A0A068BUU2_HUMAN Loading...

NADH-ubiquinone oxidoreductase chain 5

Core subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I) which catalyzes electron transfer from NADH through the respiratory chain, using ubiquinone as an electron acceptor. Essential for the catalytic activity and assembly of complex I.

AlphaFold DB , UniProt , Accession A0A068BUU2, Species HUMAN (Homo sapiens, Human), Gene ND5, Length 603 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
1M73.8Confident84.4Confident124 Ų12457.5 Ų57.561%0.61132%0.317SS*.  0-68.90-68.4-52.8-172.700113.3M3 H4 T5 Q59 V61M1-M3 PolarHBondContact O-N 2.87Å; M1-H4 WeakPolarHBondContact O-CB 3.26Å; M1-H4 PolarHBondContact O-N 3.07Å; M1-H4 VanDerWaalsContact O-N 3.12Å; M1-T5 PolarHBondContact O-N 3.22Å; M1-T5 VanDerWaalsContact O-N 3.12Å; M1-T5 PolarHBondContact O-OG1 3.25Å; M1-Q59 HydrophobicContact CE-CG 4.33Å; M1-Q59 VanDerWaalsContact CE-OE1 3.29Å; M1-V61 HydrophobicContact SD-CG2 4.01Å
2T80.9Confident84.6Confident114 Ų11455.5 Ų55.570%0.69931%0.305SS*.Hα-helixtrans-57-44.3-176.651.10000113.6H4 T5 T6T2-H4 VanDerWaalsContact C-N 3.3Å; T2-H4 PolarHBondContact O-N 2.98Å; T2-T5 PolarHBondContact O-N 2.95Å; T2-T5 PolarHBondContact O-OG1 3.39Å; T2-T6 WeakPolarHBondContact O-CG2 3.34Å; T2-T6 PolarHBondContact O-N 2.88Å; T2-T6 PolarHBondContact O-OG1 3.09Å; T2-T6 VanDerWaalsContact O-OG1 3.06Å
3M82.6Confident85Confident86 Ų8656.9 Ų56.942%0.42432%0.316SS..Hα-helixtrans-63-36.1178.6-165.8179.6-17200113M1 T6 M7 F49M1-M3 PolarHBondContact O-N 2.87Å; M3-T6 WeakPolarHBondContact CA-OG1 3.44Å; M3-T6 PolarHBondContact O-OG1 2.81Å; M3-M7 HydrophobicContact CE-CE 4.04Å; M3-M7 HydrophobicContact CG-CG 4.43Å; M3-M7 WeakPolarHBondContact O-CB 3.45Å; M3-M7 WeakPolarHBondContact O-CG 2.93Å; M3-M7 PolarHBondContact O-N 2.92Å; M3-F49 HydrophobicContact CE-CD1 4.33Å; M3-F49 HydrophobicContact CE-CD2 4.46Å; M3-F49 HydrophobicContact CE-CE1 3.48Å; M3-F49 VanDerWaalsContact CE-CE1 3.48Å; M3-F49 HydrophobicContact CE-CE2 3.64Å; M3-F49 HydrophobicContact CE-CZ 3.09Å; M3-F49 HydrophobicContact CG-CE1 3.69Å; M3-F49 HydrophobicContact CG-CZ 4.17Å; M3-F49 HydrophobicContact SD-CE1 3.45Å; M3-F49 WeakPolarHBondContact SD-CE1 3.38Å; M3-F49 HydrophobicContact SD-CE2 4.37Å; M3-F49 HydrophobicContact SD-CZ 3.29Å; M3-F49 WeakPolarHBondContact SD-CZ 3.29Å
4H81.8Confident85.6Confident10 Ų1054.5 Ų54.55%0.04631%0.305CS..Hα-helixtrans-69.3-45.7179.3-177.6-73.4000110.9M1 T2 M7 T8 M87M1-H4 WeakPolarHBondContact O-CB 3.26Å; M1-H4 PolarHBondContact O-N 3.07Å; M1-H4 VanDerWaalsContact O-N 3.12Å; T2-H4 VanDerWaalsContact C-N 3.3Å; T2-H4 PolarHBondContact O-N 2.98Å; H4-M7 PolarHBondContact O-N 3.32Å; H4-T8 WeakPolarHBondContact O-CB 3.46Å; H4-T8 VanDerWaalsContact O-CG2 3.28Å; H4-T8 WeakPolarHBondContact O-CG2 3.27Å; H4-T8 PolarHBondContact O-N 2.8Å; H4-T8 PolarHBondContact O-OG1 3.22Å; H4-M87 WeakPolarHBondContact CE1-CE 3.36Å; H4-M87 WeakPolarHBondContact NE2-CE 3.37Å
5T83.8Confident86.2Confident41 Ų4151 Ų5125%0.25229%0.285SS..Hα-helixtrans-65-42.5176.256.30000111.6M1 T2 M7 T8 T9 V61 I63M1-T5 PolarHBondContact O-N 3.22Å; M1-T5 VanDerWaalsContact O-N 3.12Å; M1-T5 PolarHBondContact O-OG1 3.25Å; T2-T5 PolarHBondContact O-N 2.95Å; T2-T5 PolarHBondContact O-OG1 3.39Å; T5-M7 PolarHBondContact O-N 2.67Å; T5-T8 WeakPolarHBondContact CA-OG1 3.34Å; T5-T8 PolarHBondContact O-N 3.05Å; T5-T8 PolarHBondContact O-OG1 3.06Å; T5-T9 WeakPolarHBondContact O-CG2 3.4Å; T5-T9 PolarHBondContact O-N 3.17Å; T5-T9 PolarHBondContact O-OG1 3.28Å; T5-T9 VanDerWaalsContact O-OG1 3.08Å; T5-V61 HydrophobicContact CG2-CG1 3.83Å; T5-I63 HydrophobicContact CG2-CD1 3.83Å; T5-I63 HydrophobicContact CG2-CG1 3.97Å
6T86.6Confident86.5Confident76 Ų7652.6 Ų52.647%0.46629%0.292SS..Hα-helixtrans-63.3-45.6177.153.70000112T2 M3 T8 T9 L10T2-T6 WeakPolarHBondContact O-CG2 3.34Å; T2-T6 PolarHBondContact O-N 2.88Å; T2-T6 PolarHBondContact O-OG1 3.09Å; T2-T6 VanDerWaalsContact O-OG1 3.06Å; M3-T6 WeakPolarHBondContact CA-OG1 3.44Å; M3-T6 PolarHBondContact O-OG1 2.81Å; T6-T8 PolarHBondContact O-N 3.44Å; T6-T9 WeakPolarHBondContact CA-OG1 3.18Å; T6-T9 PolarHBondContact O-N 2.97Å; T6-T9 PolarHBondContact O-OG1 3.41Å; T6-L10 WeakPolarHBondContact O-CB 3.4Å; T6-L10 PolarHBondContact O-N 3.39Å
7M87.2Confident86.8Confident50 Ų5052.5 Ų52.525%0.24629%0.294CS..Hα-helixtrans-66.8-39.5-178.6-70.9-62.3-177.700112M3 H4 T5 L10 T11 I46 F49M3-M7 HydrophobicContact CE-CE 4.04Å; M3-M7 HydrophobicContact CG-CG 4.43Å; M3-M7 WeakPolarHBondContact O-CB 3.45Å; M3-M7 WeakPolarHBondContact O-CG 2.93Å; M3-M7 PolarHBondContact O-N 2.92Å; H4-M7 PolarHBondContact O-N 3.32Å; T5-M7 PolarHBondContact O-N 2.67Å; M7-L10 WeakPolarHBondContact O-CB 3.18Å; M7-L10 PolarHBondContact O-N 2.87Å; M7-L10 HydrophobicContact SD-CD2 4.27Å; M7-T11 WeakPolarHBondContact O-CG2 3.28Å; M7-T11 PolarHBondContact O-N 3.3Å; M7-I46 HydrophobicContact SD-CG2 4.32Å; M7-F49 HydrophobicContact CB-CD1 4.24Å; M7-F49 HydrophobicContact CG-CD1 3.7Å; M7-F49 HydrophobicContact CG-CE1 4.34Å; M7-F49 HydrophobicContact CG-CG 4.34Å
8T84.4Confident87Confident6 Ų649.6 Ų49.64%0.03728%0.278CS..Hα-helixtrans-68.3-38.2174.951.70000113.3H4 T5 T6 L10 T11 L12 P50 I63 L82 M87H4-T8 WeakPolarHBondContact O-CB 3.46Å; H4-T8 VanDerWaalsContact O-CG2 3.28Å; H4-T8 WeakPolarHBondContact O-CG2 3.27Å; H4-T8 PolarHBondContact O-N 2.8Å; H4-T8 PolarHBondContact O-OG1 3.22Å; T5-T8 WeakPolarHBondContact CA-OG1 3.34Å; T5-T8 PolarHBondContact O-N 3.05Å; T5-T8 PolarHBondContact O-OG1 3.06Å; T6-T8 PolarHBondContact O-N 3.44Å; T8-L10 VanDerWaalsContact C-N 3.27Å; T8-L10 PolarHBondContact O-N 2.73Å; T8-T11 PolarHBondContact O-N 2.93Å; T8-T11 PolarHBondContact O-OG1 3.38Å; T8-L12 PolarHBondContact O-N 3.44Å; T8-P50 HydrophobicContact CG2-CB 3.5Å; T8-P50 VanDerWaalsContact CG2-CB 3.5Å; T8-P50 HydrophobicContact CG2-CG 3.91Å; T8-I63 WeakPolarHBondContact OG1-CD1 3.23Å; T8-L82 HydrophobicContact CG2-CD1 3.44Å; T8-L82 VanDerWaalsContact CG2-CD1 3.44Å; T8-L82 HydrophobicContact CG2-CD2 4.11Å; T8-L82 HydrophobicContact CG2-CG 4.39Å; T8-L82 WeakPolarHBondContact OG1-CD1 3.47Å; T8-M87 HydrophobicContact CG2-CE 3.75Å
9T87.3Confident87.2Confident43 Ų4348.9 Ų48.926%0.26427%0.273SS..Hα-helixtrans-63.7-39170.7560000110.9T5 T6 T11 L12 T13 I63T5-T9 WeakPolarHBondContact O-CG2 3.4Å; T5-T9 PolarHBondContact O-N 3.17Å; T5-T9 PolarHBondContact O-OG1 3.28Å; T5-T9 VanDerWaalsContact O-OG1 3.08Å; T6-T9 WeakPolarHBondContact CA-OG1 3.18Å; T6-T9 PolarHBondContact O-N 2.97Å; T6-T9 PolarHBondContact O-OG1 3.41Å; T9-T11 PolarHBondContact O-N 3.44Å; T9-L12 PolarHBondContact O-N 3.17Å; T9-T13 WeakPolarHBondContact O-CB 3.19Å; T9-T13 WeakPolarHBondContact O-CG2 3.1Å; T9-T13 PolarHBondContact O-N 2.91Å; T9-T13 PolarHBondContact O-OG1 3.44Å; T9-I63 HydrophobicContact CG2-CD1 4.41Å
10L90.4Very high87.3Confident78 Ų7851.2 Ų51.241%0.40829%0.285SS..Hα-helixtrans-62.6-41.1177.8-164.581.8000111.9T6 M7 T8 L12 T13 S14 I46T6-L10 WeakPolarHBondContact O-CB 3.4Å; T6-L10 PolarHBondContact O-N 3.39Å; M7-L10 WeakPolarHBondContact O-CB 3.18Å; M7-L10 PolarHBondContact O-N 2.87Å; M7-L10 HydrophobicContact SD-CD2 4.27Å; T8-L10 VanDerWaalsContact C-N 3.27Å; T8-L10 PolarHBondContact O-N 2.73Å; L10-L12 VanDerWaalsContact C-N 3.34Å; L10-L12 PolarHBondContact O-N 3.43Å; L10-T13 WeakPolarHBondContact CA-OG1 3.29Å; L10-T13 PolarHBondContact O-N 2.94Å; L10-T13 PolarHBondContact O-OG1 3.4Å; L10-S14 WeakPolarHBondContact O-CB 3.45Å; L10-S14 PolarHBondContact O-N 3.4Å; L10-S14 PolarHBondContact O-OG 2.97Å; L10-I46 HydrophobicContact CB-CG2 4.28Å; L10-I46 HydrophobicContact CD2-CD1 3.78Å; L10-I46 HydrophobicContact CD2-CG1 4.19Å; L10-I46 HydrophobicContact CD2-CG2 3.74Å; L10-I46 HydrophobicContact CG-CD1 4.38Å; L10-I46 HydrophobicContact CG-CG2 4.32Å
11T89.4Confident87.2Confident5 Ų551.2 Ų51.23%0.03129%0.286CS..Hα-helixtrans-61.1-42.8177.757.90000111.7M7 T8 T9 S14 I46 S47M7-T11 WeakPolarHBondContact O-CG2 3.28Å; M7-T11 PolarHBondContact O-N 3.3Å; T8-T11 PolarHBondContact O-N 2.93Å; T8-T11 PolarHBondContact O-OG1 3.38Å; T9-T11 PolarHBondContact O-N 3.44Å; T11-S14 PolarHBondContact O-OG 3.14Å; T11-S14 VanDerWaalsContact O-OG 3.08Å; T11-I46 HydrophobicContact CG2-CB 4.16Å; T11-I46 HydrophobicContact CG2-CG2 3.57Å; T11-S47 VanDerWaalsContact CG2-CA 3.47Å
12L87.3Confident87.7Confident33 Ų3346.8 Ų46.817%0.17327%0.266CS..Hα-helixtrans-71.9-43.8179.3-64.9176.3000111.6T8 T9 L10 F80 L129T8-L12 PolarHBondContact O-N 3.44Å; T9-L12 PolarHBondContact O-N 3.17Å; L10-L12 VanDerWaalsContact C-N 3.34Å; L10-L12 PolarHBondContact O-N 3.43Å; L12-F80 HydrophobicContact CD1-CD1 3.84Å; L12-F80 HydrophobicContact CD1-CD2 4.34Å; L12-F80 HydrophobicContact CD1-CE1 3.77Å; L12-F80 HydrophobicContact CD1-CE2 4.29Å; L12-F80 HydrophobicContact CD1-CG 4.11Å; L12-F80 HydrophobicContact CD1-CZ 4.01Å; L12-L129 HydrophobicContact CD2-CB 4.11Å
13T90.2Very high87.9Confident74 Ų7447.7 Ų47.745%0.45427%0.266SS..Hα-helixtrans-74.2-29.6-176.657.90000113.2T9 L10 L15 I16 P17T9-T13 WeakPolarHBondContact O-CB 3.19Å; T9-T13 WeakPolarHBondContact O-CG2 3.1Å; T9-T13 PolarHBondContact O-N 2.91Å; T9-T13 PolarHBondContact O-OG1 3.44Å; L10-T13 WeakPolarHBondContact CA-OG1 3.29Å; L10-T13 PolarHBondContact O-N 2.94Å; L10-T13 PolarHBondContact O-OG1 3.4Å; T13-L15 PolarHBondContact O-N 2.83Å; T13-L15 VanDerWaalsContact O-N 3.17Å; T13-I16 WeakPolarHBondContact O-CB 3.19Å; T13-I16 PolarHBondContact O-N 2.95Å; T13-I16 VanDerWaalsContact O-N 3.12Å; T13-P17 VanDerWaalsContact O-CD 3.28Å; T13-P17 WeakPolarHBondContact O-CD 3.24Å
14S93.1Very high87.9Confident23 Ų2348.7 Ų48.716%0.16128%0.276CS..THydrogen-bonded Turntrans-66.8-14.5-177.5500000114.2L10 T11 P17 I39 T43L10-S14 WeakPolarHBondContact O-CB 3.45Å; L10-S14 PolarHBondContact O-N 3.4Å; L10-S14 PolarHBondContact O-OG 2.97Å; T11-S14 PolarHBondContact O-OG 3.14Å; T11-S14 VanDerWaalsContact O-OG 3.08Å; S14-P17 WeakPolarHBondContact O-CD 3.41Å; S14-I39 WeakPolarHBondContact O-CG2 3.1Å; S14-T43 WeakPolarHBondContact OG-CG2 3.38Å
15L93.6Very high87.6Confident2 Ų252.4 Ų52.41%0.0130%0.297CS..THydrogen-bonded Turntrans-85.5-13.5174.8-64.9170000114T13 P18 I39 V40 T43 L94 L122 L125 I126 L129T13-L15 PolarHBondContact O-N 2.83Å; T13-L15 VanDerWaalsContact O-N 3.17Å; L15-P18 WeakPolarHBondContact O-CD 3.14Å; L15-I39 HydrophobicContact CD2-CG2 4.42Å; L15-V40 HydrophobicContact CD2-CG2 4.18Å; L15-T43 HydrophobicContact CD2-CG2 3.59Å; L15-T43 HydrophobicContact CG-CG2 3.92Å; L15-L94 HydrophobicContact CD1-CD2 4.41Å; L15-L122 HydrophobicContact CB-CD1 4.46Å; L15-L122 HydrophobicContact CD2-CD1 4Å; L15-L125 HydrophobicContact CD1-CD2 3.55Å; L15-L125 HydrophobicContact CD1-CG 4.42Å; L15-L125 HydrophobicContact CD2-CD2 3.58Å; L15-L125 HydrophobicContact CG-CD2 4.18Å; L15-I126 HydrophobicContact CB-CD1 3.98Å; L15-I126 HydrophobicContact CB-CG1 3.86Å; L15-I126 HydrophobicContact CD1-CG1 4.26Å; L15-L129 HydrophobicContact CD1-CD1 3.24Å
16I92.5Very high86.8Confident76 Ų7655 Ų5539%0.3932%0.315SS..Hα-helixtrans-76.2-39.2-177.6-57.6174000113.6T13 P18 I19 L20T13-I16 WeakPolarHBondContact O-CB 3.19Å; T13-I16 PolarHBondContact O-N 2.95Å; T13-I16 VanDerWaalsContact O-N 3.12Å; I16-P18 VanDerWaalsContact C-CD 3.47Å; I16-I19 WeakPolarHBondContact O-CB 3.23Å; I16-I19 PolarHBondContact O-N 3.18Å; I16-L20 HydrophobicContact CG2-CD1 3.85Å; I16-L20 HydrophobicContact CG2-CG 3.98Å; I16-L20 PolarHBondContact O-N 3.01Å
17P91.4Very high85.7Confident51 Ų5158.1 Ų58.133%0.33133%0.328SS..Hα-helixtrans-51.8-44.9-176.2-25.431.2000115.2T13 S14 I19 L20 T21T13-P17 VanDerWaalsContact O-CD 3.28Å; T13-P17 WeakPolarHBondContact O-CD 3.24Å; S14-P17 WeakPolarHBondContact O-CD 3.41Å; P17-I19 VanDerWaalsContact C-N 3.27Å; P17-I19 PolarHBondContact O-N 3.37Å; P17-L20 PolarHBondContact O-N 3.45Å; P17-L20 VanDerWaalsContact O-N 3.14Å; P17-T21 WeakPolarHBondContact O-CG2 3.12Å; P17-T21 PolarHBondContact O-N 3.23Å
18P90.6Very high84.4Confident0 Ų063.2 Ų63.20%035%0.349CS..Hα-helixtrans-58.6-38.8177.5-15.524.2000113.2L15 I16 T21 T22 Y32 Y35 V36 I39 L122L15-P18 WeakPolarHBondContact O-CD 3.14Å; I16-P18 VanDerWaalsContact C-CD 3.47Å; P18-T21 PolarHBondContact O-N 3.35Å; P18-T21 PolarHBondContact O-OG1 2.98Å; P18-T22 PolarHBondContact O-N 3.38Å; P18-Y32 HydrophobicContact CB-CE2 4.13Å; P18-Y35 HydrophobicContact CB-CD1 4.31Å; P18-Y35 HydrophobicContact CB-CE1 3.99Å; P18-Y35 HydrophobicContact CG-CE1 4.13Å; P18-V36 HydrophobicContact CB-CG2 3.92Å; P18-I39 HydrophobicContact CG-CB 4.36Å; P18-I39 HydrophobicContact CG-CD1 3.54Å; P18-I39 HydrophobicContact CG-CG2 4.08Å; P18-L122 HydrophobicContact CB-CD2 3.53Å; P18-L122 HydrophobicContact CG-CD2 3.73Å
19I90.8Very high83.2Confident37 Ų3770.9 Ų70.919%0.1938%0.382CS..Hα-helixtrans-64.7-45.8177.7-61.5175.7000110I16 P17 T21 T22 L23 L122 I123 I126I16-I19 WeakPolarHBondContact O-CB 3.23Å; I16-I19 PolarHBondContact O-N 3.18Å; P17-I19 VanDerWaalsContact C-N 3.27Å; P17-I19 PolarHBondContact O-N 3.37Å; I19-T21 VanDerWaalsContact C-N 3.29Å; I19-T21 PolarHBondContact O-N 2.95Å; I19-T22 PolarHBondContact O-N 3.42Å; I19-T22 VanDerWaalsContact O-N 3.11Å; I19-T22 PolarHBondContact O-OG1 3.15Å; I19-L23 PolarHBondContact O-N 3.45Å; I19-L122 HydrophobicContact CD1-CD2 4.31Å; I19-L122 HydrophobicContact CD1-CG 4.38Å; I19-L122 HydrophobicContact CG1-CD2 3.76Å; I19-L122 HydrophobicContact CG1-CG 4.33Å; I19-I123 HydrophobicContact CD1-CG1 3.74Å; I19-I123 HydrophobicContact CG1-CG1 4.35Å; I19-I126 HydrophobicContact CD1-CD1 3.26Å; I19-I126 HydrophobicContact CG1-CD1 4.45Å
20L88.6Confident82Confident95 Ų9576.2 Ų76.250%0.49741%0.409SS..Hα-helixtrans-59.7-39.4176.3-66.3174000111.7I16 P17 T22 L23 V24I16-L20 HydrophobicContact CG2-CD1 3.85Å; I16-L20 HydrophobicContact CG2-CG 3.98Å; I16-L20 PolarHBondContact O-N 3.01Å; P17-L20 PolarHBondContact O-N 3.45Å; P17-L20 VanDerWaalsContact O-N 3.14Å; L20-T22 VanDerWaalsContact C-N 3.26Å; L20-T22 PolarHBondContact O-N 2.95Å; L20-L23 HydrophobicContact CD2-CD1 4.37Å; L20-L23 WeakPolarHBondContact O-CB 3.49Å; L20-L23 PolarHBondContact O-N 3.2Å; L20-L23 VanDerWaalsContact O-N 3.08Å; L20-V24 WeakPolarHBondContact O-CG2 3.43Å; L20-V24 PolarHBondContact O-N 2.94Å; L20-V24 VanDerWaalsContact O-N 3.09Å
21T85.9Confident81.6Confident52 Ų5276.3 Ų76.332%0.31942%0.416SS..Hα-helixtrans-61.6-34.6177.263.70000112.8P17 P18 I19 L23 V24 N25 Y35P17-T21 WeakPolarHBondContact O-CG2 3.12Å; P17-T21 PolarHBondContact O-N 3.23Å; P18-T21 PolarHBondContact O-N 3.35Å; P18-T21 PolarHBondContact O-OG1 2.98Å; I19-T21 VanDerWaalsContact C-N 3.29Å; I19-T21 PolarHBondContact O-N 2.95Å; T21-L23 VanDerWaalsContact C-N 3.3Å; T21-L23 PolarHBondContact O-N 3.41Å; T21-V24 PolarHBondContact O-N 3.24Å; T21-N25 PolarHBondContact O-N 3.25Å; T21-Y35 HydrophobicContact CG2-CE1 4.15Å
22T84.1Confident81.6Confident30 Ų3077 Ų7718%0.18442%0.418CS..Hα-helixtrans-69.2-27.7176.166.50000113.3P18 I19 L20 Y32 K119P18-T22 PolarHBondContact O-N 3.38Å; I19-T22 PolarHBondContact O-N 3.42Å; I19-T22 VanDerWaalsContact O-N 3.11Å; I19-T22 PolarHBondContact O-OG1 3.15Å; L20-T22 VanDerWaalsContact C-N 3.26Å; L20-T22 PolarHBondContact O-N 2.95Å; T22-Y32 HydrophobicContact CG2-CD2 4.11Å; T22-Y32 HydrophobicContact CG2-CE1 4.18Å; T22-Y32 HydrophobicContact CG2-CE2 3.33Å; T22-Y32 WeakPolarHBondContact CG2-OH 3.43Å; T22-K119 HydrophobicContact CG2-CD 4.18Å
23L83.8Confident81.8Confident133 Ų13375.9 Ų75.970%0.69641%0.413SS*.Hα-helixtrans-75.5-40.2175.5-66.7171.1000111.4I19 L20 T21I19-L23 PolarHBondContact O-N 3.45Å; L20-L23 HydrophobicContact CD2-CD1 4.37Å; L20-L23 WeakPolarHBondContact O-CB 3.49Å; L20-L23 PolarHBondContact O-N 3.2Å; L20-L23 VanDerWaalsContact O-N 3.08Å; T21-L23 VanDerWaalsContact C-N 3.3Å; T21-L23 PolarHBondContact O-N 3.41Å
24V82.4Confident81.9Confident107 Ų10777.4 Ų77.465%0.64842%0.415SS*.Hα-helixtrans-77.3-42-177.6178.40000111.9L20 T21L20-V24 WeakPolarHBondContact O-CG2 3.43Å; L20-V24 PolarHBondContact O-N 2.94Å; L20-V24 VanDerWaalsContact O-N 3.09Å; T21-V24 PolarHBondContact O-N 3.24Å
25N76.8Confident81.9Confident88 Ų8880.5 Ų80.547%0.47142%0.423SS..  trans-133.478-173.5-76.3-37000111.7T21 N27T21-N25 PolarHBondContact O-N 3.25Å; N25-N27 PolarHBondContact O-N 3.07Å; N25-N27 VanDerWaalsContact O-N 3.16Å
26P67.5Low81.9Confident97 Ų9780.4 Ų80.463%0.6342%0.423SS*.THydrogen-bonded Turntrans-64.8-21.1-177.325.8-34.5000113.7
27N61.7Low82Confident140 Ų14078.8 Ų78.875%0.74941%0.413SS*.THydrogen-bonded Turntrans-101.2-0.9-165-67.5-11.2000116N25 K29N25-N27 PolarHBondContact O-N 3.07Å; N25-N27 VanDerWaalsContact O-N 3.16Å; N27-K29 PolarHBondContact O-N 3.43Å
28K61.8Low82.2Confident158 Ų15879.3 Ų79.369%0.68742%0.418SS*.  trans-79.2110.8178.2-79.8-172.8178.2179.10110.7
29K59Low82.4Confident166 Ų16680.1 Ų80.172%0.72242%0.422SS*.  trans-83.3-28.1-164.9-74.8-179.9176.6179.90116.6N27N27-K29 PolarHBondContact O-N 3.43Å
30N62.1Low82.7Confident155 Ų15578.4 Ų78.483%0.82941%0.413SS*.SBendtrans-106.3-7.2-153.2-68.66.2000118.2
31S80.3Confident83Confident81 Ų8174.8 Ų74.857%0.56640%0.397SS*.SBendtrans-138.73.7-175.4620000116.5H34 Y35S31-H34 PolarHBondContact O-N 2.98Å; S31-Y35 WeakPolarHBondContact O-CB 3.47Å; S31-Y35 PolarHBondContact O-N 2.82Å
32Y89.5Confident83.5Confident19 Ų1974.8 Ų74.88%0.07540%0.399CS..Hα-helixtrans-60.1-45-177.6-179.8-99.5000113.8P18 T22 H34 Y35 V36 N115 F118 K119P18-Y32 HydrophobicContact CB-CE2 4.13Å; T22-Y32 HydrophobicContact CG2-CD2 4.11Å; T22-Y32 HydrophobicContact CG2-CE1 4.18Å; T22-Y32 HydrophobicContact CG2-CE2 3.33Å; T22-Y32 WeakPolarHBondContact CG2-OH 3.43Å; Y32-H34 VanDerWaalsContact C-N 3.34Å; Y32-H34 PolarHBondContact O-N 2.63Å; Y32-Y35 HydrophobicContact CD2-CD1 4.48Å; Y32-Y35 WeakPolarHBondContact O-CB 3.39Å; Y32-Y35 PolarHBondContact O-N 2.98Å; Y32-V36 HydrophobicContact CD1-CG2 4.04Å; Y32-V36 HydrophobicContact CD2-CG2 4.22Å; Y32-V36 HydrophobicContact CE1-CG2 3.54Å; Y32-V36 HydrophobicContact CE2-CG2 3.73Å; Y32-V36 HydrophobicContact CG-CG2 4.36Å; Y32-V36 WeakPolarHBondContact O-CG2 3.4Å; Y32-V36 PolarHBondContact O-N 2.95Å; Y32-N115 HydrophobicContact CD1-CB 3.96Å; Y32-N115 WeakPolarHBondContact CE1-O 3.05Å; Y32-F118 HydrophobicContact CD1-CB 4.35Å; Y32-F118 HydrophobicContact CE1-CB 3.98Å; Y32-K119 HydrophobicContact CE1-CB 4.44Å
33P91.8Very high84.1Confident9 Ų973.3 Ų73.36%0.05839%0.39CS..Hα-helixtrans-63.4-39.5-179.3-26.439.5000112.8V36 K37 L105 I114 N115 F118P33-V36 PolarHBondContact O-N 2.94Å; P33-K37 WeakPolarHBondContact O-CB 3.48Å; P33-K37 PolarHBondContact O-N 3.12Å; P33-L105 HydrophobicContact CB-CD2 3.31Å; P33-I114 HydrophobicContact CG-CD1 4.43Å; P33-I114 HydrophobicContact CG-CG1 4.3Å; P33-I114 HydrophobicContact CG-CG2 4.2Å; P33-N115 VanDerWaalsContact CD-OD1 3.24Å; P33-N115 WeakPolarHBondContact CD-OD1 3.41Å; P33-N115 VanDerWaalsContact CG-OD1 3.32Å; P33-N115 WeakPolarHBondContact CG-OD1 3.44Å; P33-F118 HydrophobicContact CB-CD1 4.06Å; P33-F118 HydrophobicContact CB-CD2 3.89Å; P33-F118 HydrophobicContact CB-CE1 3.96Å; P33-F118 HydrophobicContact CB-CE2 3.8Å; P33-F118 HydrophobicContact CB-CG 4.02Å; P33-F118 HydrophobicContact CB-CZ 3.82Å; P33-F118 HydrophobicContact CG-CD2 4.24Å; P33-F118 HydrophobicContact CG-CE2 4.43Å
34H92.6Very high84.7Confident107 Ų10768.5 Ų68.550%0.49536%0.364SS..Hα-helixtrans-67.6-38175.3-72.1-68000112.4S31 Y32 K37 S38S31-H34 PolarHBondContact O-N 2.98Å; Y32-H34 VanDerWaalsContact C-N 3.34Å; Y32-H34 PolarHBondContact O-N 2.63Å; H34-K37 PolarHBondContact O-N 3.38Å; H34-S38 PolarHBondContact O-N 3.26Å; H34-S38 PolarHBondContact O-OG 3.37Å
35Y92.4Very high85.3Confident87 Ų8769 Ų6934%0.34136%0.361SS..Hα-helixtrans-64.3-44175.1174.4-118.8000112.2P18 T21 S31 Y32 S38 I39P18-Y35 HydrophobicContact CB-CD1 4.31Å; P18-Y35 HydrophobicContact CB-CE1 3.99Å; P18-Y35 HydrophobicContact CG-CE1 4.13Å; T21-Y35 HydrophobicContact CG2-CE1 4.15Å; S31-Y35 WeakPolarHBondContact O-CB 3.47Å; S31-Y35 PolarHBondContact O-N 2.82Å; Y32-Y35 HydrophobicContact CD2-CD1 4.48Å; Y32-Y35 WeakPolarHBondContact O-CB 3.39Å; Y32-Y35 PolarHBondContact O-N 2.98Å; Y35-S38 PolarHBondContact O-N 3.44Å; Y35-S38 PolarHBondContact O-OG 3.44Å; Y35-I39 HydrophobicContact CD1-CD1 4.23Å; Y35-I39 HydrophobicContact CD2-CD1 3.88Å; Y35-I39 HydrophobicContact CD2-CG1 4.44Å; Y35-I39 HydrophobicContact CE1-CD1 3.68Å; Y35-I39 HydrophobicContact CE2-CD1 3.25Å; Y35-I39 HydrophobicContact CE2-CG1 4.1Å; Y35-I39 HydrophobicContact CG-CD1 4.33Å; Y35-I39 PolarHBondContact O-N 3.01Å; Y35-I39 WeakPolarHBondContact OH-CD1 3.38Å
36V94.3Very high86.1Confident0 Ų066.7 Ų66.70%035%0.349CS..Hα-helixtrans-62.7-44.9175175.40000110.6P18 Y32 P33 S38 I39 V40 M101 F118 L122P18-V36 HydrophobicContact CB-CG2 3.92Å; Y32-V36 HydrophobicContact CD1-CG2 4.04Å; Y32-V36 HydrophobicContact CD2-CG2 4.22Å; Y32-V36 HydrophobicContact CE1-CG2 3.54Å; Y32-V36 HydrophobicContact CE2-CG2 3.73Å; Y32-V36 HydrophobicContact CG-CG2 4.36Å; Y32-V36 WeakPolarHBondContact O-CG2 3.4Å; Y32-V36 PolarHBondContact O-N 2.95Å; P33-V36 PolarHBondContact O-N 2.94Å; V36-S38 PolarHBondContact O-N 2.81Å; V36-I39 PolarHBondContact O-N 2.84Å; V36-V40 HydrophobicContact CG1-CG2 4.49Å; V36-V40 WeakPolarHBondContact O-CG2 3.31Å; V36-V40 PolarHBondContact O-N 2.9Å; V36-M101 HydrophobicContact CG1-CE 3.28Å; V36-M101 HydrophobicContact CG1-SD 4.14Å; V36-F118 HydrophobicContact CB-CD1 4.22Å; V36-F118 HydrophobicContact CG1-CD1 4.21Å; V36-L122 HydrophobicContact CG1-CB 4.39Å; V36-L122 HydrophobicContact CG1-CD1 4.42Å; V36-L122 HydrophobicContact CG1-CD2 4.31Å
37K95.3Very high87.4Confident42 Ų4262.1 Ų62.118%0.18332%0.319CS..Hα-helixtrans-56.9-48.4175.7177.4-162.3168.2-1780111.7P33 H34 I39 V40 A41 E102 L105P33-K37 WeakPolarHBondContact O-CB 3.48Å; P33-K37 PolarHBondContact O-N 3.12Å; H34-K37 PolarHBondContact O-N 3.38Å; K37-I39 VanDerWaalsContact C-N 3.31Å; K37-I39 PolarHBondContact O-N 2.75Å; K37-V40 PolarHBondContact O-N 2.86Å; K37-A41 WeakPolarHBondContact O-CB 3.37Å; K37-A41 PolarHBondContact O-N 3.26Å; K37-E102 HydrophobicContact CD-CB 4.2Å; K37-E102 HydrophobicContact CD-CG 4.34Å; K37-E102 VanDerWaalsContact CE-CD 3.45Å; K37-E102 VanDerWaalsContact CE-OE2 3.23Å; K37-E102 WeakPolarHBondContact CE-OE2 3.48Å; K37-E102 IonicContact NZ-OE1 2.72Å; K37-E102 PolarHBondContact NZ-OE1 3.43Å; K37-E102 IonicContact NZ-OE2 3.3Å; K37-E102 PolarHBondContact NZ-OE2 2.88Å; K37-E102 VanDerWaalsContact NZ-OE2 3.14Å; K37-L105 HydrophobicContact CD-CD1 3.98Å
38S94.9Very high88.9Confident62 Ų6258.7 Ų58.743%0.43430%0.301SS..Hα-helixtrans-66.5-35-177.162.20000112.1H34 Y35 V36 A41 S42H34-S38 PolarHBondContact O-N 3.26Å; H34-S38 PolarHBondContact O-OG 3.37Å; Y35-S38 PolarHBondContact O-N 3.44Å; Y35-S38 PolarHBondContact O-OG 3.44Å; V36-S38 PolarHBondContact O-N 2.81Å; S38-A41 PolarHBondContact O-N 3.29Å; S38-S42 PolarHBondContact O-N 3.45Å; S38-S42 PolarHBondContact O-OG 3.42Å
39I95.5Very high90.4Very high18 Ų1854.4 Ų54.49%0.09228%0.282CS..Hα-helixtrans-66-48173.8-76.9173.5000111.3S14 L15 P18 Y35 V36 K37 A41 S42 T43S14-I39 WeakPolarHBondContact O-CG2 3.1Å; L15-I39 HydrophobicContact CD2-CG2 4.42Å; P18-I39 HydrophobicContact CG-CB 4.36Å; P18-I39 HydrophobicContact CG-CD1 3.54Å; P18-I39 HydrophobicContact CG-CG2 4.08Å; Y35-I39 HydrophobicContact CD1-CD1 4.23Å; Y35-I39 HydrophobicContact CD2-CD1 3.88Å; Y35-I39 HydrophobicContact CD2-CG1 4.44Å; Y35-I39 HydrophobicContact CE1-CD1 3.68Å; Y35-I39 HydrophobicContact CE2-CD1 3.25Å; Y35-I39 HydrophobicContact CE2-CG1 4.1Å; Y35-I39 HydrophobicContact CG-CD1 4.33Å; Y35-I39 PolarHBondContact O-N 3.01Å; Y35-I39 WeakPolarHBondContact OH-CD1 3.38Å; V36-I39 PolarHBondContact O-N 2.84Å; K37-I39 VanDerWaalsContact C-N 3.31Å; K37-I39 PolarHBondContact O-N 2.75Å; I39-A41 PolarHBondContact O-N 3.16Å; I39-S42 PolarHBondContact O-N 2.89Å; I39-S42 VanDerWaalsContact O-N 3.12Å; I39-S42 PolarHBondContact O-OG 3.18Å; I39-T43 HydrophobicContact CG2-CG2 4.01Å; I39-T43 WeakPolarHBondContact O-CG2 3.24Å; I39-T43 PolarHBondContact O-N 2.82Å; I39-T43 PolarHBondContact O-OG1 3.49Å
40V96.2Very high91.9Very high1 Ų146.7 Ų46.71%0.00625%0.249CC..Hα-helixtrans-61.5-34.5177.3178.50000111.4L15 V36 K37 T43 F44 L94 W98 L122 L125L15-V40 HydrophobicContact CD2-CG2 4.18Å; V36-V40 HydrophobicContact CG1-CG2 4.49Å; V36-V40 WeakPolarHBondContact O-CG2 3.31Å; V36-V40 PolarHBondContact O-N 2.9Å; K37-V40 PolarHBondContact O-N 2.86Å; V40-T43 WeakPolarHBondContact CA-OG1 3.3Å; V40-T43 PolarHBondContact O-OG1 2.98Å; V40-F44 WeakPolarHBondContact O-CB 3.46Å; V40-F44 PolarHBondContact O-N 3.33Å; V40-L94 HydrophobicContact CG1-CD2 4.3Å; V40-W98 HydrophobicContact CG1-CB 4.08Å; V40-L122 HydrophobicContact CG2-CD1 4.21Å; V40-L125 HydrophobicContact CG2-CD2 4.41Å
41A96.3Very high93.3Very high19 Ų1940 Ų4016%0.15721%0.214CC..Hα-helixtrans-67.2-41.6174.400000112.5K37 S38 I39 F44 I45 W98K37-A41 WeakPolarHBondContact O-CB 3.37Å; K37-A41 PolarHBondContact O-N 3.26Å; S38-A41 PolarHBondContact O-N 3.29Å; I39-A41 PolarHBondContact O-N 3.16Å; A41-F44 PolarHBondContact O-N 3.07Å; A41-I45 WeakPolarHBondContact O-CG1 3.29Å; A41-I45 PolarHBondContact O-N 3.08Å; A41-W98 HydrophobicContact CB-CD2 4.32Å; A41-W98 HydrophobicContact CB-CG 4.27Å
42S95.6Very high93.8Very high51 Ų5139.7 Ų39.736%0.35721%0.208SC..Hα-helixtrans-70.9-36.7176.866.20000112.1S38 I39 F44 I45 I46S38-S42 PolarHBondContact O-N 3.45Å; S38-S42 PolarHBondContact O-OG 3.42Å; I39-S42 PolarHBondContact O-N 2.89Å; I39-S42 VanDerWaalsContact O-N 3.12Å; I39-S42 PolarHBondContact O-OG 3.18Å; S42-F44 VanDerWaalsContact C-N 3.32Å; S42-F44 PolarHBondContact O-N 2.99Å; S42-I45 PolarHBondContact O-N 3.17Å; S42-I46 WeakPolarHBondContact O-CD1 3.42Å; S42-I46 VanDerWaalsContact O-CG1 3.27Å; S42-I46 WeakPolarHBondContact O-CG1 3.47Å; S42-I46 PolarHBondContact O-N 3.42Å
43T96Very high93.8Very high0 Ų041.5 Ų41.50%022%0.218CC..Hα-helixtrans-65-36175.467.50000111.9S14 L15 I39 V40 I46 S47 L94S14-T43 WeakPolarHBondContact OG-CG2 3.38Å; L15-T43 HydrophobicContact CD2-CG2 3.59Å; L15-T43 HydrophobicContact CG-CG2 3.92Å; I39-T43 HydrophobicContact CG2-CG2 4.01Å; I39-T43 WeakPolarHBondContact O-CG2 3.24Å; I39-T43 PolarHBondContact O-N 2.82Å; I39-T43 PolarHBondContact O-OG1 3.49Å; V40-T43 WeakPolarHBondContact CA-OG1 3.3Å; V40-T43 PolarHBondContact O-OG1 2.98Å; T43-I46 PolarHBondContact O-N 3.3Å; T43-S47 WeakPolarHBondContact O-CB 3.23Å; T43-S47 PolarHBondContact O-N 3.4Å; T43-L94 WeakPolarHBondContact OG1-CD2 3.41Å
44F96.3Very high93.7Very high31 Ų3141.3 Ų41.314%0.13622%0.217CC..Hα-helixtrans-60.3-46.3170.6169.1-106.2000111.8V40 A41 S42 I46 S47 L48 P91 L94 F95V40-F44 WeakPolarHBondContact O-CB 3.46Å; V40-F44 PolarHBondContact O-N 3.33Å; A41-F44 PolarHBondContact O-N 3.07Å; S42-F44 VanDerWaalsContact C-N 3.32Å; S42-F44 PolarHBondContact O-N 2.99Å; F44-I46 VanDerWaalsContact C-N 3.32Å; F44-I46 PolarHBondContact O-N 3.44Å; F44-S47 PolarHBondContact O-N 2.95Å; F44-S47 PolarHBondContact O-OG 3.45Å; F44-L48 HydrophobicContact CE1-CD1 3.89Å; F44-L48 HydrophobicContact CE2-CD1 4.48Å; F44-L48 HydrophobicContact CE2-CD2 4.1Å; F44-L48 HydrophobicContact CE2-CG 4.3Å; F44-L48 HydrophobicContact CZ-CD1 3.84Å; F44-L48 HydrophobicContact CZ-CD2 4.07Å; F44-L48 HydrophobicContact CZ-CG 4.14Å; F44-L48 PolarHBondContact O-N 3.18Å; F44-P91 HydrophobicContact CD2-CB 4.3Å; F44-P91 WeakPolarHBondContact CD2-O 3.32Å; F44-P91 HydrophobicContact CE2-CB 4.03Å; F44-L94 HydrophobicContact CB-CB 4Å; F44-L94 HydrophobicContact CD2-CB 4.21Å; F44-F95 HydrophobicContact CD2-CB 3.97Å; F44-F95 HydrophobicContact CE1-CD2 4.05Å; F44-F95 HydrophobicContact CE2-CB 3.73Å; F44-F95 AromaticContact CE2-CD2 3.95Å; F44-F95 HydrophobicContact CE2-CD2 3.95Å; F44-F95 HydrophobicContact CE2-CG 4.3Å; F44-F95 HydrophobicContact CZ-CB 4.34Å; F44-F95 AromaticContact CZ-CD2 3.66Å; F44-F95 HydrophobicContact CZ-CD2 3.66Å; F44-F95 HydrophobicContact CZ-CE2 4.48Å; F44-F95 HydrophobicContact CZ-CG 4.44Å
45I95.4Very high93.5Very high117 Ų11738.6 Ų38.660%0.621%0.205SC*.Hα-helixtrans-63.1-42178.4-65.2166.3000110.6A41 S42 S47 L48A41-I45 WeakPolarHBondContact O-CG1 3.29Å; A41-I45 PolarHBondContact O-N 3.08Å; S42-I45 PolarHBondContact O-N 3.17Å; I45-S47 VanDerWaalsContact C-N 3.31Å; I45-S47 PolarHBondContact O-N 3.16Å; I45-L48 PolarHBondContact O-N 3.23Å
46I94.4Very high93.3Very high40 Ų4039.5 Ų39.521%0.20522%0.222CC..Hα-helixtrans-62.8-39.3176.5-65.1161.2000110.6M7 L10 T11 S42 T43 F44 L48 F49 P50M7-I46 HydrophobicContact SD-CG2 4.32Å; L10-I46 HydrophobicContact CB-CG2 4.28Å; L10-I46 HydrophobicContact CD2-CD1 3.78Å; L10-I46 HydrophobicContact CD2-CG1 4.19Å; L10-I46 HydrophobicContact CD2-CG2 3.74Å; L10-I46 HydrophobicContact CG-CD1 4.38Å; L10-I46 HydrophobicContact CG-CG2 4.32Å; T11-I46 HydrophobicContact CG2-CB 4.16Å; T11-I46 HydrophobicContact CG2-CG2 3.57Å; S42-I46 WeakPolarHBondContact O-CD1 3.42Å; S42-I46 VanDerWaalsContact O-CG1 3.27Å; S42-I46 WeakPolarHBondContact O-CG1 3.47Å; S42-I46 PolarHBondContact O-N 3.42Å; T43-I46 PolarHBondContact O-N 3.3Å; F44-I46 VanDerWaalsContact C-N 3.32Å; F44-I46 PolarHBondContact O-N 3.44Å; I46-L48 VanDerWaalsContact C-N 3.29Å; I46-L48 PolarHBondContact O-N 2.64Å; I46-F49 PolarHBondContact O-N 3.44Å; I46-P50 WeakPolarHBondContact O-CD 3.19Å
47S95.1Very high93.1Very high1 Ų143.7 Ų43.71%0.00724%0.244CC..Hα-helixtrans-71.3-20.2-17874.10000114.1T11 T43 F44 I45 F49 P50 T51T11-S47 VanDerWaalsContact CG2-CA 3.47Å; T43-S47 WeakPolarHBondContact O-CB 3.23Å; T43-S47 PolarHBondContact O-N 3.4Å; F44-S47 PolarHBondContact O-N 2.95Å; F44-S47 PolarHBondContact O-OG 3.45Å; I45-S47 VanDerWaalsContact C-N 3.31Å; I45-S47 PolarHBondContact O-N 3.16Å; S47-F49 PolarHBondContact O-N 3.14Å; S47-P50 WeakPolarHBondContact O-CD 3.47Å; S47-P50 VanDerWaalsContact O-CG 3.25Å; S47-P50 WeakPolarHBondContact O-CG 3.28Å; S47-T51 WeakPolarHBondContact O-CG2 3.32Å; S47-T51 PolarHBondContact O-N 3.46Å; S47-T51 PolarHBondContact O-OG1 3.26Å
48L93.3Very high92.7Very high69 Ų6945.8 Ų45.836%0.36126%0.258SS..Hα-helixtrans-65.6-28.5172.7-68.8174000112.7F44 I45 I46 T51 T52 P91F44-L48 HydrophobicContact CE1-CD1 3.89Å; F44-L48 HydrophobicContact CE2-CD1 4.48Å; F44-L48 HydrophobicContact CE2-CD2 4.1Å; F44-L48 HydrophobicContact CE2-CG 4.3Å; F44-L48 HydrophobicContact CZ-CD1 3.84Å; F44-L48 HydrophobicContact CZ-CD2 4.07Å; F44-L48 HydrophobicContact CZ-CG 4.14Å; F44-L48 PolarHBondContact O-N 3.18Å; I45-L48 PolarHBondContact O-N 3.23Å; I46-L48 VanDerWaalsContact C-N 3.29Å; I46-L48 PolarHBondContact O-N 2.64Å; L48-T51 VanDerWaalsContact C-OG1 3.29Å; L48-T51 VanDerWaalsContact CA-OG1 3.25Å; L48-T51 WeakPolarHBondContact CA-OG1 3.03Å; L48-T51 PolarHBondContact O-N 2.78Å; L48-T51 PolarHBondContact O-OG1 3.14Å; L48-T52 WeakPolarHBondContact O-CB 3.35Å; L48-T52 VanDerWaalsContact O-CG2 3.3Å; L48-T52 WeakPolarHBondContact O-CG2 3.23Å; L48-T52 PolarHBondContact O-N 3.14Å; L48-T52 PolarHBondContact O-OG1 3.48Å; L48-P91 HydrophobicContact CD2-CB 4.21Å
49F92Very high92.3Very high67 Ų6746.5 Ų46.529%0.29425%0.254SS..Hα-helixtrans-65.1-54.7179.3-168.2-86.6000113.5M3 M7 I46 S47 T51 T52 M53M3-F49 HydrophobicContact CE-CD1 4.33Å; M3-F49 HydrophobicContact CE-CD2 4.46Å; M3-F49 HydrophobicContact CE-CE1 3.48Å; M3-F49 VanDerWaalsContact CE-CE1 3.48Å; M3-F49 HydrophobicContact CE-CE2 3.64Å; M3-F49 HydrophobicContact CE-CZ 3.09Å; M3-F49 HydrophobicContact CG-CE1 3.69Å; M3-F49 HydrophobicContact CG-CZ 4.17Å; M3-F49 HydrophobicContact SD-CE1 3.45Å; M3-F49 WeakPolarHBondContact SD-CE1 3.38Å; M3-F49 HydrophobicContact SD-CE2 4.37Å; M3-F49 HydrophobicContact SD-CZ 3.29Å; M3-F49 WeakPolarHBondContact SD-CZ 3.29Å; M7-F49 HydrophobicContact CB-CD1 4.24Å; M7-F49 HydrophobicContact CG-CD1 3.7Å; M7-F49 HydrophobicContact CG-CE1 4.34Å; M7-F49 HydrophobicContact CG-CG 4.34Å; I46-F49 PolarHBondContact O-N 3.44Å; S47-F49 PolarHBondContact O-N 3.14Å; F49-T51 VanDerWaalsContact C-N 3.25Å; F49-T51 PolarHBondContact O-N 2.87Å; F49-T52 PolarHBondContact O-N 3.06Å; F49-T52 PolarHBondContact O-OG1 3.07Å; F49-M53 HydrophobicContact CD1-CG 4.15Å; F49-M53 HydrophobicContact CE1-CG 3.65Å; F49-M53 HydrophobicContact CE1-SD 4.35Å; F49-M53 HydrophobicContact CZ-CG 4.03Å; F49-M53 HydrophobicContact CZ-SD 4.25Å; F49-M53 WeakPolarHBondContact O-CG 3.46Å; F49-M53 PolarHBondContact O-N 2.83Å; F49-M53 VanDerWaalsContact O-N 3.07Å
50P91Very high92Very high4 Ų451 Ų513%0.02627%0.274CS..Hα-helixtrans-62.9-32.917626-34.4000112T8 I46 S47 M53 F54 M87T8-P50 HydrophobicContact CG2-CB 3.5Å; T8-P50 VanDerWaalsContact CG2-CB 3.5Å; T8-P50 HydrophobicContact CG2-CG 3.91Å; I46-P50 WeakPolarHBondContact O-CD 3.19Å; S47-P50 WeakPolarHBondContact O-CD 3.47Å; S47-P50 VanDerWaalsContact O-CG 3.25Å; S47-P50 WeakPolarHBondContact O-CG 3.28Å; P50-M53 PolarHBondContact O-N 2.93Å; P50-F54 WeakPolarHBondContact O-CB 3.45Å; P50-F54 PolarHBondContact O-N 3.41Å; P50-M87 HydrophobicContact CB-CE 4.1Å; P50-M87 HydrophobicContact CB-SD 3.94Å
51T91.3Very high91.6Very high15 Ų1551.8 Ų51.89%0.09228%0.28CS..Hα-helixtrans-67.6-40.5175.555.20000113.8S47 L48 F49 M53 F54 M55 M87 P91S47-T51 WeakPolarHBondContact O-CG2 3.32Å; S47-T51 PolarHBondContact O-N 3.46Å; S47-T51 PolarHBondContact O-OG1 3.26Å; L48-T51 VanDerWaalsContact C-OG1 3.29Å; L48-T51 VanDerWaalsContact CA-OG1 3.25Å; L48-T51 WeakPolarHBondContact CA-OG1 3.03Å; L48-T51 PolarHBondContact O-N 2.78Å; L48-T51 PolarHBondContact O-OG1 3.14Å; F49-T51 VanDerWaalsContact C-N 3.25Å; F49-T51 PolarHBondContact O-N 2.87Å; T51-M53 VanDerWaalsContact C-N 3.33Å; T51-F54 PolarHBondContact O-N 3.44Å; T51-M55 WeakPolarHBondContact O-CG 3.3Å; T51-M55 PolarHBondContact O-N 3.5Å; T51-M87 HydrophobicContact CG2-CB 4.27Å; T51-M87 WeakPolarHBondContact CG2-O 3.48Å; T51-M87 HydrophobicContact CG2-SD 4.27Å; T51-P91 HydrophobicContact CG2-CG 3.33Å
52T90.4Very high91.3Very high74 Ų7454.9 Ų54.945%0.45429%0.292SS..Hα-helixtrans-67-39.3177.546.60000110.8L48 F49 F54 M55 C56L48-T52 WeakPolarHBondContact O-CB 3.35Å; L48-T52 VanDerWaalsContact O-CG2 3.3Å; L48-T52 WeakPolarHBondContact O-CG2 3.23Å; L48-T52 PolarHBondContact O-N 3.14Å; L48-T52 PolarHBondContact O-OG1 3.48Å; F49-T52 PolarHBondContact O-N 3.06Å; F49-T52 PolarHBondContact O-OG1 3.07Å; T52-F54 PolarHBondContact O-N 3.01Å; T52-M55 PolarHBondContact O-N 3.42Å; T52-C56 PolarHBondContact O-N 3.12Å; T52-C56 VanDerWaalsContact O-N 3.07Å; T52-C56 PolarHBondContact O-SG 3.41Å; T52-C56 VanDerWaalsContact O-SG 3.35Å
53M89.9Confident91.1Very high57 Ų5752.9 Ų52.928%0.28128%0.278SS..Hα-helixtrans-61-42.9172.1-71.9-69-70.800112.4F49 P50 T51 C56 L57F49-M53 HydrophobicContact CD1-CG 4.15Å; F49-M53 HydrophobicContact CE1-CG 3.65Å; F49-M53 HydrophobicContact CE1-SD 4.35Å; F49-M53 HydrophobicContact CZ-CG 4.03Å; F49-M53 HydrophobicContact CZ-SD 4.25Å; F49-M53 WeakPolarHBondContact O-CG 3.46Å; F49-M53 PolarHBondContact O-N 2.83Å; F49-M53 VanDerWaalsContact O-N 3.07Å; P50-M53 PolarHBondContact O-N 2.93Å; T51-M53 VanDerWaalsContact C-N 3.33Å; M53-C56 PolarHBondContact O-N 2.94Å; M53-L57 HydrophobicContact CE-CD1 3.92Å; M53-L57 WeakPolarHBondContact O-CB 3.44Å; M53-L57 PolarHBondContact O-N 2.99Å; M53-L57 VanDerWaalsContact O-N 3.13Å
54F90.1Very high90.7Very high6 Ų656.9 Ų56.93%0.02631%0.306CS..Hα-helixtrans-60.4-48.2174.8175.7-94.1000111P50 T51 T52 C56 L57 D58 E60 Y84 M87P50-F54 WeakPolarHBondContact O-CB 3.45Å; P50-F54 PolarHBondContact O-N 3.41Å; T51-F54 PolarHBondContact O-N 3.44Å; T52-F54 PolarHBondContact O-N 3.01Å; F54-C56 VanDerWaalsContact C-N 3.26Å; F54-C56 PolarHBondContact O-N 3.27Å; F54-L57 PolarHBondContact O-N 2.99Å; F54-D58 VanDerWaalsContact O-CA 3.31Å; F54-D58 WeakPolarHBondContact O-CA 3.44Å; F54-D58 PolarHBondContact O-N 3.43Å; F54-E60 HydrophobicContact CE2-CG 4.27Å; F54-Y84 AromaticContact CE1-CD2 3.86Å; F54-Y84 HydrophobicContact CE1-CD2 3.86Å; F54-Y84 VanDerWaalsContact CZ-CA 3.49Å; F54-Y84 HydrophobicContact CZ-CD2 4.1Å; F54-Y84 HydrophobicContact CZ-CG 4.46Å; F54-M87 HydrophobicContact CB-CB 4.31Å; F54-M87 HydrophobicContact CB-CG 3.96Å; F54-M87 HydrophobicContact CB-SD 4.38Å; F54-M87 HydrophobicContact CD1-CB 4.1Å; F54-M87 HydrophobicContact CD1-CG 4.44Å; F54-M87 HydrophobicContact CD2-CG 4.08Å; F54-M87 HydrophobicContact CG-CB 4.03Å; F54-M87 HydrophobicContact CG-CG 3.87Å
55M88.6Confident90.2Very high50 Ų5060.7 Ų60.725%0.24633%0.327CS..Hα-helixtrans-60.1-31.8178.8-66.1-76.7-141.900113.6T51 T52 M88 N471T51-M55 WeakPolarHBondContact O-CG 3.3Å; T51-M55 PolarHBondContact O-N 3.5Å; T52-M55 PolarHBondContact O-N 3.42Å; M55-M88 HydrophobicContact CE-CE 3.16Å; M55-M88 HydrophobicContact CE-SD 3.59Å; M55-M88 VanDerWaalsContact CE-SD 3.59Å; M55-M88 HydrophobicContact SD-CE 3.21Å; M55-M88 WeakPolarHBondContact SD-CE 3.27Å; M55-M88 HydrophobicContact SD-SD 4.31Å; M55-N471 HydrophobicContact CE-CB 3.33Å; M55-N471 HydrophobicContact SD-CB 3.74Å
56C88.6Confident89.9Confident105 Ų10562.4 Ų62.471%0.70933%0.327SS*.Hα-helixtrans-84.1-29.7-179.4-68.40000113.9T52 M53 F54T52-C56 PolarHBondContact O-N 3.12Å; T52-C56 VanDerWaalsContact O-N 3.07Å; T52-C56 PolarHBondContact O-SG 3.41Å; T52-C56 VanDerWaalsContact O-SG 3.35Å; M53-C56 PolarHBondContact O-N 2.94Å; F54-C56 VanDerWaalsContact C-N 3.26Å; F54-C56 PolarHBondContact O-N 3.27Å
57L88.3Confident89.8Confident89 Ų8965 Ų6547%0.46634%0.337SS..Hα-helixtrans-118.2-11.4-169-63.7173000114M53 F54 Q59M53-L57 HydrophobicContact CE-CD1 3.92Å; M53-L57 WeakPolarHBondContact O-CB 3.44Å; M53-L57 PolarHBondContact O-N 2.99Å; M53-L57 VanDerWaalsContact O-N 3.13Å; F54-L57 PolarHBondContact O-N 2.99Å; L57-Q59 HydrophobicContact CB-CB 4.34Å; L57-Q59 HydrophobicContact CB-CG 3.96Å; L57-Q59 PolarHBondContact O-N 3.38Å; L57-Q59 VanDerWaalsContact O-N 3.09Å
58D87.4Confident89.7Confident86 Ų8671.2 Ų71.246%0.4636%0.361SS..  trans47.733.9-172.4-72-45.7000113F54 S473F54-D58 VanDerWaalsContact O-CA 3.31Å; F54-D58 WeakPolarHBondContact O-CA 3.44Å; F54-D58 PolarHBondContact O-N 3.43Å; D58-S473 PolarHBondContact OD1-OG 3.47Å
59Q85.9Confident89.7Confident77 Ų7769.7 Ų69.736%0.3636%0.358SS..  trans-90.8113.6-177.6-77.5179.9-1.300111.7M1 L57M1-Q59 HydrophobicContact CE-CG 4.33Å; M1-Q59 VanDerWaalsContact CE-OE1 3.29Å; L57-Q59 HydrophobicContact CB-CB 4.34Å; L57-Q59 HydrophobicContact CB-CG 3.96Å; L57-Q59 PolarHBondContact O-N 3.38Å; L57-Q59 VanDerWaalsContact O-N 3.09Å
60E89.1Confident89.7Confident111 Ų11170.5 Ų70.552%0.51937%0.369SS..  trans-82.4140.8167.7-56.7-167.4165.500111.1F54 L82 D83F54-E60 HydrophobicContact CE2-CG 4.27Å; E60-L82 WeakPolarHBondContact CA-O 3.43Å; E60-D83 HydrophobicContact CG-CB 4.11Å
61V88.6Confident89.7Confident19 Ų1973.9 Ų73.912%0.11539%0.389CS..EExtended strand (participates in β ladder)trans-130.7141.6-179.9-177.20000110.4M1 T5 I63 L82M1-V61 HydrophobicContact SD-CG2 4.01Å; T5-V61 HydrophobicContact CG2-CG1 3.83Å; V61-I63 HydrophobicContact CG1-CG1 4.04Å; V61-L82 HydrophobicContact CB-CB 4.4Å; V61-L82 PolarHBondContact N-O 3.35Å; V61-L82 WeakPolarHBondContact O-CA 3.48Å; V61-L82 VanDerWaalsContact O-CB 3.23Å; V61-L82 WeakPolarHBondContact O-CB 3.27Å; V61-L82 PolarHBondContact O-N 3.12Å
62I91.1Very high89.7Confident83 Ų8382.4 Ų82.443%0.42643%0.428SS..EExtended strand (participates in β ladder)trans-114.3127.9170.5-54.8162000107.5F80I62-F80 WeakPolarHBondContact CA-O 3.17Å
63I90.9Very high89.6Confident9 Ų983.6 Ų83.65%0.04644%0.435CS..EExtended strand (participates in β ladder)trans-113.3100.8-179.2-57.2179.7000108.5T5 T8 T9 V61 N65 S79 F80 L82T5-I63 HydrophobicContact CG2-CD1 3.83Å; T5-I63 HydrophobicContact CG2-CG1 3.97Å; T8-I63 WeakPolarHBondContact OG1-CD1 3.23Å; T9-I63 HydrophobicContact CG2-CD1 4.41Å; V61-I63 HydrophobicContact CG1-CG1 4.04Å; I63-N65 HydrophobicContact CG2-CB 4.46Å; I63-N65 WeakPolarHBondContact CG2-ND2 3.32Å; I63-N65 WeakPolarHBondContact CG2-OD1 3.34Å; I63-S79 CarbonylContact O-C 3.5Å; I63-S79 WeakPolarHBondContact O-CA 3.15Å; I63-F80 HydrophobicContact CB-CB 4.38Å; I63-F80 PolarHBondContact N-O 3.43Å; I63-F80 PolarHBondContact O-N 2.97Å; I63-L82 HydrophobicContact CD1-CD1 3.47Å; I63-L82 VanDerWaalsContact CD1-CD1 3.47Å; I63-L82 HydrophobicContact CG1-CD1 4.06Å
64S87.9Confident89.5Confident84 Ų8481.6 Ų81.659%0.58743%0.426SS*.EExtended strand (participates in β ladder)trans-99.985.5173.3580000110
65N84.7Confident89.5Confident111 Ų11188 Ų8859%0.59446%0.456SS*.EExtended strand (participates in β ladder)trans-86.3-40-170.8-79.7-10000113.6I63 L78I63-N65 HydrophobicContact CG2-CB 4.46Å; I63-N65 WeakPolarHBondContact CG2-ND2 3.32Å; I63-N65 WeakPolarHBondContact CG2-OD1 3.34Å; N65-L78 PolarHBondContact N-O 3.44Å
66W90.1Very high89.6Confident154 Ų15486.4 Ų86.458%0.58345%0.449SS*.EExtended strand (participates in β ladder)trans-127.7116.5-170.9-172.838.1000111W68 S77 L78W66-W68 AromaticContact CH2-CD1 3.9Å; W66-W68 PolarHBondContact O-N 3.45Å; W66-S77 CarbonylContact O-C 3.59Å; W66-S77 VanDerWaalsContact O-CA 3.32Å; W66-S77 WeakPolarHBondContact O-CA 3.36Å; W66-L78 HydrophobicContact CB-CB 4.29Å; W66-L78 HydrophobicContact CE3-CD1 3.48Å; W66-L78 VanDerWaalsContact CE3-CD1 3.48Å; W66-L78 HydrophobicContact CZ3-CD1 3.91Å; W66-L78 PolarHBondContact O-N 2.83Å
67H92.6Very high89.8Confident93 Ų9383 Ų8343%0.43143%0.426SS..EExtended strand (participates in β ladder)trans-73.2114169.6-178.7-71.2000108.9A69 T70H67-A69 VanDerWaalsContact CE1-C 3.48Å; H67-T70 WeakPolarHBondContact CE1-CG2 3.49Å; H67-T70 WeakPolarHBondContact NE2-CG2 3.27Å
68W91.5Very high89.9Confident132 Ų13281.5 Ų81.550%0.542%0.418SS..EExtended strand (participates in β ladder)trans-85.6-57.6-175.2-174.743000111.8W66 L76 F138W66-W68 AromaticContact CH2-CD1 3.9Å; W66-W68 PolarHBondContact O-N 3.45Å; W68-L76 WeakPolarHBondContact CA-O 3.08Å; W68-L76 WeakPolarHBondContact CB-O 3.47Å; W68-L76 HydrophobicContact CE3-CB 3.95Å; W68-L76 HydrophobicContact CE3-CD1 3.97Å; W68-L76 HydrophobicContact CZ3-CD1 3.92Å; W68-L76 PolarHBondContact N-O 3.44Å; W68-F138 HydrophobicContact CE3-CD1 4.46Å; W68-F138 HydrophobicContact CE3-CE1 4.05Å; W68-F138 AromaticContact CH2-CE1 3.45Å; W68-F138 HydrophobicContact CH2-CE1 3.45Å; W68-F138 VanDerWaalsContact CH2-CE1 3.45Å; W68-F138 AromaticContact CH2-CZ 3.65Å; W68-F138 HydrophobicContact CH2-CZ 3.65Å; W68-F138 AromaticContact CZ3-CD1 3.81Å; W68-F138 HydrophobicContact CZ3-CD1 3.81Å; W68-F138 AromaticContact CZ3-CE1 3.11Å; W68-F138 HydrophobicContact CZ3-CE1 3.11Å; W68-F138 AromaticContact CZ3-CZ 3.66Å; W68-F138 HydrophobicContact CZ3-CZ 3.66Å
69A93.3Very high90.2Very high37 Ų3777.5 Ų77.531%0.30640%0.397SS..EExtended strand (participates in β ladder)trans-158.3148.3179.700000111.6H67 L76H67-A69 VanDerWaalsContact CE1-C 3.48Å; A69-L76 PolarHBondContact N-O 3Å; A69-L76 VanDerWaalsContact N-O 3.12Å; A69-L76 WeakPolarHBondContact O-CA 3.27Å; A69-L76 WeakPolarHBondContact O-CB 3.13Å; A69-L76 PolarHBondContact O-N 3.38Å
70T93.5Very high90.5Very high84 Ų8475.5 Ų75.552%0.51539%0.387SS..EExtended strand (participates in β ladder)trans-107.1117.8168.346.70000109.9H67 Q75H67-T70 WeakPolarHBondContact CE1-CG2 3.49Å; H67-T70 WeakPolarHBondContact NE2-CG2 3.27Å; T70-Q75 HydrophobicContact CG2-CG 3.91Å
71T90.9Very high90.7Very high75 Ų7572 Ų7246%0.4637%0.37SS..EExtended strand (participates in β ladder)trans-105.397171.639.70000109.6T73 T74T71-T73 PolarHBondContact O-N 3.35Å; T71-T74 PolarHBondContact N-O 3.24Å; T71-T74 PolarHBondContact O-N 2.97Å; T71-T74 PolarHBondContact O-OG1 3.1Å; T71-T74 VanDerWaalsContact O-OG1 3.07Å; T71-T74 PolarHBondContact OG1-OG1 3.28Å
72Q90.6Very high90.8Very high195 Ų19571.2 Ų71.291%0.91137%0.365SS*.THydrogen-bonded Turntrans54.5-93-175.3-60.4176.3-11.400112.5
73T88.8Confident90.9Very high98 Ų9867.4 Ų67.460%0.60135%0.346SS*.THydrogen-bonded Turntrans-104.7-13.8-176.750.50000113.3T71 N194T71-T73 PolarHBondContact O-N 3.35Å; T73-N194 WeakPolarHBondContact CB-ND2 3.29Å; T73-N194 PolarHBondContact OG1-ND2 3.4Å; T73-N194 PolarHBondContact OG1-OD1 2.7Å
74T87.2Confident90.9Very high15 Ų1567.7 Ų67.79%0.09235%0.347CS..EExtended strand (participates in β ladder)trans-96.8122.5179.856.10000111.4T71 I190 N194T71-T74 PolarHBondContact N-O 3.24Å; T71-T74 PolarHBondContact O-N 2.97Å; T71-T74 PolarHBondContact O-OG1 3.1Å; T71-T74 VanDerWaalsContact O-OG1 3.07Å; T71-T74 PolarHBondContact OG1-OG1 3.28Å; T74-I190 HydrophobicContact CG2-CD1 3.49Å; T74-I190 VanDerWaalsContact CG2-CD1 3.49Å; T74-N194 VanDerWaalsContact CG2-O 3.27Å; T74-N194 WeakPolarHBondContact CG2-O 3.21Å; T74-N194 VanDerWaalsContact CG2-OD1 3.25Å; T74-N194 WeakPolarHBondContact CG2-OD1 3.47Å
75Q89.6Confident91.2Very high140 Ų14064.8 Ų64.865%0.65432%0.323SS*.EExtended strand (participates in β ladder)trans-96.3114.3176.5-62-173.5-16.700109.5T70T70-Q75 HydrophobicContact CG2-CG 3.91Å
76L91.1Very high91.6Very high18 Ų1859.5 Ų59.59%0.09430%0.295CS..EExtended strand (participates in β ladder)trans-92.4113.4174.4-55.6-178.7000108.8W68 A69 W196W68-L76 WeakPolarHBondContact CA-O 3.08Å; W68-L76 WeakPolarHBondContact CB-O 3.47Å; W68-L76 HydrophobicContact CE3-CB 3.95Å; W68-L76 HydrophobicContact CE3-CD1 3.97Å; W68-L76 HydrophobicContact CZ3-CD1 3.92Å; W68-L76 PolarHBondContact N-O 3.44Å; A69-L76 PolarHBondContact N-O 3Å; A69-L76 VanDerWaalsContact N-O 3.12Å; A69-L76 WeakPolarHBondContact O-CA 3.27Å; A69-L76 WeakPolarHBondContact O-CB 3.13Å; A69-L76 PolarHBondContact O-N 3.38Å; L76-W196 HydrophobicContact CD1-CZ3 3.85Å; L76-W196 HydrophobicContact CD2-CD2 4.38Å; L76-W196 HydrophobicContact CD2-CE3 3.25Å; L76-W196 HydrophobicContact CD2-CH2 4.34Å; L76-W196 HydrophobicContact CD2-CZ3 3.24Å; L76-W196 HydrophobicContact CG-CZ3 4.19Å
77S92.2Very high91.7Very high32 Ų3252.2 Ų52.222%0.22427%0.268CS..EExtended strand (participates in β ladder)trans-119.1155172.360.80000110.9W66 S79 N136W66-S77 CarbonylContact O-C 3.59Å; W66-S77 VanDerWaalsContact O-CA 3.32Å; W66-S77 WeakPolarHBondContact O-CA 3.36Å; S77-S79 PolarHBondContact O-N 3.24Å; S77-N136 PolarHBondContact O-ND2 2.96Å
78L92.1Very high91.7Very high59 Ų5948.5 Ų48.531%0.30925%0.251SS..EExtended strand (participates in β ladder)trans-80.8102.4165.7-111.5158.5000107.7N65 W66 F80N65-L78 PolarHBondContact N-O 3.44Å; W66-L78 HydrophobicContact CB-CB 4.29Å; W66-L78 HydrophobicContact CE3-CD1 3.48Å; W66-L78 VanDerWaalsContact CE3-CD1 3.48Å; W66-L78 HydrophobicContact CZ3-CD1 3.91Å; W66-L78 PolarHBondContact O-N 2.83Å; L78-F80 HydrophobicContact CD2-CE2 4.48Å; L78-F80 HydrophobicContact CD2-CZ 3.97Å
79S92.4Very high91.9Very high2 Ų242.2 Ų42.21%0.01423%0.227CC..EExtended strand (participates in β ladder)trans-124.5118.9-168.455.10000110.6I63 S77 N135 N136 Q139I63-S79 CarbonylContact O-C 3.5Å; I63-S79 WeakPolarHBondContact O-CA 3.15Å; S77-S79 PolarHBondContact O-N 3.24Å; S79-N135 WeakPolarHBondContact O-CB 3.44Å; S79-N135 PolarHBondContact O-N 3.49Å; S79-N135 WeakPolarHBondContact OG-CB 3.33Å; S79-N136 PolarHBondContact OG-ND2 2.92Å; S79-N136 VanDerWaalsContact OG-ND2 3.15Å; S79-N136 PolarHBondContact OG-OD1 3.2Å; S79-Q139 PolarHBondContact O-OE1 3.43Å; S79-Q139 VanDerWaalsContact O-OE1 3.06Å
80F92.7Very high92Very high35 Ų3541 Ų4115%0.15422%0.215CC..EExtended strand (participates in β ladder)trans-100.6118.9177.9-59.5-71.9000110.2L12 I62 I63 L78 T133L12-F80 HydrophobicContact CD1-CD1 3.84Å; L12-F80 HydrophobicContact CD1-CD2 4.34Å; L12-F80 HydrophobicContact CD1-CE1 3.77Å; L12-F80 HydrophobicContact CD1-CE2 4.29Å; L12-F80 HydrophobicContact CD1-CG 4.11Å; L12-F80 HydrophobicContact CD1-CZ 4.01Å; I62-F80 WeakPolarHBondContact CA-O 3.17Å; I63-F80 HydrophobicContact CB-CB 4.38Å; I63-F80 PolarHBondContact N-O 3.43Å; I63-F80 PolarHBondContact O-N 2.97Å; L78-F80 HydrophobicContact CD2-CE2 4.48Å; L78-F80 HydrophobicContact CD2-CZ 3.97Å; F80-T133 CarbonylContact C-O 3.43Å; F80-T133 VanDerWaalsContact CA-O 3.24Å; F80-T133 WeakPolarHBondContact CA-O 3.35Å; F80-T133 WeakPolarHBondContact CD1-OG1 3.47Å
81K92.3Very high92.1Very high36 Ų3637.5 Ų37.516%0.15719%0.194CC..EExtended strand (participates in β ladder)trans-89.7114.7172-175.2174.9-179.6-171.40109.2D83 S86 T133 N135K81-D83 WeakPolarHBondContact CE-OD2 3.39Å; K81-D83 HydrophobicContact CG-CB 4.29Å; K81-D83 IonicContact NZ-OD2 3.39Å; K81-D83 PolarHBondContact NZ-OD2 3.05Å; K81-S86 PolarHBondContact O-OG 2.95Å; K81-T133 PolarHBondContact N-O 3.4Å; K81-N135 HydrophobicContact CB-CB 3.87Å
82L92.1Very high92.3Very high3 Ų334.4 Ų34.42%0.01618%0.175CC..EExtended strand (participates in β ladder)trans-106.676.5179.7-63.5177.7000110T8 E60 V61 I63 S86 M87T8-L82 HydrophobicContact CG2-CD1 3.44Å; T8-L82 VanDerWaalsContact CG2-CD1 3.44Å; T8-L82 HydrophobicContact CG2-CD2 4.11Å; T8-L82 HydrophobicContact CG2-CG 4.39Å; T8-L82 WeakPolarHBondContact OG1-CD1 3.47Å; E60-L82 WeakPolarHBondContact CA-O 3.43Å; V61-L82 HydrophobicContact CB-CB 4.4Å; V61-L82 PolarHBondContact N-O 3.35Å; V61-L82 WeakPolarHBondContact O-CA 3.48Å; V61-L82 VanDerWaalsContact O-CB 3.23Å; V61-L82 WeakPolarHBondContact O-CB 3.27Å; V61-L82 PolarHBondContact O-N 3.12Å; I63-L82 HydrophobicContact CD1-CD1 3.47Å; I63-L82 VanDerWaalsContact CD1-CD1 3.47Å; I63-L82 HydrophobicContact CG1-CD1 4.06Å; L82-S86 VanDerWaalsContact CA-OG 3.26Å; L82-S86 WeakPolarHBondContact CA-OG 3.39Å; L82-M87 HydrophobicContact CB-CE 3.52Å; L82-M87 HydrophobicContact CD1-CE 4Å; L82-M87 HydrophobicContact CD2-CE 3.89Å; L82-M87 HydrophobicContact CG-CE 3.99Å
83D92Very high92.6Very high4 Ų425.2 Ų25.22%0.02113%0.132CC..SBendtrans-109.4-178.2176.166.8-12000112.3E60 K81 F85 S86 M87 R262E60-D83 HydrophobicContact CG-CB 4.11Å; K81-D83 WeakPolarHBondContact CE-OD2 3.39Å; K81-D83 HydrophobicContact CG-CB 4.29Å; K81-D83 IonicContact NZ-OD2 3.39Å; K81-D83 PolarHBondContact NZ-OD2 3.05Å; D83-F85 PolarHBondContact O-N 3.45Å; D83-F85 VanDerWaalsContact O-N 3.15Å; D83-S86 PolarHBondContact N-OG 3.32Å; D83-S86 PolarHBondContact O-N 3Å; D83-S86 PolarHBondContact O-OG 3.43Å; D83-S86 PolarHBondContact OD1-N 3.49Å; D83-S86 PolarHBondContact OD1-OG 2.99Å; D83-M87 WeakPolarHBondContact O-CB 3.43Å; D83-M87 WeakPolarHBondContact O-CG 3.02Å; D83-M87 PolarHBondContact O-N 3.47Å; D83-R262 IonicContact OD1-CZ 2.67Å; D83-R262 VanDerWaalsContact OD1-CZ 3.26Å; D83-R262 IonicContact OD1-NH1 3.36Å; D83-R262 PolarHBondContact OD1-NH1 2.92Å; D83-R262 IonicContact OD1-NH2 3.18Å; D83-R262 PolarHBondContact OD1-NH2 3.45Å; D83-R262 IonicContact OD2-CZ 3.09Å; D83-R262 IonicContact OD2-NH1 2.53Å; D83-R262 PolarHBondContact OD2-NH1 3.01Å
84Y91.6Very high92.9Very high15 Ų1520.6 Ų20.66%0.05910%0.104CC..Hα-helixtrans-41.4-50.7176.3173.8-102.1000113.4F54 M87 M88 H323 F326 I472F54-Y84 AromaticContact CE1-CD2 3.86Å; F54-Y84 HydrophobicContact CE1-CD2 3.86Å; F54-Y84 VanDerWaalsContact CZ-CA 3.49Å; F54-Y84 HydrophobicContact CZ-CD2 4.1Å; F54-Y84 HydrophobicContact CZ-CG 4.46Å; Y84-M87 PolarHBondContact O-N 3.34Å; Y84-M88 HydrophobicContact CD2-CE 4.21Å; Y84-M88 HydrophobicContact CD2-CG 4.25Å; Y84-M88 HydrophobicContact CE2-CE 3.74Å; Y84-M88 HydrophobicContact CE2-CG 3.99Å; Y84-M88 WeakPolarHBondContact O-CB 3.38Å; Y84-M88 WeakPolarHBondContact O-CG 3.32Å; Y84-M88 PolarHBondContact O-N 3.37Å; Y84-M88 VanDerWaalsContact O-N 3.09Å; Y84-H323 AromaticContact CE1-CD2 3.97Å; Y84-F326 HydrophobicContact CD1-CD1 4.27Å; Y84-F326 HydrophobicContact CD1-CE1 4.38Å; Y84-F326 AromaticContact CE1-CD1 3.46Å; Y84-F326 HydrophobicContact CE1-CD1 3.46Å; Y84-F326 VanDerWaalsContact CE1-CD1 3.46Å; Y84-F326 AromaticContact CE1-CE1 3.81Å; Y84-F326 HydrophobicContact CE1-CE1 3.81Å; Y84-F326 HydrophobicContact CE1-CG 4.36Å; Y84-I472 HydrophobicContact CE2-CB 4.31Å; Y84-I472 HydrophobicContact CE2-CD1 4.45Å; Y84-I472 HydrophobicContact CE2-CG1 3.86Å; Y84-I472 HydrophobicContact CE2-CG2 3.64Å; Y84-I472 WeakPolarHBondContact OH-CD1 3.4Å; Y84-I472 WeakPolarHBondContact OH-CG1 3.47Å
85F93.5Very high93.4Very high22 Ų2221.3 Ų21.310%0.09611%0.106CC..Hα-helixtrans-64.9-44.7-177-58.7-56.3000112.4D83 F89 F258 I261 F326D83-F85 PolarHBondContact O-N 3.45Å; D83-F85 VanDerWaalsContact O-N 3.15Å; F85-F89 WeakPolarHBondContact O-CB 3.45Å; F85-F89 PolarHBondContact O-N 3.18Å; F85-F258 HydrophobicContact CB-CE2 3.94Å; F85-F258 HydrophobicContact CB-CZ 4.37Å; F85-I261 HydrophobicContact CD1-CG2 3.72Å; F85-I261 HydrophobicContact CD2-CG2 4.28Å; F85-I261 HydrophobicContact CE1-CG2 3.29Å; F85-I261 HydrophobicContact CE2-CG2 3.89Å; F85-I261 HydrophobicContact CG-CG2 4.21Å; F85-I261 HydrophobicContact CZ-CG2 3.38Å; F85-F326 HydrophobicContact CB-CD2 4.42Å; F85-F326 HydrophobicContact CB-CE2 4.08Å; F85-F326 HydrophobicContact CB-CZ 4.36Å; F85-F326 HydrophobicContact CD1-CB 4.01Å; F85-F326 AromaticContact CD1-CD1 3.93Å; F85-F326 HydrophobicContact CD1-CD1 3.93Å; F85-F326 AromaticContact CD1-CD2 3.63Å; F85-F326 HydrophobicContact CD1-CD2 3.63Å; F85-F326 HydrophobicContact CD1-CE1 4.33Å; F85-F326 HydrophobicContact CD1-CE2 4.07Å; F85-F326 AromaticContact CD1-CG 3.56Å; F85-F326 HydrophobicContact CD1-CG 3.56Å; F85-F326 HydrophobicContact CD1-CZ 4.4Å; F85-F326 HydrophobicContact CE1-CB 3.98Å; F85-F326 HydrophobicContact CE1-CD1 4.46Å; F85-F326 HydrophobicContact CE1-CD2 4.43Å; F85-F326 HydrophobicContact CE1-CG 4.03Å; F85-F326 HydrophobicContact CG-CD2 4.46Å; F85-F326 WeakPolarHBondContact O-CE2 3.25Å; F85-F326 WeakPolarHBondContact O-CZ 3.45Å
86S93.5Very high93.8Very high0 Ų014.6 Ų14.60%07%0.074CC..Hα-helixtrans-69.9-43.5178.765.10000112.1K81 L82 D83 M88 F89 I90K81-S86 PolarHBondContact O-OG 2.95Å; L82-S86 VanDerWaalsContact CA-OG 3.26Å; L82-S86 WeakPolarHBondContact CA-OG 3.39Å; D83-S86 PolarHBondContact N-OG 3.32Å; D83-S86 PolarHBondContact O-N 3Å; D83-S86 PolarHBondContact O-OG 3.43Å; D83-S86 PolarHBondContact OD1-N 3.49Å; D83-S86 PolarHBondContact OD1-OG 2.99Å; S86-M88 PolarHBondContact O-N 2.91Å; S86-F89 PolarHBondContact O-N 3.38Å; S86-I90 WeakPolarHBondContact O-CD1 3.42Å; S86-I90 WeakPolarHBondContact O-CG1 3.43Å; S86-I90 PolarHBondContact O-N 3.21Å
87M92.6Very high94Very high2 Ų213.8 Ų13.81%0.017%0.07CC..Hα-helixtrans-61-50.3-176.6-78.8-64.6162.200110.6H4 T8 P50 T51 F54 L82 D83 Y84 F89 P91H4-M87 WeakPolarHBondContact CE1-CE 3.36Å; H4-M87 WeakPolarHBondContact NE2-CE 3.37Å; T8-M87 HydrophobicContact CG2-CE 3.75Å; P50-M87 HydrophobicContact CB-CE 4.1Å; P50-M87 HydrophobicContact CB-SD 3.94Å; T51-M87 HydrophobicContact CG2-CB 4.27Å; T51-M87 WeakPolarHBondContact CG2-O 3.48Å; T51-M87 HydrophobicContact CG2-SD 4.27Å; F54-M87 HydrophobicContact CB-CB 4.31Å; F54-M87 HydrophobicContact CB-CG 3.96Å; F54-M87 HydrophobicContact CB-SD 4.38Å; F54-M87 HydrophobicContact CD1-CB 4.1Å; F54-M87 HydrophobicContact CD1-CG 4.44Å; F54-M87 HydrophobicContact CD2-CG 4.08Å; F54-M87 HydrophobicContact CG-CB 4.03Å; F54-M87 HydrophobicContact CG-CG 3.87Å; L82-M87 HydrophobicContact CB-CE 3.52Å; L82-M87 HydrophobicContact CD1-CE 4Å; L82-M87 HydrophobicContact CD2-CE 3.89Å; L82-M87 HydrophobicContact CG-CE 3.99Å; D83-M87 WeakPolarHBondContact O-CB 3.43Å; D83-M87 WeakPolarHBondContact O-CG 3.02Å; D83-M87 PolarHBondContact O-N 3.47Å; Y84-M87 PolarHBondContact O-N 3.34Å; M87-F89 PolarHBondContact O-N 3.49Å; M87-P91 WeakPolarHBondContact O-CD 3.29Å
88M92.9Very high94.3Very high14 Ų1414.8 Ų14.87%0.0697%0.069CC..Hα-helixtrans-68.3-37.8179.5-67.1-66.1-173.400113M55 Y84 S86 V92 F326 I472M55-M88 HydrophobicContact CE-CE 3.16Å; M55-M88 HydrophobicContact CE-SD 3.59Å; M55-M88 VanDerWaalsContact CE-SD 3.59Å; M55-M88 HydrophobicContact SD-CE 3.21Å; M55-M88 WeakPolarHBondContact SD-CE 3.27Å; M55-M88 HydrophobicContact SD-SD 4.31Å; Y84-M88 HydrophobicContact CD2-CE 4.21Å; Y84-M88 HydrophobicContact CD2-CG 4.25Å; Y84-M88 HydrophobicContact CE2-CE 3.74Å; Y84-M88 HydrophobicContact CE2-CG 3.99Å; Y84-M88 WeakPolarHBondContact O-CB 3.38Å; Y84-M88 WeakPolarHBondContact O-CG 3.32Å; Y84-M88 PolarHBondContact O-N 3.37Å; Y84-M88 VanDerWaalsContact O-N 3.09Å; S86-M88 PolarHBondContact O-N 2.91Å; M88-V92 WeakPolarHBondContact O-CG2 3.43Å; M88-F326 HydrophobicContact CB-CE1 3.52Å; M88-F326 HydrophobicContact CB-CZ 3.72Å; M88-F326 HydrophobicContact CG-CE1 4.15Å; M88-I472 HydrophobicContact CE-CG1 3.62Å
89F94.9Very high94.5Very high1 Ų112 Ų120%0.0045%0.054CC..Hα-helixtrans-75.4-36.3-173.1-174-90.7000113.2F85 S86 M87 V92 A93 M128 V132 S250 V254 F326 I329F85-F89 WeakPolarHBondContact O-CB 3.45Å; F85-F89 PolarHBondContact O-N 3.18Å; S86-F89 PolarHBondContact O-N 3.38Å; M87-F89 PolarHBondContact O-N 3.49Å; F89-V92 PolarHBondContact O-N 3.31Å; F89-A93 HydrophobicContact CD1-CB 4.11Å; F89-A93 HydrophobicContact CE1-CB 3.72Å; F89-A93 HydrophobicContact CZ-CB 4.26Å; F89-A93 WeakPolarHBondContact O-CB 3.37Å; F89-A93 PolarHBondContact O-N 3.06Å; F89-M128 HydrophobicContact CE1-CE 3.72Å; F89-M128 HydrophobicContact CE1-CG 4.32Å; F89-M128 HydrophobicContact CZ-CE 3.54Å; F89-V132 HydrophobicContact CB-CG1 4.09Å; F89-V132 HydrophobicContact CD1-CB 4.12Å; F89-V132 HydrophobicContact CD1-CG1 3.7Å; F89-V132 HydrophobicContact CD1-CG2 3.47Å; F89-V132 VanDerWaalsContact CD1-CG2 3.47Å; F89-V132 HydrophobicContact CE1-CB 4.49Å; F89-V132 HydrophobicContact CE1-CG2 3.43Å; F89-V132 VanDerWaalsContact CE1-CG2 3.43Å; F89-V132 HydrophobicContact CG-CG1 4.19Å; F89-V132 HydrophobicContact CG-CG2 4.35Å; F89-V132 HydrophobicContact CZ-CG2 4.3Å; F89-S250 WeakPolarHBondContact CE2-O 3.24Å; F89-S250 WeakPolarHBondContact CZ-O 3.33Å; F89-V254 HydrophobicContact CE2-CG1 4.39Å; F89-F326 HydrophobicContact CB-CE2 4.04Å; F89-F326 HydrophobicContact CB-CZ 3.94Å; F89-F326 HydrophobicContact CD2-CE2 4.42Å; F89-I329 HydrophobicContact CD2-CG2 4.17Å; F89-I329 HydrophobicContact CE2-CG2 3.99Å
90I94.9Very high94.7Very high10 Ų1011.9 Ų11.95%0.0515%0.054CC..Hα-helixtrans-58-51.1-176.2-68.4162.2000112.1S86 V92 A93 L94 L129 T133S86-I90 WeakPolarHBondContact O-CD1 3.42Å; S86-I90 WeakPolarHBondContact O-CG1 3.43Å; S86-I90 PolarHBondContact O-N 3.21Å; I90-V92 PolarHBondContact O-N 3.16Å; I90-A93 PolarHBondContact O-N 3.4Å; I90-L94 HydrophobicContact CG2-CD1 3.72Å; I90-L94 HydrophobicContact CG2-CG 4.43Å; I90-L94 WeakPolarHBondContact O-CB 3.35Å; I90-L94 VanDerWaalsContact O-CG 3.29Å; I90-L94 WeakPolarHBondContact O-CG 3.48Å; I90-L94 PolarHBondContact O-N 3.11Å; I90-L129 HydrophobicContact CB-CD2 4.29Å; I90-L129 HydrophobicContact CG1-CD2 3.91Å; I90-L129 HydrophobicContact CG2-CD2 4.05Å; I90-T133 HydrophobicContact CD1-CG2 3.64Å; I90-T133 HydrophobicContact CG1-CG2 4.33Å
91P95.4Very high94.9Very high12 Ų1210.3 Ų10.38%0.0785%0.047CC..Hα-helixtrans-64.5-37.1176.3-18.629.2000113F44 L48 T51 M87 L94 F95F44-P91 HydrophobicContact CD2-CB 4.3Å; F44-P91 WeakPolarHBondContact CD2-O 3.32Å; F44-P91 HydrophobicContact CE2-CB 4.03Å; L48-P91 HydrophobicContact CD2-CB 4.21Å; T51-P91 HydrophobicContact CG2-CG 3.33Å; M87-P91 WeakPolarHBondContact O-CD 3.29Å; P91-L94 PolarHBondContact O-N 3.22Å; P91-F95 WeakPolarHBondContact O-CB 3.05Å; P91-F95 PolarHBondContact O-N 3.29Å
92V96.3Very high95.1Very high10 Ų108.9 Ų8.96%0.0614%0.041CC..Hα-helixtrans-62.2-48177.7174.30000110.3M88 F89 I90 F95 V96 C330 A333 F334M88-V92 WeakPolarHBondContact O-CG2 3.43Å; F89-V92 PolarHBondContact O-N 3.31Å; I90-V92 PolarHBondContact O-N 3.16Å; V92-F95 PolarHBondContact O-N 3.27Å; V92-V96 WeakPolarHBondContact O-CG2 3.4Å; V92-V96 PolarHBondContact O-N 3.11Å; V92-C330 HydrophobicContact CG2-CB 4.32Å; V92-A333 HydrophobicContact CG1-CB 3.71Å; V92-F334 HydrophobicContact CG1-CE2 3.99Å; V92-F334 HydrophobicContact CG1-CZ 4.19Å; V92-F334 HydrophobicContact CG2-CE2 4.11Å; V92-F334 HydrophobicContact CG2-CZ 4.14Å
93A96.1Very high95.4Very high2 Ų28.8 Ų8.82%0.0174%0.04CC..Hα-helixtrans-62.3-44.7177.100000111.8F89 I90 T97F89-A93 HydrophobicContact CD1-CB 4.11Å; F89-A93 HydrophobicContact CE1-CB 3.72Å; F89-A93 HydrophobicContact CZ-CB 4.26Å; F89-A93 WeakPolarHBondContact O-CB 3.37Å; F89-A93 PolarHBondContact O-N 3.06Å; I90-A93 PolarHBondContact O-N 3.4Å; A93-T97 WeakPolarHBondContact O-CB 3.46Å; A93-T97 VanDerWaalsContact O-CG2 3.26Å; A93-T97 WeakPolarHBondContact O-CG2 3.21Å; A93-T97 PolarHBondContact O-N 3.37Å; A93-T97 PolarHBondContact O-OG1 3.02Å
94L96.5Very high95.6Very high0 Ų08.6 Ų8.60%04%0.039CC..Hα-helixtrans-65.8-38.5178-72171.6000112.7L15 V40 T43 F44 I90 P91 T97 W98 L125 L129L15-L94 HydrophobicContact CD1-CD2 4.41Å; V40-L94 HydrophobicContact CG1-CD2 4.3Å; T43-L94 WeakPolarHBondContact OG1-CD2 3.41Å; F44-L94 HydrophobicContact CB-CB 4Å; F44-L94 HydrophobicContact CD2-CB 4.21Å; I90-L94 HydrophobicContact CG2-CD1 3.72Å; I90-L94 HydrophobicContact CG2-CG 4.43Å; I90-L94 WeakPolarHBondContact O-CB 3.35Å; I90-L94 VanDerWaalsContact O-CG 3.29Å; I90-L94 WeakPolarHBondContact O-CG 3.48Å; I90-L94 PolarHBondContact O-N 3.11Å; P91-L94 PolarHBondContact O-N 3.22Å; L94-T97 WeakPolarHBondContact CA-OG1 3.4Å; L94-T97 PolarHBondContact O-OG1 3.11Å; L94-T97 VanDerWaalsContact O-OG1 3.06Å; L94-W98 VanDerWaalsContact O-CB 3.27Å; L94-W98 WeakPolarHBondContact O-CB 3.23Å; L94-W98 PolarHBondContact O-N 3.23Å; L94-L125 HydrophobicContact CD2-CD1 4.15Å; L94-L125 HydrophobicContact CD2-CD2 3.88Å; L94-L125 HydrophobicContact CD2-CG 4.47Å; L94-L129 HydrophobicContact CD2-CD1 4.32Å
95F96.9Very high95.8Very high30 Ų308.7 Ų8.713%0.1324%0.041CC..Hα-helixtrans-65.4-47.2176.9-175.8-95.2000112F44 P91 V92 W98 S99 F334 R456 L457F44-F95 HydrophobicContact CD2-CB 3.97Å; F44-F95 HydrophobicContact CE1-CD2 4.05Å; F44-F95 HydrophobicContact CE2-CB 3.73Å; F44-F95 AromaticContact CE2-CD2 3.95Å; F44-F95 HydrophobicContact CE2-CD2 3.95Å; F44-F95 HydrophobicContact CE2-CG 4.3Å; F44-F95 HydrophobicContact CZ-CB 4.34Å; F44-F95 AromaticContact CZ-CD2 3.66Å; F44-F95 HydrophobicContact CZ-CD2 3.66Å; F44-F95 HydrophobicContact CZ-CE2 4.48Å; F44-F95 HydrophobicContact CZ-CG 4.44Å; P91-F95 WeakPolarHBondContact O-CB 3.05Å; P91-F95 PolarHBondContact O-N 3.29Å; V92-F95 PolarHBondContact O-N 3.27Å; F95-W98 HydrophobicContact CD2-CE3 4.18Å; F95-W98 HydrophobicContact CD2-CZ3 4.36Å; F95-W98 HydrophobicContact CE2-CE3 4.36Å; F95-W98 HydrophobicContact CE2-CZ3 4.18Å; F95-W98 PolarHBondContact O-N 3.35Å; F95-S99 PolarHBondContact O-N 2.9Å; F95-S99 VanDerWaalsContact O-N 3.14Å; F95-F334 AromaticContact CD1-CD1 3.99Å; F95-F334 HydrophobicContact CD1-CD1 3.99Å; F95-F334 AromaticContact CD1-CE1 3.43Å; F95-F334 HydrophobicContact CD1-CE1 3.43Å; F95-F334 VanDerWaalsContact CD1-CE1 3.43Å; F95-F334 HydrophobicContact CD1-CZ 4.48Å; F95-F334 AromaticContact CE1-CD1 3.99Å; F95-F334 HydrophobicContact CE1-CD1 3.99Å; F95-F334 AromaticContact CE1-CE1 3.68Å; F95-F334 HydrophobicContact CE1-CE1 3.68Å; F95-F334 HydrophobicContact CG-CE1 4.29Å; F95-R456 HydrophobicContact CZ-CB 3.94Å; F95-L457 HydrophobicContact CD1-CD2 4.11Å; F95-L457 HydrophobicContact CE1-CD2 3.91Å
96V97.1Very high95.9Very high0 Ų09 Ų90%04%0.041CC..Hα-helixtrans-63.7-46.8177.5171.40000110.1V92 W98 S99 I100 A333 A337 L457V92-V96 WeakPolarHBondContact O-CG2 3.4Å; V92-V96 PolarHBondContact O-N 3.11Å; V96-W98 PolarHBondContact O-N 3.24Å; V96-S99 PolarHBondContact O-N 3.21Å; V96-S99 VanDerWaalsContact O-N 3.14Å; V96-S99 PolarHBondContact O-OG 2.8Å; V96-I100 HydrophobicContact CG1-CD1 3.65Å; V96-I100 HydrophobicContact CG1-CG1 4.36Å; V96-I100 WeakPolarHBondContact O-CG1 3.09Å; V96-I100 PolarHBondContact O-N 3.07Å; V96-A333 HydrophobicContact CG2-CB 4.2Å; V96-A337 HydrophobicContact CG1-CB 3.64Å; V96-L457 HydrophobicContact CG2-CD2 4.12Å
97T96.4Very high96Very high1 Ų19.7 Ų9.71%0.0064%0.044CC..Hα-helixtrans-66.3-34.3178.954.10000113.4A93 L94 S99 I100 M101 L125 L246A93-T97 WeakPolarHBondContact O-CB 3.46Å; A93-T97 VanDerWaalsContact O-CG2 3.26Å; A93-T97 WeakPolarHBondContact O-CG2 3.21Å; A93-T97 PolarHBondContact O-N 3.37Å; A93-T97 PolarHBondContact O-OG1 3.02Å; L94-T97 WeakPolarHBondContact CA-OG1 3.4Å; L94-T97 PolarHBondContact O-OG1 3.11Å; L94-T97 VanDerWaalsContact O-OG1 3.06Å; T97-S99 VanDerWaalsContact C-N 3.32Å; T97-S99 PolarHBondContact O-N 3.3Å; T97-I100 PolarHBondContact O-N 3.32Å; T97-M101 WeakPolarHBondContact O-CB 3.34Å; T97-M101 WeakPolarHBondContact O-CG 3.3Å; T97-M101 PolarHBondContact O-N 3.49Å; T97-L125 HydrophobicContact CG2-CD1 3.32Å; T97-L125 VanDerWaalsContact OG1-CD1 3.24Å; T97-L125 WeakPolarHBondContact OG1-CD1 3.35Å; T97-L246 HydrophobicContact CG2-CD1 3.59Å; T97-L246 HydrophobicContact CG2-CG 4.15Å
98W97.3Very high96.1Very high53 Ų539.7 Ų9.720%0.2014%0.044CC..Hα-helixtrans-58.7-43.9170.8171.940.7000111.8V40 A41 L94 F95 V96 E102V40-W98 HydrophobicContact CG1-CB 4.08Å; A41-W98 HydrophobicContact CB-CD2 4.32Å; A41-W98 HydrophobicContact CB-CG 4.27Å; L94-W98 VanDerWaalsContact O-CB 3.27Å; L94-W98 WeakPolarHBondContact O-CB 3.23Å; L94-W98 PolarHBondContact O-N 3.23Å; F95-W98 HydrophobicContact CD2-CE3 4.18Å; F95-W98 HydrophobicContact CD2-CZ3 4.36Å; F95-W98 HydrophobicContact CE2-CE3 4.36Å; F95-W98 HydrophobicContact CE2-CZ3 4.18Å; F95-W98 PolarHBondContact O-N 3.35Å; V96-W98 PolarHBondContact O-N 3.24Å; W98-E102 PolarHBondContact O-N 2.91Å; W98-E102 VanDerWaalsContact O-N 3.12Å
99S97.4Very high96Very high0 Ų015.2 Ų15.20%07%0.074CC..Hα-helixtrans-64.2-41.8175.872.10000112.8F95 V96 T97 E102 F103 P453 L457F95-S99 PolarHBondContact O-N 2.9Å; F95-S99 VanDerWaalsContact O-N 3.14Å; V96-S99 PolarHBondContact O-N 3.21Å; V96-S99 VanDerWaalsContact O-N 3.14Å; V96-S99 PolarHBondContact O-OG 2.8Å; T97-S99 VanDerWaalsContact C-N 3.32Å; T97-S99 PolarHBondContact O-N 3.3Å; S99-E102 PolarHBondContact O-N 3.33Å; S99-F103 WeakPolarHBondContact O-CB 3.37Å; S99-F103 PolarHBondContact O-N 3.39Å; S99-P453 WeakPolarHBondContact O-CB 3.26Å; S99-L457 WeakPolarHBondContact OG-CD1 3.29Å; S99-L457 WeakPolarHBondContact OG-CG 3.39Å
100I97.3Very high95.9Very high0 Ų019.9 Ų19.90%011%0.107CC..Hα-helixtrans-68.5-41.7179.6-64.8171000111.3V96 T97 E102 F103 S104 L121 P242 A245 L246V96-I100 HydrophobicContact CG1-CD1 3.65Å; V96-I100 HydrophobicContact CG1-CG1 4.36Å; V96-I100 WeakPolarHBondContact O-CG1 3.09Å; V96-I100 PolarHBondContact O-N 3.07Å; T97-I100 PolarHBondContact O-N 3.32Å; I100-E102 VanDerWaalsContact C-N 3.3Å; I100-E102 PolarHBondContact O-N 2.86Å; I100-F103 PolarHBondContact O-N 3.48Å; I100-S104 PolarHBondContact O-N 2.72Å; I100-S104 PolarHBondContact O-OG 3Å; I100-L121 HydrophobicContact CG2-CD1 4.18Å; I100-P242 HydrophobicContact CG2-CB 3.89Å; I100-P242 WeakPolarHBondContact CG2-O 3.28Å; I100-A245 HydrophobicContact CD1-CB 4.05Å; I100-A245 HydrophobicContact CG1-CB 4.28Å; I100-L246 HydrophobicContact CD1-CB 3.66Å; I100-L246 HydrophobicContact CD1-CD1 4.26Å; I100-L246 HydrophobicContact CD1-CG 4.05Å; I100-L246 HydrophobicContact CG2-CB 4.43Å; I100-L246 HydrophobicContact CG2-CD1 4.4Å
101M95.9Very high95.8Very high1 Ų121.1 Ų21.11%0.00511%0.113CC..Hα-helixtrans-62.5-36.4176.1-74.7-74.1-14900111.9V36 T97 S104 F118 L121 L122V36-M101 HydrophobicContact CG1-CE 3.28Å; V36-M101 HydrophobicContact CG1-SD 4.14Å; T97-M101 WeakPolarHBondContact O-CB 3.34Å; T97-M101 WeakPolarHBondContact O-CG 3.3Å; T97-M101 PolarHBondContact O-N 3.49Å; M101-S104 WeakPolarHBondContact CA-OG 3.27Å; M101-S104 PolarHBondContact O-OG 3.24Å; M101-F118 HydrophobicContact CB-CE1 4.12Å; M101-F118 HydrophobicContact CE-CD1 4.23Å; M101-F118 HydrophobicContact CG-CE1 4.48Å; M101-F118 WeakPolarHBondContact O-CE1 3.04Å; M101-F118 VanDerWaalsContact O-CZ 3.29Å; M101-F118 WeakPolarHBondContact O-CZ 3.14Å; M101-F118 HydrophobicContact SD-CD1 3.28Å; M101-F118 WeakPolarHBondContact SD-CD1 3.48Å; M101-F118 HydrophobicContact SD-CE1 3.53Å; M101-F118 VanDerWaalsContact SD-CE1 3.53Å; M101-F118 HydrophobicContact SD-CG 4.18Å; M101-L121 HydrophobicContact CE-CB 3.99Å; M101-L121 HydrophobicContact CE-CD2 3.51Å; M101-L121 HydrophobicContact CE-CG 4.25Å; M101-L121 HydrophobicContact CG-CD2 3.97Å; M101-L121 HydrophobicContact SD-CB 4.22Å; M101-L121 HydrophobicContact SD-CD1 4.04Å; M101-L121 HydrophobicContact SD-CD2 3.64Å; M101-L121 HydrophobicContact SD-CG 4.18Å; M101-L122 HydrophobicContact CE-CB 4.15Å
102E97.1Very high95.5Very high7 Ų726.2 Ų26.23%0.03315%0.146CC..Hα-helixtrans-71.2-41.3173.9-174.6163.4-165.500112.1K37 W98 S99 I100 S104 L105 P453 R456K37-E102 HydrophobicContact CD-CB 4.2Å; K37-E102 HydrophobicContact CD-CG 4.34Å; K37-E102 VanDerWaalsContact CE-CD 3.45Å; K37-E102 VanDerWaalsContact CE-OE2 3.23Å; K37-E102 WeakPolarHBondContact CE-OE2 3.48Å; K37-E102 IonicContact NZ-OE1 2.72Å; K37-E102 PolarHBondContact NZ-OE1 3.43Å; K37-E102 IonicContact NZ-OE2 3.3Å; K37-E102 PolarHBondContact NZ-OE2 2.88Å; K37-E102 VanDerWaalsContact NZ-OE2 3.14Å; W98-E102 PolarHBondContact O-N 2.91Å; W98-E102 VanDerWaalsContact O-N 3.12Å; S99-E102 PolarHBondContact O-N 3.33Å; I100-E102 VanDerWaalsContact C-N 3.3Å; I100-E102 PolarHBondContact O-N 2.86Å; E102-S104 VanDerWaalsContact C-N 3.32Å; E102-S104 PolarHBondContact O-N 3.41Å; E102-L105 WeakPolarHBondContact O-CB 3.43Å; E102-L105 PolarHBondContact O-N 3.2Å; E102-P453 HydrophobicContact CB-CB 4.47Å; E102-P453 HydrophobicContact CB-CG 4.42Å; E102-P453 HydrophobicContact CG-CG 4.35Å; E102-R456 IonicContact OE2-CZ 3.14Å; E102-R456 IonicContact OE2-NH1 2.73Å; E102-R456 PolarHBondContact OE2-NH1 3.1Å; E102-R456 IonicContact OE2-NH2 2.83Å; E102-R456 PolarHBondContact OE2-NH2 3.41Å
103F97.1Very high95.3Very high0 Ų029.8 Ų29.80%017%0.165CC..Hα-helixtrans-62.3-37.8175.1176.4-99.3000112.2S99 I100 L105 W106 Y107 P242 M341 L450 P453S99-F103 WeakPolarHBondContact O-CB 3.37Å; S99-F103 PolarHBondContact O-N 3.39Å; I100-F103 PolarHBondContact O-N 3.48Å; F103-L105 VanDerWaalsContact C-N 3.28Å; F103-L105 PolarHBondContact O-N 3.42Å; F103-W106 HydrophobicContact CD2-CE3 4.32Å; F103-W106 AromaticContact CE2-CE3 3.8Å; F103-W106 HydrophobicContact CE2-CE3 3.8Å; F103-W106 AromaticContact CE2-CZ3 3.83Å; F103-W106 HydrophobicContact CE2-CZ3 3.83Å; F103-W106 HydrophobicContact CZ-CE3 4.21Å; F103-W106 HydrophobicContact CZ-CZ3 4.08Å; F103-W106 WeakPolarHBondContact O-CB 3.39Å; F103-W106 PolarHBondContact O-N 2.97Å; F103-W106 VanDerWaalsContact O-N 3.1Å; F103-Y107 AromaticContact CE1-CD2 3.92Å; F103-Y107 HydrophobicContact CE1-CD2 3.92Å; F103-Y107 AromaticContact CE1-CG 3.99Å; F103-Y107 HydrophobicContact CE1-CG 3.99Å; F103-Y107 AromaticContact CZ-CD2 3.81Å; F103-Y107 HydrophobicContact CZ-CD2 3.81Å; F103-Y107 HydrophobicContact CZ-CG 4.28Å; F103-Y107 PolarHBondContact O-N 2.94Å; F103-P242 HydrophobicContact CD1-CB 4.25Å; F103-P242 HydrophobicContact CD1-CG 3.92Å; F103-P242 HydrophobicContact CE1-CG 3.94Å; F103-M341 HydrophobicContact CB-CG 4.48Å; F103-M341 HydrophobicContact CB-SD 3.92Å; F103-M341 HydrophobicContact CD1-CG 4.27Å; F103-M341 HydrophobicContact CD2-CB 4.3Å; F103-M341 HydrophobicContact CD2-CG 4.34Å; F103-M341 HydrophobicContact CD2-SD 4.49Å; F103-M341 HydrophobicContact CE2-CB 4.33Å; F103-M341 HydrophobicContact CG-CG 4.11Å; F103-M341 HydrophobicContact CG-SD 4.16Å; F103-L450 HydrophobicContact CD2-CD1 3.76Å; F103-L450 HydrophobicContact CE2-CD1 3.53Å; F103-P453 HydrophobicContact CB-CG 4.12Å
104S96.2Very high95.2Very high0 Ų031.1 Ų31.10%017%0.172CC..Hα-helixtrans-68.7-23179.258.20000113.7I100 M101 E102 W106 M108 F118I100-S104 PolarHBondContact O-N 2.72Å; I100-S104 PolarHBondContact O-OG 3Å; M101-S104 WeakPolarHBondContact CA-OG 3.27Å; M101-S104 PolarHBondContact O-OG 3.24Å; E102-S104 VanDerWaalsContact C-N 3.32Å; E102-S104 PolarHBondContact O-N 3.41Å; S104-W106 PolarHBondContact O-N 2.87Å; S104-M108 WeakPolarHBondContact O-CB 3.04Å; S104-M108 PolarHBondContact O-N 3.42Å; S104-F118 WeakPolarHBondContact OG-CE2 3.4Å; S104-F118 WeakPolarHBondContact OG-CZ 3.34Å
105L95.8Very high94.9Very high17 Ų1733.2 Ų33.29%0.08918%0.183CC..Hα-helixtrans-61.5-36.4170.5-66.9170.8000111.6P33 K37 E102 F103 F118P33-L105 HydrophobicContact CB-CD2 3.31Å; K37-L105 HydrophobicContact CD-CD1 3.98Å; E102-L105 WeakPolarHBondContact O-CB 3.43Å; E102-L105 PolarHBondContact O-N 3.2Å; F103-L105 VanDerWaalsContact C-N 3.28Å; F103-L105 PolarHBondContact O-N 3.42Å; L105-F118 HydrophobicContact CD2-CE1 4.19Å; L105-F118 HydrophobicContact CD2-CE2 4.21Å; L105-F118 HydrophobicContact CD2-CZ 3.56Å; L105-F118 HydrophobicContact CG-CE1 4.44Å; L105-F118 HydrophobicContact CG-CZ 3.82Å
106W95.8Very high94.7Very high29 Ų2935.1 Ų35.111%0.1119%0.192CC..Hα-helixtrans-78.7-52176.1176.668.4000111.4F103 S104 M108 N109 H348 T449 L450F103-W106 HydrophobicContact CD2-CE3 4.32Å; F103-W106 AromaticContact CE2-CE3 3.8Å; F103-W106 HydrophobicContact CE2-CE3 3.8Å; F103-W106 AromaticContact CE2-CZ3 3.83Å; F103-W106 HydrophobicContact CE2-CZ3 3.83Å; F103-W106 HydrophobicContact CZ-CE3 4.21Å; F103-W106 HydrophobicContact CZ-CZ3 4.08Å; F103-W106 WeakPolarHBondContact O-CB 3.39Å; F103-W106 PolarHBondContact O-N 2.97Å; F103-W106 VanDerWaalsContact O-N 3.1Å; S104-W106 PolarHBondContact O-N 2.87Å; W106-M108 PolarHBondContact O-N 3.48Å; W106-N109 PolarHBondContact O-N 3.4Å; W106-H348 HydrophobicContact CH2-CB 3.6Å; W106-H348 AromaticContact CH2-CG 3.7Å; W106-H348 AromaticContact CH2-ND1 3.54Å; W106-H348 HydrophobicContact CZ2-CB 4.43Å; W106-H348 AromaticContact CZ2-ND1 3.47Å; W106-H348 WeakPolarHBondContact CZ2-ND1 3.33Å; W106-H348 HydrophobicContact CZ3-CB 3.95Å; W106-T449 WeakPolarHBondContact CB-OG1 3.31Å; W106-L450 HydrophobicContact CD2-CB 4.07Å; W106-L450 HydrophobicContact CD2-CD1 4.37Å; W106-L450 HydrophobicContact CD2-CD2 4.46Å; W106-L450 HydrophobicContact CE3-CB 4.42Å; W106-L450 HydrophobicContact CE3-CD1 3.91Å; W106-L450 HydrophobicContact CG-CB 4.18Å; W106-L450 HydrophobicContact CH2-CD1 4.34Å; W106-L450 HydrophobicContact CH2-CD2 4.03Å; W106-L450 HydrophobicContact CZ2-CD2 3.91Å; W106-L450 HydrophobicContact CZ3-CD1 3.9Å; W106-L450 HydrophobicContact CZ3-CD2 4.4Å
107Y95.6Very high94.6Very high15 Ų1535.1 Ų35.16%0.05919%0.192CC..Hα-helixtrans-68.6-36.2-170.4-171.5-86.7000113.3F103 P240 T241 P242 H348F103-Y107 AromaticContact CE1-CD2 3.92Å; F103-Y107 HydrophobicContact CE1-CD2 3.92Å; F103-Y107 AromaticContact CE1-CG 3.99Å; F103-Y107 HydrophobicContact CE1-CG 3.99Å; F103-Y107 AromaticContact CZ-CD2 3.81Å; F103-Y107 HydrophobicContact CZ-CD2 3.81Å; F103-Y107 HydrophobicContact CZ-CG 4.28Å; F103-Y107 PolarHBondContact O-N 2.94Å; Y107-P240 HydrophobicContact CE1-CB 4.39Å; Y107-T241 WeakPolarHBondContact CD2-OG1 3.41Å; Y107-T241 HydrophobicContact CE2-CG2 4.14Å; Y107-T241 WeakPolarHBondContact CE2-OG1 3.28Å; Y107-P242 HydrophobicContact CD1-CG 3.86Å; Y107-P242 HydrophobicContact CG-CG 4.14Å; Y107-H348 HydrophobicContact CD2-CB 4.17Å; Y107-H348 HydrophobicContact CE2-CB 4.03Å
108M94.8Very high94.5Very high2 Ų235.1 Ų35.11%0.0119%0.192CC..THydrogen-bonded Turntrans-101.717.4-176.6-58.9-65.9-74.800112.8S104 W106 S110 D111 I114 F117 P240S104-M108 WeakPolarHBondContact O-CB 3.04Å; S104-M108 PolarHBondContact O-N 3.42Å; W106-M108 PolarHBondContact O-N 3.48Å; M108-S110 PolarHBondContact O-N 3.45Å; M108-D111 HydrophobicContact CE-CB 4.2Å; M108-D111 WeakPolarHBondContact CE-OD2 3.4Å; M108-D111 PolarHBondContact O-N 3.07Å; M108-I114 HydrophobicContact CB-CD1 4.34Å; M108-I114 HydrophobicContact CB-CG1 4.36Å; M108-F117 HydrophobicContact CE-CD2 4.06Å; M108-F117 HydrophobicContact CE-CE2 4.27Å; M108-F117 HydrophobicContact CE-CG 4.39Å; M108-F117 HydrophobicContact CG-CD1 4.37Å; M108-F117 HydrophobicContact CG-CE1 4.25Å; M108-F117 HydrophobicContact CG-CZ 4.46Å; M108-P240 HydrophobicContact SD-CB 4.16Å
109N92.1Very high94.4Very high130 Ų13035.5 Ų35.570%0.69520%0.195SC*.THydrogen-bonded Turntrans-63.1-27.3-174.6-168.534.2000113.2W106 D111W106-N109 PolarHBondContact O-N 3.4Å; N109-D111 VanDerWaalsContact C-N 3.34Å
110S91.4Very high94.3Very high99 Ų9937.5 Ų37.569%0.69220%0.203SC*.THydrogen-bonded Turntrans-77.1-18.2176.857.10000113.9M108M108-S110 PolarHBondContact O-N 3.45Å
111D92.7Very high94.2Very high35 Ų3537.6 Ų37.619%0.18720%0.203CC..  trans-82.6125.7-172.5-91.312.5000111.1M108 N109 N113 I114 W157M108-D111 HydrophobicContact CE-CB 4.2Å; M108-D111 WeakPolarHBondContact CE-OD2 3.4Å; M108-D111 PolarHBondContact O-N 3.07Å; N109-D111 VanDerWaalsContact C-N 3.34Å; D111-N113 PolarHBondContact O-N 3.31Å; D111-I114 PolarHBondContact O-N 3.49Å; D111-W157 PolarHBondContact OD2-NE1 3.3Å
112P90.6Very high94.1Very high119 Ų11937.5 Ų37.577%0.77320%0.203SC*.THydrogen-bonded Turntrans-66.3-24.8-178.326.4-34.6000112.8
113N92.2Very high94.1Very high86 Ų8639.1 Ų39.146%0.4621%0.211SC..THydrogen-bonded Turntrans-98.528-176.2-65.6-21000113.2D111 N115 Q116 F117 W157D111-N113 PolarHBondContact O-N 3.31Å; N113-N115 PolarHBondContact O-N 3.29Å; N113-N115 VanDerWaalsContact O-N 3.17Å; N113-Q116 WeakPolarHBondContact O-CB 3.16Å; N113-Q116 PolarHBondContact O-N 3.48Å; N113-F117 PolarHBondContact O-N 2.63Å; N113-W157 HydrophobicContact CB-CH2 4.11Å; N113-W157 HydrophobicContact CB-CZ2 4.03Å; N113-W157 WeakPolarHBondContact O-CH2 3.39Å
114I92.3Very high94Very high30 Ų3039.1 Ų39.115%0.15421%0.211CC..Hα-helixtrans-54.2-36.4-179.8-167.1171.2000113P33 M108 D111 Q116 F117 F118P33-I114 HydrophobicContact CG-CD1 4.43Å; P33-I114 HydrophobicContact CG-CG1 4.3Å; P33-I114 HydrophobicContact CG-CG2 4.2Å; M108-I114 HydrophobicContact CB-CD1 4.34Å; M108-I114 HydrophobicContact CB-CG1 4.36Å; D111-I114 PolarHBondContact O-N 3.49Å; I114-Q116 VanDerWaalsContact C-N 3.33Å; I114-Q116 PolarHBondContact O-N 2.92Å; I114-F117 WeakPolarHBondContact O-CB 3.37Å; I114-F117 PolarHBondContact O-N 2.91Å; I114-F118 HydrophobicContact CD1-CE2 3.93Å; I114-F118 HydrophobicContact CG1-CD2 3.77Å; I114-F118 HydrophobicContact CG1-CE2 3.64Å; I114-F118 WeakPolarHBondContact O-CD2 3.13Å; I114-F118 PolarHBondContact O-N 3.08Å
115N91.9Very high94Very high43 Ų4339.3 Ų39.323%0.2321%0.212CC..Hα-helixtrans-63.4-38.8179.2-66.8-16.8000112.4Y32 P33 N113 K119Y32-N115 HydrophobicContact CD1-CB 3.96Å; Y32-N115 WeakPolarHBondContact CE1-O 3.05Å; P33-N115 VanDerWaalsContact CD-OD1 3.24Å; P33-N115 WeakPolarHBondContact CD-OD1 3.41Å; P33-N115 VanDerWaalsContact CG-OD1 3.32Å; P33-N115 WeakPolarHBondContact CG-OD1 3.44Å; N113-N115 PolarHBondContact O-N 3.29Å; N113-N115 VanDerWaalsContact O-N 3.17Å; N115-K119 WeakPolarHBondContact O-CB 3.5Å; N115-K119 PolarHBondContact O-N 3.02Å
116Q92.4Very high94Very high71 Ų7140 Ų4033%0.33222%0.216SC..Hα-helixtrans-68.5-37.6176.4-178.7178.74.900111.1N113 I114 K119 Y120 W157N113-Q116 WeakPolarHBondContact O-CB 3.16Å; N113-Q116 PolarHBondContact O-N 3.48Å; I114-Q116 VanDerWaalsContact C-N 3.33Å; I114-Q116 PolarHBondContact O-N 2.92Å; Q116-K119 WeakPolarHBondContact O-CB 3.12Å; Q116-K119 PolarHBondContact O-N 3.09Å; Q116-Y120 HydrophobicContact CG-CD2 4.34Å; Q116-Y120 HydrophobicContact CG-CE1 4.22Å; Q116-Y120 HydrophobicContact CG-CE2 3.87Å; Q116-Y120 PolarHBondContact NE2-OH 2.98Å; Q116-Y120 PolarHBondContact O-N 2.88Å; Q116-W157 HydrophobicContact CB-CH2 4.1Å; Q116-W157 HydrophobicContact CG-CH2 4.21Å; Q116-W157 HydrophobicContact CG-CZ3 4.19Å
117F94.7Very high94Very high0 Ų039.5 Ų39.50%022%0.216CC..Hα-helixtrans-59.6-49.9174.8-177.5-96.1000111.8M108 N113 I114 K119 Y120 L121 L154 W157 P240 P242 V243M108-F117 HydrophobicContact CE-CD2 4.06Å; M108-F117 HydrophobicContact CE-CE2 4.27Å; M108-F117 HydrophobicContact CE-CG 4.39Å; M108-F117 HydrophobicContact CG-CD1 4.37Å; M108-F117 HydrophobicContact CG-CE1 4.25Å; M108-F117 HydrophobicContact CG-CZ 4.46Å; N113-F117 PolarHBondContact O-N 2.63Å; I114-F117 WeakPolarHBondContact O-CB 3.37Å; I114-F117 PolarHBondContact O-N 2.91Å; F117-K119 VanDerWaalsContact C-N 3.3Å; F117-K119 PolarHBondContact O-N 2.71Å; F117-Y120 PolarHBondContact O-N 2.9Å; F117-L121 HydrophobicContact CE1-CD1 3.89Å; F117-L121 HydrophobicContact CZ-CD1 4.29Å; F117-L121 PolarHBondContact O-N 3.5Å; F117-L154 HydrophobicContact CD2-CD2 4.39Å; F117-L154 HydrophobicContact CE2-CD2 4.27Å; F117-W157 HydrophobicContact CB-CH2 3.65Å; F117-W157 HydrophobicContact CB-CZ2 3.84Å; F117-W157 HydrophobicContact CB-CZ3 4.13Å; F117-W157 HydrophobicContact CD2-CD2 4.07Å; F117-W157 HydrophobicContact CD2-CE3 4.17Å; F117-W157 HydrophobicContact CD2-CH2 4.43Å; F117-W157 HydrophobicContact CD2-CZ2 4.32Å; F117-W157 HydrophobicContact CD2-CZ3 4.35Å; F117-P240 HydrophobicContact CE2-CG 3.86Å; F117-P240 HydrophobicContact CZ-CG 4.49Å; F117-P242 HydrophobicContact CE1-CB 4.47Å; F117-P242 HydrophobicContact CZ-CB 4.17Å; F117-P242 HydrophobicContact CZ-CG 4.45Å; F117-V243 HydrophobicContact CE2-CG2 3.5Å; F117-V243 HydrophobicContact CZ-CG2 3.69Å
118F94.3Very high94Very high0 Ų039 Ų390%021%0.214CC..Hα-helixtrans-63.8-34.1177.1-85.5-103.5000112.5Y32 P33 V36 M101 S104 L105 I114 L122Y32-F118 HydrophobicContact CD1-CB 4.35Å; Y32-F118 HydrophobicContact CE1-CB 3.98Å; P33-F118 HydrophobicContact CB-CD1 4.06Å; P33-F118 HydrophobicContact CB-CD2 3.89Å; P33-F118 HydrophobicContact CB-CE1 3.96Å; P33-F118 HydrophobicContact CB-CE2 3.8Å; P33-F118 HydrophobicContact CB-CG 4.02Å; P33-F118 HydrophobicContact CB-CZ 3.82Å; P33-F118 HydrophobicContact CG-CD2 4.24Å; P33-F118 HydrophobicContact CG-CE2 4.43Å; V36-F118 HydrophobicContact CB-CD1 4.22Å; V36-F118 HydrophobicContact CG1-CD1 4.21Å; M101-F118 HydrophobicContact CB-CE1 4.12Å; M101-F118 HydrophobicContact CE-CD1 4.23Å; M101-F118 HydrophobicContact CG-CE1 4.48Å; M101-F118 WeakPolarHBondContact O-CE1 3.04Å; M101-F118 VanDerWaalsContact O-CZ 3.29Å; M101-F118 WeakPolarHBondContact O-CZ 3.14Å; M101-F118 HydrophobicContact SD-CD1 3.28Å; M101-F118 WeakPolarHBondContact SD-CD1 3.48Å; M101-F118 HydrophobicContact SD-CE1 3.53Å; M101-F118 VanDerWaalsContact SD-CE1 3.53Å; M101-F118 HydrophobicContact SD-CG 4.18Å; S104-F118 WeakPolarHBondContact OG-CE2 3.4Å; S104-F118 WeakPolarHBondContact OG-CZ 3.34Å; L105-F118 HydrophobicContact CD2-CE1 4.19Å; L105-F118 HydrophobicContact CD2-CE2 4.21Å; L105-F118 HydrophobicContact CD2-CZ 3.56Å; L105-F118 HydrophobicContact CG-CE1 4.44Å; L105-F118 HydrophobicContact CG-CZ 3.82Å; I114-F118 HydrophobicContact CD1-CE2 3.93Å; I114-F118 HydrophobicContact CG1-CD2 3.77Å; I114-F118 HydrophobicContact CG1-CE2 3.64Å; I114-F118 WeakPolarHBondContact O-CD2 3.13Å; I114-F118 PolarHBondContact O-N 3.08Å; F118-L122 WeakPolarHBondContact O-CB 3.45Å; F118-L122 PolarHBondContact O-N 3.25Å
119K94Very high94Very high61 Ų6139 Ų3927%0.26522%0.215SC..Hα-helixtrans-62.8-47.5173-175.7-17868.5177.40111.4T22 Y32 N115 Q116 F117 L122 I123T22-K119 HydrophobicContact CG2-CD 4.18Å; Y32-K119 HydrophobicContact CE1-CB 4.44Å; N115-K119 WeakPolarHBondContact O-CB 3.5Å; N115-K119 PolarHBondContact O-N 3.02Å; Q116-K119 WeakPolarHBondContact O-CB 3.12Å; Q116-K119 PolarHBondContact O-N 3.09Å; F117-K119 VanDerWaalsContact C-N 3.3Å; F117-K119 PolarHBondContact O-N 2.71Å; K119-L122 PolarHBondContact O-N 3.38Å; K119-I123 HydrophobicContact CG-CD1 3.96Å; K119-I123 VanDerWaalsContact O-CG1 3.31Å; K119-I123 WeakPolarHBondContact O-CG1 3.21Å; K119-I123 PolarHBondContact O-N 3.36Å
120Y95.7Very high94.2Very high42 Ų4235 Ų3517%0.16519%0.193CC..Hα-helixtrans-65-40.2178.1-67.9-15.2000112.4Q116 F117 L122 I123 F124 L153 L154 W157Q116-Y120 HydrophobicContact CG-CD2 4.34Å; Q116-Y120 HydrophobicContact CG-CE1 4.22Å; Q116-Y120 HydrophobicContact CG-CE2 3.87Å; Q116-Y120 PolarHBondContact NE2-OH 2.98Å; Q116-Y120 PolarHBondContact O-N 2.88Å; F117-Y120 PolarHBondContact O-N 2.9Å; Y120-L122 VanDerWaalsContact C-N 3.32Å; Y120-L122 PolarHBondContact O-N 2.81Å; Y120-I123 PolarHBondContact O-N 3.38Å; Y120-F124 VanDerWaalsContact O-CB 3.28Å; Y120-F124 WeakPolarHBondContact O-CB 3.32Å; Y120-F124 PolarHBondContact O-N 3.34Å; Y120-L153 HydrophobicContact CD2-CB 4.46Å; Y120-L153 HydrophobicContact CE2-CB 4.36Å; Y120-L154 HydrophobicContact CD2-CD2 4.36Å; Y120-W157 HydrophobicContact CD2-CE3 4.31Å; Y120-W157 AromaticContact CD2-CZ3 3.87Å; Y120-W157 HydrophobicContact CD2-CZ3 3.87Å; Y120-W157 AromaticContact CE2-CZ3 4Å; Y120-W157 HydrophobicContact CE2-CZ3 4Å
121L95.1Very high94.4Very high2 Ų230.4 Ų30.41%0.0116%0.16CC..Hα-helixtrans-63.1-39.5175.7-154.9158.6000111.4I100 M101 F117 F124 L125 L246I100-L121 HydrophobicContact CG2-CD1 4.18Å; M101-L121 HydrophobicContact CE-CB 3.99Å; M101-L121 HydrophobicContact CE-CD2 3.51Å; M101-L121 HydrophobicContact CE-CG 4.25Å; M101-L121 HydrophobicContact CG-CD2 3.97Å; M101-L121 HydrophobicContact SD-CB 4.22Å; M101-L121 HydrophobicContact SD-CD1 4.04Å; M101-L121 HydrophobicContact SD-CD2 3.64Å; M101-L121 HydrophobicContact SD-CG 4.18Å; F117-L121 HydrophobicContact CE1-CD1 3.89Å; F117-L121 HydrophobicContact CZ-CD1 4.29Å; F117-L121 PolarHBondContact O-N 3.5Å; L121-F124 WeakPolarHBondContact O-CB 3.42Å; L121-F124 PolarHBondContact O-N 3.43Å; L121-L125 PolarHBondContact O-N 3.46Å; L121-L246 HydrophobicContact CD1-CD1 4.25Å; L121-L246 HydrophobicContact CD2-CD1 3.26Å; L121-L246 HydrophobicContact CG-CD1 3.75Å
122L95.3Very high94.6Very high0 Ų028.7 Ų28.70%015%0.151CC..Hα-helixtrans-69.3-43.3175.9-176.166.3000112.8L15 P18 I19 V36 V40 M101 F118 K119 Y120 F124 L125 I126L15-L122 HydrophobicContact CB-CD1 4.46Å; L15-L122 HydrophobicContact CD2-CD1 4Å; P18-L122 HydrophobicContact CB-CD2 3.53Å; P18-L122 HydrophobicContact CG-CD2 3.73Å; I19-L122 HydrophobicContact CD1-CD2 4.31Å; I19-L122 HydrophobicContact CD1-CG 4.38Å; I19-L122 HydrophobicContact CG1-CD2 3.76Å; I19-L122 HydrophobicContact CG1-CG 4.33Å; V36-L122 HydrophobicContact CG1-CB 4.39Å; V36-L122 HydrophobicContact CG1-CD1 4.42Å; V36-L122 HydrophobicContact CG1-CD2 4.31Å; V40-L122 HydrophobicContact CG2-CD1 4.21Å; M101-L122 HydrophobicContact CE-CB 4.15Å; F118-L122 WeakPolarHBondContact O-CB 3.45Å; F118-L122 PolarHBondContact O-N 3.25Å; K119-L122 PolarHBondContact O-N 3.38Å; Y120-L122 VanDerWaalsContact C-N 3.32Å; Y120-L122 PolarHBondContact O-N 2.81Å; L122-F124 VanDerWaalsContact C-N 3.26Å; L122-F124 PolarHBondContact O-N 3.32Å; L122-L125 HydrophobicContact CD1-CD2 4.1Å; L122-L125 WeakPolarHBondContact O-CB 3.25Å; L122-L125 PolarHBondContact O-N 3.07Å; L122-I126 HydrophobicContact CG-CD1 4.41Å; L122-I126 WeakPolarHBondContact O-CG1 3.19Å; L122-I126 PolarHBondContact O-N 3.23Å
123I95.9Very high94.8Very high41 Ų4123 Ų2321%0.2111%0.114CC..Hα-helixtrans-61.3-41.4175.6-65.8164000109.9I19 K119 Y120 L125 I126 T127 M150I19-I123 HydrophobicContact CD1-CG1 3.74Å; I19-I123 HydrophobicContact CG1-CG1 4.35Å; K119-I123 HydrophobicContact CG-CD1 3.96Å; K119-I123 VanDerWaalsContact O-CG1 3.31Å; K119-I123 WeakPolarHBondContact O-CG1 3.21Å; K119-I123 PolarHBondContact O-N 3.36Å; Y120-I123 PolarHBondContact O-N 3.38Å; I123-L125 VanDerWaalsContact C-N 3.34Å; I123-L125 PolarHBondContact O-N 2.98Å; I123-I126 PolarHBondContact O-N 2.89Å; I123-T127 HydrophobicContact CG2-CG2 4.39Å; I123-T127 WeakPolarHBondContact O-CG2 3.25Å; I123-T127 PolarHBondContact O-N 3.39Å; I123-T127 PolarHBondContact O-OG1 3.36Å; I123-M150 HydrophobicContact CB-CG 4.49Å; I123-M150 HydrophobicContact CB-SD 3.97Å; I123-M150 HydrophobicContact CG2-CE 3.68Å; I123-M150 HydrophobicContact CG2-CG 3.89Å; I123-M150 HydrophobicContact CG2-SD 3.58Å; I123-M150 VanDerWaalsContact CG2-SD 3.58Å
124F96.2Very high94.9Very high0 Ų019.2 Ų19.20%09%0.094CC..Hα-helixtrans-58.7-44174.4-179.6-77.7000112.2Y120 L121 L122 I126 T127 M128 V147 M150 L154 L246 L247 T251 M252Y120-F124 VanDerWaalsContact O-CB 3.28Å; Y120-F124 WeakPolarHBondContact O-CB 3.32Å; Y120-F124 PolarHBondContact O-N 3.34Å; L121-F124 WeakPolarHBondContact O-CB 3.42Å; L121-F124 PolarHBondContact O-N 3.43Å; L122-F124 VanDerWaalsContact C-N 3.26Å; L122-F124 PolarHBondContact O-N 3.32Å; F124-I126 VanDerWaalsContact C-N 3.34Å; F124-I126 PolarHBondContact O-N 3.4Å; F124-T127 PolarHBondContact O-N 2.81Å; F124-T127 PolarHBondContact O-OG1 3.5Å; F124-M128 WeakPolarHBondContact O-CB 3.48Å; F124-M128 PolarHBondContact O-N 2.99Å; F124-V147 HydrophobicContact CE2-CB 4.3Å; F124-V147 HydrophobicContact CE2-CG1 3.63Å; F124-V147 HydrophobicContact CZ-CG1 3.81Å; F124-M150 HydrophobicContact CB-CB 3.96Å; F124-M150 HydrophobicContact CB-CG 4.39Å; F124-M150 HydrophobicContact CD2-CB 3.7Å; F124-M150 HydrophobicContact CG-CB 4.32Å; F124-L154 HydrophobicContact CB-CD1 4.31Å; F124-L154 HydrophobicContact CD2-CD1 4.37Å; F124-L154 HydrophobicContact CG-CD1 4.44Å; F124-L246 HydrophobicContact CD1-CD2 3.18Å; F124-L246 HydrophobicContact CE1-CD2 3Å; F124-L246 HydrophobicContact CE1-CG 4.48Å; F124-L246 HydrophobicContact CG-CD2 4.21Å; F124-L246 HydrophobicContact CZ-CD2 3.87Å; F124-L247 HydrophobicContact CD2-CD2 3.86Å; F124-L247 HydrophobicContact CE1-CD2 4.21Å; F124-L247 HydrophobicContact CE2-CD2 3.13Å; F124-L247 HydrophobicContact CZ-CD2 3.36Å; F124-T251 VanDerWaalsContact CE1-CB 3.41Å; F124-T251 HydrophobicContact CE1-CG2 3.81Å; F124-T251 WeakPolarHBondContact CE1-OG1 3.32Å; F124-T251 WeakPolarHBondContact CZ-OG1 3.5Å; F124-M252 HydrophobicContact CE2-CB 4.44Å; F124-M252 HydrophobicContact CZ-CB 4.11Å
125L95.4Very high94.9Very high4 Ų418.1 Ų18.12%0.0219%0.089CC..Hα-helixtrans-59.2-46.5175.2178.492000111.1L15 V40 L94 T97 L121 L122 I123 M128 L129L15-L125 HydrophobicContact CD1-CD2 3.55Å; L15-L125 HydrophobicContact CD1-CG 4.42Å; L15-L125 HydrophobicContact CD2-CD2 3.58Å; L15-L125 HydrophobicContact CG-CD2 4.18Å; V40-L125 HydrophobicContact CG2-CD2 4.41Å; L94-L125 HydrophobicContact CD2-CD1 4.15Å; L94-L125 HydrophobicContact CD2-CD2 3.88Å; L94-L125 HydrophobicContact CD2-CG 4.47Å; T97-L125 HydrophobicContact CG2-CD1 3.32Å; T97-L125 VanDerWaalsContact OG1-CD1 3.24Å; T97-L125 WeakPolarHBondContact OG1-CD1 3.35Å; L121-L125 PolarHBondContact O-N 3.46Å; L122-L125 HydrophobicContact CD1-CD2 4.1Å; L122-L125 WeakPolarHBondContact O-CB 3.25Å; L122-L125 PolarHBondContact O-N 3.07Å; I123-L125 VanDerWaalsContact C-N 3.34Å; I123-L125 PolarHBondContact O-N 2.98Å; L125-M128 PolarHBondContact O-N 3.18Å; L125-L129 HydrophobicContact CD2-CD1 4.28Å; L125-L129 HydrophobicContact CG-CD1 4.06Å; L125-L129 WeakPolarHBondContact O-CG 3.48Å; L125-L129 PolarHBondContact O-N 3.25Å
126I95.8Very high95Very high31 Ų3116.3 Ų16.316%0.1598%0.079CC..Hα-helixtrans-63.4-45.6-178.6-67.5173.3000110.9L15 I19 L122 I123 F124 M128 L129 I130L15-I126 HydrophobicContact CB-CD1 3.98Å; L15-I126 HydrophobicContact CB-CG1 3.86Å; L15-I126 HydrophobicContact CD1-CG1 4.26Å; I19-I126 HydrophobicContact CD1-CD1 3.26Å; I19-I126 HydrophobicContact CG1-CD1 4.45Å; L122-I126 HydrophobicContact CG-CD1 4.41Å; L122-I126 WeakPolarHBondContact O-CG1 3.19Å; L122-I126 PolarHBondContact O-N 3.23Å; I123-I126 PolarHBondContact O-N 2.89Å; F124-I126 VanDerWaalsContact C-N 3.34Å; F124-I126 PolarHBondContact O-N 3.4Å; I126-M128 VanDerWaalsContact C-N 3.27Å; I126-M128 PolarHBondContact O-N 3.24Å; I126-L129 PolarHBondContact O-N 2.95Å; I126-I130 HydrophobicContact CG2-CD1 3.83Å; I126-I130 HydrophobicContact CG2-CG1 4.39Å; I126-I130 VanDerWaalsContact O-CG1 3.29Å; I126-I130 WeakPolarHBondContact O-CG1 3.47Å; I126-I130 PolarHBondContact O-N 3.1Å
127T96Very high95Very high19 Ų1913 Ų1312%0.1176%0.064CC..Hα-helixtrans-63.2-35.8178.155.90000111.8I123 F124 I130 L131 G143I123-T127 HydrophobicContact CG2-CG2 4.39Å; I123-T127 WeakPolarHBondContact O-CG2 3.25Å; I123-T127 PolarHBondContact O-N 3.39Å; I123-T127 PolarHBondContact O-OG1 3.36Å; F124-T127 PolarHBondContact O-N 2.81Å; F124-T127 PolarHBondContact O-OG1 3.5Å; T127-I130 PolarHBondContact O-N 3.47Å; T127-L131 PolarHBondContact O-N 3.21Å; T127-G143 WeakPolarHBondContact O-CA 3.4Å
128M95.6Very high94.9Very high3 Ų315.9 Ų15.92%0.0158%0.076CC..Hα-helixtrans-67.4-41.4173.9-173.161.2-165.300112.6F89 F124 L125 I126 I130 L131 V132 V147 T251 A255F89-M128 HydrophobicContact CE1-CE 3.72Å; F89-M128 HydrophobicContact CE1-CG 4.32Å; F89-M128 HydrophobicContact CZ-CE 3.54Å; F124-M128 WeakPolarHBondContact O-CB 3.48Å; F124-M128 PolarHBondContact O-N 2.99Å; L125-M128 PolarHBondContact O-N 3.18Å; I126-M128 VanDerWaalsContact C-N 3.27Å; I126-M128 PolarHBondContact O-N 3.24Å; M128-I130 VanDerWaalsContact C-N 3.34Å; M128-L131 WeakPolarHBondContact O-CB 3.21Å; M128-L131 PolarHBondContact O-N 3.38Å; M128-L131 HydrophobicContact SD-CD1 4.47Å; M128-V132 HydrophobicContact CE-CG2 3.6Å; M128-V132 VanDerWaalsContact O-CG2 3.29Å; M128-V132 WeakPolarHBondContact O-CG2 3.18Å; M128-V132 PolarHBondContact O-N 3.23Å; M128-V147 HydrophobicContact CB-CG2 4.12Å; M128-V147 HydrophobicContact SD-CG2 4.21Å; M128-T251 HydrophobicContact CB-CG2 4.45Å; M128-T251 WeakPolarHBondContact CE-O 3.11Å; M128-T251 HydrophobicContact CG-CG2 3.86Å; M128-A255 HydrophobicContact CE-CB 4.47Å
129L95.2Very high95Very high4 Ų416.2 Ų16.22%0.0218%0.078CC..Hα-helixtrans-66.2-37.4176.1-69.1171.8000111.7L12 L15 I90 L94 L125 I126 L131 V132 T133L12-L129 HydrophobicContact CD2-CB 4.11Å; L15-L129 HydrophobicContact CD1-CD1 3.24Å; I90-L129 HydrophobicContact CB-CD2 4.29Å; I90-L129 HydrophobicContact CG1-CD2 3.91Å; I90-L129 HydrophobicContact CG2-CD2 4.05Å; L94-L129 HydrophobicContact CD2-CD1 4.32Å; L125-L129 HydrophobicContact CD2-CD1 4.28Å; L125-L129 HydrophobicContact CG-CD1 4.06Å; L125-L129 WeakPolarHBondContact O-CG 3.48Å; L125-L129 PolarHBondContact O-N 3.25Å; I126-L129 PolarHBondContact O-N 2.95Å; L129-L131 VanDerWaalsContact C-N 3.34Å; L129-V132 PolarHBondContact O-N 2.87Å; L129-T133 WeakPolarHBondContact O-CB 3.47Å; L129-T133 WeakPolarHBondContact O-CG2 3.46Å; L129-T133 PolarHBondContact O-N 3.32Å; L129-T133 PolarHBondContact O-OG1 2.97Å
130I95.5Very high95.1Very high46 Ų4613.7 Ų13.724%0.2367%0.068CC..Hα-helixtrans-60.2-44.6172-68.7166.4000110.4I126 T127 M128 V132 A134 Q139I126-I130 HydrophobicContact CG2-CD1 3.83Å; I126-I130 HydrophobicContact CG2-CG1 4.39Å; I126-I130 VanDerWaalsContact O-CG1 3.29Å; I126-I130 WeakPolarHBondContact O-CG1 3.47Å; I126-I130 PolarHBondContact O-N 3.1Å; T127-I130 PolarHBondContact O-N 3.47Å; M128-I130 VanDerWaalsContact C-N 3.34Å; I130-V132 PolarHBondContact O-N 3.41Å; I130-A134 WeakPolarHBondContact O-CB 3.45Å; I130-A134 PolarHBondContact O-N 3.49Å; I130-Q139 HydrophobicContact CG2-CG 3.93Å
131L95.8Very high95.1Very high1 Ų113.6 Ų13.61%0.0057%0.068CC..Hα-helixtrans-59.5-47.3178.1-171.4160.2000111.7T127 M128 L129 L140 W144 A255 F258T127-L131 PolarHBondContact O-N 3.21Å; M128-L131 WeakPolarHBondContact O-CB 3.21Å; M128-L131 PolarHBondContact O-N 3.38Å; M128-L131 HydrophobicContact SD-CD1 4.47Å; L129-L131 VanDerWaalsContact C-N 3.34Å; L131-L140 HydrophobicContact CG-CD2 4.43Å; L131-L140 HydrophobicContact CG-CG 4.44Å; L131-W144 HydrophobicContact CD1-CB 4.33Å; L131-W144 HydrophobicContact CD1-CE3 4.3Å; L131-A255 HydrophobicContact CD1-CB 3.8Å; L131-A255 HydrophobicContact CD2-CB 4.28Å; L131-F258 HydrophobicContact CD2-CD1 3.88Å; L131-F258 HydrophobicContact CD2-CE1 4.21Å
132V95.6Very high95.2Very high0 Ų017.6 Ų17.60%09%0.088CC..Hα-helixtrans-70.5-34.8-174.5170.30000112.6F89 M128 L129 I130 F258 R262F89-V132 HydrophobicContact CB-CG1 4.09Å; F89-V132 HydrophobicContact CD1-CB 4.12Å; F89-V132 HydrophobicContact CD1-CG1 3.7Å; F89-V132 HydrophobicContact CD1-CG2 3.47Å; F89-V132 VanDerWaalsContact CD1-CG2 3.47Å; F89-V132 HydrophobicContact CE1-CB 4.49Å; F89-V132 HydrophobicContact CE1-CG2 3.43Å; F89-V132 VanDerWaalsContact CE1-CG2 3.43Å; F89-V132 HydrophobicContact CG-CG1 4.19Å; F89-V132 HydrophobicContact CG-CG2 4.35Å; F89-V132 HydrophobicContact CZ-CG2 4.3Å; M128-V132 HydrophobicContact CE-CG2 3.6Å; M128-V132 VanDerWaalsContact O-CG2 3.29Å; M128-V132 WeakPolarHBondContact O-CG2 3.18Å; M128-V132 PolarHBondContact O-N 3.23Å; L129-V132 PolarHBondContact O-N 2.87Å; I130-V132 PolarHBondContact O-N 3.41Å; V132-F258 HydrophobicContact CB-CE1 4.33Å; V132-F258 HydrophobicContact CB-CZ 4.05Å; V132-F258 HydrophobicContact CG1-CE1 4.46Å; V132-F258 HydrophobicContact CG1-CE2 4.17Å; V132-F258 HydrophobicContact CG1-CZ 3.7Å; V132-F258 HydrophobicContact CG2-CE1 4.29Å; V132-F258 HydrophobicContact CG2-CZ 4.18Å; V132-R262 PolarHBondContact O-NH2 2.91Å
133T94.9Very high95.2Very high0 Ų017.6 Ų17.60%09%0.088CC..Hα-helixtrans-92-6.7-177.6560000113.4F80 K81 I90 L129 N135F80-T133 CarbonylContact C-O 3.43Å; F80-T133 VanDerWaalsContact CA-O 3.24Å; F80-T133 WeakPolarHBondContact CA-O 3.35Å; F80-T133 WeakPolarHBondContact CD1-OG1 3.47Å; K81-T133 PolarHBondContact N-O 3.4Å; I90-T133 HydrophobicContact CD1-CG2 3.64Å; I90-T133 HydrophobicContact CG1-CG2 4.33Å; L129-T133 WeakPolarHBondContact O-CB 3.47Å; L129-T133 WeakPolarHBondContact O-CG2 3.46Å; L129-T133 PolarHBondContact O-N 3.32Å; L129-T133 PolarHBondContact O-OG1 2.97Å; T133-N135 PolarHBondContact O-N 3.36Å
134A94.8Very high95.2Very high5 Ų515.7 Ų15.74%0.0418%0.079CC..BIsolated β-bridgetrans-61.3126.4-17900000111.5I130 Q139 L140I130-A134 WeakPolarHBondContact O-CB 3.45Å; I130-A134 PolarHBondContact O-N 3.49Å; A134-Q139 HydrophobicContact CB-CB 3.96Å; A134-Q139 HydrophobicContact CB-CG 3.78Å; A134-L140 HydrophobicContact CB-CB 3.85Å; A134-L140 HydrophobicContact CB-CG 4.42Å
135N93Very high95.3Very high8 Ų816.8 Ų16.84%0.0438%0.084CC..  trans-82.9-47.5163.2-167.742000110.2S79 K81 T133 P198S79-N135 WeakPolarHBondContact O-CB 3.44Å; S79-N135 PolarHBondContact O-N 3.49Å; S79-N135 WeakPolarHBondContact OG-CB 3.33Å; K81-N135 HydrophobicContact CB-CB 3.87Å; T133-N135 PolarHBondContact O-N 3.36Å; N135-P198 WeakPolarHBondContact O-CD 3.47Å; N135-P198 WeakPolarHBondContact O-CG 3.43Å
136N92.9Very high95.3Very high5 Ų517.2 Ų17.23%0.0279%0.089CC..SBendtrans-81.9137.4-174.7-60.84.2000111S77 S79 F138 Q139 L140 D197S77-N136 PolarHBondContact O-ND2 2.96Å; S79-N136 PolarHBondContact OG-ND2 2.92Å; S79-N136 VanDerWaalsContact OG-ND2 3.15Å; S79-N136 PolarHBondContact OG-OD1 3.2Å; N136-F138 PolarHBondContact O-N 3.12Å; N136-Q139 HydrophobicContact CB-CB 4.42Å; N136-Q139 WeakPolarHBondContact O-CB 3.45Å; N136-Q139 PolarHBondContact O-N 3.06Å; N136-L140 PolarHBondContact O-N 2.87Å; N136-D197 VanDerWaalsContact CG-OD1 3.29Å; N136-D197 PolarHBondContact OD1-OD1 2.89Å
137L93Very high95.3Very high2 Ų215.8 Ų15.81%0.018%0.082CC..Hα-helixtrans-56.1-33.9176.9-88.3171.9000113.6L140 F141 F182 L186 F189 W196 M201 F263L137-L140 WeakPolarHBondContact O-CB 3.34Å; L137-L140 PolarHBondContact O-N 3.06Å; L137-F141 PolarHBondContact O-N 3.42Å; L137-F182 HydrophobicContact CD2-CE1 4.27Å; L137-F182 HydrophobicContact CD2-CZ 4.11Å; L137-L186 HydrophobicContact CB-CD2 3.54Å; L137-L186 HydrophobicContact CD1-CD2 4.28Å; L137-L186 HydrophobicContact CG-CD2 4.44Å; L137-F189 HydrophobicContact CD1-CD2 3.54Å; L137-F189 HydrophobicContact CD1-CE2 4.08Å; L137-F189 HydrophobicContact CD1-CG 4.39Å; L137-W196 HydrophobicContact CB-CB 4.14Å; L137-W196 PolarHBondContact N-O 2.75Å; L137-M201 HydrophobicContact CD1-CE 3.96Å; L137-M201 HydrophobicContact CD1-SD 3.75Å; L137-F263 HydrophobicContact CD1-CZ 4.16Å; L137-F263 HydrophobicContact CD2-CE1 4.3Å; L137-F263 HydrophobicContact CD2-CE2 3.64Å; L137-F263 HydrophobicContact CD2-CZ 3.24Å; L137-F263 HydrophobicContact CG-CE1 4.5Å; L137-F263 HydrophobicContact CG-CZ 3.75Å
138F93.9Very high95.2Very high59 Ų5915 Ų1526%0.2598%0.077SC..Hα-helixtrans-66.4-42175.7-179.4-100.1000112.4W68 N136 L140 F141 I142 W196W68-F138 HydrophobicContact CE3-CD1 4.46Å; W68-F138 HydrophobicContact CE3-CE1 4.05Å; W68-F138 AromaticContact CH2-CE1 3.45Å; W68-F138 HydrophobicContact CH2-CE1 3.45Å; W68-F138 VanDerWaalsContact CH2-CE1 3.45Å; W68-F138 AromaticContact CH2-CZ 3.65Å; W68-F138 HydrophobicContact CH2-CZ 3.65Å; W68-F138 AromaticContact CZ3-CD1 3.81Å; W68-F138 HydrophobicContact CZ3-CD1 3.81Å; W68-F138 AromaticContact CZ3-CE1 3.11Å; W68-F138 HydrophobicContact CZ3-CE1 3.11Å; W68-F138 AromaticContact CZ3-CZ 3.66Å; W68-F138 HydrophobicContact CZ3-CZ 3.66Å; N136-F138 PolarHBondContact O-N 3.12Å; F138-L140 VanDerWaalsContact C-N 3.3Å; F138-L140 PolarHBondContact O-N 2.61Å; F138-F141 WeakPolarHBondContact O-CB 3.34Å; F138-F141 PolarHBondContact O-N 2.99Å; F138-I142 HydrophobicContact CD1-CD1 3.91Å; F138-I142 HydrophobicContact CE1-CD1 3.47Å; F138-I142 VanDerWaalsContact CE1-CD1 3.47Å; F138-I142 HydrophobicContact CE1-CG1 4.17Å; F138-I142 HydrophobicContact CZ-CD1 4.13Å; F138-I142 HydrophobicContact CZ-CG1 4.43Å; F138-I142 PolarHBondContact O-N 2.9Å; F138-W196 HydrophobicContact CB-CD2 4.43Å; F138-W196 HydrophobicContact CB-CE3 3.54Å; F138-W196 HydrophobicContact CB-CZ3 3.66Å; F138-W196 HydrophobicContact CD2-CH2 4.47Å; F138-W196 HydrophobicContact CD2-CZ3 4.06Å; F138-W196 HydrophobicContact CG-CE3 4.33Å; F138-W196 AromaticContact CG-CZ3 3.95Å; F138-W196 HydrophobicContact CG-CZ3 3.95Å
139Q95.5Very high95.2Very high8 Ų818.4 Ų18.44%0.03710%0.095CC..Hα-helixtrans-65.3-37.5174-177.8179-22.200111.2S79 I130 A134 N136 F141 I142 G143S79-Q139 PolarHBondContact O-OE1 3.43Å; S79-Q139 VanDerWaalsContact O-OE1 3.06Å; I130-Q139 HydrophobicContact CG2-CG 3.93Å; A134-Q139 HydrophobicContact CB-CB 3.96Å; A134-Q139 HydrophobicContact CB-CG 3.78Å; N136-Q139 HydrophobicContact CB-CB 4.42Å; N136-Q139 WeakPolarHBondContact O-CB 3.45Å; N136-Q139 PolarHBondContact O-N 3.06Å; Q139-F141 VanDerWaalsContact C-N 3.31Å; Q139-F141 PolarHBondContact O-N 3.5Å; Q139-I142 PolarHBondContact O-N 3.46Å; Q139-G143 PolarHBondContact O-N 2.91Å; Q139-G143 VanDerWaalsContact O-N 3.11Å
140L95.8Very high95.2Very high8 Ų819.6 Ų19.64%0.04210%0.101CC..Hα-helixtrans-61.1-42.2173.3-160.3156.4000110.5L131 A134 N136 L137 F138 G143 W144 F182 L259L131-L140 HydrophobicContact CG-CD2 4.43Å; L131-L140 HydrophobicContact CG-CG 4.44Å; A134-L140 HydrophobicContact CB-CB 3.85Å; A134-L140 HydrophobicContact CB-CG 4.42Å; N136-L140 PolarHBondContact O-N 2.87Å; L137-L140 WeakPolarHBondContact O-CB 3.34Å; L137-L140 PolarHBondContact O-N 3.06Å; F138-L140 VanDerWaalsContact C-N 3.3Å; F138-L140 PolarHBondContact O-N 2.61Å; L140-G143 PolarHBondContact O-N 2.98Å; L140-W144 HydrophobicContact CD2-CE3 4.43Å; L140-W144 VanDerWaalsContact O-CB 3.27Å; L140-W144 WeakPolarHBondContact O-CB 3.19Å; L140-W144 PolarHBondContact O-N 2.79Å; L140-F182 HydrophobicContact CB-CZ 4.37Å; L140-F182 HydrophobicContact CD2-CE2 3.41Å; L140-F182 VanDerWaalsContact CD2-CE2 3.41Å; L140-F182 HydrophobicContact CD2-CZ 3.49Å; L140-F182 VanDerWaalsContact CD2-CZ 3.49Å; L140-F182 HydrophobicContact CG-CZ 4.48Å; L140-L259 HydrophobicContact CD2-CD1 4.1Å
141F96.4Very high95.2Very high39 Ų3917.4 Ų17.417%0.1719%0.09CC..Hα-helixtrans-63.2-39.3175.5-171.5-106.9000112.9L137 F138 Q139 G143 W144 E145 F182 I183 L186L137-F141 PolarHBondContact O-N 3.42Å; F138-F141 WeakPolarHBondContact O-CB 3.34Å; F138-F141 PolarHBondContact O-N 2.99Å; Q139-F141 VanDerWaalsContact C-N 3.31Å; Q139-F141 PolarHBondContact O-N 3.5Å; F141-G143 VanDerWaalsContact C-N 3.35Å; F141-G143 PolarHBondContact O-N 2.96Å; F141-W144 WeakPolarHBondContact O-CB 3.29Å; F141-W144 PolarHBondContact O-N 2.87Å; F141-E145 HydrophobicContact CD1-CG 4.19Å; F141-E145 HydrophobicContact CD2-CG 4.46Å; F141-E145 HydrophobicContact CE1-CG 3.73Å; F141-E145 HydrophobicContact CE2-CG 4.03Å; F141-E145 HydrophobicContact CZ-CG 3.63Å; F141-E145 WeakPolarHBondContact CZ-OE1 3.37Å; F141-E145 WeakPolarHBondContact O-CB 3.07Å; F141-E145 WeakPolarHBondContact O-CG 3.45Å; F141-E145 PolarHBondContact O-N 3.27Å; F141-F182 HydrophobicContact CB-CD1 4.43Å; F141-F182 HydrophobicContact CB-CE1 3.78Å; F141-F182 HydrophobicContact CB-CZ 4.1Å; F141-F182 AromaticContact CD2-CD1 3.6Å; F141-F182 HydrophobicContact CD2-CD1 3.6Å; F141-F182 AromaticContact CD2-CE1 3.82Å; F141-F182 HydrophobicContact CD2-CE1 3.82Å; F141-F182 HydrophobicContact CD2-CG 4.06Å; F141-F182 HydrophobicContact CD2-CZ 4.37Å; F141-F182 HydrophobicContact CE2-CD1 4.35Å; F141-F182 HydrophobicContact CG-CD1 4.39Å; F141-F182 HydrophobicContact CG-CE1 4.23Å; F141-I183 HydrophobicContact CE2-CD1 4.46Å; F141-I183 HydrophobicContact CE2-CG1 4.11Å; F141-I183 HydrophobicContact CZ-CD1 4.19Å; F141-I183 HydrophobicContact CZ-CG1 4.19Å; F141-L186 HydrophobicContact CB-CD1 4.37Å; F141-L186 HydrophobicContact CD2-CD1 4.41Å; F141-L186 HydrophobicContact CG-CD1 4.3Å
142I96.6Very high95.1Very high86 Ų8620.5 Ų20.544%0.44110%0.103SC..Hα-helixtrans-58.4-47.5172.9-68.7166.7000110.7F138 Q139 W144 G146F138-I142 HydrophobicContact CD1-CD1 3.91Å; F138-I142 HydrophobicContact CE1-CD1 3.47Å; F138-I142 VanDerWaalsContact CE1-CD1 3.47Å; F138-I142 HydrophobicContact CE1-CG1 4.17Å; F138-I142 HydrophobicContact CZ-CD1 4.13Å; F138-I142 HydrophobicContact CZ-CG1 4.43Å; F138-I142 PolarHBondContact O-N 2.9Å; Q139-I142 PolarHBondContact O-N 3.46Å; I142-W144 VanDerWaalsContact C-N 3.35Å; I142-G146 PolarHBondContact O-N 2.89Å
143G96.4Very high95.2Very high0 Ų023 Ų230%012%0.116CC..Hα-helixtrans-62.8-42175.900000112.4T127 Q139 L140 F141 E145 G146 V147T127-G143 WeakPolarHBondContact O-CA 3.4Å; Q139-G143 PolarHBondContact O-N 2.91Å; Q139-G143 VanDerWaalsContact O-N 3.11Å; L140-G143 PolarHBondContact O-N 2.98Å; F141-G143 VanDerWaalsContact C-N 3.35Å; F141-G143 PolarHBondContact O-N 2.96Å; G143-E145 PolarHBondContact O-N 2.88Å; G143-G146 PolarHBondContact O-N 3.48Å; G143-V147 WeakPolarHBondContact O-CB 3.45Å; G143-V147 VanDerWaalsContact O-CG2 3.29Å; G143-V147 WeakPolarHBondContact O-CG2 3.36Å; G143-V147 PolarHBondContact O-N 3.1Å
144W95.9Very high95.2Very high1 Ų123.1 Ų23.10%0.00412%0.117CC..Hα-helixtrans-59.5-46.8-179.5-177.8-89.9000113.2L131 L140 F141 I142 G148 D179 F182 A219 K223 A255 L259L131-W144 HydrophobicContact CD1-CB 4.33Å; L131-W144 HydrophobicContact CD1-CE3 4.3Å; L140-W144 HydrophobicContact CD2-CE3 4.43Å; L140-W144 VanDerWaalsContact O-CB 3.27Å; L140-W144 WeakPolarHBondContact O-CB 3.19Å; L140-W144 PolarHBondContact O-N 2.79Å; F141-W144 WeakPolarHBondContact O-CB 3.29Å; F141-W144 PolarHBondContact O-N 2.87Å; I142-W144 VanDerWaalsContact C-N 3.35Å; W144-G148 PolarHBondContact O-N 3.36Å; W144-D179 VanDerWaalsContact CD1-OD1 3.31Å; W144-D179 PolarHBondContact NE1-OD1 3.46Å; W144-F182 HydrophobicContact CD2-CD2 4.04Å; W144-F182 HydrophobicContact CD2-CE2 4.12Å; W144-F182 AromaticContact CE2-CD2 4Å; W144-F182 HydrophobicContact CE3-CD2 4.36Å; W144-F182 HydrophobicContact CE3-CE2 4.18Å; W144-F182 HydrophobicContact CG-CD2 4.4Å; W144-F182 HydrophobicContact CG-CE2 4.36Å; W144-F182 HydrophobicContact CZ2-CD2 4.25Å; W144-A219 HydrophobicContact CH2-CB 4.06Å; W144-A219 WeakPolarHBondContact CH2-O 3.4Å; W144-A219 HydrophobicContact CZ2-CB 3.86Å; W144-A219 WeakPolarHBondContact CZ2-O 3.34Å; W144-K223 HydrophobicContact CD2-CG 4.06Å; W144-K223 VanDerWaalsContact CE2-CE 3.45Å; W144-K223 VanDerWaalsContact CE2-CG 3.46Å; W144-K223 HydrophobicContact CE3-CG 4.25Å; W144-K223 HydrophobicContact CH2-CB 3.72Å; W144-K223 HydrophobicContact CH2-CG 3.33Å; W144-K223 HydrophobicContact CZ2-CB 3.94Å; W144-K223 HydrophobicContact CZ2-CD 4.19Å; W144-K223 HydrophobicContact CZ2-CG 3.08Å; W144-K223 HydrophobicContact CZ3-CB 4.29Å; W144-K223 HydrophobicContact CZ3-CG 3.91Å; W144-K223 PolarHBondContact O-NZ 2.92Å; W144-A255 HydrophobicContact CZ3-CB 4.45Å; W144-L259 HydrophobicContact CE3-CD1 4.32Å; W144-L259 HydrophobicContact CH2-CD1 4.19Å; W144-L259 HydrophobicContact CZ3-CB 4.22Å; W144-L259 HydrophobicContact CZ3-CD1 3.82Å
145E96.4Very high95.3Very high23 Ų2323 Ų2311%0.10712%0.115CC..Hα-helixtrans-69.6-44.6174.4-73.8-61.515400112.1F141 G143 V147 G148 I149 R176 D179F141-E145 HydrophobicContact CD1-CG 4.19Å; F141-E145 HydrophobicContact CD2-CG 4.46Å; F141-E145 HydrophobicContact CE1-CG 3.73Å; F141-E145 HydrophobicContact CE2-CG 4.03Å; F141-E145 HydrophobicContact CZ-CG 3.63Å; F141-E145 WeakPolarHBondContact CZ-OE1 3.37Å; F141-E145 WeakPolarHBondContact O-CB 3.07Å; F141-E145 WeakPolarHBondContact O-CG 3.45Å; F141-E145 PolarHBondContact O-N 3.27Å; G143-E145 PolarHBondContact O-N 2.88Å; E145-V147 VanDerWaalsContact C-N 3.32Å; E145-V147 PolarHBondContact O-N 2.66Å; E145-G148 CarbonylContact O-C 3.22Å; E145-G148 WeakPolarHBondContact O-CA 3.14Å; E145-G148 PolarHBondContact O-N 3.23Å; E145-I149 WeakPolarHBondContact O-CG1 3.33Å; E145-I149 PolarHBondContact O-N 2.93Å; E145-R176 IonicContact OE1-CZ 3.68Å; E145-R176 IonicContact OE1-NH1 2.65Å; E145-R176 PolarHBondContact OE1-NH1 3.41Å; E145-R176 IonicContact OE1-NH2 3.99Å; E145-R176 IonicContact OE2-CZ 3.11Å; E145-R176 IonicContact OE2-NH1 2.83Å; E145-R176 PolarHBondContact OE2-NH1 3.38Å; E145-R176 IonicContact OE2-NH2 2.67Å; E145-R176 PolarHBondContact OE2-NH2 3.46Å; E145-D179 VanDerWaalsContact OE1-CG 3.26Å
146G96.1Very high95.4Very high13 Ų1323.6 Ų23.613%0.13412%0.12CC..Hα-helixtrans-57.6-44.4179.300000112.2I142 G143 G148 M150I142-G146 PolarHBondContact O-N 2.89Å; G143-G146 PolarHBondContact O-N 3.48Å; G146-G148 VanDerWaalsContact C-N 3.32Å; G146-G148 PolarHBondContact O-N 3.46Å; G146-M150 WeakPolarHBondContact O-CB 3.34Å; G146-M150 VanDerWaalsContact O-CG 3.25Å; G146-M150 WeakPolarHBondContact O-CG 3.14Å; G146-M150 PolarHBondContact O-N 2.9Å
147V95.6Very high95.6Very high1 Ų124.5 Ų24.51%0.00612%0.123CC..Hα-helixtrans-62.3-39.9172.8168.90000111.1F124 M128 G143 E145 S151 M252F124-V147 HydrophobicContact CE2-CB 4.3Å; F124-V147 HydrophobicContact CE2-CG1 3.63Å; F124-V147 HydrophobicContact CZ-CG1 3.81Å; M128-V147 HydrophobicContact CB-CG2 4.12Å; M128-V147 HydrophobicContact SD-CG2 4.21Å; G143-V147 WeakPolarHBondContact O-CB 3.45Å; G143-V147 VanDerWaalsContact O-CG2 3.29Å; G143-V147 WeakPolarHBondContact O-CG2 3.36Å; G143-V147 PolarHBondContact O-N 3.1Å; E145-V147 VanDerWaalsContact C-N 3.32Å; E145-V147 PolarHBondContact O-N 2.66Å; V147-S151 WeakPolarHBondContact O-CB 3.35Å; V147-S151 PolarHBondContact O-N 3.44Å; V147-M252 HydrophobicContact CG1-CB 3.8Å; V147-M252 HydrophobicContact CG1-CG 3.84Å
148G94.8Very high95.7Very high2 Ų228.1 Ų28.12%0.02114%0.137CC..Hα-helixtrans-62.7-49.617700000113.5W144 E145 G146 S151 F152W144-G148 PolarHBondContact O-N 3.36Å; E145-G148 CarbonylContact O-C 3.22Å; E145-G148 WeakPolarHBondContact O-CA 3.14Å; E145-G148 PolarHBondContact O-N 3.23Å; G146-G148 VanDerWaalsContact C-N 3.32Å; G146-G148 PolarHBondContact O-N 3.46Å; G148-S151 PolarHBondContact O-N 2.85Å; G148-S151 PolarHBondContact O-OG 3.17Å; G148-F152 PolarHBondContact O-N 3.08Å; G148-F152 VanDerWaalsContact O-N 3.11Å
149I95.3Very high95.6Very high75 Ų7533.4 Ų33.439%0.38516%0.156SC..Hα-helixtrans-66.7-43-179.2-64165.9000110.9E145 S151 F152 L153E145-I149 WeakPolarHBondContact O-CG1 3.33Å; E145-I149 PolarHBondContact O-N 2.93Å; I149-S151 VanDerWaalsContact C-N 3.29Å; I149-S151 PolarHBondContact O-N 2.9Å; I149-F152 WeakPolarHBondContact O-CB 3.45Å; I149-F152 PolarHBondContact O-N 3.12Å; I149-L153 PolarHBondContact O-N 2.83Å; I149-L153 VanDerWaalsContact O-N 3.15Å
150M95.6Very high95.6Very high29 Ų2937.6 Ų37.614%0.14319%0.192CC..Hα-helixtrans-65.4-35177.1-67.7-59.6133.400111.7I123 F124 G146 F152 L153 L154I123-M150 HydrophobicContact CB-CG 4.49Å; I123-M150 HydrophobicContact CB-SD 3.97Å; I123-M150 HydrophobicContact CG2-CE 3.68Å; I123-M150 HydrophobicContact CG2-CG 3.89Å; I123-M150 HydrophobicContact CG2-SD 3.58Å; I123-M150 VanDerWaalsContact CG2-SD 3.58Å; F124-M150 HydrophobicContact CB-CB 3.96Å; F124-M150 HydrophobicContact CB-CG 4.39Å; F124-M150 HydrophobicContact CD2-CB 3.7Å; F124-M150 HydrophobicContact CG-CB 4.32Å; G146-M150 WeakPolarHBondContact O-CB 3.34Å; G146-M150 VanDerWaalsContact O-CG 3.25Å; G146-M150 WeakPolarHBondContact O-CG 3.14Å; G146-M150 PolarHBondContact O-N 2.9Å; M150-F152 VanDerWaalsContact C-N 3.34Å; M150-F152 PolarHBondContact O-N 3.23Å; M150-L153 HydrophobicContact CE-CD1 4.26Å; M150-L153 PolarHBondContact O-N 3.27Å; M150-L153 HydrophobicContact SD-CD1 4.26Å; M150-L154 WeakPolarHBondContact O-CB 3.32Å; M150-L154 VanDerWaalsContact O-CG 3.28Å; M150-L154 WeakPolarHBondContact O-CG 3.46Å; M150-L154 PolarHBondContact O-N 3.41Å
151S94.2Very high95.5Very high1 Ų143.7 Ų43.71%0.00722%0.215CC..Hα-helixtrans-62.5-40.5173.377.10000112.3V147 G148 I149 L153 L154 I155 M252V147-S151 WeakPolarHBondContact O-CB 3.35Å; V147-S151 PolarHBondContact O-N 3.44Å; G148-S151 PolarHBondContact O-N 2.85Å; G148-S151 PolarHBondContact O-OG 3.17Å; I149-S151 VanDerWaalsContact C-N 3.29Å; I149-S151 PolarHBondContact O-N 2.9Å; S151-L153 PolarHBondContact O-N 2.78Å; S151-L154 PolarHBondContact O-N 3.03Å; S151-I155 WeakPolarHBondContact O-CB 3.48Å; S151-I155 WeakPolarHBondContact O-CD1 3.24Å; S151-I155 WeakPolarHBondContact O-CG1 3.43Å; S151-I155 PolarHBondContact O-N 2.9Å; S151-M252 WeakPolarHBondContact CB-SD 3.38Å; S151-M252 VanDerWaalsContact OG-CE 3.27Å; S151-M252 WeakPolarHBondContact OG-CE 3.36Å
152F95.4Very high95.5Very high65 Ų6545.1 Ų45.129%0.28523%0.233SC..Hα-helixtrans-58.9-49.2175.6169.7-95000111.6G148 I149 M150 L154 I155 S156 A168 I169 I172G148-F152 PolarHBondContact O-N 3.08Å; G148-F152 VanDerWaalsContact O-N 3.11Å; I149-F152 WeakPolarHBondContact O-CB 3.45Å; I149-F152 PolarHBondContact O-N 3.12Å; M150-F152 VanDerWaalsContact C-N 3.34Å; M150-F152 PolarHBondContact O-N 3.23Å; F152-L154 VanDerWaalsContact C-N 3.34Å; F152-L154 PolarHBondContact O-N 3.14Å; F152-I155 PolarHBondContact O-N 3.05Å; F152-S156 WeakPolarHBondContact O-CB 2.99Å; F152-S156 PolarHBondContact O-N 3.28Å; F152-A168 HydrophobicContact CD2-CB 3.6Å; F152-A168 WeakPolarHBondContact CD2-O 3.01Å; F152-A168 HydrophobicContact CE2-CB 3.77Å; F152-A168 HydrophobicContact CG-CB 4.42Å; F152-I169 HydrophobicContact CE2-CG1 4.12Å; F152-I172 HydrophobicContact CB-CD1 3.86Å; F152-I172 HydrophobicContact CD2-CB 4.48Å; F152-I172 HydrophobicContact CD2-CD1 4.38Å; F152-I172 HydrophobicContact CG-CD1 4.2Å
153L96.3Very high95.4Very high54 Ų5446.2 Ų46.228%0.28324%0.24SC..Hα-helixtrans-65-35.9179.4-66.3174.9000112.9Y120 I149 M150 S151 S156 W157Y120-L153 HydrophobicContact CD2-CB 4.46Å; Y120-L153 HydrophobicContact CE2-CB 4.36Å; I149-L153 PolarHBondContact O-N 2.83Å; I149-L153 VanDerWaalsContact O-N 3.15Å; M150-L153 HydrophobicContact CE-CD1 4.26Å; M150-L153 PolarHBondContact O-N 3.27Å; M150-L153 HydrophobicContact SD-CD1 4.26Å; S151-L153 PolarHBondContact O-N 2.78Å; L153-S156 CarbonylContact O-C 3.29Å; L153-W157 PolarHBondContact O-N 3.28Å
154L96Very high95.3Very high2 Ų246.3 Ų46.31%0.0124%0.241CC..Hα-helixtrans-79.6-31.7-179.1-71.8173.3000113.1F117 Y120 F124 M150 S151 F152 V243F117-L154 HydrophobicContact CD2-CD2 4.39Å; F117-L154 HydrophobicContact CE2-CD2 4.27Å; Y120-L154 HydrophobicContact CD2-CD2 4.36Å; F124-L154 HydrophobicContact CB-CD1 4.31Å; F124-L154 HydrophobicContact CD2-CD1 4.37Å; F124-L154 HydrophobicContact CG-CD1 4.44Å; M150-L154 WeakPolarHBondContact O-CB 3.32Å; M150-L154 VanDerWaalsContact O-CG 3.28Å; M150-L154 WeakPolarHBondContact O-CG 3.46Å; M150-L154 PolarHBondContact O-N 3.41Å; S151-L154 PolarHBondContact O-N 3.03Å; F152-L154 VanDerWaalsContact C-N 3.34Å; F152-L154 PolarHBondContact O-N 3.14Å; L154-V243 HydrophobicContact CB-CB 4.41Å; L154-V243 HydrophobicContact CB-CG1 3.62Å; L154-V243 HydrophobicContact CB-CG2 3.86Å; L154-V243 HydrophobicContact CD1-CG1 4.47Å; L154-V243 HydrophobicContact CD1-CG2 4.38Å; L154-V243 HydrophobicContact CD2-CG2 3.9Å; L154-V243 HydrophobicContact CG-CG2 4.27Å
155I96.1Very high95.3Very high1 Ų148.7 Ų48.71%0.00525%0.254CS..Hα-helixtrans-70-45.1172.3-65.7163.7000109.6S151 F152 W157 A167 A168 A171 A236 L247S151-I155 WeakPolarHBondContact O-CB 3.48Å; S151-I155 WeakPolarHBondContact O-CD1 3.24Å; S151-I155 WeakPolarHBondContact O-CG1 3.43Å; S151-I155 PolarHBondContact O-N 2.9Å; F152-I155 PolarHBondContact O-N 3.05Å; I155-W157 PolarHBondContact O-N 3.38Å; I155-W157 VanDerWaalsContact O-N 3.1Å; I155-A167 HydrophobicContact CG2-CB 4.1Å; I155-A168 HydrophobicContact CB-CB 4.16Å; I155-A168 HydrophobicContact CG2-CB 3.98Å; I155-A171 HydrophobicContact CD1-CB 3.97Å; I155-A236 HydrophobicContact CD1-CB 3.75Å; I155-A236 HydrophobicContact CG1-CB 4.18Å; I155-L247 HydrophobicContact CD1-CD1 4.5Å; I155-L247 HydrophobicContact CG1-CD1 4.25Å
156S95.9Very high95.3Very high21 Ų2151.6 Ų51.615%0.14727%0.273CS..THydrogen-bonded Turntrans-82.534.9175.8-174.80000112.5F152 L153 Y159 N165F152-S156 WeakPolarHBondContact O-CB 2.99Å; F152-S156 PolarHBondContact O-N 3.28Å; L153-S156 CarbonylContact O-C 3.29Å; S156-Y159 PolarHBondContact O-N 3.03Å; S156-N165 PolarHBondContact OG-OD1 3.07Å
157W95.9Very high95.2Very high25 Ų2551 Ų5110%0.09527%0.267CS..THydrogen-bonded Turntrans-61.6-49.1179.1179.9-107.2000111.6D111 N113 Q116 F117 Y120 L153 I155 Y159 P240D111-W157 PolarHBondContact OD2-NE1 3.3Å; N113-W157 HydrophobicContact CB-CH2 4.11Å; N113-W157 HydrophobicContact CB-CZ2 4.03Å; N113-W157 WeakPolarHBondContact O-CH2 3.39Å; Q116-W157 HydrophobicContact CB-CH2 4.1Å; Q116-W157 HydrophobicContact CG-CH2 4.21Å; Q116-W157 HydrophobicContact CG-CZ3 4.19Å; F117-W157 HydrophobicContact CB-CH2 3.65Å; F117-W157 HydrophobicContact CB-CZ2 3.84Å; F117-W157 HydrophobicContact CB-CZ3 4.13Å; F117-W157 HydrophobicContact CD2-CD2 4.07Å; F117-W157 HydrophobicContact CD2-CE3 4.17Å; F117-W157 HydrophobicContact CD2-CH2 4.43Å; F117-W157 HydrophobicContact CD2-CZ2 4.32Å; F117-W157 HydrophobicContact CD2-CZ3 4.35Å; Y120-W157 HydrophobicContact CD2-CE3 4.31Å; Y120-W157 AromaticContact CD2-CZ3 3.87Å; Y120-W157 HydrophobicContact CD2-CZ3 3.87Å; Y120-W157 AromaticContact CE2-CZ3 4Å; Y120-W157 HydrophobicContact CE2-CZ3 4Å; L153-W157 PolarHBondContact O-N 3.28Å; I155-W157 PolarHBondContact O-N 3.38Å; I155-W157 VanDerWaalsContact O-N 3.1Å; W157-Y159 VanDerWaalsContact C-N 3.29Å; W157-Y159 PolarHBondContact O-N 3.18Å; W157-Y159 VanDerWaalsContact O-N 3.15Å; W157-P240 HydrophobicContact CB-CG 4.31Å; W157-P240 HydrophobicContact CG-CG 4.48Å
158W94.6Very high95.3Very high77 Ų7751 Ų5129%0.29227%0.267SS..THydrogen-bonded Turntrans-8969.3172.4-60.6-52.9000110.4A160 R161 P240W158-A160 PolarHBondContact O-N 3.37Å; W158-R161 HydrophobicContact CB-CG 4.45Å; W158-R161 PolarHBondContact O-N 3.31Å; W158-P240 HydrophobicContact CH2-CB 3.97Å; W158-P240 HydrophobicContact CZ2-CB 4.4Å; W158-P240 HydrophobicContact CZ3-CB 4.4Å
159Y93.3Very high95.3Very high171 Ų17155.6 Ų55.667%0.67129%0.29SS*.THydrogen-bonded Turntrans-55.3-17.7-17660.3-93.8000115.2S156 W157 R161 N165S156-Y159 PolarHBondContact O-N 3.03Å; W157-Y159 VanDerWaalsContact C-N 3.29Å; W157-Y159 PolarHBondContact O-N 3.18Å; W157-Y159 VanDerWaalsContact O-N 3.15Å; Y159-R161 VanDerWaalsContact C-N 3.29Å; Y159-N165 PolarHBondContact O-ND2 3.04Å; Y159-N165 PolarHBondContact O-OD1 3.17Å
160A94.3Very high95.3Very high95 Ų9553.6 Ų53.679%0.78528%0.279SS*.THydrogen-bonded Turntrans-71.8-21.8174.200000113W158W158-A160 PolarHBondContact O-N 3.37Å
161R93.9Very high95.2Very high137 Ų13752.2 Ų52.252%0.51727%0.273SS..  trans-83.3119.2177.6-66.6-173.9-179-175.51.7110W158 Y159 D163 A164 N165W158-R161 HydrophobicContact CB-CG 4.45Å; W158-R161 PolarHBondContact O-N 3.31Å; Y159-R161 VanDerWaalsContact C-N 3.29Å; R161-D163 VanDerWaalsContact C-N 3.28Å; R161-D163 PolarHBondContact O-N 3.11Å; R161-A164 HydrophobicContact CB-CB 4.08Å; R161-A164 PolarHBondContact O-N 3.26Å; R161-N165 PolarHBondContact O-N 3.08Å
162A96.1Very high95.3Very high68 Ų6854.2 Ų54.256%0.56228%0.283SS*.Hα-helixtrans-57.5-41.6178.100000112A164 N165 T166A162-A164 VanDerWaalsContact C-N 3.32Å; A162-A164 PolarHBondContact O-N 3.36Å; A162-N165 PolarHBondContact O-N 3.09Å; A162-N165 VanDerWaalsContact O-N 3.15Å; A162-T166 WeakPolarHBondContact O-CG2 3.21Å; A162-T166 PolarHBondContact O-N 3.23Å; A162-T166 PolarHBondContact O-OG1 2.93Å
163D94.6Very high95.3Very high109 Ų10955.7 Ų55.758%0.58329%0.293SS*.Hα-helixtrans-64.2-34.1-179.5-60.5-36.8000113.2R161 T166 A167 E238R161-D163 VanDerWaalsContact C-N 3.28Å; R161-D163 PolarHBondContact O-N 3.11Å; D163-T166 WeakPolarHBondContact CA-OG1 3.33Å; D163-T166 PolarHBondContact O-OG1 2.65Å; D163-A167 VanDerWaalsContact O-CB 3.24Å; D163-A167 WeakPolarHBondContact O-CB 3.39Å; D163-A167 PolarHBondContact O-N 3.43Å; D163-E238 HydrophobicContact CB-CG 4.47Å
164A94.7Very high95.2Very high2 Ų253.9 Ų53.92%0.01728%0.283CS..Hα-helixtrans-69-38.1175.500000111.3R161 A162 A168 E238R161-A164 HydrophobicContact CB-CB 4.08Å; R161-A164 PolarHBondContact O-N 3.26Å; A162-A164 VanDerWaalsContact C-N 3.32Å; A162-A164 PolarHBondContact O-N 3.36Å; A164-A168 WeakPolarHBondContact O-CB 3.4Å; A164-A168 PolarHBondContact O-N 3.46Å; A164-E238 HydrophobicContact CB-CB 4.38Å
165N96Very high95.2Very high51 Ų5153.9 Ų53.927%0.27328%0.283SS..Hα-helixtrans-70.7-42.3178-64.6-15.2000111.7S156 Y159 R161 A162 A167 A168 I169S156-N165 PolarHBondContact OG-OD1 3.07Å; Y159-N165 PolarHBondContact O-ND2 3.04Å; Y159-N165 PolarHBondContact O-OD1 3.17Å; R161-N165 PolarHBondContact O-N 3.08Å; A162-N165 PolarHBondContact O-N 3.09Å; A162-N165 VanDerWaalsContact O-N 3.15Å; N165-A167 VanDerWaalsContact C-N 3.34Å; N165-A168 PolarHBondContact O-N 3.16Å; N165-I169 WeakPolarHBondContact O-CG1 3.36Å; N165-I169 PolarHBondContact O-N 2.87Å
166T96.1Very high95.2Very high84 Ų8458.9 Ų58.952%0.51530%0.301SS..Hα-helixtrans-63.5-42.5175.357.50000110.7A162 D163 A168 I169 Q170A162-T166 WeakPolarHBondContact O-CG2 3.21Å; A162-T166 PolarHBondContact O-N 3.23Å; A162-T166 PolarHBondContact O-OG1 2.93Å; D163-T166 WeakPolarHBondContact CA-OG1 3.33Å; D163-T166 PolarHBondContact O-OG1 2.65Å; T166-A168 PolarHBondContact O-N 3.01Å; T166-I169 PolarHBondContact O-N 3.45Å; T166-Q170 VanDerWaalsContact O-CB 3.24Å; T166-Q170 WeakPolarHBondContact O-CB 3.34Å; T166-Q170 PolarHBondContact O-N 2.97Å
167A95.6Very high95.2Very high2 Ų260.7 Ų60.72%0.01731%0.309CS..Hα-helixtrans-61.5-41.8174.600000112.8I155 D163 N165 Q170 A171 S235I155-A167 HydrophobicContact CG2-CB 4.1Å; D163-A167 VanDerWaalsContact O-CB 3.24Å; D163-A167 WeakPolarHBondContact O-CB 3.39Å; D163-A167 PolarHBondContact O-N 3.43Å; N165-A167 VanDerWaalsContact C-N 3.34Å; A167-Q170 WeakPolarHBondContact O-CB 3.2Å; A167-Q170 PolarHBondContact O-N 3.34Å; A167-A171 PolarHBondContact O-N 3.19Å; A167-S235 VanDerWaalsContact CB-O 3.31Å; A167-S235 WeakPolarHBondContact CB-O 3.38Å
168A95.9Very high95.2Very high0 Ų059.5 Ų59.50%030%0.304CS..Hα-helixtrans-65.9-45.217800000112.1F152 I155 A164 N165 T166 Q170 A171 I172F152-A168 HydrophobicContact CD2-CB 3.6Å; F152-A168 WeakPolarHBondContact CD2-O 3.01Å; F152-A168 HydrophobicContact CE2-CB 3.77Å; F152-A168 HydrophobicContact CG-CB 4.42Å; I155-A168 HydrophobicContact CB-CB 4.16Å; I155-A168 HydrophobicContact CG2-CB 3.98Å; A164-A168 WeakPolarHBondContact O-CB 3.4Å; A164-A168 PolarHBondContact O-N 3.46Å; N165-A168 PolarHBondContact O-N 3.16Å; T166-A168 PolarHBondContact O-N 3.01Å; A168-Q170 VanDerWaalsContact C-N 3.3Å; A168-Q170 PolarHBondContact O-N 3.44Å; A168-A171 PolarHBondContact O-N 2.91Å; A168-I172 PolarHBondContact O-N 3.08Å
169I95.1Very high95.3Very high98 Ų9856 Ų5650%0.50329%0.291SS..Hα-helixtrans-63.5-39175.2-66.8167.6000110.5F152 N165 T166 A171 I172 L173F152-I169 HydrophobicContact CE2-CG1 4.12Å; N165-I169 WeakPolarHBondContact O-CG1 3.36Å; N165-I169 PolarHBondContact O-N 2.87Å; T166-I169 PolarHBondContact O-N 3.45Å; I169-A171 PolarHBondContact O-N 2.97Å; I169-I172 WeakPolarHBondContact O-CG2 3.28Å; I169-I172 PolarHBondContact O-N 2.88Å; I169-L173 WeakPolarHBondContact O-CB 3.42Å; I169-L173 PolarHBondContact O-N 3.15Å
170Q94.9Very high95.5Very high34 Ų3453.2 Ų53.216%0.15929%0.287CS..Hα-helixtrans-59.2-48.9175.1-171.6-168.8-16.200110.5T166 A167 A168 I172 L173 Y174 P231 W232 S235 H534T166-Q170 VanDerWaalsContact O-CB 3.24Å; T166-Q170 WeakPolarHBondContact O-CB 3.34Å; T166-Q170 PolarHBondContact O-N 2.97Å; A167-Q170 WeakPolarHBondContact O-CB 3.2Å; A167-Q170 PolarHBondContact O-N 3.34Å; A168-Q170 VanDerWaalsContact C-N 3.3Å; A168-Q170 PolarHBondContact O-N 3.44Å; Q170-I172 PolarHBondContact O-N 3.17Å; Q170-L173 PolarHBondContact O-N 2.97Å; Q170-Y174 HydrophobicContact CG-CD2 3.72Å; Q170-Y174 HydrophobicContact CG-CE2 3.51Å; Q170-Y174 WeakPolarHBondContact O-CD2 3.44Å; Q170-Y174 PolarHBondContact O-N 3.4Å; Q170-P231 PolarHBondContact NE2-O 3.08Å; Q170-W232 HydrophobicContact CG-CB 4.35Å; Q170-S235 VanDerWaalsContact CD-OG 3.28Å; Q170-S235 PolarHBondContact NE2-OG 2.88Å; Q170-S235 PolarHBondContact OE1-OG 3.35Å; Q170-H534 PolarHBondContact NE2-CE1 3.01Å
171A94.5Very high95.6Very high0 Ų048.8 Ų48.80%025%0.25CC..Hα-helixtrans-59.6-41.8177.700000112.9I155 A167 A168 I169 N175 W232I155-A171 HydrophobicContact CD1-CB 3.97Å; A167-A171 PolarHBondContact O-N 3.19Å; A168-A171 PolarHBondContact O-N 2.91Å; I169-A171 PolarHBondContact O-N 2.97Å; A171-N175 WeakPolarHBondContact O-CB 3.39Å; A171-N175 PolarHBondContact O-N 3.42Å; A171-N175 VanDerWaalsContact O-N 3.1Å; A171-N175 PolarHBondContact O-ND2 3.02Å; A171-W232 HydrophobicContact CB-CB 4.31Å; A171-W232 HydrophobicContact CB-CE3 3.95Å
172I95.6Very high95.7Very high43 Ų4342.3 Ų42.322%0.22123%0.226CC..Hα-helixtrans-65.7-41.5177.5-149.2115000111.2F152 A168 I169 Q170 N175 R176F152-I172 HydrophobicContact CB-CD1 3.86Å; F152-I172 HydrophobicContact CD2-CB 4.48Å; F152-I172 HydrophobicContact CD2-CD1 4.38Å; F152-I172 HydrophobicContact CG-CD1 4.2Å; A168-I172 PolarHBondContact O-N 3.08Å; I169-I172 WeakPolarHBondContact O-CG2 3.28Å; I169-I172 PolarHBondContact O-N 2.88Å; Q170-I172 PolarHBondContact O-N 3.17Å; I172-N175 PolarHBondContact O-N 3.42Å; I172-R176 HydrophobicContact CG1-CG 4.46Å; I172-R176 WeakPolarHBondContact O-CB 3.4Å; I172-R176 WeakPolarHBondContact O-CG 3.34Å; I172-R176 PolarHBondContact O-N 2.86Å
173L95.6Very high95.7Very high95 Ų9543.2 Ų43.250%0.49722%0.22SC..Hα-helixtrans-62.4-48.6-179.1-165.7164000111.4I169 Q170 N175 R176 I177I169-L173 WeakPolarHBondContact O-CB 3.42Å; I169-L173 PolarHBondContact O-N 3.15Å; Q170-L173 PolarHBondContact O-N 2.97Å; L173-N175 VanDerWaalsContact C-N 3.33Å; L173-N175 PolarHBondContact O-N 3.28Å; L173-R176 WeakPolarHBondContact O-CB 3.49Å; L173-R176 PolarHBondContact O-N 3.05Å; L173-I177 HydrophobicContact CD2-CD1 3.65Å; L173-I177 HydrophobicContact CD2-CG1 4.25Å; L173-I177 WeakPolarHBondContact O-CG1 3.28Å; L173-I177 PolarHBondContact O-N 3.37Å; L173-I177 VanDerWaalsContact O-N 3.08Å
174Y95.6Very high95.7Very high17 Ų1742.4 Ų42.47%0.06722%0.215CC..Hα-helixtrans-63.4-38.8177.8-79.8-73.3000112.7Q170 R176 I177 G178 L229 P231 W232 H534Q170-Y174 HydrophobicContact CG-CD2 3.72Å; Q170-Y174 HydrophobicContact CG-CE2 3.51Å; Q170-Y174 WeakPolarHBondContact O-CD2 3.44Å; Q170-Y174 PolarHBondContact O-N 3.4Å; Y174-R176 VanDerWaalsContact C-N 3.35Å; Y174-I177 PolarHBondContact O-N 2.74Å; Y174-G178 PolarHBondContact O-N 3.42Å; Y174-L229 HydrophobicContact CD1-CB 3.79Å; Y174-L229 HydrophobicContact CD1-CD2 3.52Å; Y174-L229 HydrophobicContact CD1-CG 4.22Å; Y174-L229 HydrophobicContact CE1-CB 4.37Å; Y174-L229 HydrophobicContact CE1-CD2 3.84Å; Y174-P231 HydrophobicContact CE2-CB 4.49Å; Y174-W232 HydrophobicContact CD2-CB 3.71Å; Y174-W232 HydrophobicContact CD2-CG 4.32Å; Y174-W232 HydrophobicContact CE2-CB 4.43Å; Y174-W232 HydrophobicContact CG-CB 4.26Å; Y174-W232 AromaticContact CG-CD1 3.84Å; Y174-W232 HydrophobicContact CG-CG 4.4Å; Y174-H534 AromaticContact CE2-NE2 3.81Å; Y174-H534 AromaticContact CZ-NE2 3.75Å; Y174-H534 PolarHBondContact OH-CD2 3.34Å; Y174-H534 PolarHBondContact OH-NE2 3.06Å
175N94.8Very high95.7Very high2 Ų242.3 Ų42.31%0.01122%0.215CC..Hα-helixtrans-63.3-42.3174.5-70.7-25.1000111.5A171 I172 L173 I177 G178 D179 K223 M252A171-N175 WeakPolarHBondContact O-CB 3.39Å; A171-N175 PolarHBondContact O-N 3.42Å; A171-N175 VanDerWaalsContact O-N 3.1Å; A171-N175 PolarHBondContact O-ND2 3.02Å; I172-N175 PolarHBondContact O-N 3.42Å; L173-N175 VanDerWaalsContact C-N 3.33Å; L173-N175 PolarHBondContact O-N 3.28Å; N175-I177 VanDerWaalsContact C-N 3.29Å; N175-I177 PolarHBondContact O-N 3.08Å; N175-G178 CarbonylContact O-C 3.19Å; N175-G178 VanDerWaalsContact O-CA 3.31Å; N175-G178 WeakPolarHBondContact O-CA 3.34Å; N175-G178 PolarHBondContact O-N 3.19Å; N175-D179 PolarHBondContact O-N 3.4Å; N175-D179 VanDerWaalsContact O-OD1 3.05Å; N175-K223 HydrophobicContact CB-CD 4.39Å; N175-K223 WeakPolarHBondContact OD1-CD 3.22Å; N175-M252 WeakPolarHBondContact ND2-CE 3.49Å
176R96.4Very high95.6Very high106 Ų10640.9 Ų40.940%0.421%0.207SC..Hα-helixtrans-61-35.8177.6-69.4-79.7168.9-135.91113E145 I172 L173 Y174 G178 D179 I180E145-R176 IonicContact OE1-CZ 3.68Å; E145-R176 IonicContact OE1-NH1 2.65Å; E145-R176 PolarHBondContact OE1-NH1 3.41Å; E145-R176 IonicContact OE1-NH2 3.99Å; E145-R176 IonicContact OE2-CZ 3.11Å; E145-R176 IonicContact OE2-NH1 2.83Å; E145-R176 PolarHBondContact OE2-NH1 3.38Å; E145-R176 IonicContact OE2-NH2 2.67Å; E145-R176 PolarHBondContact OE2-NH2 3.46Å; I172-R176 HydrophobicContact CG1-CG 4.46Å; I172-R176 WeakPolarHBondContact O-CB 3.4Å; I172-R176 WeakPolarHBondContact O-CG 3.34Å; I172-R176 PolarHBondContact O-N 2.86Å; L173-R176 WeakPolarHBondContact O-CB 3.49Å; L173-R176 PolarHBondContact O-N 3.05Å; Y174-R176 VanDerWaalsContact C-N 3.35Å; R176-G178 VanDerWaalsContact C-N 3.29Å; R176-G178 PolarHBondContact O-N 2.89Å; R176-D179 VanDerWaalsContact CA-OD2 3.29Å; R176-D179 WeakPolarHBondContact CA-OD2 2.94Å; R176-D179 WeakPolarHBondContact CD-OD2 3.47Å; R176-D179 IonicContact CZ-OD2 3.56Å; R176-D179 IonicContact NE-OD2 3.81Å; R176-D179 IonicContact NH1-OD2 2.81Å; R176-D179 PolarHBondContact NH1-OD2 3.47Å; R176-D179 WeakPolarHBondContact O-CB 3.5Å; R176-D179 PolarHBondContact O-N 2.94Å; R176-I180 PolarHBondContact O-N 3.27Å
177I96.6Very high95.5Very high58 Ų5839 Ų3930%0.29720%0.2SC..Hα-helixtrans-61.7-40.8171.4-65167.7000110.6L173 Y174 N175 I180 L229L173-I177 HydrophobicContact CD2-CD1 3.65Å; L173-I177 HydrophobicContact CD2-CG1 4.25Å; L173-I177 WeakPolarHBondContact O-CG1 3.28Å; L173-I177 PolarHBondContact O-N 3.37Å; L173-I177 VanDerWaalsContact O-N 3.08Å; Y174-I177 PolarHBondContact O-N 2.74Å; N175-I177 VanDerWaalsContact C-N 3.29Å; N175-I177 PolarHBondContact O-N 3.08Å; I177-I180 WeakPolarHBondContact O-CB 3.48Å; I177-I180 PolarHBondContact O-N 3.01Å; I177-L229 HydrophobicContact CB-CD2 4.41Å; I177-L229 HydrophobicContact CD1-CD2 4.06Å; I177-L229 HydrophobicContact CG2-CD1 4.02Å; I177-L229 HydrophobicContact CG2-CD2 3.99Å
178G95.8Very high95.3Very high0 Ų040.9 Ų40.90%021%0.206CC..Hα-helixtrans-65-39.1172.800000113Y174 N175 R176 I180 G181 F182 A219Y174-G178 PolarHBondContact O-N 3.42Å; N175-G178 CarbonylContact O-C 3.19Å; N175-G178 VanDerWaalsContact O-CA 3.31Å; N175-G178 WeakPolarHBondContact O-CA 3.34Å; N175-G178 PolarHBondContact O-N 3.19Å; R176-G178 VanDerWaalsContact C-N 3.29Å; R176-G178 PolarHBondContact O-N 2.89Å; G178-I180 PolarHBondContact O-N 3.5Å; G178-G181 WeakPolarHBondContact O-CA 3.5Å; G178-G181 PolarHBondContact O-N 2.96Å; G178-F182 PolarHBondContact O-N 3.32Å; G178-F182 VanDerWaalsContact O-N 3.14Å; G178-A219 VanDerWaalsContact O-CA 3.31Å; G178-A219 WeakPolarHBondContact O-CA 3.32Å; G178-A219 WeakPolarHBondContact O-CB 3.49Å
179D96.1Very high95.1Very high4 Ų441 Ų412%0.02121%0.207CC..Hα-helixtrans-61.1-31.8179.8-54.6-22.4000111.7W144 E145 N175 R176 G181 F182 I183W144-D179 VanDerWaalsContact CD1-OD1 3.31Å; W144-D179 PolarHBondContact NE1-OD1 3.46Å; E145-D179 VanDerWaalsContact OE1-CG 3.26Å; N175-D179 PolarHBondContact O-N 3.4Å; N175-D179 VanDerWaalsContact O-OD1 3.05Å; R176-D179 VanDerWaalsContact CA-OD2 3.29Å; R176-D179 WeakPolarHBondContact CA-OD2 2.94Å; R176-D179 WeakPolarHBondContact CD-OD2 3.47Å; R176-D179 IonicContact CZ-OD2 3.56Å; R176-D179 IonicContact NE-OD2 3.81Å; R176-D179 IonicContact NH1-OD2 2.81Å; R176-D179 PolarHBondContact NH1-OD2 3.47Å; R176-D179 WeakPolarHBondContact O-CB 3.5Å; R176-D179 PolarHBondContact O-N 2.94Å; D179-G181 VanDerWaalsContact C-N 3.27Å; D179-G181 PolarHBondContact O-N 3.48Å; D179-F182 PolarHBondContact O-N 3.44Å; D179-I183 WeakPolarHBondContact O-CB 3.17Å; D179-I183 VanDerWaalsContact O-CG1 3.28Å; D179-I183 WeakPolarHBondContact O-CG1 3.35Å; D179-I183 PolarHBondContact O-N 3.09Å
180I97.3Very high94.9Very high113 Ų11338.7 Ų38.758%0.57920%0.195SC*.Hα-helixtrans-56.7-44.2172.4-63.2167.6000110.6R176 I177 G178 L184R176-I180 PolarHBondContact O-N 3.27Å; I177-I180 WeakPolarHBondContact O-CB 3.48Å; I177-I180 PolarHBondContact O-N 3.01Å; G178-I180 PolarHBondContact O-N 3.5Å; I180-L184 VanDerWaalsContact O-CB 3.32Å; I180-L184 WeakPolarHBondContact O-CB 3.35Å; I180-L184 PolarHBondContact O-N 3.13Å
181G96.1Very high94.7Very high1 Ų143.8 Ų43.81%0.0122%0.223CC..Hα-helixtrans-66.9-3917700000112.8G178 D179 L184 A185 G215G178-G181 WeakPolarHBondContact O-CA 3.5Å; G178-G181 PolarHBondContact O-N 2.96Å; D179-G181 VanDerWaalsContact C-N 3.27Å; D179-G181 PolarHBondContact O-N 3.48Å; G181-L184 WeakPolarHBondContact O-CB 3.24Å; G181-L184 PolarHBondContact O-N 3.29Å; G181-A185 PolarHBondContact O-N 3.05Å; G181-A185 VanDerWaalsContact O-N 3.08Å; G181-G215 CarbonylContact C-O 3.54Å; G181-G215 VanDerWaalsContact CA-O 3.26Å; G181-G215 WeakPolarHBondContact CA-O 3.49Å; G181-G215 CarbonylContact O-C 3.28Å; G181-G215 VanDerWaalsContact O-C 3.28Å; G181-G215 VanDerWaalsContact O-CA 3.23Å; G181-G215 WeakPolarHBondContact O-CA 3.45Å
182F95.8Very high94.4Very high1 Ų149.5 Ų49.50%0.00425%0.249CC..Hα-helixtrans-64.7-47.8176.7-162.4-64.5000111.3L137 L140 F141 W144 G178 D179 L184 A185 L186 A219 L259L137-F182 HydrophobicContact CD2-CE1 4.27Å; L137-F182 HydrophobicContact CD2-CZ 4.11Å; L140-F182 HydrophobicContact CB-CZ 4.37Å; L140-F182 HydrophobicContact CD2-CE2 3.41Å; L140-F182 VanDerWaalsContact CD2-CE2 3.41Å; L140-F182 HydrophobicContact CD2-CZ 3.49Å; L140-F182 VanDerWaalsContact CD2-CZ 3.49Å; L140-F182 HydrophobicContact CG-CZ 4.48Å; F141-F182 HydrophobicContact CB-CD1 4.43Å; F141-F182 HydrophobicContact CB-CE1 3.78Å; F141-F182 HydrophobicContact CB-CZ 4.1Å; F141-F182 AromaticContact CD2-CD1 3.6Å; F141-F182 HydrophobicContact CD2-CD1 3.6Å; F141-F182 AromaticContact CD2-CE1 3.82Å; F141-F182 HydrophobicContact CD2-CE1 3.82Å; F141-F182 HydrophobicContact CD2-CG 4.06Å; F141-F182 HydrophobicContact CD2-CZ 4.37Å; F141-F182 HydrophobicContact CE2-CD1 4.35Å; F141-F182 HydrophobicContact CG-CD1 4.39Å; F141-F182 HydrophobicContact CG-CE1 4.23Å; W144-F182 HydrophobicContact CD2-CD2 4.04Å; W144-F182 HydrophobicContact CD2-CE2 4.12Å; W144-F182 AromaticContact CE2-CD2 4Å; W144-F182 HydrophobicContact CE3-CD2 4.36Å; W144-F182 HydrophobicContact CE3-CE2 4.18Å; W144-F182 HydrophobicContact CG-CD2 4.4Å; W144-F182 HydrophobicContact CG-CE2 4.36Å; W144-F182 HydrophobicContact CZ2-CD2 4.25Å; G178-F182 PolarHBondContact O-N 3.32Å; G178-F182 VanDerWaalsContact O-N 3.14Å; D179-F182 PolarHBondContact O-N 3.44Å; F182-L184 VanDerWaalsContact C-N 3.3Å; F182-L184 PolarHBondContact O-N 2.79Å; F182-A185 WeakPolarHBondContact O-CB 3.48Å; F182-A185 PolarHBondContact O-N 3.09Å; F182-A185 VanDerWaalsContact O-N 3.14Å; F182-L186 HydrophobicContact CD1-CD1 3.64Å; F182-L186 HydrophobicContact CD1-CG 3.87Å; F182-L186 HydrophobicContact CE1-CD1 3.68Å; F182-L186 HydrophobicContact CE1-CD2 4.32Å; F182-L186 HydrophobicContact CE1-CG 3.79Å; F182-L186 PolarHBondContact O-N 2.96Å; F182-A219 HydrophobicContact CB-CB 3.96Å; F182-A219 HydrophobicContact CD2-CB 4.26Å; F182-L259 HydrophobicContact CD2-CD1 3.57Å; F182-L259 HydrophobicContact CE2-CD1 3.27Å; F182-L259 HydrophobicContact CZ-CD1 4.27Å
183I96.5Very high93.9Very high87 Ų8747.8 Ų47.845%0.44624%0.241SC..Hα-helixtrans-64.7-37.4179.1-66.5166.2000110.4F141 D179 A185 L186 A187F141-I183 HydrophobicContact CE2-CD1 4.46Å; F141-I183 HydrophobicContact CE2-CG1 4.11Å; F141-I183 HydrophobicContact CZ-CD1 4.19Å; F141-I183 HydrophobicContact CZ-CG1 4.19Å; D179-I183 WeakPolarHBondContact O-CB 3.17Å; D179-I183 VanDerWaalsContact O-CG1 3.28Å; D179-I183 WeakPolarHBondContact O-CG1 3.35Å; D179-I183 PolarHBondContact O-N 3.09Å; I183-A185 VanDerWaalsContact C-N 3.32Å; I183-A185 PolarHBondContact O-N 3.11Å; I183-L186 WeakPolarHBondContact O-CB 3.46Å; I183-L186 PolarHBondContact O-N 3.36Å; I183-A187 WeakPolarHBondContact O-CB 3.37Å; I183-A187 PolarHBondContact O-N 3.31Å
184L95.4Very high93.7Very high92 Ų9246.9 Ų46.948%0.48224%0.237SC..Hα-helixtrans-58.4-44.3172.3-177.372000111.4I180 G181 F182 A187 W188I180-L184 VanDerWaalsContact O-CB 3.32Å; I180-L184 WeakPolarHBondContact O-CB 3.35Å; I180-L184 PolarHBondContact O-N 3.13Å; G181-L184 WeakPolarHBondContact O-CB 3.24Å; G181-L184 PolarHBondContact O-N 3.29Å; F182-L184 VanDerWaalsContact C-N 3.3Å; F182-L184 PolarHBondContact O-N 2.79Å; L184-A187 PolarHBondContact O-N 3.31Å; L184-W188 WeakPolarHBondContact O-CB 3.14Å; L184-W188 PolarHBondContact O-N 2.93Å
185A93.6Very high93.4Very high1 Ų146.4 Ų46.41%0.00824%0.236CC..Hα-helixtrans-65.1-44.9176.500000111.8G181 F182 I183 A187 W188 F189 P212 L216G181-A185 PolarHBondContact O-N 3.05Å; G181-A185 VanDerWaalsContact O-N 3.08Å; F182-A185 WeakPolarHBondContact O-CB 3.48Å; F182-A185 PolarHBondContact O-N 3.09Å; F182-A185 VanDerWaalsContact O-N 3.14Å; I183-A185 VanDerWaalsContact C-N 3.32Å; I183-A185 PolarHBondContact O-N 3.11Å; A185-A187 PolarHBondContact O-N 3.09Å; A185-W188 PolarHBondContact O-N 3.05Å; A185-F189 HydrophobicContact CB-CD2 4.37Å; A185-F189 HydrophobicContact CB-CE2 4Å; A185-F189 WeakPolarHBondContact O-CD2 3.34Å; A185-F189 WeakPolarHBondContact O-CG 3.02Å; A185-F189 PolarHBondContact O-N 2.95Å; A185-P212 HydrophobicContact CB-CB 4.32Å; A185-L216 HydrophobicContact CB-CD2 3.79Å; A185-L216 HydrophobicContact CB-CG 3.92Å
186L93.6Very high93.1Very high20 Ų2048.6 Ų48.611%0.10524%0.244CC..Hα-helixtrans-55.4-47.7174-81.9170.8000112.5L137 F141 F182 I183 W188 F189 I190 W196L137-L186 HydrophobicContact CB-CD2 3.54Å; L137-L186 HydrophobicContact CD1-CD2 4.28Å; L137-L186 HydrophobicContact CG-CD2 4.44Å; F141-L186 HydrophobicContact CB-CD1 4.37Å; F141-L186 HydrophobicContact CD2-CD1 4.41Å; F141-L186 HydrophobicContact CG-CD1 4.3Å; F182-L186 HydrophobicContact CD1-CD1 3.64Å; F182-L186 HydrophobicContact CD1-CG 3.87Å; F182-L186 HydrophobicContact CE1-CD1 3.68Å; F182-L186 HydrophobicContact CE1-CD2 4.32Å; F182-L186 HydrophobicContact CE1-CG 3.79Å; F182-L186 PolarHBondContact O-N 2.96Å; I183-L186 WeakPolarHBondContact O-CB 3.46Å; I183-L186 PolarHBondContact O-N 3.36Å; L186-W188 VanDerWaalsContact C-N 3.34Å; L186-F189 PolarHBondContact O-N 2.72Å; L186-I190 PolarHBondContact O-N 3.21Å; L186-W196 HydrophobicContact CD2-CG 4.5Å
187A94.1Very high92.8Very high44 Ų4445.7 Ų45.736%0.36424%0.236SC..Hα-helixtrans-65.3-38.617900000111.5I183 L184 A185 I190 L191I183-A187 WeakPolarHBondContact O-CB 3.37Å; I183-A187 PolarHBondContact O-N 3.31Å; L184-A187 PolarHBondContact O-N 3.31Å; A185-A187 PolarHBondContact O-N 3.09Å; A187-I190 VanDerWaalsContact O-CG2 3.26Å; A187-I190 WeakPolarHBondContact O-CG2 3.44Å; A187-L191 WeakPolarHBondContact O-CB 3.46Å; A187-L191 WeakPolarHBondContact O-CD1 3.25Å; A187-L191 WeakPolarHBondContact O-CG 3.42Å; A187-L191 PolarHBondContact O-N 3.3Å
188W92.5Very high92.2Very high42 Ų4244 Ų4416%0.15923%0.229CC..Hα-helixtrans-67.6-45.6177.5-167.787.1000111.8L184 A185 L186 I190 L191 H192 S209 T211 P212L184-W188 WeakPolarHBondContact O-CB 3.14Å; L184-W188 PolarHBondContact O-N 2.93Å; A185-W188 PolarHBondContact O-N 3.05Å; L186-W188 VanDerWaalsContact C-N 3.34Å; W188-I190 PolarHBondContact O-N 2.9Å; W188-L191 PolarHBondContact O-N 3.06Å; W188-H192 AromaticContact CD1-CD2 3.64Å; W188-H192 AromaticContact CD1-NE2 3.86Å; W188-H192 AromaticContact CD2-CD2 3.65Å; W188-H192 AromaticContact CE2-CD2 3.13Å; W188-H192 AromaticContact CE2-CG 3.87Å; W188-H192 AromaticContact CE2-NE2 3.67Å; W188-H192 AromaticContact CG-CD2 3.91Å; W188-H192 HydrophobicContact CH2-CB 4.01Å; W188-H192 HydrophobicContact CZ2-CB 4.03Å; W188-H192 AromaticContact CZ2-CD2 3.45Å; W188-H192 VanDerWaalsContact CZ2-CD2 3.45Å; W188-H192 WeakPolarHBondContact CZ2-CD2 3.29Å; W188-H192 AromaticContact CZ2-CG 3.7Å; W188-H192 AromaticContact CZ2-NE2 3.99Å; W188-H192 HydrophobicContact CZ3-CB 4.28Å; W188-H192 AromaticContact NE1-CD2 3.17Å; W188-H192 PolarHBondContact NE1-CD2 3.28Å; W188-H192 AromaticContact NE1-NE2 3.26Å; W188-H192 PolarHBondContact NE1-NE2 2.97Å; W188-H192 PolarHBondContact O-CD2 3.38Å; W188-H192 PolarHBondContact O-N 3.1Å; W188-H192 VanDerWaalsContact O-N 3.1Å; W188-S209 VanDerWaalsContact CH2-OG 3.25Å; W188-S209 WeakPolarHBondContact CH2-OG 3.2Å; W188-S209 VanDerWaalsContact CZ2-CB 3.49Å; W188-S209 WeakPolarHBondContact CZ2-OG 3.49Å; W188-S209 PolarHBondContact NE1-OG 3.2Å; W188-T211 PolarHBondContact NE1-OG1 3.02Å; W188-P212 HydrophobicContact CB-CB 4.36Å; W188-P212 HydrophobicContact CD2-CB 4.1Å; W188-P212 HydrophobicContact CD2-CG 3.77Å; W188-P212 HydrophobicContact CE3-CB 3.78Å; W188-P212 HydrophobicContact CE3-CG 3.47Å; W188-P212 VanDerWaalsContact CE3-CG 3.47Å; W188-P212 HydrophobicContact CG-CB 4.33Å; W188-P212 HydrophobicContact CG-CG 4.36Å; W188-P212 HydrophobicContact CH2-CG 4.48Å; W188-P212 HydrophobicContact CZ3-CG 3.84Å
189F90.8Very high91.6Very high2 Ų247 Ų471%0.00924%0.243CC..Hα-helixtrans-66.5-38179.8-66-51.5000112.8L137 A185 L186 L191 S193 N194 M201 P212 L216 L266L137-F189 HydrophobicContact CD1-CD2 3.54Å; L137-F189 HydrophobicContact CD1-CE2 4.08Å; L137-F189 HydrophobicContact CD1-CG 4.39Å; A185-F189 HydrophobicContact CB-CD2 4.37Å; A185-F189 HydrophobicContact CB-CE2 4Å; A185-F189 WeakPolarHBondContact O-CD2 3.34Å; A185-F189 WeakPolarHBondContact O-CG 3.02Å; A185-F189 PolarHBondContact O-N 2.95Å; L186-F189 PolarHBondContact O-N 2.72Å; F189-L191 VanDerWaalsContact C-N 3.35Å; F189-L191 PolarHBondContact O-N 3.25Å; F189-S193 WeakPolarHBondContact O-CA 3.4Å; F189-S193 PolarHBondContact O-N 3.03Å; F189-S193 PolarHBondContact O-OG 3.35Å; F189-N194 PolarHBondContact O-N 3.29Å; F189-M201 HydrophobicContact CB-CE 4.37Å; F189-M201 HydrophobicContact CB-SD 4.16Å; F189-M201 HydrophobicContact CD1-CE 3.41Å; F189-M201 VanDerWaalsContact CD1-CE 3.41Å; F189-M201 HydrophobicContact CD1-CG 4.27Å; F189-M201 HydrophobicContact CD1-SD 4.13Å; F189-M201 HydrophobicContact CD2-CE 3.37Å; F189-M201 HydrophobicContact CD2-SD 4.08Å; F189-M201 HydrophobicContact CE1-CE 3.34Å; F189-M201 HydrophobicContact CE2-CE 3.28Å; F189-M201 HydrophobicContact CG-CE 3.45Å; F189-M201 VanDerWaalsContact CG-CE 3.45Å; F189-M201 HydrophobicContact CG-CG 4.48Å; F189-M201 HydrophobicContact CG-SD 3.87Å; F189-M201 HydrophobicContact CZ-CE 3.26Å; F189-P212 HydrophobicContact CE1-CB 3.8Å; F189-P212 HydrophobicContact CE1-CG 4.06Å; F189-P212 HydrophobicContact CE2-CB 3.96Å; F189-P212 HydrophobicContact CZ-CB 3.46Å; F189-P212 VanDerWaalsContact CZ-CB 3.46Å; F189-P212 HydrophobicContact CZ-CG 4.1Å; F189-L216 HydrophobicContact CE2-CD1 4.44Å; F189-L216 HydrophobicContact CZ-CD1 4.5Å; F189-L266 HydrophobicContact CE1-CD1 4.24Å; F189-L266 HydrophobicContact CZ-CD1 4.02Å
190I90.7Very high91.1Very high50 Ų5050.9 Ų50.926%0.25626%0.261SS..Hα-helixtrans-65.3-39.4176.3-162.663.7000112T74 L186 A187 W188 N194 W196T74-I190 HydrophobicContact CG2-CD1 3.49Å; T74-I190 VanDerWaalsContact CG2-CD1 3.49Å; L186-I190 PolarHBondContact O-N 3.21Å; A187-I190 VanDerWaalsContact O-CG2 3.26Å; A187-I190 WeakPolarHBondContact O-CG2 3.44Å; W188-I190 PolarHBondContact O-N 2.9Å; I190-N194 WeakPolarHBondContact O-CA 3.31Å; I190-N194 PolarHBondContact O-N 3.19Å; I190-W196 HydrophobicContact CD1-CZ2 4.24Å; I190-W196 HydrophobicContact CG1-CZ2 4.42Å
191L90.7Very high90.4Very high142 Ų14245.5 Ų45.574%0.74323%0.234SC*.Hα-helixtrans-70.7-34.6-178.7-71.2170.6000113A187 W188 F189A187-L191 WeakPolarHBondContact O-CB 3.46Å; A187-L191 WeakPolarHBondContact O-CD1 3.25Å; A187-L191 WeakPolarHBondContact O-CG 3.42Å; A187-L191 PolarHBondContact O-N 3.3Å; W188-L191 PolarHBondContact O-N 3.06Å; F189-L191 VanDerWaalsContact C-N 3.35Å; F189-L191 PolarHBondContact O-N 3.25Å
192H88.5Confident89.7Confident120 Ų12047.3 Ų47.356%0.55625%0.249SC*.Hα-helixtrans-104.6-41.1-172.9-70.8-72.5000114.9W188W188-H192 AromaticContact CD1-CD2 3.64Å; W188-H192 AromaticContact CD1-NE2 3.86Å; W188-H192 AromaticContact CD2-CD2 3.65Å; W188-H192 AromaticContact CE2-CD2 3.13Å; W188-H192 AromaticContact CE2-CG 3.87Å; W188-H192 AromaticContact CE2-NE2 3.67Å; W188-H192 AromaticContact CG-CD2 3.91Å; W188-H192 HydrophobicContact CH2-CB 4.01Å; W188-H192 HydrophobicContact CZ2-CB 4.03Å; W188-H192 AromaticContact CZ2-CD2 3.45Å; W188-H192 VanDerWaalsContact CZ2-CD2 3.45Å; W188-H192 WeakPolarHBondContact CZ2-CD2 3.29Å; W188-H192 AromaticContact CZ2-CG 3.7Å; W188-H192 AromaticContact CZ2-NE2 3.99Å; W188-H192 HydrophobicContact CZ3-CB 4.28Å; W188-H192 AromaticContact NE1-CD2 3.17Å; W188-H192 PolarHBondContact NE1-CD2 3.28Å; W188-H192 AromaticContact NE1-NE2 3.26Å; W188-H192 PolarHBondContact NE1-NE2 2.97Å; W188-H192 PolarHBondContact O-CD2 3.38Å; W188-H192 PolarHBondContact O-N 3.1Å; W188-H192 VanDerWaalsContact O-N 3.1Å
193S86.2Confident89.1Confident7 Ų754.4 Ų54.45%0.04929%0.286CS..Hα-helixtrans-103.1-3.9-179.257.70000113.8F189 S195F189-S193 WeakPolarHBondContact O-CA 3.4Å; F189-S193 PolarHBondContact O-N 3.03Å; F189-S193 PolarHBondContact O-OG 3.35Å; S193-S195 WeakPolarHBondContact O-CB 3.1Å; S193-S195 PolarHBondContact O-N 3.42Å; S193-S195 PolarHBondContact O-OG 3.18Å; S193-S195 PolarHBondContact OG-O 3.3Å
194N90.1Very high88.3Confident75 Ų7555.2 Ų55.240%0.40129%0.29SS..SBendtrans47.631.3-178.5-162.626.6000113.6T73 T74 F189 I190T73-N194 WeakPolarHBondContact CB-ND2 3.29Å; T73-N194 PolarHBondContact OG1-ND2 3.4Å; T73-N194 PolarHBondContact OG1-OD1 2.7Å; T74-N194 VanDerWaalsContact CG2-O 3.27Å; T74-N194 WeakPolarHBondContact CG2-O 3.21Å; T74-N194 VanDerWaalsContact CG2-OD1 3.25Å; T74-N194 WeakPolarHBondContact CG2-OD1 3.47Å; F189-N194 PolarHBondContact O-N 3.29Å; I190-N194 WeakPolarHBondContact O-CA 3.31Å; I190-N194 PolarHBondContact O-N 3.19Å
195S88.9Confident87.1Confident8 Ų852.1 Ų52.16%0.05627%0.274CS..  trans-156.7149.5-172.752.40000110S193 Q200S193-S195 WeakPolarHBondContact O-CB 3.1Å; S193-S195 PolarHBondContact O-N 3.42Å; S193-S195 PolarHBondContact O-OG 3.18Å; S193-S195 PolarHBondContact OG-O 3.3Å; S195-Q200 VanDerWaalsContact OG-CD 3.3Å; S195-Q200 PolarHBondContact OG-OE1 3.28Å
196W89.5Confident85.6Confident48 Ų4855.2 Ų55.218%0.18230%0.3CS..  trans-110.28.9176.1-72.5-19.6000112.7L76 L137 F138 L186 I190L76-W196 HydrophobicContact CD1-CZ3 3.85Å; L76-W196 HydrophobicContact CD2-CD2 4.38Å; L76-W196 HydrophobicContact CD2-CE3 3.25Å; L76-W196 HydrophobicContact CD2-CH2 4.34Å; L76-W196 HydrophobicContact CD2-CZ3 3.24Å; L76-W196 HydrophobicContact CG-CZ3 4.19Å; L137-W196 HydrophobicContact CB-CB 4.14Å; L137-W196 PolarHBondContact N-O 2.75Å; F138-W196 HydrophobicContact CB-CD2 4.43Å; F138-W196 HydrophobicContact CB-CE3 3.54Å; F138-W196 HydrophobicContact CB-CZ3 3.66Å; F138-W196 HydrophobicContact CD2-CH2 4.47Å; F138-W196 HydrophobicContact CD2-CZ3 4.06Å; F138-W196 HydrophobicContact CG-CE3 4.33Å; F138-W196 AromaticContact CG-CZ3 3.95Å; F138-W196 HydrophobicContact CG-CZ3 3.95Å; L186-W196 HydrophobicContact CD2-CG 4.5Å; I190-W196 HydrophobicContact CD1-CZ2 4.24Å; I190-W196 HydrophobicContact CG1-CZ2 4.42Å
197D89.8Confident84.5Confident44 Ų4461.4 Ų61.424%0.23533%0.333CS..  trans-93.4119.5-176.9-68.710.6000108.6N136 Q199 Q200 M201N136-D197 VanDerWaalsContact CG-OD1 3.29Å; N136-D197 PolarHBondContact OD1-OD1 2.89Å; D197-Q199 PolarHBondContact O-N 3.01Å; D197-Q199 VanDerWaalsContact O-N 3.1Å; D197-Q200 HydrophobicContact CB-CB 4.4Å; D197-Q200 PolarHBondContact O-N 3.38Å; D197-Q200 VanDerWaalsContact O-N 3.13Å; D197-M201 VanDerWaalsContact O-CG 3.29Å; D197-M201 WeakPolarHBondContact O-CG 3.1Å; D197-M201 PolarHBondContact O-N 3.03Å
198P84.2Confident83.4Confident22 Ų2260.3 Ų60.314%0.14332%0.322CS..Hα-helixtrans-60.7-27.6-174.124-33.9000112.3N135 A202 F263N135-P198 WeakPolarHBondContact O-CD 3.47Å; N135-P198 WeakPolarHBondContact O-CG 3.43Å; P198-A202 VanDerWaalsContact O-CB 3.31Å; P198-A202 WeakPolarHBondContact O-CB 3.43Å; P198-A202 PolarHBondContact O-N 3.47Å; P198-F263 HydrophobicContact CB-CE1 3.8Å; P198-F263 HydrophobicContact CB-CZ 4.32Å
199Q83.6Confident82.9Confident64 Ų6460 Ų6030%0.29933%0.327SS..Hα-helixtrans-66.3-49.5177.2-69152.9-1600111.8D197 M201 A202 L203D197-Q199 PolarHBondContact O-N 3.01Å; D197-Q199 VanDerWaalsContact O-N 3.1Å; Q199-M201 VanDerWaalsContact C-N 3.3Å; Q199-M201 PolarHBondContact O-N 2.8Å; Q199-A202 PolarHBondContact O-N 3.32Å; Q199-L203 WeakPolarHBondContact O-CG 3.4Å; Q199-L203 PolarHBondContact O-N 3.42Å; Q199-L203 VanDerWaalsContact O-N 3.1Å
200Q84.9Confident82.9Confident86 Ų8663 Ų6340%0.40234%0.343SS..Hα-helixtrans-65.3-39.4177.7-175174.6-2.500110.6S195 D197 L203 L204S195-Q200 VanDerWaalsContact OG-CD 3.3Å; S195-Q200 PolarHBondContact OG-OE1 3.28Å; D197-Q200 HydrophobicContact CB-CB 4.4Å; D197-Q200 PolarHBondContact O-N 3.38Å; D197-Q200 VanDerWaalsContact O-N 3.13Å; Q200-L203 PolarHBondContact O-N 3.03Å; Q200-L204 HydrophobicContact CG-CD1 3.74Å; Q200-L204 HydrophobicContact CG-CG 4.39Å; Q200-L204 WeakPolarHBondContact O-CB 3.45Å; Q200-L204 VanDerWaalsContact O-CG 3.32Å; Q200-L204 WeakPolarHBondContact O-CG 3.43Å; Q200-L204 PolarHBondContact O-N 3.48Å
201M84Confident83Confident0 Ų063.8 Ų63.80%035%0.349CS..Hα-helixtrans-62.3-43.3176.3-66.916440.800112.6L137 F189 D197 Q199 N205 F263 L266L137-M201 HydrophobicContact CD1-CE 3.96Å; L137-M201 HydrophobicContact CD1-SD 3.75Å; F189-M201 HydrophobicContact CB-CE 4.37Å; F189-M201 HydrophobicContact CB-SD 4.16Å; F189-M201 HydrophobicContact CD1-CE 3.41Å; F189-M201 VanDerWaalsContact CD1-CE 3.41Å; F189-M201 HydrophobicContact CD1-CG 4.27Å; F189-M201 HydrophobicContact CD1-SD 4.13Å; F189-M201 HydrophobicContact CD2-CE 3.37Å; F189-M201 HydrophobicContact CD2-SD 4.08Å; F189-M201 HydrophobicContact CE1-CE 3.34Å; F189-M201 HydrophobicContact CE2-CE 3.28Å; F189-M201 HydrophobicContact CG-CE 3.45Å; F189-M201 VanDerWaalsContact CG-CE 3.45Å; F189-M201 HydrophobicContact CG-CG 4.48Å; F189-M201 HydrophobicContact CG-SD 3.87Å; F189-M201 HydrophobicContact CZ-CE 3.26Å; D197-M201 VanDerWaalsContact O-CG 3.29Å; D197-M201 WeakPolarHBondContact O-CG 3.1Å; D197-M201 PolarHBondContact O-N 3.03Å; Q199-M201 VanDerWaalsContact C-N 3.3Å; Q199-M201 PolarHBondContact O-N 2.8Å; M201-N205 WeakPolarHBondContact O-CB 3.34Å; M201-N205 PolarHBondContact O-N 3.49Å; M201-N205 VanDerWaalsContact O-N 3.08Å; M201-F263 HydrophobicContact CE-CD1 4.24Å; M201-F263 HydrophobicContact CE-CE1 3.61Å; M201-L266 HydrophobicContact CE-CD1 4Å
202A81.4Confident83.1Confident39 Ų3957 Ų5732%0.32231%0.314SS..Hα-helixtrans-66.7-36178.200000112.4P198 Q199 P265 L266P198-A202 VanDerWaalsContact O-CB 3.31Å; P198-A202 WeakPolarHBondContact O-CB 3.43Å; P198-A202 PolarHBondContact O-N 3.47Å; Q199-A202 PolarHBondContact O-N 3.32Å; A202-P265 HydrophobicContact CB-CB 4.32Å; A202-L266 HydrophobicContact CB-CD2 4.5Å
203L83.1Confident83.3Confident150 Ų15051.7 Ų51.779%0.78529%0.29SS*.Hα-helixtrans-70.9-40.6177.6-71.7167.8000112.8Q199 Q200Q199-L203 WeakPolarHBondContact O-CG 3.4Å; Q199-L203 PolarHBondContact O-N 3.42Å; Q199-L203 VanDerWaalsContact O-N 3.1Å; Q200-L203 PolarHBondContact O-N 3.03Å
204L79.7Confident83.7Confident103 Ų10354.4 Ų54.454%0.53930%0.304SS..Hα-helixtrans-79.4-32.9-176.2-69172.2000113Q200 A206Q200-L204 HydrophobicContact CG-CD1 3.74Å; Q200-L204 HydrophobicContact CG-CG 4.39Å; Q200-L204 WeakPolarHBondContact O-CB 3.45Å; Q200-L204 VanDerWaalsContact O-CG 3.32Å; Q200-L204 WeakPolarHBondContact O-CG 3.43Å; Q200-L204 PolarHBondContact O-N 3.48Å; L204-A206 PolarHBondContact O-N 3.47Å
205N69Low84Confident27 Ų2751 Ų5114%0.14429%0.285CS..  trans-101.672-173.5-69.2-30.2000112.1M201 N207 L266M201-N205 WeakPolarHBondContact O-CB 3.34Å; M201-N205 PolarHBondContact O-N 3.49Å; M201-N205 VanDerWaalsContact O-N 3.08Å; N205-N207 PolarHBondContact O-N 3.21Å; N205-L266 HydrophobicContact CB-CD2 4.22Å
206A63.1Low84.3Confident67 Ų6750.6 Ų50.655%0.55428%0.283SS*.SBendtrans-57.8-35.6171.300000112L204 N269L204-A206 PolarHBondContact O-N 3.47Å; A206-N269 PolarHBondContact O-ND2 3.04Å
207N70Confident84.6Confident150 Ų15049.3 Ų49.380%0.80228%0.28SS*.SBendtrans-117.787.8172-69.8-19.5000109.8N205 S209N205-N207 PolarHBondContact O-N 3.21Å; N207-S209 PolarHBondContact O-N 2.87Å
208P71Confident85Confident20 Ų2050.4 Ų50.413%0.1329%0.285CS..  trans-66.1137.8-178.824.3-28.4000110.2L213 L266 N269P208-L213 HydrophobicContact CB-CD1 4.06Å; P208-L213 HydrophobicContact CG-CD1 4.07Å; P208-L266 HydrophobicContact CB-CD2 4.42Å; P208-L266 WeakPolarHBondContact CG-O 3.33Å; P208-N269 HydrophobicContact CG-CB 4.35Å
209S81.8Confident85.6Confident36 Ų3649.4 Ų49.425%0.25228%0.278SS..  trans-66.1152.8171.769.90000110.2W188 N207 T211 P212W188-S209 VanDerWaalsContact CH2-OG 3.25Å; W188-S209 WeakPolarHBondContact CH2-OG 3.2Å; W188-S209 VanDerWaalsContact CZ2-CB 3.49Å; W188-S209 WeakPolarHBondContact CZ2-OG 3.49Å; W188-S209 PolarHBondContact NE1-OG 3.2Å; N207-S209 PolarHBondContact O-N 2.87Å; S209-T211 VanDerWaalsContact C-N 3.27Å; S209-T211 PolarHBondContact O-N 3.32Å; S209-T211 PolarHBondContact OG-OG1 3.4Å; S209-P212 VanDerWaalsContact O-CD 3.3Å; S209-P212 WeakPolarHBondContact O-CD 3.43Å; S209-P212 WeakPolarHBondContact O-CG 3.29Å; S209-P212 WeakPolarHBondContact OG-CD 3.5Å
210L90.6Very high86.2Confident66 Ų6646.3 Ų46.335%0.34626%0.264SS..Hα-helixtrans-66.1-30-179.2178.160.7000112.7L213 L214 L272 I273L210-L213 PolarHBondContact O-N 3.41Å; L210-L214 HydrophobicContact CD1-CD1 4.05Å; L210-L214 HydrophobicContact CD1-CD2 4.27Å; L210-L214 HydrophobicContact CD1-CG 3.8Å; L210-L214 HydrophobicContact CD2-CD1 3.98Å; L210-L214 HydrophobicContact CG-CD1 3.61Å; L210-L214 HydrophobicContact CG-CG 3.87Å; L210-L214 WeakPolarHBondContact O-CG 3.33Å; L210-L214 PolarHBondContact O-N 3.35Å; L210-L272 HydrophobicContact CD1-CD2 3.75Å; L210-L272 HydrophobicContact CD2-CD2 3.63Å; L210-L272 HydrophobicContact CG-CD2 4.36Å; L210-I273 HydrophobicContact CD1-CD1 3.12Å; L210-I273 HydrophobicContact CD1-CG1 3.97Å
211T92.1Very high86.7Confident65 Ų6542.5 Ų42.540%0.39925%0.247SC..Hα-helixtrans-62.9-51.7-170.745.50000115.1W188 S209 L213 L214 G215W188-T211 PolarHBondContact NE1-OG1 3.02Å; S209-T211 VanDerWaalsContact C-N 3.27Å; S209-T211 PolarHBondContact O-N 3.32Å; S209-T211 PolarHBondContact OG-OG1 3.4Å; T211-L213 VanDerWaalsContact C-N 3.3Å; T211-L213 PolarHBondContact O-N 2.98Å; T211-L214 PolarHBondContact O-N 2.9Å; T211-G215 PolarHBondContact O-N 2.91Å
212P92.6Very high87.3Confident1 Ų142.5 Ų42.51%0.00625%0.247CC..Hα-helixtrans-63.8-37.2176.628.6-37.9000111.3A185 W188 F189 S209 G215 L216A185-P212 HydrophobicContact CB-CB 4.32Å; W188-P212 HydrophobicContact CB-CB 4.36Å; W188-P212 HydrophobicContact CD2-CB 4.1Å; W188-P212 HydrophobicContact CD2-CG 3.77Å; W188-P212 HydrophobicContact CE3-CB 3.78Å; W188-P212 HydrophobicContact CE3-CG 3.47Å; W188-P212 VanDerWaalsContact CE3-CG 3.47Å; W188-P212 HydrophobicContact CG-CB 4.33Å; W188-P212 HydrophobicContact CG-CG 4.36Å; W188-P212 HydrophobicContact CH2-CG 4.48Å; W188-P212 HydrophobicContact CZ3-CG 3.84Å; F189-P212 HydrophobicContact CE1-CB 3.8Å; F189-P212 HydrophobicContact CE1-CG 4.06Å; F189-P212 HydrophobicContact CE2-CB 3.96Å; F189-P212 HydrophobicContact CZ-CB 3.46Å; F189-P212 VanDerWaalsContact CZ-CB 3.46Å; F189-P212 HydrophobicContact CZ-CG 4.1Å; S209-P212 VanDerWaalsContact O-CD 3.3Å; S209-P212 WeakPolarHBondContact O-CD 3.43Å; S209-P212 WeakPolarHBondContact O-CG 3.29Å; S209-P212 WeakPolarHBondContact OG-CD 3.5Å; P212-G215 WeakPolarHBondContact O-CA 3.45Å; P212-G215 PolarHBondContact O-N 3.16Å; P212-L216 VanDerWaalsContact O-CG 3.28Å; P212-L216 WeakPolarHBondContact O-CG 3.27Å; P212-L216 PolarHBondContact O-N 3.1Å
213L93.1Very high87.9Confident7 Ų740.8 Ų40.84%0.03723%0.233CC..Hα-helixtrans-69-37.8-179.5-64.6171.4000112.1P208 L210 T211 G215 L216 L217 L266 S270 I273P208-L213 HydrophobicContact CB-CD1 4.06Å; P208-L213 HydrophobicContact CG-CD1 4.07Å; L210-L213 PolarHBondContact O-N 3.41Å; T211-L213 VanDerWaalsContact C-N 3.3Å; T211-L213 PolarHBondContact O-N 2.98Å; L213-G215 VanDerWaalsContact C-N 3.34Å; L213-L216 HydrophobicContact CD2-CD1 4.43Å; L213-L216 PolarHBondContact O-N 3.11Å; L213-L217 WeakPolarHBondContact O-CB 3.04Å; L213-L217 PolarHBondContact O-N 2.93Å; L213-L266 HydrophobicContact CD2-CB 3.96Å; L213-S270 VanDerWaalsContact CD1-OG 3.31Å; L213-S270 WeakPolarHBondContact CD1-OG 3.32Å; L213-I273 HydrophobicContact CB-CD1 4.38Å; L213-I273 HydrophobicContact CB-CG1 3.57Å; L213-I273 HydrophobicContact CB-CG2 4.4Å; L213-I273 HydrophobicContact CD1-CD1 4.13Å; L213-I273 HydrophobicContact CD1-CG1 3.83Å; L213-I273 HydrophobicContact CG-CG1 4.31Å
214L95.2Very high88.4Confident65 Ų6533.7 Ų33.734%0.3420%0.195SC..Hα-helixtrans-64.1-38.7169.3-74.7177.4000111.9L210 T211 L217 L218 L276L210-L214 HydrophobicContact CD1-CD1 4.05Å; L210-L214 HydrophobicContact CD1-CD2 4.27Å; L210-L214 HydrophobicContact CD1-CG 3.8Å; L210-L214 HydrophobicContact CD2-CD1 3.98Å; L210-L214 HydrophobicContact CG-CD1 3.61Å; L210-L214 HydrophobicContact CG-CG 3.87Å; L210-L214 WeakPolarHBondContact O-CG 3.33Å; L210-L214 PolarHBondContact O-N 3.35Å; T211-L214 PolarHBondContact O-N 2.9Å; L214-L217 HydrophobicContact CD2-CD2 4.45Å; L214-L217 WeakPolarHBondContact O-CB 3.36Å; L214-L217 PolarHBondContact O-N 3.06Å; L214-L218 WeakPolarHBondContact O-CB 3.41Å; L214-L218 PolarHBondContact O-N 3.09Å; L214-L276 HydrophobicContact CD2-CD1 3.78Å
215G95.8Very high89.1Confident2 Ų228.8 Ų28.82%0.02117%0.169CC..Hα-helixtrans-60.4-46.9173.200000112.4G181 T211 P212 L213 L218 A219G181-G215 CarbonylContact C-O 3.54Å; G181-G215 VanDerWaalsContact CA-O 3.26Å; G181-G215 WeakPolarHBondContact CA-O 3.49Å; G181-G215 CarbonylContact O-C 3.28Å; G181-G215 VanDerWaalsContact O-C 3.28Å; G181-G215 VanDerWaalsContact O-CA 3.23Å; G181-G215 WeakPolarHBondContact O-CA 3.45Å; T211-G215 PolarHBondContact O-N 2.91Å; P212-G215 WeakPolarHBondContact O-CA 3.45Å; P212-G215 PolarHBondContact O-N 3.16Å; L213-G215 VanDerWaalsContact C-N 3.34Å; G215-L218 PolarHBondContact O-N 3.12Å; G215-A219 WeakPolarHBondContact O-CB 3.28Å; G215-A219 PolarHBondContact O-N 2.82Å
216L95.4Very high90.4Very high1 Ų127.5 Ų27.51%0.00516%0.163CC..Hα-helixtrans-65.5-37.4176-65.1171.3000111.9A185 F189 P212 L213 A219 A220 L259 L260 F263A185-L216 HydrophobicContact CB-CD2 3.79Å; A185-L216 HydrophobicContact CB-CG 3.92Å; F189-L216 HydrophobicContact CE2-CD1 4.44Å; F189-L216 HydrophobicContact CZ-CD1 4.5Å; P212-L216 VanDerWaalsContact O-CG 3.28Å; P212-L216 WeakPolarHBondContact O-CG 3.27Å; P212-L216 PolarHBondContact O-N 3.1Å; L213-L216 HydrophobicContact CD2-CD1 4.43Å; L213-L216 PolarHBondContact O-N 3.11Å; L216-A219 PolarHBondContact O-N 2.92Å; L216-A220 VanDerWaalsContact O-CB 3.31Å; L216-A220 WeakPolarHBondContact O-CB 3.44Å; L216-A220 PolarHBondContact O-N 3.47Å; L216-L259 HydrophobicContact CB-CD2 3.8Å; L216-L259 HydrophobicContact CD2-CD1 4.23Å; L216-L259 HydrophobicContact CD2-CD2 3.67Å; L216-L259 HydrophobicContact CD2-CG 4.31Å; L216-L259 HydrophobicContact CG-CD2 4.2Å; L216-L260 HydrophobicContact CB-CD2 4.2Å; L216-F263 HydrophobicContact CD1-CB 4Å; L216-F263 HydrophobicContact CD1-CD1 4.33Å; L216-F263 HydrophobicContact CD1-CD2 3.86Å; L216-F263 HydrophobicContact CD1-CG 3.77Å; L216-F263 HydrophobicContact CD2-CD2 4.16Å; L216-F263 HydrophobicContact CD2-CE2 4.29Å
217L96.5Very high91.9Very high21 Ų2127.4 Ų27.411%0.1115%0.152CC..Hα-helixtrans-60.3-45.6172.1-174.991.1000111.1L213 L214 A220 A221 L276 T277 M314L213-L217 WeakPolarHBondContact O-CB 3.04Å; L213-L217 PolarHBondContact O-N 2.93Å; L214-L217 HydrophobicContact CD2-CD2 4.45Å; L214-L217 WeakPolarHBondContact O-CB 3.36Å; L214-L217 PolarHBondContact O-N 3.06Å; L217-A220 PolarHBondContact O-N 3.38Å; L217-A221 VanDerWaalsContact O-CB 3.31Å; L217-A221 WeakPolarHBondContact O-CB 3.11Å; L217-A221 PolarHBondContact O-N 3.48Å; L217-L276 HydrophobicContact CD2-CB 4.46Å; L217-T277 HydrophobicContact CD1-CG2 3.28Å; L217-M314 HydrophobicContact CD1-CE 3.45Å; L217-M314 VanDerWaalsContact CD1-CE 3.45Å
218L97.2Very high93.1Very high67 Ų6721.3 Ų21.335%0.35113%0.125SC..Hα-helixtrans-65-42.3178.2-176.367000111.3L214 G215 A221 G222 L229L214-L218 WeakPolarHBondContact O-CB 3.41Å; L214-L218 PolarHBondContact O-N 3.09Å; G215-L218 PolarHBondContact O-N 3.12Å; L218-A221 PolarHBondContact O-N 3.49Å; L218-G222 PolarHBondContact O-N 3.43Å; L218-L229 HydrophobicContact CD1-CD1 4.43Å
219A96.9Very high94.2Very high0 Ų021.4 Ų21.40%012%0.124CC..Hα-helixtrans-59.1-47.8174.400000111.3W144 G178 F182 G215 L216 A221 G222 K223W144-A219 HydrophobicContact CH2-CB 4.06Å; W144-A219 WeakPolarHBondContact CH2-O 3.4Å; W144-A219 HydrophobicContact CZ2-CB 3.86Å; W144-A219 WeakPolarHBondContact CZ2-O 3.34Å; G178-A219 VanDerWaalsContact O-CA 3.31Å; G178-A219 WeakPolarHBondContact O-CA 3.32Å; G178-A219 WeakPolarHBondContact O-CB 3.49Å; F182-A219 HydrophobicContact CB-CB 3.96Å; F182-A219 HydrophobicContact CD2-CB 4.26Å; G215-A219 WeakPolarHBondContact O-CB 3.28Å; G215-A219 PolarHBondContact O-N 2.82Å; L216-A219 PolarHBondContact O-N 2.92Å; A219-A221 PolarHBondContact O-N 2.95Å; A219-G222 PolarHBondContact O-N 2.78Å; A219-K223 PolarHBondContact O-N 2.54Å
220A96.2Very high94.9Very high0 Ų020 Ų200%011%0.114CC..Hα-helixtrans-61.6-42.9175.500000111.7L216 L217 G222 S224 G256 L260L216-A220 VanDerWaalsContact O-CB 3.31Å; L216-A220 WeakPolarHBondContact O-CB 3.44Å; L216-A220 PolarHBondContact O-N 3.47Å; L217-A220 PolarHBondContact O-N 3.38Å; A220-G222 VanDerWaalsContact C-N 3.32Å; A220-G222 PolarHBondContact O-N 3.02Å; A220-S224 VanDerWaalsContact O-CB 3.28Å; A220-S224 WeakPolarHBondContact O-CB 3.46Å; A220-S224 PolarHBondContact O-N 2.9Å; A220-S224 PolarHBondContact O-OG 3.06Å; A220-G256 VanDerWaalsContact CB-O 3.29Å; A220-G256 WeakPolarHBondContact CB-O 3.4Å; A220-L260 HydrophobicContact CB-CD1 3.48Å; A220-L260 VanDerWaalsContact CB-CD1 3.48Å; A220-L260 HydrophobicContact CB-CD2 4.32Å; A220-L260 HydrophobicContact CB-CG 3.7Å
221A96.6Very high95.1Very high6 Ų617.1 Ų17.15%0.0510%0.099CC..Hα-helixtrans-60.8-39.7179.100000112.5L217 L218 A219 A225 Q226 L229L217-A221 VanDerWaalsContact O-CB 3.31Å; L217-A221 WeakPolarHBondContact O-CB 3.11Å; L217-A221 PolarHBondContact O-N 3.48Å; L218-A221 PolarHBondContact O-N 3.49Å; A219-A221 PolarHBondContact O-N 2.95Å; A221-A225 PolarHBondContact O-N 3.11Å; A221-Q226 HydrophobicContact CB-CB 4.05Å; A221-Q226 HydrophobicContact CB-CG 4.37Å; A221-Q226 PolarHBondContact O-N 3.33Å; A221-L229 HydrophobicContact CB-CD1 4.45Å
222G95.1Very high95.2Very high0 Ų014 Ų140%08%0.08CC..Hα-helixtrans-64.7-60.7176.500000112.7L218 A219 A220 S224 A225 W232L218-G222 PolarHBondContact O-N 3.43Å; A219-G222 PolarHBondContact O-N 2.78Å; A220-G222 VanDerWaalsContact C-N 3.32Å; A220-G222 PolarHBondContact O-N 3.02Å; G222-S224 PolarHBondContact O-N 3.35Å; G222-A225 PolarHBondContact O-N 3.45Å; G222-W232 PolarHBondContact O-NE1 2.91Å; G222-W232 VanDerWaalsContact O-NE1 3.1Å
223K94.5Very high95.2Very high3 Ų314 Ų141%0.0138%0.08CC..Hα-helixtrans-70-30.1-176.7-73-72.9175.61670113.8W144 N175 A219 A225 W232 V253W144-K223 HydrophobicContact CD2-CG 4.06Å; W144-K223 VanDerWaalsContact CE2-CE 3.45Å; W144-K223 VanDerWaalsContact CE2-CG 3.46Å; W144-K223 HydrophobicContact CE3-CG 4.25Å; W144-K223 HydrophobicContact CH2-CB 3.72Å; W144-K223 HydrophobicContact CH2-CG 3.33Å; W144-K223 HydrophobicContact CZ2-CB 3.94Å; W144-K223 HydrophobicContact CZ2-CD 4.19Å; W144-K223 HydrophobicContact CZ2-CG 3.08Å; W144-K223 HydrophobicContact CZ3-CB 4.29Å; W144-K223 HydrophobicContact CZ3-CG 3.91Å; W144-K223 PolarHBondContact O-NZ 2.92Å; N175-K223 HydrophobicContact CB-CD 4.39Å; N175-K223 WeakPolarHBondContact OD1-CD 3.22Å; A219-K223 PolarHBondContact O-N 2.54Å; K223-A225 VanDerWaalsContact C-N 3.33Å; K223-W232 WeakPolarHBondContact O-CZ2 3.48Å; K223-V253 WeakPolarHBondContact O-CA 3.32Å
224S94.6Very high95.2Very high0 Ų014 Ų140%08%0.081CC..THydrogen-bonded Turntrans-91.910.2179.770.70000114.5A220 G222 Q226 V253A220-S224 VanDerWaalsContact O-CB 3.28Å; A220-S224 WeakPolarHBondContact O-CB 3.46Å; A220-S224 PolarHBondContact O-N 2.9Å; A220-S224 PolarHBondContact O-OG 3.06Å; G222-S224 PolarHBondContact O-N 3.35Å; S224-Q226 VanDerWaalsContact C-N 3.34Å; S224-Q226 PolarHBondContact O-N 3.46Å; S224-Q226 VanDerWaalsContact OG-CG 3.26Å; S224-Q226 WeakPolarHBondContact OG-CG 2.9Å; S224-Q226 PolarHBondContact OG-NE2 3.14Å; S224-V253 WeakPolarHBondContact CA-O 3.33Å; S224-V253 VanDerWaalsContact CB-O 3.24Å; S224-V253 WeakPolarHBondContact CB-O 3.39Å
225A93.6Very high95.1Very high0 Ų012.1 Ų12.10%07%0.072CC..THydrogen-bonded Turntrans53.448176.600000113A221 G222 K223 H230 W232 L233 V253A221-A225 PolarHBondContact O-N 3.11Å; G222-A225 PolarHBondContact O-N 3.45Å; K223-A225 VanDerWaalsContact C-N 3.33Å; A225-H230 WeakPolarHBondContact O-CB 2.91Å; A225-W232 HydrophobicContact CB-CZ2 4.01Å; A225-L233 HydrophobicContact CB-CB 3.7Å; A225-L233 HydrophobicContact CB-CD1 3.55Å; A225-L233 HydrophobicContact CB-CG 4.27Å; A225-V253 HydrophobicContact CB-CG1 4.39Å
226Q96.8Very high95Very high0 Ų012.1 Ų12.10%07%0.072CC..  trans-79.3175.6176.1-55.7-70.2-16.600111A221 S224 L229 H230 L280 T284 L310A221-Q226 HydrophobicContact CB-CB 4.05Å; A221-Q226 HydrophobicContact CB-CG 4.37Å; A221-Q226 PolarHBondContact O-N 3.33Å; S224-Q226 VanDerWaalsContact C-N 3.34Å; S224-Q226 PolarHBondContact O-N 3.46Å; S224-Q226 VanDerWaalsContact OG-CG 3.26Å; S224-Q226 WeakPolarHBondContact OG-CG 2.9Å; S224-Q226 PolarHBondContact OG-NE2 3.14Å; Q226-L229 CarbonylContact O-C 3.58Å; Q226-L229 WeakPolarHBondContact O-CA 3.44Å; Q226-L229 PolarHBondContact O-N 2.86Å; Q226-H230 WeakPolarHBondContact O-CA 3.33Å; Q226-H230 WeakPolarHBondContact O-CB 3.43Å; Q226-H230 PolarHBondContact O-N 3.14Å; Q226-L280 HydrophobicContact CB-CD2 3.5Å; Q226-L280 VanDerWaalsContact CB-CD2 3.5Å; Q226-L280 HydrophobicContact CB-CG 4.28Å; Q226-L280 HydrophobicContact CG-CD2 3.57Å; Q226-T284 HydrophobicContact CB-CG2 3.89Å; Q226-T284 VanDerWaalsContact OE1-CG2 3.24Å; Q226-T284 PolarHBondContact OE1-OG1 2.97Å; Q226-L310 PolarHBondContact NE2-O 2.91Å
227L94.8Very high94.9Very high65 Ų6512.2 Ų12.234%0.347%0.073SC..THydrogen-bonded Turntrans-62.1144.7-170.3-159.184.5000109.3L229 I283 T284 F287L227-L229 PolarHBondContact O-N 3.02Å; L227-I283 HydrophobicContact CD1-CG2 4.09Å; L227-I283 HydrophobicContact CD2-CB 4.32Å; L227-I283 HydrophobicContact CD2-CG2 3.42Å; L227-I283 VanDerWaalsContact CD2-CG2 3.42Å; L227-I283 HydrophobicContact CG-CG2 4.25Å; L227-T284 HydrophobicContact CB-CG2 3.53Å; L227-F287 HydrophobicContact CD1-CB 3.76Å; L227-F287 HydrophobicContact CD1-CD1 3.86Å; L227-F287 HydrophobicContact CD1-CD2 4.31Å; L227-F287 HydrophobicContact CD1-CG 3.69Å
228G94Very high94.7Very high22 Ų2214.2 Ų14.223%0.2278%0.082CC..THydrogen-bonded Turntrans83.9-45.4-16700000113Y529G228-Y529 PolarHBondContact O-OH 2.67Å
229L95.6Very high94.4Very high22 Ų2211 Ų1112%0.1157%0.065CC..SBendtrans-110.219-178.9-51.1176.8000113.3Y174 I177 L218 A221 Q226 L227 P231 W232Y174-L229 HydrophobicContact CD1-CB 3.79Å; Y174-L229 HydrophobicContact CD1-CD2 3.52Å; Y174-L229 HydrophobicContact CD1-CG 4.22Å; Y174-L229 HydrophobicContact CE1-CB 4.37Å; Y174-L229 HydrophobicContact CE1-CD2 3.84Å; I177-L229 HydrophobicContact CB-CD2 4.41Å; I177-L229 HydrophobicContact CD1-CD2 4.06Å; I177-L229 HydrophobicContact CG2-CD1 4.02Å; I177-L229 HydrophobicContact CG2-CD2 3.99Å; L218-L229 HydrophobicContact CD1-CD1 4.43Å; A221-L229 HydrophobicContact CB-CD1 4.45Å; Q226-L229 CarbonylContact O-C 3.58Å; Q226-L229 WeakPolarHBondContact O-CA 3.44Å; Q226-L229 PolarHBondContact O-N 2.86Å; L227-L229 PolarHBondContact O-N 3.02Å; L229-P231 VanDerWaalsContact C-CD 3.5Å; L229-W232 PolarHBondContact O-NE1 3.31Å
230H94.9Very high94.3Very high7 Ų711.1 Ų11.13%0.0327%0.066CC..  trans-78-28.3-177.267.5-80.9000117A225 Q226 W232 L233 P234 F287 Y529A225-H230 WeakPolarHBondContact O-CB 2.91Å; Q226-H230 WeakPolarHBondContact O-CA 3.33Å; Q226-H230 WeakPolarHBondContact O-CB 3.43Å; Q226-H230 PolarHBondContact O-N 3.14Å; H230-W232 PolarHBondContact O-N 3.45Å; H230-L233 PolarHBondContact O-N 3.35Å; H230-P234 VanDerWaalsContact O-CD 3.28Å; H230-P234 WeakPolarHBondContact O-CD 3.44Å; H230-F287 AromaticContact CD2-CE1 3.59Å; H230-F287 AromaticContact CE1-CE1 3.76Å; H230-F287 AromaticContact NE2-CE1 3.22Å; H230-F287 WeakPolarHBondContact NE2-CE1 3.24Å; H230-F287 AromaticContact NE2-CZ 3.76Å; H230-Y529 AromaticContact CE1-CD1 3.66Å; H230-Y529 AromaticContact CE1-CG 3.78Å
231P94.9Very high94.2Very high6 Ų611.1 Ų11.14%0.0397%0.066CC..THydrogen-bonded Turntrans-65.3-17.2-166.4-26.936.7000116.1Q170 Y174 L229 L233 P234 S235 Y529 P530Q170-P231 PolarHBondContact NE2-O 3.08Å; Y174-P231 HydrophobicContact CE2-CB 4.49Å; L229-P231 VanDerWaalsContact C-CD 3.5Å; P231-L233 VanDerWaalsContact C-N 3.3Å; P231-P234 WeakPolarHBondContact O-CD 3.38Å; P231-S235 PolarHBondContact O-OG 2.94Å; P231-Y529 HydrophobicContact CG-CD1 3.41Å; P231-Y529 VanDerWaalsContact CG-CD1 3.41Å; P231-Y529 HydrophobicContact CG-CE1 3.5Å; P231-Y529 VanDerWaalsContact CG-CE1 3.5Å; P231-P530 HydrophobicContact CB-CG 4.27Å; P231-P530 HydrophobicContact CG-CG 4.47Å
232W94.7Very high94.2Very high0 Ų010.8 Ų10.80%06%0.063CC..Hα-helixtrans-71.5-27.2-179.271.6-96.5000112.8Q170 A171 Y174 G222 K223 A225 L229 H230 S235 A236 M252 V253Q170-W232 HydrophobicContact CG-CB 4.35Å; A171-W232 HydrophobicContact CB-CB 4.31Å; A171-W232 HydrophobicContact CB-CE3 3.95Å; Y174-W232 HydrophobicContact CD2-CB 3.71Å; Y174-W232 HydrophobicContact CD2-CG 4.32Å; Y174-W232 HydrophobicContact CE2-CB 4.43Å; Y174-W232 HydrophobicContact CG-CB 4.26Å; Y174-W232 AromaticContact CG-CD1 3.84Å; Y174-W232 HydrophobicContact CG-CG 4.4Å; G222-W232 PolarHBondContact O-NE1 2.91Å; G222-W232 VanDerWaalsContact O-NE1 3.1Å; K223-W232 WeakPolarHBondContact O-CZ2 3.48Å; A225-W232 HydrophobicContact CB-CZ2 4.01Å; L229-W232 PolarHBondContact O-NE1 3.31Å; H230-W232 PolarHBondContact O-N 3.45Å; W232-S235 WeakPolarHBondContact CA-OG 3.42Å; W232-S235 PolarHBondContact O-N 3Å; W232-S235 PolarHBondContact O-OG 3.07Å; W232-S235 VanDerWaalsContact O-OG 3.11Å; W232-A236 HydrophobicContact CE3-CB 4.46Å; W232-A236 WeakPolarHBondContact O-CB 3.37Å; W232-A236 PolarHBondContact O-N 2.77Å; W232-M252 HydrophobicContact CE3-CE 4.46Å; W232-M252 HydrophobicContact CH2-CE 3.53Å; W232-M252 HydrophobicContact CH2-CG 4.25Å; W232-M252 HydrophobicContact CH2-SD 3.78Å; W232-M252 HydrophobicContact CZ2-CE 4.34Å; W232-M252 HydrophobicContact CZ3-CE 3.6Å; W232-M252 HydrophobicContact CZ3-SD 3.83Å; W232-V253 HydrophobicContact CH2-CG2 3.95Å
233L93.7Very high94.1Very high1 Ų111 Ų111%0.0056%0.064CC..Hα-helixtrans-69.5-47-177-169.1167.9000111.1A225 H230 P231 S235 A236 M237 V253 A303A225-L233 HydrophobicContact CB-CB 3.7Å; A225-L233 HydrophobicContact CB-CD1 3.55Å; A225-L233 HydrophobicContact CB-CG 4.27Å; H230-L233 PolarHBondContact O-N 3.35Å; P231-L233 VanDerWaalsContact C-N 3.3Å; L233-S235 VanDerWaalsContact C-N 3.35Å; L233-S235 PolarHBondContact O-N 2.77Å; L233-A236 PolarHBondContact O-N 3.23Å; L233-M237 HydrophobicContact CD2-CE 4.25Å; L233-M237 WeakPolarHBondContact O-CE 3.29Å; L233-V253 HydrophobicContact CD1-CG1 3.72Å; L233-V253 HydrophobicContact CD1-CG2 3.98Å; L233-A303 HydrophobicContact CD2-CB 3.57Å; L233-A303 WeakPolarHBondContact CD2-O 3.34Å
234P93.3Very high94Very high7 Ų710.8 Ų10.85%0.0456%0.063CC..Hα-helixtrans-62.8-35.2173.1-24.534.7000114.3H230 P231 M237 F304H230-P234 VanDerWaalsContact O-CD 3.28Å; H230-P234 WeakPolarHBondContact O-CD 3.44Å; P231-P234 WeakPolarHBondContact O-CD 3.38Å; P234-M237 WeakPolarHBondContact O-CB 3.08Å; P234-M237 VanDerWaalsContact O-CG 3.32Å; P234-M237 WeakPolarHBondContact O-CG 3.32Å; P234-M237 PolarHBondContact O-N 3.12Å; P234-F304 HydrophobicContact CB-CE1 4.31Å; P234-F304 HydrophobicContact CB-CE2 4.03Å; P234-F304 HydrophobicContact CB-CZ 3.65Å; P234-F304 HydrophobicContact CG-CD1 4.16Å; P234-F304 HydrophobicContact CG-CE1 3.33Å; P234-F304 HydrophobicContact CG-CE2 3.92Å; P234-F304 HydrophobicContact CG-CZ 3.15Å
235S92.8Very high94Very high24 Ų2410.8 Ų10.817%0.1686%0.063CC..Hα-helixtrans-75.2-27178.759.10000112.8A167 Q170 P231 W232 L233 M237 E238A167-S235 VanDerWaalsContact CB-O 3.31Å; A167-S235 WeakPolarHBondContact CB-O 3.38Å; Q170-S235 VanDerWaalsContact CD-OG 3.28Å; Q170-S235 PolarHBondContact NE2-OG 2.88Å; Q170-S235 PolarHBondContact OE1-OG 3.35Å; P231-S235 PolarHBondContact O-OG 2.94Å; W232-S235 WeakPolarHBondContact CA-OG 3.42Å; W232-S235 PolarHBondContact O-N 3Å; W232-S235 PolarHBondContact O-OG 3.07Å; W232-S235 VanDerWaalsContact O-OG 3.11Å; L233-S235 VanDerWaalsContact C-N 3.35Å; L233-S235 PolarHBondContact O-N 2.77Å; S235-M237 PolarHBondContact O-N 3.17Å; S235-E238 PolarHBondContact O-N 3.46Å; S235-E238 VanDerWaalsContact O-N 3.15Å
236A92.5Very high93.9Very high2 Ų211 Ų112%0.0176%0.064CC..G310 helixtrans-59.9-12.7172.400000113.8I155 W232 L233 E238 G239I155-A236 HydrophobicContact CD1-CB 3.75Å; I155-A236 HydrophobicContact CG1-CB 4.18Å; W232-A236 HydrophobicContact CE3-CB 4.46Å; W232-A236 WeakPolarHBondContact O-CB 3.37Å; W232-A236 PolarHBondContact O-N 2.77Å; L233-A236 PolarHBondContact O-N 3.23Å; A236-E238 PolarHBondContact O-N 2.68Å; A236-G239 PolarHBondContact O-N 2.65Å; A236-G239 VanDerWaalsContact O-N 3.16Å
237M93.8Very high93.5Very high4 Ų411 Ų112%0.027%0.065CC..G310 helixtrans-67.7-6.2173.6-60.7-5812300114.2L233 P234 S235 G239 H248 K299 K300 A303 F340L233-M237 HydrophobicContact CD2-CE 4.25Å; L233-M237 WeakPolarHBondContact O-CE 3.29Å; P234-M237 WeakPolarHBondContact O-CB 3.08Å; P234-M237 VanDerWaalsContact O-CG 3.32Å; P234-M237 WeakPolarHBondContact O-CG 3.32Å; P234-M237 PolarHBondContact O-N 3.12Å; S235-M237 PolarHBondContact O-N 3.17Å; M237-G239 PolarHBondContact O-N 3Å; M237-H248 WeakPolarHBondContact CE-CD2 3.44Å; M237-H248 WeakPolarHBondContact CE-NE2 3.39Å; M237-K299 HydrophobicContact CB-CB 4.12Å; M237-K299 HydrophobicContact CG-CB 4.1Å; M237-K299 WeakPolarHBondContact O-CE 3.37Å; M237-K299 PolarHBondContact O-NZ 3.25Å; M237-K299 HydrophobicContact SD-CB 3.91Å; M237-K300 HydrophobicContact CB-CG 4.48Å; M237-K300 HydrophobicContact CG-CG 4.33Å; M237-A303 HydrophobicContact CE-CB 3.46Å; M237-A303 VanDerWaalsContact CE-CB 3.46Å; M237-A303 HydrophobicContact CG-CB 3.88Å; M237-A303 HydrophobicContact SD-CB 3.81Å; M237-F340 HydrophobicContact CE-CE1 4.43Å; M237-F340 HydrophobicContact CE-CZ 4.3Å; M237-F340 HydrophobicContact SD-CE1 3.8Å; M237-F340 HydrophobicContact SD-CZ 4.22Å
238E91.5Very high92.8Very high62 Ų628 Ų829%0.295%0.049SC..G310 helixtrans-68.4-24.3168.6-69.8-55.7145.100112.7D163 A164 S235 A236D163-E238 HydrophobicContact CB-CG 4.47Å; A164-E238 HydrophobicContact CB-CB 4.38Å; S235-E238 PolarHBondContact O-N 3.46Å; S235-E238 VanDerWaalsContact O-N 3.15Å; A236-E238 PolarHBondContact O-N 2.68Å
239G92.3Very high92Very high1 Ų17 Ų71%0.014%0.038CC..SBendtrans-65.5160.8174.900000112.9A236 M237 K299A236-G239 PolarHBondContact O-N 2.65Å; A236-G239 VanDerWaalsContact O-N 3.16Å; M237-G239 PolarHBondContact O-N 3Å; G239-K299 PolarHBondContact O-NZ 2.93Å
240P94.6Very high91.1Very high1 Ų15.9 Ų5.91%0.0063%0.032CC..  trans-61.8152.4-179.826.6-33.8000111.7Y107 M108 F117 W157 W158 P242 V243 S244Y107-P240 HydrophobicContact CE1-CB 4.39Å; M108-P240 HydrophobicContact SD-CB 4.16Å; F117-P240 HydrophobicContact CE2-CG 3.86Å; F117-P240 HydrophobicContact CZ-CG 4.49Å; W157-P240 HydrophobicContact CB-CG 4.31Å; W157-P240 HydrophobicContact CG-CG 4.48Å; W158-P240 HydrophobicContact CH2-CB 3.97Å; W158-P240 HydrophobicContact CZ2-CB 4.4Å; W158-P240 HydrophobicContact CZ3-CB 4.4Å; P240-P242 VanDerWaalsContact C-CD 3.41Å; P240-V243 HydrophobicContact CG-CB 4.12Å; P240-V243 HydrophobicContact CG-CG2 3.68Å; P240-V243 WeakPolarHBondContact O-CB 3.34Å; P240-V243 PolarHBondContact O-N 3.39Å; P240-V243 VanDerWaalsContact O-N 3.07Å; P240-S244 PolarHBondContact O-N 3.32Å; P240-S244 VanDerWaalsContact O-N 3.12Å
241T94.6Very high90.7Very high0 Ų05.6 Ų5.60%03%0.031CC..Hα-helixtrans-60.4-36.5-171.860.20000114.6Y107 V243 S244 A245 K299 I347Y107-T241 WeakPolarHBondContact CD2-OG1 3.41Å; Y107-T241 HydrophobicContact CE2-CG2 4.14Å; Y107-T241 WeakPolarHBondContact CE2-OG1 3.28Å; T241-V243 VanDerWaalsContact C-N 3.27Å; T241-V243 PolarHBondContact O-N 3.41Å; T241-S244 WeakPolarHBondContact CA-OG 3.26Å; T241-S244 PolarHBondContact O-N 2.98Å; T241-S244 PolarHBondContact O-OG 2.95Å; T241-A245 WeakPolarHBondContact O-CB 3.38Å; T241-A245 PolarHBondContact O-N 2.92Å; T241-K299 HydrophobicContact CG2-CD 3.96Å; T241-I347 HydrophobicContact CG2-CD1 4.04Å
242P95.3Very high90.5Very high0 Ų05.3 Ų5.30%03%0.029CC..Hα-helixtrans-64.2-33.6176.2-16.830.3000112.4I100 F103 Y107 F117 P240 A245 L246I100-P242 HydrophobicContact CG2-CB 3.89Å; I100-P242 WeakPolarHBondContact CG2-O 3.28Å; F103-P242 HydrophobicContact CD1-CB 4.25Å; F103-P242 HydrophobicContact CD1-CG 3.92Å; F103-P242 HydrophobicContact CE1-CG 3.94Å; Y107-P242 HydrophobicContact CD1-CG 3.86Å; Y107-P242 HydrophobicContact CG-CG 4.14Å; F117-P242 HydrophobicContact CE1-CB 4.47Å; F117-P242 HydrophobicContact CZ-CB 4.17Å; F117-P242 HydrophobicContact CZ-CG 4.45Å; P240-P242 VanDerWaalsContact C-CD 3.41Å; P242-A245 PolarHBondContact O-N 3.18Å; P242-L246 PolarHBondContact O-N 3.21Å; P242-L246 VanDerWaalsContact O-N 3.11Å
243V94.3Very high90.5Very high3 Ų35.4 Ų5.42%0.0183%0.03CC..Hα-helixtrans-66.1-49.5174.5170.50000109.8F117 L154 P240 T241 A245 L246 L247F117-V243 HydrophobicContact CE2-CG2 3.5Å; F117-V243 HydrophobicContact CZ-CG2 3.69Å; L154-V243 HydrophobicContact CB-CB 4.41Å; L154-V243 HydrophobicContact CB-CG1 3.62Å; L154-V243 HydrophobicContact CB-CG2 3.86Å; L154-V243 HydrophobicContact CD1-CG1 4.47Å; L154-V243 HydrophobicContact CD1-CG2 4.38Å; L154-V243 HydrophobicContact CD2-CG2 3.9Å; L154-V243 HydrophobicContact CG-CG2 4.27Å; P240-V243 HydrophobicContact CG-CB 4.12Å; P240-V243 HydrophobicContact CG-CG2 3.68Å; P240-V243 WeakPolarHBondContact O-CB 3.34Å; P240-V243 PolarHBondContact O-N 3.39Å; P240-V243 VanDerWaalsContact O-N 3.07Å; T241-V243 VanDerWaalsContact C-N 3.27Å; T241-V243 PolarHBondContact O-N 3.41Å; V243-A245 VanDerWaalsContact C-N 3.26Å; V243-A245 PolarHBondContact O-N 3.22Å; V243-L246 PolarHBondContact O-N 3.36Å; V243-L247 HydrophobicContact CG1-CD1 3.45Å; V243-L247 VanDerWaalsContact CG1-CD1 3.45Å; V243-L247 HydrophobicContact CG1-CG 3.86Å; V243-L247 WeakPolarHBondContact O-CB 3.45Å; V243-L247 WeakPolarHBondContact O-CG 3.32Å; V243-L247 PolarHBondContact O-N 3.01Å
244S92.6Very high90.5Very high0 Ų05.4 Ų5.40%03%0.03CC..Hα-helixtrans-60.5-38.4177.860.90000112.2P240 T241 L246 H248P240-S244 PolarHBondContact O-N 3.32Å; P240-S244 VanDerWaalsContact O-N 3.12Å; T241-S244 WeakPolarHBondContact CA-OG 3.26Å; T241-S244 PolarHBondContact O-N 2.98Å; T241-S244 PolarHBondContact O-OG 2.95Å; S244-L246 VanDerWaalsContact C-N 3.27Å; S244-L246 PolarHBondContact O-N 2.68Å; S244-H248 WeakPolarHBondContact O-CB 3.39Å; S244-H248 PolarHBondContact O-CD2 3.49Å; S244-H248 PolarHBondContact O-N 3.45Å; S244-H248 VanDerWaalsContact O-N 3.14Å
245A92.6Very high90.5Very high0 Ų05.1 Ų5.10%03%0.028CC..Hα-helixtrans-59.4-40.2175.500000111.5I100 T241 P242 V243 S249 F340I100-A245 HydrophobicContact CD1-CB 4.05Å; I100-A245 HydrophobicContact CG1-CB 4.28Å; T241-A245 WeakPolarHBondContact O-CB 3.38Å; T241-A245 PolarHBondContact O-N 2.92Å; P242-A245 PolarHBondContact O-N 3.18Å; V243-A245 VanDerWaalsContact C-N 3.26Å; V243-A245 PolarHBondContact O-N 3.22Å; A245-S249 WeakPolarHBondContact O-CB 3.45Å; A245-S249 PolarHBondContact O-N 2.98Å; A245-S249 PolarHBondContact O-OG 3.05Å; A245-F340 HydrophobicContact CB-CB 3.53Å; A245-F340 HydrophobicContact CB-CG 4.32Å
246L92.5Very high90.5Very high3 Ų34 Ų42%0.0162%0.02CC..Hα-helixtrans-79.1-51-176.9-164.9150.1000112.6T97 I100 L121 F124 P242 V243 S244 H248 T251T97-L246 HydrophobicContact CG2-CD1 3.59Å; T97-L246 HydrophobicContact CG2-CG 4.15Å; I100-L246 HydrophobicContact CD1-CB 3.66Å; I100-L246 HydrophobicContact CD1-CD1 4.26Å; I100-L246 HydrophobicContact CD1-CG 4.05Å; I100-L246 HydrophobicContact CG2-CB 4.43Å; I100-L246 HydrophobicContact CG2-CD1 4.4Å; L121-L246 HydrophobicContact CD1-CD1 4.25Å; L121-L246 HydrophobicContact CD2-CD1 3.26Å; L121-L246 HydrophobicContact CG-CD1 3.75Å; F124-L246 HydrophobicContact CD1-CD2 3.18Å; F124-L246 HydrophobicContact CE1-CD2 3Å; F124-L246 HydrophobicContact CE1-CG 4.48Å; F124-L246 HydrophobicContact CG-CD2 4.21Å; F124-L246 HydrophobicContact CZ-CD2 3.87Å; P242-L246 PolarHBondContact O-N 3.21Å; P242-L246 VanDerWaalsContact O-N 3.11Å; V243-L246 PolarHBondContact O-N 3.36Å; S244-L246 VanDerWaalsContact C-N 3.27Å; S244-L246 PolarHBondContact O-N 2.68Å; L246-H248 PolarHBondContact O-N 2.88Å; L246-T251 HydrophobicContact CD2-CG2 3.96Å; L246-T251 WeakPolarHBondContact CD2-OG1 3.37Å; L246-T251 PolarHBondContact O-OG1 2.53Å
247L87.6Confident90.7Very high2 Ų23.9 Ų3.91%0.012%0.019CC..Hα-helixtrans-61.6-43.3-175.6-66.8-176.4000111.5F124 I155 V243 M252 V253F124-L247 HydrophobicContact CD2-CD2 3.86Å; F124-L247 HydrophobicContact CE1-CD2 4.21Å; F124-L247 HydrophobicContact CE2-CD2 3.13Å; F124-L247 HydrophobicContact CZ-CD2 3.36Å; I155-L247 HydrophobicContact CD1-CD1 4.5Å; I155-L247 HydrophobicContact CG1-CD1 4.25Å; V243-L247 HydrophobicContact CG1-CD1 3.45Å; V243-L247 VanDerWaalsContact CG1-CD1 3.45Å; V243-L247 HydrophobicContact CG1-CG 3.86Å; V243-L247 WeakPolarHBondContact O-CB 3.45Å; V243-L247 WeakPolarHBondContact O-CG 3.32Å; V243-L247 PolarHBondContact O-N 3.01Å; L247-M252 HydrophobicContact CB-CB 4.43Å; L247-M252 HydrophobicContact CD2-CB 4.08Å; L247-M252 HydrophobicContact CD2-SD 4.23Å; L247-M252 PolarHBondContact O-N 3.36Å; L247-V253 PolarHBondContact O-N 3.46Å
248H80.9Confident90.8Very high1 Ų13.7 Ų3.71%0.0052%0.018CC..Hα-helixtrans-96.5-9.2-170.2-55-66.3000114.7M237 S244 L246 T306 F340M237-H248 WeakPolarHBondContact CE-CD2 3.44Å; M237-H248 WeakPolarHBondContact CE-NE2 3.39Å; S244-H248 WeakPolarHBondContact O-CB 3.39Å; S244-H248 PolarHBondContact O-CD2 3.49Å; S244-H248 PolarHBondContact O-N 3.45Å; S244-H248 VanDerWaalsContact O-N 3.14Å; L246-H248 PolarHBondContact O-N 2.88Å; H248-T306 HydrophobicContact CB-CG2 4.32Å; H248-T306 VanDerWaalsContact O-CG2 3.3Å; H248-T306 WeakPolarHBondContact O-CG2 3.36Å; H248-F340 HydrophobicContact CB-CE2 3.75Å; H248-F340 HydrophobicContact CB-CZ 3.97Å
249S77.9Confident91Very high0 Ų00.7 Ų0.70%00%0.004CC..Hα-helixtrans-89.4-57.5176.263.40000112.7A245 H332A245-S249 WeakPolarHBondContact O-CB 3.45Å; A245-S249 PolarHBondContact O-N 2.98Å; A245-S249 PolarHBondContact O-OG 3.05Å; S249-H332 PolarHBondContact O-ND1 3.28Å; S249-H332 VanDerWaalsContact O-ND1 3.08Å
250S75.6Confident91.1Very high0 Ų01.2 Ų1.20%01%0.007CC..THydrogen-bonded Turntrans-124.2-23.7-158.746.40000113.5F89F89-S250 WeakPolarHBondContact CE2-O 3.24Å; F89-S250 WeakPolarHBondContact CZ-O 3.33Å
251T86.6Confident91.1Very high1 Ų11.2 Ų1.21%0.0061%0.007CC..SBendtrans-118.3-82.1-159.2570000114.5F124 M128 L246 V254 A255F124-T251 VanDerWaalsContact CE1-CB 3.41Å; F124-T251 HydrophobicContact CE1-CG2 3.81Å; F124-T251 WeakPolarHBondContact CE1-OG1 3.32Å; F124-T251 WeakPolarHBondContact CZ-OG1 3.5Å; M128-T251 HydrophobicContact CB-CG2 4.45Å; M128-T251 WeakPolarHBondContact CE-O 3.11Å; M128-T251 HydrophobicContact CG-CG2 3.86Å; L246-T251 HydrophobicContact CD2-CG2 3.96Å; L246-T251 WeakPolarHBondContact CD2-OG1 3.37Å; L246-T251 PolarHBondContact O-OG1 2.53Å; T251-V254 PolarHBondContact O-N 3.33Å; T251-A255 PolarHBondContact O-N 3.39Å
252M91.3Very high91Very high0 Ų02.6 Ų2.60%01%0.012CC..THydrogen-bonded Turntrans-63.3-51.9-167.4177.8-177.4-176.600112.4F124 V147 S151 N175 W232 L247 V254 A255F124-M252 HydrophobicContact CE2-CB 4.44Å; F124-M252 HydrophobicContact CZ-CB 4.11Å; V147-M252 HydrophobicContact CG1-CB 3.8Å; V147-M252 HydrophobicContact CG1-CG 3.84Å; S151-M252 WeakPolarHBondContact CB-SD 3.38Å; S151-M252 VanDerWaalsContact OG-CE 3.27Å; S151-M252 WeakPolarHBondContact OG-CE 3.36Å; N175-M252 WeakPolarHBondContact ND2-CE 3.49Å; W232-M252 HydrophobicContact CE3-CE 4.46Å; W232-M252 HydrophobicContact CH2-CE 3.53Å; W232-M252 HydrophobicContact CH2-CG 4.25Å; W232-M252 HydrophobicContact CH2-SD 3.78Å; W232-M252 HydrophobicContact CZ2-CE 4.34Å; W232-M252 HydrophobicContact CZ3-CE 3.6Å; W232-M252 HydrophobicContact CZ3-SD 3.83Å; L247-M252 HydrophobicContact CB-CB 4.43Å; L247-M252 HydrophobicContact CD2-CB 4.08Å; L247-M252 HydrophobicContact CD2-SD 4.23Å; L247-M252 PolarHBondContact O-N 3.36Å; M252-V254 VanDerWaalsContact C-N 3.26Å; M252-V254 PolarHBondContact O-N 2.96Å; M252-A255 WeakPolarHBondContact O-CB 3.41Å; M252-A255 PolarHBondContact O-N 3.39Å
253V93.9Very high90.8Very high1 Ų12.9 Ų2.91%0.0061%0.013CC..THydrogen-bonded Turntrans-73.9-25.9-171.6-158.30000111.8K223 S224 A225 W232 L233 L247 L310K223-V253 WeakPolarHBondContact O-CA 3.32Å; S224-V253 WeakPolarHBondContact CA-O 3.33Å; S224-V253 VanDerWaalsContact CB-O 3.24Å; S224-V253 WeakPolarHBondContact CB-O 3.39Å; A225-V253 HydrophobicContact CB-CG1 4.39Å; W232-V253 HydrophobicContact CH2-CG2 3.95Å; L233-V253 HydrophobicContact CD1-CG1 3.72Å; L233-V253 HydrophobicContact CD1-CG2 3.98Å; L247-V253 PolarHBondContact O-N 3.46Å; V253-L310 HydrophobicContact CB-CD1 3.79Å; V253-L310 HydrophobicContact CG1-CD1 3.09Å; V253-L310 HydrophobicContact CG1-CD2 4.34Å; V253-L310 HydrophobicContact CG1-CG 4.3Å
254V93.9Very high90.6Very high1 Ų13.9 Ų3.91%0.0062%0.018CC..Hα-helixtrans-73.2-28.3176.6171.30000111.7F89 T251 M252 G256 V257 F258 L310 I329F89-V254 HydrophobicContact CE2-CG1 4.39Å; T251-V254 PolarHBondContact O-N 3.33Å; M252-V254 VanDerWaalsContact C-N 3.26Å; M252-V254 PolarHBondContact O-N 2.96Å; V254-G256 PolarHBondContact O-N 3.44Å; V254-G256 VanDerWaalsContact O-N 3.13Å; V254-V257 PolarHBondContact O-N 3.38Å; V254-F258 WeakPolarHBondContact O-CB 3.48Å; V254-F258 PolarHBondContact O-N 2.91Å; V254-L310 HydrophobicContact CG2-CD2 4.27Å; V254-I329 HydrophobicContact CB-CG2 4.47Å; V254-I329 HydrophobicContact CG1-CB 4.2Å; V254-I329 HydrophobicContact CG1-CD1 3.73Å; V254-I329 HydrophobicContact CG1-CG1 3.83Å; V254-I329 HydrophobicContact CG1-CG2 3.32Å; V254-I329 HydrophobicContact CG2-CG2 4.35Å
255A93.6Very high90.4Very high1 Ų17.2 Ų7.21%0.0084%0.039CC..Hα-helixtrans-55.3-35.1-175.500000113.6M128 L131 W144 T251 M252 L259M128-A255 HydrophobicContact CE-CB 4.47Å; L131-A255 HydrophobicContact CD1-CB 3.8Å; L131-A255 HydrophobicContact CD2-CB 4.28Å; W144-A255 HydrophobicContact CZ3-CB 4.45Å; T251-A255 PolarHBondContact O-N 3.39Å; M252-A255 WeakPolarHBondContact O-CB 3.41Å; M252-A255 PolarHBondContact O-N 3.39Å; A255-L259 WeakPolarHBondContact O-CB 3.28Å; A255-L259 PolarHBondContact O-N 3.3Å
256G93.6Very high90.2Very high0 Ų07.5 Ų7.50%04%0.041CC..Hα-helixtrans-66.6-43.817600000113.4A220 V254 L259 L260A220-G256 VanDerWaalsContact CB-O 3.29Å; A220-G256 WeakPolarHBondContact CB-O 3.4Å; V254-G256 PolarHBondContact O-N 3.44Å; V254-G256 VanDerWaalsContact O-N 3.13Å; G256-L259 WeakPolarHBondContact O-CB 3.34Å; G256-L259 PolarHBondContact O-N 2.91Å; G256-L260 PolarHBondContact O-N 3.28Å
257V95.7Very high90Very high0 Ų08 Ų80%05%0.045CC..Hα-helixtrans-68.6-41.4176-179.90000110.2V254 L259 L260 I261 L310 M313 I317 I329V254-V257 PolarHBondContact O-N 3.38Å; V257-L259 VanDerWaalsContact C-N 3.3Å; V257-L259 PolarHBondContact O-N 3.07Å; V257-L260 PolarHBondContact O-N 3.41Å; V257-L260 VanDerWaalsContact O-N 3.11Å; V257-I261 HydrophobicContact CG1-CD1 4.01Å; V257-I261 WeakPolarHBondContact O-CG1 3.45Å; V257-I261 PolarHBondContact O-N 2.91Å; V257-L310 HydrophobicContact CG2-CD2 4.08Å; V257-M313 HydrophobicContact CG1-CB 3.76Å; V257-M313 HydrophobicContact CG2-CB 4.41Å; V257-I317 HydrophobicContact CG1-CD1 3.58Å; V257-I329 HydrophobicContact CB-CD1 4.37Å; V257-I329 HydrophobicContact CG1-CD1 3.92Å
258F95.7Very high90Very high0 Ų012.2 Ų12.20%07%0.065CC..Hα-helixtrans-58.7-40.8175.7-177.7-95.6000112.2F85 L131 V132 V254 L260 I261 R262 F326F85-F258 HydrophobicContact CB-CE2 3.94Å; F85-F258 HydrophobicContact CB-CZ 4.37Å; L131-F258 HydrophobicContact CD2-CD1 3.88Å; L131-F258 HydrophobicContact CD2-CE1 4.21Å; V132-F258 HydrophobicContact CB-CE1 4.33Å; V132-F258 HydrophobicContact CB-CZ 4.05Å; V132-F258 HydrophobicContact CG1-CE1 4.46Å; V132-F258 HydrophobicContact CG1-CE2 4.17Å; V132-F258 HydrophobicContact CG1-CZ 3.7Å; V132-F258 HydrophobicContact CG2-CE1 4.29Å; V132-F258 HydrophobicContact CG2-CZ 4.18Å; V254-F258 WeakPolarHBondContact O-CB 3.48Å; V254-F258 PolarHBondContact O-N 2.91Å; F258-L260 VanDerWaalsContact C-N 3.33Å; F258-L260 PolarHBondContact O-N 3.46Å; F258-I261 WeakPolarHBondContact O-CB 3.31Å; F258-I261 PolarHBondContact O-N 2.99Å; F258-R262 HydrophobicContact CD1-CG 4.03Å; F258-R262 HydrophobicContact CE1-CG 3.71Å; F258-R262 VanDerWaalsContact CE1-NE 3.32Å; F258-R262 HydrophobicContact CZ-CG 4.15Å; F258-R262 WeakPolarHBondContact O-CG 3.41Å; F258-R262 PolarHBondContact O-N 3.36Å; F258-F326 HydrophobicContact CD2-CD2 4.49Å; F258-F326 HydrophobicContact CD2-CE2 4.4Å; F258-F326 HydrophobicContact CE2-CE2 4.2Å
259L95.5Very high90.3Very high0 Ų016.5 Ų16.50%09%0.088CC..Hα-helixtrans-57.2-45.8173.7176.2148.3000111.6L140 W144 F182 L216 A255 G256 V257 I261 R262 F263L140-L259 HydrophobicContact CD2-CD1 4.1Å; W144-L259 HydrophobicContact CE3-CD1 4.32Å; W144-L259 HydrophobicContact CH2-CD1 4.19Å; W144-L259 HydrophobicContact CZ3-CB 4.22Å; W144-L259 HydrophobicContact CZ3-CD1 3.82Å; F182-L259 HydrophobicContact CD2-CD1 3.57Å; F182-L259 HydrophobicContact CE2-CD1 3.27Å; F182-L259 HydrophobicContact CZ-CD1 4.27Å; L216-L259 HydrophobicContact CB-CD2 3.8Å; L216-L259 HydrophobicContact CD2-CD1 4.23Å; L216-L259 HydrophobicContact CD2-CD2 3.67Å; L216-L259 HydrophobicContact CD2-CG 4.31Å; L216-L259 HydrophobicContact CG-CD2 4.2Å; A255-L259 WeakPolarHBondContact O-CB 3.28Å; A255-L259 PolarHBondContact O-N 3.3Å; G256-L259 WeakPolarHBondContact O-CB 3.34Å; G256-L259 PolarHBondContact O-N 2.91Å; V257-L259 VanDerWaalsContact C-N 3.3Å; V257-L259 PolarHBondContact O-N 3.07Å; L259-I261 VanDerWaalsContact C-N 3.33Å; L259-I261 PolarHBondContact O-N 3.32Å; L259-R262 WeakPolarHBondContact O-CB 3.45Å; L259-R262 PolarHBondContact O-N 3.43Å; L259-F263 HydrophobicContact CD2-CD2 4.25Å; L259-F263 HydrophobicContact CG-CD2 4.16Å; L259-F263 HydrophobicContact CG-CE2 4.33Å; L259-F263 VanDerWaalsContact O-CD2 3.25Å; L259-F263 WeakPolarHBondContact O-CD2 3.48Å; L259-F263 PolarHBondContact O-N 3.35Å; L259-F263 VanDerWaalsContact O-N 3.15Å
260L95.2Very high90.9Very high11 Ų1117.1 Ų17.16%0.0589%0.092CC..Hα-helixtrans-68-34.9179.2-69.6175.7000112.3L216 A220 G256 V257 F258 R262 F263 H264 M314 I317L216-L260 HydrophobicContact CB-CD2 4.2Å; A220-L260 HydrophobicContact CB-CD1 3.48Å; A220-L260 VanDerWaalsContact CB-CD1 3.48Å; A220-L260 HydrophobicContact CB-CD2 4.32Å; A220-L260 HydrophobicContact CB-CG 3.7Å; G256-L260 PolarHBondContact O-N 3.28Å; V257-L260 PolarHBondContact O-N 3.41Å; V257-L260 VanDerWaalsContact O-N 3.11Å; F258-L260 VanDerWaalsContact C-N 3.33Å; F258-L260 PolarHBondContact O-N 3.46Å; L260-R262 VanDerWaalsContact C-N 3.32Å; L260-F263 CarbonylContact O-C 3.46Å; L260-F263 PolarHBondContact O-N 3.04Å; L260-H264 PolarHBondContact O-N 3.36Å; L260-M314 HydrophobicContact CD1-CE 3.3Å; L260-M314 HydrophobicContact CD1-SD 3.56Å; L260-M314 VanDerWaalsContact CD1-SD 3.56Å; L260-I317 HydrophobicContact CB-CD1 3.85Å; L260-I317 HydrophobicContact CB-CG2 4.35Å; L260-I317 HydrophobicContact CD1-CD1 4.49Å
261I94.8Very high91.6Very high1 Ų121.6 Ų21.61%0.00512%0.121CC..Hα-helixtrans-61.6-42172.9-68.8163.6000110.5F85 V257 F258 L259 F263 H264 I317 P322 A325 F326 I329F85-I261 HydrophobicContact CD1-CG2 3.72Å; F85-I261 HydrophobicContact CD2-CG2 4.28Å; F85-I261 HydrophobicContact CE1-CG2 3.29Å; F85-I261 HydrophobicContact CE2-CG2 3.89Å; F85-I261 HydrophobicContact CG-CG2 4.21Å; F85-I261 HydrophobicContact CZ-CG2 3.38Å; V257-I261 HydrophobicContact CG1-CD1 4.01Å; V257-I261 WeakPolarHBondContact O-CG1 3.45Å; V257-I261 PolarHBondContact O-N 2.91Å; F258-I261 WeakPolarHBondContact O-CB 3.31Å; F258-I261 PolarHBondContact O-N 2.99Å; L259-I261 VanDerWaalsContact C-N 3.33Å; L259-I261 PolarHBondContact O-N 3.32Å; I261-F263 VanDerWaalsContact C-N 3.32Å; I261-F263 PolarHBondContact O-N 3.08Å; I261-H264 WeakPolarHBondContact O-CB 3.29Å; I261-H264 PolarHBondContact O-N 3.14Å; I261-I317 HydrophobicContact CD1-CD1 4.48Å; I261-I317 HydrophobicContact CG1-CD1 3.85Å; I261-I317 HydrophobicContact CG1-CG1 4.23Å; I261-P322 HydrophobicContact CG1-CB 4.4Å; I261-P322 HydrophobicContact CG2-CB 4.3Å; I261-A325 HydrophobicContact CD1-CB 3.96Å; I261-A325 HydrophobicContact CG1-CB 4.31Å; I261-F326 HydrophobicContact CD1-CB 4.12Å; I261-I329 HydrophobicContact CD1-CD1 3.52Å
262R92.3Very high92Very high29 Ų2925.9 Ų25.911%0.10914%0.144CC..Hα-helixtrans-63.4-36177.1-70.3-68.4-170177.1-5.3113.1D83 V132 F258 L259 L260 H264D83-R262 IonicContact OD1-CZ 2.67Å; D83-R262 VanDerWaalsContact OD1-CZ 3.26Å; D83-R262 IonicContact OD1-NH1 3.36Å; D83-R262 PolarHBondContact OD1-NH1 2.92Å; D83-R262 IonicContact OD1-NH2 3.18Å; D83-R262 PolarHBondContact OD1-NH2 3.45Å; D83-R262 IonicContact OD2-CZ 3.09Å; D83-R262 IonicContact OD2-NH1 2.53Å; D83-R262 PolarHBondContact OD2-NH1 3.01Å; V132-R262 PolarHBondContact O-NH2 2.91Å; F258-R262 HydrophobicContact CD1-CG 4.03Å; F258-R262 HydrophobicContact CE1-CG 3.71Å; F258-R262 VanDerWaalsContact CE1-NE 3.32Å; F258-R262 HydrophobicContact CZ-CG 4.15Å; F258-R262 WeakPolarHBondContact O-CG 3.41Å; F258-R262 PolarHBondContact O-N 3.36Å; L259-R262 WeakPolarHBondContact O-CB 3.45Å; L259-R262 PolarHBondContact O-N 3.43Å; L260-R262 VanDerWaalsContact C-N 3.32Å; R262-H264 VanDerWaalsContact C-N 3.34Å
263F90.5Very high92.1Very high7 Ų726.2 Ų26.23%0.03115%0.145CC..THydrogen-bonded Turntrans-94.716.6177.8-69.5-70.3000113.6L137 P198 M201 L216 L259 L260 I261 L266 A267L137-F263 HydrophobicContact CD1-CZ 4.16Å; L137-F263 HydrophobicContact CD2-CE1 4.3Å; L137-F263 HydrophobicContact CD2-CE2 3.64Å; L137-F263 HydrophobicContact CD2-CZ 3.24Å; L137-F263 HydrophobicContact CG-CE1 4.5Å; L137-F263 HydrophobicContact CG-CZ 3.75Å; P198-F263 HydrophobicContact CB-CE1 3.8Å; P198-F263 HydrophobicContact CB-CZ 4.32Å; M201-F263 HydrophobicContact CE-CD1 4.24Å; M201-F263 HydrophobicContact CE-CE1 3.61Å; L216-F263 HydrophobicContact CD1-CB 4Å; L216-F263 HydrophobicContact CD1-CD1 4.33Å; L216-F263 HydrophobicContact CD1-CD2 3.86Å; L216-F263 HydrophobicContact CD1-CG 3.77Å; L216-F263 HydrophobicContact CD2-CD2 4.16Å; L216-F263 HydrophobicContact CD2-CE2 4.29Å; L259-F263 HydrophobicContact CD2-CD2 4.25Å; L259-F263 HydrophobicContact CG-CD2 4.16Å; L259-F263 HydrophobicContact CG-CE2 4.33Å; L259-F263 VanDerWaalsContact O-CD2 3.25Å; L259-F263 WeakPolarHBondContact O-CD2 3.48Å; L259-F263 PolarHBondContact O-N 3.35Å; L259-F263 VanDerWaalsContact O-N 3.15Å; L260-F263 CarbonylContact O-C 3.46Å; L260-F263 PolarHBondContact O-N 3.04Å; I261-F263 VanDerWaalsContact C-N 3.32Å; I261-F263 PolarHBondContact O-N 3.08Å; F263-L266 HydrophobicContact CD1-CD1 3.78Å; F263-L266 PolarHBondContact O-N 3.44Å; F263-L266 VanDerWaalsContact O-N 3.07Å; F263-A267 PolarHBondContact O-N 3.24Å; F263-A267 VanDerWaalsContact O-N 3.14Å
264H89.6Confident92.1Very high24 Ų2428 Ų2811%0.11115%0.154CC..Hα-helixtrans-53.7-43.6179.1165.7-92.9000114L260 I261 R262 L266 A267 E268 N320 P322L260-H264 PolarHBondContact O-N 3.36Å; I261-H264 WeakPolarHBondContact O-CB 3.29Å; I261-H264 PolarHBondContact O-N 3.14Å; R262-H264 VanDerWaalsContact C-N 3.34Å; H264-L266 PolarHBondContact O-N 2.61Å; H264-L266 VanDerWaalsContact O-N 3.1Å; H264-A267 PolarHBondContact O-N 3.21Å; H264-E268 IonicContact CE1-OE2 2.96Å; H264-E268 PolarHBondContact CE1-OE2 3.48Å; H264-E268 PolarHBondContact O-N 2.9Å; H264-N320 PolarHBondContact NE2-OD1 2.94Å; H264-P322 HydrophobicContact CB-CB 3.98Å; H264-P322 HydrophobicContact CB-CG 4.09Å; H264-P322 WeakPolarHBondContact CD2-CG 3.37Å; H264-P322 VanDerWaalsContact CG-CG 3.42Å
265P89.1Confident92.2Very high70 Ų7031.3 Ų31.346%0.45517%0.174SC..Hα-helixtrans-58.6-28.2178.4-26.835.5000114A202A202-P265 HydrophobicContact CB-CB 4.32Å
266L88Confident92.3Very high5 Ų534.5 Ų34.53%0.02619%0.19CC..Hα-helixtrans-80.8-35.7173.8-62.1176000111.7F189 M201 A202 N205 P208 L213 F263 H264 E268F189-L266 HydrophobicContact CE1-CD1 4.24Å; F189-L266 HydrophobicContact CZ-CD1 4.02Å; M201-L266 HydrophobicContact CE-CD1 4Å; A202-L266 HydrophobicContact CB-CD2 4.5Å; N205-L266 HydrophobicContact CB-CD2 4.22Å; P208-L266 HydrophobicContact CB-CD2 4.42Å; P208-L266 WeakPolarHBondContact CG-O 3.33Å; L213-L266 HydrophobicContact CD2-CB 3.96Å; F263-L266 HydrophobicContact CD1-CD1 3.78Å; F263-L266 PolarHBondContact O-N 3.44Å; F263-L266 VanDerWaalsContact O-N 3.07Å; H264-L266 PolarHBondContact O-N 2.61Å; H264-L266 VanDerWaalsContact O-N 3.1Å; L266-E268 VanDerWaalsContact C-N 3.34Å
267A87.9Confident92.4Very high13 Ų1334.7 Ų34.711%0.10719%0.191CC..Hα-helixtrans-71.5-29.7179.700000112.6F263 H264 N269 S270 Q274F263-A267 PolarHBondContact O-N 3.24Å; F263-A267 VanDerWaalsContact O-N 3.14Å; H264-A267 PolarHBondContact O-N 3.21Å; A267-N269 VanDerWaalsContact C-N 3.3Å; A267-N269 PolarHBondContact O-N 3.28Å; A267-S270 PolarHBondContact O-N 3.32Å; A267-S270 PolarHBondContact O-OG 2.99Å; A267-S270 VanDerWaalsContact O-OG 3.09Å; A267-Q274 PolarHBondContact O-NE2 3.19Å; A267-Q274 VanDerWaalsContact O-NE2 3.16Å
268E88.6Confident92.4Very high92 Ų9235.1 Ų35.143%0.4319%0.194SC..Hα-helixtrans-57.5-39.1-178-177.8157.4-149.700113.1H264 L266 S270 Q274 N320H264-E268 IonicContact CE1-OE2 2.96Å; H264-E268 PolarHBondContact CE1-OE2 3.48Å; H264-E268 PolarHBondContact O-N 2.9Å; L266-E268 VanDerWaalsContact C-N 3.34Å; E268-S270 PolarHBondContact O-N 3.39Å; E268-Q274 VanDerWaalsContact CA-NE2 3.3Å; E268-Q274 PolarHBondContact O-NE2 3.46Å; E268-N320 PolarHBondContact OE1-ND2 3.08Å
269N86.8Confident92.5Very high90 Ų9036.7 Ų36.748%0.48121%0.205SC..THydrogen-bonded Turntrans-78.9-2.4-176.2-64.2-10.8000113.8A206 P208 A267A206-N269 PolarHBondContact O-ND2 3.04Å; P208-N269 HydrophobicContact CG-CB 4.35Å; A267-N269 VanDerWaalsContact C-N 3.3Å; A267-N269 PolarHBondContact O-N 3.28Å
270S89.9Confident92.6Very high13 Ų1338.5 Ų38.59%0.09121%0.214CC..  trans-12693.6-167.771.40000112.3L213 A267 E268 L272 I273 Q274L213-S270 VanDerWaalsContact CD1-OG 3.31Å; L213-S270 WeakPolarHBondContact CD1-OG 3.32Å; A267-S270 PolarHBondContact O-N 3.32Å; A267-S270 PolarHBondContact O-OG 2.99Å; A267-S270 VanDerWaalsContact O-OG 3.09Å; E268-S270 PolarHBondContact O-N 3.39Å; S270-L272 VanDerWaalsContact C-N 3.26Å; S270-L272 PolarHBondContact O-N 2.9Å; S270-I273 PolarHBondContact O-N 2.91Å; S270-I273 VanDerWaalsContact O-N 3.12Å; S270-I273 WeakPolarHBondContact OG-CB 3.36Å; S270-I273 WeakPolarHBondContact OG-CD1 3.43Å; S270-I273 WeakPolarHBondContact OG-CG1 3.15Å; S270-Q274 PolarHBondContact O-N 3.26Å
271P90.9Very high92.7Very high94 Ų9438 Ų3861%0.6121%0.211SC*.Hα-helixtrans-65.9-28.5-173.525.4-34.3000112.8I273 Q274 T275P271-I273 VanDerWaalsContact C-N 3.3Å; P271-I273 PolarHBondContact O-N 2.84Å; P271-Q274 PolarHBondContact O-N 2.89Å; P271-T275 WeakPolarHBondContact O-CG2 3.38Å; P271-T275 PolarHBondContact O-N 3.15Å; P271-T275 PolarHBondContact O-OG1 3.4Å
272L93.9Very high92.8Very high92 Ų9238 Ų3848%0.48221%0.211SC..Hα-helixtrans-62.4-37.7176.2-172.571.7000111.8L210 S270 T275 L276L210-L272 HydrophobicContact CD1-CD2 3.75Å; L210-L272 HydrophobicContact CD2-CD2 3.63Å; L210-L272 HydrophobicContact CG-CD2 4.36Å; S270-L272 VanDerWaalsContact C-N 3.26Å; S270-L272 PolarHBondContact O-N 2.9Å; L272-T275 WeakPolarHBondContact CA-OG1 3.15Å; L272-T275 PolarHBondContact O-OG1 3.31Å; L272-L276 HydrophobicContact CG-CD1 4.23Å; L272-L276 WeakPolarHBondContact O-CB 3.2Å; L272-L276 VanDerWaalsContact O-CG 3.23Å; L272-L276 WeakPolarHBondContact O-CG 3.43Å; L272-L276 PolarHBondContact O-N 3.4Å
273I94.6Very high93Very high7 Ų739.3 Ų39.34%0.03622%0.22CC..Hα-helixtrans-73.8-44.2-179.2-68.960.7000108.5L210 L213 S270 P271 T275 L276 T277L210-I273 HydrophobicContact CD1-CD1 3.12Å; L210-I273 HydrophobicContact CD1-CG1 3.97Å; L213-I273 HydrophobicContact CB-CD1 4.38Å; L213-I273 HydrophobicContact CB-CG1 3.57Å; L213-I273 HydrophobicContact CB-CG2 4.4Å; L213-I273 HydrophobicContact CD1-CD1 4.13Å; L213-I273 HydrophobicContact CD1-CG1 3.83Å; L213-I273 HydrophobicContact CG-CG1 4.31Å; S270-I273 PolarHBondContact O-N 2.91Å; S270-I273 VanDerWaalsContact O-N 3.12Å; S270-I273 WeakPolarHBondContact OG-CB 3.36Å; S270-I273 WeakPolarHBondContact OG-CD1 3.43Å; S270-I273 WeakPolarHBondContact OG-CG1 3.15Å; P271-I273 VanDerWaalsContact C-N 3.3Å; P271-I273 PolarHBondContact O-N 2.84Å; I273-T275 VanDerWaalsContact C-N 3.31Å; I273-T275 PolarHBondContact O-N 3.5Å; I273-L276 PolarHBondContact O-N 3.15Å; I273-T277 HydrophobicContact CG2-CG2 3.86Å; I273-T277 WeakPolarHBondContact O-CB 3.15Å; I273-T277 WeakPolarHBondContact O-CG2 3.31Å; I273-T277 PolarHBondContact O-N 2.96Å; I273-T277 PolarHBondContact O-OG1 3.29Å
274Q93.8Very high93.4Very high38 Ų3839.2 Ų39.218%0.17822%0.22CC..Hα-helixtrans-55.9-45.5175.2-71.6174.813.700111.8A267 E268 S270 P271 T277 L278 G318A267-Q274 PolarHBondContact O-NE2 3.19Å; A267-Q274 VanDerWaalsContact O-NE2 3.16Å; E268-Q274 VanDerWaalsContact CA-NE2 3.3Å; E268-Q274 PolarHBondContact O-NE2 3.46Å; S270-Q274 PolarHBondContact O-N 3.26Å; P271-Q274 PolarHBondContact O-N 2.89Å; Q274-T277 WeakPolarHBondContact CA-OG1 3.49Å; Q274-T277 PolarHBondContact O-N 2.93Å; Q274-T277 PolarHBondContact O-OG1 3.04Å; Q274-L278 VanDerWaalsContact O-CB 3.22Å; Q274-L278 WeakPolarHBondContact O-CB 3.45Å; Q274-L278 PolarHBondContact O-N 3.39Å; Q274-G318 WeakPolarHBondContact CB-O 3.32Å; Q274-G318 WeakPolarHBondContact O-CA 3.39Å
275T95.1Very high93.7Very high70 Ų7038.1 Ų38.143%0.42922%0.215SC..Hα-helixtrans-67.1-40.2176.451.50000113.1P271 L272 I273 L278 C279P271-T275 WeakPolarHBondContact O-CG2 3.38Å; P271-T275 PolarHBondContact O-N 3.15Å; P271-T275 PolarHBondContact O-OG1 3.4Å; L272-T275 WeakPolarHBondContact CA-OG1 3.15Å; L272-T275 PolarHBondContact O-OG1 3.31Å; I273-T275 VanDerWaalsContact C-N 3.31Å; I273-T275 PolarHBondContact O-N 3.5Å; T275-L278 PolarHBondContact O-N 3.11Å; T275-C279 WeakPolarHBondContact O-CB 3.32Å; T275-C279 PolarHBondContact O-N 2.94Å; T275-C279 PolarHBondContact O-SG 3.09Å
276L95.9Very high94.1Very high69 Ų6937 Ų3736%0.36121%0.205SC..Hα-helixtrans-64.8-44.8175.4-74.1171.6000112.3L214 L217 L272 I273 C279 L280L214-L276 HydrophobicContact CD2-CD1 3.78Å; L217-L276 HydrophobicContact CD2-CB 4.46Å; L272-L276 HydrophobicContact CG-CD1 4.23Å; L272-L276 WeakPolarHBondContact O-CB 3.2Å; L272-L276 VanDerWaalsContact O-CG 3.23Å; L272-L276 WeakPolarHBondContact O-CG 3.43Å; L272-L276 PolarHBondContact O-N 3.4Å; I273-L276 PolarHBondContact O-N 3.15Å; L276-C279 PolarHBondContact O-N 2.71Å; L276-L280 WeakPolarHBondContact O-CB 3.37Å; L276-L280 PolarHBondContact O-N 2.58Å
277T96.1Very high94.5Very high3 Ų338.4 Ų38.42%0.01821%0.211CC..Hα-helixtrans-61.2-44.9176.858.90000110.8L217 I273 Q274 G281 M314 G318L217-T277 HydrophobicContact CD1-CG2 3.28Å; I273-T277 HydrophobicContact CG2-CG2 3.86Å; I273-T277 WeakPolarHBondContact O-CB 3.15Å; I273-T277 WeakPolarHBondContact O-CG2 3.31Å; I273-T277 PolarHBondContact O-N 2.96Å; I273-T277 PolarHBondContact O-OG1 3.29Å; Q274-T277 WeakPolarHBondContact CA-OG1 3.49Å; Q274-T277 PolarHBondContact O-N 2.93Å; Q274-T277 PolarHBondContact O-OG1 3.04Å; T277-G281 PolarHBondContact O-N 3.38Å; T277-M314 HydrophobicContact CG2-CE 3.62Å; T277-M314 WeakPolarHBondContact O-CG 3.2Å; T277-G318 WeakPolarHBondContact OG1-CA 3.32Å
278L96.6Very high95Very high9 Ų937.9 Ų37.95%0.04721%0.206CC..Hα-helixtrans-59.7-52.6176-173.6101000112Q274 T275 G281 A282 V315 I319 N405 A408Q274-L278 VanDerWaalsContact O-CB 3.22Å; Q274-L278 WeakPolarHBondContact O-CB 3.45Å; Q274-L278 PolarHBondContact O-N 3.39Å; T275-L278 PolarHBondContact O-N 3.11Å; L278-G281 PolarHBondContact O-N 3.19Å; L278-A282 WeakPolarHBondContact O-CB 3.21Å; L278-A282 PolarHBondContact O-N 3.49Å; L278-V315 HydrophobicContact CD1-CG1 3.92Å; L278-I319 HydrophobicContact CD1-CG2 3.42Å; L278-I319 VanDerWaalsContact CD1-CG2 3.42Å; L278-N405 HydrophobicContact CD2-CB 3.82Å; L278-A408 HydrophobicContact CD2-CB 3.48Å; L278-A408 VanDerWaalsContact CD2-CB 3.48Å; L278-A408 HydrophobicContact CG-CB 3.9Å
279C97Very high95.4Very high34 Ų3433.5 Ų33.523%0.2319%0.186CC..Hα-helixtrans-63.9-43.7-178.7-73.10000111.7T275 L276 A282 I283T275-C279 WeakPolarHBondContact O-CB 3.32Å; T275-C279 PolarHBondContact O-N 2.94Å; T275-C279 PolarHBondContact O-SG 3.09Å; L276-C279 PolarHBondContact O-N 2.71Å; C279-A282 PolarHBondContact O-N 3.15Å; C279-I283 WeakPolarHBondContact O-CD1 3.44Å; C279-I283 VanDerWaalsContact O-CG1 3.24Å; C279-I283 WeakPolarHBondContact O-CG1 3.27Å; C279-I283 PolarHBondContact O-N 2.87Å; C279-I283 VanDerWaalsContact O-N 3.1Å
280L97.3Very high95.8Very high38 Ų3831 Ų3120%0.19917%0.174CC..Hα-helixtrans-62.2-44.8178.1-178134.7000111.2Q226 L276 T284 M314Q226-L280 HydrophobicContact CB-CD2 3.5Å; Q226-L280 VanDerWaalsContact CB-CD2 3.5Å; Q226-L280 HydrophobicContact CB-CG 4.28Å; Q226-L280 HydrophobicContact CG-CD2 3.57Å; L276-L280 WeakPolarHBondContact O-CB 3.37Å; L276-L280 PolarHBondContact O-N 2.58Å; L280-T284 VanDerWaalsContact O-CG2 3.27Å; L280-T284 WeakPolarHBondContact O-CG2 3.43Å; L280-T284 PolarHBondContact O-N 3.41Å; L280-T284 PolarHBondContact O-OG1 2.87Å; L280-M314 HydrophobicContact CD2-CE 4.13Å; L280-M314 HydrophobicContact CD2-CG 4.17Å
281G97.3Very high96.1Very high0 Ų030.4 Ų30.40%017%0.17CC..Hα-helixtrans-63.2-44.1174.700000113.7T277 L278 I283 T284 T285 G311T277-G281 PolarHBondContact O-N 3.38Å; L278-G281 PolarHBondContact O-N 3.19Å; G281-I283 PolarHBondContact O-N 3.06Å; G281-T284 WeakPolarHBondContact CA-OG1 3.48Å; G281-T284 PolarHBondContact O-N 2.88Å; G281-T284 PolarHBondContact O-OG1 3.37Å; G281-T285 WeakPolarHBondContact O-CG2 3.3Å; G281-T285 PolarHBondContact O-N 3.14Å; G281-G311 WeakPolarHBondContact CA-O 3.47Å
282A97.5Very high96.4Very high0 Ų026 Ų260%014%0.141CC..Hα-helixtrans-61.9-45.2-179.600000111.2L278 C279 T284 T285 L286 V315 A408 I411 T412L278-A282 WeakPolarHBondContact O-CB 3.21Å; L278-A282 PolarHBondContact O-N 3.49Å; C279-A282 PolarHBondContact O-N 3.15Å; A282-T284 VanDerWaalsContact C-N 3.31Å; A282-T284 PolarHBondContact O-N 2.82Å; A282-T285 PolarHBondContact O-N 3.05Å; A282-T285 PolarHBondContact O-OG1 3.22Å; A282-L286 PolarHBondContact O-N 3.07Å; A282-V315 HydrophobicContact CB-CG2 4.19Å; A282-A408 HydrophobicContact CB-CB 3.77Å; A282-I411 HydrophobicContact CB-CG2 4.27Å; A282-I411 WeakPolarHBondContact O-CG2 3.29Å; A282-T412 HydrophobicContact CB-CG2 4.03Å
283I97.1Very high96.5Very high58 Ų5823.8 Ų23.830%0.29713%0.129SC..Hα-helixtrans-64.6-38179.3-58.5160.4000111.2L227 C279 G281 F287 W407L227-I283 HydrophobicContact CD1-CG2 4.09Å; L227-I283 HydrophobicContact CD2-CB 4.32Å; L227-I283 HydrophobicContact CD2-CG2 3.42Å; L227-I283 VanDerWaalsContact CD2-CG2 3.42Å; L227-I283 HydrophobicContact CG-CG2 4.25Å; C279-I283 WeakPolarHBondContact O-CD1 3.44Å; C279-I283 VanDerWaalsContact O-CG1 3.24Å; C279-I283 WeakPolarHBondContact O-CG1 3.27Å; C279-I283 PolarHBondContact O-N 2.87Å; C279-I283 VanDerWaalsContact O-N 3.1Å; G281-I283 PolarHBondContact O-N 3.06Å; I283-F287 VanDerWaalsContact O-CB 3.27Å; I283-F287 WeakPolarHBondContact O-CB 3.18Å; I283-F287 PolarHBondContact O-N 3.12Å; I283-W407 HydrophobicContact CD1-CH2 3.77Å; I283-W407 HydrophobicContact CD1-CZ3 4.23Å; I283-W407 HydrophobicContact CG1-CH2 3.42Å; I283-W407 VanDerWaalsContact CG1-CH2 3.42Å; I283-W407 HydrophobicContact CG1-CZ2 4.46Å; I283-W407 HydrophobicContact CG1-CZ3 3.94Å
284T97.4Very high96.5Very high4 Ų424.2 Ų24.23%0.02513%0.132CC..Hα-helixtrans-67.7-42.2178.652.20000112.6Q226 L227 L280 G281 A282 L286 F287 A288 G311Q226-T284 HydrophobicContact CB-CG2 3.89Å; Q226-T284 VanDerWaalsContact OE1-CG2 3.24Å; Q226-T284 PolarHBondContact OE1-OG1 2.97Å; L227-T284 HydrophobicContact CB-CG2 3.53Å; L280-T284 VanDerWaalsContact O-CG2 3.27Å; L280-T284 WeakPolarHBondContact O-CG2 3.43Å; L280-T284 PolarHBondContact O-N 3.41Å; L280-T284 PolarHBondContact O-OG1 2.87Å; G281-T284 WeakPolarHBondContact CA-OG1 3.48Å; G281-T284 PolarHBondContact O-N 2.88Å; G281-T284 PolarHBondContact O-OG1 3.37Å; A282-T284 VanDerWaalsContact C-N 3.31Å; A282-T284 PolarHBondContact O-N 2.82Å; T284-L286 VanDerWaalsContact C-N 3.26Å; T284-L286 PolarHBondContact O-N 3.18Å; T284-F287 PolarHBondContact O-N 3.23Å; T284-A288 VanDerWaalsContact O-CB 3.27Å; T284-A288 WeakPolarHBondContact O-CB 3.47Å; T284-A288 PolarHBondContact O-N 2.97Å; T284-G311 WeakPolarHBondContact OG1-CA 3.45Å
285T97.1Very high96.7Very high2 Ų223.1 Ų23.11%0.01213%0.127CC..Hα-helixtrans-54.6-46.5177.663.30000111.8G281 A282 A289 S308 L312 A415G281-T285 WeakPolarHBondContact O-CG2 3.3Å; G281-T285 PolarHBondContact O-N 3.14Å; A282-T285 PolarHBondContact O-N 3.05Å; A282-T285 PolarHBondContact O-OG1 3.22Å; T285-A289 WeakPolarHBondContact O-CB 2.96Å; T285-A289 PolarHBondContact O-N 2.83Å; T285-A289 VanDerWaalsContact O-N 3.13Å; T285-S308 WeakPolarHBondContact CG2-O 3.49Å; T285-S308 PolarHBondContact O-OG 3.35Å; T285-S308 VanDerWaalsContact O-OG 3.08Å; T285-L312 HydrophobicContact CG2-CB 4.07Å; T285-A415 WeakPolarHBondContact OG1-CB 3.34Å
286L97.2Very high96.7Very high47 Ų4721.1 Ų21.125%0.24611%0.114CC..Hα-helixtrans-71.3-51.3-178.4-176.674.4000111.6A282 T284 A288 A289 V290 I411 I414 L418A282-L286 PolarHBondContact O-N 3.07Å; T284-L286 VanDerWaalsContact C-N 3.26Å; T284-L286 PolarHBondContact O-N 3.18Å; L286-A288 VanDerWaalsContact C-N 3.32Å; L286-A288 PolarHBondContact O-N 3.08Å; L286-A289 PolarHBondContact O-N 2.68Å; L286-V290 HydrophobicContact CD1-CG2 4.39Å; L286-V290 HydrophobicContact CG-CG2 4.39Å; L286-V290 WeakPolarHBondContact O-CG2 3.36Å; L286-V290 PolarHBondContact O-N 3.01Å; L286-I411 HydrophobicContact CB-CG2 3.51Å; L286-I411 HydrophobicContact CD1-CG2 4.35Å; L286-I411 HydrophobicContact CD2-CD1 4.46Å; L286-I411 HydrophobicContact CD2-CG1 4.45Å; L286-I411 HydrophobicContact CD2-CG2 3.91Å; L286-I411 HydrophobicContact CG-CG2 4.11Å; L286-I414 HydrophobicContact CD1-CB 4.29Å; L286-I414 HydrophobicContact CD1-CG2 3.75Å; L286-L418 HydrophobicContact CD1-CD1 4.35Å
287F97.3Very high96.7Very high34 Ų3419.9 Ų19.915%0.14911%0.108CC..Hα-helixtrans-58.5-46.6-176.8179.2-95.5000111.3L227 H230 I283 T284 V290 C291 F522L227-F287 HydrophobicContact CD1-CB 3.76Å; L227-F287 HydrophobicContact CD1-CD1 3.86Å; L227-F287 HydrophobicContact CD1-CD2 4.31Å; L227-F287 HydrophobicContact CD1-CG 3.69Å; H230-F287 AromaticContact CD2-CE1 3.59Å; H230-F287 AromaticContact CE1-CE1 3.76Å; H230-F287 AromaticContact NE2-CE1 3.22Å; H230-F287 WeakPolarHBondContact NE2-CE1 3.24Å; H230-F287 AromaticContact NE2-CZ 3.76Å; I283-F287 VanDerWaalsContact O-CB 3.27Å; I283-F287 WeakPolarHBondContact O-CB 3.18Å; I283-F287 PolarHBondContact O-N 3.12Å; T284-F287 PolarHBondContact O-N 3.23Å; F287-V290 PolarHBondContact O-N 3.44Å; F287-C291 PolarHBondContact O-N 3.27Å; F287-C291 VanDerWaalsContact O-N 3.07Å; F287-C291 PolarHBondContact O-SG 3.42Å; F287-F522 HydrophobicContact CE2-CZ 4.3Å
288A96.8Very high96.8Very high1 Ų119.8 Ų19.81%0.00811%0.107CC..Hα-helixtrans-64.9-41.9177.500000112T284 L286 C291 A292 F304T284-A288 VanDerWaalsContact O-CB 3.27Å; T284-A288 WeakPolarHBondContact O-CB 3.47Å; T284-A288 PolarHBondContact O-N 2.97Å; L286-A288 VanDerWaalsContact C-N 3.32Å; L286-A288 PolarHBondContact O-N 3.08Å; A288-C291 PolarHBondContact O-N 3.32Å; A288-A292 PolarHBondContact O-N 3.42Å; A288-F304 HydrophobicContact CB-CD1 4.27Å
289A97Very high96.8Very high0 Ų019.5 Ų19.50%011%0.105CC..Hα-helixtrans-65.8-39.617900000112.6T285 L286 A292 L293 L418 Y422T285-A289 WeakPolarHBondContact O-CB 2.96Å; T285-A289 PolarHBondContact O-N 2.83Å; T285-A289 VanDerWaalsContact O-N 3.13Å; L286-A289 PolarHBondContact O-N 2.68Å; A289-A292 PolarHBondContact O-N 3.02Å; A289-L293 PolarHBondContact O-N 2.84Å; A289-L418 HydrophobicContact CB-CB 3.73Å; A289-L418 HydrophobicContact CB-CD1 4.03Å; A289-Y422 HydrophobicContact CB-CE1 4.08Å
290V96.8Very high96.7Very high39 Ų3920.4 Ų20.424%0.23611%0.106CC..Hα-helixtrans-63.5-43.1174.7171.20000111L286 F287 L293 L418 S523L286-V290 HydrophobicContact CD1-CG2 4.39Å; L286-V290 HydrophobicContact CG-CG2 4.39Å; L286-V290 WeakPolarHBondContact O-CG2 3.36Å; L286-V290 PolarHBondContact O-N 3.01Å; F287-V290 PolarHBondContact O-N 3.44Å; V290-L293 PolarHBondContact O-N 3.02Å; V290-L418 HydrophobicContact CG2-CD1 3.7Å; V290-S523 WeakPolarHBondContact O-CB 3.11Å
291C96.5Very high96.7Very high0 Ų018.8 Ų18.80%010%0.097CC..Hα-helixtrans-62.1-42.9175.5-66.50000111.4F287 A288 L293 T294 Q295 F304 L526F287-C291 PolarHBondContact O-N 3.27Å; F287-C291 VanDerWaalsContact O-N 3.07Å; F287-C291 PolarHBondContact O-SG 3.42Å; A288-C291 PolarHBondContact O-N 3.32Å; C291-L293 PolarHBondContact O-N 3.2Å; C291-T294 PolarHBondContact O-N 2.82Å; C291-Q295 WeakPolarHBondContact O-CG 2.99Å; C291-F304 HydrophobicContact CB-CD1 4.01Å; C291-F304 HydrophobicContact CB-CD2 4.35Å; C291-F304 HydrophobicContact CB-CE1 3.98Å; C291-F304 HydrophobicContact CB-CE2 4.35Å; C291-F304 HydrophobicContact CB-CG 4.21Å; C291-F304 HydrophobicContact CB-CZ 4.19Å; C291-L526 HydrophobicContact CB-CD2 3.81Å
292A96.6Very high96.7Very high0 Ų019 Ų190%010%0.098CC..Hα-helixtrans-59.5-28.7-178.200000114.2A288 A289 T294 F304 Y422A288-A292 PolarHBondContact O-N 3.42Å; A289-A292 PolarHBondContact O-N 3.02Å; A292-T294 VanDerWaalsContact C-N 3.33Å; A292-T294 PolarHBondContact O-N 2.89Å; A292-F304 HydrophobicContact CB-CB 3.72Å; A292-Y422 HydrophobicContact CB-CD1 3.65Å; A292-Y422 HydrophobicContact CB-CE1 4.11Å; A292-Y422 HydrophobicContact CB-CG 3.88Å
293L95.1Very high96.6Very high46 Ų4619 Ų1924%0.24110%0.098CC..THydrogen-bonded Turntrans-63.6-33.7-175.7-72.1167.6000113.9A289 V290 C291 L418 A421 R425A289-L293 PolarHBondContact O-N 2.84Å; V290-L293 PolarHBondContact O-N 3.02Å; C291-L293 PolarHBondContact O-N 3.2Å; L293-L418 HydrophobicContact CD1-CD1 4.37Å; L293-L418 HydrophobicContact CD1-CD2 3.84Å; L293-A421 HydrophobicContact CD2-CB 3.98Å; L293-R425 WeakPolarHBondContact O-CD 3.32Å; L293-R425 PolarHBondContact O-NE 3.25Å; L293-R425 PolarHBondContact O-NH1 3.3Å
294T95.6Very high96.5Very high17 Ų1716.3 Ų16.310%0.1048%0.084CC..THydrogen-bonded Turntrans-110.8-10-171.654.70000113.9C291 A292 R425 F520 S523 N524C291-T294 PolarHBondContact O-N 2.82Å; A292-T294 VanDerWaalsContact C-N 3.33Å; A292-T294 PolarHBondContact O-N 2.89Å; T294-R425 PolarHBondContact O-NH2 2.69Å; T294-F520 HydrophobicContact CG2-CD2 3.68Å; T294-F520 HydrophobicContact CG2-CE2 3.79Å; T294-S523 WeakPolarHBondContact CG2-OG 3.04Å; T294-S523 VanDerWaalsContact OG1-C 3.25Å; T294-S523 WeakPolarHBondContact OG1-CB 3.5Å; T294-S523 PolarHBondContact OG1-OG 3.46Å; T294-N524 WeakPolarHBondContact OG1-CA 3.26Å; T294-N524 PolarHBondContact OG1-N 3.44Å
295Q96.4Very high96.5Very high15 Ų1516.2 Ų16.27%0.078%0.084CC..  trans-62.3149.9172.8-66.4-57.6-35.600111.6C291 I301 F304 R425 N524 L526C291-Q295 WeakPolarHBondContact O-CG 2.99Å; Q295-I301 HydrophobicContact CB-CG1 3.93Å; Q295-I301 WeakPolarHBondContact O-CD1 3.39Å; Q295-F304 HydrophobicContact CG-CD2 4.06Å; Q295-F304 HydrophobicContact CG-CE2 3.93Å; Q295-R425 PolarHBondContact O-NH2 3.25Å; Q295-R425 VanDerWaalsContact O-NH2 3.15Å; Q295-N524 PolarHBondContact NE2-O 3.31Å; Q295-L526 VanDerWaalsContact NE2-CD2 3.32Å
296N96.4Very high96.5Very high28 Ų2816.1 Ų16.115%0.158%0.083CC..  trans-113.7-23.8-178.2-62.5-42.9000113I298 D355 I356 R425N296-I298 PolarHBondContact O-N 2.72Å; N296-D355 WeakPolarHBondContact CB-OD1 3.25Å; N296-I356 HydrophobicContact CB-CG1 4.44Å; N296-I356 WeakPolarHBondContact O-CG1 3.33Å; N296-I356 WeakPolarHBondContact O-CG2 3.37Å; N296-I356 PolarHBondContact O-N 2.95Å; N296-R425 PolarHBondContact OD1-NH2 2.94Å; N296-R425 VanDerWaalsContact OD1-NH2 3.14Å
297D96.6Very high96.4Very high42 Ų4214.2 Ų14.223%0.2257%0.074CC..BIsolated β-bridgetrans-74.4120.6175.9-59.3-29.1000109.5K299 K300 I301D297-K299 PolarHBondContact O-N 2.66Å; D297-K300 HydrophobicContact CB-CB 4.03Å; D297-K300 HydrophobicContact CB-CD 4Å; D297-K300 HydrophobicContact CB-CG 3.92Å; D297-K300 PolarHBondContact O-N 2.9Å; D297-K300 VanDerWaalsContact OD2-CD 3.32Å; D297-K300 WeakPolarHBondContact OD2-CD 3.17Å; D297-K300 VanDerWaalsContact OD2-CE 3.25Å; D297-K300 WeakPolarHBondContact OD2-CE 3.36Å; D297-K300 IonicContact OD2-NZ 3.41Å; D297-K300 PolarHBondContact OD2-NZ 3.47Å; D297-I301 WeakPolarHBondContact O-CG1 3.23Å; D297-I301 PolarHBondContact O-N 3.29Å
298I96.5Very high96.4Very high1 Ų112.8 Ų12.81%0.0057%0.068CC..Hα-helixtrans-57.4-38.1-176.3-164.1170.7000111.8N296 I301 V302 I347 Q354 I356 M359 M426 T430N296-I298 PolarHBondContact O-N 2.72Å; I298-I301 PolarHBondContact O-N 3.21Å; I298-V302 WeakPolarHBondContact O-CG2 3.43Å; I298-V302 PolarHBondContact O-N 2.93Å; I298-V302 VanDerWaalsContact O-N 3.1Å; I298-I347 HydrophobicContact CG2-CD1 3.89Å; I298-I347 HydrophobicContact CG2-CG1 4.19Å; I298-Q354 PolarHBondContact N-O 2.92Å; I298-I356 HydrophobicContact CB-CG2 3.97Å; I298-I356 HydrophobicContact CG1-CG2 4.32Å; I298-M359 HydrophobicContact CD1-SD 4.37Å; I298-M359 HydrophobicContact CG2-CE 4.25Å; I298-M426 HydrophobicContact CG1-CG 4.41Å; I298-T430 HydrophobicContact CD1-CG2 3.97Å
299K96.4Very high96.4Very high3 Ų312.8 Ų12.81%0.0137%0.068CC..Hα-helixtrans-64.6-42.5176.8-67.5179.171.5-177.70112M237 G239 T241 D297 V302 A303 I347M237-K299 HydrophobicContact CB-CB 4.12Å; M237-K299 HydrophobicContact CG-CB 4.1Å; M237-K299 WeakPolarHBondContact O-CE 3.37Å; M237-K299 PolarHBondContact O-NZ 3.25Å; M237-K299 HydrophobicContact SD-CB 3.91Å; G239-K299 PolarHBondContact O-NZ 2.93Å; T241-K299 HydrophobicContact CG2-CD 3.96Å; D297-K299 PolarHBondContact O-N 2.66Å; K299-V302 PolarHBondContact O-N 2.97Å; K299-A303 VanDerWaalsContact O-CB 3.31Å; K299-A303 WeakPolarHBondContact O-CB 3.26Å; K299-A303 PolarHBondContact O-N 3.48Å; K299-I347 HydrophobicContact CD-CD1 3.92Å; K299-I347 HydrophobicContact CG-CD1 3.84Å
300K95.4Very high96.4Very high54 Ų5412.9 Ų12.924%0.2357%0.068CC..Hα-helixtrans-67.4-37.1178.3-67.7-177.5-175.8150.40111.8M237 D297 A303 F304M237-K300 HydrophobicContact CB-CG 4.48Å; M237-K300 HydrophobicContact CG-CG 4.33Å; D297-K300 HydrophobicContact CB-CB 4.03Å; D297-K300 HydrophobicContact CB-CD 4Å; D297-K300 HydrophobicContact CB-CG 3.92Å; D297-K300 PolarHBondContact O-N 2.9Å; D297-K300 VanDerWaalsContact OD2-CD 3.32Å; D297-K300 WeakPolarHBondContact OD2-CD 3.17Å; D297-K300 VanDerWaalsContact OD2-CE 3.25Å; D297-K300 WeakPolarHBondContact OD2-CE 3.36Å; D297-K300 IonicContact OD2-NZ 3.41Å; D297-K300 PolarHBondContact OD2-NZ 3.47Å; K300-A303 WeakPolarHBondContact O-CB 3.47Å; K300-A303 PolarHBondContact O-N 3.48Å; K300-F304 WeakPolarHBondContact O-CD2 3.42Å; K300-F304 PolarHBondContact O-N 3.38Å
301I97.3Very high96.4Very high4 Ų411 Ų112%0.0216%0.057CC..Hα-helixtrans-60.6-47.8173.9-62.8165.6000109.9Q295 D297 I298 A303 F304 S305 I356 Y422Q295-I301 HydrophobicContact CB-CG1 3.93Å; Q295-I301 WeakPolarHBondContact O-CD1 3.39Å; D297-I301 WeakPolarHBondContact O-CG1 3.23Å; D297-I301 PolarHBondContact O-N 3.29Å; I298-I301 PolarHBondContact O-N 3.21Å; I301-A303 VanDerWaalsContact C-N 3.32Å; I301-A303 PolarHBondContact O-N 2.98Å; I301-F304 PolarHBondContact O-N 3.06Å; I301-S305 WeakPolarHBondContact O-CB 3.15Å; I301-S305 PolarHBondContact O-N 3.15Å; I301-I356 HydrophobicContact CD1-CD1 3.81Å; I301-I356 HydrophobicContact CD1-CG2 4.27Å; I301-Y422 HydrophobicContact CG2-CD2 4.47Å
302V96.8Very high96.4Very high3 Ų311.4 Ų11.42%0.0186%0.059CC..Hα-helixtrans-64.5-37.8177.4-176.50000110.9I298 K299 S305 T306 L339 F340I298-V302 WeakPolarHBondContact O-CG2 3.43Å; I298-V302 PolarHBondContact O-N 2.93Å; I298-V302 VanDerWaalsContact O-N 3.1Å; K299-V302 PolarHBondContact O-N 2.97Å; V302-S305 WeakPolarHBondContact CA-OG 3.13Å; V302-S305 CarbonylContact O-C 3.6Å; V302-S305 WeakPolarHBondContact O-CB 3.45Å; V302-S305 PolarHBondContact O-N 3.48Å; V302-S305 PolarHBondContact O-OG 3.3Å; V302-T306 PolarHBondContact O-N 3.49Å; V302-L339 HydrophobicContact CG1-CB 4.17Å; V302-L339 HydrophobicContact CG2-CB 4.47Å; V302-F340 HydrophobicContact CB-CD1 4.43Å; V302-F340 HydrophobicContact CB-CE1 3.97Å; V302-F340 HydrophobicContact CB-CE2 4.42Å; V302-F340 HydrophobicContact CB-CZ 3.97Å; V302-F340 HydrophobicContact CG1-CD1 4.1Å; V302-F340 HydrophobicContact CG1-CD2 3.75Å; V302-F340 HydrophobicContact CG1-CE1 3.82Å; V302-F340 HydrophobicContact CG1-CE2 3.45Å; V302-F340 VanDerWaalsContact CG1-CE2 3.45Å; V302-F340 HydrophobicContact CG1-CG 4.06Å; V302-F340 HydrophobicContact CG1-CZ 3.49Å; V302-F340 VanDerWaalsContact CG1-CZ 3.49Å
303A95.6Very high96.5Very high0 Ų011.4 Ų11.40%06%0.059CC..Hα-helixtrans-61.9-46.5174.900000113.9L233 M237 K299 K300 I301 S305 T306 S307L233-A303 HydrophobicContact CD2-CB 3.57Å; L233-A303 WeakPolarHBondContact CD2-O 3.34Å; M237-A303 HydrophobicContact CE-CB 3.46Å; M237-A303 VanDerWaalsContact CE-CB 3.46Å; M237-A303 HydrophobicContact CG-CB 3.88Å; M237-A303 HydrophobicContact SD-CB 3.81Å; K299-A303 VanDerWaalsContact O-CB 3.31Å; K299-A303 WeakPolarHBondContact O-CB 3.26Å; K299-A303 PolarHBondContact O-N 3.48Å; K300-A303 WeakPolarHBondContact O-CB 3.47Å; K300-A303 PolarHBondContact O-N 3.48Å; I301-A303 VanDerWaalsContact C-N 3.32Å; I301-A303 PolarHBondContact O-N 2.98Å; A303-S305 VanDerWaalsContact C-N 3.26Å; A303-S305 PolarHBondContact O-N 2.95Å; A303-T306 PolarHBondContact O-N 3.39Å; A303-T306 VanDerWaalsContact O-N 3.12Å; A303-T306 PolarHBondContact O-OG1 2.99Å; A303-S307 PolarHBondContact O-N 2.89Å; A303-S307 VanDerWaalsContact O-N 3.08Å
304F96.8Very high96.5Very high3 Ų39.2 Ų9.21%0.0135%0.048CC..Hα-helixtrans-66.4-34.1174.5-77.3-62.8000111.7P234 A288 C291 A292 Q295 K300 I301 T306 S307 S308 L526P234-F304 HydrophobicContact CB-CE1 4.31Å; P234-F304 HydrophobicContact CB-CE2 4.03Å; P234-F304 HydrophobicContact CB-CZ 3.65Å; P234-F304 HydrophobicContact CG-CD1 4.16Å; P234-F304 HydrophobicContact CG-CE1 3.33Å; P234-F304 HydrophobicContact CG-CE2 3.92Å; P234-F304 HydrophobicContact CG-CZ 3.15Å; A288-F304 HydrophobicContact CB-CD1 4.27Å; C291-F304 HydrophobicContact CB-CD1 4.01Å; C291-F304 HydrophobicContact CB-CD2 4.35Å; C291-F304 HydrophobicContact CB-CE1 3.98Å; C291-F304 HydrophobicContact CB-CE2 4.35Å; C291-F304 HydrophobicContact CB-CG 4.21Å; C291-F304 HydrophobicContact CB-CZ 4.19Å; A292-F304 HydrophobicContact CB-CB 3.72Å; Q295-F304 HydrophobicContact CG-CD2 4.06Å; Q295-F304 HydrophobicContact CG-CE2 3.93Å; K300-F304 WeakPolarHBondContact O-CD2 3.42Å; K300-F304 PolarHBondContact O-N 3.38Å; I301-F304 PolarHBondContact O-N 3.06Å; F304-T306 PolarHBondContact O-N 3.16Å; F304-S307 PolarHBondContact O-N 3.2Å; F304-S308 WeakPolarHBondContact O-CB 3.3Å; F304-S308 PolarHBondContact O-N 3.33Å; F304-L526 HydrophobicContact CE1-CD2 4.01Å; F304-L526 HydrophobicContact CE2-CD2 3.54Å; F304-L526 HydrophobicContact CZ-CD1 3.82Å; F304-L526 HydrophobicContact CZ-CD2 3.15Å; F304-L526 HydrophobicContact CZ-CG 4.08Å
305S96.7Very high96.6Very high2 Ų28.7 Ų8.71%0.0144%0.044CC..Hα-helixtrans-65.7-26173.482.30000112.8I301 V302 A303 Q309 K336 Y422I301-S305 WeakPolarHBondContact O-CB 3.15Å; I301-S305 PolarHBondContact O-N 3.15Å; V302-S305 WeakPolarHBondContact CA-OG 3.13Å; V302-S305 CarbonylContact O-C 3.6Å; V302-S305 WeakPolarHBondContact O-CB 3.45Å; V302-S305 PolarHBondContact O-N 3.48Å; V302-S305 PolarHBondContact O-OG 3.3Å; A303-S305 VanDerWaalsContact C-N 3.26Å; A303-S305 PolarHBondContact O-N 2.95Å; S305-Q309 VanDerWaalsContact O-CG 3.25Å; S305-Q309 WeakPolarHBondContact O-CG 3.47Å; S305-Q309 PolarHBondContact O-N 3.22Å; S305-K336 VanDerWaalsContact CB-NZ 3.31Å; S305-K336 PolarHBondContact O-NZ 3.34Å; S305-K336 PolarHBondContact OG-NZ 3.07Å; S305-Y422 VanDerWaalsContact CB-CE2 3.43Å; S305-Y422 WeakPolarHBondContact CB-OH 3.43Å
306T96.5Very high96.6Very high0 Ų08 Ų80%04%0.041CC..Hα-helixtrans-76-45.4171.953.20000110.7H248 V302 A303 F304 S308 Q309 L310 K336 F340H248-T306 HydrophobicContact CB-CG2 4.32Å; H248-T306 VanDerWaalsContact O-CG2 3.3Å; H248-T306 WeakPolarHBondContact O-CG2 3.36Å; V302-T306 PolarHBondContact O-N 3.49Å; A303-T306 PolarHBondContact O-N 3.39Å; A303-T306 VanDerWaalsContact O-N 3.12Å; A303-T306 PolarHBondContact O-OG1 2.99Å; F304-T306 PolarHBondContact O-N 3.16Å; T306-S308 PolarHBondContact O-N 3.44Å; T306-Q309 PolarHBondContact O-N 3.45Å; T306-Q309 VanDerWaalsContact O-N 3.08Å; T306-L310 WeakPolarHBondContact O-CD1 3.39Å; T306-L310 WeakPolarHBondContact O-CG 3.15Å; T306-L310 PolarHBondContact O-N 3.47Å; T306-K336 HydrophobicContact CG2-CB 4.48Å; T306-K336 HydrophobicContact CG2-CD 3.7Å; T306-K336 HydrophobicContact CG2-CG 3.94Å; T306-F340 HydrophobicContact CG2-CE2 4.18Å
307S96.1Very high96.6Very high7 Ų77 Ų75%0.0494%0.036CC..Hα-helixtrans-56.5-40.5175.6175.40000111.7A303 F304 Q309 L310 G311A303-S307 PolarHBondContact O-N 2.89Å; A303-S307 VanDerWaalsContact O-N 3.08Å; F304-S307 PolarHBondContact O-N 3.2Å; S307-Q309 PolarHBondContact O-N 3.15Å; S307-L310 PolarHBondContact O-N 3.02Å; S307-G311 PolarHBondContact O-N 3.49Å
308S97Very high96.5Very high3 Ų35.3 Ų5.32%0.0213%0.028CC..Hα-helixtrans-63.4-41.2176-175.60000113.1T285 F304 T306 G311 L312T285-S308 WeakPolarHBondContact CG2-O 3.49Å; T285-S308 PolarHBondContact O-OG 3.35Å; T285-S308 VanDerWaalsContact O-OG 3.08Å; F304-S308 WeakPolarHBondContact O-CB 3.3Å; F304-S308 PolarHBondContact O-N 3.33Å; T306-S308 PolarHBondContact O-N 3.44Å; S308-G311 PolarHBondContact O-N 3.1Å; S308-L312 PolarHBondContact O-N 2.79Å; S308-L312 VanDerWaalsContact O-N 3.16Å
309Q97.2Very high96.3Very high2 Ų26 Ų61%0.0093%0.032CC..Hα-helixtrans-73.3-33177.7-63.8-64.2-1100112.4S305 T306 S307 G311 L312 M313 H328S305-Q309 VanDerWaalsContact O-CG 3.25Å; S305-Q309 WeakPolarHBondContact O-CG 3.47Å; S305-Q309 PolarHBondContact O-N 3.22Å; T306-Q309 PolarHBondContact O-N 3.45Å; T306-Q309 VanDerWaalsContact O-N 3.08Å; S307-Q309 PolarHBondContact O-N 3.15Å; Q309-G311 VanDerWaalsContact C-N 3.33Å; Q309-L312 WeakPolarHBondContact O-CA 3.42Å; Q309-L312 WeakPolarHBondContact O-CB 3.29Å; Q309-L312 PolarHBondContact O-N 3.06Å; Q309-L312 VanDerWaalsContact O-N 3.1Å; Q309-M313 WeakPolarHBondContact O-CG 3.4Å; Q309-M313 PolarHBondContact O-N 2.97Å; Q309-H328 PolarHBondContact OE1-NE2 2.93Å; Q309-H328 VanDerWaalsContact OE1-NE2 3.15Å
310L95.8Very high96.2Very high1 Ų17.8 Ų7.81%0.0054%0.042CC..Hα-helixtrans-68.1-34.5174-69.7155.1000112.1Q226 V253 V254 V257 T306 S307 L312 M313 M314Q226-L310 PolarHBondContact NE2-O 2.91Å; V253-L310 HydrophobicContact CB-CD1 3.79Å; V253-L310 HydrophobicContact CG1-CD1 3.09Å; V253-L310 HydrophobicContact CG1-CD2 4.34Å; V253-L310 HydrophobicContact CG1-CG 4.3Å; V254-L310 HydrophobicContact CG2-CD2 4.27Å; V257-L310 HydrophobicContact CG2-CD2 4.08Å; T306-L310 WeakPolarHBondContact O-CD1 3.39Å; T306-L310 WeakPolarHBondContact O-CG 3.15Å; T306-L310 PolarHBondContact O-N 3.47Å; S307-L310 PolarHBondContact O-N 3.02Å; L310-L312 VanDerWaalsContact C-N 3.3Å; L310-M313 HydrophobicContact CD2-SD 3.86Å; L310-M313 PolarHBondContact O-N 3.38Å; L310-M314 PolarHBondContact O-N 3.12Å
311G97.2Very high96.1Very high0 Ų07.3 Ų7.30%04%0.04CC..Hα-helixtrans-62.8-38.216800000111.8G281 T284 S307 S308 Q309 M314 V315G281-G311 WeakPolarHBondContact CA-O 3.47Å; T284-G311 WeakPolarHBondContact OG1-CA 3.45Å; S307-G311 PolarHBondContact O-N 3.49Å; S308-G311 PolarHBondContact O-N 3.1Å; Q309-G311 VanDerWaalsContact C-N 3.33Å; G311-M314 VanDerWaalsContact O-CB 3.31Å; G311-M314 WeakPolarHBondContact O-CB 3.42Å; G311-M314 PolarHBondContact O-N 2.96Å; G311-M314 VanDerWaalsContact O-N 3.11Å; G311-V315 WeakPolarHBondContact O-CG2 3.37Å; G311-V315 PolarHBondContact O-N 3.05Å
312L97.1Very high96Very high9 Ų97.3 Ų7.35%0.0474%0.04CC..Hα-helixtrans-65.8-40175.9-178131.8000110.9T285 S308 Q309 L310 M314 V315 T316 I395 T416T285-L312 HydrophobicContact CG2-CB 4.07Å; S308-L312 PolarHBondContact O-N 2.79Å; S308-L312 VanDerWaalsContact O-N 3.16Å; Q309-L312 WeakPolarHBondContact O-CA 3.42Å; Q309-L312 WeakPolarHBondContact O-CB 3.29Å; Q309-L312 PolarHBondContact O-N 3.06Å; Q309-L312 VanDerWaalsContact O-N 3.1Å; L310-L312 VanDerWaalsContact C-N 3.3Å; L312-M314 VanDerWaalsContact C-N 3.29Å; L312-M314 PolarHBondContact O-N 2.94Å; L312-V315 WeakPolarHBondContact O-CB 3.08Å; L312-V315 PolarHBondContact O-N 3.08Å; L312-T316 WeakPolarHBondContact O-CG2 3.07Å; L312-T316 PolarHBondContact O-N 3.23Å; L312-I395 HydrophobicContact CD1-CG2 4.42Å; L312-I395 HydrophobicContact CD2-CD1 3.7Å; L312-I395 HydrophobicContact CD2-CG2 3.91Å; L312-I395 HydrophobicContact CG-CG2 4.07Å; L312-T416 HydrophobicContact CD1-CG2 4.2Å
313M97.4Very high95.8Very high0 Ų09.7 Ų9.70%05%0.051CC..Hα-helixtrans-61.9-37.1171-60.9168.4-171.600111.9V257 Q309 L310 T316 I317 H328 I329 H332V257-M313 HydrophobicContact CG1-CB 3.76Å; V257-M313 HydrophobicContact CG2-CB 4.41Å; Q309-M313 WeakPolarHBondContact O-CG 3.4Å; Q309-M313 PolarHBondContact O-N 2.97Å; L310-M313 HydrophobicContact CD2-SD 3.86Å; L310-M313 PolarHBondContact O-N 3.38Å; M313-T316 VanDerWaalsContact C-OG1 3.26Å; M313-T316 VanDerWaalsContact CA-OG1 3.31Å; M313-T316 WeakPolarHBondContact CA-OG1 3.14Å; M313-T316 PolarHBondContact O-N 3.41Å; M313-T316 PolarHBondContact O-OG1 3.39Å; M313-I317 WeakPolarHBondContact O-CG1 3.31Å; M313-I317 PolarHBondContact O-N 3.39Å; M313-H328 WeakPolarHBondContact CE-CD2 3.37Å; M313-H328 HydrophobicContact CG-CB 4.4Å; M313-I329 HydrophobicContact CE-CG1 4Å; M313-I329 HydrophobicContact CG-CG1 4.49Å; M313-I329 HydrophobicContact SD-CD1 4.42Å; M313-I329 HydrophobicContact SD-CG1 3.47Å; M313-I329 WeakPolarHBondContact SD-CG1 3.36Å; M313-H332 HydrophobicContact CE-CB 3.68Å
314M96.8Very high95.7Very high0 Ų010.2 Ų10.20%05%0.054CC..Hα-helixtrans-66-40.6176-165.378.3-172.900112L217 L260 T277 L280 L310 G311 L312 T316 I317 G318L217-M314 HydrophobicContact CD1-CE 3.45Å; L217-M314 VanDerWaalsContact CD1-CE 3.45Å; L260-M314 HydrophobicContact CD1-CE 3.3Å; L260-M314 HydrophobicContact CD1-SD 3.56Å; L260-M314 VanDerWaalsContact CD1-SD 3.56Å; T277-M314 HydrophobicContact CG2-CE 3.62Å; T277-M314 WeakPolarHBondContact O-CG 3.2Å; L280-M314 HydrophobicContact CD2-CE 4.13Å; L280-M314 HydrophobicContact CD2-CG 4.17Å; L310-M314 PolarHBondContact O-N 3.12Å; G311-M314 VanDerWaalsContact O-CB 3.31Å; G311-M314 WeakPolarHBondContact O-CB 3.42Å; G311-M314 PolarHBondContact O-N 2.96Å; G311-M314 VanDerWaalsContact O-N 3.11Å; L312-M314 VanDerWaalsContact C-N 3.29Å; L312-M314 PolarHBondContact O-N 2.94Å; M314-T316 VanDerWaalsContact C-N 3.28Å; M314-T316 PolarHBondContact O-N 2.93Å; M314-I317 PolarHBondContact O-N 2.94Å; M314-G318 PolarHBondContact O-N 2.92Å
315V97.3Very high95.7Very high6 Ų610 Ų104%0.0365%0.053CC..Hα-helixtrans-59.8-40.9173.1172.20000110.7L278 A282 G311 L312 I317 G318 I319 T412L278-V315 HydrophobicContact CD1-CG1 3.92Å; A282-V315 HydrophobicContact CB-CG2 4.19Å; G311-V315 WeakPolarHBondContact O-CG2 3.37Å; G311-V315 PolarHBondContact O-N 3.05Å; L312-V315 WeakPolarHBondContact O-CB 3.08Å; L312-V315 PolarHBondContact O-N 3.08Å; V315-I317 VanDerWaalsContact C-N 3.3Å; V315-I317 PolarHBondContact O-N 2.84Å; V315-G318 CarbonylContact O-C 3.52Å; V315-G318 WeakPolarHBondContact O-CA 3.12Å; V315-G318 PolarHBondContact O-N 3.23Å; V315-I319 PolarHBondContact O-N 2.77Å; V315-T412 HydrophobicContact CB-CG2 4.39Å; V315-T412 HydrophobicContact CG1-CG2 4.03Å; V315-T412 HydrophobicContact CG2-CG2 3.75Å
316T96Very high95.6Very high0 Ų010 Ų100%05%0.053CC..Hα-helixtrans-64.9-33179.153.20000114L312 M313 M314 G318 I319 Q321 A325 I395L312-T316 WeakPolarHBondContact O-CG2 3.07Å; L312-T316 PolarHBondContact O-N 3.23Å; M313-T316 VanDerWaalsContact C-OG1 3.26Å; M313-T316 VanDerWaalsContact CA-OG1 3.31Å; M313-T316 WeakPolarHBondContact CA-OG1 3.14Å; M313-T316 PolarHBondContact O-N 3.41Å; M313-T316 PolarHBondContact O-OG1 3.39Å; M314-T316 VanDerWaalsContact C-N 3.28Å; M314-T316 PolarHBondContact O-N 2.93Å; T316-G318 VanDerWaalsContact C-N 3.35Å; T316-I319 WeakPolarHBondContact O-CG1 3.25Å; T316-Q321 CarbonylContact O-C 3.51Å; T316-Q321 PolarHBondContact O-N 3.1Å; T316-A325 WeakPolarHBondContact OG1-CA 3.29Å; T316-A325 WeakPolarHBondContact OG1-CB 3.49Å; T316-I395 HydrophobicContact CG2-CB 3.79Å; T316-I395 HydrophobicContact CG2-CD1 3.61Å; T316-I395 HydrophobicContact CG2-CG1 3.37Å; T316-I395 HydrophobicContact CG2-CG2 3.18Å
317I95.3Very high95.5Very high7 Ų710.4 Ų10.44%0.0366%0.055CC..Hα-helixtrans-70.1-38.4172.6-63.6171000109.7V257 L260 I261 M313 M314 V315 I319 N320 A325V257-I317 HydrophobicContact CG1-CD1 3.58Å; L260-I317 HydrophobicContact CB-CD1 3.85Å; L260-I317 HydrophobicContact CB-CG2 4.35Å; L260-I317 HydrophobicContact CD1-CD1 4.49Å; I261-I317 HydrophobicContact CD1-CD1 4.48Å; I261-I317 HydrophobicContact CG1-CD1 3.85Å; I261-I317 HydrophobicContact CG1-CG1 4.23Å; M313-I317 WeakPolarHBondContact O-CG1 3.31Å; M313-I317 PolarHBondContact O-N 3.39Å; M314-I317 PolarHBondContact O-N 2.94Å; V315-I317 VanDerWaalsContact C-N 3.3Å; V315-I317 PolarHBondContact O-N 2.84Å; I317-I319 VanDerWaalsContact C-N 3.3Å; I317-I319 PolarHBondContact O-N 3Å; I317-N320 PolarHBondContact O-N 3.45Å; I317-A325 HydrophobicContact CG1-CB 3.91Å
318G94.8Very high95.6Very high7 Ų710.1 Ų10.17%0.0725%0.053CC..Hα-helixtrans-65.6-25.4177.200000115.2Q274 T277 M314 V315 T316 N320Q274-G318 WeakPolarHBondContact CB-O 3.32Å; Q274-G318 WeakPolarHBondContact O-CA 3.39Å; T277-G318 WeakPolarHBondContact OG1-CA 3.32Å; M314-G318 PolarHBondContact O-N 2.92Å; V315-G318 CarbonylContact O-C 3.52Å; V315-G318 WeakPolarHBondContact O-CA 3.12Å; V315-G318 PolarHBondContact O-N 3.23Å; T316-G318 VanDerWaalsContact C-N 3.35Å; G318-N320 VanDerWaalsContact C-N 3.28Å
319I94Very high95.5Very high16 Ų1610 Ų108%0.0825%0.052CC..THydrogen-bonded Turntrans-89.812.9171.766.4178.8000113.3L278 V315 T316 I317 Q321 S398 A399 T404L278-I319 HydrophobicContact CD1-CG2 3.42Å; L278-I319 VanDerWaalsContact CD1-CG2 3.42Å; V315-I319 PolarHBondContact O-N 2.77Å; T316-I319 WeakPolarHBondContact O-CG1 3.25Å; I317-I319 VanDerWaalsContact C-N 3.3Å; I317-I319 PolarHBondContact O-N 3Å; I319-Q321 HydrophobicContact CD1-CB 4.44Å; I319-Q321 HydrophobicContact CD1-CG 4.35Å; I319-Q321 HydrophobicContact CG1-CB 4.15Å; I319-Q321 HydrophobicContact CG1-CG 4.15Å; I319-Q321 PolarHBondContact O-N 3.1Å; I319-S398 WeakPolarHBondContact CD1-OG 3.46Å; I319-A399 HydrophobicContact CD1-CB 4.2Å; I319-T404 HydrophobicContact CB-CG2 4.35Å; I319-T404 HydrophobicContact CG2-CG2 3.44Å; I319-T404 VanDerWaalsContact CG2-CG2 3.44Å
320N93.4Very high95.4Very high40 Ų4010 Ų1021%0.2145%0.052CC..THydrogen-bonded Turntrans63.935-179.9-15834.8000114.4H264 E268 I317 G318 P322H264-N320 PolarHBondContact NE2-OD1 2.94Å; E268-N320 PolarHBondContact OE1-ND2 3.08Å; I317-N320 PolarHBondContact O-N 3.45Å; G318-N320 VanDerWaalsContact C-N 3.28Å; N320-P322 VanDerWaalsContact C-CD 3.5Å; N320-P322 WeakPolarHBondContact O-CD 2.99Å
321Q93.8Very high95.4Very high44 Ų449.9 Ų9.921%0.2065%0.051CC..  trans-122.169.1177.4-66.2-64.6-31.600112.3T316 I319 H323 L324 A325 S476T316-Q321 CarbonylContact O-C 3.51Å; T316-Q321 PolarHBondContact O-N 3.1Å; I319-Q321 HydrophobicContact CD1-CB 4.44Å; I319-Q321 HydrophobicContact CD1-CG 4.35Å; I319-Q321 HydrophobicContact CG1-CB 4.15Å; I319-Q321 HydrophobicContact CG1-CG 4.15Å; I319-Q321 PolarHBondContact O-N 3.1Å; Q321-H323 PolarHBondContact O-N 2.88Å; Q321-L324 HydrophobicContact CB-CB 4.26Å; Q321-L324 HydrophobicContact CB-CD1 4.02Å; Q321-L324 HydrophobicContact CB-CG 4.38Å; Q321-L324 HydrophobicContact CG-CD1 4.28Å; Q321-L324 PolarHBondContact O-N 3.28Å; Q321-A325 PolarHBondContact O-N 3.16Å; Q321-S476 PolarHBondContact OE1-OG 3.38Å
322P93.7Very high95.4Very high4 Ų49.9 Ų9.93%0.0265%0.051CC..Hα-helixtrans-67.9-32.5-175.832.9-42.1000113.3I261 H264 N320 L324 A325 F326I261-P322 HydrophobicContact CG1-CB 4.4Å; I261-P322 HydrophobicContact CG2-CB 4.3Å; H264-P322 HydrophobicContact CB-CB 3.98Å; H264-P322 HydrophobicContact CB-CG 4.09Å; H264-P322 WeakPolarHBondContact CD2-CG 3.37Å; H264-P322 VanDerWaalsContact CG-CG 3.42Å; N320-P322 VanDerWaalsContact C-CD 3.5Å; N320-P322 WeakPolarHBondContact O-CD 2.99Å; P322-L324 VanDerWaalsContact C-N 3.34Å; P322-L324 PolarHBondContact O-N 2.84Å; P322-A325 VanDerWaalsContact O-CB 3.32Å; P322-A325 WeakPolarHBondContact O-CB 3.39Å; P322-A325 PolarHBondContact O-N 2.66Å; P322-F326 PolarHBondContact O-N 3.12Å
323H93.8Very high95.3Very high53 Ų539.5 Ų9.525%0.2455%0.05CC..Hα-helixtrans-66.7-37.3180-64.591.2000111.2Y84 Q321 F326 L327Y84-H323 AromaticContact CE1-CD2 3.97Å; Q321-H323 PolarHBondContact O-N 2.88Å; H323-F326 PolarHBondContact O-N 3.32Å; H323-L327 WeakPolarHBondContact O-CB 3.42Å; H323-L327 PolarHBondContact O-N 3.38Å
324L94.1Very high95.3Very high10 Ų1010.1 Ų10.15%0.0525%0.052CC..Hα-helixtrans-67.7-40.6172.3-71.5179.7000111.8Q321 P322 F326 L327 H328 H394 I395 F478Q321-L324 HydrophobicContact CB-CB 4.26Å; Q321-L324 HydrophobicContact CB-CD1 4.02Å; Q321-L324 HydrophobicContact CB-CG 4.38Å; Q321-L324 HydrophobicContact CG-CD1 4.28Å; Q321-L324 PolarHBondContact O-N 3.28Å; P322-L324 VanDerWaalsContact C-N 3.34Å; P322-L324 PolarHBondContact O-N 2.84Å; L324-F326 VanDerWaalsContact C-N 3.28Å; L324-F326 PolarHBondContact O-N 3.02Å; L324-L327 PolarHBondContact O-N 2.63Å; L324-H328 PolarHBondContact O-N 3.49Å; L324-H394 HydrophobicContact CD1-CB 4.46Å; L324-H394 HydrophobicContact CD2-CB 4.08Å; L324-I395 HydrophobicContact CB-CG1 4.25Å; L324-F478 HydrophobicContact CD2-CE1 4.2Å
325A95.8Very high95.2Very high0 Ų010.2 Ų10.20%05%0.052CC..Hα-helixtrans-56.7-45.5173.300000110.9I261 T316 I317 Q321 P322 H328 I329I261-A325 HydrophobicContact CD1-CB 3.96Å; I261-A325 HydrophobicContact CG1-CB 4.31Å; T316-A325 WeakPolarHBondContact OG1-CA 3.29Å; T316-A325 WeakPolarHBondContact OG1-CB 3.49Å; I317-A325 HydrophobicContact CG1-CB 3.91Å; Q321-A325 PolarHBondContact O-N 3.16Å; P322-A325 VanDerWaalsContact O-CB 3.32Å; P322-A325 WeakPolarHBondContact O-CB 3.39Å; P322-A325 PolarHBondContact O-N 2.66Å; A325-H328 WeakPolarHBondContact O-CB 3.28Å; A325-H328 PolarHBondContact O-N 3.41Å; A325-I329 WeakPolarHBondContact O-CG1 3.19Å; A325-I329 PolarHBondContact O-N 3.24Å
326F95.4Very high95.2Very high1 Ų19.9 Ų9.90%0.0045%0.051CC..Hα-helixtrans-67.3-40.6178.2-178.1-99.1000113.5Y84 F85 M88 F89 F258 I261 P322 H323 L324 H328 I329 C330Y84-F326 HydrophobicContact CD1-CD1 4.27Å; Y84-F326 HydrophobicContact CD1-CE1 4.38Å; Y84-F326 AromaticContact CE1-CD1 3.46Å; Y84-F326 HydrophobicContact CE1-CD1 3.46Å; Y84-F326 VanDerWaalsContact CE1-CD1 3.46Å; Y84-F326 AromaticContact CE1-CE1 3.81Å; Y84-F326 HydrophobicContact CE1-CE1 3.81Å; Y84-F326 HydrophobicContact CE1-CG 4.36Å; F85-F326 HydrophobicContact CB-CD2 4.42Å; F85-F326 HydrophobicContact CB-CE2 4.08Å; F85-F326 HydrophobicContact CB-CZ 4.36Å; F85-F326 HydrophobicContact CD1-CB 4.01Å; F85-F326 AromaticContact CD1-CD1 3.93Å; F85-F326 HydrophobicContact CD1-CD1 3.93Å; F85-F326 AromaticContact CD1-CD2 3.63Å; F85-F326 HydrophobicContact CD1-CD2 3.63Å; F85-F326 HydrophobicContact CD1-CE1 4.33Å; F85-F326 HydrophobicContact CD1-CE2 4.07Å; F85-F326 AromaticContact CD1-CG 3.56Å; F85-F326 HydrophobicContact CD1-CG 3.56Å; F85-F326 HydrophobicContact CD1-CZ 4.4Å; F85-F326 HydrophobicContact CE1-CB 3.98Å; F85-F326 HydrophobicContact CE1-CD1 4.46Å; F85-F326 HydrophobicContact CE1-CD2 4.43Å; F85-F326 HydrophobicContact CE1-CG 4.03Å; F85-F326 HydrophobicContact CG-CD2 4.46Å; F85-F326 WeakPolarHBondContact O-CE2 3.25Å; F85-F326 WeakPolarHBondContact O-CZ 3.45Å; M88-F326 HydrophobicContact CB-CE1 3.52Å; M88-F326 HydrophobicContact CB-CZ 3.72Å; M88-F326 HydrophobicContact CG-CE1 4.15Å; F89-F326 HydrophobicContact CB-CE2 4.04Å; F89-F326 HydrophobicContact CB-CZ 3.94Å; F89-F326 HydrophobicContact CD2-CE2 4.42Å; F258-F326 HydrophobicContact CD2-CD2 4.49Å; F258-F326 HydrophobicContact CD2-CE2 4.4Å; F258-F326 HydrophobicContact CE2-CE2 4.2Å; I261-F326 HydrophobicContact CD1-CB 4.12Å; P322-F326 PolarHBondContact O-N 3.12Å; H323-F326 PolarHBondContact O-N 3.32Å; L324-F326 VanDerWaalsContact C-N 3.28Å; L324-F326 PolarHBondContact O-N 3.02Å; F326-H328 VanDerWaalsContact C-N 3.26Å; F326-H328 PolarHBondContact O-N 3.43Å; F326-I329 WeakPolarHBondContact O-CB 3.41Å; F326-I329 PolarHBondContact O-N 3.24Å; F326-C330 VanDerWaalsContact CE1-SG 3.6Å; F326-C330 PolarHBondContact O-N 3.04Å; F326-C330 PolarHBondContact O-SG 3.45Å; F326-C330 VanDerWaalsContact O-SG 3.38Å
327L94.7Very high95.2Very high9 Ų99.9 Ų9.95%0.0475%0.051CC..Hα-helixtrans-58.1-42.8171.5-174.887.8000110.6H323 L324 C330 T331 Y390 I468 T469 I472H323-L327 WeakPolarHBondContact O-CB 3.42Å; H323-L327 PolarHBondContact O-N 3.38Å; L324-L327 PolarHBondContact O-N 2.63Å; L327-C330 PolarHBondContact O-N 3.26Å; L327-T331 WeakPolarHBondContact O-CG2 3.4Å; L327-T331 PolarHBondContact O-N 3.38Å; L327-T331 PolarHBondContact O-OG1 3.38Å; L327-T331 VanDerWaalsContact O-OG1 3.09Å; L327-Y390 VanDerWaalsContact CD2-O 3.25Å; L327-Y390 WeakPolarHBondContact CD2-O 3.39Å; L327-I468 HydrophobicContact CD1-CG2 3.61Å; L327-T469 HydrophobicContact CD1-CG2 3.81Å; L327-T469 HydrophobicContact CD2-CG2 3.84Å; L327-T469 HydrophobicContact CG-CG2 4.42Å; L327-I472 HydrophobicContact CD1-CD1 3.4Å; L327-I472 VanDerWaalsContact CD1-CD1 3.4Å
328H96.3Very high95.2Very high1 Ų19.6 Ų9.61%0.0055%0.049CC..Hα-helixtrans-64.7-40.3176.3-163.860.5000112Q309 M313 L324 A325 F326 C330 T331 H332 S391 I395Q309-H328 PolarHBondContact OE1-NE2 2.93Å; Q309-H328 VanDerWaalsContact OE1-NE2 3.15Å; M313-H328 WeakPolarHBondContact CE-CD2 3.37Å; M313-H328 HydrophobicContact CG-CB 4.4Å; L324-H328 PolarHBondContact O-N 3.49Å; A325-H328 WeakPolarHBondContact O-CB 3.28Å; A325-H328 PolarHBondContact O-N 3.41Å; F326-H328 VanDerWaalsContact C-N 3.26Å; F326-H328 PolarHBondContact O-N 3.43Å; H328-C330 VanDerWaalsContact C-N 3.32Å; H328-C330 PolarHBondContact O-N 3.42Å; H328-T331 WeakPolarHBondContact CA-OG1 3.19Å; H328-T331 PolarHBondContact O-N 2.88Å; H328-T331 PolarHBondContact O-OG1 2.91Å; H328-T331 VanDerWaalsContact O-OG1 3.11Å; H328-H332 WeakPolarHBondContact O-CA 3.42Å; H328-H332 WeakPolarHBondContact O-CB 3.32Å; H328-H332 PolarHBondContact O-N 3.08Å; H328-S391 PolarHBondContact ND1-OG 3.32Å; H328-I395 HydrophobicContact CB-CD1 3.77Å
329I96.3Very high95.4Very high0 Ų09.3 Ų9.30%05%0.046CC..Hα-helixtrans-54-49.3172.4-73.1166.9000111.1F89 V254 V257 I261 M313 A325 F326 H332 A333F89-I329 HydrophobicContact CD2-CG2 4.17Å; F89-I329 HydrophobicContact CE2-CG2 3.99Å; V254-I329 HydrophobicContact CB-CG2 4.47Å; V254-I329 HydrophobicContact CG1-CB 4.2Å; V254-I329 HydrophobicContact CG1-CD1 3.73Å; V254-I329 HydrophobicContact CG1-CG1 3.83Å; V254-I329 HydrophobicContact CG1-CG2 3.32Å; V254-I329 HydrophobicContact CG2-CG2 4.35Å; V257-I329 HydrophobicContact CB-CD1 4.37Å; V257-I329 HydrophobicContact CG1-CD1 3.92Å; I261-I329 HydrophobicContact CD1-CD1 3.52Å; M313-I329 HydrophobicContact CE-CG1 4Å; M313-I329 HydrophobicContact CG-CG1 4.49Å; M313-I329 HydrophobicContact SD-CD1 4.42Å; M313-I329 HydrophobicContact SD-CG1 3.47Å; M313-I329 WeakPolarHBondContact SD-CG1 3.36Å; A325-I329 WeakPolarHBondContact O-CG1 3.19Å; A325-I329 PolarHBondContact O-N 3.24Å; F326-I329 WeakPolarHBondContact O-CB 3.41Å; F326-I329 PolarHBondContact O-N 3.24Å; I329-H332 PolarHBondContact O-N 3.45Å; I329-A333 PolarHBondContact O-N 2.59Å; I329-A333 VanDerWaalsContact O-N 3.11Å
330C95.5Very high95.5Very high1 Ų18.5 Ų8.51%0.0074%0.042CC..Hα-helixtrans-64.6-45.7-177.6-65.50000111.8V92 F326 L327 H328 A333 F334 I468V92-C330 HydrophobicContact CG2-CB 4.32Å; F326-C330 VanDerWaalsContact CE1-SG 3.6Å; F326-C330 PolarHBondContact O-N 3.04Å; F326-C330 PolarHBondContact O-SG 3.45Å; F326-C330 VanDerWaalsContact O-SG 3.38Å; L327-C330 PolarHBondContact O-N 3.26Å; H328-C330 VanDerWaalsContact C-N 3.32Å; H328-C330 PolarHBondContact O-N 3.42Å; C330-A333 WeakPolarHBondContact O-CB 3.35Å; C330-F334 WeakPolarHBondContact O-CD2 3.05Å; C330-F334 WeakPolarHBondContact O-CE2 3.39Å; C330-I468 HydrophobicContact CB-CD1 4.29Å
331T95.4Very high95.6Very high0 Ų06.6 Ų6.60%03%0.032CC..Hα-helixtrans-69.1-38.7179.155.20000112.2L327 H328 A333 F334 F335 T387 S391L327-T331 WeakPolarHBondContact O-CG2 3.4Å; L327-T331 PolarHBondContact O-N 3.38Å; L327-T331 PolarHBondContact O-OG1 3.38Å; L327-T331 VanDerWaalsContact O-OG1 3.09Å; H328-T331 WeakPolarHBondContact CA-OG1 3.19Å; H328-T331 PolarHBondContact O-N 2.88Å; H328-T331 PolarHBondContact O-OG1 2.91Å; H328-T331 VanDerWaalsContact O-OG1 3.11Å; T331-A333 VanDerWaalsContact C-N 3.32Å; T331-A333 PolarHBondContact O-N 3.1Å; T331-F334 PolarHBondContact O-N 3.16Å; T331-F335 WeakPolarHBondContact O-CD1 3.31Å; T331-F335 VanDerWaalsContact O-CE1 3.27Å; T331-F335 WeakPolarHBondContact O-CE1 3.4Å; T331-T387 WeakPolarHBondContact CG2-O 3.29Å; T331-S391 PolarHBondContact OG1-OG 3.49Å; T331-S391 VanDerWaalsContact OG1-OG 3.09Å
332H96.3Very high95.8Very high0 Ų04.5 Ų4.50%02%0.022CC..Hα-helixtrans-58.3-40.6176.1176.5-92.5000113.3S249 M313 H328 I329 F334 F335 K336S249-H332 PolarHBondContact O-ND1 3.28Å; S249-H332 VanDerWaalsContact O-ND1 3.08Å; M313-H332 HydrophobicContact CE-CB 3.68Å; H328-H332 WeakPolarHBondContact O-CA 3.42Å; H328-H332 WeakPolarHBondContact O-CB 3.32Å; H328-H332 PolarHBondContact O-N 3.08Å; I329-H332 PolarHBondContact O-N 3.45Å; H332-F334 VanDerWaalsContact C-N 3.28Å; H332-F334 PolarHBondContact O-N 2.99Å; H332-F335 VanDerWaalsContact CA-CE1 3.41Å; H332-F335 VanDerWaalsContact CA-CZ 3.41Å; H332-F335 HydrophobicContact CB-CE1 4.36Å; H332-F335 HydrophobicContact CB-CE2 4.45Å; H332-F335 HydrophobicContact CB-CZ 3.95Å; H332-F335 AromaticContact CD2-CE2 3.89Å; H332-K336 VanDerWaalsContact CD2-CE 3.5Å; H332-K336 WeakPolarHBondContact CD2-CE 3.48Å; H332-K336 VanDerWaalsContact CE1-CG 3.44Å; H332-K336 WeakPolarHBondContact CE1-CG 3.36Å; H332-K336 WeakPolarHBondContact NE2-CE 3.48Å; H332-K336 VanDerWaalsContact NE2-CG 3.26Å; H332-K336 WeakPolarHBondContact NE2-CG 3.45Å; H332-K336 VanDerWaalsContact O-CB 3.32Å; H332-K336 WeakPolarHBondContact O-CB 3.22Å; H332-K336 WeakPolarHBondContact O-CG 3.46Å; H332-K336 PolarHBondContact O-N 2.9Å
333A96.3Very high95.9Very high1 Ų14.3 Ų4.31%0.0082%0.021CC..Hα-helixtrans-53.5-44.4178.700000112.3V92 V96 I329 C330 T331 A337V92-A333 HydrophobicContact CG1-CB 3.71Å; V96-A333 HydrophobicContact CG2-CB 4.2Å; I329-A333 PolarHBondContact O-N 2.59Å; I329-A333 VanDerWaalsContact O-N 3.11Å; C330-A333 WeakPolarHBondContact O-CB 3.35Å; T331-A333 VanDerWaalsContact C-N 3.32Å; T331-A333 PolarHBondContact O-N 3.1Å; A333-A337 WeakPolarHBondContact O-CB 3.19Å; A333-A337 PolarHBondContact O-N 3.34Å; A333-A337 VanDerWaalsContact O-N 3.16Å
334F96Very high96.1Very high13 Ų131.8 Ų1.86%0.0571%0.009CC..Hα-helixtrans-66.5-58.1-177.9-66.2-81.3000112.6V92 F95 C330 T331 H332 K336 A337 M338 L457 A464 I468V92-F334 HydrophobicContact CG1-CE2 3.99Å; V92-F334 HydrophobicContact CG1-CZ 4.19Å; V92-F334 HydrophobicContact CG2-CE2 4.11Å; V92-F334 HydrophobicContact CG2-CZ 4.14Å; F95-F334 AromaticContact CD1-CD1 3.99Å; F95-F334 HydrophobicContact CD1-CD1 3.99Å; F95-F334 AromaticContact CD1-CE1 3.43Å; F95-F334 HydrophobicContact CD1-CE1 3.43Å; F95-F334 VanDerWaalsContact CD1-CE1 3.43Å; F95-F334 HydrophobicContact CD1-CZ 4.48Å; F95-F334 AromaticContact CE1-CD1 3.99Å; F95-F334 HydrophobicContact CE1-CD1 3.99Å; F95-F334 AromaticContact CE1-CE1 3.68Å; F95-F334 HydrophobicContact CE1-CE1 3.68Å; F95-F334 HydrophobicContact CG-CE1 4.29Å; C330-F334 WeakPolarHBondContact O-CD2 3.05Å; C330-F334 WeakPolarHBondContact O-CE2 3.39Å; T331-F334 PolarHBondContact O-N 3.16Å; H332-F334 VanDerWaalsContact C-N 3.28Å; H332-F334 PolarHBondContact O-N 2.99Å; F334-K336 PolarHBondContact O-N 3.3Å; F334-A337 PolarHBondContact O-N 3.32Å; F334-M338 WeakPolarHBondContact O-CB 3.32Å; F334-M338 PolarHBondContact O-N 2.95Å; F334-L457 HydrophobicContact CD1-CD2 4.04Å; F334-A464 HydrophobicContact CD2-CB 3.94Å; F334-A464 HydrophobicContact CE1-CB 4.21Å; F334-A464 HydrophobicContact CE2-CB 3.59Å; F334-A464 HydrophobicContact CG-CB 4.42Å; F334-A464 HydrophobicContact CZ-CB 3.74Å; F334-I468 HydrophobicContact CE2-CD1 4.36Å
335F95.6Very high96.2Very high1 Ų11.3 Ų1.30%0.0041%0.007CC..Hα-helixtrans-71.8-30.7-173.259.4-106.3000112.6T331 H332 L339 A379 L380T331-F335 WeakPolarHBondContact O-CD1 3.31Å; T331-F335 VanDerWaalsContact O-CE1 3.27Å; T331-F335 WeakPolarHBondContact O-CE1 3.4Å; H332-F335 VanDerWaalsContact CA-CE1 3.41Å; H332-F335 VanDerWaalsContact CA-CZ 3.41Å; H332-F335 HydrophobicContact CB-CE1 4.36Å; H332-F335 HydrophobicContact CB-CE2 4.45Å; H332-F335 HydrophobicContact CB-CZ 3.95Å; H332-F335 AromaticContact CD2-CE2 3.89Å; F335-L339 VanDerWaalsContact O-CG 3.28Å; F335-L339 WeakPolarHBondContact O-CG 3.47Å; F335-L339 PolarHBondContact O-N 3.17Å; F335-A379 HydrophobicContact CB-CB 3.98Å; F335-A379 HydrophobicContact CD1-CB 4.25Å; F335-A379 HydrophobicContact CG-CB 4.26Å; F335-L380 HydrophobicContact CD2-CB 4.12Å; F335-L380 HydrophobicContact CE2-CB 4.12Å; F335-L380 HydrophobicContact CE2-CG 4.32Å
336K96.6Very high96.2Very high0 Ų01.4 Ų1.40%01%0.007CC..Hα-helixtrans-71.6-43.8174.8-69.6-58.1-164.8-175.50113.1S305 T306 H332 F334 M338 L339 F340 L380S305-K336 VanDerWaalsContact CB-NZ 3.31Å; S305-K336 PolarHBondContact O-NZ 3.34Å; S305-K336 PolarHBondContact OG-NZ 3.07Å; T306-K336 HydrophobicContact CG2-CB 4.48Å; T306-K336 HydrophobicContact CG2-CD 3.7Å; T306-K336 HydrophobicContact CG2-CG 3.94Å; H332-K336 VanDerWaalsContact CD2-CE 3.5Å; H332-K336 WeakPolarHBondContact CD2-CE 3.48Å; H332-K336 VanDerWaalsContact CE1-CG 3.44Å; H332-K336 WeakPolarHBondContact CE1-CG 3.36Å; H332-K336 WeakPolarHBondContact NE2-CE 3.48Å; H332-K336 VanDerWaalsContact NE2-CG 3.26Å; H332-K336 WeakPolarHBondContact NE2-CG 3.45Å; H332-K336 VanDerWaalsContact O-CB 3.32Å; H332-K336 WeakPolarHBondContact O-CB 3.22Å; H332-K336 WeakPolarHBondContact O-CG 3.46Å; H332-K336 PolarHBondContact O-N 2.9Å; F334-K336 PolarHBondContact O-N 3.3Å; K336-M338 PolarHBondContact O-N 3.43Å; K336-L339 HydrophobicContact CD-CD1 4.33Å; K336-L339 PolarHBondContact O-N 3.44Å; K336-F340 WeakPolarHBondContact O-CD2 3.49Å; K336-F340 PolarHBondContact O-N 2.55Å; K336-L380 HydrophobicContact CD-CD1 4.38Å
337A96.4Very high96.3Very high0 Ų01.4 Ų1.40%01%0.007CC..Hα-helixtrans-58.9-40.9175.400000110.2V96 A333 F334 F340 M341 L457V96-A337 HydrophobicContact CG1-CB 3.64Å; A333-A337 WeakPolarHBondContact O-CB 3.19Å; A333-A337 PolarHBondContact O-N 3.34Å; A333-A337 VanDerWaalsContact O-N 3.16Å; F334-A337 PolarHBondContact O-N 3.32Å; A337-F340 PolarHBondContact O-N 2.82Å; A337-M341 WeakPolarHBondContact O-CG 3.33Å; A337-M341 PolarHBondContact O-N 3.47Å; A337-L457 HydrophobicContact CB-CD1 3.66Å; A337-L457 HydrophobicContact CB-CD2 4.43Å
338M96.4Very high96.3Very high0 Ų04 Ų40%02%0.019CC..Hα-helixtrans-59.9-48.7173.8-170.8172.559.300112.6F334 K336 F340 M341 C342 S372 I375 L457 A458 S461F334-M338 WeakPolarHBondContact O-CB 3.32Å; F334-M338 PolarHBondContact O-N 2.95Å; K336-M338 PolarHBondContact O-N 3.43Å; M338-F340 VanDerWaalsContact C-N 3.33Å; M338-F340 PolarHBondContact O-N 2.87Å; M338-M341 PolarHBondContact O-N 3.18Å; M338-C342 WeakPolarHBondContact O-CB 3.39Å; M338-C342 PolarHBondContact O-N 3.44Å; M338-C342 PolarHBondContact O-SG 3.41Å; M338-S372 VanDerWaalsContact CE-O 3.23Å; M338-S372 WeakPolarHBondContact CE-O 3.38Å; M338-I375 HydrophobicContact CE-CB 4.4Å; M338-I375 HydrophobicContact CE-CG2 4.25Å; M338-L457 HydrophobicContact CB-CB 4.08Å; M338-L457 HydrophobicContact CG-CB 4.44Å; M338-A458 WeakPolarHBondContact SD-CA 3.44Å; M338-A458 HydrophobicContact SD-CB 3.76Å; M338-S461 WeakPolarHBondContact CE-OG 3.48Å
339L97.1Very high96.2Very high1 Ų14.3 Ų4.31%0.0052%0.02CC..Hα-helixtrans-60.2-39.1178.5-72.6173.7000112.6V302 F335 K336 S343 L373 L380 M426V302-L339 HydrophobicContact CG1-CB 4.17Å; V302-L339 HydrophobicContact CG2-CB 4.47Å; F335-L339 VanDerWaalsContact O-CG 3.28Å; F335-L339 WeakPolarHBondContact O-CG 3.47Å; F335-L339 PolarHBondContact O-N 3.17Å; K336-L339 HydrophobicContact CD-CD1 4.33Å; K336-L339 PolarHBondContact O-N 3.44Å; L339-S343 WeakPolarHBondContact O-CB 3.41Å; L339-S343 PolarHBondContact O-N 2.88Å; L339-S343 PolarHBondContact O-OG 2.81Å; L339-L373 HydrophobicContact CD2-CD1 3.71Å; L339-L373 HydrophobicContact CD2-CG 4.41Å; L339-L380 HydrophobicContact CD1-CD1 3.62Å; L339-M426 HydrophobicContact CD2-CE 4.1Å
340F97.4Very high96.1Very high0 Ų04.4 Ų4.40%02%0.021CC..Hα-helixtrans-70.6-36.4175.9-82.8-69000113.3M237 A245 H248 V302 T306 K336 A337 M338 S343 G344M237-F340 HydrophobicContact CE-CE1 4.43Å; M237-F340 HydrophobicContact CE-CZ 4.3Å; M237-F340 HydrophobicContact SD-CE1 3.8Å; M237-F340 HydrophobicContact SD-CZ 4.22Å; A245-F340 HydrophobicContact CB-CB 3.53Å; A245-F340 HydrophobicContact CB-CG 4.32Å; H248-F340 HydrophobicContact CB-CE2 3.75Å; H248-F340 HydrophobicContact CB-CZ 3.97Å; V302-F340 HydrophobicContact CB-CD1 4.43Å; V302-F340 HydrophobicContact CB-CE1 3.97Å; V302-F340 HydrophobicContact CB-CE2 4.42Å; V302-F340 HydrophobicContact CB-CZ 3.97Å; V302-F340 HydrophobicContact CG1-CD1 4.1Å; V302-F340 HydrophobicContact CG1-CD2 3.75Å; V302-F340 HydrophobicContact CG1-CE1 3.82Å; V302-F340 HydrophobicContact CG1-CE2 3.45Å; V302-F340 VanDerWaalsContact CG1-CE2 3.45Å; V302-F340 HydrophobicContact CG1-CG 4.06Å; V302-F340 HydrophobicContact CG1-CZ 3.49Å; V302-F340 VanDerWaalsContact CG1-CZ 3.49Å; T306-F340 HydrophobicContact CG2-CE2 4.18Å; K336-F340 WeakPolarHBondContact O-CD2 3.49Å; K336-F340 PolarHBondContact O-N 2.55Å; A337-F340 PolarHBondContact O-N 2.82Å; M338-F340 VanDerWaalsContact C-N 3.33Å; M338-F340 PolarHBondContact O-N 2.87Å; F340-S343 WeakPolarHBondContact CA-OG 3.27Å; F340-S343 PolarHBondContact O-OG 2.85Å; F340-G344 PolarHBondContact O-N 3.03Å
341M96.1Very high96Very high0 Ų09.4 Ų9.40%05%0.047CC..Hα-helixtrans-71.1-38.7175.2-68.4-170.9-35.800111.9F103 A337 M338 G344 S345 P453 I454 L457F103-M341 HydrophobicContact CB-CG 4.48Å; F103-M341 HydrophobicContact CB-SD 3.92Å; F103-M341 HydrophobicContact CD1-CG 4.27Å; F103-M341 HydrophobicContact CD2-CB 4.3Å; F103-M341 HydrophobicContact CD2-CG 4.34Å; F103-M341 HydrophobicContact CD2-SD 4.49Å; F103-M341 HydrophobicContact CE2-CB 4.33Å; F103-M341 HydrophobicContact CG-CG 4.11Å; F103-M341 HydrophobicContact CG-SD 4.16Å; A337-M341 WeakPolarHBondContact O-CG 3.33Å; A337-M341 PolarHBondContact O-N 3.47Å; M338-M341 PolarHBondContact O-N 3.18Å; M341-G344 PolarHBondContact O-N 3.13Å; M341-S345 PolarHBondContact O-N 3.08Å; M341-S345 PolarHBondContact O-OG 2.99Å; M341-P453 HydrophobicContact CE-CB 4.15Å; M341-P453 HydrophobicContact SD-CB 4.15Å; M341-I454 HydrophobicContact CB-CG1 4.39Å; M341-I454 HydrophobicContact CE-CB 4.5Å; M341-I454 HydrophobicContact CE-CG1 3.88Å; M341-L457 HydrophobicContact CE-CB 4.26Å; M341-L457 HydrophobicContact CE-CD1 3.17Å; M341-L457 HydrophobicContact CE-CG 4.09Å; M341-L457 HydrophobicContact SD-CD1 3.85Å
342C97.1Very high95.9Very high0 Ų014.4 Ų14.40%07%0.074CC..Hα-helixtrans-65.2-39.6174.3-61.60000111.3M338 S345 I346 S372 L373M338-C342 WeakPolarHBondContact O-CB 3.39Å; M338-C342 PolarHBondContact O-N 3.44Å; M338-C342 PolarHBondContact O-SG 3.41Å; C342-S345 PolarHBondContact O-N 2.86Å; C342-S345 PolarHBondContact O-OG 3.31Å; C342-I346 WeakPolarHBondContact O-CD1 3.36Å; C342-I346 VanDerWaalsContact O-CG1 3.23Å; C342-I346 WeakPolarHBondContact O-CG1 3.48Å; C342-I346 PolarHBondContact O-N 2.8Å; C342-I346 VanDerWaalsContact O-N 3.14Å; C342-S372 PolarHBondContact SG-OG 3.29Å; C342-L373 HydrophobicContact CB-CB 4.2Å; C342-L373 HydrophobicContact CB-CD1 3.73Å
343S96.6Very high95.8Very high0 Ų017 Ų170%09%0.087CC..Hα-helixtrans-67.1-40.1173.467.20000111.3L339 F340 S345 I346 I347L339-S343 WeakPolarHBondContact O-CB 3.41Å; L339-S343 PolarHBondContact O-N 2.88Å; L339-S343 PolarHBondContact O-OG 2.81Å; F340-S343 WeakPolarHBondContact CA-OG 3.27Å; F340-S343 PolarHBondContact O-OG 2.85Å; S343-S345 PolarHBondContact O-N 3.38Å; S343-I346 PolarHBondContact O-N 3.03Å; S343-I347 WeakPolarHBondContact O-CB 3.43Å; S343-I347 WeakPolarHBondContact O-CD1 3.32Å; S343-I347 WeakPolarHBondContact O-CG1 3.48Å; S343-I347 PolarHBondContact O-N 3.4Å
344G96.2Very high95.7Very high0 Ų019.8 Ų19.80%010%0.099CC..Hα-helixtrans-60.9-39.217500000113.9F340 M341 I347 H348F340-G344 PolarHBondContact O-N 3.03Å; M341-G344 PolarHBondContact O-N 3.13Å; G344-I347 PolarHBondContact O-N 3.22Å; G344-H348 WeakPolarHBondContact O-CB 3.16Å; G344-H348 PolarHBondContact O-N 3.27Å
345S96.7Very high95.8Very high0 Ų020.1 Ų20.10%010%0.102CC..Hα-helixtrans-67.4-40.2175.365.60000112.5M341 C342 S343 N349 T369M341-S345 PolarHBondContact O-N 3.08Å; M341-S345 PolarHBondContact O-OG 2.99Å; C342-S345 PolarHBondContact O-N 2.86Å; C342-S345 PolarHBondContact O-OG 3.31Å; S343-S345 PolarHBondContact O-N 3.38Å; S345-N349 VanDerWaalsContact O-CB 3.32Å; S345-N349 WeakPolarHBondContact O-CB 3.21Å; S345-N349 PolarHBondContact O-N 2.88Å; S345-T369 WeakPolarHBondContact OG-CG2 3.35Å
346I96.8Very high95.8Very high2 Ų220 Ų201%0.0110%0.101CC..Hα-helixtrans-63.7-47175.3-67.1166.2000110C342 S343 H348 N349 L350 M359 L362 L373C342-I346 WeakPolarHBondContact O-CD1 3.36Å; C342-I346 VanDerWaalsContact O-CG1 3.23Å; C342-I346 WeakPolarHBondContact O-CG1 3.48Å; C342-I346 PolarHBondContact O-N 2.8Å; C342-I346 VanDerWaalsContact O-N 3.14Å; S343-I346 PolarHBondContact O-N 3.03Å; I346-H348 PolarHBondContact O-N 3.06Å; I346-N349 PolarHBondContact O-N 3.04Å; I346-L350 HydrophobicContact CG2-CD1 3.75Å; I346-L350 HydrophobicContact CG2-CG 4.47Å; I346-L350 WeakPolarHBondContact O-CB 3.21Å; I346-L350 WeakPolarHBondContact O-CG 3.32Å; I346-L350 PolarHBondContact O-N 3.49Å; I346-M359 HydrophobicContact CG2-CE 3.9Å; I346-M359 HydrophobicContact CG2-SD 3.73Å; I346-L362 HydrophobicContact CD1-CD1 4.23Å; I346-L362 HydrophobicContact CG1-CD1 4.11Å; I346-L362 HydrophobicContact CG2-CD1 3.63Å; I346-L373 HydrophobicContact CD1-CD2 4.29Å
347I96.1Very high95.8Very high0 Ų026.9 Ų26.90%013%0.127CC..Hα-helixtrans-60.2-48.4-179.6-68.9162.5000110.9T241 I298 K299 S343 G344 L350 N351 N352 Q354T241-I347 HydrophobicContact CG2-CD1 4.04Å; I298-I347 HydrophobicContact CG2-CD1 3.89Å; I298-I347 HydrophobicContact CG2-CG1 4.19Å; K299-I347 HydrophobicContact CD-CD1 3.92Å; K299-I347 HydrophobicContact CG-CD1 3.84Å; S343-I347 WeakPolarHBondContact O-CB 3.43Å; S343-I347 WeakPolarHBondContact O-CD1 3.32Å; S343-I347 WeakPolarHBondContact O-CG1 3.48Å; S343-I347 PolarHBondContact O-N 3.4Å; G344-I347 PolarHBondContact O-N 3.22Å; I347-L350 CarbonylContact O-C 3.58Å; I347-L350 PolarHBondContact O-N 3.45Å; I347-N351 PolarHBondContact O-N 3.32Å; I347-N352 WeakPolarHBondContact O-CA 3.34Å; I347-N352 PolarHBondContact O-N 2.87Å; I347-Q354 HydrophobicContact CD1-CG 4.03Å; I347-Q354 HydrophobicContact CG1-CG 4.08Å; I347-Q354 HydrophobicContact CG2-CG 4.05Å
348H94.9Very high95.7Very high64 Ų6431 Ų3130%0.29615%0.145SC..Hα-helixtrans-68.7-37.8-177.3-173.2-81.1000112W106 Y107 G344 I346 L350 N351W106-H348 HydrophobicContact CH2-CB 3.6Å; W106-H348 AromaticContact CH2-CG 3.7Å; W106-H348 AromaticContact CH2-ND1 3.54Å; W106-H348 HydrophobicContact CZ2-CB 4.43Å; W106-H348 AromaticContact CZ2-ND1 3.47Å; W106-H348 WeakPolarHBondContact CZ2-ND1 3.33Å; W106-H348 HydrophobicContact CZ3-CB 3.95Å; Y107-H348 HydrophobicContact CD2-CB 4.17Å; Y107-H348 HydrophobicContact CE2-CB 4.03Å; G344-H348 WeakPolarHBondContact O-CB 3.16Å; G344-H348 PolarHBondContact O-N 3.27Å; I346-H348 PolarHBondContact O-N 3.06Å; H348-L350 VanDerWaalsContact C-N 3.29Å; H348-L350 PolarHBondContact O-N 3.47Å; H348-N351 PolarHBondContact O-N 3.39Å
349N94.6Very high95.7Very high7 Ų731 Ų314%0.03715%0.145CC..Hα-helixtrans-73.7-18.7176.6-75.6-9.3000113.9S345 I346 M366 I443 N444S345-N349 VanDerWaalsContact O-CB 3.32Å; S345-N349 WeakPolarHBondContact O-CB 3.21Å; S345-N349 PolarHBondContact O-N 2.88Å; I346-N349 PolarHBondContact O-N 3.04Å; N349-M366 HydrophobicContact CB-CE 4.34Å; N349-M366 HydrophobicContact CB-SD 3.94Å; N349-M366 WeakPolarHBondContact ND2-CE 3.17Å; N349-M366 PolarHBondContact ND2-SD 3.2Å; N349-M366 VanDerWaalsContact ND2-SD 3.44Å; N349-I443 HydrophobicContact CB-CG2 4.44Å; N349-N444 PolarHBondContact ND2-O 3.37Å; N349-N444 PolarHBondContact OD1-O 2.83Å
350L94.7Very high95.5Very high2 Ų231 Ų311%0.0115%0.145CC..THydrogen-bonded Turntrans-102.128.8174-63.3178.6000112.5I346 I347 H348 N352 E353 M359 L362 F437 T441 I443I346-L350 HydrophobicContact CG2-CD1 3.75Å; I346-L350 HydrophobicContact CG2-CG 4.47Å; I346-L350 WeakPolarHBondContact O-CB 3.21Å; I346-L350 WeakPolarHBondContact O-CG 3.32Å; I346-L350 PolarHBondContact O-N 3.49Å; I347-L350 CarbonylContact O-C 3.58Å; I347-L350 PolarHBondContact O-N 3.45Å; H348-L350 VanDerWaalsContact C-N 3.29Å; H348-L350 PolarHBondContact O-N 3.47Å; L350-N352 PolarHBondContact O-N 3.25Å; L350-E353 HydrophobicContact CB-CB 4.26Å; L350-E353 WeakPolarHBondContact O-CB 3.44Å; L350-E353 WeakPolarHBondContact O-CG 3.24Å; L350-E353 PolarHBondContact O-N 3.42Å; L350-M359 HydrophobicContact CD1-CG 3.84Å; L350-L362 HydrophobicContact CD1-CD1 4.4Å; L350-F437 HydrophobicContact CD2-CB 3.8Å; L350-F437 HydrophobicContact CD2-CD1 3.97Å; L350-F437 HydrophobicContact CD2-CD2 4.23Å; L350-F437 HydrophobicContact CD2-CG 3.76Å; L350-T441 HydrophobicContact CD2-CG2 4.13Å; L350-I443 HydrophobicContact CD2-CD1 4.47Å
351N93Very high95.4Very high106 Ų10631.9 Ų31.957%0.56715%0.154SC*.THydrogen-bonded Turntrans54.648.3176.2-61.8-24.6000114I347 H348 E353I347-N351 PolarHBondContact O-N 3.32Å; H348-N351 PolarHBondContact O-N 3.39Å; N351-E353 VanDerWaalsContact C-N 3.31Å; N351-E353 PolarHBondContact O-N 3.36Å
352N92.9Very high95.3Very high106 Ų10631.9 Ų31.957%0.56715%0.154SC*.THydrogen-bonded Turntrans68.915.3180-59.7-46.3000116I347 L350 Q354I347-N352 WeakPolarHBondContact O-CA 3.34Å; I347-N352 PolarHBondContact O-N 2.87Å; L350-N352 PolarHBondContact O-N 3.25Å; N352-Q354 PolarHBondContact O-N 3.06Å
353E94.3Very high95.3Very high55 Ų5536.3 Ų36.326%0.25718%0.177SC..  trans-74.1121171.5-71.6-75.7-168.600111.2L350 N351 K358L350-E353 HydrophobicContact CB-CB 4.26Å; L350-E353 WeakPolarHBondContact O-CB 3.44Å; L350-E353 WeakPolarHBondContact O-CG 3.24Å; L350-E353 PolarHBondContact O-N 3.42Å; N351-E353 VanDerWaalsContact C-N 3.31Å; N351-E353 PolarHBondContact O-N 3.36Å; E353-K358 IonicContact OE1-NZ 3.26Å; E353-K358 PolarHBondContact OE1-NZ 3.02Å; E353-K358 WeakPolarHBondContact OE2-CD 3.39Å; E353-K358 IonicContact OE2-NZ 3.6Å; E353-K358 PolarHBondContact OE2-NZ 3.5Å
354Q95.6Very high95Very high59 Ų5945.5 Ų45.528%0.27622%0.217SC..  trans-104.9-13.3-177.1-56.8-172.59.200114I298 I347 N352I298-Q354 PolarHBondContact N-O 2.92Å; I347-Q354 HydrophobicContact CD1-CG 4.03Å; I347-Q354 HydrophobicContact CG1-CG 4.08Å; I347-Q354 HydrophobicContact CG2-CG 4.05Å; N352-Q354 PolarHBondContact O-N 3.06Å
355D96.9Very high94.8Very high19 Ų1948.5 Ų48.510%0.10224%0.235CC..BIsolated β-bridgetrans-82120.3-174.3-173-16.2000111.3N296 R357 K358N296-D355 WeakPolarHBondContact CB-OD1 3.25Å; D355-R357 PolarHBondContact O-N 3.46Å; D355-R357 VanDerWaalsContact O-N 3.11Å; D355-R357 VanDerWaalsContact OD1-CB 3.29Å; D355-R357 WeakPolarHBondContact OD1-CB 3.42Å; D355-R357 VanDerWaalsContact OD1-CG 3.32Å; D355-R357 WeakPolarHBondContact OD1-CG 3.34Å; D355-R357 PolarHBondContact OD1-N 2.78Å; D355-R357 IonicContact OD1-NE 2.64Å; D355-R357 PolarHBondContact OD1-NE 3.35Å; D355-R357 VanDerWaalsContact OD1-NE 3.09Å; D355-R357 IonicContact OD2-CZ 2.55Å; D355-R357 IonicContact OD2-NE 3.11Å; D355-R357 PolarHBondContact OD2-NE 2.81Å; D355-R357 IonicContact OD2-NH2 2.88Å; D355-R357 PolarHBondContact OD2-NH2 3.32Å; D355-K358 PolarHBondContact O-N 3.46Å; D355-K358 VanDerWaalsContact O-N 3.1Å
356I96.7Very high94.7Very high0 Ų048.5 Ų48.50%024%0.235CC..G310 helixtrans-60-22.3179.367-175000113.5N296 I298 I301 K358 M359 L429 T430 R436N296-I356 HydrophobicContact CB-CG1 4.44Å; N296-I356 WeakPolarHBondContact O-CG1 3.33Å; N296-I356 WeakPolarHBondContact O-CG2 3.37Å; N296-I356 PolarHBondContact O-N 2.95Å; I298-I356 HydrophobicContact CB-CG2 3.97Å; I298-I356 HydrophobicContact CG1-CG2 4.32Å; I301-I356 HydrophobicContact CD1-CD1 3.81Å; I301-I356 HydrophobicContact CD1-CG2 4.27Å; I356-K358 VanDerWaalsContact C-N 3.26Å; I356-K358 PolarHBondContact O-N 3.11Å; I356-M359 HydrophobicContact CG2-SD 4.4Å; I356-M359 PolarHBondContact O-N 2.92Å; I356-L429 HydrophobicContact CB-CB 4.37Å; I356-L429 HydrophobicContact CD1-CB 4.44Å; I356-L429 HydrophobicContact CD1-CD1 3.56Å; I356-L429 HydrophobicContact CG1-CB 4.47Å; I356-L429 HydrophobicContact CG1-CD1 4.09Å; I356-T430 HydrophobicContact CB-CG2 4.09Å; I356-T430 HydrophobicContact CG2-CG2 3.67Å; I356-R436 PolarHBondContact O-NH2 3.37Å
357R95.3Very high94.6Very high144 Ų14452 Ų5254%0.54326%0.258SS..G310 helixtrans-67.6-29.8178.9-63.1176.9-66.3179.90.3111.8D355 R436D355-R357 PolarHBondContact O-N 3.46Å; D355-R357 VanDerWaalsContact O-N 3.11Å; D355-R357 VanDerWaalsContact OD1-CB 3.29Å; D355-R357 WeakPolarHBondContact OD1-CB 3.42Å; D355-R357 VanDerWaalsContact OD1-CG 3.32Å; D355-R357 WeakPolarHBondContact OD1-CG 3.34Å; D355-R357 PolarHBondContact OD1-N 2.78Å; D355-R357 IonicContact OD1-NE 2.64Å; D355-R357 PolarHBondContact OD1-NE 3.35Å; D355-R357 VanDerWaalsContact OD1-NE 3.09Å; D355-R357 IonicContact OD2-CZ 2.55Å; D355-R357 IonicContact OD2-NE 3.11Å; D355-R357 PolarHBondContact OD2-NE 2.81Å; D355-R357 IonicContact OD2-NH2 2.88Å; D355-R357 PolarHBondContact OD2-NH2 3.32Å; R357-R436 WeakPolarHBondContact O-CD 3.24Å; R357-R436 PolarHBondContact O-NE 3.46Å
358K94.8Very high94.6Very high87 Ų8754 Ų5438%0.37827%0.269SS..G310 helixtrans-93.78.3177-61178.8-178.4174.50113.3E353 D355 I356 R436 F437E353-K358 IonicContact OE1-NZ 3.26Å; E353-K358 PolarHBondContact OE1-NZ 3.02Å; E353-K358 WeakPolarHBondContact OE2-CD 3.39Å; E353-K358 IonicContact OE2-NZ 3.6Å; E353-K358 PolarHBondContact OE2-NZ 3.5Å; D355-K358 PolarHBondContact O-N 3.46Å; D355-K358 VanDerWaalsContact O-N 3.1Å; I356-K358 VanDerWaalsContact C-N 3.26Å; I356-K358 PolarHBondContact O-N 3.11Å; K358-R436 CarbonylContact O-C 3.55Å; K358-R436 VanDerWaalsContact O-C 3.29Å; K358-F437 WeakPolarHBondContact O-CA 3.41Å; K358-F437 VanDerWaalsContact O-CB 3.27Å; K358-F437 WeakPolarHBondContact O-CB 3.33Å; K358-F437 PolarHBondContact O-N 2.98Å
359M95.3Very high94.7Very high0 Ų051.1 Ų51.10%026%0.255CS..  trans-96.9-165.2174.8-60.1-178.2-175.800110.6I298 I346 L350 I356 L362 T430 R436I298-M359 HydrophobicContact CD1-SD 4.37Å; I298-M359 HydrophobicContact CG2-CE 4.25Å; I346-M359 HydrophobicContact CG2-CE 3.9Å; I346-M359 HydrophobicContact CG2-SD 3.73Å; L350-M359 HydrophobicContact CD1-CG 3.84Å; I356-M359 HydrophobicContact CG2-SD 4.4Å; I356-M359 PolarHBondContact O-N 2.92Å; M359-L362 HydrophobicContact CB-CD1 4.46Å; M359-T430 HydrophobicContact SD-CG2 3.67Å; M359-R436 WeakPolarHBondContact O-CB 3.44Å; M359-R436 PolarHBondContact O-N 3.48Å; M359-R436 PolarHBondContact O-NE 3.36Å; M359-R436 PolarHBondContact O-NH2 2.85Å; M359-R436 VanDerWaalsContact O-NH2 3.1Å
360G94.8Very high94.8Very high0 Ų050.8 Ų50.80%025%0.254CS..  trans125.5151.1175.100000112.8L362 T430 P435 F437G360-L362 PolarHBondContact O-N 3.06Å; G360-L362 VanDerWaalsContact O-N 3.16Å; G360-T430 VanDerWaalsContact CA-O 3.27Å; G360-T430 WeakPolarHBondContact CA-O 3.33Å; G360-T430 PolarHBondContact N-O 3.12Å; G360-T430 VanDerWaalsContact N-O 3.17Å; G360-P435 WeakPolarHBondContact O-CA 3.24Å; G360-F437 WeakPolarHBondContact O-CE1 3.44Å
361G93.9Very high94.9Very high18 Ų1853.9 Ų53.919%0.18627%0.273CS..  trans6612.317800000115.5L363 L431 T432 G433G361-L363 PolarHBondContact O-N 3.5Å; G361-L431 CarbonylContact C-O 3.43Å; G361-L431 WeakPolarHBondContact CA-O 3.33Å; G361-L431 PolarHBondContact N-O 2.95Å; G361-T432 PolarHBondContact N-O 3.04Å; G361-G433 WeakPolarHBondContact CA-O 3.45Å; G361-G433 PolarHBondContact N-O 3.26Å
362L95.3Very high95.1Very high1 Ų149 Ų491%0.00525%0.247CC..Hα-helixtrans-70.2-15.3-174.9-64.7175000114I346 L350 M359 G360 K364 T365 M366 T430 L431 F437 I443I346-L362 HydrophobicContact CD1-CD1 4.23Å; I346-L362 HydrophobicContact CG1-CD1 4.11Å; I346-L362 HydrophobicContact CG2-CD1 3.63Å; L350-L362 HydrophobicContact CD1-CD1 4.4Å; M359-L362 HydrophobicContact CB-CD1 4.46Å; G360-L362 PolarHBondContact O-N 3.06Å; G360-L362 VanDerWaalsContact O-N 3.16Å; L362-K364 PolarHBondContact O-N 3.3Å; L362-T365 WeakPolarHBondContact CA-OG1 3.28Å; L362-T365 PolarHBondContact O-N 2.98Å; L362-T365 PolarHBondContact O-OG1 3.42Å; L362-M366 PolarHBondContact O-N 2.84Å; L362-T430 WeakPolarHBondContact CD1-O 3.48Å; L362-T430 WeakPolarHBondContact CG-O 3.46Å; L362-L431 HydrophobicContact CB-CD2 4.12Å; L362-L431 PolarHBondContact N-O 2.67Å; L362-L431 VanDerWaalsContact N-O 3.16Å; L362-F437 HydrophobicContact CD2-CE1 4.2Å; L362-I443 HydrophobicContact CD2-CD1 4.43Å
363L95.2Very high95.3Very high92 Ų9244 Ų4448%0.48222%0.22SC..Hα-helixtrans-55.5-37.2178.1-173.271.6000112.6G361 L431G361-L363 PolarHBondContact O-N 3.5Å; L363-L431 PolarHBondContact N-O 2.63Å
364K91Very high95.4Very high194 Ų19443.2 Ų43.284%0.84322%0.219SC*.Hα-helixtrans-88.4-31.4-179.6-66.6-175.6-179.7-1790113L362L362-K364 PolarHBondContact O-N 3.3Å
365T92.3Very high95.5Very high62 Ų6242.5 Ų42.538%0.3822%0.217SC..Hα-helixtrans-85.7-32.1-174.759.70000112.8L362 I443L362-T365 WeakPolarHBondContact CA-OG1 3.28Å; L362-T365 PolarHBondContact O-N 2.98Å; L362-T365 PolarHBondContact O-OG1 3.42Å; T365-I443 HydrophobicContact CG2-CD1 4.24Å
366M94.9Very high95.5Very high1 Ų141.6 Ų41.61%0.00521%0.212CC..  trans-131.775.6178.2-56-179.153.800110.8N349 L362 L368 T369 S370 I443 E445N349-M366 HydrophobicContact CB-CE 4.34Å; N349-M366 HydrophobicContact CB-SD 3.94Å; N349-M366 WeakPolarHBondContact ND2-CE 3.17Å; N349-M366 PolarHBondContact ND2-SD 3.2Å; N349-M366 VanDerWaalsContact ND2-SD 3.44Å; L362-M366 PolarHBondContact O-N 2.84Å; M366-L368 PolarHBondContact O-N 3.48Å; M366-T369 WeakPolarHBondContact CB-OG1 3.37Å; M366-T369 HydrophobicContact CE-CG2 3.92Å; M366-T369 WeakPolarHBondContact CE-OG1 3.48Å; M366-T369 PolarHBondContact O-OG1 3.11Å; M366-S370 VanDerWaalsContact O-CB 3.28Å; M366-S370 WeakPolarHBondContact O-CB 3.29Å; M366-S370 PolarHBondContact O-N 2.96Å; M366-S370 PolarHBondContact O-OG 3.21Å; M366-I443 HydrophobicContact CG-CG2 3.34Å; M366-I443 HydrophobicContact SD-CG2 3.73Å; M366-E445 VanDerWaalsContact C-OE2 3.22Å; M366-E445 WeakPolarHBondContact CA-OE2 3.41Å; M366-E445 HydrophobicContact CE-CG 4.27Å
367P95.3Very high95.5Very high75 Ų7541.6 Ų41.649%0.48721%0.212SC..Hα-helixtrans-66.8-33.4-171.426.4-35.1000113.8S370 T371 E445P367-S370 VanDerWaalsContact CA-OG 3.27Å; P367-S370 WeakPolarHBondContact CA-OG 3.46Å; P367-S370 PolarHBondContact O-OG 3.5Å; P367-T371 WeakPolarHBondContact O-CB 3.08Å; P367-T371 VanDerWaalsContact O-CG2 3.26Å; P367-T371 WeakPolarHBondContact O-CG2 3.27Å; P367-T371 PolarHBondContact O-N 2.95Å; P367-T371 VanDerWaalsContact O-N 3.07Å; P367-T371 PolarHBondContact O-OG1 3.15Å; P367-E445 WeakPolarHBondContact CD-OE2 3.32Å
368L96.3Very high95.5Very high43 Ų4338.2 Ų38.223%0.22520%0.204CC..Hα-helixtrans-73.6-47.3-178.4-174.478.1000110.9M366 S370 T371 S372 E445 L451 I454 K455M366-L368 PolarHBondContact O-N 3.48Å; L368-S370 VanDerWaalsContact C-N 3.31Å; L368-S370 PolarHBondContact O-N 2.98Å; L368-T371 WeakPolarHBondContact CA-OG1 3.39Å; L368-T371 PolarHBondContact O-N 2.95Å; L368-T371 PolarHBondContact O-OG1 2.73Å; L368-S372 PolarHBondContact O-N 3.46Å; L368-S372 PolarHBondContact O-OG 3.38Å; L368-S372 VanDerWaalsContact O-OG 3.05Å; L368-E445 WeakPolarHBondContact CB-OE1 3.41Å; L368-E445 PolarHBondContact N-OE2 3.33Å; L368-L451 HydrophobicContact CB-CD2 4.12Å; L368-L451 HydrophobicContact CD2-CB 3.98Å; L368-L451 HydrophobicContact CD2-CD2 3.28Å; L368-L451 HydrophobicContact CD2-CG 4.21Å; L368-L451 HydrophobicContact CG-CD2 4.29Å; L368-I454 HydrophobicContact CD2-CG2 4.4Å; L368-K455 HydrophobicContact CD1-CG 4.25Å; L368-K455 HydrophobicContact CD2-CG 3.96Å
369T96.7Very high95.6Very high2 Ų234 Ų341%0.01219%0.186CC..Hα-helixtrans-65.9-35.3179.745.70000111.7S345 M366 S372 L373 E445 I454S345-T369 WeakPolarHBondContact OG-CG2 3.35Å; M366-T369 WeakPolarHBondContact CB-OG1 3.37Å; M366-T369 HydrophobicContact CE-CG2 3.92Å; M366-T369 WeakPolarHBondContact CE-OG1 3.48Å; M366-T369 PolarHBondContact O-OG1 3.11Å; T369-S372 VanDerWaalsContact CA-OG 3.3Å; T369-S372 WeakPolarHBondContact CA-OG 3.44Å; T369-S372 PolarHBondContact O-OG 3.33Å; T369-S372 VanDerWaalsContact O-OG 3.07Å; T369-L373 WeakPolarHBondContact O-CB 3.31Å; T369-L373 PolarHBondContact O-N 2.92Å; T369-E445 WeakPolarHBondContact CA-OE1 3.38Å; T369-E445 VanDerWaalsContact CB-OE1 3.23Å; T369-E445 WeakPolarHBondContact CB-OE1 3.22Å; T369-E445 HydrophobicContact CG2-CG 4.35Å; T369-E445 WeakPolarHBondContact CG2-OE1 3.39Å; T369-E445 PolarHBondContact N-OE1 3.12Å; T369-E445 PolarHBondContact OG1-OE1 3.38Å; T369-I454 HydrophobicContact CG2-CD1 3.72Å
370S96.3Very high95.6Very high1 Ų134.2 Ų34.21%0.00719%0.187CC..Hα-helixtrans-67.6-41.8173.359.10000112.4M366 P367 L368 L373 T374M366-S370 VanDerWaalsContact O-CB 3.28Å; M366-S370 WeakPolarHBondContact O-CB 3.29Å; M366-S370 PolarHBondContact O-N 2.96Å; M366-S370 PolarHBondContact O-OG 3.21Å; P367-S370 VanDerWaalsContact CA-OG 3.27Å; P367-S370 WeakPolarHBondContact CA-OG 3.46Å; P367-S370 PolarHBondContact O-OG 3.5Å; L368-S370 VanDerWaalsContact C-N 3.31Å; L368-S370 PolarHBondContact O-N 2.98Å; S370-L373 PolarHBondContact O-N 2.62Å; S370-T374 WeakPolarHBondContact O-CG2 3.34Å; S370-T374 PolarHBondContact O-N 3.37Å; S370-T374 PolarHBondContact O-OG1 2.98Å
371T96.3Very high95.6Very high67 Ų6734.9 Ų34.941%0.41119%0.192SC..Hα-helixtrans-66.3-41.3174.151.30000112.2P367 L368 T374 I375P367-T371 WeakPolarHBondContact O-CB 3.08Å; P367-T371 VanDerWaalsContact O-CG2 3.26Å; P367-T371 WeakPolarHBondContact O-CG2 3.27Å; P367-T371 PolarHBondContact O-N 2.95Å; P367-T371 VanDerWaalsContact O-N 3.07Å; P367-T371 PolarHBondContact O-OG1 3.15Å; L368-T371 WeakPolarHBondContact CA-OG1 3.39Å; L368-T371 PolarHBondContact O-N 2.95Å; L368-T371 PolarHBondContact O-OG1 2.73Å; T371-T374 WeakPolarHBondContact CA-OG1 3.36Å; T371-T374 PolarHBondContact O-N 3.07Å; T371-T374 PolarHBondContact O-OG1 3.29Å; T371-I375 WeakPolarHBondContact O-CD1 3.41Å; T371-I375 VanDerWaalsContact O-CG1 3.24Å; T371-I375 WeakPolarHBondContact O-CG1 3.43Å; T371-I375 PolarHBondContact O-N 2.93Å
372S96.7Very high95.5Very high2 Ų234.7 Ų34.71%0.01419%0.19CC..Hα-helixtrans-70.1-36175.957.70000113M338 C342 L368 T369 T374 I375 G376 I454M338-S372 VanDerWaalsContact CE-O 3.23Å; M338-S372 WeakPolarHBondContact CE-O 3.38Å; C342-S372 PolarHBondContact SG-OG 3.29Å; L368-S372 PolarHBondContact O-N 3.46Å; L368-S372 PolarHBondContact O-OG 3.38Å; L368-S372 VanDerWaalsContact O-OG 3.05Å; T369-S372 VanDerWaalsContact CA-OG 3.3Å; T369-S372 WeakPolarHBondContact CA-OG 3.44Å; T369-S372 PolarHBondContact O-OG 3.33Å; T369-S372 VanDerWaalsContact O-OG 3.07Å; S372-T374 VanDerWaalsContact C-N 3.34Å; S372-I375 PolarHBondContact O-N 3.05Å; S372-G376 PolarHBondContact O-N 3.15Å; S372-I454 VanDerWaalsContact CB-CG2 3.44Å; S372-I454 WeakPolarHBondContact OG-CG2 3.49Å
373L97.1Very high95.5Very high1 Ų139.2 Ų39.21%0.00521%0.213CC..Hα-helixtrans-64.2-40.2174.9-170.278.3000111.2L339 C342 I346 T369 S370 G376 S377 M426 L431L339-L373 HydrophobicContact CD2-CD1 3.71Å; L339-L373 HydrophobicContact CD2-CG 4.41Å; C342-L373 HydrophobicContact CB-CB 4.2Å; C342-L373 HydrophobicContact CB-CD1 3.73Å; I346-L373 HydrophobicContact CD1-CD2 4.29Å; T369-L373 WeakPolarHBondContact O-CB 3.31Å; T369-L373 PolarHBondContact O-N 2.92Å; S370-L373 PolarHBondContact O-N 2.62Å; L373-G376 PolarHBondContact O-N 3.41Å; L373-S377 WeakPolarHBondContact O-CB 3.36Å; L373-S377 PolarHBondContact O-N 2.99Å; L373-S377 PolarHBondContact O-OG 3.09Å; L373-M426 HydrophobicContact CD1-CE 4.35Å; L373-M426 HydrophobicContact CD1-SD 3.92Å; L373-M426 HydrophobicContact CD2-SD 3.73Å; L373-M426 HydrophobicContact CG-SD 3.93Å; L373-L431 HydrophobicContact CD2-CD1 3.98Å; L373-L431 HydrophobicContact CD2-CD2 3.84Å; L373-L431 HydrophobicContact CD2-CG 3.93Å
374T97.1Very high95.4Very high40 Ų4036.6 Ų36.625%0.24520%0.201CC..Hα-helixtrans-67.9-43.3175.348.90000112.1S370 T371 S372 G376 S377 L378 I427 L431S370-T374 WeakPolarHBondContact O-CG2 3.34Å; S370-T374 PolarHBondContact O-N 3.37Å; S370-T374 PolarHBondContact O-OG1 2.98Å; T371-T374 WeakPolarHBondContact CA-OG1 3.36Å; T371-T374 PolarHBondContact O-N 3.07Å; T371-T374 PolarHBondContact O-OG1 3.29Å; S372-T374 VanDerWaalsContact C-N 3.34Å; T374-G376 VanDerWaalsContact C-N 3.33Å; T374-G376 PolarHBondContact O-N 3.48Å; T374-S377 VanDerWaalsContact CA-OG 3.31Å; T374-S377 WeakPolarHBondContact CA-OG 3.32Å; T374-S377 PolarHBondContact O-N 3.18Å; T374-S377 PolarHBondContact O-OG 3.27Å; T374-L378 WeakPolarHBondContact O-CB 3.37Å; T374-L378 VanDerWaalsContact O-CG 3.3Å; T374-L378 WeakPolarHBondContact O-CG 3.39Å; T374-L378 PolarHBondContact O-N 3.27Å; T374-I427 HydrophobicContact CG2-CG2 4.18Å; T374-L431 HydrophobicContact CG2-CD1 3.64Å
375I97.4Very high95.5Very high44 Ų4434.9 Ų34.923%0.22619%0.194CC..Hα-helixtrans-59.3-45.2173.5-66.4163.8000110.7M338 T371 S372 S377 L378 A379 S461 L462M338-I375 HydrophobicContact CE-CB 4.4Å; M338-I375 HydrophobicContact CE-CG2 4.25Å; T371-I375 WeakPolarHBondContact O-CD1 3.41Å; T371-I375 VanDerWaalsContact O-CG1 3.24Å; T371-I375 WeakPolarHBondContact O-CG1 3.43Å; T371-I375 PolarHBondContact O-N 2.93Å; S372-I375 PolarHBondContact O-N 3.05Å; I375-S377 PolarHBondContact O-N 3.49Å; I375-L378 PolarHBondContact O-N 2.68Å; I375-A379 WeakPolarHBondContact O-CB 3.39Å; I375-A379 PolarHBondContact O-N 3.48Å; I375-S461 WeakPolarHBondContact CG2-OG 3.18Å; I375-L462 HydrophobicContact CG2-CD2 3.91Å; I375-L462 HydrophobicContact CG2-CG 4.3Å
376G96.3Very high95.7Very high0 Ų033 Ų330%018%0.182CC..Hα-helixtrans-66.8-37.6-178.800000114.1S372 L373 T374 L380S372-G376 PolarHBondContact O-N 3.15Å; L373-G376 PolarHBondContact O-N 3.41Å; T374-G376 VanDerWaalsContact C-N 3.33Å; T374-G376 PolarHBondContact O-N 3.48Å; G376-L380 WeakPolarHBondContact O-CB 3.41Å; G376-L380 PolarHBondContact O-N 3.43Å
377S96.4Very high95.7Very high0 Ų033 Ų330%018%0.181CC..Hα-helixtrans-72.1-38.3176.747.20000112.1L373 T374 I375 L380 A381 I427L373-S377 WeakPolarHBondContact O-CB 3.36Å; L373-S377 PolarHBondContact O-N 2.99Å; L373-S377 PolarHBondContact O-OG 3.09Å; T374-S377 VanDerWaalsContact CA-OG 3.31Å; T374-S377 WeakPolarHBondContact CA-OG 3.32Å; T374-S377 PolarHBondContact O-N 3.18Å; T374-S377 PolarHBondContact O-OG 3.27Å; I375-S377 PolarHBondContact O-N 3.49Å; S377-L380 PolarHBondContact O-N 2.96Å; S377-A381 WeakPolarHBondContact O-CB 3.07Å; S377-A381 PolarHBondContact O-N 3.36Å; S377-I427 WeakPolarHBondContact OG-CD1 3.24Å
378L96.3Very high95.5Very high72 Ų7229.4 Ų29.438%0.37716%0.159SC..Hα-helixtrans-65.4-40.3171.6-71.3172.1000112.1T374 I375 A381 G382 M383 L386T374-L378 WeakPolarHBondContact O-CB 3.37Å; T374-L378 VanDerWaalsContact O-CG 3.3Å; T374-L378 WeakPolarHBondContact O-CG 3.39Å; T374-L378 PolarHBondContact O-N 3.27Å; I375-L378 PolarHBondContact O-N 2.68Å; L378-A381 PolarHBondContact O-N 3.04Å; L378-G382 PolarHBondContact O-N 3Å; L378-M383 HydrophobicContact CB-CB 4.13Å; L378-M383 PolarHBondContact O-N 3.38Å; L378-L386 HydrophobicContact CB-CD1 3.63Å
379A96.3Very high95.5Very high0 Ų029.6 Ų29.60%016%0.158CC..Hα-helixtrans-62.7-42174.300000111.3F335 I375 G382 L386 G388F335-A379 HydrophobicContact CB-CB 3.98Å; F335-A379 HydrophobicContact CD1-CB 4.25Å; F335-A379 HydrophobicContact CG-CB 4.26Å; I375-A379 WeakPolarHBondContact O-CB 3.39Å; I375-A379 PolarHBondContact O-N 3.48Å; A379-G382 PolarHBondContact O-N 2.71Å; A379-L386 HydrophobicContact CB-CB 4.22Å; A379-L386 HydrophobicContact CB-CD1 4.16Å; A379-G388 WeakPolarHBondContact O-CA 3.45Å
380L95.7Very high95.3Very high4 Ų431.1 Ų31.12%0.02116%0.163CC..Hα-helixtrans-63.8-40.9174.6-176.6165.3000112.3F335 K336 L339 G376 S377 G382 K392 Y422F335-L380 HydrophobicContact CD2-CB 4.12Å; F335-L380 HydrophobicContact CE2-CB 4.12Å; F335-L380 HydrophobicContact CE2-CG 4.32Å; K336-L380 HydrophobicContact CD-CD1 4.38Å; L339-L380 HydrophobicContact CD1-CD1 3.62Å; G376-L380 WeakPolarHBondContact O-CB 3.41Å; G376-L380 PolarHBondContact O-N 3.43Å; S377-L380 PolarHBondContact O-N 2.96Å; L380-G382 VanDerWaalsContact C-N 3.26Å; L380-G382 PolarHBondContact O-N 3.19Å; L380-K392 PolarHBondContact O-NZ 3.06Å; L380-Y422 HydrophobicContact CD2-CE2 4.07Å
381A94.4Very high95.2Very high13 Ų1331 Ų3111%0.10716%0.163CC..Hα-helixtrans-63.4-34.2176.800000111.6S377 L378 K392 T494S377-A381 WeakPolarHBondContact O-CB 3.07Å; S377-A381 PolarHBondContact O-N 3.36Å; L378-A381 PolarHBondContact O-N 3.04Å; A381-K392 PolarHBondContact O-NZ 3.39Å; A381-T494 WeakPolarHBondContact O-CG2 3.26Å
382G93.2Very high95.1Very high14 Ų1428.1 Ų28.114%0.14415%0.145CC..THydrogen-bonded Turntrans101.933.4-179.200000113.1L378 A379 L380L378-G382 PolarHBondContact O-N 3Å; A379-G382 PolarHBondContact O-N 2.71Å; L380-G382 VanDerWaalsContact C-N 3.26Å; L380-G382 PolarHBondContact O-N 3.19Å
383M94.3Very high95Very high96 Ų9628.6 Ų28.647%0.47315%0.147SC..  trans-57.3135.8176-174.872.4-166.100110.6L378 L386 F389L378-M383 HydrophobicContact CB-CB 4.13Å; L378-M383 PolarHBondContact O-N 3.38Å; M383-L386 HydrophobicContact CB-CD1 3.92Å; M383-L386 HydrophobicContact CB-CG 4.31Å; M383-L386 HydrophobicContact CG-CD1 4.4Å; M383-L386 WeakPolarHBondContact O-CB 3.31Å; M383-L386 PolarHBondContact O-N 3.27Å; M383-F389 WeakPolarHBondContact O-CB 3.4Å
384P94.4Very high94.8Very high37 Ų3731.1 Ų31.124%0.2416%0.158CC..THydrogen-bonded Turntrans-52.6144.2-179.320.7-35000112.5L386 F389 L491P384-L386 PolarHBondContact O-N 3.42Å; P384-L386 VanDerWaalsContact O-N 3.11Å; P384-F389 HydrophobicContact CB-CD2 4.31Å; P384-F389 HydrophobicContact CB-CE2 4.39Å; P384-L491 HydrophobicContact CG-CD1 4.29Å
385F93.1Very high94.7Very high159 Ų15929.4 Ų29.470%0.69715%0.148SC*.THydrogen-bonded Turntrans67.6-11-177.4-49.5-70.6000116.9
386L95.7Very high94.6Very high22 Ų2227.6 Ų27.612%0.11514%0.139CC..SBendtrans-77.9162.9168.3-64-172.9000111.2L378 A379 M383 P384 G388 F389 Y390 L462L378-L386 HydrophobicContact CB-CD1 3.63Å; A379-L386 HydrophobicContact CB-CB 4.22Å; A379-L386 HydrophobicContact CB-CD1 4.16Å; M383-L386 HydrophobicContact CB-CD1 3.92Å; M383-L386 HydrophobicContact CB-CG 4.31Å; M383-L386 HydrophobicContact CG-CD1 4.4Å; M383-L386 WeakPolarHBondContact O-CB 3.31Å; M383-L386 PolarHBondContact O-N 3.27Å; P384-L386 PolarHBondContact O-N 3.42Å; P384-L386 VanDerWaalsContact O-N 3.11Å; L386-G388 PolarHBondContact O-N 3.26Å; L386-G388 VanDerWaalsContact O-N 3.11Å; L386-F389 WeakPolarHBondContact O-CB 3.44Å; L386-F389 PolarHBondContact O-N 3.05Å; L386-Y390 WeakPolarHBondContact O-CD2 3.44Å; L386-L462 HydrophobicContact CD2-CD2 3.42Å; L386-L462 VanDerWaalsContact CD2-CD2 3.42Å
387T93.8Very high94.5Very high0 Ų028.4 Ų28.40%014%0.142CC..THydrogen-bonded Turntrans-60.4-29.3-173.257.60000114.8T331 F389 G460 S461 A464T331-T387 WeakPolarHBondContact CG2-O 3.29Å; T387-F389 VanDerWaalsContact C-N 3.33Å; T387-G460 VanDerWaalsContact CG2-O 3.27Å; T387-G460 WeakPolarHBondContact CG2-O 3.2Å; T387-S461 VanDerWaalsContact CG2-C 3.44Å; T387-S461 VanDerWaalsContact CG2-O 3.28Å; T387-S461 WeakPolarHBondContact CG2-O 3.48Å; T387-S461 PolarHBondContact N-O 3.05Å; T387-S461 PolarHBondContact OG1-O 3.13Å; T387-A464 HydrophobicContact CG2-CB 4.46Å
388G92.7Very high94.3Very high1 Ų129.3 Ų29.31%0.0115%0.149CC..THydrogen-bonded Turntrans-70-28.1177.500000113.7A379 L386 S391 K392A379-G388 WeakPolarHBondContact O-CA 3.45Å; L386-G388 PolarHBondContact O-N 3.26Å; L386-G388 VanDerWaalsContact O-N 3.11Å; G388-S391 PolarHBondContact O-N 3.43Å; G388-S391 PolarHBondContact O-OG 2.93Å; G388-K392 WeakPolarHBondContact O-CB 3.21Å; G388-K392 PolarHBondContact O-N 3.06Å
389F94.9Very high94.1Very high46 Ų4626.1 Ų26.120%0.20213%0.133CC..Hα-helixtrans-62.8-48.4179174.8-101000111.5M383 P384 L386 T387 S391 D393M383-F389 WeakPolarHBondContact O-CB 3.4Å; P384-F389 HydrophobicContact CB-CD2 4.31Å; P384-F389 HydrophobicContact CB-CE2 4.39Å; L386-F389 WeakPolarHBondContact O-CB 3.44Å; L386-F389 PolarHBondContact O-N 3.05Å; T387-F389 VanDerWaalsContact C-N 3.33Å; F389-S391 PolarHBondContact O-N 3.27Å; F389-D393 HydrophobicContact CD2-CB 3.82Å; F389-D393 HydrophobicContact CE2-CB 3.75Å; F389-D393 WeakPolarHBondContact CE2-OD2 3.43Å; F389-D393 HydrophobicContact CG-CB 4.39Å; F389-D393 HydrophobicContact CZ-CB 4.28Å; F389-D393 VanDerWaalsContact CZ-OD2 3.24Å; F389-D393 WeakPolarHBondContact CZ-OD2 3.33Å; F389-D393 WeakPolarHBondContact O-CB 3.21Å; F389-D393 PolarHBondContact O-N 3.11Å; F389-D393 VanDerWaalsContact O-N 3.08Å
390Y93.8Very high93.9Very high34 Ų3427.4 Ų27.413%0.13314%0.14CC..Hα-helixtrans-56.5-20.6-179.1-69.8-73.1000115.1L327 L386 H394 F466 T469L327-Y390 VanDerWaalsContact CD2-O 3.25Å; L327-Y390 WeakPolarHBondContact CD2-O 3.39Å; L386-Y390 WeakPolarHBondContact O-CD2 3.44Å; Y390-H394 PolarHBondContact O-CD2 2.77Å; Y390-F466 HydrophobicContact CE1-CB 4.41Å; Y390-F466 HydrophobicContact CE1-CD2 4.1Å; Y390-F466 HydrophobicContact CE2-CB 3.75Å; Y390-F466 AromaticContact CZ-CD2 3.77Å; Y390-F466 WeakPolarHBondContact OH-CD2 3.46Å; Y390-T469 HydrophobicContact CD1-CG2 4.07Å; Y390-T469 HydrophobicContact CG-CG2 4.15Å
391S93.8Very high93.7Very high0 Ų030.4 Ų30.40%015%0.154CC..Hα-helixtrans-108.4-55.1174.753.50000111.8H328 T331 G388 F389 D393 H394 I395H328-S391 PolarHBondContact ND1-OG 3.32Å; T331-S391 PolarHBondContact OG1-OG 3.49Å; T331-S391 VanDerWaalsContact OG1-OG 3.09Å; G388-S391 PolarHBondContact O-N 3.43Å; G388-S391 PolarHBondContact O-OG 2.93Å; F389-S391 PolarHBondContact O-N 3.27Å; S391-D393 PolarHBondContact O-N 3.13Å; S391-H394 PolarHBondContact O-N 3.18Å; S391-I395 WeakPolarHBondContact O-CB 3.41Å; S391-I395 WeakPolarHBondContact O-CD1 3.31Å; S391-I395 WeakPolarHBondContact O-CG1 3.45Å; S391-I395 PolarHBondContact O-N 2.97Å
392K94.7Very high93.5Very high6 Ų631.6 Ų31.63%0.02616%0.162CC..Hα-helixtrans-65.1-35.7-170.7-166.1-177.8-179.8-172.10113L380 A381 G388 I395 I396 T419L380-K392 PolarHBondContact O-NZ 3.06Å; A381-K392 PolarHBondContact O-NZ 3.39Å; G388-K392 WeakPolarHBondContact O-CB 3.21Å; G388-K392 PolarHBondContact O-N 3.06Å; K392-I395 PolarHBondContact O-N 3.31Å; K392-I396 HydrophobicContact CG-CD1 4.3Å; K392-I396 WeakPolarHBondContact O-CG1 3.2Å; K392-I396 PolarHBondContact O-N 2.72Å; K392-I396 VanDerWaalsContact O-N 3.14Å; K392-T419 PolarHBondContact NZ-OG1 3.08Å
393D94.4Very high93.3Very high12 Ų1242.7 Ų42.76%0.06420%0.201CC..Hα-helixtrans-65.4-51.4177.6-161.653.1000110.2F389 S391 I395 I396 E397 K487 A490F389-D393 HydrophobicContact CD2-CB 3.82Å; F389-D393 HydrophobicContact CE2-CB 3.75Å; F389-D393 WeakPolarHBondContact CE2-OD2 3.43Å; F389-D393 HydrophobicContact CG-CB 4.39Å; F389-D393 HydrophobicContact CZ-CB 4.28Å; F389-D393 VanDerWaalsContact CZ-OD2 3.24Å; F389-D393 WeakPolarHBondContact CZ-OD2 3.33Å; F389-D393 WeakPolarHBondContact O-CB 3.21Å; F389-D393 PolarHBondContact O-N 3.11Å; F389-D393 VanDerWaalsContact O-N 3.08Å; S391-D393 PolarHBondContact O-N 3.13Å; D393-I395 VanDerWaalsContact C-N 3.28Å; D393-I395 PolarHBondContact O-N 3.39Å; D393-I396 PolarHBondContact O-N 3.36Å; D393-I396 VanDerWaalsContact O-N 3.07Å; D393-E397 VanDerWaalsContact CG-OE1 3.22Å; D393-E397 PolarHBondContact O-N 2.87Å; D393-K487 IonicContact OD2-NZ 2.78Å; D393-K487 PolarHBondContact OD2-NZ 3.48Å; D393-A490 WeakPolarHBondContact OD1-CB 3.21Å
394H92.5Very high93.1Very high53 Ų5339.9 Ų39.925%0.24519%0.189CC..Hα-helixtrans-62-32.5176.4-69.7-41000113.7L324 Y390 S391 E397 S398L324-H394 HydrophobicContact CD1-CB 4.46Å; L324-H394 HydrophobicContact CD2-CB 4.08Å; Y390-H394 PolarHBondContact O-CD2 2.77Å; S391-H394 PolarHBondContact O-N 3.18Å; H394-E397 IonicContact ND1-OE2 2.82Å; H394-E397 PolarHBondContact ND1-OE2 3Å; H394-S398 WeakPolarHBondContact O-CB 3.48Å; H394-S398 PolarHBondContact O-N 3.31Å; H394-S398 PolarHBondContact O-OG 2.93Å
395I95Very high93.1Very high4 Ų441.7 Ų41.72%0.02120%0.197CC..Hα-helixtrans-63.1-46.3173-72.9168.1000110.9L312 T316 L324 H328 S391 K392 D393 S398 A399L312-I395 HydrophobicContact CD1-CG2 4.42Å; L312-I395 HydrophobicContact CD2-CD1 3.7Å; L312-I395 HydrophobicContact CD2-CG2 3.91Å; L312-I395 HydrophobicContact CG-CG2 4.07Å; T316-I395 HydrophobicContact CG2-CB 3.79Å; T316-I395 HydrophobicContact CG2-CD1 3.61Å; T316-I395 HydrophobicContact CG2-CG1 3.37Å; T316-I395 HydrophobicContact CG2-CG2 3.18Å; L324-I395 HydrophobicContact CB-CG1 4.25Å; H328-I395 HydrophobicContact CB-CD1 3.77Å; S391-I395 WeakPolarHBondContact O-CB 3.41Å; S391-I395 WeakPolarHBondContact O-CD1 3.31Å; S391-I395 WeakPolarHBondContact O-CG1 3.45Å; S391-I395 PolarHBondContact O-N 2.97Å; K392-I395 PolarHBondContact O-N 3.31Å; D393-I395 VanDerWaalsContact C-N 3.28Å; D393-I395 PolarHBondContact O-N 3.39Å; I395-S398 PolarHBondContact O-OG 3.44Å; I395-A399 VanDerWaalsContact O-CB 3.32Å; I395-A399 WeakPolarHBondContact O-CB 3.33Å; I395-A399 PolarHBondContact O-N 2.72Å
396I94.9Very high93.2Very high7 Ų737.6 Ų37.64%0.03619%0.193CC..Hα-helixtrans-69.7-38.7-179.7-66.8164.6000110.4K392 D393 A399 N400 L413 T416 A490K392-I396 HydrophobicContact CG-CD1 4.3Å; K392-I396 WeakPolarHBondContact O-CG1 3.2Å; K392-I396 PolarHBondContact O-N 2.72Å; K392-I396 VanDerWaalsContact O-N 3.14Å; D393-I396 PolarHBondContact O-N 3.36Å; D393-I396 VanDerWaalsContact O-N 3.07Å; I396-A399 PolarHBondContact O-N 3.38Å; I396-N400 WeakPolarHBondContact O-CB 3.19Å; I396-N400 VanDerWaalsContact O-CG 3.24Å; I396-N400 PolarHBondContact O-N 3.22Å; I396-N400 PolarHBondContact O-ND2 3.05Å; I396-L413 HydrophobicContact CG2-CD2 3.78Å; I396-T416 HydrophobicContact CD1-CG2 3.78Å; I396-T416 HydrophobicContact CG1-CG2 4.45Å; I396-A490 HydrophobicContact CB-CB 4.14Å; I396-A490 HydrophobicContact CD1-CB 3.52Å; I396-A490 HydrophobicContact CG1-CB 4.44Å; I396-A490 HydrophobicContact CG2-CB 4.07Å
397E93.8Very high93.2Very high16 Ų1642.6 Ų42.68%0.07521%0.21CC..Hα-helixtrans-60-51.3174.1-80.6158.6-14300112.6D393 H394 A399 N400 M401 I482 K487D393-E397 VanDerWaalsContact CG-OE1 3.22Å; D393-E397 PolarHBondContact O-N 2.87Å; H394-E397 IonicContact ND1-OE2 2.82Å; H394-E397 PolarHBondContact ND1-OE2 3Å; E397-A399 VanDerWaalsContact C-N 3.29Å; E397-A399 PolarHBondContact O-N 3.43Å; E397-N400 PolarHBondContact O-N 3.47Å; E397-M401 WeakPolarHBondContact O-CG 3.22Å; E397-M401 PolarHBondContact O-N 3.24Å; E397-I482 HydrophobicContact CB-CD1 3.95Å; E397-I482 HydrophobicContact CG-CD1 3.9Å; E397-K487 HydrophobicContact CG-CD 4.18Å; E397-K487 VanDerWaalsContact OE1-CD 3.29Å; E397-K487 WeakPolarHBondContact OE1-CD 3.41Å; E397-K487 WeakPolarHBondContact OE1-CE 3.41Å; E397-K487 IonicContact OE1-NZ 2.9Å; E397-K487 PolarHBondContact OE1-NZ 3.31Å; E397-K487 IonicContact OE2-NZ 2.9Å; E397-K487 PolarHBondContact OE2-NZ 3.36Å
398S92.3Very high93.4Very high19 Ų1942.6 Ų42.613%0.13321%0.21CC..Hα-helixtrans-63.3-36.8178.653.50000111.7I319 H394 I395 S402I319-S398 WeakPolarHBondContact CD1-OG 3.46Å; H394-S398 WeakPolarHBondContact O-CB 3.48Å; H394-S398 PolarHBondContact O-N 3.31Å; H394-S398 PolarHBondContact O-OG 2.93Å; I395-S398 PolarHBondContact O-OG 3.44Å; S398-S402 VanDerWaalsContact O-CB 3.26Å; S398-S402 WeakPolarHBondContact O-CB 3.4Å; S398-S402 PolarHBondContact O-N 3.41Å; S398-S402 VanDerWaalsContact O-N 3.07Å; S398-S402 PolarHBondContact O-OG 2.95Å
399A92.6Very high93.5Very high6 Ų644.3 Ų44.35%0.0522%0.219CC..Hα-helixtrans-64.7-42.417400000112.7I319 I395 I396 E397 M401 S402 T404 L409I319-A399 HydrophobicContact CD1-CB 4.2Å; I395-A399 VanDerWaalsContact O-CB 3.32Å; I395-A399 WeakPolarHBondContact O-CB 3.33Å; I395-A399 PolarHBondContact O-N 2.72Å; I396-A399 PolarHBondContact O-N 3.38Å; E397-A399 VanDerWaalsContact C-N 3.29Å; E397-A399 PolarHBondContact O-N 3.43Å; A399-M401 VanDerWaalsContact C-N 3.34Å; A399-M401 PolarHBondContact O-N 2.97Å; A399-S402 PolarHBondContact O-OG 3.19Å; A399-T404 PolarHBondContact O-OG1 3.26Å; A399-L409 VanDerWaalsContact O-CD1 3.31Å; A399-L409 WeakPolarHBondContact O-CD1 3.33Å
400N93Very high93.6Very high27 Ų2744.6 Ų44.614%0.14423%0.226CC..Hα-helixtrans-67.1-31.5178.9-75.4-20.5000113.8I396 E397 L409 L486 T489I396-N400 WeakPolarHBondContact O-CB 3.19Å; I396-N400 VanDerWaalsContact O-CG 3.24Å; I396-N400 PolarHBondContact O-N 3.22Å; I396-N400 PolarHBondContact O-ND2 3.05Å; E397-N400 PolarHBondContact O-N 3.47Å; N400-L409 WeakPolarHBondContact OD1-CD1 3.44Å; N400-L486 HydrophobicContact CB-CD2 4.33Å; N400-T489 PolarHBondContact ND2-OG1 2.83Å
401M91.2Very high93.7Very high66 Ų6643.6 Ų43.633%0.32522%0.223SC..Hα-helixtrans-95.1-17.1-175.9-65.6-61.2-62.200114E397 A399 I482 L486E397-M401 WeakPolarHBondContact O-CG 3.22Å; E397-M401 PolarHBondContact O-N 3.24Å; A399-M401 VanDerWaalsContact C-N 3.34Å; A399-M401 PolarHBondContact O-N 2.97Å; M401-I482 HydrophobicContact CG-CD1 4.17Å; M401-I482 HydrophobicContact CG-CG1 4.04Å; M401-I482 HydrophobicContact CG-CG2 4.46Å; M401-I482 HydrophobicContact SD-CB 4.5Å; M401-I482 HydrophobicContact SD-CG1 4.22Å; M401-I482 HydrophobicContact SD-CG2 4.04Å; M401-L486 HydrophobicContact SD-CD1 3.76Å
402S88.9Confident93.9Very high38 Ų3844.2 Ų44.227%0.26623%0.227SC..SBendtrans-85.1158.2179.249.60000112.2S398 A399 T404S398-S402 VanDerWaalsContact O-CB 3.26Å; S398-S402 WeakPolarHBondContact O-CB 3.4Å; S398-S402 PolarHBondContact O-N 3.41Å; S398-S402 VanDerWaalsContact O-N 3.07Å; S398-S402 PolarHBondContact O-OG 2.95Å; A399-S402 PolarHBondContact O-OG 3.19Å; S402-T404 PolarHBondContact O-N 3.48Å; S402-T404 WeakPolarHBondContact OG-CG2 3.27Å
403Y89.8Confident94Very high248 Ų24845.5 Ų45.597%0.97323%0.234SC*.SBendtrans-7280.7174.5-174.2-100.8000110
404T90.6Very high94.1Very high36 Ų3649.1 Ų49.122%0.22125%0.252CS..  trans-110.3159.3-174.458.20000111.7I319 A399 S402 A406I319-T404 HydrophobicContact CB-CG2 4.35Å; I319-T404 HydrophobicContact CG2-CG2 3.44Å; I319-T404 VanDerWaalsContact CG2-CG2 3.44Å; A399-T404 PolarHBondContact O-OG1 3.26Å; S402-T404 PolarHBondContact O-N 3.48Å; S402-T404 WeakPolarHBondContact OG-CG2 3.27Å; T404-A406 PolarHBondContact O-N 3.43Å; T404-A406 VanDerWaalsContact O-N 3.13Å
405N94.3Very high94.3Very high75 Ų7546.7 Ų46.740%0.40124%0.242SC..  trans-64.9114.5170-175.7-8.4000109.3L278 W407 A408 L409L278-N405 HydrophobicContact CD2-CB 3.82Å; N405-W407 PolarHBondContact O-N 2.97Å; N405-W407 VanDerWaalsContact O-N 3.12Å; N405-W407 WeakPolarHBondContact OD1-CB 3.27Å; N405-W407 PolarHBondContact OD1-N 3.08Å; N405-W407 VanDerWaalsContact OD1-N 3.11Å; N405-A408 HydrophobicContact CB-CB 4.21Å; N405-A408 PolarHBondContact O-N 3.5Å; N405-L409 PolarHBondContact O-N 2.89Å; N405-L409 VanDerWaalsContact O-N 3.09Å
406A94.7Very high94.4Very high73 Ų7346.6 Ų46.660%0.60324%0.241SC*.Hα-helixtrans-54.3-33.6-179.400000112.9T404 S410T404-A406 PolarHBondContact O-N 3.43Å; T404-A406 VanDerWaalsContact O-N 3.13Å; A406-S410 WeakPolarHBondContact O-CB 3.26Å; A406-S410 PolarHBondContact O-N 2.94Å; A406-S410 PolarHBondContact O-OG 3.15Å
407W96.4Very high94.5Very high127 Ų12747.2 Ų47.248%0.48125%0.246SC..Hα-helixtrans-64-49.3176.117880.1000111.9I283 N405 L409 S410 I411I283-W407 HydrophobicContact CD1-CH2 3.77Å; I283-W407 HydrophobicContact CD1-CZ3 4.23Å; I283-W407 HydrophobicContact CG1-CH2 3.42Å; I283-W407 VanDerWaalsContact CG1-CH2 3.42Å; I283-W407 HydrophobicContact CG1-CZ2 4.46Å; I283-W407 HydrophobicContact CG1-CZ3 3.94Å; N405-W407 PolarHBondContact O-N 2.97Å; N405-W407 VanDerWaalsContact O-N 3.12Å; N405-W407 WeakPolarHBondContact OD1-CB 3.27Å; N405-W407 PolarHBondContact OD1-N 3.08Å; N405-W407 VanDerWaalsContact OD1-N 3.11Å; W407-L409 VanDerWaalsContact C-N 3.31Å; W407-L409 PolarHBondContact O-N 3.23Å; W407-S410 PolarHBondContact O-N 3.15Å; W407-S410 PolarHBondContact O-OG 3.15Å; W407-I411 HydrophobicContact CD2-CD1 3.63Å; W407-I411 HydrophobicContact CE3-CD1 4.05Å; W407-I411 HydrophobicContact CG-CD1 4.31Å; W407-I411 HydrophobicContact CH2-CD1 3.7Å; W407-I411 HydrophobicContact CZ2-CD1 3.19Å; W407-I411 HydrophobicContact CZ3-CD1 4.08Å; W407-I411 WeakPolarHBondContact O-CG1 3.25Å; W407-I411 PolarHBondContact O-N 3.22Å
408A96.4Very high94.6Very high1 Ų147.9 Ų47.91%0.00825%0.25CS..Hα-helixtrans-60.4-43.3178.500000111.1L278 A282 N405 I411 T412L278-A408 HydrophobicContact CD2-CB 3.48Å; L278-A408 VanDerWaalsContact CD2-CB 3.48Å; L278-A408 HydrophobicContact CG-CB 3.9Å; A282-A408 HydrophobicContact CB-CB 3.77Å; N405-A408 HydrophobicContact CB-CB 4.21Å; N405-A408 PolarHBondContact O-N 3.5Å; A408-I411 PolarHBondContact O-N 2.96Å; A408-T412 WeakPolarHBondContact O-CG2 3.49Å; A408-T412 PolarHBondContact O-N 3.43Å; A408-T412 PolarHBondContact O-OG1 3.11Å
409L95.9Very high94.9Very high37 Ų3747.1 Ų47.119%0.19425%0.245CC..Hα-helixtrans-59.8-50.6175.9-178.2143.4000112.1A399 N400 N405 W407 I411 T412 L413A399-L409 VanDerWaalsContact O-CD1 3.31Å; A399-L409 WeakPolarHBondContact O-CD1 3.33Å; N400-L409 WeakPolarHBondContact OD1-CD1 3.44Å; N405-L409 PolarHBondContact O-N 2.89Å; N405-L409 VanDerWaalsContact O-N 3.09Å; W407-L409 VanDerWaalsContact C-N 3.31Å; W407-L409 PolarHBondContact O-N 3.23Å; L409-I411 VanDerWaalsContact C-N 3.26Å; L409-I411 PolarHBondContact O-N 3.25Å; L409-T412 WeakPolarHBondContact CA-OG1 3.26Å; L409-T412 PolarHBondContact O-N 2.95Å; L409-T412 VanDerWaalsContact O-N 3.09Å; L409-T412 PolarHBondContact O-OG1 3.39Å; L409-L413 HydrophobicContact CD2-CD1 3.73Å; L409-L413 HydrophobicContact CD2-CG 4.41Å; L409-L413 PolarHBondContact O-N 3.45Å
410S96.1Very high95Very high51 Ų5147 Ų4736%0.35724%0.243SC..Hα-helixtrans-58.1-40.3179.469.60000112.4A406 W407 L413 I414A406-S410 WeakPolarHBondContact O-CB 3.26Å; A406-S410 PolarHBondContact O-N 2.94Å; A406-S410 PolarHBondContact O-OG 3.15Å; W407-S410 PolarHBondContact O-N 3.15Å; W407-S410 PolarHBondContact O-OG 3.15Å; S410-L413 PolarHBondContact O-N 3.39Å; S410-I414 WeakPolarHBondContact O-CG1 3.33Å; S410-I414 PolarHBondContact O-N 2.94Å
411I96.5Very high95.2Very high13 Ų1346.1 Ų46.17%0.06724%0.24CC..Hα-helixtrans-65.4-43176.7-73.7-178.3000111.4A282 L286 W407 A408 L409 L413 I414 A415A282-I411 HydrophobicContact CB-CG2 4.27Å; A282-I411 WeakPolarHBondContact O-CG2 3.29Å; L286-I411 HydrophobicContact CB-CG2 3.51Å; L286-I411 HydrophobicContact CD1-CG2 4.35Å; L286-I411 HydrophobicContact CD2-CD1 4.46Å; L286-I411 HydrophobicContact CD2-CG1 4.45Å; L286-I411 HydrophobicContact CD2-CG2 3.91Å; L286-I411 HydrophobicContact CG-CG2 4.11Å; W407-I411 HydrophobicContact CD2-CD1 3.63Å; W407-I411 HydrophobicContact CE3-CD1 4.05Å; W407-I411 HydrophobicContact CG-CD1 4.31Å; W407-I411 HydrophobicContact CH2-CD1 3.7Å; W407-I411 HydrophobicContact CZ2-CD1 3.19Å; W407-I411 HydrophobicContact CZ3-CD1 4.08Å; W407-I411 WeakPolarHBondContact O-CG1 3.25Å; W407-I411 PolarHBondContact O-N 3.22Å; A408-I411 PolarHBondContact O-N 2.96Å; L409-I411 VanDerWaalsContact C-N 3.26Å; L409-I411 PolarHBondContact O-N 3.25Å; I411-L413 VanDerWaalsContact C-N 3.34Å; I411-L413 PolarHBondContact O-N 3.45Å; I411-I414 PolarHBondContact O-N 3.03Å; I411-A415 WeakPolarHBondContact O-CB 3.44Å; I411-A415 PolarHBondContact O-N 2.59Å
412T97.1Very high95.5Very high13 Ų1343.1 Ų43.18%0.0823%0.225CC..Hα-helixtrans-64-39.8178.660.20000111.9A282 V315 A408 L409 A415 T416A282-T412 HydrophobicContact CB-CG2 4.03Å; V315-T412 HydrophobicContact CB-CG2 4.39Å; V315-T412 HydrophobicContact CG1-CG2 4.03Å; V315-T412 HydrophobicContact CG2-CG2 3.75Å; A408-T412 WeakPolarHBondContact O-CG2 3.49Å; A408-T412 PolarHBondContact O-N 3.43Å; A408-T412 PolarHBondContact O-OG1 3.11Å; L409-T412 WeakPolarHBondContact CA-OG1 3.26Å; L409-T412 PolarHBondContact O-N 2.95Å; L409-T412 VanDerWaalsContact O-N 3.09Å; L409-T412 PolarHBondContact O-OG1 3.39Å; T412-A415 PolarHBondContact O-N 3.39Å; T412-T416 WeakPolarHBondContact O-CG2 3.41Å; T412-T416 PolarHBondContact O-N 3.38Å
413L96.8Very high95.8Very high33 Ų3341.6 Ų41.617%0.17321%0.214CC..Hα-helixtrans-62.1-46.6173.5-67.3176.1000111I396 L409 S410 I411 A415 T416 S417 V493I396-L413 HydrophobicContact CG2-CD2 3.78Å; L409-L413 HydrophobicContact CD2-CD1 3.73Å; L409-L413 HydrophobicContact CD2-CG 4.41Å; L409-L413 PolarHBondContact O-N 3.45Å; S410-L413 PolarHBondContact O-N 3.39Å; I411-L413 VanDerWaalsContact C-N 3.34Å; I411-L413 PolarHBondContact O-N 3.45Å; L413-A415 VanDerWaalsContact C-N 3.33Å; L413-A415 PolarHBondContact O-N 2.87Å; L413-T416 PolarHBondContact O-N 3Å; L413-T416 VanDerWaalsContact O-N 3.12Å; L413-T416 PolarHBondContact O-OG1 2.99Å; L413-S417 PolarHBondContact O-N 2.9Å; L413-S417 VanDerWaalsContact O-N 3.1Å; L413-V493 WeakPolarHBondContact O-CG1 3.46Å
414I97.5Very high96.1Very high88 Ų8830.3 Ų30.345%0.45117%0.171SC..Hα-helixtrans-58.4-46.7175-65.8164.2000110.4L286 S410 I411 T416 S417 L418L286-I414 HydrophobicContact CD1-CB 4.29Å; L286-I414 HydrophobicContact CD1-CG2 3.75Å; S410-I414 WeakPolarHBondContact O-CG1 3.33Å; S410-I414 PolarHBondContact O-N 2.94Å; I411-I414 PolarHBondContact O-N 3.03Å; I414-T416 VanDerWaalsContact C-N 3.29Å; I414-T416 PolarHBondContact O-N 3.34Å; I414-S417 WeakPolarHBondContact O-CB 3.22Å; I414-S417 PolarHBondContact O-N 3.43Å; I414-S417 VanDerWaalsContact O-N 3.1Å; I414-S417 PolarHBondContact O-OG 3.39Å; I414-L418 HydrophobicContact CG2-CD1 4.41Å; I414-L418 HydrophobicContact CG2-CG 4.45Å; I414-L418 WeakPolarHBondContact O-CG 3.28Å; I414-L418 PolarHBondContact O-N 3.35Å
415A96.9Very high96.3Very high2 Ų231.7 Ų31.72%0.01717%0.172CC..Hα-helixtrans-58.3-39.7177.100000112T285 I411 T412 L413 S417 L418 T419T285-A415 WeakPolarHBondContact OG1-CB 3.34Å; I411-A415 WeakPolarHBondContact O-CB 3.44Å; I411-A415 PolarHBondContact O-N 2.59Å; T412-A415 PolarHBondContact O-N 3.39Å; L413-A415 VanDerWaalsContact C-N 3.33Å; L413-A415 PolarHBondContact O-N 2.87Å; A415-S417 VanDerWaalsContact C-N 3.34Å; A415-S417 PolarHBondContact O-N 3.46Å; A415-L418 PolarHBondContact O-N 3.05Å; A415-L418 VanDerWaalsContact O-N 3.16Å; A415-T419 WeakPolarHBondContact O-CG2 3.34Å; A415-T419 PolarHBondContact O-N 3Å
416T96.3Very high96.4Very high3 Ų328.4 Ų28.42%0.01816%0.155CC..Hα-helixtrans-64-36.7176.165.60000112.6L312 I396 T412 L413 I414 T419 S420 V493L312-T416 HydrophobicContact CD1-CG2 4.2Å; I396-T416 HydrophobicContact CD1-CG2 3.78Å; I396-T416 HydrophobicContact CG1-CG2 4.45Å; T412-T416 WeakPolarHBondContact O-CG2 3.41Å; T412-T416 PolarHBondContact O-N 3.38Å; L413-T416 PolarHBondContact O-N 3Å; L413-T416 VanDerWaalsContact O-N 3.12Å; L413-T416 PolarHBondContact O-OG1 2.99Å; I414-T416 VanDerWaalsContact C-N 3.29Å; I414-T416 PolarHBondContact O-N 3.34Å; T416-T419 PolarHBondContact O-N 2.81Å; T416-T419 PolarHBondContact O-OG1 3.42Å; T416-S420 PolarHBondContact O-N 3.44Å; T416-V493 VanDerWaalsContact OG1-CG1 3.29Å; T416-V493 WeakPolarHBondContact OG1-CG1 3.48Å
417S97.3Very high96.5Very high20 Ų2026.4 Ų26.414%0.1413%0.133CC..Hα-helixtrans-64.9-41.2171.876.30000111.9L413 I414 A415 T419 S420 A421 G497L413-S417 PolarHBondContact O-N 2.9Å; L413-S417 VanDerWaalsContact O-N 3.1Å; I414-S417 WeakPolarHBondContact O-CB 3.22Å; I414-S417 PolarHBondContact O-N 3.43Å; I414-S417 VanDerWaalsContact O-N 3.1Å; I414-S417 PolarHBondContact O-OG 3.39Å; A415-S417 VanDerWaalsContact C-N 3.34Å; A415-S417 PolarHBondContact O-N 3.46Å; S417-T419 PolarHBondContact O-N 3.19Å; S417-S420 PolarHBondContact O-N 3.21Å; S417-S420 PolarHBondContact O-OG 3.31Å; S417-A421 PolarHBondContact O-N 3.1Å; S417-A421 VanDerWaalsContact O-N 3.08Å; S417-G497 WeakPolarHBondContact O-CA 3.48Å
418L96.9Very high96.4Very high30 Ų3021.6 Ų21.616%0.15712%0.117CC..Hα-helixtrans-66.1-29.7177.1-64.2-174.5000111.2L286 A289 V290 L293 I414 A415 A421 Y422L286-L418 HydrophobicContact CD1-CD1 4.35Å; A289-L418 HydrophobicContact CB-CB 3.73Å; A289-L418 HydrophobicContact CB-CD1 4.03Å; V290-L418 HydrophobicContact CG2-CD1 3.7Å; L293-L418 HydrophobicContact CD1-CD1 4.37Å; L293-L418 HydrophobicContact CD1-CD2 3.84Å; I414-L418 HydrophobicContact CG2-CD1 4.41Å; I414-L418 HydrophobicContact CG2-CG 4.45Å; I414-L418 WeakPolarHBondContact O-CG 3.28Å; I414-L418 PolarHBondContact O-N 3.35Å; A415-L418 PolarHBondContact O-N 3.05Å; A415-L418 VanDerWaalsContact O-N 3.16Å; L418-A421 PolarHBondContact O-N 2.64Å; L418-Y422 WeakPolarHBondContact O-CD1 3.44Å; L418-Y422 PolarHBondContact O-N 3.15Å
419T96.8Very high96.3Very high3 Ų323.4 Ų23.42%0.01813%0.126CC..Hα-helixtrans-61.2-43.5174.970.40000113.5K392 A415 T416 S417 Y422 S423K392-T419 PolarHBondContact NZ-OG1 3.08Å; A415-T419 WeakPolarHBondContact O-CG2 3.34Å; A415-T419 PolarHBondContact O-N 3Å; T416-T419 PolarHBondContact O-N 2.81Å; T416-T419 PolarHBondContact O-OG1 3.42Å; S417-T419 PolarHBondContact O-N 3.19Å; T419-Y422 VanDerWaalsContact CA-CZ 3.48Å; T419-Y422 WeakPolarHBondContact CB-OH 3.44Å; T419-Y422 HydrophobicContact CG2-CE1 3.99Å; T419-Y422 VanDerWaalsContact CG2-OH 3.24Å; T419-Y422 WeakPolarHBondContact CG2-OH 2.89Å; T419-S423 VanDerWaalsContact O-CB 3.29Å; T419-S423 WeakPolarHBondContact O-CB 3.47Å; T419-S423 PolarHBondContact O-N 2.97Å; T419-S423 PolarHBondContact O-OG 3.11Å
420S96.2Very high96.3Very high2 Ų221.6 Ų21.61%0.01412%0.117CC..Hα-helixtrans-68.6-40.217357.90000110.4T416 S417 S423 T424 T494 G497 L498T416-S420 PolarHBondContact O-N 3.44Å; S417-S420 PolarHBondContact O-N 3.21Å; S417-S420 PolarHBondContact O-OG 3.31Å; S420-S423 WeakPolarHBondContact CA-OG 3.42Å; S420-S423 PolarHBondContact O-N 3.35Å; S420-S423 PolarHBondContact O-OG 3.48Å; S420-T424 WeakPolarHBondContact O-CG2 3.37Å; S420-T424 PolarHBondContact O-N 3.04Å; S420-T424 PolarHBondContact O-OG1 3.22Å; S420-T424 VanDerWaalsContact O-OG1 3.06Å; S420-T494 VanDerWaalsContact CB-O 3.29Å; S420-T494 WeakPolarHBondContact CB-O 3.46Å; S420-T494 PolarHBondContact OG-O 2.81Å; S420-G497 VanDerWaalsContact OG-CA 3.27Å; S420-G497 WeakPolarHBondContact OG-CA 2.97Å; S420-L498 PolarHBondContact OG-N 2.9Å
421A97Very high96.3Very high9 Ų919.3 Ų19.37%0.07410%0.101CC..Hα-helixtrans-61.5-46.5-178.400000115L293 S417 L418 S423 T424 R425 A501L293-A421 HydrophobicContact CD2-CB 3.98Å; S417-A421 PolarHBondContact O-N 3.1Å; S417-A421 VanDerWaalsContact O-N 3.08Å; L418-A421 PolarHBondContact O-N 2.64Å; A421-S423 VanDerWaalsContact C-N 3.33Å; A421-T424 PolarHBondContact O-OG1 2.89Å; A421-R425 WeakPolarHBondContact O-CB 3.36Å; A421-R425 PolarHBondContact O-N 3.2Å; A421-R425 VanDerWaalsContact O-N 3.1Å; A421-A501 HydrophobicContact CB-CB 4Å; A421-A501 WeakPolarHBondContact O-CB 3.23Å
422Y96.3Very high96.1Very high4 Ų421.2 Ų21.22%0.01611%0.113CC..Hα-helixtrans-72.8-28.6176.464.2-116.8000112.1A289 A292 I301 S305 L380 L418 T419 M426A289-Y422 HydrophobicContact CB-CE1 4.08Å; A292-Y422 HydrophobicContact CB-CD1 3.65Å; A292-Y422 HydrophobicContact CB-CE1 4.11Å; A292-Y422 HydrophobicContact CB-CG 3.88Å; I301-Y422 HydrophobicContact CG2-CD2 4.47Å; S305-Y422 VanDerWaalsContact CB-CE2 3.43Å; S305-Y422 WeakPolarHBondContact CB-OH 3.43Å; L380-Y422 HydrophobicContact CD2-CE2 4.07Å; L418-Y422 WeakPolarHBondContact O-CD1 3.44Å; L418-Y422 PolarHBondContact O-N 3.15Å; T419-Y422 VanDerWaalsContact CA-CZ 3.48Å; T419-Y422 WeakPolarHBondContact CB-OH 3.44Å; T419-Y422 HydrophobicContact CG2-CE1 3.99Å; T419-Y422 VanDerWaalsContact CG2-OH 3.24Å; T419-Y422 WeakPolarHBondContact CG2-OH 2.89Å; Y422-M426 WeakPolarHBondContact O-CB 3.49Å; Y422-M426 PolarHBondContact O-N 2.85Å
423S95.8Very high95.8Very high5 Ų523.2 Ų23.24%0.03514%0.136CC..Hα-helixtrans-68.5-43.6178.175.20000111.3T419 S420 A421 M426 I427T419-S423 VanDerWaalsContact O-CB 3.29Å; T419-S423 WeakPolarHBondContact O-CB 3.47Å; T419-S423 PolarHBondContact O-N 2.97Å; T419-S423 PolarHBondContact O-OG 3.11Å; S420-S423 WeakPolarHBondContact CA-OG 3.42Å; S420-S423 PolarHBondContact O-N 3.35Å; S420-S423 PolarHBondContact O-OG 3.48Å; A421-S423 VanDerWaalsContact C-N 3.33Å; S423-M426 PolarHBondContact O-N 3.49Å; S423-I427 WeakPolarHBondContact O-CG1 3.38Å; S423-I427 PolarHBondContact O-N 3.27Å
424T95.7Very high95.5Very high11 Ų1128.9 Ų28.97%0.06716%0.162CC..Hα-helixtrans-69.3-39.817754.40000111S420 A421 M426 I427 L428 L498 A501S420-T424 WeakPolarHBondContact O-CG2 3.37Å; S420-T424 PolarHBondContact O-N 3.04Å; S420-T424 PolarHBondContact O-OG1 3.22Å; S420-T424 VanDerWaalsContact O-OG1 3.06Å; A421-T424 PolarHBondContact O-OG1 2.89Å; T424-M426 VanDerWaalsContact C-N 3.3Å; T424-M426 PolarHBondContact O-N 3.18Å; T424-I427 PolarHBondContact O-N 2.84Å; T424-L428 WeakPolarHBondContact O-CB 3.43Å; T424-L428 WeakPolarHBondContact O-CD1 3.4Å; T424-L428 WeakPolarHBondContact O-CG 3.21Å; T424-L428 PolarHBondContact O-N 3.07Å; T424-L498 HydrophobicContact CG2-CB 4.16Å; T424-L498 HydrophobicContact CG2-CD1 3.89Å; T424-L498 HydrophobicContact CG2-CG 3.79Å; T424-A501 WeakPolarHBondContact OG1-CB 3.49Å
425R95.8Very high95.4Very high65 Ų6528.1 Ų28.125%0.24516%0.162CC..Hα-helixtrans-53.4-48.1170.1172.6-177.6162.2126.6-5.4111.6L293 T294 Q295 N296 A421 L428 L429L293-R425 WeakPolarHBondContact O-CD 3.32Å; L293-R425 PolarHBondContact O-NE 3.25Å; L293-R425 PolarHBondContact O-NH1 3.3Å; T294-R425 PolarHBondContact O-NH2 2.69Å; Q295-R425 PolarHBondContact O-NH2 3.25Å; Q295-R425 VanDerWaalsContact O-NH2 3.15Å; N296-R425 PolarHBondContact OD1-NH2 2.94Å; N296-R425 VanDerWaalsContact OD1-NH2 3.14Å; A421-R425 WeakPolarHBondContact O-CB 3.36Å; A421-R425 PolarHBondContact O-N 3.2Å; A421-R425 VanDerWaalsContact O-N 3.1Å; R425-L428 PolarHBondContact O-N 3.1Å; R425-L429 HydrophobicContact CG-CD1 3.83Å; R425-L429 PolarHBondContact O-N 3.07Å
426M95.7Very high95.2Very high6 Ų632.9 Ų32.93%0.0318%0.18CC..Hα-helixtrans-62.3-46.6179.8177.5-99.8-6900111.4I298 L339 L373 Y422 S423 T424 L428 T430I298-M426 HydrophobicContact CG1-CG 4.41Å; L339-M426 HydrophobicContact CD2-CE 4.1Å; L373-M426 HydrophobicContact CD1-CE 4.35Å; L373-M426 HydrophobicContact CD1-SD 3.92Å; L373-M426 HydrophobicContact CD2-SD 3.73Å; L373-M426 HydrophobicContact CG-SD 3.93Å; Y422-M426 WeakPolarHBondContact O-CB 3.49Å; Y422-M426 PolarHBondContact O-N 2.85Å; S423-M426 PolarHBondContact O-N 3.49Å; T424-M426 VanDerWaalsContact C-N 3.3Å; T424-M426 PolarHBondContact O-N 3.18Å; M426-L428 PolarHBondContact O-N 3.16Å; M426-T430 HydrophobicContact CG-CG2 4.47Å; M426-T430 VanDerWaalsContact O-CB 3.32Å; M426-T430 WeakPolarHBondContact O-CB 3.27Å; M426-T430 WeakPolarHBondContact O-CG2 3.46Å; M426-T430 PolarHBondContact O-N 3.41Å; M426-T430 VanDerWaalsContact O-N 3.08Å; M426-T430 PolarHBondContact O-OG1 2.8Å
427I96.1Very high95.1Very high31 Ų3134.7 Ų34.716%0.15919%0.187CC..Hα-helixtrans-58.2-49.5175.2-66.3165.7000111.2T374 S377 S423 T424 L431T374-I427 HydrophobicContact CG2-CG2 4.18Å; S377-I427 WeakPolarHBondContact OG-CD1 3.24Å; S423-I427 WeakPolarHBondContact O-CG1 3.38Å; S423-I427 PolarHBondContact O-N 3.27Å; T424-I427 PolarHBondContact O-N 2.84Å; I427-L431 HydrophobicContact CG2-CD1 4.2Å; I427-L431 WeakPolarHBondContact O-CB 3.46Å; I427-L431 PolarHBondContact O-N 2.99Å
428L94.6Very high94.9Very high27 Ų2737 Ų3714%0.14120%0.202CC..Hα-helixtrans-64.4-47.8-173.8-70.5163.8000111.7T424 R425 M426 T432 L502 N505T424-L428 WeakPolarHBondContact O-CB 3.43Å; T424-L428 WeakPolarHBondContact O-CD1 3.4Å; T424-L428 WeakPolarHBondContact O-CG 3.21Å; T424-L428 PolarHBondContact O-N 3.07Å; R425-L428 PolarHBondContact O-N 3.1Å; M426-L428 PolarHBondContact O-N 3.16Å; L428-T432 WeakPolarHBondContact CA-OG1 3.49Å; L428-T432 HydrophobicContact CD2-CG2 4.47Å; L428-T432 PolarHBondContact O-N 2.83Å; L428-T432 PolarHBondContact O-OG1 3.33Å; L428-L502 HydrophobicContact CD1-CD2 3.75Å; L428-L502 HydrophobicContact CD2-CD2 4Å; L428-L502 HydrophobicContact CG-CD2 4.42Å; L428-N505 WeakPolarHBondContact CB-ND2 3.39Å; L428-N505 HydrophobicContact CD1-CB 3.97Å
429L94.8Very high94.6Very high38 Ų3842.3 Ų42.320%0.19924%0.236CC..Hα-helixtrans-71.5-35.1-178.2-68.7174000112.4I356 R425 R436I356-L429 HydrophobicContact CB-CB 4.37Å; I356-L429 HydrophobicContact CD1-CB 4.44Å; I356-L429 HydrophobicContact CD1-CD1 3.56Å; I356-L429 HydrophobicContact CG1-CB 4.47Å; I356-L429 HydrophobicContact CG1-CD1 4.09Å; R425-L429 HydrophobicContact CG-CD1 3.83Å; R425-L429 PolarHBondContact O-N 3.07Å; L429-R436 PolarHBondContact O-NH2 3.23Å
430T95.7Very high94.1Very high0 Ų049.3 Ų49.30%027%0.272CS..Hα-helixtrans-85.8-47.6-175.861.60000113.1I298 I356 M359 G360 L362 M426I298-T430 HydrophobicContact CD1-CG2 3.97Å; I356-T430 HydrophobicContact CB-CG2 4.09Å; I356-T430 HydrophobicContact CG2-CG2 3.67Å; M359-T430 HydrophobicContact SD-CG2 3.67Å; G360-T430 VanDerWaalsContact CA-O 3.27Å; G360-T430 WeakPolarHBondContact CA-O 3.33Å; G360-T430 PolarHBondContact N-O 3.12Å; G360-T430 VanDerWaalsContact N-O 3.17Å; L362-T430 WeakPolarHBondContact CD1-O 3.48Å; L362-T430 WeakPolarHBondContact CG-O 3.46Å; M426-T430 HydrophobicContact CG-CG2 4.47Å; M426-T430 VanDerWaalsContact O-CB 3.32Å; M426-T430 WeakPolarHBondContact O-CB 3.27Å; M426-T430 WeakPolarHBondContact O-CG2 3.46Å; M426-T430 PolarHBondContact O-N 3.41Å; M426-T430 VanDerWaalsContact O-N 3.08Å; M426-T430 PolarHBondContact O-OG1 2.8Å
431L95.8Very high93.5Very high3 Ų350.2 Ų50.22%0.01628%0.278CS..Hα-helixtrans-93.1-37.1-170.8-56.6-173.6000113.2G361 L362 L363 L373 T374 I427G361-L431 CarbonylContact C-O 3.43Å; G361-L431 WeakPolarHBondContact CA-O 3.33Å; G361-L431 PolarHBondContact N-O 2.95Å; L362-L431 HydrophobicContact CB-CD2 4.12Å; L362-L431 PolarHBondContact N-O 2.67Å; L362-L431 VanDerWaalsContact N-O 3.16Å; L363-L431 PolarHBondContact N-O 2.63Å; L373-L431 HydrophobicContact CD2-CD1 3.98Å; L373-L431 HydrophobicContact CD2-CD2 3.84Å; L373-L431 HydrophobicContact CD2-CG 3.93Å; T374-L431 HydrophobicContact CG2-CD1 3.64Å; I427-L431 HydrophobicContact CG2-CD1 4.2Å; I427-L431 WeakPolarHBondContact O-CB 3.46Å; I427-L431 PolarHBondContact O-N 2.99Å
432T93.3Very high92.9Very high53 Ų5356.5 Ų56.533%0.32531%0.31SS..SBendtrans-98.9178.6-173.778.40000112.5G361 L428G361-T432 PolarHBondContact N-O 3.04Å; L428-T432 WeakPolarHBondContact CA-OG1 3.49Å; L428-T432 HydrophobicContact CD2-CG2 4.47Å; L428-T432 PolarHBondContact O-N 2.83Å; L428-T432 PolarHBondContact O-OG1 3.33Å
433G90Very high92.8Very high54 Ų5458.4 Ų58.456%0.55732%0.32SS*.SBendtrans74.2-166.4-177.800000113.4G361G361-G433 WeakPolarHBondContact CA-O 3.45Å; G361-G433 PolarHBondContact N-O 3.26Å
434Q91.4Very high92.6Very high153 Ų15362.6 Ų62.672%0.71534%0.342SS*.SBendtrans-85.1150.1178.3-61.7-61.8-14.600111.1R436Q434-R436 PolarHBondContact O-N 3.46Å; Q434-R436 PolarHBondContact O-NH1 2.96Å; Q434-R436 VanDerWaalsContact O-NH1 3.09Å
435P94.3Very high92.5Very high71 Ų7162.6 Ų62.646%0.46134%0.342SS..  trans-63.7128.6175.827.5-34.4000111G360 F437G360-P435 WeakPolarHBondContact O-CA 3.24Å; P435-F437 HydrophobicContact CB-CD1 3.92Å; P435-F437 HydrophobicContact CB-CE1 3.33Å; P435-F437 HydrophobicContact CB-CE2 4.28Å; P435-F437 HydrophobicContact CB-CZ 3.54Å
436R94.3Very high92.4Very high102 Ų10265.9 Ų65.939%0.38536%0.364SS..  trans-116.48.5176.5-57.2174.7-65-79.74113I356 R357 K358 M359 L429 Q434I356-R436 PolarHBondContact O-NH2 3.37Å; R357-R436 WeakPolarHBondContact O-CD 3.24Å; R357-R436 PolarHBondContact O-NE 3.46Å; K358-R436 CarbonylContact O-C 3.55Å; K358-R436 VanDerWaalsContact O-C 3.29Å; M359-R436 WeakPolarHBondContact O-CB 3.44Å; M359-R436 PolarHBondContact O-N 3.48Å; M359-R436 PolarHBondContact O-NE 3.36Å; M359-R436 PolarHBondContact O-NH2 2.85Å; M359-R436 VanDerWaalsContact O-NH2 3.1Å; L429-R436 PolarHBondContact O-NH2 3.23Å; Q434-R436 PolarHBondContact O-N 3.46Å; Q434-R436 PolarHBondContact O-NH1 2.96Å; Q434-R436 VanDerWaalsContact O-NH1 3.09Å
437F93.7Very high92.4Very high41 Ų4168.4 Ų68.418%0.1838%0.377CS..SBendtrans-79.8161.6176.251.8-100.9000110.9L350 K358 G360 L362 P435 T441 I443L350-F437 HydrophobicContact CD2-CB 3.8Å; L350-F437 HydrophobicContact CD2-CD1 3.97Å; L350-F437 HydrophobicContact CD2-CD2 4.23Å; L350-F437 HydrophobicContact CD2-CG 3.76Å; K358-F437 WeakPolarHBondContact O-CA 3.41Å; K358-F437 VanDerWaalsContact O-CB 3.27Å; K358-F437 WeakPolarHBondContact O-CB 3.33Å; K358-F437 PolarHBondContact O-N 2.98Å; G360-F437 WeakPolarHBondContact O-CE1 3.44Å; L362-F437 HydrophobicContact CD2-CE1 4.2Å; P435-F437 HydrophobicContact CB-CD1 3.92Å; P435-F437 HydrophobicContact CB-CE1 3.33Å; P435-F437 HydrophobicContact CB-CE2 4.28Å; P435-F437 HydrophobicContact CB-CZ 3.54Å; F437-T441 HydrophobicContact CD2-CG2 3.98Å; F437-T441 WeakPolarHBondContact CD2-OG1 3.41Å; F437-T441 WeakPolarHBondContact CE2-OG1 3.16Å; F437-I443 HydrophobicContact CE2-CD1 4.3Å; F437-I443 HydrophobicContact CZ-CD1 3.99Å
438P92.1Very high92.3Very high68 Ų6870.4 Ų70.444%0.44239%0.392SS..  trans-55.8149.1177.2-24.133.9000112.6L440 T441P438-L440 VanDerWaalsContact C-N 3.26Å; P438-L440 PolarHBondContact O-N 3.43Å; P438-T441 WeakPolarHBondContact O-CG2 3.47Å
439T90.4Very high92.4Very high143 Ų14370.4 Ų70.488%0.87739%0.394SS*.SBendtrans-62.3-29.2-174.351.30000114.5T441T439-T441 PolarHBondContact O-N 2.96Å
440L86.9Confident92.4Very high149 Ų14968.6 Ų68.678%0.7838%0.384SS*.  trans-98.255.1-175.9-86.9155000112.6P438P438-L440 VanDerWaalsContact C-N 3.26Å; P438-L440 PolarHBondContact O-N 3.43Å
441T83.3Confident92.4Very high21 Ų2170 Ų7013%0.12939%0.391CS..  trans-102.1119.517551.50000111.8L350 F437 P438 T439 I443L350-T441 HydrophobicContact CD2-CG2 4.13Å; F437-T441 HydrophobicContact CD2-CG2 3.98Å; F437-T441 WeakPolarHBondContact CD2-OG1 3.41Å; F437-T441 WeakPolarHBondContact CE2-OG1 3.16Å; P438-T441 WeakPolarHBondContact O-CG2 3.47Å; T439-T441 PolarHBondContact O-N 2.96Å; T441-I443 PolarHBondContact O-N 3.33Å; T441-I443 VanDerWaalsContact O-N 3.15Å
442N85.6Confident92.4Very high141 Ų14172.8 Ų72.875%0.75441%0.407SS*.  trans-8682.9174.1-76.5-3.3000109.7N444N442-N444 PolarHBondContact O-N 3.13Å
443I93Very high92.6Very high44 Ų4470.3 Ų70.323%0.22639%0.391CS..  trans-75.4118.3177-59174.7000108.9N349 L350 L362 T365 M366 F437 T441N349-I443 HydrophobicContact CB-CG2 4.44Å; L350-I443 HydrophobicContact CD2-CD1 4.47Å; L362-I443 HydrophobicContact CD2-CD1 4.43Å; T365-I443 HydrophobicContact CG2-CD1 4.24Å; M366-I443 HydrophobicContact CG-CG2 3.34Å; M366-I443 HydrophobicContact SD-CG2 3.73Å; F437-I443 HydrophobicContact CE2-CD1 4.3Å; F437-I443 HydrophobicContact CZ-CD1 3.99Å; T441-I443 PolarHBondContact O-N 3.33Å; T441-I443 VanDerWaalsContact O-N 3.15Å
444N92.1Very high92.9Very high93 Ų9367.8 Ų67.850%0.49737%0.365SS..  trans-136.1122.7172.7-174.46.3000110.7N349 N442 N446N349-N444 PolarHBondContact ND2-O 3.37Å; N349-N444 PolarHBondContact OD1-O 2.83Å; N442-N444 PolarHBondContact O-N 3.13Å; N444-N446 WeakPolarHBondContact OD1-CB 3.24Å; N444-N446 PolarHBondContact OD1-N 2.76Å
445E93.8Very high93.2Very high12 Ų1265.7 Ų65.76%0.05635%0.353CS..  trans-107.8-7.7178.3-150.9-177.6-17300112.7M366 P367 L368 T369 N447 L450 L451M366-E445 VanDerWaalsContact C-OE2 3.22Å; M366-E445 WeakPolarHBondContact CA-OE2 3.41Å; M366-E445 HydrophobicContact CE-CG 4.27Å; P367-E445 WeakPolarHBondContact CD-OE2 3.32Å; L368-E445 WeakPolarHBondContact CB-OE1 3.41Å; L368-E445 PolarHBondContact N-OE2 3.33Å; T369-E445 WeakPolarHBondContact CA-OE1 3.38Å; T369-E445 VanDerWaalsContact CB-OE1 3.23Å; T369-E445 WeakPolarHBondContact CB-OE1 3.22Å; T369-E445 HydrophobicContact CG2-CG 4.35Å; T369-E445 WeakPolarHBondContact CG2-OE1 3.39Å; T369-E445 PolarHBondContact N-OE1 3.12Å; T369-E445 PolarHBondContact OG1-OE1 3.38Å; E445-N447 PolarHBondContact O-N 3.11Å; E445-L450 HydrophobicContact CG-CD2 4.16Å; E445-L451 HydrophobicContact CG-CD2 3.87Å; E445-L451 WeakPolarHBondContact O-CD2 3.48Å; E445-L451 VanDerWaalsContact O-CG 3.24Å; E445-L451 WeakPolarHBondContact O-CG 3.31Å
446N93.7Very high93.3Very high134 Ų13464.4 Ų64.472%0.71734%0.339SS*.  trans-76.310.1-163-66-22.1000115.3N444N444-N446 WeakPolarHBondContact OD1-CB 3.24Å; N444-N446 PolarHBondContact OD1-N 2.76Å
447N95Very high93.5Very high58 Ų5859.5 Ų59.531%0.3132%0.321SS..  trans-82122.7-179.6-165.1-25.7000111.3E445 T449 L450 L451E445-N447 PolarHBondContact O-N 3.11Å; N447-T449 VanDerWaalsContact CG-OG1 3.26Å; N447-T449 PolarHBondContact ND2-OG1 3.4Å; N447-T449 PolarHBondContact O-N 3.09Å; N447-T449 PolarHBondContact OD1-N 2.87Å; N447-T449 VanDerWaalsContact OD1-N 3.09Å; N447-T449 PolarHBondContact OD1-OG1 3.37Å; N447-L450 HydrophobicContact CB-CB 4.31Å; N447-L450 WeakPolarHBondContact O-CB 3.33Å; N447-L450 PolarHBondContact O-N 3.02Å; N447-L451 WeakPolarHBondContact O-CG 3.31Å; N447-L451 PolarHBondContact O-N 2.87Å
448P95.5Very high93.6Very high73 Ų7358.2 Ų58.247%0.47432%0.318SS..Hα-helixtrans-58.3-32.8177.223.2-35.4000113.7L450 L451 N452P448-L450 PolarHBondContact O-N 3.05Å; P448-L451 PolarHBondContact O-N 3.16Å; P448-N452 WeakPolarHBondContact O-CB 3.48Å; P448-N452 PolarHBondContact O-N 3.02Å; P448-N452 PolarHBondContact O-ND2 2.96Å
449T94.8Very high93.8Very high27 Ų2757.1 Ų57.117%0.16632%0.315CS..Hα-helixtrans-69.1-19177.855.40000112.9W106 N447 P453W106-T449 WeakPolarHBondContact CB-OG1 3.31Å; N447-T449 VanDerWaalsContact CG-OG1 3.26Å; N447-T449 PolarHBondContact ND2-OG1 3.4Å; N447-T449 PolarHBondContact O-N 3.09Å; N447-T449 PolarHBondContact OD1-N 2.87Å; N447-T449 VanDerWaalsContact OD1-N 3.09Å; N447-T449 PolarHBondContact OD1-OG1 3.37Å; T449-P453 WeakPolarHBondContact O-CD 3.29Å; T449-P453 WeakPolarHBondContact O-CG 3.46Å
450L95.6Very high94Very high0 Ų050.7 Ų50.70%028%0.277CS..Hα-helixtrans-88-49.7169.7170.264.6000111.6F103 W106 E445 N447 P448 P453 I454F103-L450 HydrophobicContact CD2-CD1 3.76Å; F103-L450 HydrophobicContact CE2-CD1 3.53Å; W106-L450 HydrophobicContact CD2-CB 4.07Å; W106-L450 HydrophobicContact CD2-CD1 4.37Å; W106-L450 HydrophobicContact CD2-CD2 4.46Å; W106-L450 HydrophobicContact CE3-CB 4.42Å; W106-L450 HydrophobicContact CE3-CD1 3.91Å; W106-L450 HydrophobicContact CG-CB 4.18Å; W106-L450 HydrophobicContact CH2-CD1 4.34Å; W106-L450 HydrophobicContact CH2-CD2 4.03Å; W106-L450 HydrophobicContact CZ2-CD2 3.91Å; W106-L450 HydrophobicContact CZ3-CD1 3.9Å; W106-L450 HydrophobicContact CZ3-CD2 4.4Å; E445-L450 HydrophobicContact CG-CD2 4.16Å; N447-L450 HydrophobicContact CB-CB 4.31Å; N447-L450 WeakPolarHBondContact O-CB 3.33Å; N447-L450 PolarHBondContact O-N 3.02Å; P448-L450 PolarHBondContact O-N 3.05Å; L450-P453 VanDerWaalsContact O-CD 3.29Å; L450-P453 WeakPolarHBondContact O-CD 3.5Å; L450-P453 VanDerWaalsContact O-CG 3.28Å; L450-P453 WeakPolarHBondContact O-CG 3.17Å; L450-I454 HydrophobicContact CD1-CD1 3.7Å; L450-I454 HydrophobicContact CG-CD1 4.22Å; L450-I454 WeakPolarHBondContact O-CG1 3.28Å
451L95.7Very high94.5Very high29 Ų2943.6 Ų43.615%0.15224%0.24CC..Hα-helixtrans-69-42.1-172.2-62.4171.2000112.5L368 E445 N447 P448 I454 K455L368-L451 HydrophobicContact CB-CD2 4.12Å; L368-L451 HydrophobicContact CD2-CB 3.98Å; L368-L451 HydrophobicContact CD2-CD2 3.28Å; L368-L451 HydrophobicContact CD2-CG 4.21Å; L368-L451 HydrophobicContact CG-CD2 4.29Å; E445-L451 HydrophobicContact CG-CD2 3.87Å; E445-L451 WeakPolarHBondContact O-CD2 3.48Å; E445-L451 VanDerWaalsContact O-CG 3.24Å; E445-L451 WeakPolarHBondContact O-CG 3.31Å; N447-L451 WeakPolarHBondContact O-CG 3.31Å; N447-L451 PolarHBondContact O-N 2.87Å; P448-L451 PolarHBondContact O-N 3.16Å; L451-I454 PolarHBondContact O-N 2.91Å; L451-K455 WeakPolarHBondContact O-CG 3.31Å; L451-K455 PolarHBondContact O-N 3.47Å
452N96.7Very high95.1Very high63 Ų6345.5 Ų45.534%0.33725%0.248SC..Hα-helixtrans-61.1-49.8-176.7-68.5-19000113.7P448 I454 K455 R456P448-N452 WeakPolarHBondContact O-CB 3.48Å; P448-N452 PolarHBondContact O-N 3.02Å; P448-N452 PolarHBondContact O-ND2 2.96Å; N452-I454 VanDerWaalsContact C-N 3.32Å; N452-I454 PolarHBondContact O-N 2.75Å; N452-K455 PolarHBondContact O-N 2.94Å; N452-R456 WeakPolarHBondContact O-CG 3.4Å; N452-R456 PolarHBondContact O-N 3.5Å
453P97Very high95.5Very high0 Ų044.9 Ų44.90%024%0.239CC..Hα-helixtrans-63.4-37.6178.224.1-33.9000112.5S99 E102 F103 M341 T449 L450 R456 L457S99-P453 WeakPolarHBondContact O-CB 3.26Å; E102-P453 HydrophobicContact CB-CB 4.47Å; E102-P453 HydrophobicContact CB-CG 4.42Å; E102-P453 HydrophobicContact CG-CG 4.35Å; F103-P453 HydrophobicContact CB-CG 4.12Å; M341-P453 HydrophobicContact CE-CB 4.15Å; M341-P453 HydrophobicContact SD-CB 4.15Å; T449-P453 WeakPolarHBondContact O-CD 3.29Å; T449-P453 WeakPolarHBondContact O-CG 3.46Å; L450-P453 VanDerWaalsContact O-CD 3.29Å; L450-P453 WeakPolarHBondContact O-CD 3.5Å; L450-P453 VanDerWaalsContact O-CG 3.28Å; L450-P453 WeakPolarHBondContact O-CG 3.17Å; P453-R456 PolarHBondContact O-N 3.38Å; P453-L457 PolarHBondContact O-N 3.37Å
454I96.8Very high95.6Very high1 Ų143.3 Ų43.31%0.00523%0.233CC..Hα-helixtrans-63.2-47.1175.5-66.2173.3000110.6M341 L368 T369 S372 L450 L451 N452 R456 L457 A458M341-I454 HydrophobicContact CB-CG1 4.39Å; M341-I454 HydrophobicContact CE-CB 4.5Å; M341-I454 HydrophobicContact CE-CG1 3.88Å; L368-I454 HydrophobicContact CD2-CG2 4.4Å; T369-I454 HydrophobicContact CG2-CD1 3.72Å; S372-I454 VanDerWaalsContact CB-CG2 3.44Å; S372-I454 WeakPolarHBondContact OG-CG2 3.49Å; L450-I454 HydrophobicContact CD1-CD1 3.7Å; L450-I454 HydrophobicContact CG-CD1 4.22Å; L450-I454 WeakPolarHBondContact O-CG1 3.28Å; L451-I454 PolarHBondContact O-N 2.91Å; N452-I454 VanDerWaalsContact C-N 3.32Å; N452-I454 PolarHBondContact O-N 2.75Å; I454-R456 VanDerWaalsContact C-N 3.33Å; I454-R456 PolarHBondContact O-N 2.89Å; I454-L457 PolarHBondContact O-N 3.1Å; I454-A458 VanDerWaalsContact O-CB 3.29Å; I454-A458 WeakPolarHBondContact O-CB 3.31Å; I454-A458 PolarHBondContact O-N 2.92Å
455K96.9Very high95.6Very high109 Ų10938.9 Ų38.947%0.47421%0.209SC..Hα-helixtrans-59.6-42.3176.6-73.7176.4-174.8177.70112.3L368 L451 N452 A458 A459L368-K455 HydrophobicContact CD1-CG 4.25Å; L368-K455 HydrophobicContact CD2-CG 3.96Å; L451-K455 WeakPolarHBondContact O-CG 3.31Å; L451-K455 PolarHBondContact O-N 3.47Å; N452-K455 PolarHBondContact O-N 2.94Å; K455-A458 PolarHBondContact O-N 3.49Å; K455-A459 PolarHBondContact O-N 3.2Å
456R97.3Very high95.6Very high44 Ų4442.6 Ų42.617%0.16623%0.226CC..Hα-helixtrans-63.6-46177.8-73.1-168.8-54.7-994.4112.1F95 E102 N452 P453 I454 A459 G460F95-R456 HydrophobicContact CZ-CB 3.94Å; E102-R456 IonicContact OE2-CZ 3.14Å; E102-R456 IonicContact OE2-NH1 2.73Å; E102-R456 PolarHBondContact OE2-NH1 3.1Å; E102-R456 IonicContact OE2-NH2 2.83Å; E102-R456 PolarHBondContact OE2-NH2 3.41Å; N452-R456 WeakPolarHBondContact O-CG 3.4Å; N452-R456 PolarHBondContact O-N 3.5Å; P453-R456 PolarHBondContact O-N 3.38Å; I454-R456 VanDerWaalsContact C-N 3.33Å; I454-R456 PolarHBondContact O-N 2.89Å; R456-A459 PolarHBondContact O-N 2.94Å; R456-G460 PolarHBondContact O-N 3.36Å
457L96.8Very high95.6Very high0 Ų040.7 Ų40.70%022%0.215CC..Hα-helixtrans-70.1-32.4176.9-76.7177.5000112.7F95 V96 S99 F334 A337 M338 M341 P453 I454 G460 S461F95-L457 HydrophobicContact CD1-CD2 4.11Å; F95-L457 HydrophobicContact CE1-CD2 3.91Å; V96-L457 HydrophobicContact CG2-CD2 4.12Å; S99-L457 WeakPolarHBondContact OG-CD1 3.29Å; S99-L457 WeakPolarHBondContact OG-CG 3.39Å; F334-L457 HydrophobicContact CD1-CD2 4.04Å; A337-L457 HydrophobicContact CB-CD1 3.66Å; A337-L457 HydrophobicContact CB-CD2 4.43Å; M338-L457 HydrophobicContact CB-CB 4.08Å; M338-L457 HydrophobicContact CG-CB 4.44Å; M341-L457 HydrophobicContact CE-CB 4.26Å; M341-L457 HydrophobicContact CE-CD1 3.17Å; M341-L457 HydrophobicContact CE-CG 4.09Å; M341-L457 HydrophobicContact SD-CD1 3.85Å; P453-L457 PolarHBondContact O-N 3.37Å; I454-L457 PolarHBondContact O-N 3.1Å; L457-G460 CarbonylContact O-C 3.6Å; L457-G460 PolarHBondContact O-N 2.92Å; L457-S461 WeakPolarHBondContact O-CB 3.45Å; L457-S461 PolarHBondContact O-N 3.1Å; L457-S461 PolarHBondContact O-OG 3.07Å
458A96.8Very high95.4Very high13 Ų1338.9 Ų38.911%0.10721%0.205CC..Hα-helixtrans-62-48.2172.200000111.1M338 I454 K455 G460 S461 L462M338-A458 WeakPolarHBondContact SD-CA 3.44Å; M338-A458 HydrophobicContact SD-CB 3.76Å; I454-A458 VanDerWaalsContact O-CB 3.29Å; I454-A458 WeakPolarHBondContact O-CB 3.31Å; I454-A458 PolarHBondContact O-N 2.92Å; K455-A458 PolarHBondContact O-N 3.49Å; A458-G460 VanDerWaalsContact C-N 3.29Å; A458-G460 PolarHBondContact O-N 3.48Å; A458-S461 WeakPolarHBondContact CA-OG 3.49Å; A458-S461 PolarHBondContact O-N 3.14Å; A458-S461 VanDerWaalsContact O-N 3.12Å; A458-S461 PolarHBondContact O-OG 2.95Å; A458-L462 WeakPolarHBondContact O-CG 3.22Å; A458-L462 PolarHBondContact O-N 3.1Å
459A96.6Very high95.2Very high46 Ų4637.2 Ų37.238%0.3819%0.193SC..Hα-helixtrans-58.4-41.7173.200000111.9K455 R456 L462 F463K455-A459 PolarHBondContact O-N 3.2Å; R456-A459 PolarHBondContact O-N 2.94Å; A459-L462 PolarHBondContact O-N 3.37Å; A459-F463 WeakPolarHBondContact O-CD2 3.35Å; A459-F463 PolarHBondContact O-N 2.87Å
460G95.3Very high94.9Very high8 Ų840.4 Ų40.48%0.08221%0.209CC..Hα-helixtrans-58.1-47172.300000112.7T387 R456 L457 A458 L462 F463 A464T387-G460 VanDerWaalsContact CG2-O 3.27Å; T387-G460 WeakPolarHBondContact CG2-O 3.2Å; R456-G460 PolarHBondContact O-N 3.36Å; L457-G460 CarbonylContact O-C 3.6Å; L457-G460 PolarHBondContact O-N 2.92Å; A458-G460 VanDerWaalsContact C-N 3.29Å; A458-G460 PolarHBondContact O-N 3.48Å; G460-L462 PolarHBondContact O-N 2.86Å; G460-F463 PolarHBondContact O-N 3.4Å; G460-A464 WeakPolarHBondContact O-CB 3.34Å; G460-A464 PolarHBondContact O-N 2.8Å
461S95.4Very high94.5Very high0 Ų044.7 Ų44.70%023%0.232CC..Hα-helixtrans-71.1-8.9179.170.90000115.3M338 I375 T387 L457 A458M338-S461 WeakPolarHBondContact CE-OG 3.48Å; I375-S461 WeakPolarHBondContact CG2-OG 3.18Å; T387-S461 VanDerWaalsContact CG2-C 3.44Å; T387-S461 VanDerWaalsContact CG2-O 3.28Å; T387-S461 WeakPolarHBondContact CG2-O 3.48Å; T387-S461 PolarHBondContact N-O 3.05Å; T387-S461 PolarHBondContact OG1-O 3.13Å; L457-S461 WeakPolarHBondContact O-CB 3.45Å; L457-S461 PolarHBondContact O-N 3.1Å; L457-S461 PolarHBondContact O-OG 3.07Å; A458-S461 WeakPolarHBondContact CA-OG 3.49Å; A458-S461 PolarHBondContact O-N 3.14Å; A458-S461 VanDerWaalsContact O-N 3.12Å; A458-S461 PolarHBondContact O-OG 2.95Å
462L95.9Very high94Very high60 Ų6044.8 Ų44.831%0.31423%0.232SC..Hα-helixtrans-94.2-51.3169.8-66.7172000110.8I375 L386 A458 A459 G460I375-L462 HydrophobicContact CG2-CD2 3.91Å; I375-L462 HydrophobicContact CG2-CG 4.3Å; L386-L462 HydrophobicContact CD2-CD2 3.42Å; L386-L462 VanDerWaalsContact CD2-CD2 3.42Å; A458-L462 WeakPolarHBondContact O-CG 3.22Å; A458-L462 PolarHBondContact O-N 3.1Å; A459-L462 PolarHBondContact O-N 3.37Å; G460-L462 PolarHBondContact O-N 2.86Å
463F95.6Very high93.1Very high129 Ų12943.7 Ų43.757%0.56623%0.23SC*.Hα-helixtrans-105.7-26.8-165.4-62-68.8000115.3A459 G460 G465 F466 L467A459-F463 WeakPolarHBondContact O-CD2 3.35Å; A459-F463 PolarHBondContact O-N 2.87Å; G460-F463 PolarHBondContact O-N 3.4Å; F463-G465 PolarHBondContact O-N 3.49Å; F463-F466 PolarHBondContact O-N 3.37Å; F463-L467 HydrophobicContact CB-CD1 4.37Å; F463-L467 WeakPolarHBondContact O-CG 3.29Å; F463-L467 PolarHBondContact O-N 2.97Å
464A93.6Very high91.8Very high11 Ų1148.8 Ų48.89%0.09126%0.263CS..Hα-helixtrans-62.8-41.9-168.700000112.5F334 T387 G460 F466 L467 I468F334-A464 HydrophobicContact CD2-CB 3.94Å; F334-A464 HydrophobicContact CE1-CB 4.21Å; F334-A464 HydrophobicContact CE2-CB 3.59Å; F334-A464 HydrophobicContact CG-CB 4.42Å; F334-A464 HydrophobicContact CZ-CB 3.74Å; T387-A464 HydrophobicContact CG2-CB 4.46Å; G460-A464 WeakPolarHBondContact O-CB 3.34Å; G460-A464 PolarHBondContact O-N 2.8Å; A464-F466 PolarHBondContact O-N 3.23Å; A464-L467 PolarHBondContact O-N 3.19Å; A464-I468 HydrophobicContact CB-CD1 4.31Å; A464-I468 VanDerWaalsContact O-CB 3.23Å; A464-I468 WeakPolarHBondContact O-CB 3.05Å; A464-I468 WeakPolarHBondContact O-CD1 3.36Å; A464-I468 WeakPolarHBondContact O-CG1 3.34Å; A464-I468 PolarHBondContact O-N 2.99Å
465G92.4Very high90.5Very high0 Ų051.8 Ų51.80%029%0.288CS..Hα-helixtrans-57.9-47.8176.500000112.6F463 I468 T469F463-G465 PolarHBondContact O-N 3.49Å; G465-I468 PolarHBondContact O-N 3.11Å; G465-T469 WeakPolarHBondContact O-CG2 3.08Å; G465-T469 PolarHBondContact O-N 3.25Å; G465-T469 PolarHBondContact O-OG1 3.47Å
466F93.8Very high89.2Confident90 Ų9047.5 Ų47.540%0.39527%0.271SS..Hα-helixtrans-61.4-46.3175.8174-106000112.3Y390 F463 A464 T469 N470Y390-F466 HydrophobicContact CE1-CB 4.41Å; Y390-F466 HydrophobicContact CE1-CD2 4.1Å; Y390-F466 HydrophobicContact CE2-CB 3.75Å; Y390-F466 AromaticContact CZ-CD2 3.77Å; Y390-F466 WeakPolarHBondContact OH-CD2 3.46Å; F463-F466 PolarHBondContact O-N 3.37Å; A464-F466 PolarHBondContact O-N 3.23Å; F466-T469 PolarHBondContact O-OG1 2.84Å; F466-T469 VanDerWaalsContact O-OG1 3.11Å; F466-N470 WeakPolarHBondContact CD2-ND2 3.24Å; F466-N470 WeakPolarHBondContact CE1-ND2 3.39Å; F466-N470 WeakPolarHBondContact CE2-ND2 3.21Å; F466-N470 WeakPolarHBondContact CZ-ND2 3.45Å; F466-N470 WeakPolarHBondContact O-CB 3.41Å; F466-N470 PolarHBondContact O-N 2.81Å; F466-N470 VanDerWaalsContact O-N 3.16Å; F466-N470 PolarHBondContact O-ND2 3.37Å
467L93.5Very high87.9Confident93 Ų9351 Ų5149%0.48730%0.3SS..Hα-helixtrans-63.4-42.9178.5-71172.9000111.5F463 A464 N471F463-L467 HydrophobicContact CB-CD1 4.37Å; F463-L467 WeakPolarHBondContact O-CG 3.29Å; F463-L467 PolarHBondContact O-N 2.97Å; A464-L467 PolarHBondContact O-N 3.19Å; L467-N471 WeakPolarHBondContact O-CB 3.38Å; L467-N471 PolarHBondContact O-N 3.01Å; L467-N471 PolarHBondContact O-ND2 2.8Å
468I92Very high86.7Confident21 Ų2156.6 Ų56.611%0.10833%0.325CS..Hα-helixtrans-65.7-52.2-179.9-70165.6000109.1L327 C330 F334 A464 G465 N470 N471 I472L327-I468 HydrophobicContact CD1-CG2 3.61Å; C330-I468 HydrophobicContact CB-CD1 4.29Å; F334-I468 HydrophobicContact CE2-CD1 4.36Å; A464-I468 HydrophobicContact CB-CD1 4.31Å; A464-I468 VanDerWaalsContact O-CB 3.23Å; A464-I468 WeakPolarHBondContact O-CB 3.05Å; A464-I468 WeakPolarHBondContact O-CD1 3.36Å; A464-I468 WeakPolarHBondContact O-CG1 3.34Å; A464-I468 PolarHBondContact O-N 2.99Å; G465-I468 PolarHBondContact O-N 3.11Å; I468-N470 VanDerWaalsContact C-N 3.31Å; I468-N470 PolarHBondContact O-N 2.95Å; I468-N471 PolarHBondContact O-N 2.91Å; I468-I472 HydrophobicContact CB-CD1 4.47Å; I468-I472 HydrophobicContact CG2-CD1 3.26Å; I468-I472 HydrophobicContact CG2-CG1 4.03Å; I468-I472 VanDerWaalsContact O-CD1 3.29Å; I468-I472 WeakPolarHBondContact O-CD1 3.23Å; I468-I472 WeakPolarHBondContact O-CG1 3.07Å; I468-I472 PolarHBondContact O-N 2.67Å
469T90.3Very high85.5Confident37 Ų3761.2 Ų61.223%0.22734%0.344CS..Hα-helixtrans-60.6-36.4-177.849.40000114.3L327 Y390 G465 F466L327-T469 HydrophobicContact CD1-CG2 3.81Å; L327-T469 HydrophobicContact CD2-CG2 3.84Å; L327-T469 HydrophobicContact CG-CG2 4.42Å; Y390-T469 HydrophobicContact CD1-CG2 4.07Å; Y390-T469 HydrophobicContact CG-CG2 4.15Å; G465-T469 WeakPolarHBondContact O-CG2 3.08Å; G465-T469 PolarHBondContact O-N 3.25Å; G465-T469 PolarHBondContact O-OG1 3.47Å; F466-T469 PolarHBondContact O-OG1 2.84Å; F466-T469 VanDerWaalsContact O-OG1 3.11Å
470N89.5Confident84.5Confident94 Ų9465.1 Ų65.150%0.50336%0.364SS..Hα-helixtrans-76-26.7-178.1-66.7-10000113.1F466 I468F466-N470 WeakPolarHBondContact CD2-ND2 3.24Å; F466-N470 WeakPolarHBondContact CE1-ND2 3.39Å; F466-N470 WeakPolarHBondContact CE2-ND2 3.21Å; F466-N470 WeakPolarHBondContact CZ-ND2 3.45Å; F466-N470 WeakPolarHBondContact O-CB 3.41Å; F466-N470 PolarHBondContact O-N 2.81Å; F466-N470 VanDerWaalsContact O-N 3.16Å; F466-N470 PolarHBondContact O-ND2 3.37Å; I468-N470 VanDerWaalsContact C-N 3.31Å; I468-N470 PolarHBondContact O-N 2.95Å
471N87.7Confident84.1Confident90 Ų9070.4 Ų70.448%0.48139%0.394SS..Hα-helixtrans-94.8-18.8-176.1-65.9-27.4000112.7M55 L467 I468M55-N471 HydrophobicContact CE-CB 3.33Å; M55-N471 HydrophobicContact SD-CB 3.74Å; L467-N471 WeakPolarHBondContact O-CB 3.38Å; L467-N471 PolarHBondContact O-N 3.01Å; L467-N471 PolarHBondContact O-ND2 2.8Å; I468-N471 PolarHBondContact O-N 2.91Å
472I84.3Confident83.9Confident31 Ų3172 Ų7216%0.15940%0.403CS..SBendtrans-69.1133.6177.5-70.2161.2000110.3Y84 M88 L327 I468Y84-I472 HydrophobicContact CE2-CB 4.31Å; Y84-I472 HydrophobicContact CE2-CD1 4.45Å; Y84-I472 HydrophobicContact CE2-CG1 3.86Å; Y84-I472 HydrophobicContact CE2-CG2 3.64Å; Y84-I472 WeakPolarHBondContact OH-CD1 3.4Å; Y84-I472 WeakPolarHBondContact OH-CG1 3.47Å; M88-I472 HydrophobicContact CE-CG1 3.62Å; L327-I472 HydrophobicContact CD1-CD1 3.4Å; L327-I472 VanDerWaalsContact CD1-CD1 3.4Å; I468-I472 HydrophobicContact CB-CD1 4.47Å; I468-I472 HydrophobicContact CG2-CD1 3.26Å; I468-I472 HydrophobicContact CG2-CG1 4.03Å; I468-I472 VanDerWaalsContact O-CD1 3.29Å; I468-I472 WeakPolarHBondContact O-CD1 3.23Å; I468-I472 WeakPolarHBondContact O-CG1 3.07Å; I468-I472 PolarHBondContact O-N 2.67Å
473S76.7Confident83.8Confident40 Ų4071.9 Ų71.928%0.2841%0.405SS..  trans-65.1130.916741.50000110.6D58 A475D58-S473 PolarHBondContact OD1-OG 3.47Å; S473-A475 PolarHBondContact O-N 2.88Å
474P71.4Confident83.7Confident108 Ų10872 Ų7270%0.70141%0.411SS*.  trans-68.299.6-17626.6-33.3000110.6
475A69.2Low83.7Confident63 Ų6377.9 Ų77.952%0.52144%0.436SS..  trans-83.2-29.7-177.600000113.6S473S473-A475 PolarHBondContact O-N 2.88Å
476S69.1Low83.7Confident19 Ų1979.8 Ų79.813%0.13345%0.446CS..SBendtrans-120.7141.6172.559.50000110.7Q321 F478Q321-S476 PolarHBondContact OE1-OG 3.38Å; S476-F478 PolarHBondContact O-N 3.43Å; S476-F478 VanDerWaalsContact O-N 3.12Å
477P70.3Confident83.7Confident119 Ų11979 Ų7977%0.77344%0.442SS*.  trans-64.7117.2178.226.1-33000109.3Q479P477-Q479 PolarHBondContact O-N 3.02Å
478F70.4Confident83.7Confident117 Ų11778.6 Ų78.651%0.51344%0.441SS..  trans-66.7127169.9-66.1-69000109.3L324 S476 T480L324-F478 HydrophobicContact CD2-CE1 4.2Å; S476-F478 PolarHBondContact O-N 3.43Å; S476-F478 VanDerWaalsContact O-N 3.12Å; F478-T480 PolarHBondContact O-N 3.32Å
479Q72.1Confident83.8Confident109 Ų10978.9 Ų78.951%0.50944%0.443SS..  trans-76.1108.6173-67.3177.7-13.900108.6P477P477-Q479 PolarHBondContact O-N 3.02Å
480T76.6Confident84Confident129 Ų12977.4 Ų77.479%0.79144%0.435SS*.  trans-90.2-16-175.252.30000113.6F478F478-T480 PolarHBondContact O-N 3.32Å
481T87Confident84.2Confident118 Ų11876.9 Ų76.972%0.72443%0.432SS*.  trans-99.894.3-178.555.60000111.1
482I90.8Very high84.6Confident35 Ų3575.2 Ų75.218%0.17943%0.43CS..  trans-128.6135.7-179.1-55.8178.1000108.5E397 M401 L486 K487E397-I482 HydrophobicContact CB-CD1 3.95Å; E397-I482 HydrophobicContact CG-CD1 3.9Å; M401-I482 HydrophobicContact CG-CD1 4.17Å; M401-I482 HydrophobicContact CG-CG1 4.04Å; M401-I482 HydrophobicContact CG-CG2 4.46Å; M401-I482 HydrophobicContact SD-CB 4.5Å; M401-I482 HydrophobicContact SD-CG1 4.22Å; M401-I482 HydrophobicContact SD-CG2 4.04Å; I482-L486 HydrophobicContact CG2-CB 3.6Å; I482-K487 HydrophobicContact CG2-CB 4.15Å
483P93.6Very high85.2Confident57 Ų5775.3 Ų75.337%0.3743%0.432SS..  trans-66.2146.2174.729.7-35.7000110.7H485 L486 K487P483-H485 PolarHBondContact O-N 2.78Å; P483-H485 VanDerWaalsContact O-N 3.08Å; P483-L486 HydrophobicContact CG-CB 3.98Å; P483-L486 HydrophobicContact CG-CD1 3.62Å; P483-L486 HydrophobicContact CG-CG 3.8Å; P483-L486 PolarHBondContact O-N 3.41Å; P483-K487 PolarHBondContact O-N 2.86Å
484L93.4Very high86.1Confident131 Ų13174.3 Ų74.369%0.68643%0.425SS*.Hα-helixtrans-52.6-39.9-171.6-176.667.7000113.5L486 K487 L488L484-L486 VanDerWaalsContact C-N 3.35Å; L484-L486 PolarHBondContact O-N 3.21Å; L484-K487 PolarHBondContact O-N 3.27Å; L484-L488 HydrophobicContact CD1-CD1 3.85Å; L484-L488 HydrophobicContact CD1-CG 4.18Å; L484-L488 HydrophobicContact CG-CD1 3.98Å; L484-L488 PolarHBondContact O-N 2.97Å
485H93.6Very high87.2Confident135 Ų13574.9 Ų74.963%0.62542%0.417SS*.Hα-helixtrans-64-38.4179.968.9-85.7000112.3P483 T489P483-H485 PolarHBondContact O-N 2.78Å; P483-H485 VanDerWaalsContact O-N 3.08Å; H485-T489 WeakPolarHBondContact O-CG2 3.31Å; H485-T489 PolarHBondContact O-N 3.43Å
486L92.5Very high88.5Confident39 Ų3977 Ų7720%0.20442%0.418CS..Hα-helixtrans-73-36.8175.9-69.6-177.6000111.9N400 M401 I482 P483 L484 L488 T489N400-L486 HydrophobicContact CB-CD2 4.33Å; M401-L486 HydrophobicContact SD-CD1 3.76Å; I482-L486 HydrophobicContact CG2-CB 3.6Å; P483-L486 HydrophobicContact CG-CB 3.98Å; P483-L486 HydrophobicContact CG-CD1 3.62Å; P483-L486 HydrophobicContact CG-CG 3.8Å; P483-L486 PolarHBondContact O-N 3.41Å; L484-L486 VanDerWaalsContact C-N 3.35Å; L484-L486 PolarHBondContact O-N 3.21Å; L486-L488 VanDerWaalsContact C-N 3.32Å; L486-L488 PolarHBondContact O-N 3.38Å; L486-T489 HydrophobicContact CD2-CG2 4.38Å; L486-T489 PolarHBondContact O-N 3.33Å; L486-T489 PolarHBondContact O-OG1 2.93Å
487K93.2Very high89.7Confident73 Ų7376.1 Ų76.132%0.31741%0.412SS..Hα-helixtrans-65.3-36.9177.6-178.455.5175.1168.40112D393 E397 I482 P483 L484D393-K487 IonicContact OD2-NZ 2.78Å; D393-K487 PolarHBondContact OD2-NZ 3.48Å; E397-K487 HydrophobicContact CG-CD 4.18Å; E397-K487 VanDerWaalsContact OE1-CD 3.29Å; E397-K487 WeakPolarHBondContact OE1-CD 3.41Å; E397-K487 WeakPolarHBondContact OE1-CE 3.41Å; E397-K487 IonicContact OE1-NZ 2.9Å; E397-K487 PolarHBondContact OE1-NZ 3.31Å; E397-K487 IonicContact OE2-NZ 2.9Å; E397-K487 PolarHBondContact OE2-NZ 3.36Å; I482-K487 HydrophobicContact CG2-CB 4.15Å; P483-K487 PolarHBondContact O-N 2.86Å; L484-K487 PolarHBondContact O-N 3.27Å
488L94.2Very high90.9Very high86 Ų8673 Ų7345%0.4539%0.389SS..THydrogen-bonded Turntrans-87.41.4-179-65.4176.9000114L484 L486 A490 L491 A492L484-L488 HydrophobicContact CD1-CD1 3.85Å; L484-L488 HydrophobicContact CD1-CG 4.18Å; L484-L488 HydrophobicContact CG-CD1 3.98Å; L484-L488 PolarHBondContact O-N 2.97Å; L486-L488 VanDerWaalsContact C-N 3.32Å; L486-L488 PolarHBondContact O-N 3.38Å; L488-A490 PolarHBondContact O-N 3.08Å; L488-L491 PolarHBondContact O-N 2.89Å; L488-A492 VanDerWaalsContact O-CB 3.32Å; L488-A492 WeakPolarHBondContact O-CB 3.39Å; L488-A492 PolarHBondContact O-N 3.2Å
489T94.4Very high92.2Very high26 Ų2671 Ų7116%0.1638%0.383CS..Hα-helixtrans-60.4-45.8-174.5530000112.8N400 H485 L486 L491 A492 V493N400-T489 PolarHBondContact ND2-OG1 2.83Å; H485-T489 WeakPolarHBondContact O-CG2 3.31Å; H485-T489 PolarHBondContact O-N 3.43Å; L486-T489 HydrophobicContact CD2-CG2 4.38Å; L486-T489 PolarHBondContact O-N 3.33Å; L486-T489 PolarHBondContact O-OG1 2.93Å; T489-L491 VanDerWaalsContact C-N 3.33Å; T489-L491 PolarHBondContact O-N 3.5Å; T489-A492 PolarHBondContact O-N 3.48Å; T489-V493 VanDerWaalsContact O-CB 3.31Å; T489-V493 WeakPolarHBondContact O-CB 3.35Å; T489-V493 WeakPolarHBondContact O-CG2 3.19Å; T489-V493 PolarHBondContact O-N 2.79Å
490A93.8Very high93.3Very high7 Ų768.8 Ų68.86%0.05838%0.377CS..Hα-helixtrans-61.5-44.8-176.200000111.1D393 I396 L488 T494D393-A490 WeakPolarHBondContact OD1-CB 3.21Å; I396-A490 HydrophobicContact CB-CB 4.14Å; I396-A490 HydrophobicContact CD1-CB 3.52Å; I396-A490 HydrophobicContact CG1-CB 4.44Å; I396-A490 HydrophobicContact CG2-CB 4.07Å; L488-A490 PolarHBondContact O-N 3.08Å; A490-T494 WeakPolarHBondContact O-CB 3.35Å; A490-T494 WeakPolarHBondContact O-CG2 3.46Å; A490-T494 PolarHBondContact O-N 2.65Å; A490-T494 PolarHBondContact O-OG1 2.85Å
491L94.8Very high94.1Very high82 Ų8263 Ų6343%0.42934%0.343SS..Hα-helixtrans-69.1-40.9178.6-164.9141.9000112P384 L488 T489 T494 F495P384-L491 HydrophobicContact CG-CD1 4.29Å; L488-L491 PolarHBondContact O-N 2.89Å; T489-L491 VanDerWaalsContact C-N 3.33Å; T489-L491 PolarHBondContact O-N 3.5Å; L491-T494 WeakPolarHBondContact CA-OG1 3.38Å; L491-T494 PolarHBondContact O-OG1 3.32Å; L491-F495 WeakPolarHBondContact O-CB 3.42Å; L491-F495 PolarHBondContact O-N 3.23Å
492A95.6Very high94.5Very high55 Ų5560.9 Ų60.946%0.45533%0.326SS..Hα-helixtrans-62.9-45.4177.200000112L488 T489 F495 L496L488-A492 VanDerWaalsContact O-CB 3.32Å; L488-A492 WeakPolarHBondContact O-CB 3.39Å; L488-A492 PolarHBondContact O-N 3.2Å; T489-A492 PolarHBondContact O-N 3.48Å; A492-F495 PolarHBondContact O-N 3.29Å; A492-L496 WeakPolarHBondContact O-CB 3.32Å; A492-L496 PolarHBondContact O-N 3Å
493V96Very high94.7Very high33 Ų3364.2 Ų64.220%0.235%0.345CS..Hα-helixtrans-68.5-39.3-178.5173.90000111.5L413 T416 T489 L496 G497L413-V493 WeakPolarHBondContact O-CG1 3.46Å; T416-V493 VanDerWaalsContact OG1-CG1 3.29Å; T416-V493 WeakPolarHBondContact OG1-CG1 3.48Å; T489-V493 VanDerWaalsContact O-CB 3.31Å; T489-V493 WeakPolarHBondContact O-CB 3.35Å; T489-V493 WeakPolarHBondContact O-CG2 3.19Å; T489-V493 PolarHBondContact O-N 2.79Å; V493-L496 PolarHBondContact O-N 3.09Å; V493-G497 PolarHBondContact O-N 2.8Å; V493-G497 VanDerWaalsContact O-N 3.08Å
494T95.3Very high94.6Very high20 Ų2067 Ų6712%0.12336%0.356CS..Hα-helixtrans-66.7-41.7175.651.30000112A381 S420 A490 L491 G497 L498A381-T494 WeakPolarHBondContact O-CG2 3.26Å; S420-T494 VanDerWaalsContact CB-O 3.29Å; S420-T494 WeakPolarHBondContact CB-O 3.46Å; S420-T494 PolarHBondContact OG-O 2.81Å; A490-T494 WeakPolarHBondContact O-CB 3.35Å; A490-T494 WeakPolarHBondContact O-CG2 3.46Å; A490-T494 PolarHBondContact O-N 2.65Å; A490-T494 PolarHBondContact O-OG1 2.85Å; L491-T494 WeakPolarHBondContact CA-OG1 3.38Å; L491-T494 PolarHBondContact O-OG1 3.32Å; T494-G497 PolarHBondContact O-N 3.2Å; T494-L498 PolarHBondContact O-N 2.96Å
495F95.5Very high94.5Very high120 Ų12062.3 Ų62.353%0.52633%0.331SS..Hα-helixtrans-62.5-42174.8-172.8-109.5000112.2L491 A492 G497 L498 L499L491-F495 WeakPolarHBondContact O-CB 3.42Å; L491-F495 PolarHBondContact O-N 3.23Å; A492-F495 PolarHBondContact O-N 3.29Å; F495-G497 PolarHBondContact O-N 3.12Å; F495-L498 WeakPolarHBondContact O-CB 3.49Å; F495-L498 PolarHBondContact O-N 3.23Å; F495-L498 VanDerWaalsContact O-N 3.15Å; F495-L499 HydrophobicContact CD1-CD1 3.81Å; F495-L499 HydrophobicContact CD1-CG 4.26Å; F495-L499 HydrophobicContact CE1-CD1 3.38Å; F495-L499 HydrophobicContact CE1-CD2 4.38Å; F495-L499 HydrophobicContact CE1-CG 3.95Å; F495-L499 HydrophobicContact CZ-CD1 3.93Å; F495-L499 HydrophobicContact CZ-CD2 4.08Å; F495-L499 HydrophobicContact CZ-CG 4.08Å; F495-L499 PolarHBondContact O-N 3.18Å
496L95.8Very high94.3Very high106 Ų10663 Ų6356%0.55533%0.329SS*.Hα-helixtrans-61.6-43.3176.7-163.3153.5000111.7A492 V493 L498 L499 T500A492-L496 WeakPolarHBondContact O-CB 3.32Å; A492-L496 PolarHBondContact O-N 3Å; V493-L496 PolarHBondContact O-N 3.09Å; L496-L498 VanDerWaalsContact C-N 3.32Å; L496-L498 PolarHBondContact O-N 3.37Å; L496-L499 PolarHBondContact O-N 3.03Å; L496-T500 HydrophobicContact CD2-CG2 3.96Å; L496-T500 VanDerWaalsContact O-CG2 3.32Å; L496-T500 WeakPolarHBondContact O-CG2 3.48Å; L496-T500 PolarHBondContact O-N 2.93Å; L496-T500 PolarHBondContact O-OG1 3.4Å
497G95.8Very high94.2Very high1 Ų165.4 Ų65.41%0.0134%0.342CS..Hα-helixtrans-63.3-34.5174.200000113.7S417 S420 V493 T494 F495 T500 A501S417-G497 WeakPolarHBondContact O-CA 3.48Å; S420-G497 VanDerWaalsContact OG-CA 3.27Å; S420-G497 WeakPolarHBondContact OG-CA 2.97Å; V493-G497 PolarHBondContact O-N 2.8Å; V493-G497 VanDerWaalsContact O-N 3.08Å; T494-G497 PolarHBondContact O-N 3.2Å; F495-G497 PolarHBondContact O-N 3.12Å; G497-T500 WeakPolarHBondContact CA-OG1 3.39Å; G497-T500 PolarHBondContact O-OG1 3.4Å; G497-A501 WeakPolarHBondContact O-CB 3.48Å; G497-A501 PolarHBondContact O-N 2.99Å
498L95.5Very high94Very high54 Ų5466.6 Ų66.628%0.28336%0.356SS..Hα-helixtrans-67.4-47.5175178.1147.2000111.8S420 T424 T494 F495 L496 A501 L502S420-L498 PolarHBondContact OG-N 2.9Å; T424-L498 HydrophobicContact CG2-CB 4.16Å; T424-L498 HydrophobicContact CG2-CD1 3.89Å; T424-L498 HydrophobicContact CG2-CG 3.79Å; T494-L498 PolarHBondContact O-N 2.96Å; F495-L498 WeakPolarHBondContact O-CB 3.49Å; F495-L498 PolarHBondContact O-N 3.23Å; F495-L498 VanDerWaalsContact O-N 3.15Å; L496-L498 VanDerWaalsContact C-N 3.32Å; L496-L498 PolarHBondContact O-N 3.37Å; L498-A501 PolarHBondContact O-N 3.31Å; L498-L502 HydrophobicContact CD2-CD1 3.56Å; L498-L502 HydrophobicContact CD2-CG 4.49Å; L498-L502 HydrophobicContact CG-CD1 4.32Å; L498-L502 WeakPolarHBondContact O-CG 3.25Å; L498-L502 PolarHBondContact O-N 3.38Å; L498-L502 VanDerWaalsContact O-N 3.08Å
499L96Very high93.6Very high76 Ų7668.4 Ų68.440%0.39837%0.366SS..Hα-helixtrans-61.4-48.8178.8-71.5179.7000111.8F495 L496 A501 L502 D503F495-L499 HydrophobicContact CD1-CD1 3.81Å; F495-L499 HydrophobicContact CD1-CG 4.26Å; F495-L499 HydrophobicContact CE1-CD1 3.38Å; F495-L499 HydrophobicContact CE1-CD2 4.38Å; F495-L499 HydrophobicContact CE1-CG 3.95Å; F495-L499 HydrophobicContact CZ-CD1 3.93Å; F495-L499 HydrophobicContact CZ-CD2 4.08Å; F495-L499 HydrophobicContact CZ-CG 4.08Å; F495-L499 PolarHBondContact O-N 3.18Å; L496-L499 PolarHBondContact O-N 3.03Å; L499-A501 VanDerWaalsContact C-N 3.31Å; L499-A501 PolarHBondContact O-N 3.42Å; L499-L502 PolarHBondContact O-N 3.31Å; L499-L502 VanDerWaalsContact O-N 3.17Å; L499-D503 PolarHBondContact O-N 3.08Å
500T95Very high93.3Very high61 Ų6171.5 Ų71.537%0.37438%0.377SS..Hα-helixtrans-59.2-41.1179.650.30000112.2L496 G497 D503 L504L496-T500 HydrophobicContact CD2-CG2 3.96Å; L496-T500 VanDerWaalsContact O-CG2 3.32Å; L496-T500 WeakPolarHBondContact O-CG2 3.48Å; L496-T500 PolarHBondContact O-N 2.93Å; L496-T500 PolarHBondContact O-OG1 3.4Å; G497-T500 WeakPolarHBondContact CA-OG1 3.39Å; G497-T500 PolarHBondContact O-OG1 3.4Å; T500-D503 PolarHBondContact O-N 3.17Å; T500-L504 WeakPolarHBondContact O-CB 3.46Å; T500-L504 WeakPolarHBondContact O-CG 3.26Å; T500-L504 PolarHBondContact O-N 2.92Å
501A94.8Very high92.8Very high9 Ų980 Ų807%0.07442%0.421CS..Hα-helixtrans-69-36.4177.100000113.6A421 T424 G497 L498 L499 L504 N505A421-A501 HydrophobicContact CB-CB 4Å; A421-A501 WeakPolarHBondContact O-CB 3.23Å; T424-A501 WeakPolarHBondContact OG1-CB 3.49Å; G497-A501 WeakPolarHBondContact O-CB 3.48Å; G497-A501 PolarHBondContact O-N 2.99Å; L498-A501 PolarHBondContact O-N 3.31Å; L499-A501 VanDerWaalsContact C-N 3.31Å; L499-A501 PolarHBondContact O-N 3.42Å; A501-L504 PolarHBondContact O-N 3.42Å; A501-N505 WeakPolarHBondContact O-CB 3.27Å; A501-N505 PolarHBondContact O-N 3.43Å
502L94.2Very high92.4Very high72 Ų7283.7 Ų83.738%0.37743%0.433SS..Hα-helixtrans-62.6-46.2173.4-74.7169.4000111.3L428 L498 L499 N505 Y506L428-L502 HydrophobicContact CD1-CD2 3.75Å; L428-L502 HydrophobicContact CD2-CD2 4Å; L428-L502 HydrophobicContact CG-CD2 4.42Å; L498-L502 HydrophobicContact CD2-CD1 3.56Å; L498-L502 HydrophobicContact CD2-CG 4.49Å; L498-L502 HydrophobicContact CG-CD1 4.32Å; L498-L502 WeakPolarHBondContact O-CG 3.25Å; L498-L502 PolarHBondContact O-N 3.38Å; L498-L502 VanDerWaalsContact O-N 3.08Å; L499-L502 PolarHBondContact O-N 3.31Å; L499-L502 VanDerWaalsContact O-N 3.17Å; L502-N505 PolarHBondContact O-N 2.84Å; L502-Y506 PolarHBondContact O-N 2.8Å
503D94.8Very high91.9Very high106 Ų10690.7 Ų90.757%0.56746%0.459SS*.Hα-helixtrans-62.1-45.2177.6-75.9-11.3000111.5L499 T500 N505 Y506 L507L499-D503 PolarHBondContact O-N 3.08Å; T500-D503 PolarHBondContact O-N 3.17Å; D503-N505 VanDerWaalsContact C-N 3.32Å; D503-N505 PolarHBondContact O-N 3.41Å; D503-Y506 PolarHBondContact O-N 3.44Å; D503-L507 WeakPolarHBondContact O-CG 3.35Å; D503-L507 PolarHBondContact O-N 3.01Å
504L92.2Very high91.3Very high114 Ų11497.7 Ų97.760%0.59749%0.487SS*.Hα-helixtrans-59.9-41.3176.5-73.2173.4000111.9T500 A501 L507 T508T500-L504 WeakPolarHBondContact O-CB 3.46Å; T500-L504 WeakPolarHBondContact O-CG 3.26Å; T500-L504 PolarHBondContact O-N 2.92Å; A501-L504 PolarHBondContact O-N 3.42Å; L504-L507 WeakPolarHBondContact O-CB 3.47Å; L504-L507 PolarHBondContact O-N 3.24Å; L504-T508 PolarHBondContact O-N 2.91Å
505N90.9Very high90.9Very high33 Ų33101.6 Ų101.618%0.17652%0.515CS..Hα-helixtrans-71.2-32.8176.8-169.746.6000112.6L428 A501 L502 D503 L507 T508L428-N505 WeakPolarHBondContact CB-ND2 3.39Å; L428-N505 HydrophobicContact CD1-CB 3.97Å; A501-N505 WeakPolarHBondContact O-CB 3.27Å; A501-N505 PolarHBondContact O-N 3.43Å; L502-N505 PolarHBondContact O-N 2.84Å; D503-N505 VanDerWaalsContact C-N 3.32Å; D503-N505 PolarHBondContact O-N 3.41Å; N505-L507 VanDerWaalsContact C-N 3.29Å; N505-L507 PolarHBondContact O-N 2.87Å; N505-T508 PolarHBondContact O-N 3.49Å; N505-T508 PolarHBondContact O-OG1 3.43Å; N505-T508 PolarHBondContact OD1-OG1 3.25Å
506Y90.1Very high90.5Very high149 Ų14998.9 Ų98.958%0.58451%0.509SS*.Hα-helixtrans-65.2-36.7171.5-178.5-103.4000111.4L502 D503 T508 N509L502-Y506 PolarHBondContact O-N 2.8Å; D503-Y506 PolarHBondContact O-N 3.44Å; Y506-T508 VanDerWaalsContact C-N 3.31Å; Y506-T508 PolarHBondContact O-N 2.98Å; Y506-N509 PolarHBondContact O-N 2.81Å
507L90.4Very high90.4Very high91 Ų9199.6 Ų99.648%0.47651%0.513SS..Hα-helixtrans-65.4-31.1175-68.6175.4000113D503 L504 N505 N509 K510D503-L507 WeakPolarHBondContact O-CG 3.35Å; D503-L507 PolarHBondContact O-N 3.01Å; L504-L507 WeakPolarHBondContact O-CB 3.47Å; L504-L507 PolarHBondContact O-N 3.24Å; N505-L507 VanDerWaalsContact C-N 3.29Å; N505-L507 PolarHBondContact O-N 2.87Å; L507-N509 VanDerWaalsContact C-N 3.27Å; L507-N509 PolarHBondContact O-N 3.22Å; L507-K510 HydrophobicContact CD2-CD 4.01Å; L507-K510 WeakPolarHBondContact O-CB 3.34Å; L507-K510 PolarHBondContact O-N 3.45Å
508T88.4Confident90.2Very high98 Ų98104.7 Ų104.760%0.60155%0.547SS*.Hα-helixtrans-68.7-24.5177.552.20000113.4L504 N505 Y506 K510L504-T508 PolarHBondContact O-N 2.91Å; N505-T508 PolarHBondContact O-N 3.49Å; N505-T508 PolarHBondContact O-OG1 3.43Å; N505-T508 PolarHBondContact OD1-OG1 3.25Å; Y506-T508 VanDerWaalsContact C-N 3.31Å; Y506-T508 PolarHBondContact O-N 2.98Å; T508-K510 PolarHBondContact O-N 2.92Å
509N85.8Confident90.1Very high123 Ų123107 Ų10766%0.65856%0.564SS**THydrogen-bonded Turntrans-75.1-14.4175.2-67.3-16.1000112.7Y506 L507Y506-N509 PolarHBondContact O-N 2.81Å; L507-N509 VanDerWaalsContact C-N 3.27Å; L507-N509 PolarHBondContact O-N 3.22Å
510K87.7Confident90Very high91 Ų91107 Ų10740%0.39656%0.561SS.*SBendtrans-77.5137.6175.1-59.3-177.9-177.7178.20108.8L507 T508 K512L507-K510 HydrophobicContact CD2-CD 4.01Å; L507-K510 WeakPolarHBondContact O-CB 3.34Å; L507-K510 PolarHBondContact O-N 3.45Å; T508-K510 PolarHBondContact O-N 2.92Å; K510-K512 PolarHBondContact O-N 3.45Å
511L84.9Confident90Very high186 Ų186109 Ų10997%0.97456%0.562SS**SBendtrans-72.262.6176.8-63.9170.3000111.7
512K86.7Confident90Very high159 Ų159112.8 Ų112.869%0.69158%0.577SS**  trans-120.8105.9174.9-68.3-172.8179.2-1730109K510 K514K510-K512 PolarHBondContact O-N 3.45Å; K512-K514 PolarHBondContact O-N 3.14Å
513M84.3Confident90.1Very high202 Ų202109.8 Ų109.8100%0.99556%0.562SS**  trans-79.6118.1170.5-65.1-154.8-171.200109.5
514K83.3Confident90Very high180 Ų180107.2 Ų107.278%0.78355%0.548SS*.  trans-113.2143.9172.3-66.9-176.5178.3-177.20109.1K512K512-K514 PolarHBondContact O-N 3.14Å
515S86.4Confident90.1Very high102 Ų102106.4 Ų106.471%0.71354%0.543SS*.PPolyproline II helixtrans-67.2141.9169.349.70000110.3L517S515-L517 PolarHBondContact O-N 3.08Å
516P87.9Confident90.3Very high63 Ų63106.3 Ų106.341%0.40954%0.542SS..PPolyproline II helixtrans-64.7132.8174.827-34.4000110.4F520 Y521P516-F520 HydrophobicContact CB-CB 4.37Å; P516-F520 HydrophobicContact CB-CD1 3.66Å; P516-F520 HydrophobicContact CB-CE1 4.34Å; P516-F520 HydrophobicContact CB-CG 4.25Å; P516-Y521 HydrophobicContact CB-CE2 4.02Å; P516-Y521 HydrophobicContact CG-CE1 4.41Å; P516-Y521 HydrophobicContact CG-CE2 3.82Å; P516-Y521 WeakPolarHBondContact CG-OH 3.44Å
517L93.2Very high90.4Very high121 Ų12199.9 Ų99.963%0.63452%0.521SS*.PPolyproline II helixtrans-78.4161175.2-65.8167.4000111S515 T519 F520 Y521S515-L517 PolarHBondContact O-N 3.08Å; L517-T519 PolarHBondContact O-N 3.17Å; L517-T519 VanDerWaalsContact O-N 3.15Å; L517-F520 VanDerWaalsContact O-CB 3.32Å; L517-F520 WeakPolarHBondContact O-CB 3.28Å; L517-F520 PolarHBondContact O-N 3.14Å; L517-Y521 PolarHBondContact O-N 2.86Å
518C92.8Very high90.6Very high109 Ų10999.1 Ų99.174%0.73651%0.514SS*.Hα-helixtrans-55.1-33173.5-62.70000112.9F520 Y521 F522C518-F520 VanDerWaalsContact C-N 3.31Å; C518-F520 PolarHBondContact O-N 3.45Å; C518-Y521 PolarHBondContact O-N 3.3Å; C518-F522 PolarHBondContact O-N 2.93Å
519T93.1Very high90.9Very high102 Ų10297.9 Ų97.963%0.62650%0.499SS*.Hα-helixtrans-64.3-34.3175.552.90000112.8L517 S523L517-T519 PolarHBondContact O-N 3.17Å; L517-T519 VanDerWaalsContact O-N 3.15Å; T519-S523 PolarHBondContact O-N 2.95Å; T519-S523 VanDerWaalsContact O-N 3.15Å; T519-S523 PolarHBondContact O-OG 3.48Å; T519-S523 VanDerWaalsContact O-OG 3.08Å
520F93.6Very high91.4Very high77 Ų7793.3 Ų93.334%0.33848%0.476SS..Hα-helixtrans-67.3-44.3173.1178.4-96000110.7T294 P516 L517 C518 F522 S523 N524T294-F520 HydrophobicContact CG2-CD2 3.68Å; T294-F520 HydrophobicContact CG2-CE2 3.79Å; P516-F520 HydrophobicContact CB-CB 4.37Å; P516-F520 HydrophobicContact CB-CD1 3.66Å; P516-F520 HydrophobicContact CB-CE1 4.34Å; P516-F520 HydrophobicContact CB-CG 4.25Å; L517-F520 VanDerWaalsContact O-CB 3.32Å; L517-F520 WeakPolarHBondContact O-CB 3.28Å; L517-F520 PolarHBondContact O-N 3.14Å; C518-F520 VanDerWaalsContact C-N 3.31Å; C518-F520 PolarHBondContact O-N 3.45Å; F520-F522 PolarHBondContact O-N 3.45Å; F520-S523 PolarHBondContact O-N 2.83Å; F520-S523 PolarHBondContact O-OG 3.21Å; F520-N524 HydrophobicContact CE1-CB 4.42Å; F520-N524 VanDerWaalsContact O-CB 3.26Å; F520-N524 WeakPolarHBondContact O-CB 3.49Å; F520-N524 PolarHBondContact O-N 3.06Å
521Y93.8Very high91.7Very high102 Ų10291.4 Ų91.440%0.447%0.474SS..Hα-helixtrans-63.5-41.7176.2-70.3-62.3000112.6P516 L517 C518 S523 N524 M525P516-Y521 HydrophobicContact CB-CE2 4.02Å; P516-Y521 HydrophobicContact CG-CE1 4.41Å; P516-Y521 HydrophobicContact CG-CE2 3.82Å; P516-Y521 WeakPolarHBondContact CG-OH 3.44Å; L517-Y521 PolarHBondContact O-N 2.86Å; C518-Y521 PolarHBondContact O-N 3.3Å; Y521-S523 PolarHBondContact O-N 3.37Å; Y521-N524 PolarHBondContact O-N 3.13Å; Y521-M525 HydrophobicContact CD1-CE 4.38Å; Y521-M525 WeakPolarHBondContact O-CB 3.32Å; Y521-M525 PolarHBondContact O-N 2.92Å
522F95.6Very high92.2Very high89 Ų8987.3 Ų87.339%0.3945%0.452SS..Hα-helixtrans-57.9-49176.4178.1-94.3000112F287 C518 F520 L526 G527 F528F287-F522 HydrophobicContact CE2-CZ 4.3Å; C518-F522 PolarHBondContact O-N 2.93Å; F520-F522 PolarHBondContact O-N 3.45Å; F522-L526 PolarHBondContact O-N 2.91Å; F522-G527 VanDerWaalsContact CE2-CA 3.44Å; F522-G527 WeakPolarHBondContact O-CA 3.41Å; F522-G527 PolarHBondContact O-N 3.07Å; F522-F528 HydrophobicContact CB-CE2 4.37Å; F522-F528 HydrophobicContact CD2-CD2 4.26Å; F522-F528 HydrophobicContact CD2-CE2 4.28Å
523S95.7Very high92.5Very high8 Ų880.6 Ų80.66%0.05643%0.425CS..Hα-helixtrans-68.6-42179.4550000112.7V290 T294 T519 F520 Y521 L526V290-S523 WeakPolarHBondContact O-CB 3.11Å; T294-S523 WeakPolarHBondContact CG2-OG 3.04Å; T294-S523 VanDerWaalsContact OG1-C 3.25Å; T294-S523 WeakPolarHBondContact OG1-CB 3.5Å; T294-S523 PolarHBondContact OG1-OG 3.46Å; T519-S523 PolarHBondContact O-N 2.95Å; T519-S523 VanDerWaalsContact O-N 3.15Å; T519-S523 PolarHBondContact O-OG 3.48Å; T519-S523 VanDerWaalsContact O-OG 3.08Å; F520-S523 PolarHBondContact O-N 2.83Å; F520-S523 PolarHBondContact O-OG 3.21Å; Y521-S523 PolarHBondContact O-N 3.37Å; S523-L526 PolarHBondContact O-N 3Å
524N94.4Very high93Very high53 Ų5374 Ų7428%0.28339%0.391SS..Hα-helixtrans-70.3-38-177.3-169.621.2000112.1T294 Q295 F520 Y521 L526T294-N524 WeakPolarHBondContact OG1-CA 3.26Å; T294-N524 PolarHBondContact OG1-N 3.44Å; Q295-N524 PolarHBondContact NE2-O 3.31Å; F520-N524 HydrophobicContact CE1-CB 4.42Å; F520-N524 VanDerWaalsContact O-CB 3.26Å; F520-N524 WeakPolarHBondContact O-CB 3.49Å; F520-N524 PolarHBondContact O-N 3.06Å; Y521-N524 PolarHBondContact O-N 3.13Å; N524-L526 VanDerWaalsContact C-N 3.28Å; N524-L526 PolarHBondContact O-N 2.91Å
525M94.1Very high93.6Very high96 Ų9674.5 Ų74.547%0.47339%0.388SS..THydrogen-bonded Turntrans-9022.2178.4-61.2-167.3-179.900113.7Y521 G527 F528Y521-M525 HydrophobicContact CD1-CE 4.38Å; Y521-M525 WeakPolarHBondContact O-CB 3.32Å; Y521-M525 PolarHBondContact O-N 2.92Å; M525-G527 PolarHBondContact O-N 2.73Å; M525-F528 HydrophobicContact CB-CD1 3.84Å; M525-F528 HydrophobicContact CB-CE1 3.9Å; M525-F528 HydrophobicContact CG-CE1 4.2Å; M525-F528 WeakPolarHBondContact O-CA 3.44Å; M525-F528 PolarHBondContact O-N 3.27Å; M525-F528 HydrophobicContact SD-CD1 3.96Å; M525-F528 HydrophobicContact SD-CE1 3.52Å; M525-F528 VanDerWaalsContact SD-CE1 3.52Å
526L93.8Very high94Very high31 Ų3172.8 Ų72.816%0.16237%0.373CS..G310 helixtrans54.847.7174.2-51.9-177.1000113.1C291 Q295 F304 F522 S523 N524 F528 Y529 P530C291-L526 HydrophobicContact CB-CD2 3.81Å; Q295-L526 VanDerWaalsContact NE2-CD2 3.32Å; F304-L526 HydrophobicContact CE1-CD2 4.01Å; F304-L526 HydrophobicContact CE2-CD2 3.54Å; F304-L526 HydrophobicContact CZ-CD1 3.82Å; F304-L526 HydrophobicContact CZ-CD2 3.15Å; F304-L526 HydrophobicContact CZ-CG 4.08Å; F522-L526 PolarHBondContact O-N 2.91Å; S523-L526 PolarHBondContact O-N 3Å; N524-L526 VanDerWaalsContact C-N 3.28Å; N524-L526 PolarHBondContact O-N 2.91Å; L526-F528 PolarHBondContact O-N 3.46Å; L526-Y529 PolarHBondContact O-N 2.84Å; L526-Y529 VanDerWaalsContact O-N 3.11Å; L526-P530 HydrophobicContact CB-CG 4.07Å; L526-P530 HydrophobicContact CD1-CG 4.13Å; L526-P530 WeakPolarHBondContact O-CD 3.41Å
527G92.8Very high94.4Very high15 Ų1575 Ų7516%0.15538%0.381CS..G310 helixtrans63.320.8-178.100000114.5F522 M525 Y529F522-G527 VanDerWaalsContact CE2-CA 3.44Å; F522-G527 WeakPolarHBondContact O-CA 3.41Å; F522-G527 PolarHBondContact O-N 3.07Å; M525-G527 PolarHBondContact O-N 2.73Å; G527-Y529 PolarHBondContact O-N 3.48Å
528F95.3Very high94.5Very high75 Ų7572.2 Ų72.233%0.32937%0.37SS..G310 helixtrans56.510.4-169.9-51.6-73000114.1F522 M525 L526 S531 I532F522-F528 HydrophobicContact CB-CE2 4.37Å; F522-F528 HydrophobicContact CD2-CD2 4.26Å; F522-F528 HydrophobicContact CD2-CE2 4.28Å; M525-F528 HydrophobicContact CB-CD1 3.84Å; M525-F528 HydrophobicContact CB-CE1 3.9Å; M525-F528 HydrophobicContact CG-CE1 4.2Å; M525-F528 WeakPolarHBondContact O-CA 3.44Å; M525-F528 PolarHBondContact O-N 3.27Å; M525-F528 HydrophobicContact SD-CD1 3.96Å; M525-F528 HydrophobicContact SD-CE1 3.52Å; M525-F528 VanDerWaalsContact SD-CE1 3.52Å; L526-F528 PolarHBondContact O-N 3.46Å; F528-S531 VanDerWaalsContact C-OG 3.25Å; F528-S531 VanDerWaalsContact CA-OG 3.26Å; F528-S531 WeakPolarHBondContact CA-OG 3.32Å; F528-S531 PolarHBondContact O-N 3.47Å; F528-S531 PolarHBondContact O-OG 3.26Å; F528-I532 HydrophobicContact CB-CD1 3.97Å; F528-I532 HydrophobicContact CB-CG1 4.45Å; F528-I532 VanDerWaalsContact O-CG1 3.29Å; F528-I532 WeakPolarHBondContact O-CG1 3.28Å; F528-I532 PolarHBondContact O-N 3.24Å
529Y95Very high94.7Very high71 Ų7174.2 Ų74.228%0.27836%0.363SS..Hα-helixtrans-66.1-51.7-172.9-176.1-82000111.5G228 H230 P231 L526 G527 S531 I532 T533G228-Y529 PolarHBondContact O-OH 2.67Å; H230-Y529 AromaticContact CE1-CD1 3.66Å; H230-Y529 AromaticContact CE1-CG 3.78Å; P231-Y529 HydrophobicContact CG-CD1 3.41Å; P231-Y529 VanDerWaalsContact CG-CD1 3.41Å; P231-Y529 HydrophobicContact CG-CE1 3.5Å; P231-Y529 VanDerWaalsContact CG-CE1 3.5Å; L526-Y529 PolarHBondContact O-N 2.84Å; L526-Y529 VanDerWaalsContact O-N 3.11Å; G527-Y529 PolarHBondContact O-N 3.48Å; Y529-S531 VanDerWaalsContact C-N 3.34Å; Y529-S531 PolarHBondContact O-N 3.25Å; Y529-I532 PolarHBondContact O-N 3.41Å; Y529-T533 HydrophobicContact CD1-CG2 4.18Å; Y529-T533 HydrophobicContact CD2-CG2 4.09Å; Y529-T533 HydrophobicContact CE1-CG2 3.85Å; Y529-T533 WeakPolarHBondContact CE1-OG1 3.3Å; Y529-T533 HydrophobicContact CE2-CG2 3.76Å; Y529-T533 HydrophobicContact CG-CG2 4.28Å; Y529-T533 WeakPolarHBondContact O-CB 3.11Å; Y529-T533 WeakPolarHBondContact O-CG2 3.45Å; Y529-T533 PolarHBondContact O-N 2.84Å; Y529-T533 PolarHBondContact O-OG1 3.36Å
530P94.3Very high94.8Very high27 Ų2774.3 Ų74.318%0.17536%0.359CS..Hα-helixtrans-62.4-40.8176.4-22.235.4000112.2P231 L526 I532 H534P231-P530 HydrophobicContact CB-CG 4.27Å; P231-P530 HydrophobicContact CG-CG 4.47Å; L526-P530 HydrophobicContact CB-CG 4.07Å; L526-P530 HydrophobicContact CD1-CG 4.13Å; L526-P530 WeakPolarHBondContact O-CD 3.41Å; P530-I532 VanDerWaalsContact C-N 3.29Å; P530-I532 PolarHBondContact O-N 3.38Å; P530-H534 WeakPolarHBondContact O-CB 3.45Å; P530-H534 PolarHBondContact O-N 3.1Å
531S94.1Very high94.9Very high51 Ų5172.3 Ų72.336%0.35736%0.36SS..Hα-helixtrans-63.5-33.7-178.547.90000113.5F528 Y529 R535F528-S531 VanDerWaalsContact C-OG 3.25Å; F528-S531 VanDerWaalsContact CA-OG 3.26Å; F528-S531 WeakPolarHBondContact CA-OG 3.32Å; F528-S531 PolarHBondContact O-N 3.47Å; F528-S531 PolarHBondContact O-OG 3.26Å; Y529-S531 VanDerWaalsContact C-N 3.34Å; Y529-S531 PolarHBondContact O-N 3.25Å; S531-R535 WeakPolarHBondContact O-CD 2.75Å; S531-R535 WeakPolarHBondContact O-CG 3.44Å
532I95.8Very high95Very high100 Ų10073.1 Ų73.151%0.51337%0.371SS..Hα-helixtrans-83.2-61.3177-63.4165.2000108.9F528 Y529 P530 H534 R535 T536F528-I532 HydrophobicContact CB-CD1 3.97Å; F528-I532 HydrophobicContact CB-CG1 4.45Å; F528-I532 VanDerWaalsContact O-CG1 3.29Å; F528-I532 WeakPolarHBondContact O-CG1 3.28Å; F528-I532 PolarHBondContact O-N 3.24Å; Y529-I532 PolarHBondContact O-N 3.41Å; P530-I532 VanDerWaalsContact C-N 3.29Å; P530-I532 PolarHBondContact O-N 3.38Å; I532-H534 PolarHBondContact O-N 3.17Å; I532-R535 PolarHBondContact O-N 3.35Å; I532-T536 HydrophobicContact CG2-CG2 4.43Å; I532-T536 WeakPolarHBondContact O-CG2 3.25Å; I532-T536 PolarHBondContact O-N 3.26Å; I532-T536 PolarHBondContact O-OG1 3.34Å
533T94.5Very high95.1Very high18 Ų1871.5 Ų71.511%0.1137%0.366CS..Hα-helixtrans-66.2-43.3-168.759.60000113.6Y529 R535 I537 P538Y529-T533 HydrophobicContact CD1-CG2 4.18Å; Y529-T533 HydrophobicContact CD2-CG2 4.09Å; Y529-T533 HydrophobicContact CE1-CG2 3.85Å; Y529-T533 WeakPolarHBondContact CE1-OG1 3.3Å; Y529-T533 HydrophobicContact CE2-CG2 3.76Å; Y529-T533 HydrophobicContact CG-CG2 4.28Å; Y529-T533 WeakPolarHBondContact O-CB 3.11Å; Y529-T533 WeakPolarHBondContact O-CG2 3.45Å; Y529-T533 PolarHBondContact O-N 2.84Å; Y529-T533 PolarHBondContact O-OG1 3.36Å; T533-R535 PolarHBondContact O-N 3.48Å; T533-I537 HydrophobicContact CG2-CD1 4.36Å; T533-I537 WeakPolarHBondContact O-CB 3.22Å; T533-I537 WeakPolarHBondContact O-CG1 3.5Å; T533-I537 PolarHBondContact O-N 3.5Å; T533-I537 VanDerWaalsContact O-N 3.13Å; T533-P538 WeakPolarHBondContact O-CD 2.98Å
534H94.6Very high95.1Very high64 Ų6474.7 Ų74.730%0.29639%0.385SS..Hα-helixtrans-74.8-13-178.7-58.2167.1000113.2Q170 Y174 P530 I532 P538Q170-H534 PolarHBondContact NE2-CE1 3.01Å; Y174-H534 AromaticContact CE2-NE2 3.81Å; Y174-H534 AromaticContact CZ-NE2 3.75Å; Y174-H534 PolarHBondContact OH-CD2 3.34Å; Y174-H534 PolarHBondContact OH-NE2 3.06Å; P530-H534 WeakPolarHBondContact O-CB 3.45Å; P530-H534 PolarHBondContact O-N 3.1Å; I532-H534 PolarHBondContact O-N 3.17Å; H534-P538 VanDerWaalsContact O-CD 3.24Å; H534-P538 WeakPolarHBondContact O-CD 3.35Å; H534-P538 WeakPolarHBondContact O-CG 3.4Å
535R94.4Very high95.3Very high191 Ų19175 Ų7572%0.72139%0.391SS*.Hα-helixtrans-94.5-50.7173.4-66.9-172.1178-171.4-1.2111.4S531 I532 T533 Y539S531-R535 WeakPolarHBondContact O-CD 2.75Å; S531-R535 WeakPolarHBondContact O-CG 3.44Å; I532-R535 PolarHBondContact O-N 3.35Å; T533-R535 PolarHBondContact O-N 3.48Å; R535-Y539 WeakPolarHBondContact O-CB 3.32Å; R535-Y539 PolarHBondContact O-N 3.34Å
536T96.1Very high95.4Very high65 Ų6575.1 Ų75.140%0.39939%0.391SS..Hα-helixtrans-72.9-44.8-172.559.10000112.4I532 Y539 L540I532-T536 HydrophobicContact CG2-CG2 4.43Å; I532-T536 WeakPolarHBondContact O-CG2 3.25Å; I532-T536 PolarHBondContact O-N 3.26Å; I532-T536 PolarHBondContact O-OG1 3.34Å; T536-Y539 PolarHBondContact O-N 2.83Å; T536-L540 WeakPolarHBondContact O-CB 3.32Å; T536-L540 VanDerWaalsContact O-CG 3.32Å; T536-L540 WeakPolarHBondContact O-CG 3.44Å; T536-L540 PolarHBondContact O-N 2.9Å
537I95.2Very high95.5Very high110 Ų11077.4 Ų77.456%0.56440%0.403SS*.Hα-helixtrans-67-49.3-175.1-58.7170.3000111T533 Y539 L540 G541T533-I537 HydrophobicContact CG2-CD1 4.36Å; T533-I537 WeakPolarHBondContact O-CB 3.22Å; T533-I537 WeakPolarHBondContact O-CG1 3.5Å; T533-I537 PolarHBondContact O-N 3.5Å; T533-I537 VanDerWaalsContact O-N 3.13Å; I537-Y539 PolarHBondContact O-N 3.27Å; I537-L540 PolarHBondContact O-N 2.73Å; I537-G541 PolarHBondContact O-N 2.97Å
538P95.7Very high95.6Very high62 Ų6281.5 Ų81.540%0.40342%0.421SS..Hα-helixtrans-66.1-37177.2-2538.8000112.9T533 H534 G541 L542T533-P538 WeakPolarHBondContact O-CD 2.98Å; H534-P538 VanDerWaalsContact O-CD 3.24Å; H534-P538 WeakPolarHBondContact O-CD 3.35Å; H534-P538 WeakPolarHBondContact O-CG 3.4Å; P538-G541 PolarHBondContact O-N 3.46Å; P538-L542 WeakPolarHBondContact O-CB 3.26Å; P538-L542 VanDerWaalsContact O-CG 3.28Å; P538-L542 WeakPolarHBondContact O-CG 3.4Å; P538-L542 PolarHBondContact O-N 2.93Å
539Y96.4Very high95.6Very high151 Ų15180.6 Ų80.659%0.59242%0.422SS*.Hα-helixtrans-61-50.1176.7175-106.3000111.8R535 T536 I537 L543R535-Y539 WeakPolarHBondContact O-CB 3.32Å; R535-Y539 PolarHBondContact O-N 3.34Å; T536-Y539 PolarHBondContact O-N 2.83Å; I537-Y539 PolarHBondContact O-N 3.27Å; Y539-L543 HydrophobicContact CD1-CD1 3.92Å; Y539-L543 HydrophobicContact CD2-CD1 4.06Å; Y539-L543 HydrophobicContact CD2-CG 4.32Å; Y539-L543 HydrophobicContact CE1-CD1 3.38Å; Y539-L543 HydrophobicContact CE2-CD1 3.54Å; Y539-L543 HydrophobicContact CE2-CG 4.06Å; Y539-L543 HydrophobicContact CG-CD1 4.25Å; Y539-L543 VanDerWaalsContact O-CB 3.31Å; Y539-L543 WeakPolarHBondContact O-CB 3.37Å; Y539-L543 VanDerWaalsContact O-CG 3.32Å; Y539-L543 WeakPolarHBondContact O-CG 3.32Å; Y539-L543 PolarHBondContact O-N 3.3Å; Y539-L543 WeakPolarHBondContact OH-CD1 3.31Å
540L96.4Very high95.6Very high104 Ų10481 Ų8155%0.54543%0.429SS..Hα-helixtrans-64.9-41.3177.1-68.5173.7000111.6T536 I537 T544T536-L540 WeakPolarHBondContact O-CB 3.32Å; T536-L540 VanDerWaalsContact O-CG 3.32Å; T536-L540 WeakPolarHBondContact O-CG 3.44Å; T536-L540 PolarHBondContact O-N 2.9Å; I537-L540 PolarHBondContact O-N 2.73Å; L540-T544 WeakPolarHBondContact O-CB 3.23Å; L540-T544 VanDerWaalsContact O-CG2 3.23Å; L540-T544 WeakPolarHBondContact O-CG2 3.35Å; L540-T544 PolarHBondContact O-N 2.94Å; L540-T544 PolarHBondContact O-OG1 3.48Å
541G95.8Very high95.7Very high35 Ų3582.9 Ų82.936%0.36144%0.437SS..Hα-helixtrans-61.9-47.4177.200000112.8I537 P538 T544 S545I537-G541 PolarHBondContact O-N 2.97Å; P538-G541 PolarHBondContact O-N 3.46Å; G541-T544 PolarHBondContact O-OG1 2.97Å; G541-S545 VanDerWaalsContact O-CB 3.27Å; G541-S545 WeakPolarHBondContact O-CB 3.35Å; G541-S545 PolarHBondContact O-N 3.25Å; G541-S545 PolarHBondContact O-OG 3.48Å
542L95.9Very high95.8Very high120 Ų12084.1 Ų84.163%0.62844%0.44SS*.Hα-helixtrans-68.7-43.5179.5-69.6173.1000111.7P538 T544 S545 Q546P538-L542 WeakPolarHBondContact O-CB 3.26Å; P538-L542 VanDerWaalsContact O-CG 3.28Å; P538-L542 WeakPolarHBondContact O-CG 3.4Å; P538-L542 PolarHBondContact O-N 2.93Å; L542-T544 PolarHBondContact O-N 2.88Å; L542-S545 WeakPolarHBondContact CA-OG 3.27Å; L542-S545 PolarHBondContact O-N 2.74Å; L542-S545 PolarHBondContact O-OG 2.92Å; L542-Q546 WeakPolarHBondContact O-CB 3.48Å; L542-Q546 PolarHBondContact O-N 2.97Å
543L97.1Very high95.8Very high55 Ų5583.3 Ų83.329%0.28844%0.436SS..Hα-helixtrans-61.8-44.6176.4-78.8-178.8000112.8Y539 S545 Q546 N547Y539-L543 HydrophobicContact CD1-CD1 3.92Å; Y539-L543 HydrophobicContact CD2-CD1 4.06Å; Y539-L543 HydrophobicContact CD2-CG 4.32Å; Y539-L543 HydrophobicContact CE1-CD1 3.38Å; Y539-L543 HydrophobicContact CE2-CD1 3.54Å; Y539-L543 HydrophobicContact CE2-CG 4.06Å; Y539-L543 HydrophobicContact CG-CD1 4.25Å; Y539-L543 VanDerWaalsContact O-CB 3.31Å; Y539-L543 WeakPolarHBondContact O-CB 3.37Å; Y539-L543 VanDerWaalsContact O-CG 3.32Å; Y539-L543 WeakPolarHBondContact O-CG 3.32Å; Y539-L543 PolarHBondContact O-N 3.3Å; Y539-L543 WeakPolarHBondContact OH-CD1 3.31Å; L543-S545 VanDerWaalsContact C-N 3.34Å; L543-Q546 PolarHBondContact O-N 3.03Å; L543-N547 WeakPolarHBondContact O-CB 3.45Å; L543-N547 PolarHBondContact O-N 3.42Å
544T96.4Very high95.8Very high74 Ų7486.4 Ų86.445%0.45445%0.452SS..Hα-helixtrans-64.7-41.1176.351.80000110.6L540 G541 L542 Q546 L548 P549L540-T544 WeakPolarHBondContact O-CB 3.23Å; L540-T544 VanDerWaalsContact O-CG2 3.23Å; L540-T544 WeakPolarHBondContact O-CG2 3.35Å; L540-T544 PolarHBondContact O-N 2.94Å; L540-T544 PolarHBondContact O-OG1 3.48Å; G541-T544 PolarHBondContact O-OG1 2.97Å; L542-T544 PolarHBondContact O-N 2.88Å; T544-Q546 VanDerWaalsContact C-N 3.33Å; T544-Q546 PolarHBondContact O-N 2.93Å; T544-L548 WeakPolarHBondContact O-CB 3.38Å; T544-L548 PolarHBondContact O-N 3.36Å; T544-P549 WeakPolarHBondContact O-CD 3.08Å
545S96.8Very high95.8Very high59 Ų5987.7 Ų87.741%0.41346%0.458SS..Hα-helixtrans-66.1-28.9176.576.50000114.2G541 L542 L543 P549G541-S545 VanDerWaalsContact O-CB 3.27Å; G541-S545 WeakPolarHBondContact O-CB 3.35Å; G541-S545 PolarHBondContact O-N 3.25Å; G541-S545 PolarHBondContact O-OG 3.48Å; L542-S545 WeakPolarHBondContact CA-OG 3.27Å; L542-S545 PolarHBondContact O-N 2.74Å; L542-S545 PolarHBondContact O-OG 2.92Å; L543-S545 VanDerWaalsContact C-N 3.34Å; S545-P549 WeakPolarHBondContact O-CD 3.47Å; S545-P549 WeakPolarHBondContact O-CG 3.43Å
546Q96.3Very high95.9Very high100 Ų10082.1 Ų82.147%0.46745%0.445SS..Iπ-helixtrans-82.6-49.5176.7-176.5179.9-0.600111.2L542 L543 T544 L550 L551L542-Q546 WeakPolarHBondContact O-CB 3.48Å; L542-Q546 PolarHBondContact O-N 2.97Å; L543-Q546 PolarHBondContact O-N 3.03Å; T544-Q546 VanDerWaalsContact C-N 3.33Å; T544-Q546 PolarHBondContact O-N 2.93Å; Q546-L550 WeakPolarHBondContact O-CB 3.2Å; Q546-L551 HydrophobicContact CG-CD1 4.19Å; Q546-L551 HydrophobicContact CG-CG 4.43Å; Q546-L551 WeakPolarHBondContact O-CG 3.04Å; Q546-L551 PolarHBondContact O-N 3Å
547N96.2Very high95.9Very high79 Ų7985.7 Ų85.742%0.42245%0.451SS..Iπ-helixtrans-77.1-40.3-169.8-67-18.2000112.5L543 L552L543-N547 WeakPolarHBondContact O-CB 3.45Å; L543-N547 PolarHBondContact O-N 3.42Å; N547-L552 WeakPolarHBondContact O-CB 3.43Å; N547-L552 PolarHBondContact O-N 3.01Å; N547-L552 VanDerWaalsContact O-N 3.08Å
548L95.1Very high95.9Very high101 Ų10184.2 Ų84.253%0.52944%0.444SS..Iπ-helixtrans-83.3-65.7-175-67.7172.5000112.8T544 L552 L553T544-L548 WeakPolarHBondContact O-CB 3.38Å; T544-L548 PolarHBondContact O-N 3.36Å; L548-L552 WeakPolarHBondContact O-CB 3.39Å; L548-L553 WeakPolarHBondContact O-CB 3.4Å; L548-L553 PolarHBondContact O-N 2.82Å
549P95.5Very high95.9Very high55 Ų5585.2 Ų85.236%0.35744%0.443SS..Iπ-helixtrans-75.5-48.3-175.630.2-31.2000111.7T544 S545 L553 D554T544-P549 WeakPolarHBondContact O-CD 3.08Å; S545-P549 WeakPolarHBondContact O-CD 3.47Å; S545-P549 WeakPolarHBondContact O-CG 3.43Å; P549-L553 VanDerWaalsContact O-CB 3.26Å; P549-L553 WeakPolarHBondContact O-CB 3.17Å; P549-L553 PolarHBondContact O-N 3.33Å; P549-D554 WeakPolarHBondContact O-CB 3.46Å; P549-D554 PolarHBondContact O-N 2.88Å
550L95.4Very high95.8Very high81 Ų8184.8 Ų84.842%0.42445%0.445SS..Iπ-helixtrans-71.5-59.6-174-175.377000113.1Q546 Q555Q546-L550 WeakPolarHBondContact O-CB 3.2Å; L550-Q555 WeakPolarHBondContact O-CB 3.41Å; L550-Q555 VanDerWaalsContact O-CG 3.32Å; L550-Q555 WeakPolarHBondContact O-CG 3.32Å; L550-Q555 PolarHBondContact O-N 3.08Å
551L95.9Very high95.8Very high65 Ų6584.4 Ų84.434%0.3444%0.443SS..Iπ-helixtrans-76.5-50.6-174-67.4178000112.2Q546 Q555 T556Q546-L551 HydrophobicContact CG-CD1 4.19Å; Q546-L551 HydrophobicContact CG-CG 4.43Å; Q546-L551 WeakPolarHBondContact O-CG 3.04Å; Q546-L551 PolarHBondContact O-N 3Å; L551-Q555 VanDerWaalsContact CD2-OE1 3.31Å; L551-T556 WeakPolarHBondContact O-CG2 3.45Å; L551-T556 PolarHBondContact O-N 2.83Å; L551-T556 PolarHBondContact O-OG1 3.29Å
552L96.5Very high95.8Very high78 Ų7887.9 Ų87.941%0.40845%0.452SS..Iπ-helixtrans-78.8-52.4-174.8-171.1151.1000111.2N547 L548 T556 W557N547-L552 WeakPolarHBondContact O-CB 3.43Å; N547-L552 PolarHBondContact O-N 3.01Å; N547-L552 VanDerWaalsContact O-N 3.08Å; L548-L552 WeakPolarHBondContact O-CB 3.39Å; L552-T556 WeakPolarHBondContact CA-OG1 3.32Å; L552-T556 PolarHBondContact O-OG1 3.37Å; L552-W557 HydrophobicContact CD2-CG 4.45Å; L552-W557 WeakPolarHBondContact O-CB 3.26Å; L552-W557 PolarHBondContact O-N 2.92Å
553L95.8Very high95.8Very high83 Ų8385.8 Ų85.844%0.43545%0.446SS..Iπ-helixtrans-77.2-60.1-172.6-138165.4000111.7L548 P549 W557 L558L548-L553 WeakPolarHBondContact O-CB 3.4Å; L548-L553 PolarHBondContact O-N 2.82Å; P549-L553 VanDerWaalsContact O-CB 3.26Å; P549-L553 WeakPolarHBondContact O-CB 3.17Å; P549-L553 PolarHBondContact O-N 3.33Å; L553-W557 PolarHBondContact O-N 2.69Å; L553-L558 HydrophobicContact CD2-CD1 3.62Å; L553-L558 HydrophobicContact CD2-CD2 4.34Å; L553-L558 HydrophobicContact CD2-CG 3.72Å; L553-L558 WeakPolarHBondContact O-CB 3.46Å; L553-L558 WeakPolarHBondContact O-CG 3.39Å; L553-L558 PolarHBondContact O-N 2.91Å
554D95Very high95.7Very high82 Ų8288 Ų8844%0.43945%0.453SS..Iπ-helixtrans-75.4-54.6-169.9-65.6-15.9000112.2P549P549-D554 WeakPolarHBondContact O-CB 3.46Å; P549-D554 PolarHBondContact O-N 2.88Å
555Q94.5Very high95.7Very high92 Ų9286.7 Ų86.743%0.4345%0.445SS..Iπ-helixtrans-77.1-29.2-174.2-70.9-178.6-0.100114L550 L551 E559L550-Q555 WeakPolarHBondContact O-CB 3.41Å; L550-Q555 VanDerWaalsContact O-CG 3.32Å; L550-Q555 WeakPolarHBondContact O-CG 3.32Å; L550-Q555 PolarHBondContact O-N 3.08Å; L551-Q555 VanDerWaalsContact CD2-OE1 3.31Å; Q555-E559 VanDerWaalsContact O-CD 3.22Å
556T95.3Very high95.7Very high73 Ų7388 Ų8845%0.44845%0.447SS..Iπ-helixtrans-109.5-59.6-176.158.40000113.3L551 L552 K560L551-T556 WeakPolarHBondContact O-CG2 3.45Å; L551-T556 PolarHBondContact O-N 2.83Å; L551-T556 PolarHBondContact O-OG1 3.29Å; L552-T556 WeakPolarHBondContact CA-OG1 3.32Å; L552-T556 PolarHBondContact O-OG1 3.37Å; T556-K560 WeakPolarHBondContact O-CB 3.21Å; T556-K560 PolarHBondContact O-N 3.38Å
557W96.2Very high95.7Very high141 Ų14185.6 Ų85.653%0.53444%0.441SS..Iπ-helixtrans-71.2-50.4-174-82.4100.2000113.2L552 L553 E559 K560 L561L552-W557 HydrophobicContact CD2-CG 4.45Å; L552-W557 WeakPolarHBondContact O-CB 3.26Å; L552-W557 PolarHBondContact O-N 2.92Å; L553-W557 PolarHBondContact O-N 2.69Å; W557-E559 PolarHBondContact O-N 3.47Å; W557-K560 PolarHBondContact O-N 2.82Å; W557-L561 HydrophobicContact CB-CD1 4.47Å; W557-L561 HydrophobicContact CE3-CD1 3.94Å; W557-L561 HydrophobicContact CE3-CD2 4.2Å; W557-L561 HydrophobicContact CE3-CG 3.96Å; W557-L561 HydrophobicContact CZ3-CD2 4.31Å; W557-L561 WeakPolarHBondContact O-CB 3.34Å; W557-L561 WeakPolarHBondContact O-CG 3.17Å; W557-L561 PolarHBondContact O-N 2.89Å
558L96.6Very high95.7Very high79 Ų7988.4 Ų88.441%0.41445%0.452SS..Iπ-helixtrans-63.7-42.6-179.8-74174.3000111.6L553 L562 P563L553-L558 HydrophobicContact CD2-CD1 3.62Å; L553-L558 HydrophobicContact CD2-CD2 4.34Å; L553-L558 HydrophobicContact CD2-CG 3.72Å; L553-L558 WeakPolarHBondContact O-CB 3.46Å; L553-L558 WeakPolarHBondContact O-CG 3.39Å; L553-L558 PolarHBondContact O-N 2.91Å; L558-L562 PolarHBondContact O-N 2.96Å; L558-P563 WeakPolarHBondContact O-CD 3.48Å
559E94.8Very high95.6Very high82 Ų8289.7 Ų89.738%0.38346%0.455SS..Hα-helixtrans-64.9-39.7174.2-74.5-169.9-171.100113.3Q555 W557 P563 K564Q555-E559 VanDerWaalsContact O-CD 3.22Å; W557-E559 PolarHBondContact O-N 3.47Å; E559-P563 WeakPolarHBondContact O-CD 3.37Å; E559-P563 WeakPolarHBondContact O-CG 3.36Å; E559-K564 WeakPolarHBondContact O-CB 3.27Å; E559-K564 WeakPolarHBondContact O-CG 3.02Å; E559-K564 PolarHBondContact O-N 3.31Å; E559-K564 VanDerWaalsContact O-N 3.08Å; E559-K564 WeakPolarHBondContact OE2-CE 3.01Å; E559-K564 IonicContact OE2-NZ 2.73Å; E559-K564 PolarHBondContact OE2-NZ 2.73Å
560K95.1Very high95.6Very high142 Ų14293.1 Ų93.162%0.61747%0.466SS*.Iπ-helixtrans-73-42.8-178.8-170173.8-178.2-179.50111.3T556 W557 T565T556-K560 WeakPolarHBondContact O-CB 3.21Å; T556-K560 PolarHBondContact O-N 3.38Å; W557-K560 PolarHBondContact O-N 2.82Å; K560-T565 WeakPolarHBondContact O-CG2 3.17Å; K560-T565 PolarHBondContact O-N 3.26Å
561L96.3Very high95.5Very high97 Ų9793.8 Ų93.851%0.50847%0.469SS..Iπ-helixtrans-68.8-34.5-173-77171000113.7W557 T565W557-L561 HydrophobicContact CB-CD1 4.47Å; W557-L561 HydrophobicContact CE3-CD1 3.94Å; W557-L561 HydrophobicContact CE3-CD2 4.2Å; W557-L561 HydrophobicContact CE3-CG 3.96Å; W557-L561 HydrophobicContact CZ3-CD2 4.31Å; W557-L561 WeakPolarHBondContact O-CB 3.34Å; W557-L561 WeakPolarHBondContact O-CG 3.17Å; W557-L561 PolarHBondContact O-N 2.89Å; L561-T565 PolarHBondContact O-OG1 3.01Å
562L95.6Very high95.4Very high107 Ų10792.9 Ų92.956%0.5647%0.468SS*.Iπ-helixtrans-112.1-74.7-173.7-70.3172.1000112.8L558 K564 T565 I566L558-L562 PolarHBondContact O-N 2.96Å; L562-K564 PolarHBondContact O-N 3.45Å; L562-T565 PolarHBondContact O-OG1 3.08Å; L562-I566 VanDerWaalsContact O-CB 3.29Å; L562-I566 WeakPolarHBondContact O-CB 3.21Å; L562-I566 WeakPolarHBondContact O-CD1 3.13Å; L562-I566 WeakPolarHBondContact O-CG1 3.34Å; L562-I566 PolarHBondContact O-N 2.84Å
563P95.4Very high95.2Very high77 Ų7793 Ų9350%0.547%0.472SS..Iπ-helixtrans-69.7-37.2-170.826-33.1000113.1L558 E559 S567L558-P563 WeakPolarHBondContact O-CD 3.48Å; E559-P563 WeakPolarHBondContact O-CD 3.37Å; E559-P563 WeakPolarHBondContact O-CG 3.36Å; P563-S567 VanDerWaalsContact O-CB 3.27Å; P563-S567 WeakPolarHBondContact O-CB 3.29Å; P563-S567 PolarHBondContact O-N 2.97Å; P563-S567 PolarHBondContact O-OG 2.62Å
564K94.9Very high95.1Very high100 Ų10091.7 Ų91.744%0.43547%0.47SS..Iπ-helixtrans-74.7-40.3-179.4-69175.9-176.41570112.4E559 L562 S567 Q568E559-K564 WeakPolarHBondContact O-CB 3.27Å; E559-K564 WeakPolarHBondContact O-CG 3.02Å; E559-K564 PolarHBondContact O-N 3.31Å; E559-K564 VanDerWaalsContact O-N 3.08Å; E559-K564 WeakPolarHBondContact OE2-CE 3.01Å; E559-K564 IonicContact OE2-NZ 2.73Å; E559-K564 PolarHBondContact OE2-NZ 2.73Å; L562-K564 PolarHBondContact O-N 3.45Å; K564-S567 WeakPolarHBondContact CA-OG 3.43Å; K564-S567 PolarHBondContact O-OG 2.84Å; K564-S567 VanDerWaalsContact O-OG 3.05Å; K564-Q568 WeakPolarHBondContact O-CB 3.19Å; K564-Q568 PolarHBondContact O-N 3.37Å
565T96.6Very high95Very high47 Ų4792.1 Ų92.129%0.28847%0.471SS..Hα-helixtrans-65.2-45.2174.348.10000111.5K560 L561 L562 Q568 H569K560-T565 WeakPolarHBondContact O-CG2 3.17Å; K560-T565 PolarHBondContact O-N 3.26Å; L561-T565 PolarHBondContact O-OG1 3.01Å; L562-T565 PolarHBondContact O-OG1 3.08Å; T565-Q568 PolarHBondContact O-N 3.15Å; T565-H569 WeakPolarHBondContact O-CB 3.4Å; T565-H569 PolarHBondContact O-CD2 3.05Å; T565-H569 PolarHBondContact O-N 2.88Å
566I96.4Very high94.8Very high87 Ų8793.8 Ų93.845%0.44648%0.482SS..Hα-helixtrans-62.6-47.1178-67.5167.1000110.3L562 Q568 H569 Q570L562-I566 VanDerWaalsContact O-CB 3.29Å; L562-I566 WeakPolarHBondContact O-CB 3.21Å; L562-I566 WeakPolarHBondContact O-CD1 3.13Å; L562-I566 WeakPolarHBondContact O-CG1 3.34Å; L562-I566 PolarHBondContact O-N 2.84Å; I566-Q568 PolarHBondContact O-N 2.86Å; I566-H569 PolarHBondContact O-N 3.31Å; I566-Q570 HydrophobicContact CG2-CG 4.4Å; I566-Q570 WeakPolarHBondContact O-CB 3.34Å; I566-Q570 WeakPolarHBondContact O-CG 3.47Å; I566-Q570 PolarHBondContact O-N 3.48Å
567S96.6Very high94.5Very high49 Ų4994.9 Ų94.934%0.34349%0.489SS..Hα-helixtrans-64.6-40.8178.560.60000111.8P563 K564 H569 Q570 I571P563-S567 VanDerWaalsContact O-CB 3.27Å; P563-S567 WeakPolarHBondContact O-CB 3.29Å; P563-S567 PolarHBondContact O-N 2.97Å; P563-S567 PolarHBondContact O-OG 2.62Å; K564-S567 WeakPolarHBondContact CA-OG 3.43Å; K564-S567 PolarHBondContact O-OG 2.84Å; K564-S567 VanDerWaalsContact O-OG 3.05Å; S567-H569 PolarHBondContact O-N 3.5Å; S567-Q570 PolarHBondContact O-N 2.84Å; S567-I571 WeakPolarHBondContact O-CB 3.45Å; S567-I571 WeakPolarHBondContact O-CD1 3.16Å; S567-I571 WeakPolarHBondContact O-CG1 3.41Å; S567-I571 PolarHBondContact O-N 3.34Å
568Q95.2Very high94Very high139 Ų13992.5 Ų92.565%0.6549%0.493SS*.Hα-helixtrans-63.9-41.7175.7-173.1173300111.9K564 T565 I566 S572K564-Q568 WeakPolarHBondContact O-CB 3.19Å; K564-Q568 PolarHBondContact O-N 3.37Å; T565-Q568 PolarHBondContact O-N 3.15Å; I566-Q568 PolarHBondContact O-N 2.86Å; Q568-S572 VanDerWaalsContact O-CB 3.3Å; Q568-S572 WeakPolarHBondContact O-CB 3.46Å; Q568-S572 PolarHBondContact O-N 2.73Å; Q568-S572 PolarHBondContact O-OG 2.79Å
569H94.3Very high93.5Very high127 Ų12793.4 Ų93.459%0.58850%0.502SS*.Hα-helixtrans-62-49.1173.7-81.6-57.8000111.1T565 I566 S567 I571 S572 T573T565-H569 WeakPolarHBondContact O-CB 3.4Å; T565-H569 PolarHBondContact O-CD2 3.05Å; T565-H569 PolarHBondContact O-N 2.88Å; I566-H569 PolarHBondContact O-N 3.31Å; S567-H569 PolarHBondContact O-N 3.5Å; H569-I571 PolarHBondContact O-N 3.24Å; H569-S572 WeakPolarHBondContact CA-OG 3.38Å; H569-S572 PolarHBondContact O-N 2.87Å; H569-S572 PolarHBondContact O-OG 2.92Å; H569-T573 WeakPolarHBondContact O-CG2 3.34Å; H569-T573 PolarHBondContact O-N 3.2Å; H569-T573 PolarHBondContact O-OG1 3.43Å; H569-T573 VanDerWaalsContact O-OG1 3.11Å
570Q94.3Very high93Very high127 Ų12795.6 Ų95.659%0.59351%0.513SS*.Hα-helixtrans-58.8-45.9177.8-74.5-180-1200112.3I566 S567 T573 S574I566-Q570 HydrophobicContact CG2-CG 4.4Å; I566-Q570 WeakPolarHBondContact O-CB 3.34Å; I566-Q570 WeakPolarHBondContact O-CG 3.47Å; I566-Q570 PolarHBondContact O-N 3.48Å; S567-Q570 PolarHBondContact O-N 2.84Å; Q570-T573 WeakPolarHBondContact CA-OG1 3.37Å; Q570-T573 PolarHBondContact O-N 3.36Å; Q570-T573 PolarHBondContact O-OG1 3.09Å; Q570-S574 WeakPolarHBondContact O-CB 3.47Å; Q570-S574 PolarHBondContact O-N 2.96Å; Q570-S574 PolarHBondContact O-OG 3.4Å
571I94.2Very high92.4Very high96 Ų9696.9 Ų96.949%0.49252%0.518SS..Hα-helixtrans-62.7-44.7176.5-68.9164.1000110.6S567 H569 T573 S574 I575S567-I571 WeakPolarHBondContact O-CB 3.45Å; S567-I571 WeakPolarHBondContact O-CD1 3.16Å; S567-I571 WeakPolarHBondContact O-CG1 3.41Å; S567-I571 PolarHBondContact O-N 3.34Å; H569-I571 PolarHBondContact O-N 3.24Å; I571-T573 PolarHBondContact O-N 3.32Å; I571-S574 WeakPolarHBondContact CA-OG 3.3Å; I571-S574 PolarHBondContact O-N 2.83Å; I571-S574 PolarHBondContact O-OG 2.96Å; I571-I575 HydrophobicContact CG2-CD1 3.59Å; I571-I575 HydrophobicContact CG2-CG1 4.32Å; I571-I575 WeakPolarHBondContact O-CB 3.41Å; I571-I575 WeakPolarHBondContact O-CD1 3.21Å; I571-I575 WeakPolarHBondContact O-CG1 3.39Å; I571-I575 PolarHBondContact O-N 3.11Å
572S94Very high91.9Very high46 Ų4694.7 Ų94.732%0.32252%0.519SS..Hα-helixtrans-62.5-43.2177.971.10000111.6Q568 H569 I576Q568-S572 VanDerWaalsContact O-CB 3.3Å; Q568-S572 WeakPolarHBondContact O-CB 3.46Å; Q568-S572 PolarHBondContact O-N 2.73Å; Q568-S572 PolarHBondContact O-OG 2.79Å; H569-S572 WeakPolarHBondContact CA-OG 3.38Å; H569-S572 PolarHBondContact O-N 2.87Å; H569-S572 PolarHBondContact O-OG 2.92Å; S572-I576 WeakPolarHBondContact O-CD1 3.46Å; S572-I576 WeakPolarHBondContact O-CG1 3.2Å; S572-I576 PolarHBondContact O-N 2.86Å; S572-I576 VanDerWaalsContact O-N 3.09Å
573T92.5Very high91.6Very high79 Ų7994.5 Ų94.549%0.48552%0.516SS..Hα-helixtrans-66.2-40.6176.454.10000111.9H569 Q570 I571 I576 T577H569-T573 WeakPolarHBondContact O-CG2 3.34Å; H569-T573 PolarHBondContact O-N 3.2Å; H569-T573 PolarHBondContact O-OG1 3.43Å; H569-T573 VanDerWaalsContact O-OG1 3.11Å; Q570-T573 WeakPolarHBondContact CA-OG1 3.37Å; Q570-T573 PolarHBondContact O-N 3.36Å; Q570-T573 PolarHBondContact O-OG1 3.09Å; I571-T573 PolarHBondContact O-N 3.32Å; T573-I576 PolarHBondContact O-N 2.82Å; T573-T577 WeakPolarHBondContact O-CG2 3.46Å; T573-T577 PolarHBondContact O-N 3.46Å; T573-T577 PolarHBondContact O-OG1 3.36Å
574S94.4Very high91.2Very high56 Ų5696.5 Ų96.539%0.39252%0.522SS..Hα-helixtrans-65.1-45.6179.9700000111Q570 I571 I576 T577 S578Q570-S574 WeakPolarHBondContact O-CB 3.47Å; Q570-S574 PolarHBondContact O-N 2.96Å; Q570-S574 PolarHBondContact O-OG 3.4Å; I571-S574 WeakPolarHBondContact CA-OG 3.3Å; I571-S574 PolarHBondContact O-N 2.83Å; I571-S574 PolarHBondContact O-OG 2.96Å; S574-I576 VanDerWaalsContact C-N 3.33Å; S574-I576 PolarHBondContact O-N 3.08Å; S574-T577 WeakPolarHBondContact CA-OG1 3.42Å; S574-T577 PolarHBondContact O-N 2.84Å; S574-T577 VanDerWaalsContact O-N 3.14Å; S574-T577 PolarHBondContact O-OG1 3.25Å; S574-S578 WeakPolarHBondContact O-CB 3.38Å; S574-S578 PolarHBondContact O-N 3.14Å; S574-S578 PolarHBondContact O-OG 2.82Å; S574-S578 VanDerWaalsContact O-OG 3.08Å
575I92.6Very high90.9Very high92 Ų9299.7 Ų99.747%0.47254%0.535SS..Hα-helixtrans-58.7-44.3176-66.8166.1000110.9I571 T577 T579I571-I575 HydrophobicContact CG2-CD1 3.59Å; I571-I575 HydrophobicContact CG2-CG1 4.32Å; I571-I575 WeakPolarHBondContact O-CB 3.41Å; I571-I575 WeakPolarHBondContact O-CD1 3.21Å; I571-I575 WeakPolarHBondContact O-CG1 3.39Å; I571-I575 PolarHBondContact O-N 3.11Å; I575-T577 VanDerWaalsContact C-N 3.34Å; I575-T577 PolarHBondContact O-N 3.22Å; I575-T579 HydrophobicContact CG2-CG2 4.23Å; I575-T579 WeakPolarHBondContact O-CB 3.34Å; I575-T579 WeakPolarHBondContact O-CG2 3.13Å; I575-T579 PolarHBondContact O-N 3.33Å; I575-T579 PolarHBondContact O-OG1 3.21Å
576I90.4Very high90.5Very high126 Ų126101.9 Ų101.965%0.64655%0.545SS*.Hα-helixtrans-62.9-41.5177.7-67.3164.3000110.8S572 T573 S574 T579S572-I576 WeakPolarHBondContact O-CD1 3.46Å; S572-I576 WeakPolarHBondContact O-CG1 3.2Å; S572-I576 PolarHBondContact O-N 2.86Å; S572-I576 VanDerWaalsContact O-N 3.09Å; T573-I576 PolarHBondContact O-N 2.82Å; S574-I576 VanDerWaalsContact C-N 3.33Å; S574-I576 PolarHBondContact O-N 3.08Å; I576-T579 PolarHBondContact O-OG1 3.46Å
577T87.3Confident90Very high97 Ų97101.4 Ų101.460%0.59554%0.538SS*.Hα-helixtrans-73.8-36.3-18058.50000113.9T573 S574 I575T573-T577 WeakPolarHBondContact O-CG2 3.46Å; T573-T577 PolarHBondContact O-N 3.46Å; T573-T577 PolarHBondContact O-OG1 3.36Å; S574-T577 WeakPolarHBondContact CA-OG1 3.42Å; S574-T577 PolarHBondContact O-N 2.84Å; S574-T577 VanDerWaalsContact O-N 3.14Å; S574-T577 PolarHBondContact O-OG1 3.25Å; I575-T577 VanDerWaalsContact C-N 3.34Å; I575-T577 PolarHBondContact O-N 3.22Å
578S87.1Confident89.5Confident90 Ų90105.9 Ų105.963%0.62955%0.552SS**Hα-helixtrans-85.4-13.3-173.168.90000113.8S574 Q580S574-S578 WeakPolarHBondContact O-CB 3.38Å; S574-S578 PolarHBondContact O-N 3.14Å; S574-S578 PolarHBondContact O-OG 2.82Å; S574-S578 VanDerWaalsContact O-OG 3.08Å; S578-Q580 PolarHBondContact O-N 3.41Å
579T86.4Confident89.2Confident98 Ų98103 Ų10360%0.60154%0.54SS*.  trans-78.441.2-179.4460000113.3I575 I576I575-T579 HydrophobicContact CG2-CG2 4.23Å; I575-T579 WeakPolarHBondContact O-CB 3.34Å; I575-T579 WeakPolarHBondContact O-CG2 3.13Å; I575-T579 PolarHBondContact O-N 3.33Å; I575-T579 PolarHBondContact O-OG1 3.21Å; I576-T579 PolarHBondContact O-OG1 3.46Å
580Q82.8Confident88.8Confident129 Ų129100 Ų10060%0.60353%0.533SS*.  trans-84.6131.4173.5-62.2-171.5-18.600110.7S578 G582 Y587S578-Q580 PolarHBondContact O-N 3.41Å; Q580-G582 VanDerWaalsContact C-N 3.27Å; Q580-G582 PolarHBondContact O-N 3.28Å; Q580-Y587 HydrophobicContact CB-CE1 4.25Å; Q580-Y587 WeakPolarHBondContact CB-OH 3.45Å; Q580-Y587 HydrophobicContact CG-CE1 4.49Å; Q580-Y587 VanDerWaalsContact OE1-CE1 3.23Å; Q580-Y587 PolarHBondContact OE1-OH 2.92Å
581K83.8Confident88.4Confident169 Ų169100.7 Ų100.774%0.73553%0.534SS*.  trans-82.78.6-172.8-61.4-178.7-178.6176.90114.8M583K581-M583 HydrophobicContact CB-CE 3.92Å; K581-M583 HydrophobicContact CB-CG 4.25Å; K581-M583 HydrophobicContact CD-CE 3.89Å; K581-M583 PolarHBondContact O-N 3.16Å; K581-M583 VanDerWaalsContact O-N 3.16Å
582G84.6Confident88Confident50 Ų50102.2 Ų102.252%0.51554%0.538SS..  trans689.7-18000000115.7Q580 I584 Y587Q580-G582 VanDerWaalsContact C-N 3.27Å; Q580-G582 PolarHBondContact O-N 3.28Å; G582-I584 PolarHBondContact O-N 3.5Å; G582-Y587 PolarHBondContact N-OH 3.45Å
583M89Confident87.5Confident103 Ų103106.4 Ų106.451%0.50755%0.551SS.*  trans-83.8115.2-176.7-59-175.9-160.700111.5K581 K585 L586 Y587K581-M583 HydrophobicContact CB-CE 3.92Å; K581-M583 HydrophobicContact CB-CG 4.25Å; K581-M583 HydrophobicContact CD-CE 3.89Å; K581-M583 PolarHBondContact O-N 3.16Å; K581-M583 VanDerWaalsContact O-N 3.16Å; M583-K585 PolarHBondContact O-N 3.36Å; M583-K585 VanDerWaalsContact O-N 3.12Å; M583-L586 HydrophobicContact CB-CD1 4.19Å; M583-L586 HydrophobicContact CB-CG 4.3Å; M583-L586 PolarHBondContact O-N 3.1Å; M583-L586 HydrophobicContact SD-CD1 4.2Å; M583-Y587 PolarHBondContact O-N 2.95Å
584I87.3Confident87.1Confident120 Ų120105.6 Ų105.662%0.61555%0.547SS*.Hα-helixtrans-52-38.2-179.6-63.3169.4000112.6G582 L586 Y587 F588G582-I584 PolarHBondContact O-N 3.5Å; I584-L586 VanDerWaalsContact C-N 3.33Å; I584-L586 PolarHBondContact O-N 3.46Å; I584-Y587 PolarHBondContact O-N 3.45Å; I584-F588 HydrophobicContact CG2-CD2 3.55Å; I584-F588 HydrophobicContact CG2-CE2 3.3Å; I584-F588 HydrophobicContact CG2-CZ 4.43Å; I584-F588 WeakPolarHBondContact O-CD2 3.3Å; I584-F588 PolarHBondContact O-N 3.09Å; I584-F588 VanDerWaalsContact O-N 3.09Å
585K89.5Confident86.6Confident166 Ų166107.9 Ų107.972%0.72255%0.554SS**Hα-helixtrans-57.6-42.2177.5-177.4178.6178.3179.70112.9M583 L589M583-K585 PolarHBondContact O-N 3.36Å; M583-K585 VanDerWaalsContact O-N 3.12Å; K585-L589 PolarHBondContact O-N 3.23Å
586L87.8Confident86.2Confident93 Ų93106.7 Ų106.749%0.48755%0.548SS..Hα-helixtrans-71.3-34.9-179.4-67.3175000111.1M583 I584 L589 S590M583-L586 HydrophobicContact CB-CD1 4.19Å; M583-L586 HydrophobicContact CB-CG 4.3Å; M583-L586 PolarHBondContact O-N 3.1Å; M583-L586 HydrophobicContact SD-CD1 4.2Å; I584-L586 VanDerWaalsContact C-N 3.33Å; I584-L586 PolarHBondContact O-N 3.46Å; L586-L589 PolarHBondContact O-N 2.69Å; L586-S590 WeakPolarHBondContact O-CB 2.86Å; L586-S590 PolarHBondContact O-N 3.42Å
587Y86.8Confident85.8Confident77 Ų77105.5 Ų105.530%0.30254%0.542SS..Hα-helixtrans-65.2-46.4175.9-63.2-46.5000112.4Q580 G582 M583 I584 L589 S590 F591Q580-Y587 HydrophobicContact CB-CE1 4.25Å; Q580-Y587 WeakPolarHBondContact CB-OH 3.45Å; Q580-Y587 HydrophobicContact CG-CE1 4.49Å; Q580-Y587 VanDerWaalsContact OE1-CE1 3.23Å; Q580-Y587 PolarHBondContact OE1-OH 2.92Å; G582-Y587 PolarHBondContact N-OH 3.45Å; M583-Y587 PolarHBondContact O-N 2.95Å; I584-Y587 PolarHBondContact O-N 3.45Å; Y587-L589 VanDerWaalsContact C-N 3.35Å; Y587-L589 PolarHBondContact O-N 3.12Å; Y587-S590 WeakPolarHBondContact CA-OG 3.41Å; Y587-S590 PolarHBondContact O-N 3.21Å; Y587-S590 VanDerWaalsContact O-N 3.12Å; Y587-S590 PolarHBondContact O-OG 3.37Å; Y587-F591 VanDerWaalsContact O-CD2 3.24Å; Y587-F591 WeakPolarHBondContact O-CD2 3.16Å; Y587-F591 PolarHBondContact O-N 2.99Å; Y587-F591 VanDerWaalsContact O-N 3.1Å
588F86.2Confident85.7Confident144 Ų144104.1 Ų104.163%0.63253%0.534SS*.Hα-helixtrans-62.4-40175.8-77.3-61000113I584 S590 F591 F592I584-F588 HydrophobicContact CG2-CD2 3.55Å; I584-F588 HydrophobicContact CG2-CE2 3.3Å; I584-F588 HydrophobicContact CG2-CZ 4.43Å; I584-F588 WeakPolarHBondContact O-CD2 3.3Å; I584-F588 PolarHBondContact O-N 3.09Å; I584-F588 VanDerWaalsContact O-N 3.09Å; F588-S590 VanDerWaalsContact C-N 3.31Å; F588-S590 PolarHBondContact O-N 3.4Å; F588-F591 PolarHBondContact O-N 3.21Å; F588-F592 PolarHBondContact O-N 3.41Å; F588-F592 VanDerWaalsContact O-N 3.1Å
589L87.3Confident85.4Confident78 Ų78104.7 Ų104.741%0.40853%0.529SS..Hα-helixtrans-59.5-42.4172.6-103.4155.7000111.7K585 L586 Y587 F591 F592 F593K585-L589 PolarHBondContact O-N 3.23Å; L586-L589 PolarHBondContact O-N 2.69Å; Y587-L589 VanDerWaalsContact C-N 3.35Å; Y587-L589 PolarHBondContact O-N 3.12Å; L589-F591 VanDerWaalsContact C-N 3.28Å; L589-F591 PolarHBondContact O-N 3.12Å; L589-F592 PolarHBondContact O-N 2.88Å; L589-F593 HydrophobicContact CD2-CD2 4.28Å; L589-F593 HydrophobicContact CD2-CE2 3.71Å; L589-F593 WeakPolarHBondContact O-CD2 3.45Å; L589-F593 PolarHBondContact O-N 3.47Å
590S86.4Confident85.2Confident63 Ų63105.7 Ų105.744%0.44153%0.53SS..Hα-helixtrans-67.6-22.2178.574.40000114.3L586 Y587 F588 P594L586-S590 WeakPolarHBondContact O-CB 2.86Å; L586-S590 PolarHBondContact O-N 3.42Å; Y587-S590 WeakPolarHBondContact CA-OG 3.41Å; Y587-S590 PolarHBondContact O-N 3.21Å; Y587-S590 VanDerWaalsContact O-N 3.12Å; Y587-S590 PolarHBondContact O-OG 3.37Å; F588-S590 VanDerWaalsContact C-N 3.31Å; F588-S590 PolarHBondContact O-N 3.4Å; S590-P594 WeakPolarHBondContact O-CD 3.24Å; S590-P594 WeakPolarHBondContact O-CG 3.47Å
591F85.3Confident84.9Confident142 Ų142105.9 Ų105.962%0.62354%0.535SS*.Hα-helixtrans-83.9-32.6171.8-69.8-53.7000112.8Y587 F588 L589 P594 L595Y587-F591 VanDerWaalsContact O-CD2 3.24Å; Y587-F591 WeakPolarHBondContact O-CD2 3.16Å; Y587-F591 PolarHBondContact O-N 2.99Å; Y587-F591 VanDerWaalsContact O-N 3.1Å; F588-F591 PolarHBondContact O-N 3.21Å; L589-F591 VanDerWaalsContact C-N 3.28Å; L589-F591 PolarHBondContact O-N 3.12Å; F591-P594 WeakPolarHBondContact O-CD 3.4Å; F591-P594 WeakPolarHBondContact O-CG 3.47Å; F591-L595 WeakPolarHBondContact O-CB 3.32Å; F591-L595 PolarHBondContact O-N 3.49Å
592F86.5Confident84.3Confident129 Ų129104.9 Ų104.957%0.56654%0.536SS*.Hα-helixtrans-69.3-41-178.6-168.2-108.9000112.7F588 L589 L595 I596F588-F592 PolarHBondContact O-N 3.41Å; F588-F592 VanDerWaalsContact O-N 3.1Å; L589-F592 PolarHBondContact O-N 2.88Å; F592-L595 PolarHBondContact O-N 3.26Å; F592-I596 HydrophobicContact CD1-CD1 3.6Å; F592-I596 HydrophobicContact CD1-CG1 4.48Å; F592-I596 HydrophobicContact CE1-CD1 3.19Å; F592-I596 HydrophobicContact CE1-CG1 4.2Å; F592-I596 HydrophobicContact CG-CD1 4.44Å; F592-I596 HydrophobicContact CZ-CD1 3.71Å; F592-I596 HydrophobicContact CZ-CG1 4.36Å; F592-I596 PolarHBondContact O-N 3Å; F592-I596 VanDerWaalsContact O-N 3.09Å
593F84.1Confident82.9Confident134 Ų134109.8 Ų109.859%0.58856%0.556SS**Hα-helixtrans-57.8-54.8178.2-86.7-68.1000114.5L589 L595 I596 L597L589-F593 HydrophobicContact CD2-CD2 4.28Å; L589-F593 HydrophobicContact CD2-CE2 3.71Å; L589-F593 WeakPolarHBondContact O-CD2 3.45Å; L589-F593 PolarHBondContact O-N 3.47Å; F593-L595 PolarHBondContact O-N 3.3Å; F593-I596 PolarHBondContact O-N 2.93Å; F593-L597 WeakPolarHBondContact O-CB 3.35Å; F593-L597 PolarHBondContact O-N 2.98Å
594P83.3Confident82.6Confident62 Ų62110.1 Ų110.140%0.40356%0.558SS.*Hα-helixtrans-65-29.4177.923.3-31.1000111.9S590 F591 L597 T598S590-P594 WeakPolarHBondContact O-CD 3.24Å; S590-P594 WeakPolarHBondContact O-CG 3.47Å; F591-P594 WeakPolarHBondContact O-CD 3.4Å; F591-P594 WeakPolarHBondContact O-CG 3.47Å; P594-L597 CarbonylContact O-C 3.57Å; P594-L597 PolarHBondContact O-N 2.89Å; P594-T598 WeakPolarHBondContact O-CB 3.1Å; P594-T598 VanDerWaalsContact O-CG2 3.3Å; P594-T598 WeakPolarHBondContact O-CG2 3.17Å; P594-T598 PolarHBondContact O-N 3.48Å; P594-T598 PolarHBondContact O-OG1 2.96Å
595L84Confident82.3Confident103 Ų103109.6 Ų109.654%0.53956%0.555SS.*Hα-helixtrans-66.2-42.6177.5-156144000111.6F591 F592 F593 T598 L599F591-L595 WeakPolarHBondContact O-CB 3.32Å; F591-L595 PolarHBondContact O-N 3.49Å; F592-L595 PolarHBondContact O-N 3.26Å; F593-L595 PolarHBondContact O-N 3.3Å; L595-T598 WeakPolarHBondContact CA-OG1 3.4Å; L595-T598 PolarHBondContact O-OG1 3.34Å; L595-L599 HydrophobicContact CD2-CD1 3.78Å; L595-L599 WeakPolarHBondContact O-CB 3.42Å; L595-L599 WeakPolarHBondContact O-CG 3.41Å; L595-L599 PolarHBondContact O-N 3.35Å
596I84.8Confident81.9Confident68 Ų68106.4 Ų106.435%0.34955%0.546SS..Hα-helixtrans-61.8-45.1169.6-70.9170.7000110.8F592 F593 T598 L599 L600F592-I596 HydrophobicContact CD1-CD1 3.6Å; F592-I596 HydrophobicContact CD1-CG1 4.48Å; F592-I596 HydrophobicContact CE1-CD1 3.19Å; F592-I596 HydrophobicContact CE1-CG1 4.2Å; F592-I596 HydrophobicContact CG-CD1 4.44Å; F592-I596 HydrophobicContact CZ-CD1 3.71Å; F592-I596 HydrophobicContact CZ-CG1 4.36Å; F592-I596 PolarHBondContact O-N 3Å; F592-I596 VanDerWaalsContact O-N 3.09Å; F593-I596 PolarHBondContact O-N 2.93Å; I596-T598 PolarHBondContact O-N 3.48Å; I596-L599 PolarHBondContact O-N 3.09Å; I596-L600 HydrophobicContact CG2-CD1 3.77Å; I596-L600 WeakPolarHBondContact O-CB 3.42Å; I596-L600 PolarHBondContact O-N 3.3Å
597L82.8Confident81.6Confident100 Ų100107.2 Ų107.252%0.52455%0.55SS..Hα-helixtrans-66.6-37.5-176.8-137.3154.4000111.7F593 P594 L600 L601F593-L597 WeakPolarHBondContact O-CB 3.35Å; F593-L597 PolarHBondContact O-N 2.98Å; P594-L597 CarbonylContact O-C 3.57Å; P594-L597 PolarHBondContact O-N 2.89Å; L597-L600 PolarHBondContact O-N 2.73Å; L597-L601 HydrophobicContact CD2-CD1 3.41Å; L597-L601 VanDerWaalsContact CD2-CD1 3.41Å; L597-L601 HydrophobicContact CD2-CG 4.11Å; L597-L601 VanDerWaalsContact O-CB 3.32Å; L597-L601 WeakPolarHBondContact O-CB 3.33Å; L597-L601 WeakPolarHBondContact O-CG 3.45Å; L597-L601 PolarHBondContact O-N 3.41Å
598T84.8Confident81.2Confident69 Ų69109.1 Ų109.142%0.42357%0.565SS.*Hα-helixtrans-68.9-40.1173.451.60000111.6P594 L595 I596 L600 L601 I602P594-T598 WeakPolarHBondContact O-CB 3.1Å; P594-T598 VanDerWaalsContact O-CG2 3.3Å; P594-T598 WeakPolarHBondContact O-CG2 3.17Å; P594-T598 PolarHBondContact O-N 3.48Å; P594-T598 PolarHBondContact O-OG1 2.96Å; L595-T598 WeakPolarHBondContact CA-OG1 3.4Å; L595-T598 PolarHBondContact O-OG1 3.34Å; I596-T598 PolarHBondContact O-N 3.48Å; T598-L600 VanDerWaalsContact C-N 3.34Å; T598-L600 PolarHBondContact O-N 3.2Å; T598-L601 PolarHBondContact O-N 3.27Å; T598-I602 WeakPolarHBondContact O-CB 3.48Å; T598-I602 WeakPolarHBondContact O-CD1 3.39Å; T598-I602 WeakPolarHBondContact O-CG1 3.46Å; T598-I602 PolarHBondContact O-N 3.26Å
599L81.3Confident80.9Confident102 Ų102106.8 Ų106.853%0.53456%0.561SS.*Hα-helixtrans-61.4-45174.6-82.9160.1000110.8L595 I596 L601 I602 T603L595-L599 HydrophobicContact CD2-CD1 3.78Å; L595-L599 WeakPolarHBondContact O-CB 3.42Å; L595-L599 WeakPolarHBondContact O-CG 3.41Å; L595-L599 PolarHBondContact O-N 3.35Å; I596-L599 PolarHBondContact O-N 3.09Å; L599-L601 VanDerWaalsContact C-N 3.34Å; L599-L601 PolarHBondContact O-N 3.1Å; L599-I602 PolarHBondContact O-N 3.44Å; L599-T603 WeakPolarHBondContact O-CG2 3.47Å; L599-T603 PolarHBondContact O-N 3Å; L599-T603 PolarHBondContact O-OG1 3.02Å
600L80.2Confident80.5Confident118 Ų118108.9 Ų108.962%0.61857%0.571SS**Hα-helixtrans-67.8-27176.9-82.2164000114.5I596 L597 T598 T603I596-L600 HydrophobicContact CG2-CD1 3.77Å; I596-L600 WeakPolarHBondContact O-CB 3.42Å; I596-L600 PolarHBondContact O-N 3.3Å; L597-L600 PolarHBondContact O-N 2.73Å; T598-L600 VanDerWaalsContact C-N 3.34Å; T598-L600 PolarHBondContact O-N 3.2Å; L600-T603 PolarHBondContact O-OG1 2.91Å
601L77.9Confident80Confident134 Ų134112.4 Ų112.470%0.70258%0.582SS**Hα-helixtrans-89.1-20.5177-82.2167.9000113.2L597 T598 L599L597-L601 HydrophobicContact CD2-CD1 3.41Å; L597-L601 VanDerWaalsContact CD2-CD1 3.41Å; L597-L601 HydrophobicContact CD2-CG 4.11Å; L597-L601 VanDerWaalsContact O-CB 3.32Å; L597-L601 WeakPolarHBondContact O-CB 3.33Å; L597-L601 WeakPolarHBondContact O-CG 3.45Å; L597-L601 PolarHBondContact O-N 3.41Å; T598-L601 PolarHBondContact O-N 3.27Å; L599-L601 VanDerWaalsContact C-N 3.34Å; L599-L601 PolarHBondContact O-N 3.1Å
602I70Confident79.6Confident147 Ų147109.9 Ų109.975%0.75458%0.578SS**Hα-helixtrans-94.8-22.3-179.7-66.2167.2000111.4T598 L599T598-I602 WeakPolarHBondContact O-CB 3.48Å; T598-I602 WeakPolarHBondContact O-CD1 3.39Å; T598-I602 WeakPolarHBondContact O-CG1 3.46Å; T598-I602 PolarHBondContact O-N 3.26Å; L599-I602 PolarHBondContact O-N 3.44Å
603T55.3Low78.9Confident153 Ų153108.2 Ų108.294%0.93958%0.579SS**  trans-81.20160.557.70000110.7L599 L600L599-T603 WeakPolarHBondContact O-CG2 3.47Å; L599-T603 PolarHBondContact O-N 3Å; L599-T603 PolarHBondContact O-OG1 3.02Å; L600-T603 PolarHBondContact O-OG1 2.91Å

Retrieved 603 of 603 residues in 359 ms (Link to these results)

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