A0A077Z1L0_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z1L0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 99 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
1M42.9Very low42.8Very low120 Ų12061.9 Ų61.959%0.59133%0.326SS*.  0118.90-87.4176.6-73.600107.3D5 R95M1-D5 VanDerWaalsContact CA-OD2 3.27Å; M1-D5 WeakPolarHBondContact CA-OD2 3.31Å; M1-D5 HydrophobicContact CB-CB 4.19Å; M1-D5 HydrophobicContact CG-CB 3.96Å; M1-R95 HydrophobicContact CE-CG 4.2Å
2T40.3Very low43.4Very low91 Ų9157.1 Ų57.156%0.55830%0.301SS*.  trans-81.6163.4172.158.40000109.1R4 D5T2-R4 PolarHBondContact O-N 2.87Å; T2-D5 PolarHBondContact N-OD2 3.18Å; T2-D5 PolarHBondContact O-N 2.98Å
3S40.1Very low44.1Very low106 Ų10652.8 Ų52.874%0.74128%0.278SS*.Hα-helixtrans-49.3-25.5175.149.30000113.7C6 A7S3-C6 WeakPolarHBondContact O-CB 3.1Å; S3-C6 PolarHBondContact O-N 3.43Å; S3-A7 PolarHBondContact O-N 3.49Å
4R35.3Very low44.7Very low193 Ų19350.9 Ų50.973%0.72827%0.266SS*.Hα-helixtrans-67.7-44.2175.8-171174.8-178.8168.20.4113.6T2 C6 A7 V8T2-R4 PolarHBondContact O-N 2.87Å; R4-C6 PolarHBondContact O-N 3.33Å; R4-A7 PolarHBondContact O-N 3.45Å; R4-V8 WeakPolarHBondContact O-CG2 3.3Å; R4-V8 PolarHBondContact O-N 2.93Å
5D37.5Very low44.9Very low53 Ų5349.1 Ų49.128%0.28326%0.258SS..Hα-helixtrans-60.9-31.6178-69.5-44.9000111.4M1 T2 R9M1-D5 VanDerWaalsContact CA-OD2 3.27Å; M1-D5 WeakPolarHBondContact CA-OD2 3.31Å; M1-D5 HydrophobicContact CB-CB 4.19Å; M1-D5 HydrophobicContact CG-CB 3.96Å; T2-D5 PolarHBondContact N-OD2 3.18Å; T2-D5 PolarHBondContact O-N 2.98Å; D5-R9 WeakPolarHBondContact O-CB 3.49Å; D5-R9 VanDerWaalsContact O-CD 3.23Å; D5-R9 WeakPolarHBondContact O-CD 3.5Å; D5-R9 WeakPolarHBondContact O-CG 3.35Å; D5-R9 PolarHBondContact O-N 3.16Å
6C41.2Very low45.1Very low27 Ų2746.3 Ų46.318%0.18224%0.243CC..Hα-helixtrans-69.5-50.4178.8-59.90000112.1S3 R4 V8 R9 A10 Y87S3-C6 WeakPolarHBondContact O-CB 3.1Å; S3-C6 PolarHBondContact O-N 3.43Å; R4-C6 PolarHBondContact O-N 3.33Å; C6-V8 PolarHBondContact O-N 3.46Å; C6-R9 PolarHBondContact O-N 3.25Å; C6-A10 PolarHBondContact O-N 3.22Å; C6-Y87 VanDerWaalsContact CA-OH 3.25Å; C6-Y87 WeakPolarHBondContact CA-OH 3.05Å; C6-Y87 HydrophobicContact CB-CD1 4.2Å; C6-Y87 HydrophobicContact CB-CE1 3.37Å; C6-Y87 HydrophobicContact CB-CE2 3.94Å; C6-Y87 WeakPolarHBondContact CB-OH 3.07Å; C6-Y87 VanDerWaalsContact O-CD2 3.22Å; C6-Y87 WeakPolarHBondContact O-CD2 3.36Å; C6-Y87 WeakPolarHBondContact O-CE2 3.47Å; C6-Y87 PolarHBondContact SG-OH 3.46Å
7A41.9Very low45.2Very low23 Ų2343.6 Ų43.619%0.1923%0.229CC..Hα-helixtrans-61.5-43.5-179.600000111.9S3 R4 R9 A10 A11 L73S3-A7 PolarHBondContact O-N 3.49Å; R4-A7 PolarHBondContact O-N 3.45Å; A7-R9 VanDerWaalsContact C-N 3.33Å; A7-R9 PolarHBondContact O-N 2.77Å; A7-A10 PolarHBondContact O-N 2.85Å; A7-A11 WeakPolarHBondContact O-CB 3.44Å; A7-A11 PolarHBondContact O-N 2.72Å; A7-L73 HydrophobicContact CB-CD1 3.97Å; A7-L73 HydrophobicContact CB-CD2 4.03Å
8V43.5Very low45.3Very low24 Ų2442.7 Ų42.715%0.14523%0.225CC..Hα-helixtrans-59.3-44.6176.6168.30000111.3R4 C6 A11 F12 L66 A69 L73R4-V8 WeakPolarHBondContact O-CG2 3.3Å; R4-V8 PolarHBondContact O-N 2.93Å; C6-V8 PolarHBondContact O-N 3.46Å; V8-A11 PolarHBondContact O-N 3.44Å; V8-F12 WeakPolarHBondContact O-CB 3.42Å; V8-F12 PolarHBondContact O-N 3.37Å; V8-L66 HydrophobicContact CG1-CD2 3.29Å; V8-A69 HydrophobicContact CB-CB 4.29Å; V8-A69 HydrophobicContact CG1-CB 3.72Å; V8-A69 WeakPolarHBondContact O-CB 3.44Å; V8-L73 HydrophobicContact CG2-CD1 4.46Å
9R51Low45Very low43 Ų4344.5 Ų44.516%0.16225%0.246CC..Hα-helixtrans-65-40.1178.1-75.7170-167.7-125.4-0.2112.6D5 C6 A7 L13 Y87 I94 L98D5-R9 WeakPolarHBondContact O-CB 3.49Å; D5-R9 VanDerWaalsContact O-CD 3.23Å; D5-R9 WeakPolarHBondContact O-CD 3.5Å; D5-R9 WeakPolarHBondContact O-CG 3.35Å; D5-R9 PolarHBondContact O-N 3.16Å; C6-R9 PolarHBondContact O-N 3.25Å; A7-R9 VanDerWaalsContact C-N 3.33Å; A7-R9 PolarHBondContact O-N 2.77Å; R9-L13 PolarHBondContact O-N 2.95Å; R9-Y87 HydrophobicContact CB-CE2 3.94Å; R9-I94 HydrophobicContact CB-CD1 4Å; R9-I94 HydrophobicContact CB-CG2 3.91Å; R9-I94 HydrophobicContact CG-CG2 3.71Å; R9-L98 HydrophobicContact CG-CD1 4.33Å; R9-L98 VanDerWaalsContact NH1-CD1 3.25Å
10A49.4Very low44.9Very low1 Ų145 Ų451%0.00825%0.246CC..Hα-helixtrans-65.9-44.2177.500000111.9C6 A7 L13 F14 I83 Y87C6-A10 PolarHBondContact O-N 3.22Å; A7-A10 PolarHBondContact O-N 2.85Å; A10-L13 PolarHBondContact O-N 3.33Å; A10-F14 WeakPolarHBondContact O-CB 3.49Å; A10-F14 PolarHBondContact O-N 3Å; A10-I83 HydrophobicContact CB-CG2 3.24Å; A10-Y87 HydrophobicContact CB-CD2 3.54Å; A10-Y87 HydrophobicContact CB-CG 3.83Å
11A47.5Very low44.8Very low0 Ų044.2 Ų44.20%024%0.241CC..Hα-helixtrans-66.1-39.9177.700000111.6A7 V8 L13 F14 V15 A69 V72 L73A7-A11 WeakPolarHBondContact O-CB 3.44Å; A7-A11 PolarHBondContact O-N 2.72Å; V8-A11 PolarHBondContact O-N 3.44Å; A11-L13 PolarHBondContact O-N 3.45Å; A11-F14 CarbonylContact O-C 3.41Å; A11-F14 WeakPolarHBondContact O-CB 3.28Å; A11-F14 PolarHBondContact O-N 3.23Å; A11-F14 VanDerWaalsContact O-N 3.09Å; A11-V15 WeakPolarHBondContact O-CG2 3.43Å; A11-V15 PolarHBondContact O-N 3.14Å; A11-A69 HydrophobicContact CB-CB 4Å; A11-A69 WeakPolarHBondContact CB-O 3.29Å; A11-V72 HydrophobicContact CB-CB 4.34Å; A11-V72 HydrophobicContact CB-CG1 3.9Å; A11-L73 HydrophobicContact CB-CB 4.48Å; A11-L73 HydrophobicContact CB-CD1 4.39Å; A11-L73 HydrophobicContact CB-CD2 3.68Å; A11-L73 HydrophobicContact CB-CG 3.49Å; A11-L73 VanDerWaalsContact CB-CG 3.49Å
12F50.4Low44.9Very low4 Ų448 Ų482%0.01825%0.254CS..Hα-helixtrans-55.5-47.6174-176.2-102.2000112.9V8 F14 V15 Q16 L56 Y59 I65 T68 A69V8-F12 WeakPolarHBondContact O-CB 3.42Å; V8-F12 PolarHBondContact O-N 3.37Å; F12-F14 VanDerWaalsContact C-N 3.32Å; F12-F14 PolarHBondContact O-N 2.91Å; F12-V15 PolarHBondContact O-N 3.2Å; F12-Q16 PolarHBondContact O-N 2.95Å; F12-L56 HydrophobicContact CD1-CD2 4.44Å; F12-L56 HydrophobicContact CE1-CD2 3.63Å; F12-Y59 HydrophobicContact CE2-CD1 4.1Å; F12-Y59 HydrophobicContact CE2-CD2 4.34Å; F12-Y59 AromaticContact CE2-CE1 3.97Å; F12-Y59 HydrophobicContact CE2-CE1 3.97Å; F12-Y59 HydrophobicContact CE2-CE2 4.29Å; F12-Y59 HydrophobicContact CE2-CG 4.26Å; F12-Y59 HydrophobicContact CZ-CD1 4.3Å; F12-Y59 AromaticContact CZ-CD2 3.77Å; F12-Y59 HydrophobicContact CZ-CD2 3.77Å; F12-Y59 HydrophobicContact CZ-CE1 4.35Å; F12-Y59 AromaticContact CZ-CE2 3.91Å; F12-Y59 HydrophobicContact CZ-CE2 3.91Å; F12-Y59 AromaticContact CZ-CG 3.99Å; F12-Y59 HydrophobicContact CZ-CG 3.99Å; F12-I65 HydrophobicContact CB-CG2 4.28Å; F12-I65 HydrophobicContact CD1-CG2 4.23Å; F12-I65 HydrophobicContact CD2-CB 3.9Å; F12-I65 HydrophobicContact CD2-CG1 4.3Å; F12-I65 HydrophobicContact CD2-CG2 3.31Å; F12-I65 HydrophobicContact CE1-CG2 4.41Å; F12-I65 HydrophobicContact CE2-CB 3.73Å; F12-I65 HydrophobicContact CE2-CG1 3.62Å; F12-I65 HydrophobicContact CE2-CG2 3.53Å; F12-I65 HydrophobicContact CG-CG2 3.67Å; F12-I65 HydrophobicContact CZ-CB 4.4Å; F12-I65 HydrophobicContact CZ-CD1 4.4Å; F12-I65 HydrophobicContact CZ-CG1 3.93Å; F12-I65 HydrophobicContact CZ-CG2 4.05Å; F12-T68 HydrophobicContact CD2-CG2 4.5Å; F12-A69 HydrophobicContact CB-CB 4.24Å
13L51.8Low44.9Very low2 Ų249.4 Ų49.41%0.0125%0.254CS..Hα-helixtrans-61.7-41.2174.5-67.4-176000112.2R9 A10 A11 Q16 V17 F52 F86 I94R9-L13 PolarHBondContact O-N 2.95Å; A10-L13 PolarHBondContact O-N 3.33Å; A11-L13 PolarHBondContact O-N 3.45Å; L13-Q16 PolarHBondContact O-N 3.29Å; L13-V17 WeakPolarHBondContact O-CB 3.43Å; L13-V17 VanDerWaalsContact O-CG2 3.32Å; L13-V17 WeakPolarHBondContact O-CG2 3.44Å; L13-V17 PolarHBondContact O-N 3.46Å; L13-V17 VanDerWaalsContact O-N 3.14Å; L13-F52 HydrophobicContact CD2-CE1 4.27Å; L13-F52 HydrophobicContact CD2-CE2 3.46Å; L13-F52 VanDerWaalsContact CD2-CE2 3.46Å; L13-F52 HydrophobicContact CD2-CZ 3.13Å; L13-F86 HydrophobicContact CB-CE1 3.85Å; L13-F86 HydrophobicContact CD1-CD1 4.48Å; L13-F86 HydrophobicContact CD1-CE1 3.76Å; L13-F86 HydrophobicContact CG-CE1 4.48Å; L13-I94 HydrophobicContact CD1-CD1 3.28Å; L13-I94 HydrophobicContact CD1-CG1 3.68Å; L13-I94 HydrophobicContact CD2-CG1 4.24Å; L13-I94 HydrophobicContact CG-CD1 3.84Å; L13-I94 HydrophobicContact CG-CG1 4.11Å
14F53.7Low44.9Very low25 Ų2549.1 Ų49.111%0.1124%0.243CC..Hα-helixtrans-66.2-38.6178.6-171-98.5000111.6A10 A11 F12 Q16 V17 L18 V72A10-F14 WeakPolarHBondContact O-CB 3.49Å; A10-F14 PolarHBondContact O-N 3Å; A11-F14 CarbonylContact O-C 3.41Å; A11-F14 WeakPolarHBondContact O-CB 3.28Å; A11-F14 PolarHBondContact O-N 3.23Å; A11-F14 VanDerWaalsContact O-N 3.09Å; F12-F14 VanDerWaalsContact C-N 3.32Å; F12-F14 PolarHBondContact O-N 2.91Å; F14-Q16 VanDerWaalsContact C-N 3.31Å; F14-Q16 PolarHBondContact O-N 2.77Å; F14-V17 WeakPolarHBondContact O-CB 3.27Å; F14-V17 PolarHBondContact O-N 3.25Å; F14-L18 HydrophobicContact CD1-CD1 3.53Å; F14-L18 HydrophobicContact CD1-CD2 4.4Å; F14-L18 HydrophobicContact CD1-CG 3.75Å; F14-L18 HydrophobicContact CE1-CD1 3.3Å; F14-L18 HydrophobicContact CE1-CD2 3.93Å; F14-L18 HydrophobicContact CE1-CG 3.69Å; F14-L18 HydrophobicContact CE2-CD2 4.49Å; F14-L18 HydrophobicContact CG-CG 4.44Å; F14-L18 HydrophobicContact CZ-CD1 4.15Å; F14-L18 HydrophobicContact CZ-CD2 3.95Å; F14-L18 HydrophobicContact CZ-CG 4.19Å; F14-L18 WeakPolarHBondContact O-CB 3.33Å; F14-L18 VanDerWaalsContact O-CG 3.26Å; F14-L18 WeakPolarHBondContact O-CG 3.47Å; F14-L18 PolarHBondContact O-N 2.99Å; F14-V72 HydrophobicContact CB-CG1 4.13Å; F14-V72 HydrophobicContact CD1-CG1 3.38Å; F14-V72 HydrophobicContact CE1-CG1 4.18Å; F14-V72 HydrophobicContact CG-CG1 4.2Å
15V47.1Very low45.3Very low24 Ų2443.5 Ų43.515%0.14523%0.233CC..Hα-helixtrans-63.4-40178-167.30000111.3A11 F12 L18 A19 T68 V72A11-V15 WeakPolarHBondContact O-CG2 3.43Å; A11-V15 PolarHBondContact O-N 3.14Å; F12-V15 PolarHBondContact O-N 3.2Å; V15-L18 PolarHBondContact O-N 3.3Å; V15-A19 WeakPolarHBondContact O-CB 3.39Å; V15-A19 PolarHBondContact O-N 3.26Å; V15-T68 HydrophobicContact CB-CG2 3.5Å; V15-T68 HydrophobicContact CG1-CG2 3.32Å; V15-T68 HydrophobicContact CG2-CG2 3.47Å; V15-T68 VanDerWaalsContact CG2-CG2 3.47Å; V15-T68 VanDerWaalsContact CG2-O 3.29Å; V15-T68 WeakPolarHBondContact CG2-O 3.43Å; V15-V72 HydrophobicContact CB-CB 4.43Å; V15-V72 HydrophobicContact CB-CG2 3.78Å; V15-V72 HydrophobicContact CG1-CG2 3.82Å; V15-V72 HydrophobicContact CG2-CB 3.3Å; V15-V72 HydrophobicContact CG2-CG1 3.81Å; V15-V72 HydrophobicContact CG2-CG2 3.1Å
16Q48.4Very low45.5Very low4 Ų443.5 Ų43.52%0.01924%0.241CC..Hα-helixtrans-71.6-40.4-177.9-70.8-173.3-19.400111.8F12 L13 F14 A19 E20 I55 Y59F12-Q16 PolarHBondContact O-N 2.95Å; L13-Q16 PolarHBondContact O-N 3.29Å; F14-Q16 VanDerWaalsContact C-N 3.31Å; F14-Q16 PolarHBondContact O-N 2.77Å; Q16-A19 PolarHBondContact O-N 2.84Å; Q16-E20 PolarHBondContact O-N 3.09Å; Q16-I55 HydrophobicContact CG-CG2 4.15Å; Q16-Y59 VanDerWaalsContact NE2-CZ 3.34Å; Q16-Y59 PolarHBondContact NE2-OH 3.42Å
17V47.3Very low45.4Very low1 Ų142.9 Ų42.91%0.00624%0.236CC..Hα-helixtrans-53-58.9166.4159.80000109.1L13 F14 A19 E20 F21 L43 Y46L13-V17 WeakPolarHBondContact O-CB 3.43Å; L13-V17 VanDerWaalsContact O-CG2 3.32Å; L13-V17 WeakPolarHBondContact O-CG2 3.44Å; L13-V17 PolarHBondContact O-N 3.46Å; L13-V17 VanDerWaalsContact O-N 3.14Å; F14-V17 WeakPolarHBondContact O-CB 3.27Å; F14-V17 PolarHBondContact O-N 3.25Å; V17-A19 VanDerWaalsContact C-N 3.31Å; V17-A19 PolarHBondContact O-N 3.15Å; V17-E20 PolarHBondContact O-N 3.46Å; V17-F21 VanDerWaalsContact C-CD2 3.46Å; V17-F21 HydrophobicContact CB-CD2 4.43Å; V17-F21 HydrophobicContact CB-CE2 4.16Å; V17-F21 HydrophobicContact CG1-CD2 3.6Å; V17-F21 HydrophobicContact CG1-CE2 3.55Å; V17-F21 WeakPolarHBondContact O-CD2 3.49Å; V17-F21 WeakPolarHBondContact O-CE2 3.42Å; V17-F21 PolarHBondContact O-N 2.99Å; V17-L43 HydrophobicContact CB-CD2 4Å; V17-L43 HydrophobicContact CG1-CD2 3.1Å; V17-L43 HydrophobicContact CG2-CD2 3.65Å; V17-Y46 HydrophobicContact CG2-CD1 3.89Å; V17-Y46 HydrophobicContact CG2-CE1 4.24Å
18L45.8Very low45.4Very low28 Ų2847.6 Ų47.615%0.14725%0.254CS..Hα-helixtrans-58.7-38.1-178.9-68.9-173.2000113.9F14 V15 F21 I27 V72F14-L18 HydrophobicContact CD1-CD1 3.53Å; F14-L18 HydrophobicContact CD1-CD2 4.4Å; F14-L18 HydrophobicContact CD1-CG 3.75Å; F14-L18 HydrophobicContact CE1-CD1 3.3Å; F14-L18 HydrophobicContact CE1-CD2 3.93Å; F14-L18 HydrophobicContact CE1-CG 3.69Å; F14-L18 HydrophobicContact CE2-CD2 4.49Å; F14-L18 HydrophobicContact CG-CG 4.44Å; F14-L18 HydrophobicContact CZ-CD1 4.15Å; F14-L18 HydrophobicContact CZ-CD2 3.95Å; F14-L18 HydrophobicContact CZ-CG 4.19Å; F14-L18 WeakPolarHBondContact O-CB 3.33Å; F14-L18 VanDerWaalsContact O-CG 3.26Å; F14-L18 WeakPolarHBondContact O-CG 3.47Å; F14-L18 PolarHBondContact O-N 2.99Å; V15-L18 PolarHBondContact O-N 3.3Å; L18-F21 CarbonylContact O-C 3.57Å; L18-F21 PolarHBondContact O-N 2.88Å; L18-I27 HydrophobicContact CD2-CB 4.14Å; L18-I27 HydrophobicContact CD2-CD1 3.29Å; L18-I27 HydrophobicContact CD2-CG1 3.73Å; L18-I27 HydrophobicContact CD2-CG2 3.77Å; L18-V72 HydrophobicContact CD1-CG2 4.44Å
19A40.6Very low45.4Very low77 Ų7751.8 Ų51.864%0.63628%0.275SS*.Hα-helixtrans-74.4-31.4-17600000112.2V15 Q16 V17V15-A19 WeakPolarHBondContact O-CB 3.39Å; V15-A19 PolarHBondContact O-N 3.26Å; Q16-A19 PolarHBondContact O-N 2.84Å; V17-A19 VanDerWaalsContact C-N 3.31Å; V17-A19 PolarHBondContact O-N 3.15Å
20E43.3Very low45Very low53 Ų5351 Ų5125%0.24828%0.276CS..Hα-helixtrans-78.1-34.3169-79.7-163.7-174.800113.1Q16 V17 K22 Y46 E51 I55Q16-E20 PolarHBondContact O-N 3.09Å; V17-E20 PolarHBondContact O-N 3.46Å; E20-K22 VanDerWaalsContact C-N 3.28Å; E20-K22 PolarHBondContact O-N 3.12Å; E20-Y46 VanDerWaalsContact CD-CZ 3.41Å; E20-Y46 PolarHBondContact OE1-OH 2.91Å; E20-Y46 WeakPolarHBondContact OE2-CE2 3.46Å; E20-Y46 PolarHBondContact OE2-OH 3.26Å; E20-E51 WeakPolarHBondContact OE1-CG 3.16Å; E20-I55 HydrophobicContact CG-CD1 4.21Å; E20-I55 WeakPolarHBondContact OE1-CD1 3.25Å
21F41.3Very low44.5Very low29 Ų2953.6 Ų53.613%0.12729%0.29CS..  trans-70.391.1167.2-65-59.9000109V17 L18 H23 I24 I27 Y42V17-F21 VanDerWaalsContact C-CD2 3.46Å; V17-F21 HydrophobicContact CB-CD2 4.43Å; V17-F21 HydrophobicContact CB-CE2 4.16Å; V17-F21 HydrophobicContact CG1-CD2 3.6Å; V17-F21 HydrophobicContact CG1-CE2 3.55Å; V17-F21 WeakPolarHBondContact O-CD2 3.49Å; V17-F21 WeakPolarHBondContact O-CE2 3.42Å; V17-F21 PolarHBondContact O-N 2.99Å; L18-F21 CarbonylContact O-C 3.57Å; L18-F21 PolarHBondContact O-N 2.88Å; F21-H23 HydrophobicContact CB-CB 4.37Å; F21-H23 PolarHBondContact O-N 2.95Å; F21-I24 PolarHBondContact O-N 2.93Å; F21-I27 HydrophobicContact CB-CD1 3.79Å; F21-I27 HydrophobicContact CD2-CD1 4.43Å; F21-I27 HydrophobicContact CG-CD1 4.31Å; F21-Y42 HydrophobicContact CE1-CD1 4.17Å; F21-Y42 AromaticContact CE1-CE1 3.4Å; F21-Y42 HydrophobicContact CE1-CE1 3.4Å; F21-Y42 VanDerWaalsContact CE1-CE1 3.4Å; F21-Y42 HydrophobicContact CE1-CE2 4.16Å; F21-Y42 AromaticContact CE1-CZ 3.33Å; F21-Y42 VanDerWaalsContact CE1-OH 3.28Å; F21-Y42 WeakPolarHBondContact CE1-OH 3.49Å; F21-Y42 HydrophobicContact CE2-CD1 4.25Å; F21-Y42 AromaticContact CE2-CE1 3.57Å; F21-Y42 HydrophobicContact CE2-CE1 3.57Å; F21-Y42 AromaticContact CZ-CD1 3.79Å; F21-Y42 HydrophobicContact CZ-CD1 3.79Å; F21-Y42 AromaticContact CZ-CE1 2.85Å; F21-Y42 HydrophobicContact CZ-CE1 2.85Å; F21-Y42 HydrophobicContact CZ-CE2 4.34Å; F21-Y42 AromaticContact CZ-CZ 3.16Å; F21-Y42 WeakPolarHBondContact CZ-OH 3.26Å
22K44.8Very low44.2Very low201 Ų20156.5 Ų56.587%0.87432%0.32SS*.SBendtrans-514.4151.2-69.3-173.2176.7-179.10113.7E20E20-K22 VanDerWaalsContact C-N 3.28Å; E20-K22 PolarHBondContact O-N 3.12Å
23H41.6Very low43.8Very low120 Ų12062.7 Ų62.756%0.55635%0.346SS*.  trans-107.344.3173.9-57.1-65.2000112.6F21 S25 A26 I27F21-H23 HydrophobicContact CB-CB 4.37Å; F21-H23 PolarHBondContact O-N 2.95Å; H23-S25 PolarHBondContact O-N 3.37Å; H23-A26 HydrophobicContact CB-CB 3.72Å; H23-A26 WeakPolarHBondContact O-CA 3.06Å; H23-A26 WeakPolarHBondContact O-CB 3.28Å; H23-A26 PolarHBondContact O-N 3.41Å; H23-I27 PolarHBondContact O-N 3Å; H23-I27 VanDerWaalsContact O-N 3.15Å
24I40.8Very low43.4Very low100 Ų10071.1 Ų71.151%0.51339%0.386SS..Hα-helixtrans-45.1-36.9164.9-68.7173.4000110.5F21 A26 I27 Q28F21-I24 PolarHBondContact O-N 2.93Å; I24-A26 PolarHBondContact O-N 2.98Å; I24-I27 PolarHBondContact O-N 3.28Å; I24-Q28 HydrophobicContact CG2-CG 4.35Å; I24-Q28 WeakPolarHBondContact O-CG 3.35Å; I24-Q28 PolarHBondContact O-N 2.94Å
25S41.8Very low43.1Very low74 Ų7473.1 Ų73.152%0.51740%0.401SS..Hα-helixtrans-61.3-37.7173.4-48.60000114.1H23 Q28 N29H23-S25 PolarHBondContact O-N 3.37Å; S25-Q28 PolarHBondContact O-N 2.88Å; S25-N29 VanDerWaalsContact O-CB 3.27Å; S25-N29 WeakPolarHBondContact O-CB 2.99Å; S25-N29 PolarHBondContact O-N 3.14Å; S25-N29 PolarHBondContact O-ND2 3.27Å
26A41.8Very low43.2Very low54 Ų5477.4 Ų77.445%0.44642%0.423SS..Hα-helixtrans-71-34.7176.400000111.8H23 I24 N29 S30H23-A26 HydrophobicContact CB-CB 3.72Å; H23-A26 WeakPolarHBondContact O-CA 3.06Å; H23-A26 WeakPolarHBondContact O-CB 3.28Å; H23-A26 PolarHBondContact O-N 3.41Å; I24-A26 PolarHBondContact O-N 2.98Å; A26-N29 PolarHBondContact O-N 3.37Å; A26-S30 WeakPolarHBondContact O-CB 3.44Å; A26-S30 PolarHBondContact O-N 3.49Å; A26-S30 VanDerWaalsContact O-N 3.14Å; A26-S30 PolarHBondContact O-OG 3.44Å
27I40.7Very low43.2Very low14 Ų1481.2 Ų81.27%0.07245%0.45CS..Hα-helixtrans-65-50.5171-69.2129.1000109.7L18 F21 H23 I24 N29 S30 I31 Y39L18-I27 HydrophobicContact CD2-CB 4.14Å; L18-I27 HydrophobicContact CD2-CD1 3.29Å; L18-I27 HydrophobicContact CD2-CG1 3.73Å; L18-I27 HydrophobicContact CD2-CG2 3.77Å; F21-I27 HydrophobicContact CB-CD1 3.79Å; F21-I27 HydrophobicContact CD2-CD1 4.43Å; F21-I27 HydrophobicContact CG-CD1 4.31Å; H23-I27 PolarHBondContact O-N 3Å; H23-I27 VanDerWaalsContact O-N 3.15Å; I24-I27 PolarHBondContact O-N 3.28Å; I27-N29 VanDerWaalsContact C-N 3.27Å; I27-N29 PolarHBondContact O-N 3.15Å; I27-S30 WeakPolarHBondContact CA-OG 3.43Å; I27-S30 CarbonylContact O-C 3.54Å; I27-S30 PolarHBondContact O-N 3.06Å; I27-S30 PolarHBondContact O-OG 3.05Å; I27-I31 HydrophobicContact CG2-CD1 4.37Å; I27-I31 HydrophobicContact CG2-CG1 4.46Å; I27-I31 WeakPolarHBondContact O-CG1 3.27Å; I27-I31 PolarHBondContact O-N 3.1Å; I27-Y39 HydrophobicContact CG1-CE2 4.22Å
28Q41.8Very low43.2Very low122 Ų12284.1 Ų84.157%0.5748%0.475SS*.Hα-helixtrans-55.5-41.3175.3-73.7176-31.600112.6I24 S25 S30 I31I24-Q28 HydrophobicContact CG2-CG 4.35Å; I24-Q28 WeakPolarHBondContact O-CG 3.35Å; I24-Q28 PolarHBondContact O-N 2.94Å; S25-Q28 PolarHBondContact O-N 2.88Å; Q28-S30 PolarHBondContact O-N 2.95Å; Q28-I31 PolarHBondContact O-N 3.04Å
29N43.2Very low43.3Very low111 Ų11184.9 Ų84.959%0.59448%0.476SS*.THydrogen-bonded Turntrans-72.6-10.1177.3-74.6-33000114.7S25 A26 I27 K33S25-N29 VanDerWaalsContact O-CB 3.27Å; S25-N29 WeakPolarHBondContact O-CB 2.99Å; S25-N29 PolarHBondContact O-N 3.14Å; S25-N29 PolarHBondContact O-ND2 3.27Å; A26-N29 PolarHBondContact O-N 3.37Å; I27-N29 VanDerWaalsContact C-N 3.27Å; I27-N29 PolarHBondContact O-N 3.15Å; N29-K33 WeakPolarHBondContact O-CD 3.22Å; N29-K33 WeakPolarHBondContact O-CE 3.13Å; N29-K33 PolarHBondContact O-NZ 3.21Å
30S41.1Very low43.8Very low26 Ų2683.7 Ų83.718%0.18246%0.461CS..THydrogen-bonded Turntrans-109.9-10.4177.157.10000113.8A26 I27 Q28 G32 K33A26-S30 WeakPolarHBondContact O-CB 3.44Å; A26-S30 PolarHBondContact O-N 3.49Å; A26-S30 VanDerWaalsContact O-N 3.14Å; A26-S30 PolarHBondContact O-OG 3.44Å; I27-S30 WeakPolarHBondContact CA-OG 3.43Å; I27-S30 CarbonylContact O-C 3.54Å; I27-S30 PolarHBondContact O-N 3.06Å; I27-S30 PolarHBondContact O-OG 3.05Å; Q28-S30 PolarHBondContact O-N 2.95Å; S30-G32 PolarHBondContact O-N 2.88Å; S30-K33 WeakPolarHBondContact O-CB 3.05Å; S30-K33 PolarHBondContact O-N 3.37Å; S30-K33 VanDerWaalsContact O-N 3.16Å
31I40.5Very low44.1Very low57 Ų5787.1 Ų87.129%0.29248%0.478SS..THydrogen-bonded Turntrans-60.7131.6170.6-69.8167.4000109.5I27 Q28 K33 N79I27-I31 HydrophobicContact CG2-CD1 4.37Å; I27-I31 HydrophobicContact CG2-CG1 4.46Å; I27-I31 WeakPolarHBondContact O-CG1 3.27Å; I27-I31 PolarHBondContact O-N 3.1Å; Q28-I31 PolarHBondContact O-N 3.04Å; I31-K33 PolarHBondContact O-N 3.17Å; I31-N79 HydrophobicContact CD1-CB 4.2Å; I31-N79 HydrophobicContact CG2-CB 4.31Å
32G41.7Very low44.6Very low61 Ų6190.5 Ų90.563%0.62949%0.491SS*.THydrogen-bonded Turntrans81-11.1-176.800000115.1S30S30-G32 PolarHBondContact O-N 2.88Å
33K42Very low45.1Very low134 Ų13481.5 Ų81.558%0.58345%0.452SS*.SBendtrans-84.9146.1166.9-62.8176.6-176.5161.60107.9N29 S30 I31N29-K33 WeakPolarHBondContact O-CD 3.22Å; N29-K33 WeakPolarHBondContact O-CE 3.13Å; N29-K33 PolarHBondContact O-NZ 3.21Å; S30-K33 WeakPolarHBondContact O-CB 3.05Å; S30-K33 PolarHBondContact O-N 3.37Å; S30-K33 VanDerWaalsContact O-N 3.16Å; I31-K33 PolarHBondContact O-N 3.17Å
34Q43.3Very low45.5Very low179 Ų17977 Ų7784%0.83643%0.432SS*.  trans-48.6134.6166.6-73-173.67.700107.4N36Q34-N36 PolarHBondContact O-N 3.44Å
35P45.9Very low46.3Very low67 Ų6775.1 Ų75.144%0.43543%0.432SS..  trans-54.2108.2-176.621.7-32.3000107.6S37 V40 L82P35-S37 PolarHBondContact O-N 3.21Å; P35-V40 HydrophobicContact CB-CG2 3.63Å; P35-V40 HydrophobicContact CG-CG2 4.35Å; P35-L82 HydrophobicContact CB-CD2 4.12Å; P35-L82 HydrophobicContact CG-CD2 4.37Å
36N48.8Very low47.1Very low113 Ų11372 Ų7260%0.60441%0.409SS*.  trans-57130.3-173.2-129.5-12.7000106.1Q34 A38 Y39 V40Q34-N36 PolarHBondContact O-N 3.44Å; N36-A38 CarbonylContact O-C 3.3Å; N36-A38 PolarHBondContact O-N 2.96Å; N36-Y39 WeakPolarHBondContact O-CB 3.26Å; N36-Y39 PolarHBondContact O-N 3.25Å; N36-V40 PolarHBondContact O-N 2.76Å
37S49.7Very low47.9Very low84 Ų8469.9 Ų69.959%0.58739%0.39SS*.Hα-helixtrans-48.3-38.4-17354.70000111.6P35 Y39 V40 M41P35-S37 PolarHBondContact O-N 3.21Å; S37-Y39 PolarHBondContact O-N 2.9Å; S37-V40 PolarHBondContact O-N 3.21Å; S37-M41 VanDerWaalsContact O-CB 3.31Å; S37-M41 WeakPolarHBondContact O-CB 3.25Å; S37-M41 WeakPolarHBondContact O-CG 3.39Å; S37-M41 PolarHBondContact O-N 2.84Å
38A45.9Very low48.9Very low63 Ų6374.7 Ų74.752%0.52141%0.412SS..Hα-helixtrans-58.2-42.7173.600000114.6N36 M41 Y42N36-A38 CarbonylContact O-C 3.3Å; N36-A38 PolarHBondContact O-N 2.96Å; A38-M41 PolarHBondContact O-N 3.13Å; A38-Y42 VanDerWaalsContact O-CB 3.28Å; A38-Y42 WeakPolarHBondContact O-CB 3.49Å; A38-Y42 PolarHBondContact O-N 3.09Å
39Y49.9Very low49.5Very low44 Ų4470.3 Ų70.317%0.17340%0.395CS..Hα-helixtrans-67.5-45.6178.9-178.7-111.7000111I27 N36 S37 M41 Y42 L43I27-Y39 HydrophobicContact CG1-CE2 4.22Å; N36-Y39 WeakPolarHBondContact O-CB 3.26Å; N36-Y39 PolarHBondContact O-N 3.25Å; S37-Y39 PolarHBondContact O-N 2.9Å; Y39-M41 VanDerWaalsContact C-N 3.33Å; Y39-M41 PolarHBondContact O-N 3.39Å; Y39-Y42 WeakPolarHBondContact O-CB 3.39Å; Y39-Y42 PolarHBondContact O-N 3.27Å; Y39-L43 HydrophobicContact CD1-CD1 3.99Å; Y39-L43 HydrophobicContact CD1-CG 4.39Å; Y39-L43 HydrophobicContact CE1-CD1 3.54Å; Y39-L43 HydrophobicContact CE1-CD2 4.46Å; Y39-L43 HydrophobicContact CE1-CG 4.11Å; Y39-L43 HydrophobicContact CE2-CD2 4.22Å; Y39-L43 HydrophobicContact CE2-CG 4.39Å; Y39-L43 VanDerWaalsContact O-CG 3.3Å; Y39-L43 WeakPolarHBondContact O-CG 3.49Å; Y39-L43 PolarHBondContact O-N 3.48Å
40V50.1Low50.6Low52 Ų5275 Ų7532%0.31541%0.405SS..Hα-helixtrans-63.2-41.7175.5173.60000111.1P35 N36 S37 Y42 L43 N44P35-V40 HydrophobicContact CB-CG2 3.63Å; P35-V40 HydrophobicContact CG-CG2 4.35Å; N36-V40 PolarHBondContact O-N 2.76Å; S37-V40 PolarHBondContact O-N 3.21Å; V40-Y42 VanDerWaalsContact C-N 3.34Å; V40-L43 PolarHBondContact O-N 3.44Å; V40-N44 WeakPolarHBondContact O-CB 3.44Å; V40-N44 PolarHBondContact O-N 2.84Å; V40-N44 PolarHBondContact O-ND2 2.75Å; V40-N44 PolarHBondContact O-OD1 2.95Å
41M50Low51.2Low124 Ų12479 Ų7961%0.61142%0.42SS*.Hα-helixtrans-58.7-46.2174.2-74.9169.566.600111.6S37 A38 Y39 N44 A45S37-M41 VanDerWaalsContact O-CB 3.31Å; S37-M41 WeakPolarHBondContact O-CB 3.25Å; S37-M41 WeakPolarHBondContact O-CG 3.39Å; S37-M41 PolarHBondContact O-N 2.84Å; A38-M41 PolarHBondContact O-N 3.13Å; Y39-M41 VanDerWaalsContact C-N 3.33Å; Y39-M41 PolarHBondContact O-N 3.39Å; M41-N44 WeakPolarHBondContact O-CB 3.49Å; M41-N44 PolarHBondContact O-N 3.33Å; M41-A45 PolarHBondContact O-N 3Å
42Y50.9Low52.1Low100 Ų10076.7 Ų76.739%0.39241%0.408SS..Hα-helixtrans-58.5-50.3176.5178.9-77.6000111.2F21 A38 Y39 V40 N44 A45 Y46F21-Y42 HydrophobicContact CE1-CD1 4.17Å; F21-Y42 AromaticContact CE1-CE1 3.4Å; F21-Y42 HydrophobicContact CE1-CE1 3.4Å; F21-Y42 VanDerWaalsContact CE1-CE1 3.4Å; F21-Y42 HydrophobicContact CE1-CE2 4.16Å; F21-Y42 AromaticContact CE1-CZ 3.33Å; F21-Y42 VanDerWaalsContact CE1-OH 3.28Å; F21-Y42 WeakPolarHBondContact CE1-OH 3.49Å; F21-Y42 HydrophobicContact CE2-CD1 4.25Å; F21-Y42 AromaticContact CE2-CE1 3.57Å; F21-Y42 HydrophobicContact CE2-CE1 3.57Å; F21-Y42 AromaticContact CZ-CD1 3.79Å; F21-Y42 HydrophobicContact CZ-CD1 3.79Å; F21-Y42 AromaticContact CZ-CE1 2.85Å; F21-Y42 HydrophobicContact CZ-CE1 2.85Å; F21-Y42 HydrophobicContact CZ-CE2 4.34Å; F21-Y42 AromaticContact CZ-CZ 3.16Å; F21-Y42 WeakPolarHBondContact CZ-OH 3.26Å; A38-Y42 VanDerWaalsContact O-CB 3.28Å; A38-Y42 WeakPolarHBondContact O-CB 3.49Å; A38-Y42 PolarHBondContact O-N 3.09Å; Y39-Y42 WeakPolarHBondContact O-CB 3.39Å; Y39-Y42 PolarHBondContact O-N 3.27Å; V40-Y42 VanDerWaalsContact C-N 3.34Å; Y42-N44 PolarHBondContact O-N 2.97Å; Y42-A45 PolarHBondContact O-N 3.31Å; Y42-A45 VanDerWaalsContact O-N 3.14Å; Y42-Y46 HydrophobicContact CE1-CG 4.46Å; Y42-Y46 WeakPolarHBondContact O-CB 3.45Å; Y42-Y46 PolarHBondContact O-N 3.45Å
43L55.2Low53Low12 Ų1280 Ų806%0.06340%0.402CS..Hα-helixtrans-58.3-38.6177.9-66-178.7000111.8V17 Y39 V40 Y46 V47 F86V17-L43 HydrophobicContact CB-CD2 4Å; V17-L43 HydrophobicContact CG1-CD2 3.1Å; V17-L43 HydrophobicContact CG2-CD2 3.65Å; Y39-L43 HydrophobicContact CD1-CD1 3.99Å; Y39-L43 HydrophobicContact CD1-CG 4.39Å; Y39-L43 HydrophobicContact CE1-CD1 3.54Å; Y39-L43 HydrophobicContact CE1-CD2 4.46Å; Y39-L43 HydrophobicContact CE1-CG 4.11Å; Y39-L43 HydrophobicContact CE2-CD2 4.22Å; Y39-L43 HydrophobicContact CE2-CG 4.39Å; Y39-L43 VanDerWaalsContact O-CG 3.3Å; Y39-L43 WeakPolarHBondContact O-CG 3.49Å; Y39-L43 PolarHBondContact O-N 3.48Å; V40-L43 PolarHBondContact O-N 3.44Å; L43-Y46 PolarHBondContact O-N 3.25Å; L43-V47 WeakPolarHBondContact O-CG2 3.13Å; L43-V47 PolarHBondContact O-N 3.42Å; L43-F86 HydrophobicContact CB-CD2 4.34Å; L43-F86 HydrophobicContact CB-CE2 3.61Å; L43-F86 HydrophobicContact CB-CZ 4.28Å; L43-F86 HydrophobicContact CD1-CD2 4.15Å; L43-F86 HydrophobicContact CD1-CE2 4.09Å; L43-F86 HydrophobicContact CG-CE2 4.44Å
44N51Low53.5Low25 Ų2581.3 Ų81.313%0.13441%0.408CS..Hα-helixtrans-64.5-45.2178.3-61.7-35.6000111.7V40 M41 Y42 Y46 K89 Y90V40-N44 WeakPolarHBondContact O-CB 3.44Å; V40-N44 PolarHBondContact O-N 2.84Å; V40-N44 PolarHBondContact O-ND2 2.75Å; V40-N44 PolarHBondContact O-OD1 2.95Å; M41-N44 WeakPolarHBondContact O-CB 3.49Å; M41-N44 PolarHBondContact O-N 3.33Å; Y42-N44 PolarHBondContact O-N 2.97Å; N44-Y46 VanDerWaalsContact C-N 3.33Å; N44-K89 PolarHBondContact ND2-NZ 3Å; N44-K89 PolarHBondContact OD1-NZ 3.48Å; N44-Y90 WeakPolarHBondContact CA-OH 3.29Å; N44-Y90 WeakPolarHBondContact CB-OH 3.28Å; N44-Y90 WeakPolarHBondContact OD1-CE2 3.32Å; N44-Y90 PolarHBondContact OD1-OH 3.06Å
45A56.1Low53.9Low62 Ų6274.3 Ų74.351%0.51238%0.376SS..Hα-helixtrans-65-38.817800000111.7M41 Y42 E48 S49M41-A45 PolarHBondContact O-N 3Å; Y42-A45 PolarHBondContact O-N 3.31Å; Y42-A45 VanDerWaalsContact O-N 3.14Å; A45-E48 PolarHBondContact O-N 2.9Å; A45-S49 PolarHBondContact O-N 3.39Å
46Y59.5Low54.3Low8 Ų871.7 Ų71.73%0.03136%0.358CS..Hα-helixtrans-65.3-43.6-178.6-179.3-104.6000112.8V17 E20 Y42 L43 N44 E48 S49 E51 F52V17-Y46 HydrophobicContact CG2-CD1 3.89Å; V17-Y46 HydrophobicContact CG2-CE1 4.24Å; E20-Y46 VanDerWaalsContact CD-CZ 3.41Å; E20-Y46 PolarHBondContact OE1-OH 2.91Å; E20-Y46 WeakPolarHBondContact OE2-CE2 3.46Å; E20-Y46 PolarHBondContact OE2-OH 3.26Å; Y42-Y46 HydrophobicContact CE1-CG 4.46Å; Y42-Y46 WeakPolarHBondContact O-CB 3.45Å; Y42-Y46 PolarHBondContact O-N 3.45Å; L43-Y46 PolarHBondContact O-N 3.25Å; N44-Y46 VanDerWaalsContact C-N 3.33Å; Y46-E48 PolarHBondContact O-N 3.09Å; Y46-S49 WeakPolarHBondContact O-CB 3.5Å; Y46-S49 PolarHBondContact O-N 3Å; Y46-S49 PolarHBondContact O-OG 3.23Å; Y46-E51 HydrophobicContact CE2-CB 4.47Å; Y46-E51 HydrophobicContact CE2-CG 4.22Å; Y46-F52 HydrophobicContact CD1-CB 4.43Å; Y46-F52 HydrophobicContact CD1-CD2 4.25Å; Y46-F52 HydrophobicContact CE1-CB 4Å; Y46-F52 AromaticContact CE1-CD2 3.66Å; Y46-F52 HydrophobicContact CE1-CD2 3.66Å; Y46-F52 HydrophobicContact CE1-CG 4.23Å; Y46-F52 HydrophobicContact CE2-CB 4.46Å; Y46-F52 WeakPolarHBondContact O-CB 3.41Å
47V57.7Low54.7Low9 Ų969 Ų696%0.05536%0.357CS..Hα-helixtrans-62.8-24.7176.6176.40000112.4L43 F52 F86 Y90L43-V47 WeakPolarHBondContact O-CG2 3.13Å; L43-V47 PolarHBondContact O-N 3.42Å; V47-F52 HydrophobicContact CB-CD1 4.44Å; V47-F52 HydrophobicContact CG1-CD1 4.09Å; V47-F52 HydrophobicContact CG1-CE1 3.82Å; V47-F52 HydrophobicContact CG1-CZ 4.4Å; V47-F52 WeakPolarHBondContact O-CD1 2.79Å; V47-F86 HydrophobicContact CG2-CZ 3.75Å; V47-Y90 HydrophobicContact CB-CD1 3.91Å; V47-Y90 HydrophobicContact CB-CE1 3.81Å; V47-Y90 HydrophobicContact CG1-CD1 3.37Å; V47-Y90 HydrophobicContact CG1-CE1 3.72Å; V47-Y90 HydrophobicContact CG1-CG 4.13Å; V47-Y90 HydrophobicContact CG2-CD1 4.21Å; V47-Y90 HydrophobicContact CG2-CE1 4.32Å; V47-Y90 HydrophobicContact CG2-CG 4.39Å
48E62.2Low55Low115 Ų11568.2 Ų68.254%0.53735%0.352SS..Hα-helixtrans-84.9-13176.1-66-179.8-177.600113A45 Y46 R53A45-E48 PolarHBondContact O-N 2.9Å; Y46-E48 PolarHBondContact O-N 3.09Å; E48-R53 PolarHBondContact O-NH1 3.44Å
49S55.8Low55.4Low31 Ų3168 Ų6822%0.21734%0.338CS..SBendtrans-66.1158.5-178.979.10000113.3A45 Y46 E51 F52 R53A45-S49 PolarHBondContact O-N 3.39Å; Y46-S49 WeakPolarHBondContact O-CB 3.5Å; Y46-S49 PolarHBondContact O-N 3Å; Y46-S49 PolarHBondContact O-OG 3.23Å; S49-E51 VanDerWaalsContact C-N 3.33Å; S49-F52 WeakPolarHBondContact OG-CB 3.17Å; S49-F52 PolarHBondContact OG-N 3.28Å; S49-R53 PolarHBondContact O-NH1 3.26Å
50R65.5Low55.7Low210 Ų21075.3 Ų75.379%0.79237%0.37SS*.Hα-helixtrans-69.3-34.4171-70.6178.3-178.1-171.70.6111.6R53 F54R50-R53 VanDerWaalsContact CG-NH2 3.33Å; R50-R53 PolarHBondContact O-N 3.46Å; R50-R53 VanDerWaalsContact O-N 3.17Å; R50-F54 PolarHBondContact O-N 3.01Å
51E54.1Low56.1Low108 Ų10880.7 Ų80.751%0.50539%0.385SS..Hα-helixtrans-59-48.6179.3-179.2167.6-148.400111.1E20 Y46 S49 R53 F54 I55E20-E51 WeakPolarHBondContact OE1-CG 3.16Å; Y46-E51 HydrophobicContact CE2-CB 4.47Å; Y46-E51 HydrophobicContact CE2-CG 4.22Å; S49-E51 VanDerWaalsContact C-N 3.33Å; E51-R53 VanDerWaalsContact C-N 3.32Å; E51-R53 PolarHBondContact O-N 2.84Å; E51-F54 WeakPolarHBondContact O-CB 2.78Å; E51-F54 PolarHBondContact O-N 3.15Å; E51-F54 VanDerWaalsContact O-N 3.11Å; E51-I55 WeakPolarHBondContact O-CG1 3.2Å; E51-I55 PolarHBondContact O-N 3.46Å
52F58.4Low56.4Low9 Ų983.1 Ų83.14%0.03939%0.387CS..Hα-helixtrans-57.4-42173.8176.6-103.6000113L13 Y46 V47 S49 I55 L56L13-F52 HydrophobicContact CD2-CE1 4.27Å; L13-F52 HydrophobicContact CD2-CE2 3.46Å; L13-F52 VanDerWaalsContact CD2-CE2 3.46Å; L13-F52 HydrophobicContact CD2-CZ 3.13Å; Y46-F52 HydrophobicContact CD1-CB 4.43Å; Y46-F52 HydrophobicContact CD1-CD2 4.25Å; Y46-F52 HydrophobicContact CE1-CB 4Å; Y46-F52 AromaticContact CE1-CD2 3.66Å; Y46-F52 HydrophobicContact CE1-CD2 3.66Å; Y46-F52 HydrophobicContact CE1-CG 4.23Å; Y46-F52 HydrophobicContact CE2-CB 4.46Å; Y46-F52 WeakPolarHBondContact O-CB 3.41Å; V47-F52 HydrophobicContact CB-CD1 4.44Å; V47-F52 HydrophobicContact CG1-CD1 4.09Å; V47-F52 HydrophobicContact CG1-CE1 3.82Å; V47-F52 HydrophobicContact CG1-CZ 4.4Å; V47-F52 WeakPolarHBondContact O-CD1 2.79Å; S49-F52 WeakPolarHBondContact OG-CB 3.17Å; S49-F52 PolarHBondContact OG-N 3.28Å; F52-I55 PolarHBondContact O-N 3.09Å; F52-L56 HydrophobicContact CD1-CD1 3.91Å; F52-L56 HydrophobicContact CD1-CG 4.48Å; F52-L56 HydrophobicContact CE1-CD1 3.19Å; F52-L56 HydrophobicContact CE1-CG 3.9Å; F52-L56 HydrophobicContact CE2-CD1 4.35Å; F52-L56 HydrophobicContact CE2-CG 4.17Å; F52-L56 HydrophobicContact CZ-CD1 3.42Å; F52-L56 VanDerWaalsContact CZ-CD1 3.42Å; F52-L56 HydrophobicContact CZ-CD2 4Å; F52-L56 HydrophobicContact CZ-CG 3.67Å; F52-L56 WeakPolarHBondContact O-CB 3.34Å; F52-L56 WeakPolarHBondContact O-CG 3.13Å; F52-L56 PolarHBondContact O-N 3.44Å
53R60.4Low56.7Low131 Ų13180.7 Ų80.749%0.49439%0.393SS..Hα-helixtrans-66.6-38.2176.4-71.5-169.6-70.6-82.57.7112.9E48 S49 R50 E51 L56 G57E48-R53 PolarHBondContact O-NH1 3.44Å; S49-R53 PolarHBondContact O-NH1 3.26Å; R50-R53 VanDerWaalsContact CG-NH2 3.33Å; R50-R53 PolarHBondContact O-N 3.46Å; R50-R53 VanDerWaalsContact O-N 3.17Å; E51-R53 VanDerWaalsContact C-N 3.32Å; E51-R53 PolarHBondContact O-N 2.84Å; R53-L56 PolarHBondContact O-N 2.97Å; R53-G57 PolarHBondContact O-N 3.45Å
54F53.6Low56.6Low161 Ų16183.4 Ų83.471%0.70641%0.405SS*.Hα-helixtrans-63.5-46.3176.5175.6-95.7000110.8R50 E51 L56 G57 S58R50-F54 PolarHBondContact O-N 3.01Å; E51-F54 WeakPolarHBondContact O-CB 2.78Å; E51-F54 PolarHBondContact O-N 3.15Å; E51-F54 VanDerWaalsContact O-N 3.11Å; F54-L56 PolarHBondContact O-N 3.45Å; F54-G57 PolarHBondContact O-N 3.42Å; F54-G57 VanDerWaalsContact O-N 3.15Å; F54-S58 PolarHBondContact O-N 3.43Å; F54-S58 VanDerWaalsContact O-N 3.15Å
55I52.4Low56.6Low33 Ų3383.1 Ų83.117%0.16940%0.403CS..Hα-helixtrans-62.5-44176.3-71.5-177.4000110.9Q16 E20 E51 F52 G57 S58 Y59Q16-I55 HydrophobicContact CG-CG2 4.15Å; E20-I55 HydrophobicContact CG-CD1 4.21Å; E20-I55 WeakPolarHBondContact OE1-CD1 3.25Å; E51-I55 WeakPolarHBondContact O-CG1 3.2Å; E51-I55 PolarHBondContact O-N 3.46Å; F52-I55 PolarHBondContact O-N 3.09Å; I55-G57 VanDerWaalsContact C-N 3.28Å; I55-G57 PolarHBondContact O-N 3.04Å; I55-S58 PolarHBondContact O-N 3.18Å; I55-S58 PolarHBondContact O-OG 3.14Å; I55-Y59 HydrophobicContact CG2-CE2 3.86Å; I55-Y59 WeakPolarHBondContact O-CD2 3.47Å; I55-Y59 WeakPolarHBondContact O-CE2 3.23Å
56L52.8Low56.4Low12 Ų1283.6 Ų83.66%0.06340%0.397CS..Hα-helixtrans-53.1-49.3172.6-81.8175.6000111.1F12 F52 R53 F54 S58 Y59 W97F12-L56 HydrophobicContact CD1-CD2 4.44Å; F12-L56 HydrophobicContact CE1-CD2 3.63Å; F52-L56 HydrophobicContact CD1-CD1 3.91Å; F52-L56 HydrophobicContact CD1-CG 4.48Å; F52-L56 HydrophobicContact CE1-CD1 3.19Å; F52-L56 HydrophobicContact CE1-CG 3.9Å; F52-L56 HydrophobicContact CE2-CD1 4.35Å; F52-L56 HydrophobicContact CE2-CG 4.17Å; F52-L56 HydrophobicContact CZ-CD1 3.42Å; F52-L56 VanDerWaalsContact CZ-CD1 3.42Å; F52-L56 HydrophobicContact CZ-CD2 4Å; F52-L56 HydrophobicContact CZ-CG 3.67Å; F52-L56 WeakPolarHBondContact O-CB 3.34Å; F52-L56 WeakPolarHBondContact O-CG 3.13Å; F52-L56 PolarHBondContact O-N 3.44Å; R53-L56 PolarHBondContact O-N 2.97Å; F54-L56 PolarHBondContact O-N 3.45Å; L56-S58 PolarHBondContact O-N 3.16Å; L56-S58 VanDerWaalsContact O-N 3.15Å; L56-Y59 PolarHBondContact O-N 3.41Å; L56-W97 HydrophobicContact CB-CD2 4.14Å; L56-W97 HydrophobicContact CB-CG 4.36Å; L56-W97 HydrophobicContact CB-CZ2 4.14Å; L56-W97 HydrophobicContact CD1-CB 4.46Å; L56-W97 HydrophobicContact CD1-CD2 4.26Å; L56-W97 HydrophobicContact CD1-CG 3.99Å; L56-W97 HydrophobicContact CD2-CD2 3.74Å; L56-W97 HydrophobicContact CD2-CE3 3.73Å; L56-W97 HydrophobicContact CD2-CG 4.32Å; L56-W97 HydrophobicContact CD2-CH2 4.25Å; L56-W97 HydrophobicContact CD2-CZ2 4.31Å; L56-W97 HydrophobicContact CD2-CZ3 3.97Å; L56-W97 HydrophobicContact CG-CD2 4.3Å; L56-W97 WeakPolarHBondContact O-CZ2 3.46Å
57G56.9Low56.1Low56 Ų5688.2 Ų88.258%0.57742%0.422SS*.Hα-helixtrans-62.5-16.9178.100000115.9R53 F54 I55R53-G57 PolarHBondContact O-N 3.45Å; F54-G57 PolarHBondContact O-N 3.42Å; F54-G57 VanDerWaalsContact O-N 3.15Å; I55-G57 VanDerWaalsContact C-N 3.28Å; I55-G57 PolarHBondContact O-N 3.04Å
58S56.9Low55.9Low68 Ų6889.4 Ų89.448%0.47643%0.429SS..Hα-helixtrans-81.5-20.3-177.679.20000113.8F54 I55 L56 K60F54-S58 PolarHBondContact O-N 3.43Å; F54-S58 VanDerWaalsContact O-N 3.15Å; I55-S58 PolarHBondContact O-N 3.18Å; I55-S58 PolarHBondContact O-OG 3.14Å; L56-S58 PolarHBondContact O-N 3.16Å; L56-S58 VanDerWaalsContact O-N 3.15Å; S58-K60 PolarHBondContact O-N 3.41Å; S58-K60 VanDerWaalsContact O-N 3.15Å
59Y54.2Low55.6Low59 Ų5983.9 Ų83.923%0.23140%0.404CS..  trans-80.798.5177.6-68.4-96000110.5F12 Q16 I55 L56 R61 E64 I65F12-Y59 HydrophobicContact CE2-CD1 4.1Å; F12-Y59 HydrophobicContact CE2-CD2 4.34Å; F12-Y59 AromaticContact CE2-CE1 3.97Å; F12-Y59 HydrophobicContact CE2-CE1 3.97Å; F12-Y59 HydrophobicContact CE2-CE2 4.29Å; F12-Y59 HydrophobicContact CE2-CG 4.26Å; F12-Y59 HydrophobicContact CZ-CD1 4.3Å; F12-Y59 AromaticContact CZ-CD2 3.77Å; F12-Y59 HydrophobicContact CZ-CD2 3.77Å; F12-Y59 HydrophobicContact CZ-CE1 4.35Å; F12-Y59 AromaticContact CZ-CE2 3.91Å; F12-Y59 HydrophobicContact CZ-CE2 3.91Å; F12-Y59 AromaticContact CZ-CG 3.99Å; F12-Y59 HydrophobicContact CZ-CG 3.99Å; Q16-Y59 VanDerWaalsContact NE2-CZ 3.34Å; Q16-Y59 PolarHBondContact NE2-OH 3.42Å; I55-Y59 HydrophobicContact CG2-CE2 3.86Å; I55-Y59 WeakPolarHBondContact O-CD2 3.47Å; I55-Y59 WeakPolarHBondContact O-CE2 3.23Å; L56-Y59 PolarHBondContact O-N 3.41Å; Y59-R61 VanDerWaalsContact C-N 3.33Å; Y59-E64 HydrophobicContact CD1-CB 4.2Å; Y59-I65 HydrophobicContact CD1-CG1 3.89Å; Y59-I65 HydrophobicContact CG-CD1 4.5Å; Y59-I65 HydrophobicContact CG-CG1 3.97Å
60K55.5Low55.4Low197 Ų19787.2 Ų87.286%0.85742%0.419SS*.  trans-74.4-24.4177.9-63.4-175.9-179.8-179.20112.9S58S58-K60 PolarHBondContact O-N 3.41Å; S58-K60 VanDerWaalsContact O-N 3.15Å
61R59Low54.9Low165 Ų16581.1 Ų81.162%0.62341%0.405SS*.  trans-123.4121.4-169.5-63.6-173.4-69.4-166.9-1.8111.9Y59 G63 E64Y59-R61 VanDerWaalsContact C-N 3.33Å; R61-G63 PolarHBondContact O-N 3.33Å; R61-G63 VanDerWaalsContact O-N 3.08Å; R61-E64 HydrophobicContact CB-CG 4.33Å; R61-E64 IonicContact CZ-OE1 3.18Å; R61-E64 IonicContact NE-OE1 2.86Å; R61-E64 PolarHBondContact NE-OE1 2.83Å; R61-E64 IonicContact NH2-OE1 2.68Å; R61-E64 PolarHBondContact NH2-OE1 2.92Å; R61-E64 PolarHBondContact O-N 3.27Å; R61-E64 VanDerWaalsContact O-N 3.09Å
62R55.7Low54.8Low175 Ų17576.4 Ų76.466%0.6638%0.383SS*.Hα-helixtrans-49.7-35.3173.4-177.1174.7176.7151.5-2.7112.9E64 I65 L66R62-E64 PolarHBondContact O-N 3.44Å; R62-I65 WeakPolarHBondContact O-CB 3.42Å; R62-I65 PolarHBondContact O-N 3.3Å; R62-L66 HydrophobicContact CG-CD1 4.14Å; R62-L66 HydrophobicContact CG-CG 4.24Å; R62-L66 VanDerWaalsContact O-CG 3.29Å; R62-L66 WeakPolarHBondContact O-CG 3.11Å; R62-L66 PolarHBondContact O-N 2.77Å
63G57.2Low54.5Low49 Ų4978 Ų7851%0.50539%0.392SS..Hα-helixtrans-61.7-37.818000000114.3R61 L66 N67R61-G63 PolarHBondContact O-N 3.33Å; R61-G63 VanDerWaalsContact O-N 3.08Å; G63-L66 PolarHBondContact O-N 2.72Å; G63-N67 WeakPolarHBondContact O-CB 3.44Å; G63-N67 PolarHBondContact O-N 2.65Å
64E53.5Low54Low68 Ų6876.4 Ų76.432%0.31839%0.394SS..Hα-helixtrans-65.7-45.7178.5-67.7165.8-176.700110.2Y59 R61 R62 L66 N67 T68Y59-E64 HydrophobicContact CD1-CB 4.2Å; R61-E64 HydrophobicContact CB-CG 4.33Å; R61-E64 IonicContact CZ-OE1 3.18Å; R61-E64 IonicContact NE-OE1 2.86Å; R61-E64 PolarHBondContact NE-OE1 2.83Å; R61-E64 IonicContact NH2-OE1 2.68Å; R61-E64 PolarHBondContact NH2-OE1 2.92Å; R61-E64 PolarHBondContact O-N 3.27Å; R61-E64 VanDerWaalsContact O-N 3.09Å; R62-E64 PolarHBondContact O-N 3.44Å; E64-L66 VanDerWaalsContact C-N 3.33Å; E64-L66 PolarHBondContact O-N 3Å; E64-N67 PolarHBondContact O-N 2.97Å; E64-T68 VanDerWaalsContact O-CB 3.28Å; E64-T68 WeakPolarHBondContact O-CB 3.22Å; E64-T68 PolarHBondContact O-N 3.17Å; E64-T68 PolarHBondContact O-OG1 3.3Å
65I51.8Low53.9Low19 Ų1971.5 Ų71.510%0.09738%0.377CS..Hα-helixtrans-56.4-47.5176.3-57.9176.6000110.8F12 Y59 R62 A69 W97F12-I65 HydrophobicContact CB-CG2 4.28Å; F12-I65 HydrophobicContact CD1-CG2 4.23Å; F12-I65 HydrophobicContact CD2-CB 3.9Å; F12-I65 HydrophobicContact CD2-CG1 4.3Å; F12-I65 HydrophobicContact CD2-CG2 3.31Å; F12-I65 HydrophobicContact CE1-CG2 4.41Å; F12-I65 HydrophobicContact CE2-CB 3.73Å; F12-I65 HydrophobicContact CE2-CG1 3.62Å; F12-I65 HydrophobicContact CE2-CG2 3.53Å; F12-I65 HydrophobicContact CG-CG2 3.67Å; F12-I65 HydrophobicContact CZ-CB 4.4Å; F12-I65 HydrophobicContact CZ-CD1 4.4Å; F12-I65 HydrophobicContact CZ-CG1 3.93Å; F12-I65 HydrophobicContact CZ-CG2 4.05Å; Y59-I65 HydrophobicContact CD1-CG1 3.89Å; Y59-I65 HydrophobicContact CG-CD1 4.5Å; Y59-I65 HydrophobicContact CG-CG1 3.97Å; R62-I65 WeakPolarHBondContact O-CB 3.42Å; R62-I65 PolarHBondContact O-N 3.3Å; I65-A69 VanDerWaalsContact O-CB 3.22Å; I65-A69 WeakPolarHBondContact O-CB 2.94Å; I65-A69 PolarHBondContact O-N 3.31Å; I65-W97 HydrophobicContact CD1-CH2 3.61Å; I65-W97 HydrophobicContact CD1-CZ3 3.96Å
66L51.6Low53.7Low72 Ų7270.7 Ų70.738%0.37737%0.374SS..Hα-helixtrans-65.9-42.9-179.5-66.9-179.1000112V8 R62 G63 E64 A69 N70V8-L66 HydrophobicContact CG1-CD2 3.29Å; R62-L66 HydrophobicContact CG-CD1 4.14Å; R62-L66 HydrophobicContact CG-CG 4.24Å; R62-L66 VanDerWaalsContact O-CG 3.29Å; R62-L66 WeakPolarHBondContact O-CG 3.11Å; R62-L66 PolarHBondContact O-N 2.77Å; G63-L66 PolarHBondContact O-N 2.72Å; E64-L66 VanDerWaalsContact C-N 3.33Å; E64-L66 PolarHBondContact O-N 3Å; L66-A69 PolarHBondContact O-N 2.96Å; L66-N70 WeakPolarHBondContact O-CB 3.12Å; L66-N70 PolarHBondContact O-N 3.28Å
67N53.3Low53.6Low105 Ų10574.8 Ų74.856%0.56140%0.404SS*.Hα-helixtrans-65.4-46.8179.4-170.140.3000111G63 E64 A69 N70 V71G63-N67 WeakPolarHBondContact O-CB 3.44Å; G63-N67 PolarHBondContact O-N 2.65Å; E64-N67 PolarHBondContact O-N 2.97Å; N67-A69 PolarHBondContact O-N 2.57Å; N67-N70 PolarHBondContact O-N 3.01Å; N67-N70 VanDerWaalsContact O-N 3.11Å; N67-V71 WeakPolarHBondContact O-CG2 3.07Å; N67-V71 PolarHBondContact O-N 3.18Å
68T53.3Low53.3Low34 Ų3478.8 Ų78.821%0.20941%0.408CS..Hα-helixtrans-57.5-49.2175.7-64.40000110.9F12 V15 E64 N70 V71 V72F12-T68 HydrophobicContact CD2-CG2 4.5Å; V15-T68 HydrophobicContact CB-CG2 3.5Å; V15-T68 HydrophobicContact CG1-CG2 3.32Å; V15-T68 HydrophobicContact CG2-CG2 3.47Å; V15-T68 VanDerWaalsContact CG2-CG2 3.47Å; V15-T68 VanDerWaalsContact CG2-O 3.29Å; V15-T68 WeakPolarHBondContact CG2-O 3.43Å; E64-T68 VanDerWaalsContact O-CB 3.28Å; E64-T68 WeakPolarHBondContact O-CB 3.22Å; E64-T68 PolarHBondContact O-N 3.17Å; E64-T68 PolarHBondContact O-OG1 3.3Å; T68-N70 VanDerWaalsContact C-N 3.31Å; T68-N70 PolarHBondContact O-N 3.36Å; T68-V71 PolarHBondContact O-N 3.17Å; T68-V72 PolarHBondContact O-N 3.31Å
69A56.8Low52.8Low0 Ų079 Ų790%040%0.404CS..Hα-helixtrans-57.1-42.1173.700000113.1V8 A11 F12 I65 L66 N67 V72 L73V8-A69 HydrophobicContact CB-CB 4.29Å; V8-A69 HydrophobicContact CG1-CB 3.72Å; V8-A69 WeakPolarHBondContact O-CB 3.44Å; A11-A69 HydrophobicContact CB-CB 4Å; A11-A69 WeakPolarHBondContact CB-O 3.29Å; F12-A69 HydrophobicContact CB-CB 4.24Å; I65-A69 VanDerWaalsContact O-CB 3.22Å; I65-A69 WeakPolarHBondContact O-CB 2.94Å; I65-A69 PolarHBondContact O-N 3.31Å; L66-A69 PolarHBondContact O-N 2.96Å; N67-A69 PolarHBondContact O-N 2.57Å; A69-V72 PolarHBondContact O-N 3.07Å; A69-L73 WeakPolarHBondContact O-CG 3.42Å; A69-L73 PolarHBondContact O-N 2.92Å
70N51Low52.4Low101 Ų10179 Ų7954%0.5442%0.422SS..Hα-helixtrans-68.4-43-176.4-163.751.7000112.5L66 N67 T68 V72 L73 N74L66-N70 WeakPolarHBondContact O-CB 3.12Å; L66-N70 PolarHBondContact O-N 3.28Å; N67-N70 PolarHBondContact O-N 3.01Å; N67-N70 VanDerWaalsContact O-N 3.11Å; T68-N70 VanDerWaalsContact C-N 3.31Å; T68-N70 PolarHBondContact O-N 3.36Å; N70-V72 PolarHBondContact O-N 2.85Å; N70-L73 PolarHBondContact O-N 2.75Å; N70-N74 PolarHBondContact O-N 3.23Å
71V54.7Low52.1Low82 Ų8276.9 Ų76.950%0.49742%0.415SS..Hα-helixtrans-56.3-43.3174.2170.80000110.3N67 T68 N74 V75N67-V71 WeakPolarHBondContact O-CG2 3.07Å; N67-V71 PolarHBondContact O-N 3.18Å; T68-V71 PolarHBondContact O-N 3.17Å; V71-N74 VanDerWaalsContact O-CB 3.31Å; V71-N74 WeakPolarHBondContact O-CB 3.5Å; V71-N74 PolarHBondContact O-N 3.33Å; V71-V75 WeakPolarHBondContact O-CG2 3.34Å; V71-V75 PolarHBondContact O-N 3.02Å
72V52.1Low51.6Low8 Ų871.7 Ų71.75%0.04840%0.399CS..Hα-helixtrans-77.2-33.8-178.9156.80000113.9A11 F14 V15 L18 T68 A69 N70 N74 V75 A76A11-V72 HydrophobicContact CB-CB 4.34Å; A11-V72 HydrophobicContact CB-CG1 3.9Å; F14-V72 HydrophobicContact CB-CG1 4.13Å; F14-V72 HydrophobicContact CD1-CG1 3.38Å; F14-V72 HydrophobicContact CE1-CG1 4.18Å; F14-V72 HydrophobicContact CG-CG1 4.2Å; V15-V72 HydrophobicContact CB-CB 4.43Å; V15-V72 HydrophobicContact CB-CG2 3.78Å; V15-V72 HydrophobicContact CG1-CG2 3.82Å; V15-V72 HydrophobicContact CG2-CB 3.3Å; V15-V72 HydrophobicContact CG2-CG1 3.81Å; V15-V72 HydrophobicContact CG2-CG2 3.1Å; L18-V72 HydrophobicContact CD1-CG2 4.44Å; T68-V72 PolarHBondContact O-N 3.31Å; A69-V72 PolarHBondContact O-N 3.07Å; N70-V72 PolarHBondContact O-N 2.85Å; V72-N74 PolarHBondContact O-N 3.24Å; V72-V75 PolarHBondContact O-N 3.34Å; V72-A76 VanDerWaalsContact O-CB 3.26Å; V72-A76 WeakPolarHBondContact O-CB 3.42Å; V72-A76 PolarHBondContact O-N 3.32Å
73L51.2Low51.3Low42 Ų4264.2 Ų64.222%0.2237%0.373CS..Hα-helixtrans-57.6-39.6168.1-76.1176.5000110.4A7 V8 A11 A69 N70 S77 I83A7-L73 HydrophobicContact CB-CD1 3.97Å; A7-L73 HydrophobicContact CB-CD2 4.03Å; V8-L73 HydrophobicContact CG2-CD1 4.46Å; A11-L73 HydrophobicContact CB-CB 4.48Å; A11-L73 HydrophobicContact CB-CD1 4.39Å; A11-L73 HydrophobicContact CB-CD2 3.68Å; A11-L73 HydrophobicContact CB-CG 3.49Å; A11-L73 VanDerWaalsContact CB-CG 3.49Å; A69-L73 WeakPolarHBondContact O-CG 3.42Å; A69-L73 PolarHBondContact O-N 2.92Å; N70-L73 PolarHBondContact O-N 2.75Å; L73-S77 WeakPolarHBondContact O-CA 3.5Å; L73-S77 WeakPolarHBondContact O-CB 3.31Å; L73-S77 PolarHBondContact O-N 3.4Å; L73-I83 HydrophobicContact CD2-CD1 3.99Å
74N51.7Low50.6Low99 Ų9969.7 Ų69.753%0.52938%0.383SS..Hα-helixtrans-62.5-48.8175.8-162.428.5000111.2N70 V71 V72 S77 Q78N70-N74 PolarHBondContact O-N 3.23Å; V71-N74 VanDerWaalsContact O-CB 3.31Å; V71-N74 WeakPolarHBondContact O-CB 3.5Å; V71-N74 PolarHBondContact O-N 3.33Å; V72-N74 PolarHBondContact O-N 3.24Å; N74-S77 PolarHBondContact O-N 3.36Å; N74-Q78 VanDerWaalsContact O-CG 3.25Å; N74-Q78 WeakPolarHBondContact O-CG 3.32Å; N74-Q78 PolarHBondContact O-N 3.26Å
75V49.8Very low50.4Low58 Ų5871.2 Ų71.235%0.35240%0.398SS..Hα-helixtrans-61.9-46.2176.9174.40000111.9V71 V72 Q78 N79V71-V75 WeakPolarHBondContact O-CG2 3.34Å; V71-V75 PolarHBondContact O-N 3.02Å; V72-V75 PolarHBondContact O-N 3.34Å; V75-Q78 WeakPolarHBondContact O-CB 2.8Å; V75-Q78 PolarHBondContact O-N 3Å; V75-N79 PolarHBondContact O-N 3.38Å; V75-N79 VanDerWaalsContact O-N 3.09Å; V75-N79 PolarHBondContact O-ND2 2.93Å
76A49.8Very low50.3Low15 Ų1571.6 Ų71.612%0.12440%0.399CS..Hα-helixtrans-74.4-30.2-178.200000112.8V72 Q78 N79 G80 I83V72-A76 VanDerWaalsContact O-CB 3.26Å; V72-A76 WeakPolarHBondContact O-CB 3.42Å; V72-A76 PolarHBondContact O-N 3.32Å; A76-Q78 VanDerWaalsContact C-N 3.33Å; A76-N79 CarbonylContact O-C 3.6Å; A76-N79 VanDerWaalsContact O-C 3.3Å; A76-N79 PolarHBondContact O-N 2.78Å; A76-N79 VanDerWaalsContact O-N 3.13Å; A76-G80 PolarHBondContact O-N 3.33Å; A76-I83 HydrophobicContact CB-CD1 3.16Å; A76-I83 HydrophobicContact CB-CG1 3.79Å
77S50.1Low50.1Low99 Ų9969.3 Ų69.369%0.69239%0.386SS*.Hα-helixtrans-65.9-38.7170.5-175.40000110.7L73 N74 N79L73-S77 WeakPolarHBondContact O-CA 3.5Å; L73-S77 WeakPolarHBondContact O-CB 3.31Å; L73-S77 PolarHBondContact O-N 3.4Å; N74-S77 PolarHBondContact O-N 3.36Å; S77-N79 PolarHBondContact O-N 2.75Å
78Q50.6Low50.2Low140 Ų14074.8 Ų74.865%0.65440%0.399SS*.Hα-helixtrans-62.9-29.5170.3-71171.53.900112N74 V75 A76N74-Q78 VanDerWaalsContact O-CG 3.25Å; N74-Q78 WeakPolarHBondContact O-CG 3.32Å; N74-Q78 PolarHBondContact O-N 3.26Å; V75-Q78 WeakPolarHBondContact O-CB 2.8Å; V75-Q78 PolarHBondContact O-N 3Å; A76-Q78 VanDerWaalsContact C-N 3.33Å
79N47.2Very low50.5Low72 Ų7278.6 Ų78.639%0.38541%0.412SS..THydrogen-bonded Turntrans-105.29.6-176-68.4-68.8000115I31 V75 A76 S77 Q81I31-N79 HydrophobicContact CD1-CB 4.2Å; I31-N79 HydrophobicContact CG2-CB 4.31Å; V75-N79 PolarHBondContact O-N 3.38Å; V75-N79 VanDerWaalsContact O-N 3.09Å; V75-N79 PolarHBondContact O-ND2 2.93Å; A76-N79 CarbonylContact O-C 3.6Å; A76-N79 VanDerWaalsContact O-C 3.3Å; A76-N79 PolarHBondContact O-N 2.78Å; A76-N79 VanDerWaalsContact O-N 3.13Å; S77-N79 PolarHBondContact O-N 2.75Å; N79-Q81 PolarHBondContact O-N 3.45Å; N79-Q81 VanDerWaalsContact O-N 3.09Å
80G44.9Very low50.3Low60 Ų6078.7 Ų78.762%0.61941%0.413SS*.  trans75.6-27.9155.400000122.4A76A76-G80 PolarHBondContact O-N 3.33Å
81Q48.6Very low50.5Low151 Ų15175.1 Ų75.171%0.70639%0.393SS*.SBendtrans-143.63.8-155.8-69.7-170.9-9.400122.5N79N79-Q81 PolarHBondContact O-N 3.45Å; N79-Q81 VanDerWaalsContact O-N 3.09Å
82L49.1Very low50.8Low56 Ų5677.6 Ų77.629%0.29340%0.397SS..SBendtrans-124.5-7.6-166.5-68.7172.5000119.5P35P35-L82 HydrophobicContact CB-CD2 4.12Å; P35-L82 HydrophobicContact CG-CD2 4.37Å
83I48.8Very low50.9Low19 Ų1981.9 Ų81.910%0.09741%0.413CS..Hα-helixtrans-81-36.6-168.1-65.7-170.4000114A10 L73 A76 Y87A10-I83 HydrophobicContact CB-CG2 3.24Å; L73-I83 HydrophobicContact CD2-CD1 3.99Å; A76-I83 HydrophobicContact CB-CD1 3.16Å; A76-I83 HydrophobicContact CB-CG1 3.79Å; I83-Y87 PolarHBondContact O-N 2.92Å; I83-Y87 VanDerWaalsContact O-N 3.15Å
84F43.5Very low50.9Low164 Ų16480.5 Ų80.572%0.71941%0.405SS*.Hα-helixtrans-71.2-43.4-165.7-69.1-79.2000115.9F86 Y87 R88F84-F86 VanDerWaalsContact C-N 3.35Å; F84-F86 PolarHBondContact O-N 3.5Å; F84-Y87 PolarHBondContact O-N 3.45Å; F84-R88 PolarHBondContact O-N 3.46Å
85P49.9Very low51.2Low99 Ų9981.3 Ų81.364%0.64340%0.401SS*.Hα-helixtrans-63.9-40179.3-23.134.7000112.6R88 K89P85-R88 PolarHBondContact O-N 2.84Å; P85-K89 PolarHBondContact O-N 2.92Å
86F47.9Very low51.7Low27 Ų2787.5 Ų87.512%0.11842%0.418CS..Hα-helixtrans-65.7-43.8178.6-175-100.8000111.7L13 L43 V47 F84 R88 K89 Y90L13-F86 HydrophobicContact CB-CE1 3.85Å; L13-F86 HydrophobicContact CD1-CD1 4.48Å; L13-F86 HydrophobicContact CD1-CE1 3.76Å; L13-F86 HydrophobicContact CG-CE1 4.48Å; L43-F86 HydrophobicContact CB-CD2 4.34Å; L43-F86 HydrophobicContact CB-CE2 3.61Å; L43-F86 HydrophobicContact CB-CZ 4.28Å; L43-F86 HydrophobicContact CD1-CD2 4.15Å; L43-F86 HydrophobicContact CD1-CE2 4.09Å; L43-F86 HydrophobicContact CG-CE2 4.44Å; V47-F86 HydrophobicContact CG2-CZ 3.75Å; F84-F86 VanDerWaalsContact C-N 3.35Å; F84-F86 PolarHBondContact O-N 3.5Å; F86-R88 VanDerWaalsContact C-N 3.34Å; F86-R88 PolarHBondContact O-N 3.11Å; F86-K89 PolarHBondContact O-N 3.36Å; F86-Y90 HydrophobicContact CD1-CD2 4.24Å; F86-Y90 AromaticContact CD2-CD2 3.66Å; F86-Y90 HydrophobicContact CD2-CD2 3.66Å; F86-Y90 AromaticContact CD2-CE2 3.72Å; F86-Y90 HydrophobicContact CD2-CE2 3.72Å; F86-Y90 AromaticContact CE1-CD2 3.99Å; F86-Y90 HydrophobicContact CE1-CD2 3.99Å; F86-Y90 AromaticContact CE2-CD2 3.35Å; F86-Y90 HydrophobicContact CE2-CD2 3.35Å; F86-Y90 AromaticContact CE2-CE2 3.31Å; F86-Y90 HydrophobicContact CE2-CE2 3.31Å; F86-Y90 HydrophobicContact CE2-CG 4.44Å; F86-Y90 HydrophobicContact CG-CD2 4.1Å; F86-Y90 AromaticContact CZ-CD2 3.55Å; F86-Y90 HydrophobicContact CZ-CD2 3.55Å; F86-Y90 AromaticContact CZ-CE2 3.92Å; F86-Y90 HydrophobicContact CZ-CE2 3.92Å; F86-Y90 HydrophobicContact CZ-CG 4.28Å; F86-Y90 WeakPolarHBondContact O-CD2 3.45Å; F86-Y90 PolarHBondContact O-N 3.03Å; F86-Y90 VanDerWaalsContact O-N 3.15Å
87Y49Very low51.7Low24 Ų2490.6 Ų90.69%0.09443%0.427CS..Hα-helixtrans-54.5-48.7175.6175.6-106.6000112.7C6 R9 A10 I83 F84 K89 Y90 H91 I94C6-Y87 VanDerWaalsContact CA-OH 3.25Å; C6-Y87 WeakPolarHBondContact CA-OH 3.05Å; C6-Y87 HydrophobicContact CB-CD1 4.2Å; C6-Y87 HydrophobicContact CB-CE1 3.37Å; C6-Y87 HydrophobicContact CB-CE2 3.94Å; C6-Y87 WeakPolarHBondContact CB-OH 3.07Å; C6-Y87 VanDerWaalsContact O-CD2 3.22Å; C6-Y87 WeakPolarHBondContact O-CD2 3.36Å; C6-Y87 WeakPolarHBondContact O-CE2 3.47Å; C6-Y87 PolarHBondContact SG-OH 3.46Å; R9-Y87 HydrophobicContact CB-CE2 3.94Å; A10-Y87 HydrophobicContact CB-CD2 3.54Å; A10-Y87 HydrophobicContact CB-CG 3.83Å; I83-Y87 PolarHBondContact O-N 2.92Å; I83-Y87 VanDerWaalsContact O-N 3.15Å; F84-Y87 PolarHBondContact O-N 3.45Å; Y87-K89 PolarHBondContact O-N 3.47Å; Y87-Y90 PolarHBondContact O-N 2.93Å; Y87-H91 HydrophobicContact CE2-CB 4.33Å; Y87-H91 AromaticContact CE2-CD2 3.99Å; Y87-H91 AromaticContact CZ-CD2 3.73Å; Y87-H91 AromaticContact CZ-CE1 3.98Å; Y87-H91 AromaticContact CZ-CG 3.77Å; Y87-H91 AromaticContact CZ-ND1 3.98Å; Y87-H91 AromaticContact CZ-NE2 3.96Å; Y87-H91 WeakPolarHBondContact O-CB 2.92Å; Y87-H91 PolarHBondContact O-N 3.11Å; Y87-H91 PolarHBondContact OH-CD2 3.39Å; Y87-H91 PolarHBondContact OH-CE1 2.91Å; Y87-H91 PolarHBondContact OH-ND1 2.92Å; Y87-H91 PolarHBondContact OH-NE2 3.27Å; Y87-I94 HydrophobicContact CE2-CD1 4.5Å
88R55.4Low51.3Low221 Ų22189.7 Ų89.783%0.83441%0.414SS*.Hα-helixtrans-58.4-37.8-177.3-165.9177.1-160.7150.63.8111.6F84 P85 F86F84-R88 PolarHBondContact O-N 3.46Å; P85-R88 PolarHBondContact O-N 2.84Å; F86-R88 VanDerWaalsContact C-N 3.34Å; F86-R88 PolarHBondContact O-N 3.11Å
89K57.8Low51.8Low113 Ų11395 Ų9549%0.49143%0.427SS..Hα-helixtrans-71.9-43.6-179.9-172.4173.2179.3-176.10112.9N44 P85 F86 Y87N44-K89 PolarHBondContact ND2-NZ 3Å; N44-K89 PolarHBondContact OD1-NZ 3.48Å; P85-K89 PolarHBondContact O-N 2.92Å; F86-K89 PolarHBondContact O-N 3.36Å; Y87-K89 PolarHBondContact O-N 3.47Å
90Y53.8Low52Low3 Ų396.1 Ų96.11%0.01243%0.43CS..Hα-helixtrans-96.2-4.7-171.1-71-71.4000115.5N44 V47 F86 Y87 K92 Y93 I94N44-Y90 WeakPolarHBondContact CA-OH 3.29Å; N44-Y90 WeakPolarHBondContact CB-OH 3.28Å; N44-Y90 WeakPolarHBondContact OD1-CE2 3.32Å; N44-Y90 PolarHBondContact OD1-OH 3.06Å; V47-Y90 HydrophobicContact CB-CD1 3.91Å; V47-Y90 HydrophobicContact CB-CE1 3.81Å; V47-Y90 HydrophobicContact CG1-CD1 3.37Å; V47-Y90 HydrophobicContact CG1-CE1 3.72Å; V47-Y90 HydrophobicContact CG1-CG 4.13Å; V47-Y90 HydrophobicContact CG2-CD1 4.21Å; V47-Y90 HydrophobicContact CG2-CE1 4.32Å; V47-Y90 HydrophobicContact CG2-CG 4.39Å; F86-Y90 HydrophobicContact CD1-CD2 4.24Å; F86-Y90 AromaticContact CD2-CD2 3.66Å; F86-Y90 HydrophobicContact CD2-CD2 3.66Å; F86-Y90 AromaticContact CD2-CE2 3.72Å; F86-Y90 HydrophobicContact CD2-CE2 3.72Å; F86-Y90 AromaticContact CE1-CD2 3.99Å; F86-Y90 HydrophobicContact CE1-CD2 3.99Å; F86-Y90 AromaticContact CE2-CD2 3.35Å; F86-Y90 HydrophobicContact CE2-CD2 3.35Å; F86-Y90 AromaticContact CE2-CE2 3.31Å; F86-Y90 HydrophobicContact CE2-CE2 3.31Å; F86-Y90 HydrophobicContact CE2-CG 4.44Å; F86-Y90 HydrophobicContact CG-CD2 4.1Å; F86-Y90 AromaticContact CZ-CD2 3.55Å; F86-Y90 HydrophobicContact CZ-CD2 3.55Å; F86-Y90 AromaticContact CZ-CE2 3.92Å; F86-Y90 HydrophobicContact CZ-CE2 3.92Å; F86-Y90 HydrophobicContact CZ-CG 4.28Å; F86-Y90 WeakPolarHBondContact O-CD2 3.45Å; F86-Y90 PolarHBondContact O-N 3.03Å; F86-Y90 VanDerWaalsContact O-N 3.15Å; Y87-Y90 PolarHBondContact O-N 2.93Å; Y90-K92 PolarHBondContact O-N 2.98Å; Y90-Y93 AromaticContact CD1-CD2 3.86Å; Y90-Y93 HydrophobicContact CD1-CD2 3.86Å; Y90-Y93 HydrophobicContact CD1-CE2 4.15Å; Y90-Y93 HydrophobicContact CE1-CE2 4.4Å; Y90-Y93 PolarHBondContact O-N 2.96Å; Y90-I94 PolarHBondContact O-N 3.46Å
91H55.3Low52.4Low25 Ų2598 Ų9812%0.11642%0.42CS..Hα-helixtrans-50.6-36.8-177.5-174.9-163.5000114.5Y87 Y93 I94 R95Y87-H91 HydrophobicContact CE2-CB 4.33Å; Y87-H91 AromaticContact CE2-CD2 3.99Å; Y87-H91 AromaticContact CZ-CD2 3.73Å; Y87-H91 AromaticContact CZ-CE1 3.98Å; Y87-H91 AromaticContact CZ-CG 3.77Å; Y87-H91 AromaticContact CZ-ND1 3.98Å; Y87-H91 AromaticContact CZ-NE2 3.96Å; Y87-H91 WeakPolarHBondContact O-CB 2.92Å; Y87-H91 PolarHBondContact O-N 3.11Å; Y87-H91 PolarHBondContact OH-CD2 3.39Å; Y87-H91 PolarHBondContact OH-CE1 2.91Å; Y87-H91 PolarHBondContact OH-ND1 2.92Å; Y87-H91 PolarHBondContact OH-NE2 3.27Å; H91-Y93 PolarHBondContact O-N 3.15Å; H91-I94 PolarHBondContact O-N 3.39Å; H91-R95 PolarHBondContact CE1-NE 3.08Å; H91-R95 PolarHBondContact CE1-NH2 3.15Å; H91-R95 PolarHBondContact ND1-NE 3.15Å; H91-R95 PolarHBondContact ND1-NH2 3.09Å; H91-R95 VanDerWaalsContact ND1-NH2 3.12Å; H91-R95 WeakPolarHBondContact NE2-CG 3.43Å; H91-R95 PolarHBondContact NE2-NE 3.43Å; H91-R95 WeakPolarHBondContact O-CG 3.19Å; H91-R95 PolarHBondContact O-N 3.05Å
92K61.2Low52.6Low135 Ų13595.1 Ų95.159%0.58740%0.404SS*.Hα-helixtrans-62.8-39.1-179.571.3-179.9-176.3179.70113.2Y90 R96Y90-K92 PolarHBondContact O-N 2.98Å; K92-R96 PolarHBondContact O-N 3.36Å; K92-R96 VanDerWaalsContact O-N 3.1Å
93Y54.5Low52.8Low98 Ų9897.4 Ų97.438%0.38441%0.41SS..Hα-helixtrans-72.1-41.9-179.9-60.8-82000110.6Y90 H91 R95 R96 W97Y90-Y93 AromaticContact CD1-CD2 3.86Å; Y90-Y93 HydrophobicContact CD1-CD2 3.86Å; Y90-Y93 HydrophobicContact CD1-CE2 4.15Å; Y90-Y93 HydrophobicContact CE1-CE2 4.4Å; Y90-Y93 PolarHBondContact O-N 2.96Å; H91-Y93 PolarHBondContact O-N 3.15Å; Y93-R95 PolarHBondContact O-N 3.35Å; Y93-R96 PolarHBondContact O-N 2.86Å; Y93-W97 PolarHBondContact O-N 2.68Å
94I50.5Low53.1Low12 Ų12102.3 Ų102.36%0.06243%0.43CS..Hα-helixtrans-62.6-42.7176.9-49.8167000111.2R9 L13 Y87 Y90 H91 R96 W97 L98R9-I94 HydrophobicContact CB-CD1 4Å; R9-I94 HydrophobicContact CB-CG2 3.91Å; R9-I94 HydrophobicContact CG-CG2 3.71Å; L13-I94 HydrophobicContact CD1-CD1 3.28Å; L13-I94 HydrophobicContact CD1-CG1 3.68Å; L13-I94 HydrophobicContact CD2-CG1 4.24Å; L13-I94 HydrophobicContact CG-CD1 3.84Å; L13-I94 HydrophobicContact CG-CG1 4.11Å; Y87-I94 HydrophobicContact CE2-CD1 4.5Å; Y90-I94 PolarHBondContact O-N 3.46Å; H91-I94 PolarHBondContact O-N 3.39Å; I94-R96 VanDerWaalsContact C-N 3.34Å; I94-W97 PolarHBondContact O-N 3.41Å; I94-L98 HydrophobicContact CG2-CD1 4.03Å; I94-L98 WeakPolarHBondContact O-CG 3.47Å; I94-L98 PolarHBondContact O-N 2.84Å; I94-L98 VanDerWaalsContact O-N 3.16Å
95R57.5Low53.7Low116 Ų11698.1 Ų98.144%0.43841%0.41SS..Hα-helixtrans-64.4-38.1175-73.4-169.4-149.9-163.413.7112.7M1 H91 Y93 W97 R99M1-R95 HydrophobicContact CE-CG 4.2Å; H91-R95 PolarHBondContact CE1-NE 3.08Å; H91-R95 PolarHBondContact CE1-NH2 3.15Å; H91-R95 PolarHBondContact ND1-NE 3.15Å; H91-R95 PolarHBondContact ND1-NH2 3.09Å; H91-R95 VanDerWaalsContact ND1-NH2 3.12Å; H91-R95 WeakPolarHBondContact NE2-CG 3.43Å; H91-R95 PolarHBondContact NE2-NE 3.43Å; H91-R95 WeakPolarHBondContact O-CG 3.19Å; H91-R95 PolarHBondContact O-N 3.05Å; Y93-R95 PolarHBondContact O-N 3.35Å; R95-W97 VanDerWaalsContact C-N 3.3Å; R95-R99 PolarHBondContact O-N 3.15Å
96R60.2Low54Low188 Ų18898.1 Ų98.171%0.70939%0.394SS*.Hα-helixtrans-65.9-37.1178.6-176.4172.7-179159.30.4111.4K92 Y93 I94K92-R96 PolarHBondContact O-N 3.36Å; K92-R96 VanDerWaalsContact O-N 3.1Å; Y93-R96 PolarHBondContact O-N 2.86Å; I94-R96 VanDerWaalsContact C-N 3.34Å
97W49.9Very low54.5Low81 Ų81103.5 Ų103.531%0.30742%0.415SS..Hα-helixtrans-74.3-29.8179.5179.672000114L56 I65 Y93 I94 R95 R99L56-W97 HydrophobicContact CB-CD2 4.14Å; L56-W97 HydrophobicContact CB-CG 4.36Å; L56-W97 HydrophobicContact CB-CZ2 4.14Å; L56-W97 HydrophobicContact CD1-CB 4.46Å; L56-W97 HydrophobicContact CD1-CD2 4.26Å; L56-W97 HydrophobicContact CD1-CG 3.99Å; L56-W97 HydrophobicContact CD2-CD2 3.74Å; L56-W97 HydrophobicContact CD2-CE3 3.73Å; L56-W97 HydrophobicContact CD2-CG 4.32Å; L56-W97 HydrophobicContact CD2-CH2 4.25Å; L56-W97 HydrophobicContact CD2-CZ2 4.31Å; L56-W97 HydrophobicContact CD2-CZ3 3.97Å; L56-W97 HydrophobicContact CG-CD2 4.3Å; L56-W97 WeakPolarHBondContact O-CZ2 3.46Å; I65-W97 HydrophobicContact CD1-CH2 3.61Å; I65-W97 HydrophobicContact CD1-CZ3 3.96Å; Y93-W97 PolarHBondContact O-N 2.68Å; I94-W97 PolarHBondContact O-N 3.41Å; R95-W97 VanDerWaalsContact C-N 3.3Å; W97-R99 VanDerWaalsContact C-N 3.34Å
98L42.7Very low54.9Low80 Ų80110.2 Ų110.242%0.41944%0.442SS..THydrogen-bonded Turntrans-83.5-6.4178.4-75.2169.7000114.8R9 I94R9-L98 HydrophobicContact CG-CD1 4.33Å; R9-L98 VanDerWaalsContact NH1-CD1 3.25Å; I94-L98 HydrophobicContact CG2-CD1 4.03Å; I94-L98 WeakPolarHBondContact O-CG 3.47Å; I94-L98 PolarHBondContact O-N 2.84Å; I94-L98 VanDerWaalsContact O-N 3.16Å
99R60.1Low54.9Low250 Ų250100.1 Ų100.194%0.94341%0.406SS*.  trans-87.70168.7-77.3-174.3-75.8179.8-2.7108.1R95 W97R95-R99 PolarHBondContact O-N 3.15Å; W97-R99 VanDerWaalsContact C-N 3.34Å

Retrieved 99 of 99 residues in 295.5 ms (Link to these results)