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UPF0346 protein SAV1421

AlphaFold DB (Q2FYL1), UniProt , Accession Q99U66, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene n/a, Length 73 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
1M74.9Confident94.4Very high209 Ų20965.8 Ų65.8100%1.0331%0.312SS*.  0132.50-127.8139.590.200107.6L71M1-L71 WeakPolarHBondContact CG-O 3.4Å
2K86.7Confident94.7Very high67 Ų6768 Ų6829%0.29133%0.333SS..  trans-63.8146.3176.7-78.3-177.5-170.31300110Y4 W70 L71 F73K2-Y4 HydrophobicContact CB-CD2 3.8Å; K2-Y4 HydrophobicContact CB-CE2 4.04Å; K2-Y4 HydrophobicContact CD-CD2 4.35Å; K2-Y4 HydrophobicContact CD-CE2 4.25Å; K2-Y4 HydrophobicContact CG-CD2 4.22Å; K2-Y4 HydrophobicContact CG-CE2 4.01Å; K2-W70 HydrophobicContact CD-CD2 4.02Å; K2-W70 HydrophobicContact CD-CE3 4.02Å; K2-W70 HydrophobicContact CD-CH2 3.74Å; K2-W70 HydrophobicContact CD-CZ2 3.71Å; K2-W70 HydrophobicContact CD-CZ3 3.89Å; K2-W70 PolarHBondContact NZ-O 2.86Å; K2-L71 HydrophobicContact CB-CD2 3.8Å; K2-L71 PolarHBondContact N-O 3.07Å; K2-F73 WeakPolarHBondContact CD-OXT 3.48Å; K2-F73 WeakPolarHBondContact CE-OXT 3.25Å; K2-F73 WeakPolarHBondContact CG-OXT 3.4Å; K2-F73 PolarHBondContact NZ-OXT 3.24Å
3N91.3Very high95Very high144 Ų14463.1 Ų63.177%0.7731%0.31SS*.  trans-127.288.4172.5-175.93.5000107.3
4Y96.5Very high95.2Very high108 Ų10864.8 Ų64.842%0.42431%0.311SS..  trans-133.7150.4179.4-69.8-90.2000107.5K2 Q8 Y67 W70K2-Y4 HydrophobicContact CB-CD2 3.8Å; K2-Y4 HydrophobicContact CB-CE2 4.04Å; K2-Y4 HydrophobicContact CD-CD2 4.35Å; K2-Y4 HydrophobicContact CD-CE2 4.25Å; K2-Y4 HydrophobicContact CG-CD2 4.22Å; K2-Y4 HydrophobicContact CG-CE2 4.01Å; Y4-Q8 HydrophobicContact CD1-CB 4.07Å; Y4-Q8 HydrophobicContact CD1-CG 4.49Å; Y4-Y67 PolarHBondContact O-OH 3.02Å; Y4-W70 HydrophobicContact CD1-CH2 4.37Å; Y4-W70 AromaticContact CD2-CH2 3.46Å; Y4-W70 HydrophobicContact CD2-CH2 3.46Å; Y4-W70 VanDerWaalsContact CD2-CH2 3.46Å; Y4-W70 AromaticContact CD2-CZ3 3.82Å; Y4-W70 HydrophobicContact CD2-CZ3 3.82Å; Y4-W70 AromaticContact CE2-CH2 3.98Å; Y4-W70 HydrophobicContact CE2-CH2 3.98Å; Y4-W70 AromaticContact CG-CH2 3.69Å; Y4-W70 HydrophobicContact CG-CH2 3.69Å; Y4-W70 HydrophobicContact CG-CZ3 4.02Å
5S97.9Very high95.4Very high8 Ų863.9 Ų63.96%0.05633%0.326CS..  trans-72.1164.1170.964.80000111.5Y7 Q8 F9 K35 D37S5-Y7 VanDerWaalsContact C-N 3.26Å; S5-Y7 PolarHBondContact O-N 3.36Å; S5-Q8 PolarHBondContact O-N 2.62Å; S5-Q8 WeakPolarHBondContact OG-CG 3.47Å; S5-Q8 PolarHBondContact OG-N 3.42Å; S5-F9 PolarHBondContact O-N 3.45Å; S5-K35 VanDerWaalsContact CB-O 3.27Å; S5-K35 WeakPolarHBondContact CB-O 3.48Å; S5-K35 PolarHBondContact OG-O 2.65Å; S5-D37 WeakPolarHBondContact CB-O 3.24Å
6F98.6Very high95.6Very high0 Ų065.3 Ų65.30%033%0.326CS..Hα-helixtrans-56.6-43.7172.3177-109.4000111.1Q8 F9 V10 I27 F33 D37 L43 F60 L63 Y64 Y67F6-Q8 VanDerWaalsContact C-N 3.32Å; F6-Q8 PolarHBondContact O-N 3.06Å; F6-F9 HydrophobicContact CE2-CD1 4.49Å; F6-F9 WeakPolarHBondContact O-CB 3.17Å; F6-F9 PolarHBondContact O-N 3.02Å; F6-F9 VanDerWaalsContact O-N 3.1Å; F6-V10 HydrophobicContact CD1-CG2 3.81Å; F6-V10 HydrophobicContact CD2-CG2 4.25Å; F6-V10 HydrophobicContact CE1-CG2 3.47Å; F6-V10 VanDerWaalsContact CE1-CG2 3.47Å; F6-V10 HydrophobicContact CE2-CG2 3.92Å; F6-V10 HydrophobicContact CG-CG2 4.2Å; F6-V10 HydrophobicContact CZ-CG2 3.53Å; F6-V10 VanDerWaalsContact O-CG2 3.31Å; F6-V10 WeakPolarHBondContact O-CG2 3.4Å; F6-V10 PolarHBondContact O-N 3.26Å; F6-I27 HydrophobicContact CE1-CD1 3.86Å; F6-I27 HydrophobicContact CZ-CD1 4.46Å; F6-F33 HydrophobicContact CD1-CE1 4.14Å; F6-F33 AromaticContact CD1-CZ 3.87Å; F6-F33 HydrophobicContact CD1-CZ 3.87Å; F6-F33 HydrophobicContact CE1-CZ 4.06Å; F6-D37 PolarHBondContact N-O 3.34Å; F6-L43 HydrophobicContact CB-CD1 3.42Å; F6-L43 VanDerWaalsContact CB-CD1 3.42Å; F6-L43 HydrophobicContact CD1-CD1 3.94Å; F6-L43 HydrophobicContact CD1-CD2 4.32Å; F6-L43 HydrophobicContact CG-CD1 3.76Å; F6-F60 HydrophobicContact CE1-CD2 4.13Å; F6-F60 AromaticContact CE1-CE2 3.88Å; F6-F60 HydrophobicContact CE1-CE2 3.88Å; F6-F60 HydrophobicContact CE2-CE2 4.46Å; F6-F60 AromaticContact CZ-CD2 3.89Å; F6-F60 HydrophobicContact CZ-CD2 3.89Å; F6-F60 AromaticContact CZ-CE2 3.83Å; F6-F60 HydrophobicContact CZ-CE2 3.83Å; F6-L63 HydrophobicContact CE2-CG 4.15Å; F6-L63 HydrophobicContact CZ-CD2 4.02Å; F6-L63 HydrophobicContact CZ-CG 4.03Å; F6-Y64 AromaticContact CD2-CD2 3.9Å; F6-Y64 HydrophobicContact CD2-CD2 3.9Å; F6-Y64 HydrophobicContact CE2-CD2 4.11Å; F6-Y64 HydrophobicContact CG-CD2 4.49Å; F6-Y67 HydrophobicContact CB-CD1 4.42Å; F6-Y67 HydrophobicContact CB-CE1 4.23Å; F6-Y67 AromaticContact CD2-CD1 3.8Å; F6-Y67 HydrophobicContact CD2-CD1 3.8Å; F6-Y67 HydrophobicContact CD2-CD2 4.47Å; F6-Y67 HydrophobicContact CD2-CE1 4.43Å; F6-Y67 AromaticContact CD2-CG 3.81Å; F6-Y67 HydrophobicContact CD2-CG 3.81Å
7Y98.6Very high95.7Very high33 Ų3373.2 Ų73.213%0.12936%0.361CS..Hα-helixtrans-56.2-42.7177.4179.5-91.9000112.9S5 F9 V10 M11 I27 F33 K35S5-Y7 VanDerWaalsContact C-N 3.26Å; S5-Y7 PolarHBondContact O-N 3.36Å; Y7-F9 VanDerWaalsContact C-N 3.31Å; Y7-F9 PolarHBondContact O-N 2.84Å; Y7-V10 PolarHBondContact O-N 2.69Å; Y7-M11 HydrophobicContact CD1-CG 4.26Å; Y7-M11 HydrophobicContact CD2-CE 4.17Å; Y7-M11 HydrophobicContact CE1-CE 4.19Å; Y7-M11 HydrophobicContact CE1-CG 3.84Å; Y7-M11 HydrophobicContact CE1-SD 3.99Å; Y7-M11 HydrophobicContact CE2-CE 3.66Å; Y7-M11 HydrophobicContact CE2-SD 4.38Å; Y7-M11 WeakPolarHBondContact O-CG 3.15Å; Y7-M11 PolarHBondContact O-N 2.69Å; Y7-I27 HydrophobicContact CD2-CG2 3.83Å; Y7-I27 HydrophobicContact CE2-CG2 4.2Å; Y7-F33 AromaticContact CD2-CD1 3.73Å; Y7-F33 HydrophobicContact CD2-CD1 3.73Å; Y7-F33 HydrophobicContact CD2-CE1 4.28Å; Y7-F33 HydrophobicContact CG-CD1 4.41Å; Y7-K35 HydrophobicContact CD1-CB 4.02Å; Y7-K35 HydrophobicContact CD1-CD 4.31Å; Y7-K35 HydrophobicContact CD1-CG 4.03Å; Y7-K35 HydrophobicContact CD2-CB 4.47Å; Y7-K35 HydrophobicContact CD2-CD 4.4Å; Y7-K35 HydrophobicContact CD2-CG 3.85Å; Y7-K35 HydrophobicContact CE1-CD 3.96Å; Y7-K35 HydrophobicContact CE1-CG 4.18Å; Y7-K35 HydrophobicContact CE2-CD 4.04Å; Y7-K35 HydrophobicContact CE2-CG 3.98Å; Y7-K35 HydrophobicContact CG-CB 4Å; Y7-K35 HydrophobicContact CG-CG 3.86Å
8Q98.2Very high95.9Very high92 Ų9272.3 Ų72.343%0.4336%0.358SS..Hα-helixtrans-64.1-37.5178.7-74.3172.4-39.700112.2Y4 S5 F6Y4-Q8 HydrophobicContact CD1-CB 4.07Å; Y4-Q8 HydrophobicContact CD1-CG 4.49Å; S5-Q8 PolarHBondContact O-N 2.62Å; S5-Q8 WeakPolarHBondContact OG-CG 3.47Å; S5-Q8 PolarHBondContact OG-N 3.42Å; F6-Q8 VanDerWaalsContact C-N 3.32Å; F6-Q8 PolarHBondContact O-N 3.06Å
9F98.4Very high96Very high8 Ų872.2 Ų72.24%0.03536%0.359CS..Hα-helixtrans-65.8-46.4171.5164.7-99.7000111.5S5 F6 Y7 M11 T12 V13 L63 E66 Y67 W70S5-F9 PolarHBondContact O-N 3.45Å; F6-F9 HydrophobicContact CE2-CD1 4.49Å; F6-F9 WeakPolarHBondContact O-CB 3.17Å; F6-F9 PolarHBondContact O-N 3.02Å; F6-F9 VanDerWaalsContact O-N 3.1Å; Y7-F9 VanDerWaalsContact C-N 3.31Å; Y7-F9 PolarHBondContact O-N 2.84Å; F9-M11 PolarHBondContact O-N 3.32Å; F9-T12 WeakPolarHBondContact O-CA 3.34Å; F9-T12 WeakPolarHBondContact O-CB 2.98Å; F9-T12 PolarHBondContact O-N 2.78Å; F9-T12 PolarHBondContact O-OG1 3.34Å; F9-V13 HydrophobicContact CD1-CG2 4.23Å; F9-V13 HydrophobicContact CE1-CG2 3.73Å; F9-V13 HydrophobicContact CE2-CG2 4.19Å; F9-V13 HydrophobicContact CZ-CG2 3.7Å; F9-L63 HydrophobicContact CE1-CD1 3.71Å; F9-L63 HydrophobicContact CE1-CG 4.26Å; F9-L63 HydrophobicContact CZ-CD1 4.32Å; F9-E66 HydrophobicContact CE1-CB 4.44Å; F9-E66 HydrophobicContact CZ-CB 3.89Å; F9-Y67 HydrophobicContact CB-CD2 3.46Å; F9-Y67 VanDerWaalsContact CB-CD2 3.46Å; F9-Y67 HydrophobicContact CB-CE2 4.04Å; F9-Y67 HydrophobicContact CB-CG 4.41Å; F9-Y67 AromaticContact CD1-CD2 3.98Å; F9-Y67 HydrophobicContact CD1-CD2 3.98Å; F9-Y67 HydrophobicContact CD1-CG 4.14Å; F9-Y67 HydrophobicContact CD2-CD2 4.39Å; F9-Y67 AromaticContact CG-CD2 3.69Å; F9-Y67 HydrophobicContact CG-CD2 3.69Å; F9-Y67 HydrophobicContact CG-CG 4.3Å; F9-W70 HydrophobicContact CB-CE3 4.2Å; F9-W70 HydrophobicContact CB-CZ3 4.17Å; F9-W70 HydrophobicContact CD2-CB 3.96Å; F9-W70 AromaticContact CD2-CD2 3.64Å; F9-W70 HydrophobicContact CD2-CD2 3.64Å; F9-W70 AromaticContact CD2-CE3 3.83Å; F9-W70 HydrophobicContact CD2-CE3 3.83Å; F9-W70 AromaticContact CD2-CG 3.7Å; F9-W70 HydrophobicContact CD2-CG 3.7Å; F9-W70 HydrophobicContact CD2-CZ3 4.49Å; F9-W70 HydrophobicContact CE2-CB 3.74Å; F9-W70 HydrophobicContact CE2-CD2 4.25Å; F9-W70 AromaticContact CE2-CG 3.81Å; F9-W70 HydrophobicContact CE2-CG 3.81Å; F9-W70 HydrophobicContact CG-CE3 4.38Å
10V98.6Very high96.1Very high0 Ų070.3 Ų70.30%035%0.348CS..Hα-helixtrans-55.7-35178.7171.30000112.1F6 Y7 T12 V13 R14 A24 I27 L63F6-V10 HydrophobicContact CD1-CG2 3.81Å; F6-V10 HydrophobicContact CD2-CG2 4.25Å; F6-V10 HydrophobicContact CE1-CG2 3.47Å; F6-V10 VanDerWaalsContact CE1-CG2 3.47Å; F6-V10 HydrophobicContact CE2-CG2 3.92Å; F6-V10 HydrophobicContact CG-CG2 4.2Å; F6-V10 HydrophobicContact CZ-CG2 3.53Å; F6-V10 VanDerWaalsContact O-CG2 3.31Å; F6-V10 WeakPolarHBondContact O-CG2 3.4Å; F6-V10 PolarHBondContact O-N 3.26Å; Y7-V10 PolarHBondContact O-N 2.69Å; V10-T12 PolarHBondContact O-N 3.05Å; V10-T12 VanDerWaalsContact O-N 3.11Å; V10-V13 WeakPolarHBondContact O-CB 3.27Å; V10-V13 PolarHBondContact O-N 3.13Å; V10-R14 PolarHBondContact O-N 2.85Å; V10-A24 HydrophobicContact CG1-CB 3.57Å; V10-I27 HydrophobicContact CG1-CB 4.05Å; V10-I27 HydrophobicContact CG1-CD1 4.04Å; V10-I27 HydrophobicContact CG1-CG2 3.92Å; V10-I27 HydrophobicContact CG2-CD1 4.13Å; V10-L63 HydrophobicContact CG2-CD2 4.18Å
11M98.4Very high96.3Very high55 Ų5567 Ų6727%0.27133%0.333SS..Hα-helixtrans-59.5-23.5174.2-67-56.994.800113.9Y7 F9 R14 F28Y7-M11 HydrophobicContact CD1-CG 4.26Å; Y7-M11 HydrophobicContact CD2-CE 4.17Å; Y7-M11 HydrophobicContact CE1-CE 4.19Å; Y7-M11 HydrophobicContact CE1-CG 3.84Å; Y7-M11 HydrophobicContact CE1-SD 3.99Å; Y7-M11 HydrophobicContact CE2-CE 3.66Å; Y7-M11 HydrophobicContact CE2-SD 4.38Å; Y7-M11 WeakPolarHBondContact O-CG 3.15Å; Y7-M11 PolarHBondContact O-N 2.69Å; F9-M11 PolarHBondContact O-N 3.32Å; M11-R14 HydrophobicContact CE-CG 4.49Å; M11-F28 HydrophobicContact CE-CB 3.98Å; M11-F28 HydrophobicContact CE-CD2 4.1Å; M11-F28 HydrophobicContact SD-CD2 3.76Å; M11-F28 HydrophobicContact SD-CE2 4.49Å
12T97.9Very high97.4Very high92 Ų9263.7 Ų63.756%0.56431%0.309SS*.Hα-helixtrans-84.2-17.3175.175.80000113.5F9 V10F9-T12 WeakPolarHBondContact O-CA 3.34Å; F9-T12 WeakPolarHBondContact O-CB 2.98Å; F9-T12 PolarHBondContact O-N 2.78Å; F9-T12 PolarHBondContact O-OG1 3.34Å; V10-T12 PolarHBondContact O-N 3.05Å; V10-T12 VanDerWaalsContact O-N 3.11Å
13V98.5Very high97.9Very high4 Ų460.7 Ų60.72%0.02430%0.296CS..Hα-helixtrans-89.6-21.5-176.8177.10000111.2F9 V10 R16 K20 A24 L63F9-V13 HydrophobicContact CD1-CG2 4.23Å; F9-V13 HydrophobicContact CE1-CG2 3.73Å; F9-V13 HydrophobicContact CE2-CG2 4.19Å; F9-V13 HydrophobicContact CZ-CG2 3.7Å; V10-V13 WeakPolarHBondContact O-CB 3.27Å; V10-V13 PolarHBondContact O-N 3.13Å; V13-R16 WeakPolarHBondContact O-CB 3.35Å; V13-R16 WeakPolarHBondContact O-CD 3.2Å; V13-R16 VanDerWaalsContact O-CG 3.22Å; V13-R16 WeakPolarHBondContact O-CG 3.42Å; V13-R16 PolarHBondContact O-N 2.82Å; V13-K20 HydrophobicContact CG1-CB 4.1Å; V13-A24 HydrophobicContact CB-CB 4.07Å; V13-A24 HydrophobicContact CG1-CB 4Å; V13-L63 HydrophobicContact CB-CD1 4.46Å; V13-L63 HydrophobicContact CG1-CD1 3.8Å; V13-L63 HydrophobicContact CG2-CD1 4.03Å
14R98.4Very high98.3Very high87 Ų8753.9 Ų53.933%0.32826%0.259SS..THydrogen-bonded Turntrans-48.3143.4173.3-71.9-172.966.7-174.89.8112.6V10 M11 R16 A24 E25 F28V10-R14 PolarHBondContact O-N 2.85Å; M11-R14 HydrophobicContact CE-CG 4.49Å; R14-R16 VanDerWaalsContact C-N 3.26Å; R14-R16 PolarHBondContact O-N 3.24Å; R14-A24 HydrophobicContact CG-CB 3.89Å; R14-E25 VanDerWaalsContact CB-OE1 3.28Å; R14-E25 WeakPolarHBondContact CB-OE1 3.43Å; R14-E25 IonicContact CZ-OE1 3.72Å; R14-E25 IonicContact CZ-OE2 3.47Å; R14-E25 VanDerWaalsContact CZ-OE2 3.3Å; R14-E25 IonicContact NE-OE1 2.7Å; R14-E25 PolarHBondContact NE-OE1 3.06Å; R14-E25 VanDerWaalsContact NE-OE1 3.16Å; R14-E25 IonicContact NE-OE2 2.63Å; R14-E25 PolarHBondContact NE-OE2 2.65Å; R14-E25 IonicContact NH2-OE1 3.86Å; R14-E25 IonicContact NH2-OE2 3.29Å; R14-E25 PolarHBondContact NH2-OE2 2.95Å; R14-F28 VanDerWaalsContact CZ-CD1 3.48Å; R14-F28 VanDerWaalsContact CZ-CG 3.44Å
15G97.8Very high98.4Very high52 Ų5251.7 Ų51.754%0.53625%0.253SS..THydrogen-bonded Turntrans75.5-1.2-177.300000116E25G15-E25 PolarHBondContact N-OE1 2.93Å
16R98.4Very high98.4Very high85 Ų8553.4 Ų53.432%0.32126%0.26SS..  trans-62.1141.8166.8-74.2168.166.4160.71.9110.3V13 R14 D18 E66V13-R16 WeakPolarHBondContact O-CB 3.35Å; V13-R16 WeakPolarHBondContact O-CD 3.2Å; V13-R16 VanDerWaalsContact O-CG 3.22Å; V13-R16 WeakPolarHBondContact O-CG 3.42Å; V13-R16 PolarHBondContact O-N 2.82Å; R14-R16 VanDerWaalsContact C-N 3.26Å; R14-R16 PolarHBondContact O-N 3.24Å; R16-D18 VanDerWaalsContact CB-OD1 3.29Å; R16-D18 WeakPolarHBondContact CB-OD1 3.34Å; R16-D18 IonicContact CZ-OD2 3.02Å; R16-D18 VanDerWaalsContact CZ-OD2 3.27Å; R16-D18 IonicContact NE-OD1 3.16Å; R16-D18 PolarHBondContact NE-OD1 3.4Å; R16-D18 IonicContact NE-OD2 3.93Å; R16-D18 PolarHBondContact NE-OD2 3Å; R16-D18 IonicContact NH2-OD2 4Å; R16-D18 PolarHBondContact NH2-OD2 3.09Å; R16-D18 PolarHBondContact O-N 3.14Å; R16-E66 IonicContact CZ-OE1 3.01Å; R16-E66 IonicContact CZ-OE2 2.65Å; R16-E66 IonicContact NH1-OE1 3.3Å; R16-E66 IonicContact NH1-OE2 2.75Å; R16-E66 PolarHBondContact NH1-OE2 3.36Å; R16-E66 IonicContact NH2-OE1 3.34Å; R16-E66 PolarHBondContact NH2-OE1 3.25Å; R16-E66 IonicContact NH2-OE2 3.27Å
17H97.9Very high98.4Very high201 Ų20153.4 Ų53.493%0.93126%0.26SS*.SBendtrans-90.343178.7-60.5-66.1000112
18D98.5Very high98.3Very high56 Ų5655.3 Ų55.330%0.29927%0.269SS..SBendtrans-139178.8177.763.113.2000110.4R16 K20 G21 R22R16-D18 VanDerWaalsContact CB-OD1 3.29Å; R16-D18 WeakPolarHBondContact CB-OD1 3.34Å; R16-D18 IonicContact CZ-OD2 3.02Å; R16-D18 VanDerWaalsContact CZ-OD2 3.27Å; R16-D18 IonicContact NE-OD1 3.16Å; R16-D18 PolarHBondContact NE-OD1 3.4Å; R16-D18 IonicContact NE-OD2 3.93Å; R16-D18 PolarHBondContact NE-OD2 3Å; R16-D18 IonicContact NH2-OD2 4Å; R16-D18 PolarHBondContact NH2-OD2 3.09Å; R16-D18 PolarHBondContact O-N 3.14Å; D18-K20 PolarHBondContact O-N 3.2Å; D18-K20 WeakPolarHBondContact OD1-CB 3.32Å; D18-K20 PolarHBondContact OD1-N 3.46Å; D18-G21 PolarHBondContact O-N 3.1Å; D18-G21 PolarHBondContact OD1-N 3.29Å; D18-R22 PolarHBondContact O-N 2.86Å
19D98.6Very high98.3Very high70 Ų7056.5 Ų56.537%0.37428%0.278SS..Hα-helixtrans-64.3-30.2-177.5-70.27.4000112.4R22 L23 L55 V59D19-R22 VanDerWaalsContact CG-NH2 3.25Å; D19-R22 PolarHBondContact O-N 3.31Å; D19-R22 IonicContact OD1-CZ 3.97Å; D19-R22 VanDerWaalsContact OD1-CZ 3.29Å; D19-R22 IonicContact OD1-NE 3.59Å; D19-R22 PolarHBondContact OD1-NE 3.29Å; D19-R22 IonicContact OD1-NH2 3.37Å; D19-R22 PolarHBondContact OD1-NH2 3.18Å; D19-R22 IonicContact OD2-NH2 3.24Å; D19-R22 PolarHBondContact OD2-NH2 2.98Å; D19-L23 WeakPolarHBondContact O-CB 3.26Å; D19-L23 PolarHBondContact O-N 3.36Å; D19-L55 VanDerWaalsContact O-CD1 3.25Å; D19-L55 WeakPolarHBondContact O-CD1 3.49Å; D19-V59 HydrophobicContact CB-CG1 3.88Å; D19-V59 HydrophobicContact CB-CG2 4.05Å
20K98.7Very high98.2Very high35 Ų3557.6 Ų57.615%0.15228%0.284CS..Hα-helixtrans-66.8-40.6175.2-70.7173.5174.7172.60111.5V13 D18 L23 A24 V59 D62 L63 E66V13-K20 HydrophobicContact CG1-CB 4.1Å; D18-K20 PolarHBondContact O-N 3.2Å; D18-K20 WeakPolarHBondContact OD1-CB 3.32Å; D18-K20 PolarHBondContact OD1-N 3.46Å; K20-L23 PolarHBondContact O-N 3.36Å; K20-A24 WeakPolarHBondContact O-CB 3.47Å; K20-A24 PolarHBondContact O-N 2.88Å; K20-V59 HydrophobicContact CG-CG1 4.23Å; K20-D62 PolarHBondContact NZ-O 2.91Å; K20-L63 HydrophobicContact CB-CD1 4.11Å; K20-L63 HydrophobicContact CD-CD1 4.31Å; K20-L63 HydrophobicContact CG-CB 4.33Å; K20-L63 HydrophobicContact CG-CD1 4.2Å; K20-E66 WeakPolarHBondContact CD-OE1 3.37Å; K20-E66 WeakPolarHBondContact CE-OE1 3.42Å; K20-E66 IonicContact NZ-OE1 2.75Å; K20-E66 PolarHBondContact NZ-OE1 3.22Å
21G98.6Very high98.1Very high2 Ų264.6 Ų64.62%0.02132%0.321CS..Hα-helixtrans-62.7-41.317100000112.8D18 A24 E25D18-G21 PolarHBondContact O-N 3.1Å; D18-G21 PolarHBondContact OD1-N 3.29Å; G21-A24 WeakPolarHBondContact O-CB 3.21Å; G21-A24 PolarHBondContact O-N 3.13Å; G21-E25 PolarHBondContact O-N 3.31Å; G21-E25 VanDerWaalsContact O-N 3.15Å
22R98.5Very high98Very high139 Ų13965.6 Ų65.653%0.52534%0.338SS..Hα-helixtrans-63.4-45.8175.2-66.4-166.9-68.2168.43.2112D18 D19 A24 E25 E26 L55D18-R22 PolarHBondContact O-N 2.86Å; D19-R22 VanDerWaalsContact CG-NH2 3.25Å; D19-R22 PolarHBondContact O-N 3.31Å; D19-R22 IonicContact OD1-CZ 3.97Å; D19-R22 VanDerWaalsContact OD1-CZ 3.29Å; D19-R22 IonicContact OD1-NE 3.59Å; D19-R22 PolarHBondContact OD1-NE 3.29Å; D19-R22 IonicContact OD1-NH2 3.37Å; D19-R22 PolarHBondContact OD1-NH2 3.18Å; D19-R22 IonicContact OD2-NH2 3.24Å; D19-R22 PolarHBondContact OD2-NH2 2.98Å; R22-A24 VanDerWaalsContact C-N 3.27Å; R22-A24 PolarHBondContact O-N 2.68Å; R22-E25 PolarHBondContact O-N 3.43Å; R22-E25 VanDerWaalsContact O-N 3.15Å; R22-E26 PolarHBondContact O-N 3.3Å; R22-E26 VanDerWaalsContact O-N 3.1Å; R22-L55 HydrophobicContact CB-CD1 3.84Å
23L98.5Very high98Very high4 Ų461.5 Ų61.52%0.02131%0.313CS..Hα-helixtrans-60.5-38.4174.9-177.157.9000111.4D19 K20 E25 E26 I27 F53 L55 V59 F60 L63D19-L23 WeakPolarHBondContact O-CB 3.26Å; D19-L23 PolarHBondContact O-N 3.36Å; K20-L23 PolarHBondContact O-N 3.36Å; L23-E25 VanDerWaalsContact C-N 3.3Å; L23-E25 PolarHBondContact O-N 3.04Å; L23-E26 PolarHBondContact O-N 2.81Å; L23-I27 HydrophobicContact CD1-CD1 4.25Å; L23-I27 HydrophobicContact CD1-CG1 4.33Å; L23-I27 HydrophobicContact CG-CD1 3.92Å; L23-I27 HydrophobicContact CG-CG1 4.44Å; L23-I27 WeakPolarHBondContact O-CG1 3.44Å; L23-I27 PolarHBondContact O-N 3.42Å; L23-F53 HydrophobicContact CD1-CD1 3.74Å; L23-F53 HydrophobicContact CD1-CE1 4.23Å; L23-F53 HydrophobicContact CD1-CG 4.46Å; L23-L55 HydrophobicContact CB-CD1 3.69Å; L23-L55 VanDerWaalsContact N-CD1 3.35Å; L23-V59 HydrophobicContact CB-CG1 4.17Å; L23-V59 HydrophobicContact CD2-CB 4.41Å; L23-V59 HydrophobicContact CD2-CG1 3.96Å; L23-F60 HydrophobicContact CD2-CB 3.97Å; L23-L63 HydrophobicContact CD2-CD2 3.88Å; L23-L63 HydrophobicContact CG-CD2 4.29Å
24A98.6Very high98Very high0 Ų062.3 Ų62.30%032%0.318CS..Hα-helixtrans-64.8-31.9177.100000113.4V10 V13 R14 K20 G21 R22 F28V10-A24 HydrophobicContact CG1-CB 3.57Å; V13-A24 HydrophobicContact CB-CB 4.07Å; V13-A24 HydrophobicContact CG1-CB 4Å; R14-A24 HydrophobicContact CG-CB 3.89Å; K20-A24 WeakPolarHBondContact O-CB 3.47Å; K20-A24 PolarHBondContact O-N 2.88Å; G21-A24 WeakPolarHBondContact O-CB 3.21Å; G21-A24 PolarHBondContact O-N 3.13Å; R22-A24 VanDerWaalsContact C-N 3.27Å; R22-A24 PolarHBondContact O-N 2.68Å; A24-F28 WeakPolarHBondContact O-CB 3.47Å; A24-F28 PolarHBondContact O-N 2.8Å; A24-F28 VanDerWaalsContact O-N 3.1Å
25E98.4Very high97.9Very high63 Ų6361.2 Ų61.229%0.29432%0.315SS..Hα-helixtrans-72.1-42.2171.3-61.7-53.7145.800111.5R14 G15 G21 R22 L23 I27 F28 D29R14-E25 VanDerWaalsContact CB-OE1 3.28Å; R14-E25 WeakPolarHBondContact CB-OE1 3.43Å; R14-E25 IonicContact CZ-OE1 3.72Å; R14-E25 IonicContact CZ-OE2 3.47Å; R14-E25 VanDerWaalsContact CZ-OE2 3.3Å; R14-E25 IonicContact NE-OE1 2.7Å; R14-E25 PolarHBondContact NE-OE1 3.06Å; R14-E25 VanDerWaalsContact NE-OE1 3.16Å; R14-E25 IonicContact NE-OE2 2.63Å; R14-E25 PolarHBondContact NE-OE2 2.65Å; R14-E25 IonicContact NH2-OE1 3.86Å; R14-E25 IonicContact NH2-OE2 3.29Å; R14-E25 PolarHBondContact NH2-OE2 2.95Å; G15-E25 PolarHBondContact N-OE1 2.93Å; G21-E25 PolarHBondContact O-N 3.31Å; G21-E25 VanDerWaalsContact O-N 3.15Å; R22-E25 PolarHBondContact O-N 3.43Å; R22-E25 VanDerWaalsContact O-N 3.15Å; L23-E25 VanDerWaalsContact C-N 3.3Å; L23-E25 PolarHBondContact O-N 3.04Å; E25-I27 VanDerWaalsContact C-N 3.35Å; E25-I27 PolarHBondContact O-N 2.93Å; E25-F28 WeakPolarHBondContact O-CB 3.31Å; E25-F28 PolarHBondContact O-N 3.05Å; E25-F28 VanDerWaalsContact O-N 3.11Å; E25-D29 PolarHBondContact O-N 3.22Å
26E98Very high97.9Very high43 Ų4367 Ų6720%0.20133%0.328CS..Hα-helixtrans-59.5-44.4175.2-67.4-177178.500111.7R22 L23 F28 D29 D30 F53 T54R22-E26 PolarHBondContact O-N 3.3Å; R22-E26 VanDerWaalsContact O-N 3.1Å; L23-E26 PolarHBondContact O-N 2.81Å; E26-F28 VanDerWaalsContact C-N 3.3Å; E26-F28 PolarHBondContact O-N 3.45Å; E26-D29 PolarHBondContact O-N 3.36Å; E26-D30 PolarHBondContact O-N 3.41Å; E26-F53 HydrophobicContact CB-CD1 3.78Å; E26-F53 HydrophobicContact CB-CE1 3.99Å; E26-F53 VanDerWaalsContact OE2-CA 3.31Å; E26-F53 WeakPolarHBondContact OE2-CA 3.37Å; E26-F53 WeakPolarHBondContact OE2-CD1 3.43Å; E26-T54 WeakPolarHBondContact OE1-CB 3.31Å; E26-T54 PolarHBondContact OE1-N 3.47Å; E26-T54 PolarHBondContact OE1-OG1 3.06Å; E26-T54 PolarHBondContact OE2-N 2.95Å
27I98.1Very high97.9Very high0 Ų065.5 Ų65.50%033%0.327CS..Hα-helixtrans-64.1-35.3175.3-69.6169.8000111.7F6 Y7 V10 L23 E25 F33 F53F6-I27 HydrophobicContact CE1-CD1 3.86Å; F6-I27 HydrophobicContact CZ-CD1 4.46Å; Y7-I27 HydrophobicContact CD2-CG2 3.83Å; Y7-I27 HydrophobicContact CE2-CG2 4.2Å; V10-I27 HydrophobicContact CG1-CB 4.05Å; V10-I27 HydrophobicContact CG1-CD1 4.04Å; V10-I27 HydrophobicContact CG1-CG2 3.92Å; V10-I27 HydrophobicContact CG2-CD1 4.13Å; L23-I27 HydrophobicContact CD1-CD1 4.25Å; L23-I27 HydrophobicContact CD1-CG1 4.33Å; L23-I27 HydrophobicContact CG-CD1 3.92Å; L23-I27 HydrophobicContact CG-CG1 4.44Å; L23-I27 WeakPolarHBondContact O-CG1 3.44Å; L23-I27 PolarHBondContact O-N 3.42Å; E25-I27 VanDerWaalsContact C-N 3.35Å; E25-I27 PolarHBondContact O-N 2.93Å; I27-F33 HydrophobicContact CD1-CE2 4.26Å; I27-F33 HydrophobicContact CD1-CZ 4.27Å; I27-F33 HydrophobicContact CG1-CD2 4.28Å; I27-F33 HydrophobicContact CG1-CE2 3.93Å; I27-F33 HydrophobicContact CG1-CZ 4.34Å; I27-F33 HydrophobicContact CG2-CD1 3.8Å; I27-F33 HydrophobicContact CG2-CD2 3.93Å; I27-F33 HydrophobicContact CG2-CE1 3.87Å; I27-F33 HydrophobicContact CG2-CE2 4Å; I27-F33 HydrophobicContact CG2-CG 3.83Å; I27-F33 HydrophobicContact CG2-CZ 3.96Å; I27-F53 HydrophobicContact CB-CE1 4.48Å; I27-F53 HydrophobicContact CG1-CE1 3.6Å; I27-F53 HydrophobicContact CG1-CZ 4.05Å
28F98Very high97.8Very high73 Ų7359.7 Ų59.732%0.3230%0.302SS..Hα-helixtrans-67.9-42.1177.5172.1-102.6000112M11 R14 A24 E25 E26 D30M11-F28 HydrophobicContact CE-CB 3.98Å; M11-F28 HydrophobicContact CE-CD2 4.1Å; M11-F28 HydrophobicContact SD-CD2 3.76Å; M11-F28 HydrophobicContact SD-CE2 4.49Å; R14-F28 VanDerWaalsContact CZ-CD1 3.48Å; R14-F28 VanDerWaalsContact CZ-CG 3.44Å; A24-F28 WeakPolarHBondContact O-CB 3.47Å; A24-F28 PolarHBondContact O-N 2.8Å; A24-F28 VanDerWaalsContact O-N 3.1Å; E25-F28 WeakPolarHBondContact O-CB 3.31Å; E25-F28 PolarHBondContact O-N 3.05Å; E25-F28 VanDerWaalsContact O-N 3.11Å; E26-F28 VanDerWaalsContact C-N 3.3Å; E26-F28 PolarHBondContact O-N 3.45Å; F28-D30 VanDerWaalsContact C-N 3.29Å
29D97.1Very high97.8Very high117 Ų11760.2 Ų60.263%0.62631%0.305SS*.Hα-helixtrans-73.1-23.4179.9-72.4-19.8000112.1E25 E26 L31E25-D29 PolarHBondContact O-N 3.22Å; E26-D29 PolarHBondContact O-N 3.36Å; D29-L31 PolarHBondContact O-N 3.04Å; D29-L31 VanDerWaalsContact O-N 3.13Å
30D97.3Very high97.8Very high31 Ų3160.3 Ų60.317%0.16630%0.302CS..  trans-73.598.7170.8-173.2-5.7000112.2E26 F28 A32 F33 Y46E26-D30 PolarHBondContact O-N 3.41Å; F28-D30 VanDerWaalsContact C-N 3.29Å; D30-A32 PolarHBondContact O-N 3.39Å; D30-A32 WeakPolarHBondContact OD1-CA 3.41Å; D30-A32 PolarHBondContact OD1-N 2.78Å; D30-F33 HydrophobicContact CB-CB 4.2Å; D30-F33 WeakPolarHBondContact O-CB 3.13Å; D30-F33 PolarHBondContact O-N 3.07Å; D30-F33 PolarHBondContact OD1-N 3.43Å; D30-Y46 PolarHBondContact OD1-OH 3.03Å; D30-Y46 VanDerWaalsContact OD1-OH 3.13Å; D30-Y46 WeakPolarHBondContact OD2-CE1 3.46Å; D30-Y46 VanDerWaalsContact OD2-CZ 3.29Å; D30-Y46 PolarHBondContact OD2-OH 3.43Å
31L95.9Very high97.7Very high148 Ų14864 Ų6478%0.77532%0.324SS*.THydrogen-bonded Turntrans-67.3-22.8178.3-60.7-177.3000113.8D29D29-L31 PolarHBondContact O-N 3.04Å; D29-L31 VanDerWaalsContact O-N 3.13Å
32A96.6Very high97.7Very high75 Ų7567.6 Ų67.662%0.6234%0.342SS*.THydrogen-bonded Turntrans-91.1-5.6-178.900000113.1D30 Y46D30-A32 PolarHBondContact O-N 3.39Å; D30-A32 WeakPolarHBondContact OD1-CA 3.41Å; D30-A32 PolarHBondContact OD1-N 2.78Å; A32-Y46 WeakPolarHBondContact CB-OH 3.34Å; A32-Y46 PolarHBondContact O-OH 3.27Å
33F97.8Very high97.7Very high7 Ų761 Ų613%0.03132%0.317CS..SBendtrans-51.5141.5-178.9-167.8-94.1000112.3F6 Y7 I27 D30 K35 L43 Y46 I47 F53F6-F33 HydrophobicContact CD1-CE1 4.14Å; F6-F33 AromaticContact CD1-CZ 3.87Å; F6-F33 HydrophobicContact CD1-CZ 3.87Å; F6-F33 HydrophobicContact CE1-CZ 4.06Å; Y7-F33 AromaticContact CD2-CD1 3.73Å; Y7-F33 HydrophobicContact CD2-CD1 3.73Å; Y7-F33 HydrophobicContact CD2-CE1 4.28Å; Y7-F33 HydrophobicContact CG-CD1 4.41Å; I27-F33 HydrophobicContact CD1-CE2 4.26Å; I27-F33 HydrophobicContact CD1-CZ 4.27Å; I27-F33 HydrophobicContact CG1-CD2 4.28Å; I27-F33 HydrophobicContact CG1-CE2 3.93Å; I27-F33 HydrophobicContact CG1-CZ 4.34Å; I27-F33 HydrophobicContact CG2-CD1 3.8Å; I27-F33 HydrophobicContact CG2-CD2 3.93Å; I27-F33 HydrophobicContact CG2-CE1 3.87Å; I27-F33 HydrophobicContact CG2-CE2 4Å; I27-F33 HydrophobicContact CG2-CG 3.83Å; I27-F33 HydrophobicContact CG2-CZ 3.96Å; D30-F33 HydrophobicContact CB-CB 4.2Å; D30-F33 WeakPolarHBondContact O-CB 3.13Å; D30-F33 PolarHBondContact O-N 3.07Å; D30-F33 PolarHBondContact OD1-N 3.43Å; F33-K35 VanDerWaalsContact C-N 3.35Å; F33-K35 VanDerWaalsContact O-CG 3.31Å; F33-K35 WeakPolarHBondContact O-CG 3.07Å; F33-K35 PolarHBondContact O-N 3.37Å; F33-L43 HydrophobicContact CE1-CD2 3.95Å; F33-L43 HydrophobicContact CZ-CD2 3.79Å; F33-Y46 HydrophobicContact CB-CE1 4.46Å; F33-Y46 AromaticContact CD2-CD1 3.88Å; F33-Y46 HydrophobicContact CD2-CD1 3.88Å; F33-Y46 AromaticContact CD2-CE1 3.6Å; F33-Y46 HydrophobicContact CD2-CE1 3.6Å; F33-Y46 HydrophobicContact CE2-CD1 4.07Å; F33-Y46 HydrophobicContact CE2-CE1 4.25Å; F33-Y46 HydrophobicContact CG-CE1 4.39Å; F33-Y46 PolarHBondContact N-OH 2.7Å; F33-I47 HydrophobicContact CE2-CG1 4.41Å; F33-F53 HydrophobicContact CD2-CZ 4.05Å; F33-F53 HydrophobicContact CE2-CZ 4.19Å
34P97.6Very high97.7Very high21 Ų2161.6 Ų61.614%0.13632%0.322CS..  trans-68.782.4178.6-16.530.8000112.6H36 D37 L43 Y46P34-H36 PolarHBondContact O-N 3.21Å; P34-H36 VanDerWaalsContact O-N 3.13Å; P34-D37 HydrophobicContact CB-CB 4Å; P34-D37 WeakPolarHBondContact CB-OD2 3.36Å; P34-D37 PolarHBondContact O-N 3.23Å; P34-L43 HydrophobicContact CB-CD2 4.29Å; P34-L43 HydrophobicContact CG-CD2 4.5Å; P34-Y46 HydrophobicContact CG-CD1 4.24Å; P34-Y46 HydrophobicContact CG-CD2 3.53Å; P34-Y46 HydrophobicContact CG-CE2 4.04Å; P34-Y46 HydrophobicContact CG-CG 3.64Å
35K98Very high97.6Very high63 Ų6365.8 Ų65.827%0.27434%0.344SS..THydrogen-bonded Turntrans-68.7-13.6-170.3-60.2-174.7-179.8175.10115.2S5 Y7 F33S5-K35 VanDerWaalsContact CB-O 3.27Å; S5-K35 WeakPolarHBondContact CB-O 3.48Å; S5-K35 PolarHBondContact OG-O 2.65Å; Y7-K35 HydrophobicContact CD1-CB 4.02Å; Y7-K35 HydrophobicContact CD1-CD 4.31Å; Y7-K35 HydrophobicContact CD1-CG 4.03Å; Y7-K35 HydrophobicContact CD2-CB 4.47Å; Y7-K35 HydrophobicContact CD2-CD 4.4Å; Y7-K35 HydrophobicContact CD2-CG 3.85Å; Y7-K35 HydrophobicContact CE1-CD 3.96Å; Y7-K35 HydrophobicContact CE1-CG 4.18Å; Y7-K35 HydrophobicContact CE2-CD 4.04Å; Y7-K35 HydrophobicContact CE2-CG 3.98Å; Y7-K35 HydrophobicContact CG-CB 4Å; Y7-K35 HydrophobicContact CG-CG 3.86Å; F33-K35 VanDerWaalsContact C-N 3.35Å; F33-K35 VanDerWaalsContact O-CG 3.31Å; F33-K35 WeakPolarHBondContact O-CG 3.07Å; F33-K35 PolarHBondContact O-N 3.37Å
36H97.6Very high97.6Very high173 Ų17364.1 Ų64.180%0.80134%0.335SS*.THydrogen-bonded Turntrans-111-4.6-176.2-62.6-53.1000113.3P34P34-H36 PolarHBondContact O-N 3.21Å; P34-H36 VanDerWaalsContact O-N 3.13Å
37D97.1Very high97.6Very high55 Ų5562.9 Ų62.929%0.29433%0.33SS..  trans-88.8146-178.6-66.9-82.4000111.5S5 F6 P34 I42 L43S5-D37 WeakPolarHBondContact CB-O 3.24Å; F6-D37 PolarHBondContact N-O 3.34Å; P34-D37 HydrophobicContact CB-CB 4Å; P34-D37 WeakPolarHBondContact CB-OD2 3.36Å; P34-D37 PolarHBondContact O-N 3.23Å; D37-I42 HydrophobicContact CB-CG2 4.2Å; D37-L43 HydrophobicContact CB-CD2 4.17Å; D37-L43 HydrophobicContact CB-CG 4.46Å
38D96.8Very high97.4Very high78 Ų7869.2 Ų69.242%0.41736%0.359SS..  trans-127.3-1.9173.461.3-5.3000112.6Y64 Y67D38-Y64 PolarHBondContact O-OH 3.15Å; D38-Y67 HydrophobicContact CB-CE1 4.36Å; D38-Y67 WeakPolarHBondContact CB-OH 3.42Å
39D97.9Very high97.3Very high68 Ų6869.6 Ų69.636%0.36437%0.368SS..  trans-78.2126.4179.5-176.8-88.7000111.4N41 I42 L43D39-N41 VanDerWaalsContact C-N 3.32Å; D39-N41 PolarHBondContact O-N 3.17Å; D39-N41 WeakPolarHBondContact OD1-CA 3.23Å; D39-N41 WeakPolarHBondContact OD1-CB 3.41Å; D39-N41 PolarHBondContact OD1-N 2.93Å; D39-I42 HydrophobicContact CB-CB 4.19Å; D39-I42 HydrophobicContact CB-CD1 3.95Å; D39-I42 HydrophobicContact CB-CG1 4.04Å; D39-I42 PolarHBondContact O-N 3.11Å; D39-I42 PolarHBondContact OD1-N 2.84Å; D39-L43 WeakPolarHBondContact O-CG 3.4Å; D39-L43 PolarHBondContact O-N 3.4Å
40F98.3Very high96.9Very high71 Ų7170.3 Ų70.331%0.31137%0.367SS..Hα-helixtrans-54.5-45.2-180179.6-100.6000112.7L43 S44 F60 Y64F40-L43 PolarHBondContact O-N 3.29Å; F40-S44 WeakPolarHBondContact O-CB 3.4Å; F40-S44 PolarHBondContact O-N 2.98Å; F40-F60 HydrophobicContact CD2-CE1 4.05Å; F40-F60 HydrophobicContact CD2-CZ 4.21Å; F40-F60 HydrophobicContact CE2-CD1 4.4Å; F40-F60 AromaticContact CE2-CE1 3.58Å; F40-F60 HydrophobicContact CE2-CE1 3.58Å; F40-F60 HydrophobicContact CE2-CZ 4.19Å; F40-F60 HydrophobicContact CZ-CE1 4.2Å; F40-Y64 HydrophobicContact CB-CD1 4.49Å; F40-Y64 HydrophobicContact CB-CE1 3.78Å; F40-Y64 HydrophobicContact CB-CE2 4.11Å; F40-Y64 AromaticContact CD2-CD1 3.51Å; F40-Y64 HydrophobicContact CD2-CD1 3.51Å; F40-Y64 HydrophobicContact CD2-CD2 4.07Å; F40-Y64 AromaticContact CD2-CE1 3.68Å; F40-Y64 HydrophobicContact CD2-CE1 3.68Å; F40-Y64 HydrophobicContact CD2-CE2 4.22Å; F40-Y64 AromaticContact CD2-CG 3.71Å; F40-Y64 HydrophobicContact CD2-CG 3.71Å; F40-Y64 HydrophobicContact CE2-CD1 4.23Å; F40-Y64 HydrophobicContact CE2-CG 4.31Å; F40-Y64 HydrophobicContact CG-CD1 4.42Å; F40-Y64 HydrophobicContact CG-CE1 4.15Å; F40-Y64 PolarHBondContact N-OH 3.15Å; F40-Y64 VanDerWaalsContact N-OH 3.13Å
41N98.1Very high95.9Very high112 Ų11270 Ų7060%0.59937%0.371SS*.Hα-helixtrans-71.7-38.1-173.7-55.6-68.3000111D39 D45D39-N41 VanDerWaalsContact C-N 3.32Å; D39-N41 PolarHBondContact O-N 3.17Å; D39-N41 WeakPolarHBondContact OD1-CA 3.23Å; D39-N41 WeakPolarHBondContact OD1-CB 3.41Å; D39-N41 PolarHBondContact OD1-N 2.93Å; N41-D45 VanDerWaalsContact O-CB 3.24Å; N41-D45 WeakPolarHBondContact O-CB 3.39Å; N41-D45 PolarHBondContact O-N 3.37Å
42I97.9Very high95.6Very high79 Ų7970.4 Ų70.441%0.40537%0.374SS..Hα-helixtrans-62.4-47.8175.3-65.2179.1000110.6D37 D39 Y46D37-I42 HydrophobicContact CB-CG2 4.2Å; D39-I42 HydrophobicContact CB-CB 4.19Å; D39-I42 HydrophobicContact CB-CD1 3.95Å; D39-I42 HydrophobicContact CB-CG1 4.04Å; D39-I42 PolarHBondContact O-N 3.11Å; D39-I42 PolarHBondContact OD1-N 2.84Å; I42-Y46 WeakPolarHBondContact O-CB 3.21Å; I42-Y46 PolarHBondContact O-N 3.18Å
43L98.4Very high95.6Very high0 Ų068.4 Ų68.40%035%0.352CS..Hα-helixtrans-69-40-179.1-65.8167000111.7F6 F33 P34 D37 D39 F40 Y46 I47 F60 Y64F6-L43 HydrophobicContact CB-CD1 3.42Å; F6-L43 VanDerWaalsContact CB-CD1 3.42Å; F6-L43 HydrophobicContact CD1-CD1 3.94Å; F6-L43 HydrophobicContact CD1-CD2 4.32Å; F6-L43 HydrophobicContact CG-CD1 3.76Å; F33-L43 HydrophobicContact CE1-CD2 3.95Å; F33-L43 HydrophobicContact CZ-CD2 3.79Å; P34-L43 HydrophobicContact CB-CD2 4.29Å; P34-L43 HydrophobicContact CG-CD2 4.5Å; D37-L43 HydrophobicContact CB-CD2 4.17Å; D37-L43 HydrophobicContact CB-CG 4.46Å; D39-L43 WeakPolarHBondContact O-CG 3.4Å; D39-L43 PolarHBondContact O-N 3.4Å; F40-L43 PolarHBondContact O-N 3.29Å; L43-Y46 PolarHBondContact O-N 3Å; L43-I47 WeakPolarHBondContact O-CG1 3.49Å; L43-I47 PolarHBondContact O-N 3.32Å; L43-F60 HydrophobicContact CB-CE2 4.06Å; L43-F60 HydrophobicContact CB-CZ 3.82Å; L43-Y64 HydrophobicContact CD1-CD2 4.25Å; L43-Y64 HydrophobicContact CD1-CE2 3.88Å
44S97.8Very high95.5Very high17 Ų1773.3 Ų73.312%0.11938%0.382CS..Hα-helixtrans-62-49.8176.6-174.80000111.4F40 Y46 I47 E48 M57F40-S44 WeakPolarHBondContact O-CB 3.4Å; F40-S44 PolarHBondContact O-N 2.98Å; S44-Y46 VanDerWaalsContact C-N 3.32Å; S44-Y46 PolarHBondContact O-N 2.61Å; S44-I47 PolarHBondContact O-N 3.36Å; S44-E48 WeakPolarHBondContact O-CG 3.44Å; S44-E48 PolarHBondContact O-N 3.47Å; S44-M57 WeakPolarHBondContact OG-CE 3.46Å
45D97.6Very high95.5Very high88 Ų8873.4 Ų73.447%0.47138%0.381SS..Hα-helixtrans-60.1-42.5177.5-177.568.6000111.2N41 I47 E48 T49N41-D45 VanDerWaalsContact O-CB 3.24Å; N41-D45 WeakPolarHBondContact O-CB 3.39Å; N41-D45 PolarHBondContact O-N 3.37Å; D45-I47 PolarHBondContact O-N 3.46Å; D45-E48 PolarHBondContact O-N 2.99Å; D45-T49 WeakPolarHBondContact O-CB 3.39Å; D45-T49 PolarHBondContact O-N 3.47Å; D45-T49 PolarHBondContact O-OG1 2.9Å
46Y98Very high95.4Very high27 Ų2774.2 Ų74.211%0.10639%0.393CS..Hα-helixtrans-58.5-48.4176.5-178.2-87000112.2D30 A32 F33 P34 I42 L43 S44 E48 T49 H50 G51 F53D30-Y46 PolarHBondContact OD1-OH 3.03Å; D30-Y46 VanDerWaalsContact OD1-OH 3.13Å; D30-Y46 WeakPolarHBondContact OD2-CE1 3.46Å; D30-Y46 VanDerWaalsContact OD2-CZ 3.29Å; D30-Y46 PolarHBondContact OD2-OH 3.43Å; A32-Y46 WeakPolarHBondContact CB-OH 3.34Å; A32-Y46 PolarHBondContact O-OH 3.27Å; F33-Y46 HydrophobicContact CB-CE1 4.46Å; F33-Y46 AromaticContact CD2-CD1 3.88Å; F33-Y46 HydrophobicContact CD2-CD1 3.88Å; F33-Y46 AromaticContact CD2-CE1 3.6Å; F33-Y46 HydrophobicContact CD2-CE1 3.6Å; F33-Y46 HydrophobicContact CE2-CD1 4.07Å; F33-Y46 HydrophobicContact CE2-CE1 4.25Å; F33-Y46 HydrophobicContact CG-CE1 4.39Å; F33-Y46 PolarHBondContact N-OH 2.7Å; P34-Y46 HydrophobicContact CG-CD1 4.24Å; P34-Y46 HydrophobicContact CG-CD2 3.53Å; P34-Y46 HydrophobicContact CG-CE2 4.04Å; P34-Y46 HydrophobicContact CG-CG 3.64Å; I42-Y46 WeakPolarHBondContact O-CB 3.21Å; I42-Y46 PolarHBondContact O-N 3.18Å; L43-Y46 PolarHBondContact O-N 3Å; S44-Y46 VanDerWaalsContact C-N 3.32Å; S44-Y46 PolarHBondContact O-N 2.61Å; Y46-E48 VanDerWaalsContact C-N 3.34Å; Y46-E48 PolarHBondContact O-N 3.04Å; Y46-T49 PolarHBondContact O-N 3.28Å; Y46-H50 HydrophobicContact CD2-CB 3.99Å; Y46-H50 HydrophobicContact CE2-CB 3.88Å; Y46-H50 HydrophobicContact CG-CB 4.45Å; Y46-H50 WeakPolarHBondContact O-CB 3.48Å; Y46-H50 PolarHBondContact O-N 3.26Å; Y46-G51 PolarHBondContact O-N 3.17Å; Y46-F53 HydrophobicContact CD1-CE2 4.33Å; Y46-F53 HydrophobicContact CE1-CE2 4.15Å; Y46-F53 HydrophobicContact CE1-CZ 4.4Å
47I96.8Very high95.4Very high17 Ų1768.3 Ų68.39%0.08737%0.366CS..Hα-helixtrans-63.9-40.6-179.2-71171000111.2F33 L43 S44 D45 F53 M57 F60F33-I47 HydrophobicContact CE2-CG1 4.41Å; L43-I47 WeakPolarHBondContact O-CG1 3.49Å; L43-I47 PolarHBondContact O-N 3.32Å; S44-I47 PolarHBondContact O-N 3.36Å; D45-I47 PolarHBondContact O-N 3.46Å; I47-F53 HydrophobicContact CB-CD2 4.05Å; I47-F53 HydrophobicContact CB-CE2 4.13Å; I47-F53 HydrophobicContact CG1-CD2 4Å; I47-F53 HydrophobicContact CG1-CE2 3.66Å; I47-F53 HydrophobicContact CG1-CZ 4.24Å; I47-F53 HydrophobicContact CG2-CD2 3.7Å; I47-F53 HydrophobicContact CG2-CE2 4.27Å; I47-F53 HydrophobicContact CG2-CG 4.25Å; I47-M57 HydrophobicContact CB-CE 4.28Å; I47-M57 HydrophobicContact CB-SD 4.29Å; I47-M57 HydrophobicContact CG2-CE 4.19Å; I47-M57 HydrophobicContact CG2-SD 3.56Å; I47-M57 VanDerWaalsContact CG2-SD 3.56Å; I47-F60 HydrophobicContact CD1-CB 4Å; I47-F60 HydrophobicContact CD1-CD1 4.16Å; I47-F60 HydrophobicContact CD1-CD2 3.1Å; I47-F60 HydrophobicContact CD1-CE1 4.43Å; I47-F60 HydrophobicContact CD1-CE2 3.47Å; I47-F60 VanDerWaalsContact CD1-CE2 3.47Å; I47-F60 HydrophobicContact CD1-CG 3.47Å; I47-F60 VanDerWaalsContact CD1-CG 3.47Å; I47-F60 HydrophobicContact CD1-CZ 4.12Å
48E94.9Very high95.5Very high133 Ų13368.7 Ų68.762%0.62137%0.373SS*.Hα-helixtrans-72.2-29.8-179.1-72.3-177.117400113.9S44 D45 Y46 M57S44-E48 WeakPolarHBondContact O-CG 3.44Å; S44-E48 PolarHBondContact O-N 3.47Å; D45-E48 PolarHBondContact O-N 2.99Å; Y46-E48 VanDerWaalsContact C-N 3.34Å; Y46-E48 PolarHBondContact O-N 3.04Å; E48-M57 HydrophobicContact CG-CE 4.07Å; E48-M57 HydrophobicContact CG-SD 4.26Å
49T94.9Very high95.6Very high82 Ų8265.5 Ų65.550%0.50336%0.357SS..Hα-helixtrans-117.1-24.4-166.860.80000115.4D45 Y46D45-T49 WeakPolarHBondContact O-CB 3.39Å; D45-T49 PolarHBondContact O-N 3.47Å; D45-T49 PolarHBondContact O-OG1 2.9Å; Y46-T49 PolarHBondContact O-N 3.28Å
50H89.3Confident95.6Very high132 Ų13262.4 Ų62.461%0.61134%0.34SS*.THydrogen-bonded Turntrans-121.1-23.5-172.5-64.185.2000114Y46Y46-H50 HydrophobicContact CD2-CB 3.99Å; Y46-H50 HydrophobicContact CE2-CB 3.88Å; Y46-H50 HydrophobicContact CG-CB 4.45Å; Y46-H50 WeakPolarHBondContact O-CB 3.48Å; Y46-H50 PolarHBondContact O-N 3.26Å
51G77.4Confident95.6Very high24 Ų2462.2 Ų62.225%0.24734%0.342CS..  trans-84.7150.5-178.100000114.2Y46 F53Y46-G51 PolarHBondContact O-N 3.17Å; G51-F53 VanDerWaalsContact C-N 3.26Å; G51-F53 PolarHBondContact O-N 2.87Å
52D89.9Confident95.6Very high157 Ų15760.6 Ų60.684%0.8433%0.334SS*.  trans-9750.8165.2-165.117.4000109.5
53F95.6Very high95.7Very high33 Ų3356.9 Ų56.915%0.14531%0.314CS..  trans-77.2131-178.9-64.7-73000110L23 E26 I27 F33 Y46 I47 G51L23-F53 HydrophobicContact CD1-CD1 3.74Å; L23-F53 HydrophobicContact CD1-CE1 4.23Å; L23-F53 HydrophobicContact CD1-CG 4.46Å; E26-F53 HydrophobicContact CB-CD1 3.78Å; E26-F53 HydrophobicContact CB-CE1 3.99Å; E26-F53 VanDerWaalsContact OE2-CA 3.31Å; E26-F53 WeakPolarHBondContact OE2-CA 3.37Å; E26-F53 WeakPolarHBondContact OE2-CD1 3.43Å; I27-F53 HydrophobicContact CB-CE1 4.48Å; I27-F53 HydrophobicContact CG1-CE1 3.6Å; I27-F53 HydrophobicContact CG1-CZ 4.05Å; F33-F53 HydrophobicContact CD2-CZ 4.05Å; F33-F53 HydrophobicContact CE2-CZ 4.19Å; Y46-F53 HydrophobicContact CD1-CE2 4.33Å; Y46-F53 HydrophobicContact CE1-CE2 4.15Å; Y46-F53 HydrophobicContact CE1-CZ 4.4Å; I47-F53 HydrophobicContact CB-CD2 4.05Å; I47-F53 HydrophobicContact CB-CE2 4.13Å; I47-F53 HydrophobicContact CG1-CD2 4Å; I47-F53 HydrophobicContact CG1-CE2 3.66Å; I47-F53 HydrophobicContact CG1-CZ 4.24Å; I47-F53 HydrophobicContact CG2-CD2 3.7Å; I47-F53 HydrophobicContact CG2-CE2 4.27Å; I47-F53 HydrophobicContact CG2-CG 4.25Å; G51-F53 VanDerWaalsContact C-N 3.26Å; G51-F53 PolarHBondContact O-N 2.87Å
54T95.7Very high95.7Very high109 Ų10958.6 Ų58.667%0.66932%0.321SS*.  trans-93.4-14.2-175.174.90000113.1E26E26-T54 WeakPolarHBondContact OE1-CB 3.31Å; E26-T54 PolarHBondContact OE1-N 3.47Å; E26-T54 PolarHBondContact OE1-OG1 3.06Å; E26-T54 PolarHBondContact OE2-N 2.95Å
55L97.3Very high95.7Very high24 Ų2463.6 Ų63.613%0.12634%0.343CS..SBendtrans-91152.5-176-65.5169.8000112.1D19 R22 L23 V59D19-L55 VanDerWaalsContact O-CD1 3.25Å; D19-L55 WeakPolarHBondContact O-CD1 3.49Å; R22-L55 HydrophobicContact CB-CD1 3.84Å; L23-L55 HydrophobicContact CB-CD1 3.69Å; L23-L55 VanDerWaalsContact N-CD1 3.35Å; L55-V59 HydrophobicContact CB-CB 4.44Å; L55-V59 HydrophobicContact CB-CG2 4.32Å; L55-V59 HydrophobicContact CD1-CG1 4.39Å
56P97.2Very high95.8Very high79 Ų7962.2 Ų62.251%0.51333%0.334SS..  trans-60.9147.9176-21.232.4000112.5S58 V59P56-S58 PolarHBondContact O-N 3.34Å; P56-S58 VanDerWaalsContact O-N 3.08Å; P56-V59 WeakPolarHBondContact O-CB 3.49Å; P56-V59 PolarHBondContact O-N 3.29Å
57M97.3Very high95.8Very high49 Ų4961 Ų6124%0.24133%0.329CS..Hα-helixtrans-56.5-29178.8-164.557.2178.500113.5S44 I47 E48 V59 F60 D61S44-M57 WeakPolarHBondContact OG-CE 3.46Å; I47-M57 HydrophobicContact CB-CE 4.28Å; I47-M57 HydrophobicContact CB-SD 4.29Å; I47-M57 HydrophobicContact CG2-CE 4.19Å; I47-M57 HydrophobicContact CG2-SD 3.56Å; I47-M57 VanDerWaalsContact CG2-SD 3.56Å; E48-M57 HydrophobicContact CG-CE 4.07Å; E48-M57 HydrophobicContact CG-SD 4.26Å; M57-V59 PolarHBondContact O-N 2.75Å; M57-F60 HydrophobicContact CE-CD1 3.26Å; M57-F60 HydrophobicContact CE-CE1 3.64Å; M57-F60 HydrophobicContact CE-CG 4.12Å; M57-F60 WeakPolarHBondContact O-CA 3.16Å; M57-F60 WeakPolarHBondContact O-CB 3.47Å; M57-F60 PolarHBondContact O-N 3.01Å; M57-F60 HydrophobicContact SD-CB 4.14Å; M57-F60 HydrophobicContact SD-CD1 3.93Å; M57-F60 HydrophobicContact SD-CG 4.34Å; M57-D61 PolarHBondContact O-N 3.13Å
58S98.2Very high95.8Very high64 Ų6462.3 Ų62.345%0.44834%0.338SS..Hα-helixtrans-60-27.4174.761.30000113.7P56 F60 D61 D62P56-S58 PolarHBondContact O-N 3.34Å; P56-S58 VanDerWaalsContact O-N 3.08Å; S58-F60 VanDerWaalsContact C-N 3.35Å; S58-D61 PolarHBondContact O-N 2.86Å; S58-D62 WeakPolarHBondContact O-CB 3.34Å; S58-D62 PolarHBondContact O-N 3.1Å
59V98.6Very high95.9Very high11 Ų1159.7 Ų59.77%0.06733%0.325CS..Hα-helixtrans-69.2-37.2175.3-177.40000110.5D19 K20 L23 L55 P56 M57 L63D19-V59 HydrophobicContact CB-CG1 3.88Å; D19-V59 HydrophobicContact CB-CG2 4.05Å; K20-V59 HydrophobicContact CG-CG1 4.23Å; L23-V59 HydrophobicContact CB-CG1 4.17Å; L23-V59 HydrophobicContact CD2-CB 4.41Å; L23-V59 HydrophobicContact CD2-CG1 3.96Å; L55-V59 HydrophobicContact CB-CB 4.44Å; L55-V59 HydrophobicContact CB-CG2 4.32Å; L55-V59 HydrophobicContact CD1-CG1 4.39Å; P56-V59 WeakPolarHBondContact O-CB 3.49Å; P56-V59 PolarHBondContact O-N 3.29Å; M57-V59 PolarHBondContact O-N 2.75Å; V59-L63 VanDerWaalsContact O-CB 3.23Å; V59-L63 WeakPolarHBondContact O-CB 3.38Å; V59-L63 PolarHBondContact O-N 3.02Å; V59-L63 VanDerWaalsContact O-N 3.07Å
60F98.5Very high96Very high2 Ų258.9 Ų58.91%0.00931%0.313CS..Hα-helixtrans-66.6-47.4171.9163-101.6000111F6 L23 F40 L43 I47 M57 S58 D62 L63 Y64F6-F60 HydrophobicContact CE1-CD2 4.13Å; F6-F60 AromaticContact CE1-CE2 3.88Å; F6-F60 HydrophobicContact CE1-CE2 3.88Å; F6-F60 HydrophobicContact CE2-CE2 4.46Å; F6-F60 AromaticContact CZ-CD2 3.89Å; F6-F60 HydrophobicContact CZ-CD2 3.89Å; F6-F60 AromaticContact CZ-CE2 3.83Å; F6-F60 HydrophobicContact CZ-CE2 3.83Å; L23-F60 HydrophobicContact CD2-CB 3.97Å; F40-F60 HydrophobicContact CD2-CE1 4.05Å; F40-F60 HydrophobicContact CD2-CZ 4.21Å; F40-F60 HydrophobicContact CE2-CD1 4.4Å; F40-F60 AromaticContact CE2-CE1 3.58Å; F40-F60 HydrophobicContact CE2-CE1 3.58Å; F40-F60 HydrophobicContact CE2-CZ 4.19Å; F40-F60 HydrophobicContact CZ-CE1 4.2Å; L43-F60 HydrophobicContact CB-CE2 4.06Å; L43-F60 HydrophobicContact CB-CZ 3.82Å; I47-F60 HydrophobicContact CD1-CB 4Å; I47-F60 HydrophobicContact CD1-CD1 4.16Å; I47-F60 HydrophobicContact CD1-CD2 3.1Å; I47-F60 HydrophobicContact CD1-CE1 4.43Å; I47-F60 HydrophobicContact CD1-CE2 3.47Å; I47-F60 VanDerWaalsContact CD1-CE2 3.47Å; I47-F60 HydrophobicContact CD1-CG 3.47Å; I47-F60 VanDerWaalsContact CD1-CG 3.47Å; I47-F60 HydrophobicContact CD1-CZ 4.12Å; M57-F60 HydrophobicContact CE-CD1 3.26Å; M57-F60 HydrophobicContact CE-CE1 3.64Å; M57-F60 HydrophobicContact CE-CG 4.12Å; M57-F60 WeakPolarHBondContact O-CA 3.16Å; M57-F60 WeakPolarHBondContact O-CB 3.47Å; M57-F60 PolarHBondContact O-N 3.01Å; M57-F60 HydrophobicContact SD-CB 4.14Å; M57-F60 HydrophobicContact SD-CD1 3.93Å; M57-F60 HydrophobicContact SD-CG 4.34Å; S58-F60 VanDerWaalsContact C-N 3.35Å; F60-D62 VanDerWaalsContact C-N 3.32Å; F60-D62 PolarHBondContact O-N 3.43Å; F60-L63 CarbonylContact O-C 3.58Å; F60-L63 PolarHBondContact O-N 2.6Å; F60-Y64 HydrophobicContact CE2-CD2 4.22Å; F60-Y64 HydrophobicContact CZ-CD2 4.06Å; F60-Y64 HydrophobicContact CZ-CG 4.42Å; F60-Y64 WeakPolarHBondContact O-CB 3.48Å; F60-Y64 PolarHBondContact O-N 3.34Å
61D98.5Very high96.3Very high67 Ų6754.2 Ų54.236%0.35829%0.292SS..Hα-helixtrans-55.4-49179-64.5-29.2000111.1M57 S58 L63 Y64 E65M57-D61 PolarHBondContact O-N 3.13Å; S58-D61 PolarHBondContact O-N 2.86Å; D61-L63 VanDerWaalsContact C-N 3.29Å; D61-L63 PolarHBondContact O-N 3.42Å; D61-Y64 PolarHBondContact O-N 3.11Å; D61-E65 PolarHBondContact O-N 3.38Å
62D98.7Very high97.1Very high79 Ų7959.1 Ų59.142%0.42231%0.307SS..Hα-helixtrans-63.8-33.3177.8-71.4-11.5000112.5K20 S58 F60 E66K20-D62 PolarHBondContact NZ-O 2.91Å; S58-D62 WeakPolarHBondContact O-CB 3.34Å; S58-D62 PolarHBondContact O-N 3.1Å; F60-D62 VanDerWaalsContact C-N 3.32Å; F60-D62 PolarHBondContact O-N 3.43Å; D62-E66 PolarHBondContact O-N 3.29Å
63L98.7Very high96.8Very high0 Ų060.6 Ų60.60%031%0.306CS..Hα-helixtrans-76.3-36.3178.8-175.658.1000111.6F6 F9 V10 V13 K20 L23 V59 F60 D61 E66 Y67F6-L63 HydrophobicContact CE2-CG 4.15Å; F6-L63 HydrophobicContact CZ-CD2 4.02Å; F6-L63 HydrophobicContact CZ-CG 4.03Å; F9-L63 HydrophobicContact CE1-CD1 3.71Å; F9-L63 HydrophobicContact CE1-CG 4.26Å; F9-L63 HydrophobicContact CZ-CD1 4.32Å; V10-L63 HydrophobicContact CG2-CD2 4.18Å; V13-L63 HydrophobicContact CB-CD1 4.46Å; V13-L63 HydrophobicContact CG1-CD1 3.8Å; V13-L63 HydrophobicContact CG2-CD1 4.03Å; K20-L63 HydrophobicContact CB-CD1 4.11Å; K20-L63 HydrophobicContact CD-CD1 4.31Å; K20-L63 HydrophobicContact CG-CB 4.33Å; K20-L63 HydrophobicContact CG-CD1 4.2Å; L23-L63 HydrophobicContact CD2-CD2 3.88Å; L23-L63 HydrophobicContact CG-CD2 4.29Å; V59-L63 VanDerWaalsContact O-CB 3.23Å; V59-L63 WeakPolarHBondContact O-CB 3.38Å; V59-L63 PolarHBondContact O-N 3.02Å; V59-L63 VanDerWaalsContact O-N 3.07Å; F60-L63 CarbonylContact O-C 3.58Å; F60-L63 PolarHBondContact O-N 2.6Å; D61-L63 VanDerWaalsContact C-N 3.29Å; D61-L63 PolarHBondContact O-N 3.42Å; L63-E66 PolarHBondContact O-N 3.24Å; L63-Y67 PolarHBondContact O-N 3.13Å
64Y98.7Very high96.9Very high36 Ų3662 Ų6214%0.14131%0.314CS..Hα-helixtrans-68.3-37.5174.7-170.8-84.7000111F6 D38 F40 L43 F60 D61 Y67 T68F6-Y64 AromaticContact CD2-CD2 3.9Å; F6-Y64 HydrophobicContact CD2-CD2 3.9Å; F6-Y64 HydrophobicContact CE2-CD2 4.11Å; F6-Y64 HydrophobicContact CG-CD2 4.49Å; D38-Y64 PolarHBondContact O-OH 3.15Å; F40-Y64 HydrophobicContact CB-CD1 4.49Å; F40-Y64 HydrophobicContact CB-CE1 3.78Å; F40-Y64 HydrophobicContact CB-CE2 4.11Å; F40-Y64 AromaticContact CD2-CD1 3.51Å; F40-Y64 HydrophobicContact CD2-CD1 3.51Å; F40-Y64 HydrophobicContact CD2-CD2 4.07Å; F40-Y64 AromaticContact CD2-CE1 3.68Å; F40-Y64 HydrophobicContact CD2-CE1 3.68Å; F40-Y64 HydrophobicContact CD2-CE2 4.22Å; F40-Y64 AromaticContact CD2-CG 3.71Å; F40-Y64 HydrophobicContact CD2-CG 3.71Å; F40-Y64 HydrophobicContact CE2-CD1 4.23Å; F40-Y64 HydrophobicContact CE2-CG 4.31Å; F40-Y64 HydrophobicContact CG-CD1 4.42Å; F40-Y64 HydrophobicContact CG-CE1 4.15Å; F40-Y64 PolarHBondContact N-OH 3.15Å; F40-Y64 VanDerWaalsContact N-OH 3.13Å; L43-Y64 HydrophobicContact CD1-CD2 4.25Å; L43-Y64 HydrophobicContact CD1-CE2 3.88Å; F60-Y64 HydrophobicContact CE2-CD2 4.22Å; F60-Y64 HydrophobicContact CZ-CD2 4.06Å; F60-Y64 HydrophobicContact CZ-CG 4.42Å; F60-Y64 WeakPolarHBondContact O-CB 3.48Å; F60-Y64 PolarHBondContact O-N 3.34Å; D61-Y64 PolarHBondContact O-N 3.11Å; Y64-Y67 HydrophobicContact CD2-CD1 4.12Å; Y64-Y67 AromaticContact CE2-CD1 3.98Å; Y64-Y67 HydrophobicContact CE2-CD1 3.98Å; Y64-Y67 HydrophobicContact CE2-CE1 4.15Å; Y64-Y67 WeakPolarHBondContact O-CB 3.34Å; Y64-Y67 PolarHBondContact O-N 2.93Å; Y64-T68 HydrophobicContact CD1-CG2 3.75Å; Y64-T68 HydrophobicContact CE1-CG2 3.45Å; Y64-T68 VanDerWaalsContact CE1-CG2 3.45Å; Y64-T68 WeakPolarHBondContact O-CG2 3.22Å; Y64-T68 PolarHBondContact O-N 3.41Å
65E98.5Very high96.9Very high123 Ų12359.5 Ų59.558%0.57530%0.295SS*.Hα-helixtrans-59.8-48.1171-171.8176.1-167.900111.2D61 Y67 T68 E69D61-E65 PolarHBondContact O-N 3.38Å; E65-Y67 VanDerWaalsContact C-N 3.27Å; E65-Y67 PolarHBondContact O-N 2.75Å; E65-T68 PolarHBondContact O-N 3.16Å; E65-T68 VanDerWaalsContact O-N 3.09Å; E65-T68 PolarHBondContact O-OG1 3.08Å; E65-E69 PolarHBondContact O-N 2.91Å
66E98.5Very high96.9Very high59 Ų5961.4 Ų61.428%0.27631%0.305SS..Hα-helixtrans-57-40.2174.7-76.2-171.3-161.100112.3F9 R16 K20 D62 L63 E69 W70F9-E66 HydrophobicContact CE1-CB 4.44Å; F9-E66 HydrophobicContact CZ-CB 3.89Å; R16-E66 IonicContact CZ-OE1 3.01Å; R16-E66 IonicContact CZ-OE2 2.65Å; R16-E66 IonicContact NH1-OE1 3.3Å; R16-E66 IonicContact NH1-OE2 2.75Å; R16-E66 PolarHBondContact NH1-OE2 3.36Å; R16-E66 IonicContact NH2-OE1 3.34Å; R16-E66 PolarHBondContact NH2-OE1 3.25Å; R16-E66 IonicContact NH2-OE2 3.27Å; K20-E66 WeakPolarHBondContact CD-OE1 3.37Å; K20-E66 WeakPolarHBondContact CE-OE1 3.42Å; K20-E66 IonicContact NZ-OE1 2.75Å; K20-E66 PolarHBondContact NZ-OE1 3.22Å; D62-E66 PolarHBondContact O-N 3.29Å; L63-E66 PolarHBondContact O-N 3.24Å; E66-E69 PolarHBondContact O-N 3.47Å; E66-W70 VanDerWaalsContact O-CB 3.26Å; E66-W70 WeakPolarHBondContact O-CB 3.29Å; E66-W70 PolarHBondContact O-N 3.43Å
67Y98.4Very high96.9Very high2 Ų260.4 Ų60.41%0.00829%0.293CS..Hα-helixtrans-59.9-48.2174164.2-118.2000111.8Y4 F6 F9 D38 L63 Y64 E65 E69 W70 L71Y4-Y67 PolarHBondContact O-OH 3.02Å; F6-Y67 HydrophobicContact CB-CD1 4.42Å; F6-Y67 HydrophobicContact CB-CE1 4.23Å; F6-Y67 AromaticContact CD2-CD1 3.8Å; F6-Y67 HydrophobicContact CD2-CD1 3.8Å; F6-Y67 HydrophobicContact CD2-CD2 4.47Å; F6-Y67 HydrophobicContact CD2-CE1 4.43Å; F6-Y67 AromaticContact CD2-CG 3.81Å; F6-Y67 HydrophobicContact CD2-CG 3.81Å; F9-Y67 HydrophobicContact CB-CD2 3.46Å; F9-Y67 VanDerWaalsContact CB-CD2 3.46Å; F9-Y67 HydrophobicContact CB-CE2 4.04Å; F9-Y67 HydrophobicContact CB-CG 4.41Å; F9-Y67 AromaticContact CD1-CD2 3.98Å; F9-Y67 HydrophobicContact CD1-CD2 3.98Å; F9-Y67 HydrophobicContact CD1-CG 4.14Å; F9-Y67 HydrophobicContact CD2-CD2 4.39Å; F9-Y67 AromaticContact CG-CD2 3.69Å; F9-Y67 HydrophobicContact CG-CD2 3.69Å; F9-Y67 HydrophobicContact CG-CG 4.3Å; D38-Y67 HydrophobicContact CB-CE1 4.36Å; D38-Y67 WeakPolarHBondContact CB-OH 3.42Å; L63-Y67 PolarHBondContact O-N 3.13Å; Y64-Y67 HydrophobicContact CD2-CD1 4.12Å; Y64-Y67 AromaticContact CE2-CD1 3.98Å; Y64-Y67 HydrophobicContact CE2-CD1 3.98Å; Y64-Y67 HydrophobicContact CE2-CE1 4.15Å; Y64-Y67 WeakPolarHBondContact O-CB 3.34Å; Y64-Y67 PolarHBondContact O-N 2.93Å; E65-Y67 VanDerWaalsContact C-N 3.27Å; E65-Y67 PolarHBondContact O-N 2.75Å; Y67-E69 VanDerWaalsContact C-N 3.32Å; Y67-E69 PolarHBondContact O-N 3Å; Y67-W70 HydrophobicContact CD2-CE3 4.27Å; Y67-W70 WeakPolarHBondContact O-CB 3.48Å; Y67-W70 PolarHBondContact O-N 2.57Å; Y67-W70 VanDerWaalsContact O-N 3.14Å; Y67-L71 HydrophobicContact CD2-CD1 4.45Å; Y67-L71 HydrophobicContact CD2-CG 4.18Å; Y67-L71 HydrophobicContact CE1-CD1 3.97Å; Y67-L71 HydrophobicContact CE2-CD1 3.82Å; Y67-L71 HydrophobicContact CE2-CD2 3.83Å; Y67-L71 HydrophobicContact CE2-CG 3.76Å; Y67-L71 WeakPolarHBondContact O-CG 3.28Å; Y67-L71 PolarHBondContact O-N 3.32Å
68T97.5Very high96.9Very high44 Ų4461.1 Ų61.127%0.2730%0.296SS..Hα-helixtrans-63.8-37-179.570.50000112.5Y64 E65Y64-T68 HydrophobicContact CD1-CG2 3.75Å; Y64-T68 HydrophobicContact CE1-CG2 3.45Å; Y64-T68 VanDerWaalsContact CE1-CG2 3.45Å; Y64-T68 WeakPolarHBondContact O-CG2 3.22Å; Y64-T68 PolarHBondContact O-N 3.41Å; E65-T68 PolarHBondContact O-N 3.16Å; E65-T68 VanDerWaalsContact O-N 3.09Å; E65-T68 PolarHBondContact O-OG1 3.08Å
69E97Very high96.8Very high77 Ų7760.9 Ų60.936%0.3629%0.286SS..Hα-helixtrans-67.9-42.9172.6-71.2-55.8138.100111.1E65 E66 Y67 L71 K72 F73E65-E69 PolarHBondContact O-N 2.91Å; E66-E69 PolarHBondContact O-N 3.47Å; Y67-E69 VanDerWaalsContact C-N 3.32Å; Y67-E69 PolarHBondContact O-N 3Å; E69-L71 VanDerWaalsContact C-N 3.26Å; E69-L71 PolarHBondContact O-N 3.27Å; E69-K72 WeakPolarHBondContact O-CB 3.39Å; E69-K72 PolarHBondContact O-N 3.2Å; E69-K72 IonicContact OE1-NZ 2.62Å; E69-K72 PolarHBondContact OE1-NZ 3.47Å; E69-K72 IonicContact OE2-NZ 3.45Å; E69-K72 PolarHBondContact OE2-NZ 2.63Å; E69-F73 WeakPolarHBondContact O-CD2 3.31Å; E69-F73 WeakPolarHBondContact O-CE2 3.42Å
70W96.6Very high96.7Very high65 Ų6564.5 Ų64.525%0.24630%0.301CS..Hα-helixtrans-60.2-32.9178.5176.187.3000113.3K2 Y4 F9 E66 Y67 K72K2-W70 HydrophobicContact CD-CD2 4.02Å; K2-W70 HydrophobicContact CD-CE3 4.02Å; K2-W70 HydrophobicContact CD-CH2 3.74Å; K2-W70 HydrophobicContact CD-CZ2 3.71Å; K2-W70 HydrophobicContact CD-CZ3 3.89Å; K2-W70 PolarHBondContact NZ-O 2.86Å; Y4-W70 HydrophobicContact CD1-CH2 4.37Å; Y4-W70 AromaticContact CD2-CH2 3.46Å; Y4-W70 HydrophobicContact CD2-CH2 3.46Å; Y4-W70 VanDerWaalsContact CD2-CH2 3.46Å; Y4-W70 AromaticContact CD2-CZ3 3.82Å; Y4-W70 HydrophobicContact CD2-CZ3 3.82Å; Y4-W70 AromaticContact CE2-CH2 3.98Å; Y4-W70 HydrophobicContact CE2-CH2 3.98Å; Y4-W70 AromaticContact CG-CH2 3.69Å; Y4-W70 HydrophobicContact CG-CH2 3.69Å; Y4-W70 HydrophobicContact CG-CZ3 4.02Å; F9-W70 HydrophobicContact CB-CE3 4.2Å; F9-W70 HydrophobicContact CB-CZ3 4.17Å; F9-W70 HydrophobicContact CD2-CB 3.96Å; F9-W70 AromaticContact CD2-CD2 3.64Å; F9-W70 HydrophobicContact CD2-CD2 3.64Å; F9-W70 AromaticContact CD2-CE3 3.83Å; F9-W70 HydrophobicContact CD2-CE3 3.83Å; F9-W70 AromaticContact CD2-CG 3.7Å; F9-W70 HydrophobicContact CD2-CG 3.7Å; F9-W70 HydrophobicContact CD2-CZ3 4.49Å; F9-W70 HydrophobicContact CE2-CB 3.74Å; F9-W70 HydrophobicContact CE2-CD2 4.25Å; F9-W70 AromaticContact CE2-CG 3.81Å; F9-W70 HydrophobicContact CE2-CG 3.81Å; F9-W70 HydrophobicContact CG-CE3 4.38Å; E66-W70 VanDerWaalsContact O-CB 3.26Å; E66-W70 WeakPolarHBondContact O-CB 3.29Å; E66-W70 PolarHBondContact O-N 3.43Å; Y67-W70 HydrophobicContact CD2-CE3 4.27Å; Y67-W70 WeakPolarHBondContact O-CB 3.48Å; Y67-W70 PolarHBondContact O-N 2.57Å; Y67-W70 VanDerWaalsContact O-N 3.14Å; W70-K72 VanDerWaalsContact C-N 3.28Å; W70-K72 PolarHBondContact O-N 3.1Å
71L96.1Very high96.5Very high34 Ų3469.3 Ų69.318%0.17832%0.324CS..Hα-helixtrans-66.9-25.5176-72.4178.6000114.1M1 K2 Y67 E69M1-L71 WeakPolarHBondContact CG-O 3.4Å; K2-L71 HydrophobicContact CB-CD2 3.8Å; K2-L71 PolarHBondContact N-O 3.07Å; Y67-L71 HydrophobicContact CD2-CD1 4.45Å; Y67-L71 HydrophobicContact CD2-CG 4.18Å; Y67-L71 HydrophobicContact CE1-CD1 3.97Å; Y67-L71 HydrophobicContact CE2-CD1 3.82Å; Y67-L71 HydrophobicContact CE2-CD2 3.83Å; Y67-L71 HydrophobicContact CE2-CG 3.76Å; Y67-L71 WeakPolarHBondContact O-CG 3.28Å; Y67-L71 PolarHBondContact O-N 3.32Å; E69-L71 VanDerWaalsContact C-N 3.26Å; E69-L71 PolarHBondContact O-N 3.27Å
72K94Very high96.3Very high128 Ų12869.5 Ų69.556%0.55732%0.321SS*.Hα-helixtrans-75.1-25.2-178.3-63.2174.1-169.61710112.6E69 W70E69-K72 WeakPolarHBondContact O-CB 3.39Å; E69-K72 PolarHBondContact O-N 3.2Å; E69-K72 IonicContact OE1-NZ 2.62Å; E69-K72 PolarHBondContact OE1-NZ 3.47Å; E69-K72 IonicContact OE2-NZ 3.45Å; E69-K72 PolarHBondContact OE2-NZ 2.63Å; W70-K72 VanDerWaalsContact C-N 3.28Å; W70-K72 PolarHBondContact O-N 3.1Å
73F83.5Confident96.1Very high187 Ų18768.6 Ų68.682%0.8231%0.312SS*.  trans-85.60175-59.7-76.5000111.5K2 E69K2-F73 WeakPolarHBondContact CD-OXT 3.48Å; K2-F73 WeakPolarHBondContact CE-OXT 3.25Å; K2-F73 WeakPolarHBondContact CG-OXT 3.4Å; K2-F73 PolarHBondContact NZ-OXT 3.24Å; E69-F73 WeakPolarHBondContact O-CD2 3.31Å; E69-F73 WeakPolarHBondContact O-CE2 3.42Å

Retrieved 73 of 73 residues in 367.8 ms (Link to these results)

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