A0A077ZCY5_TRITR Loading...

Auto anti-p27 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZCY5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 146 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
1M76.4Confident88.6Confident145 Ų14595.7 Ų95.771%0.71450%0.501SS*.  0164.30-65.1-161.7-167.600111.2A3 E4 R5M1-A3 VanDerWaalsContact C-N 3.33Å; M1-A3 PolarHBondContact O-N 3.25Å; M1-E4 PolarHBondContact N-OE2 3.37Å; M1-E4 WeakPolarHBondContact O-CB 3.38Å; M1-E4 PolarHBondContact O-N 3.17Å; M1-E4 VanDerWaalsContact O-N 3.15Å; M1-R5 PolarHBondContact O-N 2.8Å
2M85.8Confident89Confident89 Ų8995.9 Ų95.944%0.43850%0.499SS..Hα-helixtrans-53.3-44.6-178.5-70.4173.9-179.400113.4E4 R5 L6 C22 F25 V35M2-E4 VanDerWaalsContact C-N 3.33Å; M2-E4 PolarHBondContact O-N 3.06Å; M2-R5 PolarHBondContact O-N 3.14Å; M2-L6 PolarHBondContact O-N 3.31Å; M2-C22 WeakPolarHBondContact CE-SG 3.33Å; M2-F25 HydrophobicContact CB-CZ 4.08Å; M2-F25 HydrophobicContact CG-CE2 4.15Å; M2-F25 HydrophobicContact CG-CZ 4.13Å; M2-V35 HydrophobicContact CE-CG2 4.11Å; M2-V35 HydrophobicContact CG-CG2 3.83Å
3A88.8Confident89.5Confident64 Ų6490.9 Ų90.953%0.52947%0.473SS..Hα-helixtrans-61.7-39.6179.600000112.6M1 R5 L6 L7M1-A3 VanDerWaalsContact C-N 3.33Å; M1-A3 PolarHBondContact O-N 3.25Å; A3-R5 VanDerWaalsContact C-N 3.32Å; A3-R5 PolarHBondContact O-N 3.24Å; A3-L6 PolarHBondContact O-N 3.44Å; A3-L7 WeakPolarHBondContact O-CG 3.49Å; A3-L7 PolarHBondContact O-N 3.2Å; A3-L7 VanDerWaalsContact O-N 3.11Å
4E87.7Confident89.8Confident112 Ų11292.5 Ų92.552%0.52351%0.506SS..Hα-helixtrans-64.4-37.3178.4-65.2164.3177.600111.7M1 M2 L6 L7 L8M1-E4 PolarHBondContact N-OE2 3.37Å; M1-E4 WeakPolarHBondContact O-CB 3.38Å; M1-E4 PolarHBondContact O-N 3.17Å; M1-E4 VanDerWaalsContact O-N 3.15Å; M2-E4 VanDerWaalsContact C-N 3.33Å; M2-E4 PolarHBondContact O-N 3.06Å; E4-L6 VanDerWaalsContact C-N 3.34Å; E4-L6 PolarHBondContact O-N 3.02Å; E4-L7 PolarHBondContact O-N 3.03Å; E4-L8 WeakPolarHBondContact O-CG 3.26Å; E4-L8 PolarHBondContact O-N 3.24Å
5R86.4Confident90.1Very high48 Ų4890.9 Ų90.918%0.18150%0.501CS..Hα-helixtrans-63.7-41.3177.3-65.1-82.5178.7-150.5-12.4111.3M1 M2 A3 L7 L8 G9 H10 F25 V35 D38M1-R5 PolarHBondContact O-N 2.8Å; M2-R5 PolarHBondContact O-N 3.14Å; A3-R5 VanDerWaalsContact C-N 3.32Å; A3-R5 PolarHBondContact O-N 3.24Å; R5-L7 VanDerWaalsContact C-N 3.33Å; R5-L7 PolarHBondContact O-N 3.28Å; R5-L8 CarbonylContact O-C 3.54Å; R5-L8 PolarHBondContact O-N 3.4Å; R5-L8 VanDerWaalsContact O-N 3.17Å; R5-G9 PolarHBondContact O-N 3.4Å; R5-H10 HydrophobicContact CB-CB 4Å; R5-H10 VanDerWaalsContact O-CB 3.24Å; R5-H10 WeakPolarHBondContact O-CB 3.27Å; R5-H10 PolarHBondContact O-N 3.09Å; R5-H10 PolarHBondContact O-ND1 2.92Å; R5-H10 VanDerWaalsContact O-ND1 3.14Å; R5-F25 HydrophobicContact CB-CD1 4.02Å; R5-F25 HydrophobicContact CB-CE1 4.23Å; R5-V35 HydrophobicContact CG-CG1 3.74Å; R5-D38 IonicContact CZ-OD2 2.58Å; R5-D38 VanDerWaalsContact CZ-OD2 3.26Å; R5-D38 IonicContact NH1-OD2 3.91Å; R5-D38 IonicContact NH2-OD2 3.68Å; R5-D38 PolarHBondContact NH2-OD2 3.33Å
6L90.4Very high90.4Very high90 Ų9089.4 Ų89.447%0.47150%0.498SS..Hα-helixtrans-62.2-41.4174.5-65.2174.6000111.7M2 A3 E4 L8 G9 F25M2-L6 PolarHBondContact O-N 3.31Å; A3-L6 PolarHBondContact O-N 3.44Å; E4-L6 VanDerWaalsContact C-N 3.34Å; E4-L6 PolarHBondContact O-N 3.02Å; L6-L8 VanDerWaalsContact C-N 3.26Å; L6-L8 PolarHBondContact O-N 3.31Å; L6-G9 PolarHBondContact O-N 3Å; L6-G9 VanDerWaalsContact O-N 3.08Å; L6-F25 HydrophobicContact CD2-CD1 4.44Å; L6-F25 HydrophobicContact CD2-CE1 3.77Å; L6-F25 HydrophobicContact CG-CE1 4.01Å
7L91.5Very high90.6Very high153 Ų15385.1 Ų85.180%0.80148%0.475SS*.Hα-helixtrans-65.9-29.5175.6-66.7173.4000112.7A3 E4 R5 G9A3-L7 WeakPolarHBondContact O-CG 3.49Å; A3-L7 PolarHBondContact O-N 3.2Å; A3-L7 VanDerWaalsContact O-N 3.11Å; E4-L7 PolarHBondContact O-N 3.03Å; R5-L7 VanDerWaalsContact C-N 3.33Å; R5-L7 PolarHBondContact O-N 3.28Å; L7-G9 PolarHBondContact O-N 2.72Å
8L90Very high90.8Very high112 Ų11289.7 Ų89.759%0.58650%0.498SS*.THydrogen-bonded Turntrans-80.35.7173.4-68.9169.8000113.5E4 R5 L6E4-L8 WeakPolarHBondContact O-CG 3.26Å; E4-L8 PolarHBondContact O-N 3.24Å; R5-L8 CarbonylContact O-C 3.54Å; R5-L8 PolarHBondContact O-N 3.4Å; R5-L8 VanDerWaalsContact O-N 3.17Å; L6-L8 VanDerWaalsContact C-N 3.26Å; L6-L8 PolarHBondContact O-N 3.31Å
9G91.1Very high90.9Very high52 Ų5294.6 Ų94.654%0.53651%0.514SS..THydrogen-bonded Turntrans80.914.1178.800000114.8R5 L6 L7R5-G9 PolarHBondContact O-N 3.4Å; L6-G9 PolarHBondContact O-N 3Å; L6-G9 VanDerWaalsContact O-N 3.08Å; L7-G9 PolarHBondContact O-N 2.72Å
10H92.7Very high91Very high20 Ų2092.4 Ų92.49%0.09351%0.505CS..PPolyproline II helixtrans-72.8145.2172.7-60.850.6000110.1R5 F25 E26R5-H10 HydrophobicContact CB-CB 4Å; R5-H10 VanDerWaalsContact O-CB 3.24Å; R5-H10 WeakPolarHBondContact O-CB 3.27Å; R5-H10 PolarHBondContact O-N 3.09Å; R5-H10 PolarHBondContact O-ND1 2.92Å; R5-H10 VanDerWaalsContact O-ND1 3.14Å; H10-F25 HydrophobicContact CB-CB 4.22Å; H10-F25 HydrophobicContact CB-CD1 4.04Å; H10-E26 CarbonylContact C-O 3.52Å; H10-E26 WeakPolarHBondContact CA-O 3.45Å; H10-E26 WeakPolarHBondContact CB-O 3.24Å
11R93.9Very high91Very high168 Ų16892.5 Ų92.563%0.63451%0.512SS*.EExtended strand (participates in β ladder)trans-101.5128.6177.9-177.1-177.3177.9-157.11.4110.3L13 F25 E26R11-L13 PolarHBondContact O-N 2.89Å; R11-F25 CarbonylContact O-C 3.46Å; R11-F25 VanDerWaalsContact O-CA 3.28Å; R11-F25 WeakPolarHBondContact O-CA 3.4Å; R11-E26 HydrophobicContact CB-CB 4.38Å; R11-E26 PolarHBondContact N-O 3.48Å; R11-E26 IonicContact NH1-OE2 3.91Å; R11-E26 PolarHBondContact O-N 3.09Å
12M93.9Very high91.7Very high98 Ų9886.5 Ų86.548%0.48349%0.485SS..EExtended strand (participates in β ladder)trans-69.2129.1173.5-172.7-179.3-71.300110.3V23 F25M12-V23 HydrophobicContact CG-CG1 3.45Å; M12-V23 VanDerWaalsContact CG-CG1 3.45Å; M12-V23 HydrophobicContact SD-CG1 4.09Å; M12-F25 HydrophobicContact CB-CD1 4.38Å; M12-F25 HydrophobicContact CB-CE1 4.06Å; M12-F25 HydrophobicContact CB-CZ 4.38Å; M12-F25 HydrophobicContact CE-CE1 4.15Å; M12-F25 HydrophobicContact CE-CE2 4.44Å; M12-F25 HydrophobicContact CE-CZ 3.63Å; M12-F25 HydrophobicContact CG-CE1 4.47Å; M12-F25 HydrophobicContact CG-CZ 4.3Å
13L94.5Very high92.1Very high31 Ų3184.5 Ų84.516%0.16248%0.478CS..EExtended strand (participates in β ladder)trans-92.3160.7177.5-61.3177.6000111.1R11 T15 V23 L24 E26 E32R11-L13 PolarHBondContact O-N 2.89Å; L13-T15 PolarHBondContact O-N 3.29Å; L13-V23 VanDerWaalsContact O-CG1 3.23Å; L13-V23 WeakPolarHBondContact O-CG1 3.49Å; L13-L24 HydrophobicContact CB-CB 4.29Å; L13-L24 WeakPolarHBondContact CB-O 3.23Å; L13-L24 HydrophobicContact CD1-CB 4.03Å; L13-L24 PolarHBondContact N-O 3.37Å; L13-E26 HydrophobicContact CD1-CB 4.24Å; L13-E26 HydrophobicContact CD2-CB 3.98Å; L13-E26 HydrophobicContact CG-CB 4.19Å; L13-E32 HydrophobicContact CD1-CB 4.46Å; L13-E32 HydrophobicContact CD1-CG 3.8Å
14A93.9Very high92.4Very high113 Ų11382.4 Ų82.493%0.93446%0.457SS*.EExtended strand (participates in β ladder)trans-87.716.5174.500000112.9
15T95Very high92.7Very high69 Ų6977.1 Ų77.142%0.42343%0.432SS..EExtended strand (participates in β ladder)trans-116.8153.8-179.550.30000110.3L13 L24L13-T15 PolarHBondContact O-N 3.29Å; T15-L24 PolarHBondContact O-N 2.99Å
16C94.1Very high93.1Very high67 Ų6777.7 Ų77.745%0.45344%0.437SS..EExtended strand (participates in β ladder)trans-112.2151.1178-64.90000110.3D18 C22C16-D18 PolarHBondContact O-N 2.76Å; C16-C22 CarbonylContact C-O 3.52Å; C16-C22 WeakPolarHBondContact CA-O 3.38Å
17C94.6Very high93.2Very high16 Ų1674.7 Ų74.711%0.10842%0.422CS..  trans-67.9127173.9177.60000110.6K19 C20 S21 C22 L24 C34C17-K19 PolarHBondContact O-N 3Å; C17-K19 VanDerWaalsContact O-N 3.09Å; C17-C20 PolarHBondContact O-N 3.08Å; C17-S21 VanDerWaalsContact O-CA 3.24Å; C17-S21 WeakPolarHBondContact O-CA 3.4Å; C17-S21 PolarHBondContact O-N 3.27Å; C17-C22 PolarHBondContact N-O 3.42Å; C17-L24 HydrophobicContact CB-CD2 3.79Å; C17-L24 HydrophobicContact CB-CG 4.33Å; C17-C34 HydrophobicContact CB-CB 3.91Å; C17-C34 WeakPolarHBondContact CB-SG 3.45Å; C17-C34 VanDerWaalsContact SG-SG 3.68Å
18D93.5Very high93.2Very high168 Ų16871.7 Ų71.790%0.89841%0.412SS*.THydrogen-bonded Turntrans-60.4-23.4-179.5-60.8-39.5000114.2C16C16-D18 PolarHBondContact O-N 2.76Å
19K92.7Very high93.3Very high182 Ų18273.3 Ų73.379%0.79142%0.421SS*.THydrogen-bonded Turntrans-83.1-37.8-177.2-63.6-177.7-179.2178.30113.8C17C17-K19 PolarHBondContact O-N 3Å; C17-K19 VanDerWaalsContact O-N 3.09Å
20C93Very high93.3Very high50 Ų5072.8 Ų72.834%0.33842%0.416SS..THydrogen-bonded Turntrans-131.61-170.467.60000114.1C17 C22 C34 R36C17-C20 PolarHBondContact O-N 3.08Å; C20-C22 PolarHBondContact O-N 3.04Å; C20-C22 WeakPolarHBondContact SG-CB 3.44Å; C20-C34 PolarHBondContact SG-SG 3.05Å; C20-R36 HydrophobicContact CB-CG 4.27Å
21S91.8Very high93.3Very high95 Ų9578.6 Ų78.666%0.66444%0.441SS*.  trans56.419.5-177.8-51.90000114.7C17C17-S21 VanDerWaalsContact O-CA 3.24Å; C17-S21 WeakPolarHBondContact O-CA 3.4Å; C17-S21 PolarHBondContact O-N 3.27Å
22C91.2Very high93.3Very high20 Ų2076.2 Ų76.214%0.13544%0.437CS..PPolyproline II helixtrans-82145.6175.2-164.30000110.4M2 C16 C17 C20 L24 R36M2-C22 WeakPolarHBondContact CE-SG 3.33Å; C16-C22 CarbonylContact C-O 3.52Å; C16-C22 WeakPolarHBondContact CA-O 3.38Å; C17-C22 PolarHBondContact N-O 3.42Å; C20-C22 PolarHBondContact O-N 3.04Å; C20-C22 WeakPolarHBondContact SG-CB 3.44Å; C22-L24 PolarHBondContact O-N 2.8Å; C22-R36 HydrophobicContact CB-CB 3.96Å
23V93.2Very high93.2Very high47 Ų4772.4 Ų72.429%0.28542%0.419SS..EExtended strand (participates in β ladder)trans-59.8132.6177.9-179.50000110.5M12 L13M12-V23 HydrophobicContact CG-CG1 3.45Å; M12-V23 VanDerWaalsContact CG-CG1 3.45Å; M12-V23 HydrophobicContact SD-CG1 4.09Å; L13-V23 VanDerWaalsContact O-CG1 3.23Å; L13-V23 WeakPolarHBondContact O-CG1 3.49Å
24L95Very high93.1Very high20 Ų2071.4 Ų71.411%0.10542%0.415CS..EExtended strand (participates in β ladder)trans-79.4152.6176.9-69.2172.8000111.5L13 T15 C17 C22 C34L13-L24 HydrophobicContact CB-CB 4.29Å; L13-L24 WeakPolarHBondContact CB-O 3.23Å; L13-L24 HydrophobicContact CD1-CB 4.03Å; L13-L24 PolarHBondContact N-O 3.37Å; T15-L24 PolarHBondContact O-N 2.99Å; C17-L24 HydrophobicContact CB-CD2 3.79Å; C17-L24 HydrophobicContact CB-CG 4.33Å; C22-L24 PolarHBondContact O-N 2.8Å; L24-C34 HydrophobicContact CD2-CB 3.68Å
25F95Very high92.9Very high0 Ų066.5 Ų66.50%037%0.373CS..EExtended strand (participates in β ladder)trans-123.7140175.3-75.8-106.9000109.5M2 R5 L6 H10 R11 M12 E32 V33 V35M2-F25 HydrophobicContact CB-CZ 4.08Å; M2-F25 HydrophobicContact CG-CE2 4.15Å; M2-F25 HydrophobicContact CG-CZ 4.13Å; R5-F25 HydrophobicContact CB-CD1 4.02Å; R5-F25 HydrophobicContact CB-CE1 4.23Å; L6-F25 HydrophobicContact CD2-CD1 4.44Å; L6-F25 HydrophobicContact CD2-CE1 3.77Å; L6-F25 HydrophobicContact CG-CE1 4.01Å; H10-F25 HydrophobicContact CB-CB 4.22Å; H10-F25 HydrophobicContact CB-CD1 4.04Å; R11-F25 CarbonylContact O-C 3.46Å; R11-F25 VanDerWaalsContact O-CA 3.28Å; R11-F25 WeakPolarHBondContact O-CA 3.4Å; M12-F25 HydrophobicContact CB-CD1 4.38Å; M12-F25 HydrophobicContact CB-CE1 4.06Å; M12-F25 HydrophobicContact CB-CZ 4.38Å; M12-F25 HydrophobicContact CE-CE1 4.15Å; M12-F25 HydrophobicContact CE-CE2 4.44Å; M12-F25 HydrophobicContact CE-CZ 3.63Å; M12-F25 HydrophobicContact CG-CE1 4.47Å; M12-F25 HydrophobicContact CG-CZ 4.3Å; F25-E32 CarbonylContact O-C 3.49Å; F25-E32 WeakPolarHBondContact O-CA 3.41Å; F25-V33 PolarHBondContact N-O 3.32Å; F25-V33 PolarHBondContact O-N 2.79Å; F25-V35 HydrophobicContact CD2-CG1 3.51Å; F25-V35 HydrophobicContact CE2-CG1 3.75Å; F25-V35 HydrophobicContact CE2-CG2 4.37Å; F25-V35 HydrophobicContact CG-CG1 4.15Å
26E94.9Very high92.6Very high60 Ų6070.9 Ų70.928%0.2838%0.381SS..EExtended strand (participates in β ladder)trans-92.4124.9169.9-174.9179.9-161.300108.5H10 R11 L13 G30 K31H10-E26 CarbonylContact C-O 3.52Å; H10-E26 WeakPolarHBondContact CA-O 3.45Å; H10-E26 WeakPolarHBondContact CB-O 3.24Å; R11-E26 HydrophobicContact CB-CB 4.38Å; R11-E26 PolarHBondContact N-O 3.48Å; R11-E26 IonicContact NH1-OE2 3.91Å; R11-E26 PolarHBondContact O-N 3.09Å; L13-E26 HydrophobicContact CD1-CB 4.24Å; L13-E26 HydrophobicContact CD2-CB 3.98Å; L13-E26 HydrophobicContact CG-CB 4.19Å; E26-G30 WeakPolarHBondContact OE1-CA 3.4Å; E26-K31 WeakPolarHBondContact CA-O 3.46Å
27D92.4Very high92.3Very high27 Ų2768.6 Ų68.614%0.14437%0.366CS..  trans-72.5170.317484.4-8.2000111.4N29 G30 K31 V33D27-N29 PolarHBondContact O-N 3.29Å; D27-N29 VanDerWaalsContact OD1-C 3.26Å; D27-N29 VanDerWaalsContact OD1-CA 3.24Å; D27-N29 WeakPolarHBondContact OD1-CA 3.46Å; D27-N29 VanDerWaalsContact OD1-CB 3.32Å; D27-N29 WeakPolarHBondContact OD1-CB 3.42Å; D27-N29 PolarHBondContact OD1-N 3.14Å; D27-N29 PolarHBondContact OD2-ND2 3.01Å; D27-N29 VanDerWaalsContact OD2-ND2 3.16Å; D27-G30 PolarHBondContact O-N 3.21Å; D27-G30 PolarHBondContact OD1-N 3.42Å; D27-K31 PolarHBondContact N-O 2.91Å; D27-K31 WeakPolarHBondContact OD1-CB 3.08Å; D27-K31 PolarHBondContact OD1-N 3.47Å; D27-V33 HydrophobicContact CB-CG2 4.44Å
28P91.1Very high91.9Very high91 Ų9170 Ų7059%0.59137%0.373SS*.THydrogen-bonded Turntrans-60.4-12.3177-25.736000115.2
29N92.3Very high91.1Very high145 Ų14566.2 Ų66.278%0.77535%0.352SS*.THydrogen-bonded Turntrans-97.30.2177.5-49.8-62000112.7D27D27-N29 PolarHBondContact O-N 3.29Å; D27-N29 VanDerWaalsContact OD1-C 3.26Å; D27-N29 VanDerWaalsContact OD1-CA 3.24Å; D27-N29 WeakPolarHBondContact OD1-CA 3.46Å; D27-N29 VanDerWaalsContact OD1-CB 3.32Å; D27-N29 WeakPolarHBondContact OD1-CB 3.42Å; D27-N29 PolarHBondContact OD1-N 3.14Å; D27-N29 PolarHBondContact OD2-ND2 3.01Å; D27-N29 VanDerWaalsContact OD2-ND2 3.16Å
30G90.9Very high90.2Very high42 Ų4261.7 Ų61.743%0.43334%0.336SS..SBendtrans84.712.1-177.600000114.9E26 D27E26-G30 WeakPolarHBondContact OE1-CA 3.4Å; D27-G30 PolarHBondContact O-N 3.21Å; D27-G30 PolarHBondContact OD1-N 3.42Å
31K92.5Very high88.7Confident141 Ų14163.8 Ų63.861%0.61334%0.343SS*.  trans-87.3132.3178.3-173.2-174.7175.9-169.70110.6E26 D27E26-K31 WeakPolarHBondContact CA-O 3.46Å; D27-K31 PolarHBondContact N-O 2.91Å; D27-K31 WeakPolarHBondContact OD1-CB 3.08Å; D27-K31 PolarHBondContact OD1-N 3.47Å
32E93Very high87.2Confident119 Ų11964 Ų6456%0.55634%0.337SS*.EExtended strand (participates in β ladder)trans-75.8128.6172.7-56.8-170162.600111.4L13 F25L13-E32 HydrophobicContact CD1-CB 4.46Å; L13-E32 HydrophobicContact CD1-CG 3.8Å; F25-E32 CarbonylContact O-C 3.49Å; F25-E32 WeakPolarHBondContact O-CA 3.41Å
33V91.9Very high85.4Confident17 Ų1770.9 Ų70.910%0.10337%0.367CS..EExtended strand (participates in β ladder)trans-129.6131.4-177.3-177.30000109.1F25 D27 D38F25-V33 PolarHBondContact N-O 3.32Å; F25-V33 PolarHBondContact O-N 2.79Å; D27-V33 HydrophobicContact CB-CG2 4.44Å; V33-D38 HydrophobicContact CG1-CB 4.07Å
34C93.4Very high83.4Confident11 Ų1176.2 Ų76.27%0.07439%0.391CS..EExtended strand (participates in β ladder)trans-96.3111.7172.1176.90000110C17 C20 L24 R36 C37 D38C17-C34 HydrophobicContact CB-CB 3.91Å; C17-C34 WeakPolarHBondContact CB-SG 3.45Å; C17-C34 VanDerWaalsContact SG-SG 3.68Å; C20-C34 PolarHBondContact SG-SG 3.05Å; L24-C34 HydrophobicContact CD2-CB 3.68Å; C34-R36 PolarHBondContact O-N 2.99Å; C34-C37 HydrophobicContact CB-CB 3.99Å; C34-C37 PolarHBondContact O-N 2.8Å; C34-C37 VanDerWaalsContact O-N 3.09Å; C34-C37 VanDerWaalsContact SG-SG 3.68Å; C34-D38 VanDerWaalsContact O-CB 3.29Å; C34-D38 WeakPolarHBondContact O-CB 3.46Å; C34-D38 PolarHBondContact O-N 3.4Å
35V88.7Confident81.2Confident9 Ų983 Ų836%0.05542%0.422CS..Hα-helixtrans-59.5-23.5-177.5-58.70000114.4M2 R5 F25 L39M2-V35 HydrophobicContact CE-CG2 4.11Å; M2-V35 HydrophobicContact CG-CG2 3.83Å; R5-V35 HydrophobicContact CG-CG1 3.74Å; F25-V35 HydrophobicContact CD2-CG1 3.51Å; F25-V35 HydrophobicContact CE2-CG1 3.75Å; F25-V35 HydrophobicContact CE2-CG2 4.37Å; F25-V35 HydrophobicContact CG-CG1 4.15Å; V35-L39 VanDerWaalsContact O-CD1 3.31Å; V35-L39 WeakPolarHBondContact O-CD1 3.29Å; V35-L39 VanDerWaalsContact O-CG 3.24Å; V35-L39 WeakPolarHBondContact O-CG 3.24Å
36R88.8Confident78.6Confident161 Ų16191.6 Ų91.661%0.60846%0.462SS*.Hα-helixtrans-83.2-39.8178-17174.5-173.3-118.25.2111.4C20 C22 C34 I40C20-R36 HydrophobicContact CB-CG 4.27Å; C22-R36 HydrophobicContact CB-CB 3.96Å; C34-R36 PolarHBondContact O-N 2.99Å; R36-I40 WeakPolarHBondContact O-CD1 3.33Å; R36-I40 WeakPolarHBondContact O-CG1 3.3Å
37C89Confident76.5Confident20 Ų2094.4 Ų94.414%0.13549%0.485CS..Hα-helixtrans-76.8-38.4179.7-64.50000111.7C34 L39 I40 D41C34-C37 HydrophobicContact CB-CB 3.99Å; C34-C37 PolarHBondContact O-N 2.8Å; C34-C37 VanDerWaalsContact O-N 3.09Å; C34-C37 VanDerWaalsContact SG-SG 3.68Å; C37-L39 PolarHBondContact O-N 2.72Å; C37-I40 WeakPolarHBondContact O-CA 3.31Å; C37-I40 WeakPolarHBondContact O-CB 3.45Å; C37-I40 PolarHBondContact O-N 3.35Å; C37-D41 PolarHBondContact O-N 3.05Å
38D85.4Confident74.3Confident45 Ų4599.8 Ų99.824%0.24152%0.52CS..Hα-helixtrans-60.2-37.3179.4-153.551000111.5R5 V33 C34 I40 D41 D42R5-D38 IonicContact CZ-OD2 2.58Å; R5-D38 VanDerWaalsContact CZ-OD2 3.26Å; R5-D38 IonicContact NH1-OD2 3.91Å; R5-D38 IonicContact NH2-OD2 3.68Å; R5-D38 PolarHBondContact NH2-OD2 3.33Å; V33-D38 HydrophobicContact CG1-CB 4.07Å; C34-D38 VanDerWaalsContact O-CB 3.29Å; C34-D38 WeakPolarHBondContact O-CB 3.46Å; C34-D38 PolarHBondContact O-N 3.4Å; D38-I40 VanDerWaalsContact C-N 3.25Å; D38-I40 PolarHBondContact O-N 2.58Å; D38-D41 PolarHBondContact O-N 3.39Å; D38-D42 WeakPolarHBondContact O-CB 3.48Å; D38-D42 PolarHBondContact O-N 2.88Å
39L78.1Confident72.4Confident88 Ų88104 Ų10446%0.46153%0.531SS..Hα-helixtrans-66.2-24.8173.5-71.1173.2000113.8V35 C37V35-L39 VanDerWaalsContact O-CD1 3.31Å; V35-L39 WeakPolarHBondContact O-CD1 3.29Å; V35-L39 VanDerWaalsContact O-CG 3.24Å; V35-L39 WeakPolarHBondContact O-CG 3.24Å; C37-L39 PolarHBondContact O-N 2.72Å
40I72.9Confident70.7Confident88 Ų88103 Ų10345%0.45153%0.533SS..Hα-helixtrans-85.7-38.4178.5-60.9165.8000109.6R36 C37 D38 E43R36-I40 WeakPolarHBondContact O-CD1 3.33Å; R36-I40 WeakPolarHBondContact O-CG1 3.3Å; C37-I40 WeakPolarHBondContact O-CA 3.31Å; C37-I40 WeakPolarHBondContact O-CB 3.45Å; C37-I40 PolarHBondContact O-N 3.35Å; D38-I40 VanDerWaalsContact C-N 3.25Å; D38-I40 PolarHBondContact O-N 2.58Å; I40-E43 PolarHBondContact O-N 2.88Å
41D61.9Low68.5Low93 Ų93108.6 Ų108.650%0.49755%0.553SS.*Hα-helixtrans-70.4-35.9179.7-66.1-29.2000111.2C37 D38 E43 M44C37-D41 PolarHBondContact O-N 3.05Å; D38-D41 PolarHBondContact O-N 3.39Å; D41-E43 PolarHBondContact O-N 3.16Å; D41-M44 PolarHBondContact O-N 2.94Å
42D59.3Low66.2Low100 Ų100105.2 Ų105.254%0.53555%0.551SS.*THydrogen-bonded Turntrans-62.1-24.7173.3-80.7-20000113.2D38 M44D38-D42 WeakPolarHBondContact O-CB 3.48Å; D38-D42 PolarHBondContact O-N 2.88Å; D42-M44 VanDerWaalsContact C-N 3.25Å; D42-M44 PolarHBondContact O-N 3.33Å
43E54.3Low64Low165 Ų165111.4 Ų111.477%0.77157%0.57SS**THydrogen-bonded Turntrans-76.4-12.3175.7-70.5-172.4129.300112.9I40 D41I40-E43 PolarHBondContact O-N 2.88Å; D41-E43 PolarHBondContact O-N 3.16Å
44M51.9Low62.1Low158 Ų158117.4 Ų117.478%0.77860%0.599SS**THydrogen-bonded Turntrans-101.6-15.8-178.2-72.9-174.257.300114.5D41 D42 Q46D41-M44 PolarHBondContact O-N 2.94Å; D42-M44 VanDerWaalsContact C-N 3.25Å; D42-M44 PolarHBondContact O-N 3.33Å; M44-Q46 PolarHBondContact O-N 3.2Å; M44-Q46 VanDerWaalsContact O-N 3.17Å
45E48.7Very low59.7Low163 Ų163121.8 Ų121.876%0.76264%0.637SS**  trans-87.675.2174-69.6-167.1165.800111.2P47E45-P47 VanDerWaalsContact O-CD 3.23Å; E45-P47 WeakPolarHBondContact O-CD 3.44Å
46Q39.6Very low57.8Low181 Ų181127.7 Ų127.785%0.84667%0.668SS**PPolyproline II helixtrans-69119.3162.4-88.6-162.2-21.800109.9M44 T48M44-Q46 PolarHBondContact O-N 3.2Å; M44-Q46 VanDerWaalsContact O-N 3.17Å; Q46-T48 PolarHBondContact O-N 3.07Å
47P51.6Low56Low118 Ų118127 Ų12777%0.76668%0.681SS**PPolyproline II helixtrans-73.6123.3175-12.729.6000109.9E45 E49E45-P47 VanDerWaalsContact O-CD 3.23Å; E45-P47 WeakPolarHBondContact O-CD 3.44Å; P47-E49 PolarHBondContact O-N 2.98Å
48T45.4Very low53.8Low140 Ų140131.2 Ų131.286%0.85971%0.708SS**PPolyproline II helixtrans-53119.7166.1-47.30000109.1Q46Q46-T48 PolarHBondContact O-N 3.07Å
49E51.1Low51.6Low180 Ų180135.9 Ų135.984%0.84174%0.738SS**PPolyproline II helixtrans-61.5138.1-177.8-58.1-143.7144.800112.7P47P47-E49 PolarHBondContact O-N 2.98Å
50P55.6Low49.9Very low124 Ų124136.5 Ų136.581%0.80576%0.757SS**  trans-107.3110.2154.631.4-18.1000110.2
51D44.6Very low48.3Very low159 Ų159135.5 Ų135.585%0.8577%0.768SS**  trans28.4138.4146.5-140.2-9.9000121.8
52A45Very low47.6Very low70 Ų70139.5 Ų139.558%0.57979%0.788SS**  trans-61.1148.9-176.800000114.3
53R46.1Very low46.7Very low250 Ų250142.6 Ų142.694%0.94380%0.804SS**  -167.7129.4124.4-96.4149.5-157-119.68.8111.6
54I53Low46.2Very low142 Ų142139.9 Ų139.973%0.72880%0.801SS**  trans-76.9140.8-174.5-63.9166.5000110.2N56I54-N56 WeakPolarHBondContact CG2-OD1 3.2Å
55A43.6Very low45.8Very low104 Ų104140 Ų14086%0.8680%0.803SS**  trans-154.9125.6147.100000110.8
56N47.6Very low45.5Very low133 Ų133135.5 Ų135.571%0.71179%0.794SS**  trans-103.8141.4-171.3-35-41.2000108.2I54I54-N56 WeakPolarHBondContact CG2-OD1 3.2Å
57V52Low46.1Very low145 Ų145134.1 Ų134.188%0.87979%0.793SS**  trans-153126.6143.6-173.70000109.7
58P41.3Very low45.7Very low109 Ų109134.2 Ų134.271%0.70879%0.791SS**  trans-96.4144.2173.934.5-28.2000114
59T40.4Very low45.6Very low143 Ų143130.5 Ų130.588%0.87778%0.781SS**  trans16.3123.3142.2-46.30000120
60A41.7Very low45.2Very low102 Ų102130.3 Ų130.384%0.84378%0.78SS**  trans-172.6137.6130.500000111.1
61G39.5Very low44.9Very low67 Ų67131.2 Ų131.269%0.69178%0.778SS**  trans124.1115.6140.700000117.5
62L47.7Very low45Very low177 Ų177130.6 Ų130.693%0.92777%0.774SS**  trans93.488.6137.1-51.2171000118.1
63L40.9Very low45Very low164 Ų164138 Ų13886%0.85979%0.787SS**  trans-87.8175.4134.8-73.8177.1000108.4
64P43.6Very low44.9Very low108 Ų108130.5 Ų130.570%0.70177%0.771SS**  cis-131.8-168.8-1622.13.3000111.4
65L42.5Very low44.2Very low160 Ų160133.1 Ų133.184%0.83878%0.779SS**  trans128.6123.8136.5-126.677.4000116.1
66A42Very low44.2Very low69 Ų69133.8 Ų133.857%0.5777%0.773SS**  100.2131.2126.700000120.7
67N52.4Low43.9Very low152 Ų152132.7 Ų132.781%0.81377%0.773SS**  trans88.1148.6143.4-61.1-13000118.2
68T43.7Very low43.6Very low120 Ų120134.1 Ų134.174%0.73677%0.773SS**  cis179.9148.6-19-67.40000103.1
69G42.7Very low43.4Very low62 Ų62137.4 Ų137.464%0.63978%0.779SS**  trans140.191.3165.400000111.5
70E44Very low43.4Very low177 Ų177137 Ų13783%0.82778%0.779SS**  61.4105.981.8-63.9-169.9117.900113.7
71N48Very low43.1Very low142 Ų142139 Ų13976%0.75977%0.771SS**  -175.6113.9124.2-104.1-85000111.8
72L48.2Very low43.3Very low147 Ų147142.8 Ų142.877%0.7777%0.772SS**  31.3138.1124.4-68.2150.2000118.1
73R43.7Very low43Very low226 Ų226142.7 Ų142.785%0.85377%0.767SS**  cis-175-171.63.3-147.8-159.2150.7152.3-7.7104.8
74P43.9Very low43.5Very low92 Ų92140.6 Ų140.660%0.59777%0.766SS**  -115.9155.7-126.933.9-12.1000115.5
75H40.2Very low43.9Very low197 Ų197143.8 Ų143.891%0.91277%0.769SS**  trans-147.4133.7156.7-130.6-81.9000112.3
76V42.9Very low44.6Very low118 Ų118140.1 Ų140.172%0.71576%0.757SS**  trans-116.8167.4-175.1-177.80000106
77P41.9Very low45.4Very low110 Ų110140.9 Ų140.971%0.71476%0.755SS**  -122.9144-57.235-19000111.7
78I44.2Very low46Very low174 Ų174139.9 Ų139.989%0.89275%0.749SS**  trans-135.2130.7164.1-54.6179.2000109.3
79Q38.1Very low47.2Very low178 Ų178141 Ų14183%0.83275%0.746SS**  trans-49.6144.1-165.2-60.1-178.2-49.800116.5
80P39.3Very low48.8Very low134 Ų134140.5 Ų140.587%0.8773%0.733SS**  trans-96.6105.8156.933.5-21.1000108.8
81H36.1Very low50.5Low144 Ų144136.1 Ų136.167%0.66772%0.715SS**  trans-105.7142.9153.3107-49.1000107.2
82M43Very low51.9Low147 Ų147134.4 Ų134.472%0.72471%0.705SS**SBendtrans100.9132.3173.9-60.1-73.5152.700116.4
83E43Very low53.4Low175 Ų175133.3 Ų133.382%0.81870%0.696SS**  trans89.669.2165.7-59.6-172.291.700119K85E83-K85 VanDerWaalsContact C-N 3.26Å; E83-K85 PolarHBondContact O-N 2.97Å
84S50.6Low55.2Low120 Ų120131.1 Ų131.184%0.83969%0.688SS**  trans-83.719.7158.6490000114.3
85K51.8Low57.3Low175 Ų175132.7 Ų132.776%0.76169%0.687SS**  trans-94.5-15.1-176.6-152.2172.7-177.5-177.50114.9E83E83-K85 VanDerWaalsContact C-N 3.26Å; E83-K85 PolarHBondContact O-N 2.97Å
86S57.5Low59.4Low83 Ų83127.1 Ų127.158%0.5867%0.667SS**Hα-helixtrans-79.3-18.3-175.3920000114.4D88 S90S86-D88 PolarHBondContact O-N 3.43Å; S86-S90 WeakPolarHBondContact O-CB 3.48Å; S86-S90 PolarHBondContact O-N 3.42Å; S86-S90 PolarHBondContact O-OG 2.78Å
87T58.9Low61.4Low86 Ų86125.2 Ų125.253%0.52865%0.65SS.*Hα-helixtrans-70.4-31.5-177.4-45.40000112.5S90 N91T87-S90 PolarHBondContact O-OG 3.12Å; T87-S90 VanDerWaalsContact O-OG 3.12Å; T87-N91 PolarHBondContact O-N 2.94Å; T87-N91 PolarHBondContact O-ND2 3.36Å
88D64.1Low63.4Low131 Ų131123 Ų12370%0.70163%0.634SS**Hα-helixtrans-77.8-43.6-175.6-147.85.1000111.5S86 S90 N91 L92S86-D88 PolarHBondContact O-N 3.43Å; D88-S90 PolarHBondContact O-N 2.9Å; D88-N91 PolarHBondContact O-N 3.06Å; D88-L92 PolarHBondContact O-N 3.29Å
89E68.7Low65.5Low142 Ų142118.9 Ų118.966%0.66461%0.611SS**Hα-helixtrans-66.6-38.4177.5-68.5-164.7125.400112.8L92 Q93E89-L92 PolarHBondContact O-N 2.97Å; E89-Q93 WeakPolarHBondContact O-CB 3.28Å; E89-Q93 WeakPolarHBondContact O-CG 3.39Å; E89-Q93 PolarHBondContact O-N 3.5Å
90S77Confident67.8Low53 Ų53113.4 Ų113.437%0.37159%0.589SS.*Hα-helixtrans-67.2-35.9177.656.70000112.5S86 T87 D88 R94S86-S90 WeakPolarHBondContact O-CB 3.48Å; S86-S90 PolarHBondContact O-N 3.42Å; S86-S90 PolarHBondContact O-OG 2.78Å; T87-S90 PolarHBondContact O-OG 3.12Å; T87-S90 VanDerWaalsContact O-OG 3.12Å; D88-S90 PolarHBondContact O-N 2.9Å; S90-R94 VanDerWaalsContact O-CG 3.24Å; S90-R94 WeakPolarHBondContact O-CG 3.48Å; S90-R94 PolarHBondContact O-N 2.79Å; S90-R94 VanDerWaalsContact O-N 3.15Å
91N79.3Confident69.9Low84 Ų84111.5 Ų111.545%0.44957%0.565SS.*Hα-helixtrans-69-44.7173.6-77.7-51000111.6T87 D88 Q93 R94 E95T87-N91 PolarHBondContact O-N 2.94Å; T87-N91 PolarHBondContact O-ND2 3.36Å; D88-N91 PolarHBondContact O-N 3.06Å; N91-Q93 PolarHBondContact O-N 2.95Å; N91-R94 PolarHBondContact O-N 2.95Å; N91-E95 PolarHBondContact O-N 2.82Å
92L78.2Confident72.3Confident106 Ų106110.3 Ų110.356%0.55556%0.558SS**Hα-helixtrans-59.8-45.6176.7-177.764.1000111.9D88 E89 R94 E95 V96D88-L92 PolarHBondContact O-N 3.29Å; E89-L92 PolarHBondContact O-N 2.97Å; L92-R94 VanDerWaalsContact C-N 3.35Å; L92-R94 PolarHBondContact O-N 3Å; L92-E95 PolarHBondContact O-N 2.88Å; L92-V96 HydrophobicContact CD1-CG2 4.48Å; L92-V96 VanDerWaalsContact O-CG2 3.31Å; L92-V96 WeakPolarHBondContact O-CG2 3.43Å; L92-V96 PolarHBondContact O-N 2.88Å
93Q79.2Confident74.4Confident125 Ų125107.5 Ų107.558%0.58455%0.549SS*.Hα-helixtrans-59.9-45.1176.2-76.2-171.2-5.400111.6E89 N91 E95 V96 F97E89-Q93 WeakPolarHBondContact O-CB 3.28Å; E89-Q93 WeakPolarHBondContact O-CG 3.39Å; E89-Q93 PolarHBondContact O-N 3.5Å; N91-Q93 PolarHBondContact O-N 2.95Å; Q93-E95 VanDerWaalsContact C-N 3.31Å; Q93-E95 PolarHBondContact O-N 2.79Å; Q93-V96 PolarHBondContact O-N 3.16Å; Q93-F97 WeakPolarHBondContact O-CB 3.34Å; Q93-F97 WeakPolarHBondContact O-CD2 3.48Å; Q93-F97 PolarHBondContact O-N 3.3Å
94R82.3Confident76.4Confident179 Ų179101 Ų10168%0.67552%0.519SS*.Hα-helixtrans-62.5-38.2178-73.1176.981.7174.17.6112.3S90 N91 L92 T98S90-R94 VanDerWaalsContact O-CG 3.24Å; S90-R94 WeakPolarHBondContact O-CG 3.48Å; S90-R94 PolarHBondContact O-N 2.79Å; S90-R94 VanDerWaalsContact O-N 3.15Å; N91-R94 PolarHBondContact O-N 2.95Å; L92-R94 VanDerWaalsContact C-N 3.35Å; L92-R94 PolarHBondContact O-N 3Å; R94-T98 WeakPolarHBondContact O-CB 3.47Å; R94-T98 PolarHBondContact O-N 3.25Å; R94-T98 PolarHBondContact O-OG1 3.37Å
95E86.4Confident77.9Confident125 Ų12597 Ų9758%0.58449%0.494SS*.Hα-helixtrans-64.6-49175.6-173.4173.1-171.300111.2N91 L92 Q93 F97 T98 E99N91-E95 PolarHBondContact O-N 2.82Å; L92-E95 PolarHBondContact O-N 2.88Å; Q93-E95 VanDerWaalsContact C-N 3.31Å; Q93-E95 PolarHBondContact O-N 2.79Å; E95-F97 PolarHBondContact O-N 2.64Å; E95-T98 WeakPolarHBondContact O-CA 3.32Å; E95-T98 WeakPolarHBondContact O-CB 3.24Å; E95-T98 PolarHBondContact O-N 2.99Å; E95-E99 PolarHBondContact O-N 3.42Å
96V85.8Confident79.5Confident81 Ų8191.4 Ų91.449%0.49148%0.476SS..Hα-helixtrans-57.9-47.4176.2173.50000111.1L92 Q93 T98 E99 V100L92-V96 HydrophobicContact CD1-CG2 4.48Å; L92-V96 VanDerWaalsContact O-CG2 3.31Å; L92-V96 WeakPolarHBondContact O-CG2 3.43Å; L92-V96 PolarHBondContact O-N 2.88Å; Q93-V96 PolarHBondContact O-N 3.16Å; V96-T98 VanDerWaalsContact C-N 3.27Å; V96-T98 PolarHBondContact O-N 3.47Å; V96-E99 PolarHBondContact O-N 3.32Å; V96-V100 HydrophobicContact CG1-CG2 4.3Å; V96-V100 WeakPolarHBondContact O-CB 3.48Å; V96-V100 VanDerWaalsContact O-CG2 3.26Å; V96-V100 WeakPolarHBondContact O-CG2 3.39Å; V96-V100 PolarHBondContact O-N 3.15Å
97F83.5Confident80.7Confident78 Ų7892.8 Ų92.834%0.34247%0.473SS..Hα-helixtrans-61.2-36.9176.2-87.4-71000112.3Q93 E95 R101 F142Q93-F97 WeakPolarHBondContact O-CB 3.34Å; Q93-F97 WeakPolarHBondContact O-CD2 3.48Å; Q93-F97 PolarHBondContact O-N 3.3Å; E95-F97 PolarHBondContact O-N 2.64Å; F97-R101 WeakPolarHBondContact O-CB 3.23Å; F97-R101 VanDerWaalsContact O-CG 3.23Å; F97-R101 WeakPolarHBondContact O-CG 3.36Å; F97-R101 PolarHBondContact O-N 3.27Å; F97-F142 HydrophobicContact CE1-CD1 4.34Å; F97-F142 HydrophobicContact CE1-CG 4.35Å; F97-F142 HydrophobicContact CZ-CD1 4.3Å; F97-F142 HydrophobicContact CZ-CE1 4.47Å
98T85.2Confident81.8Confident62 Ų6291.1 Ų91.138%0.3846%0.461SS..Hα-helixtrans-66.1-44.5177.7-61.50000111.2R94 E95 V96 R101 K102R94-T98 WeakPolarHBondContact O-CB 3.47Å; R94-T98 PolarHBondContact O-N 3.25Å; R94-T98 PolarHBondContact O-OG1 3.37Å; E95-T98 WeakPolarHBondContact O-CA 3.32Å; E95-T98 WeakPolarHBondContact O-CB 3.24Å; E95-T98 PolarHBondContact O-N 2.99Å; V96-T98 VanDerWaalsContact C-N 3.27Å; V96-T98 PolarHBondContact O-N 3.47Å; T98-R101 PolarHBondContact O-N 2.96Å; T98-K102 WeakPolarHBondContact O-CG 3.41Å; T98-K102 PolarHBondContact O-N 3.15Å; T98-K102 VanDerWaalsContact O-N 3.09Å
99E88.1Confident82.8Confident89 Ų8993.3 Ų93.342%0.41646%0.459SS..Hα-helixtrans-66.3-44.3176.5-71.9-52.9124.700112.3E95 V96 R101 K102 V103E95-E99 PolarHBondContact O-N 3.42Å; V96-E99 PolarHBondContact O-N 3.32Å; E99-R101 VanDerWaalsContact C-N 3.29Å; E99-R101 PolarHBondContact O-N 3.4Å; E99-K102 WeakPolarHBondContact O-CB 3.43Å; E99-K102 PolarHBondContact O-N 3.12Å; E99-K102 VanDerWaalsContact O-N 3.07Å; E99-K102 WeakPolarHBondContact OE1-CD 3.48Å; E99-K102 IonicContact OE1-NZ 2.68Å; E99-K102 PolarHBondContact OE1-NZ 2.92Å; E99-V103 WeakPolarHBondContact O-CG2 3.28Å; E99-V103 PolarHBondContact O-N 2.9Å
100V85.3Confident83.4Confident62 Ų6291 Ų9138%0.37645%0.451SS..Hα-helixtrans-58-42.8175.4170.20000111.1V96 K102 V103 I104V96-V100 HydrophobicContact CG1-CG2 4.3Å; V96-V100 WeakPolarHBondContact O-CB 3.48Å; V96-V100 VanDerWaalsContact O-CG2 3.26Å; V96-V100 WeakPolarHBondContact O-CG2 3.39Å; V96-V100 PolarHBondContact O-N 3.15Å; V100-K102 PolarHBondContact O-N 3.41Å; V100-V103 PolarHBondContact O-N 3.41Å; V100-I104 HydrophobicContact CG1-CD1 3.73Å; V100-I104 WeakPolarHBondContact O-CB 3.3Å; V100-I104 WeakPolarHBondContact O-CG1 3.19Å; V100-I104 PolarHBondContact O-N 3.01Å
101R84Confident83.4Confident95 Ų9590.2 Ų90.236%0.35845%0.447SS..Hα-helixtrans-61.5-40.7175.2-78.4172.7-176.5168.2-0.6112.5F97 T98 E99 A105 F139 D143F97-R101 WeakPolarHBondContact O-CB 3.23Å; F97-R101 VanDerWaalsContact O-CG 3.23Å; F97-R101 WeakPolarHBondContact O-CG 3.36Å; F97-R101 PolarHBondContact O-N 3.27Å; T98-R101 PolarHBondContact O-N 2.96Å; E99-R101 VanDerWaalsContact C-N 3.29Å; E99-R101 PolarHBondContact O-N 3.4Å; R101-A105 VanDerWaalsContact O-CB 3.29Å; R101-A105 WeakPolarHBondContact O-CB 3.24Å; R101-A105 PolarHBondContact O-N 3.33Å; R101-F139 HydrophobicContact CG-CD1 4.46Å; R101-F139 HydrophobicContact CG-CE1 4.23Å; R101-D143 IonicContact CZ-OD1 3.58Å; R101-D143 IonicContact NH1-OD1 3.93Å; R101-D143 IonicContact NH2-OD1 2.63Å; R101-D143 PolarHBondContact NH2-OD1 3.32Å; R101-D143 IonicContact NH2-OD2 3.7Å
102K86.5Confident83.4Confident118 Ų11889.9 Ų89.951%0.51345%0.445SS..Hα-helixtrans-64.1-47.9177.9-72.9172.5-175.2169.70111.6T98 E99 V100 I104 A105 S106T98-K102 WeakPolarHBondContact O-CG 3.41Å; T98-K102 PolarHBondContact O-N 3.15Å; T98-K102 VanDerWaalsContact O-N 3.09Å; E99-K102 WeakPolarHBondContact O-CB 3.43Å; E99-K102 PolarHBondContact O-N 3.12Å; E99-K102 VanDerWaalsContact O-N 3.07Å; E99-K102 WeakPolarHBondContact OE1-CD 3.48Å; E99-K102 IonicContact OE1-NZ 2.68Å; E99-K102 PolarHBondContact OE1-NZ 2.92Å; V100-K102 PolarHBondContact O-N 3.41Å; K102-I104 VanDerWaalsContact C-N 3.34Å; K102-I104 PolarHBondContact O-N 2.84Å; K102-A105 PolarHBondContact O-N 3.17Å; K102-S106 PolarHBondContact O-N 3.32Å
103V87.4Confident83.7Confident89 Ų8988.1 Ų88.154%0.53944%0.439SS..Hα-helixtrans-57.8-50.2178.4172.20000110E99 V100 A105 S106 E107E99-V103 WeakPolarHBondContact O-CG2 3.28Å; E99-V103 PolarHBondContact O-N 2.9Å; V100-V103 PolarHBondContact O-N 3.41Å; V103-A105 PolarHBondContact O-N 3.49Å; V103-S106 VanDerWaalsContact O-CB 3.31Å; V103-S106 WeakPolarHBondContact O-CB 3.45Å; V103-S106 PolarHBondContact O-N 2.99Å; V103-S106 VanDerWaalsContact O-N 3.11Å; V103-E107 PolarHBondContact O-N 3.48Å
104I84.3Confident83.6Confident38 Ų3884.8 Ų84.820%0.19542%0.423CS..Hα-helixtrans-62.2-46.1179.7-74.3165.6000111V100 K102 S106 E107 I108 L135 F139V100-I104 HydrophobicContact CG1-CD1 3.73Å; V100-I104 WeakPolarHBondContact O-CB 3.3Å; V100-I104 WeakPolarHBondContact O-CG1 3.19Å; V100-I104 PolarHBondContact O-N 3.01Å; K102-I104 VanDerWaalsContact C-N 3.34Å; K102-I104 PolarHBondContact O-N 2.84Å; I104-S106 PolarHBondContact O-N 3.14Å; I104-E107 PolarHBondContact O-N 2.91Å; I104-E107 VanDerWaalsContact O-N 3.14Å; I104-I108 HydrophobicContact CG2-CD1 3.66Å; I104-I108 HydrophobicContact CG2-CG1 4.09Å; I104-I108 WeakPolarHBondContact O-CG1 3.31Å; I104-I108 PolarHBondContact O-N 3.3Å; I104-L135 HydrophobicContact CD1-CD1 4.46Å; I104-L135 HydrophobicContact CD1-CD2 4.43Å; I104-L135 HydrophobicContact CG2-CD2 3.49Å; I104-L135 VanDerWaalsContact CG2-CD2 3.49Å; I104-L135 HydrophobicContact CG2-CG 4.46Å; I104-F139 HydrophobicContact CD1-CE2 3.69Å; I104-F139 HydrophobicContact CD1-CZ 3.31Å; I104-F139 HydrophobicContact CG2-CE2 4Å
105A83.2Confident83.1Confident37 Ų3778.6 Ų78.631%0.30640%0.401SS..Hα-helixtrans-57.6-35.6176.800000112.5R101 K102 V103 R109R101-A105 VanDerWaalsContact O-CB 3.29Å; R101-A105 WeakPolarHBondContact O-CB 3.24Å; R101-A105 PolarHBondContact O-N 3.33Å; K102-A105 PolarHBondContact O-N 3.17Å; V103-A105 PolarHBondContact O-N 3.49Å; A105-R109 VanDerWaalsContact O-CG 3.24Å; A105-R109 WeakPolarHBondContact O-CG 3.14Å; A105-R109 PolarHBondContact O-N 3.42Å; A105-R109 VanDerWaalsContact O-N 3.15Å
106S84.8Confident82.8Confident56 Ų5681.4 Ų81.439%0.39241%0.412SS..Hα-helixtrans-65-50.1173.8-1730000112K102 V103 I104 I108 R109 L110K102-S106 PolarHBondContact O-N 3.32Å; V103-S106 VanDerWaalsContact O-CB 3.31Å; V103-S106 WeakPolarHBondContact O-CB 3.45Å; V103-S106 PolarHBondContact O-N 2.99Å; V103-S106 VanDerWaalsContact O-N 3.11Å; I104-S106 PolarHBondContact O-N 3.14Å; S106-I108 VanDerWaalsContact C-N 3.34Å; S106-I108 PolarHBondContact O-N 3.26Å; S106-R109 WeakPolarHBondContact O-CB 3.32Å; S106-R109 PolarHBondContact O-N 3.44Å; S106-R109 VanDerWaalsContact O-N 3.12Å; S106-L110 WeakPolarHBondContact O-CG 3.24Å; S106-L110 PolarHBondContact O-N 3.11Å
107E83.4Confident82.8Confident112 Ų11283.1 Ų83.152%0.52341%0.413SS..Hα-helixtrans-60.4-42.3178.7-68.6-53.613100112.3V103 I104 R109 L110 A111V103-E107 PolarHBondContact O-N 3.48Å; I104-E107 PolarHBondContact O-N 2.91Å; I104-E107 VanDerWaalsContact O-N 3.14Å; E107-R109 VanDerWaalsContact C-N 3.31Å; E107-R109 PolarHBondContact O-N 3.22Å; E107-L110 PolarHBondContact O-N 3.22Å; E107-A111 WeakPolarHBondContact O-CB 3.32Å; E107-A111 PolarHBondContact O-N 3.02Å
108I81.9Confident82.4Confident52 Ų5282.3 Ų82.327%0.26743%0.426SS..Hα-helixtrans-60-43.6175.4-62.6-179.8000110.6I104 S106 A111 L112 L132I104-I108 HydrophobicContact CG2-CD1 3.66Å; I104-I108 HydrophobicContact CG2-CG1 4.09Å; I104-I108 WeakPolarHBondContact O-CG1 3.31Å; I104-I108 PolarHBondContact O-N 3.3Å; S106-I108 VanDerWaalsContact C-N 3.34Å; S106-I108 PolarHBondContact O-N 3.26Å; I108-A111 PolarHBondContact O-N 3.06Å; I108-L112 HydrophobicContact CG2-CD1 4.06Å; I108-L112 HydrophobicContact CG2-CG 4.46Å; I108-L112 WeakPolarHBondContact O-CB 3.43Å; I108-L112 VanDerWaalsContact O-CG 3.3Å; I108-L112 WeakPolarHBondContact O-CG 3.4Å; I108-L112 PolarHBondContact O-N 3.49Å; I108-L132 HydrophobicContact CB-CD2 4.05Å; I108-L132 HydrophobicContact CD1-CD2 3.68Å; I108-L132 HydrophobicContact CG1-CD2 3.36Å; I108-L132 HydrophobicContact CG2-CD1 4.48Å; I108-L132 HydrophobicContact CG2-CD2 3.78Å
109R83.7Confident81.9Confident177 Ų17787.6 Ų87.667%0.66844%0.439SS*.Hα-helixtrans-64.2-43.5178.3-74.9170.9-173.3159.72.4111.5A105 S106 E107 L112 V113A105-R109 VanDerWaalsContact O-CG 3.24Å; A105-R109 WeakPolarHBondContact O-CG 3.14Å; A105-R109 PolarHBondContact O-N 3.42Å; A105-R109 VanDerWaalsContact O-N 3.15Å; S106-R109 WeakPolarHBondContact O-CB 3.32Å; S106-R109 PolarHBondContact O-N 3.44Å; S106-R109 VanDerWaalsContact O-N 3.12Å; E107-R109 VanDerWaalsContact C-N 3.31Å; E107-R109 PolarHBondContact O-N 3.22Å; R109-L112 PolarHBondContact O-N 2.89Å; R109-V113 WeakPolarHBondContact O-CG2 3.2Å; R109-V113 PolarHBondContact O-N 3.13Å
110L82.6Confident81Confident94 Ų9486 Ų8649%0.49243%0.431SS..Hα-helixtrans-60.2-47.5176.1-71.3171.2000111S106 E107 L112 V113 E114S106-L110 WeakPolarHBondContact O-CG 3.24Å; S106-L110 PolarHBondContact O-N 3.11Å; E107-L110 PolarHBondContact O-N 3.22Å; L110-L112 VanDerWaalsContact C-N 3.32Å; L110-L112 PolarHBondContact O-N 3.21Å; L110-V113 PolarHBondContact O-N 3.46Å; L110-V113 VanDerWaalsContact O-N 3.12Å; L110-E114 PolarHBondContact O-N 2.96Å
111A76.2Confident80.7Confident35 Ų3587.7 Ų87.729%0.28944%0.438SS..Hα-helixtrans-58.1-42.9176.300000112E107 I108 V113 E114 F115E107-A111 WeakPolarHBondContact O-CB 3.32Å; E107-A111 PolarHBondContact O-N 3.02Å; I108-A111 PolarHBondContact O-N 3.06Å; A111-V113 PolarHBondContact O-N 3.34Å; A111-E114 PolarHBondContact O-N 2.91Å; A111-F115 VanDerWaalsContact O-CB 3.28Å; A111-F115 WeakPolarHBondContact O-CB 3.46Å; A111-F115 PolarHBondContact O-N 3.21Å
112L78.9Confident80.3Confident77 Ų7788.5 Ų88.540%0.40345%0.454SS..Hα-helixtrans-66.9-34176.6-72.9173.4000113.1I108 R109 L110 K116I108-L112 HydrophobicContact CG2-CD1 4.06Å; I108-L112 HydrophobicContact CG2-CG 4.46Å; I108-L112 WeakPolarHBondContact O-CB 3.43Å; I108-L112 VanDerWaalsContact O-CG 3.3Å; I108-L112 WeakPolarHBondContact O-CG 3.4Å; I108-L112 PolarHBondContact O-N 3.49Å; R109-L112 PolarHBondContact O-N 2.89Å; L110-L112 VanDerWaalsContact C-N 3.32Å; L110-L112 PolarHBondContact O-N 3.21Å; L112-K116 WeakPolarHBondContact O-CG 3.44Å; L112-K116 PolarHBondContact O-N 3.47Å
113V84.1Confident80Confident69 Ų6986.7 Ų86.742%0.41846%0.456SS..Hα-helixtrans-66.6-46.3174.6167.50000110.5R109 L110 A111 F115 K116 K117R109-V113 WeakPolarHBondContact O-CG2 3.2Å; R109-V113 PolarHBondContact O-N 3.13Å; L110-V113 PolarHBondContact O-N 3.46Å; L110-V113 VanDerWaalsContact O-N 3.12Å; A111-V113 PolarHBondContact O-N 3.34Å; V113-F115 VanDerWaalsContact C-N 3.32Å; V113-F115 PolarHBondContact O-N 3.14Å; V113-K116 PolarHBondContact O-N 3.11Å; V113-K117 HydrophobicContact CG1-CD 4.35Å; V113-K117 WeakPolarHBondContact O-CG 3.37Å; V113-K117 PolarHBondContact O-N 2.95Å
114E79Confident79.6Confident55 Ų5584.8 Ų84.826%0.25745%0.446SS..Hα-helixtrans-66.8-35.1178.1-65.7-58.3114.600112.1L110 A111 K117 R119L110-E114 PolarHBondContact O-N 2.96Å; A111-E114 PolarHBondContact O-N 2.91Å; E114-K117 PolarHBondContact O-N 3.3Å; E114-K117 IonicContact OE1-NZ 2.72Å; E114-K117 PolarHBondContact OE1-NZ 3.43Å; E114-R119 PolarHBondContact O-N 2.99Å; E114-R119 IonicContact OE1-NH1 3.77Å; E114-R119 VanDerWaalsContact OE2-CD 3.27Å; E114-R119 WeakPolarHBondContact OE2-CD 3.42Å; E114-R119 IonicContact OE2-CZ 3.61Å; E114-R119 IonicContact OE2-NE 3.26Å; E114-R119 IonicContact OE2-NH1 2.8Å; E114-R119 PolarHBondContact OE2-NH1 3.43Å
115F72Confident79Confident50 Ų5087.1 Ų87.122%0.21945%0.453CS..Hα-helixtrans-59.3-46.6170.2-179.3-80.6000111.9A111 V113 K117 G118 R125 L129A111-F115 VanDerWaalsContact O-CB 3.28Å; A111-F115 WeakPolarHBondContact O-CB 3.46Å; A111-F115 PolarHBondContact O-N 3.21Å; V113-F115 VanDerWaalsContact C-N 3.32Å; V113-F115 PolarHBondContact O-N 3.14Å; F115-K117 VanDerWaalsContact C-N 3.29Å; F115-K117 PolarHBondContact O-N 3.02Å; F115-G118 PolarHBondContact O-N 2.99Å; F115-G118 VanDerWaalsContact O-N 3.14Å; F115-R125 HydrophobicContact CD2-CB 3.93Å; F115-R125 HydrophobicContact CD2-CG 3.48Å; F115-R125 VanDerWaalsContact CD2-CG 3.48Å; F115-R125 HydrophobicContact CE2-CB 3.57Å; F115-R125 HydrophobicContact CE2-CG 3.55Å; F115-R125 HydrophobicContact CG-CG 4.46Å; F115-R125 VanDerWaalsContact CZ-CZ 3.44Å; F115-L129 HydrophobicContact CE2-CD1 4.38Å
116K79.9Confident78.9Confident184 Ų18489.7 Ų89.780%0.846%0.461SS*.Hα-helixtrans-66.3-30.1178.4-79-177.6177.1-176.20112.9L112 V113 G118L112-K116 WeakPolarHBondContact O-CG 3.44Å; L112-K116 PolarHBondContact O-N 3.47Å; V113-K116 PolarHBondContact O-N 3.11Å; K116-G118 PolarHBondContact O-N 3.46Å
117K84.6Confident78.8Confident117 Ų11791.1 Ų91.151%0.50946%0.461SS..THydrogen-bonded Turntrans-73.7-2174.7-69.6174.9-171.2164.60113.6V113 E114 F115 R119V113-K117 HydrophobicContact CG1-CD 4.35Å; V113-K117 WeakPolarHBondContact O-CG 3.37Å; V113-K117 PolarHBondContact O-N 2.95Å; E114-K117 PolarHBondContact O-N 3.3Å; E114-K117 IonicContact OE1-NZ 2.72Å; E114-K117 PolarHBondContact OE1-NZ 3.43Å; F115-K117 VanDerWaalsContact C-N 3.29Å; F115-K117 PolarHBondContact O-N 3.02Å; K117-R119 HydrophobicContact CB-CG 4.18Å; K117-R119 PolarHBondContact O-N 3.08Å
118G76.5Confident78.4Confident60 Ų6087.4 Ų87.462%0.61945%0.448SS*.THydrogen-bonded Turntrans70.117.2179.100000114.1F115 K116 Q120F115-G118 PolarHBondContact O-N 2.99Å; F115-G118 VanDerWaalsContact O-N 3.14Å; K116-G118 PolarHBondContact O-N 3.46Å; G118-Q120 VanDerWaalsContact C-N 3.26Å; G118-Q120 PolarHBondContact O-N 3.39Å
119R73.7Confident78.3Confident174 Ų17488.6 Ų88.666%0.65745%0.454SS*.  trans-80.5-3.7-178.2-67.8-166.5-163169.3-11.9114.3E114 K117E114-R119 PolarHBondContact O-N 2.99Å; E114-R119 IonicContact OE1-NH1 3.77Å; E114-R119 VanDerWaalsContact OE2-CD 3.27Å; E114-R119 WeakPolarHBondContact OE2-CD 3.42Å; E114-R119 IonicContact OE2-CZ 3.61Å; E114-R119 IonicContact OE2-NE 3.26Å; E114-R119 IonicContact OE2-NH1 2.8Å; E114-R119 PolarHBondContact OE2-NH1 3.43Å; K117-R119 HydrophobicContact CB-CG 4.18Å; K117-R119 PolarHBondContact O-N 3.08Å
120Q70.3Confident78.4Confident54 Ų5484.9 Ų84.925%0.25244%0.443SS..SBendtrans-114.1133.3179.3-67-169.8-13.300110.8G118 R125G118-Q120 VanDerWaalsContact C-N 3.26Å; G118-Q120 PolarHBondContact O-N 3.39Å; Q120-R125 HydrophobicContact CB-CG 3.72Å; Q120-R125 WeakPolarHBondContact O-CD 3.39Å
121N77.6Confident78.5Confident98 Ų9886.3 Ų86.352%0.52445%0.45SS..  trans-65.4159.617068.652.9000110.4S123 S124 R125N121-S123 PolarHBondContact O-N 3.21Å; N121-S123 WeakPolarHBondContact OD1-CB 3.37Å; N121-S123 PolarHBondContact OD1-N 3.27Å; N121-S123 VanDerWaalsContact OD1-N 3.14Å; N121-S124 PolarHBondContact ND2-OG 2.9Å; N121-S124 PolarHBondContact O-N 2.95Å; N121-S124 WeakPolarHBondContact OD1-CB 3.29Å; N121-S124 PolarHBondContact OD1-N 3Å; N121-S124 PolarHBondContact OD1-OG 3.44Å; N121-S124 VanDerWaalsContact OD1-OG 3.06Å; N121-R125 VanDerWaalsContact O-CG 3.26Å; N121-R125 WeakPolarHBondContact O-CG 3.46Å; N121-R125 PolarHBondContact O-N 3.41Å
122V77.1Confident78.7Confident113 Ų11386.6 Ų86.669%0.68545%0.447SS*.Hα-helixtrans-58-34.3-175.2-179.30000112.4R125 L126V122-R125 WeakPolarHBondContact O-CB 3.23Å; V122-R125 PolarHBondContact O-N 3.28Å; V122-L126 PolarHBondContact O-N 3.07Å
123S79.7Confident78.9Confident80 Ų8090.4 Ų90.456%0.55946%0.456SS*.Hα-helixtrans-66.1-50.8177.8-163.80000111.8N121 R125 L126 E127N121-S123 PolarHBondContact O-N 3.21Å; N121-S123 WeakPolarHBondContact OD1-CB 3.37Å; N121-S123 PolarHBondContact OD1-N 3.27Å; N121-S123 VanDerWaalsContact OD1-N 3.14Å; S123-R125 PolarHBondContact O-N 3.14Å; S123-L126 WeakPolarHBondContact O-CB 3.26Å; S123-L126 PolarHBondContact O-N 3.43Å; S123-L126 VanDerWaalsContact O-N 3.08Å; S123-E127 PolarHBondContact O-N 3.44Å
124S78Confident79Confident49 Ų4990.2 Ų90.234%0.34346%0.458SS..Hα-helixtrans-61-32.7176.7-58.20000112.2N121 S128N121-S124 PolarHBondContact ND2-OG 2.9Å; N121-S124 PolarHBondContact O-N 2.95Å; N121-S124 WeakPolarHBondContact OD1-CB 3.29Å; N121-S124 PolarHBondContact OD1-N 3Å; N121-S124 PolarHBondContact OD1-OG 3.44Å; N121-S124 VanDerWaalsContact OD1-OG 3.06Å; S124-S128 WeakPolarHBondContact O-CB 3.09Å; S124-S128 PolarHBondContact O-N 3.28Å; S124-S128 PolarHBondContact O-OG 3.35Å
125R72.5Confident79.1Confident87 Ų8790.4 Ų90.433%0.32846%0.46SS..Hα-helixtrans-64.8-45.4173.9-72.1175.371.5-170.61.2111.4F115 Q120 N121 V122 S123 L129F115-R125 HydrophobicContact CD2-CB 3.93Å; F115-R125 HydrophobicContact CD2-CG 3.48Å; F115-R125 VanDerWaalsContact CD2-CG 3.48Å; F115-R125 HydrophobicContact CE2-CB 3.57Å; F115-R125 HydrophobicContact CE2-CG 3.55Å; F115-R125 HydrophobicContact CG-CG 4.46Å; F115-R125 VanDerWaalsContact CZ-CZ 3.44Å; Q120-R125 HydrophobicContact CB-CG 3.72Å; Q120-R125 WeakPolarHBondContact O-CD 3.39Å; N121-R125 VanDerWaalsContact O-CG 3.26Å; N121-R125 WeakPolarHBondContact O-CG 3.46Å; N121-R125 PolarHBondContact O-N 3.41Å; V122-R125 WeakPolarHBondContact O-CB 3.23Å; V122-R125 PolarHBondContact O-N 3.28Å; S123-R125 PolarHBondContact O-N 3.14Å; R125-L129 VanDerWaalsContact O-CG 3.3Å; R125-L129 WeakPolarHBondContact O-CG 3.4Å; R125-L129 PolarHBondContact O-N 2.99Å; R125-L129 VanDerWaalsContact O-N 3.07Å
126L80.4Confident79.5Confident91 Ų9190.2 Ų90.248%0.47647%0.468SS..Hα-helixtrans-64.6-45.4178.7-178.361.2000111.4V122 S123 L129 K130V122-L126 PolarHBondContact O-N 3.07Å; S123-L126 WeakPolarHBondContact O-CB 3.26Å; S123-L126 PolarHBondContact O-N 3.43Å; S123-L126 VanDerWaalsContact O-N 3.08Å; L126-L129 PolarHBondContact O-N 2.92Å; L126-K130 WeakPolarHBondContact O-CG 3.5Å; L126-K130 PolarHBondContact O-N 3.21Å
127E82.3Confident79.7Confident86 Ų8689.3 Ų89.340%0.40246%0.459SS..Hα-helixtrans-64.1-42.8178.6-68.1-49124.900112.1S123 L129 K130 L131S123-E127 PolarHBondContact O-N 3.44Å; E127-L129 VanDerWaalsContact C-N 3.29Å; E127-L129 PolarHBondContact O-N 2.68Å; E127-K130 PolarHBondContact O-N 3.44Å; E127-K130 VanDerWaalsContact O-N 3.16Å; E127-K130 IonicContact OE1-NZ 2.79Å; E127-K130 PolarHBondContact OE1-NZ 3.33Å; E127-K130 IonicContact OE2-NZ 3.49Å; E127-L131 WeakPolarHBondContact O-CG 3.46Å; E127-L131 PolarHBondContact O-N 3.09Å
128S76.4Confident79.5Confident34 Ų3486.8 Ų86.824%0.23845%0.454CS..Hα-helixtrans-58-42.8173.6-600000111.3S124 L131 L132S124-S128 WeakPolarHBondContact O-CB 3.09Å; S124-S128 PolarHBondContact O-N 3.28Å; S124-S128 PolarHBondContact O-OG 3.35Å; S128-L131 PolarHBondContact O-N 3.31Å; S128-L132 WeakPolarHBondContact O-CB 3.48Å; S128-L132 WeakPolarHBondContact O-CG 3.44Å; S128-L132 PolarHBondContact O-N 3.42Å
129L78.7Confident79.5Confident76 Ų7685.8 Ų85.840%0.39843%0.432SS..Hα-helixtrans-67.6-35.3177.6-72.5171.4000113.2F115 R125 L126 E127 L132 R133F115-L129 HydrophobicContact CE2-CD1 4.38Å; R125-L129 VanDerWaalsContact O-CG 3.3Å; R125-L129 WeakPolarHBondContact O-CG 3.4Å; R125-L129 PolarHBondContact O-N 2.99Å; R125-L129 VanDerWaalsContact O-N 3.07Å; L126-L129 PolarHBondContact O-N 2.92Å; E127-L129 VanDerWaalsContact C-N 3.29Å; E127-L129 PolarHBondContact O-N 2.68Å; L129-L132 HydrophobicContact CD2-CD1 4.35Å; L129-R133 WeakPolarHBondContact O-CB 3.17Å; L129-R133 PolarHBondContact O-N 3.35Å
130K85.9Confident79.8Confident100 Ų10086.4 Ų86.444%0.43544%0.435SS..Hα-helixtrans-63.9-46.3173.9-73.6174.8-178.9169.80111L126 E127 R133 S134L126-K130 WeakPolarHBondContact O-CG 3.5Å; L126-K130 PolarHBondContact O-N 3.21Å; E127-K130 PolarHBondContact O-N 3.44Å; E127-K130 VanDerWaalsContact O-N 3.16Å; E127-K130 IonicContact OE1-NZ 2.79Å; E127-K130 PolarHBondContact OE1-NZ 3.33Å; E127-K130 IonicContact OE2-NZ 3.49Å; K130-R133 PolarHBondContact O-N 3.16Å; K130-S134 PolarHBondContact O-N 2.88Å
131L84.4Confident80.2Confident124 Ų12487.1 Ų87.165%0.64945%0.45SS*.Hα-helixtrans-60.1-47176.3-71.1171.3000111.4E127 S128 R133 S134 L135E127-L131 WeakPolarHBondContact O-CG 3.46Å; E127-L131 PolarHBondContact O-N 3.09Å; S128-L131 PolarHBondContact O-N 3.31Å; L131-R133 VanDerWaalsContact C-N 3.31Å; L131-R133 PolarHBondContact O-N 2.63Å; L131-S134 WeakPolarHBondContact O-CB 3.49Å; L131-S134 PolarHBondContact O-N 3.41Å; L131-L135 WeakPolarHBondContact O-CB 3.43Å; L131-L135 PolarHBondContact O-N 3.32Å
132L81.5Confident79.8Confident41 Ų4188.4 Ų88.422%0.21545%0.451CS..Hα-helixtrans-58.6-42176.1-71.7173.9000112.5I108 S128 L129 L135 A136I108-L132 HydrophobicContact CB-CD2 4.05Å; I108-L132 HydrophobicContact CD1-CD2 3.68Å; I108-L132 HydrophobicContact CG1-CD2 3.36Å; I108-L132 HydrophobicContact CG2-CD1 4.48Å; I108-L132 HydrophobicContact CG2-CD2 3.78Å; S128-L132 WeakPolarHBondContact O-CB 3.48Å; S128-L132 WeakPolarHBondContact O-CG 3.44Å; S128-L132 PolarHBondContact O-N 3.42Å; L129-L132 HydrophobicContact CD2-CD1 4.35Å; L132-L135 PolarHBondContact O-N 2.7Å; L132-A136 WeakPolarHBondContact O-CB 3.31Å; L132-A136 PolarHBondContact O-N 3.14Å
133R83.3Confident79.4Confident156 Ų15687.6 Ų87.659%0.58944%0.443SS*.Hα-helixtrans-65.6-42.7177.3-174.9-175.8-63155.60.5111.6L129 K130 L131 A136 R137L129-R133 WeakPolarHBondContact O-CB 3.17Å; L129-R133 PolarHBondContact O-N 3.35Å; K130-R133 PolarHBondContact O-N 3.16Å; L131-R133 VanDerWaalsContact C-N 3.31Å; L131-R133 PolarHBondContact O-N 2.63Å; R133-A136 PolarHBondContact O-N 3.14Å; R133-R137 WeakPolarHBondContact O-CG 3.25Å; R133-R137 PolarHBondContact O-N 2.89Å; R133-R137 VanDerWaalsContact O-N 3.13Å
134S85.8Confident78.4Confident66 Ų6688.4 Ų88.446%0.46245%0.445SS..Hα-helixtrans-60.4-49.8176.2-171.60000110.6K130 L131 A136 R137 T138K130-S134 PolarHBondContact O-N 2.88Å; L131-S134 WeakPolarHBondContact O-CB 3.49Å; L131-S134 PolarHBondContact O-N 3.41Å; S134-A136 VanDerWaalsContact C-N 3.33Å; S134-A136 PolarHBondContact O-N 3.41Å; S134-R137 WeakPolarHBondContact O-CB 3.33Å; S134-R137 PolarHBondContact O-N 2.93Å; S134-T138 PolarHBondContact O-N 3.27Å; S134-T138 PolarHBondContact O-OG1 3.22Å
135L81.5Confident77.1Confident58 Ų5891.6 Ų91.630%0.30447%0.465SS..Hα-helixtrans-60.3-41.1179.3-17164.2000112.5I104 L131 L132 R137 T138 F139I104-L135 HydrophobicContact CD1-CD1 4.46Å; I104-L135 HydrophobicContact CD1-CD2 4.43Å; I104-L135 HydrophobicContact CG2-CD2 3.49Å; I104-L135 VanDerWaalsContact CG2-CD2 3.49Å; I104-L135 HydrophobicContact CG2-CG 4.46Å; L131-L135 WeakPolarHBondContact O-CB 3.43Å; L131-L135 PolarHBondContact O-N 3.32Å; L132-L135 PolarHBondContact O-N 2.7Å; L135-R137 VanDerWaalsContact C-N 3.33Å; L135-R137 PolarHBondContact O-N 3.06Å; L135-T138 WeakPolarHBondContact O-CB 3.38Å; L135-T138 PolarHBondContact O-N 2.92Å; L135-F139 HydrophobicContact CD1-CD2 4.28Å; L135-F139 HydrophobicContact CD1-CE2 3.62Å; L135-F139 HydrophobicContact CD1-CZ 4.25Å; L135-F139 HydrophobicContact CD2-CE2 4.12Å; L135-F139 HydrophobicContact CG-CD2 3.96Å; L135-F139 HydrophobicContact CG-CE2 3.55Å; L135-F139 WeakPolarHBondContact O-CD2 3.49Å; L135-F139 PolarHBondContact O-N 2.95Å
136A80.4Confident75.7Confident46 Ų4697.1 Ų97.138%0.3851%0.514SS..Hα-helixtrans-64.1-35.2175.500000113L132 R133 S134 R140L132-A136 WeakPolarHBondContact O-CB 3.31Å; L132-A136 PolarHBondContact O-N 3.14Å; R133-A136 PolarHBondContact O-N 3.14Å; S134-A136 VanDerWaalsContact C-N 3.33Å; S134-A136 PolarHBondContact O-N 3.41Å; A136-R140 WeakPolarHBondContact O-CG 3.39Å; A136-R140 PolarHBondContact O-N 3.44Å; A136-R140 VanDerWaalsContact O-N 3.14Å
137R83.4Confident75.5Confident166 Ų16697.4 Ų97.463%0.62652%0.516SS*.Hα-helixtrans-66.4-44.5173.5-70.5175.4-172.5166.4-1110.9R133 S134 L135 F139 R140 A141R133-R137 WeakPolarHBondContact O-CG 3.25Å; R133-R137 PolarHBondContact O-N 2.89Å; R133-R137 VanDerWaalsContact O-N 3.13Å; S134-R137 WeakPolarHBondContact O-CB 3.33Å; S134-R137 PolarHBondContact O-N 2.93Å; L135-R137 VanDerWaalsContact C-N 3.33Å; L135-R137 PolarHBondContact O-N 3.06Å; R137-F139 VanDerWaalsContact C-N 3.33Å; R137-F139 PolarHBondContact O-N 2.95Å; R137-R140 PolarHBondContact O-N 3.3Å; R137-A141 PolarHBondContact O-N 3.41Å
138T80.4Confident75.1Confident64 Ų6498 Ų9839%0.39352%0.522SS..Hα-helixtrans-57.8-46.2176.5-580000111.1S134 L135 R140 A141 F142S134-T138 PolarHBondContact O-N 3.27Å; S134-T138 PolarHBondContact O-OG1 3.22Å; L135-T138 WeakPolarHBondContact O-CB 3.38Å; L135-T138 PolarHBondContact O-N 2.92Å; T138-R140 PolarHBondContact O-N 3.46Å; T138-A141 WeakPolarHBondContact O-CB 3.49Å; T138-A141 PolarHBondContact O-N 2.92Å; T138-F142 HydrophobicContact CG2-CD2 4.09Å; T138-F142 HydrophobicContact CG2-CE2 3.56Å; T138-F142 WeakPolarHBondContact O-CD2 3.24Å; T138-F142 PolarHBondContact O-N 3.15Å
139F76.5Confident75Confident38 Ų38101.6 Ų101.617%0.16754%0.538CS..Hα-helixtrans-62.3-40.2176.4-79.6-56.8000114R101 I104 L135 R137 A141 F142 D143R101-F139 HydrophobicContact CG-CD1 4.46Å; R101-F139 HydrophobicContact CG-CE1 4.23Å; I104-F139 HydrophobicContact CD1-CE2 3.69Å; I104-F139 HydrophobicContact CD1-CZ 3.31Å; I104-F139 HydrophobicContact CG2-CE2 4Å; L135-F139 HydrophobicContact CD1-CD2 4.28Å; L135-F139 HydrophobicContact CD1-CE2 3.62Å; L135-F139 HydrophobicContact CD1-CZ 4.25Å; L135-F139 HydrophobicContact CD2-CE2 4.12Å; L135-F139 HydrophobicContact CG-CD2 3.96Å; L135-F139 HydrophobicContact CG-CE2 3.55Å; L135-F139 WeakPolarHBondContact O-CD2 3.49Å; L135-F139 PolarHBondContact O-N 2.95Å; R137-F139 VanDerWaalsContact C-N 3.33Å; R137-F139 PolarHBondContact O-N 2.95Å; F139-A141 VanDerWaalsContact C-N 3.3Å; F139-A141 PolarHBondContact O-N 3.12Å; F139-F142 PolarHBondContact O-N 3.37Å; F139-F142 VanDerWaalsContact O-N 3.16Å; F139-D143 PolarHBondContact O-N 2.76Å; F139-D143 VanDerWaalsContact O-N 3.14Å
140R79.8Confident74.8Confident187 Ų187103.1 Ų103.171%0.70655%0.546SS*.Hα-helixtrans-63.4-37.3175.5-73178.2-172.8-1701.4112.4A136 R137 T138 F142 D143 T144A136-R140 WeakPolarHBondContact O-CG 3.39Å; A136-R140 PolarHBondContact O-N 3.44Å; A136-R140 VanDerWaalsContact O-N 3.14Å; R137-R140 PolarHBondContact O-N 3.3Å; T138-R140 PolarHBondContact O-N 3.46Å; R140-F142 PolarHBondContact O-N 3Å; R140-D143 PolarHBondContact O-N 3.3Å; R140-D143 VanDerWaalsContact O-N 3.14Å; R140-T144 PolarHBondContact O-N 3.48Å; R140-T144 PolarHBondContact O-OG1 3.47Å
141A77.9Confident74.1Confident70 Ų70103.3 Ų103.358%0.57955%0.553SS**Hα-helixtrans-61.1-34.5175.900000111.6R137 T138 F139R137-A141 PolarHBondContact O-N 3.41Å; T138-A141 WeakPolarHBondContact O-CB 3.49Å; T138-A141 PolarHBondContact O-N 2.92Å; F139-A141 VanDerWaalsContact C-N 3.3Å; F139-A141 PolarHBondContact O-N 3.12Å
142F70.5Confident73.4Confident125 Ų125101.9 Ų101.955%0.54855%0.546SS..Hα-helixtrans-76.3-24.3174.8-70.7-66.3000114.4F97 T138 F139 R140 T144F97-F142 HydrophobicContact CE1-CD1 4.34Å; F97-F142 HydrophobicContact CE1-CG 4.35Å; F97-F142 HydrophobicContact CZ-CD1 4.3Å; F97-F142 HydrophobicContact CZ-CE1 4.47Å; T138-F142 HydrophobicContact CG2-CD2 4.09Å; T138-F142 HydrophobicContact CG2-CE2 3.56Å; T138-F142 WeakPolarHBondContact O-CD2 3.24Å; T138-F142 PolarHBondContact O-N 3.15Å; F139-F142 PolarHBondContact O-N 3.37Å; F139-F142 VanDerWaalsContact O-N 3.16Å; R140-F142 PolarHBondContact O-N 3Å; F142-T144 VanDerWaalsContact C-N 3.34Å
143D67.3Low72.9Confident95 Ų95106.2 Ų106.251%0.50857%0.57SS.*Hα-helixtrans-84.9-5.3178-76.1-37.3000113.5R101 F139 R140 P145R101-D143 IonicContact CZ-OD1 3.58Å; R101-D143 IonicContact NH1-OD1 3.93Å; R101-D143 IonicContact NH2-OD1 2.63Å; R101-D143 PolarHBondContact NH2-OD1 3.32Å; R101-D143 IonicContact NH2-OD2 3.7Å; F139-D143 PolarHBondContact O-N 2.76Å; F139-D143 VanDerWaalsContact O-N 3.14Å; R140-D143 PolarHBondContact O-N 3.3Å; R140-D143 VanDerWaalsContact O-N 3.14Å; D143-P145 VanDerWaalsContact O-CD 3.25Å; D143-P145 WeakPolarHBondContact O-CD 3.48Å
144T60.1Low72.1Confident98 Ų98102.4 Ų102.460%0.60157%0.569SS**SBendtrans-89.1108.7178-31.60000108.4R140 F142 C146R140-T144 PolarHBondContact O-N 3.48Å; R140-T144 PolarHBondContact O-OG1 3.47Å; F142-T144 VanDerWaalsContact C-N 3.34Å; T144-C146 PolarHBondContact O-N 3.47Å
145P51.2Low70.9Confident116 Ų116105.4 Ų105.475%0.75358%0.577SS**  trans-64.9127173.527.1-30.9000108.2D143D143-P145 VanDerWaalsContact O-CD 3.25Å; D143-P145 WeakPolarHBondContact O-CD 3.48Å
146C42.1Very low70Confident202 Ų202109.7 Ų109.7100%1.36560%0.602SS**  trans-61.50163.9-67.60000110.2T144T144-C146 PolarHBondContact O-N 3.47Å

Retrieved 146 of 146 residues in 225.3 ms (Link to these results)