.36Å; G485-C488 PolarHBondContact O-N 2.79Å; G485-C488 VanDerWaalsContact O-N 3.11Å; C488-R490 VanDerWaalsContact C-N 3.32Å; C488-R490 PolarHBondContact O-N 3.34Å; C488-Q491 PolarHBondContact O-N 3.24Å; C488-I492 PolarHBondContact O-N 2.87Å
489A95.6Very high94.6Very high0 Ų021.2 Ų21.20%011%0.106CC..Hα-helixtrans-62.6-38.4174.700000112.5Y331 A333 V335 G485 P486 M487 I492 A493Y331-A489 HydrophobicContact CD2-CB 4.46Å; A333-A489 HydrophobicContact CB-CB 4.13Å; V335-A489 HydrophobicContact CG2-CB 3.59Å; G485-A489 PolarHBondContact O-N 2.88Å; P486-A489 PolarHBondContact O-N 2.82Å; M487-A489 VanDerWaalsContact C-N 3.35Å; A489-I492 WeakPolarHBondContact O-CG2 3.38Å; A489-A493 VanDerWaalsContact O-CB 3.26Å; A489-A493 WeakPolarHBondContact O-CB 3.41Å; A489-A493 PolarHBondContact O-N 2.93Å
490R92.9Very high94.2Very high26 Ų2625.1 Ų25.110%0.09813%0.128CC..Hα-helixtrans-64.2-43.8173.1-169.1-150.7-42.7-82.3-16.7111.7A72 K73 C74 Y75 Y331 P486 M487 C488 I492 A493 Q494A72-R490 PolarHBondContact O-NH2 2.85Å; K73-R490 PolarHBondContact O-NH2 3.35Å; C74-R490 PolarHBondContact O-NH1 3.46Å; Y75-R490 VanDerWaalsContact CA-NH1 3.33Å; Y331-R490 HydrophobicContact CD2-CB 3.91Å; Y331-R490 HydrophobicContact CD2-CG 4.43Å; Y331-R490 HydrophobicContact CE2-CB 3.79Å; Y331-R490 HydrophobicContact CE2-CG 4.21Å; Y331-R490 PolarHBondContact OH-NH1 3.4Å; P486-R490 WeakPolarHBondContact O-CB 3.31Å; P486-R490 PolarHBondContact O-N 3.33Å; M487-R490 WeakPolarHBondContact O-CB 3.28Å; M487-R490 PolarHBondContact O-N 3.27Å; C488-R490 VanDerWaalsContact C-N 3.32Å; C488-R490 PolarHBondContact O-N 3.34Å; R490-I492 PolarHBondContact O-N 3.07Å; R490-A493 PolarHBondContact O-N 3.09Å; R490-Q494 WeakPolarHBondContact O-CB 3.33Å; R490-Q494 VanDerWaalsContact O-CG 3.26Å; R490-Q494 WeakPolarHBondContact O-CG 3.35Å; R490-Q494 PolarHBondContact O-N 2.9Å
491Q94.1Very high92.9Very high28 Ų2831.2 Ų31.213%0.13116%0.16CC..Hα-helixtrans-61.9-44.6179.3-73.3177.3-27.900111.9M487 C488 A493 Q494 I495M487-Q491 PolarHBondContact O-N 2.78Å; M487-Q491 VanDerWaalsContact O-N 3.1Å; C488-Q491 PolarHBondContact O-N 3.24Å; Q491-A493 VanDerWaalsContact C-N 3.34Å; Q491-Q494 PolarHBondContact O-N 3.41Å; Q491-I495 WeakPolarHBondContact O-CG1 3.43Å; Q491-I495 PolarHBondContact O-N 2.93Å
492I95.9Very high91Very high1 Ų135.4 Ų35.41%0.00517%0.173CC..Hα-helixtrans-69.1-34.1178.6-150.1177.7000111.9A333 C351 T353 L464 H466 C488 A489 R490 I495 R496A333-I492 HydrophobicContact CB-CG2 3.43Å; A333-I492 VanDerWaalsContact CB-CG2 3.43Å; C351-I492 HydrophobicContact CB-CD1 4.29Å; C351-I492 HydrophobicContact CB-CG2 4.15Å; C351-I492 WeakPolarHBondContact O-CD1 3.34Å; T353-I492 HydrophobicContact CG2-CD1 4.45Å; T353-I492 HydrophobicContact CG2-CG1 4.13Å; T353-I492 HydrophobicContact CG2-CG2 4.19Å; L464-I492 HydrophobicContact CB-CD1 4.43Å; L464-I492 HydrophobicContact CD2-CD1 4.23Å; L464-I492 HydrophobicContact CD2-CG1 3.51Å; L464-I492 HydrophobicContact CG-CD1 3.86Å; L464-I492 HydrophobicContact CG-CG1 3.72Å; L464-I492 VanDerWaalsContact O-CD1 3.32Å; L464-I492 WeakPolarHBondContact O-CD1 3.47Å; H466-I492 HydrophobicContact CB-CD1 4.03Å; C488-I492 PolarHBondContact O-N 2.87Å; A489-I492 WeakPolarHBondContact O-CG2 3.38Å; R490-I492 PolarHBondContact O-N 3.07Å; I492-I495 PolarHBondContact O-N 3.32Å; I492-R496 PolarHBondContact O-N 3.22Å
493A95.1Very high88.5Confident3 Ų337 Ų373%0.02519%0.186CC..Hα-helixtrans-65.3-41.9171.600000111.6Y331 A489 R490 Q491 I495 R496 D497Y331-A493 WeakPolarHBondContact O-CB 3.42Å; A489-A493 VanDerWaalsContact O-CB 3.26Å; A489-A493 WeakPolarHBondContact O-CB 3.41Å; A489-A493 PolarHBondContact O-N 2.93Å; R490-A493 PolarHBondContact O-N 3.09Å; Q491-A493 VanDerWaalsContact C-N 3.34Å; A493-I495 VanDerWaalsContact C-N 3.33Å; A493-I495 PolarHBondContact O-N 3.38Å; A493-R496 CarbonylContact O-C 3.45Å; A493-R496 WeakPolarHBondContact O-CA 3.46Å; A493-R496 WeakPolarHBondContact O-CB 3.31Å; A493-R496 PolarHBondContact O-N 3.48Å; A493-R496 VanDerWaalsContact O-N 3.12Å; A493-D497 WeakPolarHBondContact O-CB 3.39Å; A493-D497 PolarHBondContact O-N 3.15Å
494Q95.2Very high85.6Confident39 Ų3941.9 Ų41.918%0.18222%0.216CC..Hα-helixtrans-62.3-39.1174.9-74.1169.5-36.200112.1W373 R490 Q491 D497 S498W373-Q494 HydrophobicContact CB-CB 4.3Å; W373-Q494 WeakPolarHBondContact O-CB 3.37Å; R490-Q494 WeakPolarHBondContact O-CB 3.33Å; R490-Q494 VanDerWaalsContact O-CG 3.26Å; R490-Q494 WeakPolarHBondContact O-CG 3.35Å; R490-Q494 PolarHBondContact O-N 2.9Å; Q491-Q494 PolarHBondContact O-N 3.41Å; Q494-D497 PolarHBondContact O-N 3.44Å; Q494-S498 VanDerWaalsContact O-CB 3.32Å; Q494-S498 WeakPolarHBondContact O-CB 3.4Å; Q494-S498 PolarHBondContact O-N 3.36Å; Q494-S498 PolarHBondContact O-OG 3.05Å
495I97.4Very high82.5Confident1 Ų150.5 Ų50.51%0.00526%0.256CS..Hα-helixtrans-59.8-50171.5-66162.3000109.7V362 R365 I366 W373 Y452 L464 Q491 I492 A493 D497 S498 F499V362-I495 HydrophobicContact CG1-CG2 4.4Å; R365-I495 HydrophobicContact CG-CG2 4.49Å; I366-I495 HydrophobicContact CD1-CD1 4.24Å; I366-I495 HydrophobicContact CG1-CD1 3.94Å; I366-I495 HydrophobicContact CG1-CG1 4.48Å; I366-I495 HydrophobicContact CG1-CG2 4.26Å; W373-I495 HydrophobicContact CB-CG1 4.39Å; W373-I495 HydrophobicContact CD2-CD1 4.23Å; W373-I495 HydrophobicContact CD2-CG1 3.39Å; W373-I495 HydrophobicContact CE3-CD1 4.18Å; W373-I495 HydrophobicContact CE3-CG1 3.59Å; W373-I495 HydrophobicContact CG-CG1 3.78Å; W373-I495 HydrophobicContact CH2-CD1 4.11Å; W373-I495 HydrophobicContact CH2-CG1 4.32Å; W373-I495 HydrophobicContact CZ2-CD1 4.12Å; W373-I495 HydrophobicContact CZ2-CG1 4.14Å; W373-I495 HydrophobicContact CZ3-CD1 4.13Å; W373-I495 HydrophobicContact CZ3-CG1 4.06Å; Y452-I495 HydrophobicContact CE1-CD1 4.29Å; L464-I495 HydrophobicContact CD2-CB 4.12Å; L464-I495 HydrophobicContact CD2-CD1 4.3Å; L464-I495 HydrophobicContact CD2-CG2 3.66Å; Q491-I495 WeakPolarHBondContact O-CG1 3.43Å; Q491-I495 PolarHBondContact O-N 2.93Å; I492-I495 PolarHBondContact O-N 3.32Å; A493-I495 VanDerWaalsContact C-N 3.33Å; A493-I495 PolarHBondContact O-N 3.38Å; I495-D497 PolarHBondContact O-N 3.29Å; I495-S498 PolarHBondContact O-N 3.38Å; I495-S498 PolarHBondContact O-OG 3.29Å; I495-F499 HydrophobicContact CG2-CE2 4.35Å; I495-F499 VanDerWaalsContact O-CD2 3.23Å; I495-F499 WeakPolarHBondContact O-CD2 3.41Å
496R96.9Very high79.5Confident44 Ų4453.6 Ų53.617%0.16629%0.289CS..Hα-helixtrans-55.2-52.3176.9176.3-166.770-145-5.5111.8Y331 G332 T353 E354 V355 I492 A493 S498 F499Y331-R496 PolarHBondContact O-NH1 2.84Å; Y331-R496 PolarHBondContact O-NH2 3.12Å; G332-R496 PolarHBondContact O-NH1 3.3Å; T353-R496 HydrophobicContact CG2-CB 4.06Å; T353-R496 PolarHBondContact OG1-NH1 3.48Å; E354-R496 WeakPolarHBondContact O-CD 3.4Å; E354-R496 VanDerWaalsContact O-CG 3.27Å; E354-R496 WeakPolarHBondContact O-CG 3.43Å; V355-R496 HydrophobicContact CG2-CB 4.05Å; V355-R496 HydrophobicContact CG2-CG 4.39Å; I492-R496 PolarHBondContact O-N 3.22Å; A493-R496 CarbonylContact O-C 3.45Å; A493-R496 WeakPolarHBondContact O-CA 3.46Å; A493-R496 WeakPolarHBondContact O-CB 3.31Å; A493-R496 PolarHBondContact O-N 3.48Å; A493-R496 VanDerWaalsContact O-N 3.12Å; R496-S498 VanDerWaalsContact C-N 3.26Å; R496-S498 PolarHBondContact O-N 2.88Å; R496-F499 WeakPolarHBondContact O-CB 3.32Å; R496-F499 PolarHBondContact O-N 3.03Å; R496-F499 VanDerWaalsContact O-N 3.09Å
497D95.5Very high77.1Confident58 Ų5859.2 Ų59.231%0.3133%0.325SS..Hα-helixtrans-70.7-25.6-171.7-60.9-19.7000111.5A493 Q494 I495 F499 L500 L501A493-D497 WeakPolarHBondContact O-CB 3.39Å; A493-D497 PolarHBondContact O-N 3.15Å; Q494-D497 PolarHBondContact O-N 3.44Å; I495-D497 PolarHBondContact O-N 3.29Å; D497-F499 PolarHBondContact O-N 2.85Å; D497-F499 VanDerWaalsContact O-N 3.1Å; D497-L500 WeakPolarHBondContact O-CB 3.32Å; D497-L500 PolarHBondContact O-N 2.93Å; D497-L501 PolarHBondContact O-N 2.91Å
498S95.9Very high74.4Confident10 Ų1066.9 Ų66.97%0.0736%0.361CS..THydrogen-bonded Turntrans-62.8-14.517274.80000113.9R365 Q494 I495 R496R365-S498 VanDerWaalsContact NH1-CB 3.29Å; R365-S498 PolarHBondContact NH1-O 3.03Å; R365-S498 PolarHBondContact NH1-OG 2.64Å; Q494-S498 VanDerWaalsContact O-CB 3.32Å; Q494-S498 WeakPolarHBondContact O-CB 3.4Å; Q494-S498 PolarHBondContact O-N 3.36Å; Q494-S498 PolarHBondContact O-OG 3.05Å; I495-S498 PolarHBondContact O-N 3.38Å; I495-S498 PolarHBondContact O-OG 3.29Å; R496-S498 VanDerWaalsContact C-N 3.26Å; R496-S498 PolarHBondContact O-N 2.88Å
499F95Very high71.6Confident24 Ų2473 Ų7311%0.10540%0.398CS..THydrogen-bonded Turntrans-89.8-19170.9-70.3-85.5000113.3V355 A357 E361 V362 R365 I495 R496 D497V355-F499 HydrophobicContact CG1-CD2 3.46Å; V355-F499 VanDerWaalsContact CG1-CD2 3.46Å; V355-F499 HydrophobicContact CG1-CE2 3.83Å; V355-F499 HydrophobicContact CG1-CG 4.1Å; A357-F499 HydrophobicContact CB-CD1 3.46Å; A357-F499 VanDerWaalsContact CB-CD1 3.46Å; A357-F499 HydrophobicContact CB-CD2 4.45Å; A357-F499 HydrophobicContact CB-CE1 3.48Å; A357-F499 VanDerWaalsContact CB-CE1 3.48Å; A357-F499 HydrophobicContact CB-CE2 4.47Å; A357-F499 HydrophobicContact CB-CG 3.97Å; A357-F499 HydrophobicContact CB-CZ 4.01Å; E361-F499 HydrophobicContact CB-CE1 4.43Å; V362-F499 HydrophobicContact CG2-CE2 4.21Å; V362-F499 HydrophobicContact CG2-CZ 4.14Å; R365-F499 HydrophobicContact CB-CE2 3.96Å; R365-F499 HydrophobicContact CB-CZ 3.53Å; R365-F499 HydrophobicContact CG-CE2 3.77Å; R365-F499 HydrophobicContact CG-CZ 3.81Å; I495-F499 HydrophobicContact CG2-CE2 4.35Å; I495-F499 VanDerWaalsContact O-CD2 3.23Å; I495-F499 WeakPolarHBondContact O-CD2 3.41Å; R496-F499 WeakPolarHBondContact O-CB 3.32Å; R496-F499 PolarHBondContact O-N 3.03Å; R496-F499 VanDerWaalsContact O-N 3.09Å; D497-F499 PolarHBondContact O-N 2.85Å; D497-F499 VanDerWaalsContact O-N 3.1Å
500L87Confident68.7Low95 Ų9580 Ų8050%0.49744%0.435SS..G310 helixtrans-79.3-31.4178.5-57.9177.9000112Q356 D497 K502Q356-L500 HydrophobicContact CG-CD2 4.4Å; D497-L500 WeakPolarHBondContact O-CB 3.32Å; D497-L500 PolarHBondContact O-N 2.93Å; L500-K502 PolarHBondContact O-N 3.3Å
501L67.4Low66.3Low132 Ų13290.1 Ų90.169%0.69149%0.49SS*.G310 helixtrans-66-7.4-177.6-68.8168.9000114.3D497 V503D497-L501 PolarHBondContact O-N 2.91Å; L501-V503 PolarHBondContact O-N 3.33Å
502K52.9Low64.9Low152 Ų15293.2 Ų93.266%0.66151%0.508SS*.G310 helixtrans-74.37.3178.3-78-168173.7-175.60115.3L500L500-K502 PolarHBondContact O-N 3.3Å
503V38.6Very low63.2Low132 Ų13298.1 Ų98.180%0.854%0.535SS*.G310 helixtrans-98.110.8-177.9-171.60000114.4L501L501-V503 PolarHBondContact O-N 3.33Å
504T32Very low61.5Low111 Ų111103.3 Ų103.368%0.68156%0.563SS**SBendtrans-119.1122.7175.9440000113.5
505H29.6Very low59.5Low186 Ų186107.1 Ų107.186%0.86159%0.585SS**  trans80.663.5174.5-53.9-68.5000118.2
506G31.6Very low57.1Low66 Ų66113.8 Ų113.868%0.6862%0.622SS**  trans-82.7137.5144.200000109.1E508G506-E508 PolarHBondContact O-N 3.2Å
507P42.2Very low54.5Low120 Ų120118.4 Ų118.478%0.77965%0.652SS**  trans-68.1129.3178.629-30.5000108.5T509P507-T509 PolarHBondContact O-N 3.07Å
508E36.5Very low51.6Low177 Ų177122.7 Ų122.783%0.82768%0.676SS**  trans-53.8104.9168.3-69.1176.9159.600108.8G506 N510G506-E508 PolarHBondContact O-N 3.2Å; E508-N510 PolarHBondContact O-N 3.13Å; E508-N510 VanDerWaalsContact O-N 3.13Å
509T36.7Very low48.1Very low127 Ų127131.4 Ų131.478%0.77972%0.723SS**  trans-72.597.3159.933.90000107.1P507 L511P507-T509 PolarHBondContact O-N 3.07Å; T509-L511 PolarHBondContact O-N 2.95Å; T509-L511 VanDerWaalsContact O-N 3.15Å
510N34.7Very low44.2Very low147 Ų147140.3 Ų140.379%0.78678%0.775SS**  trans-63.8104.1157.5-73.2-39000108E508E508-N510 PolarHBondContact O-N 3.13Å; E508-N510 VanDerWaalsContact O-N 3.13Å
511L41.7Very low40.4Very low239 Ų239144.5 Ų144.5100%1.25180%0.8SS**  trans-110.80146.9-78167.7000106T509T509-L511 PolarHBondContact O-N 2.95Å; T509-L511 VanDerWaalsContact O-N 3.15Å

Retrieved 511 of 511 residues in 117.2 ms (Link to these results)

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