A0A077Z695_TRITR Loading...

Palmitoyltransferase

AlphaFold DB , UniProt , Accession A0A077Z695, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 341 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
1M44.5Very low52.2Low215 Ų215129.3 Ų129.3100%1.05967%0.666SS**  0170-84.5156.465.700113.3
2D52.8Low54.1Low137 Ų137122.6 Ų122.673%0.73364%0.639SS**  trans-96.2-16.2-173.9-66.8-54.2000117.4M4D2-M4 VanDerWaalsContact C-N 3.32Å; D2-M4 PolarHBondContact O-N 3.41Å
3R47.8Very low56.3Low222 Ų222130.8 Ų130.884%0.83866%0.657SS**Hα-helixtrans-76.2-17.8-179.6-72.5-170.8-157.1-153.65.1114.2
4M48Very low58.3Low149 Ų149130.2 Ų130.273%0.73466%0.656SS**Hα-helixtrans-84.9-34.7-179.7-64.1-165.9-5000112.4D2 K7 S8D2-M4 VanDerWaalsContact C-N 3.32Å; D2-M4 PolarHBondContact O-N 3.41Å; M4-K7 PolarHBondContact O-N 2.94Å; M4-S8 PolarHBondContact O-N 3.19Å; M4-S8 VanDerWaalsContact O-N 3.14Å
5G47.7Very low60Low36 Ų36124.7 Ų124.737%0.37163%0.631SS.*Hα-helixtrans-67-41.317800000113.4K7 S8 C9G5-K7 VanDerWaalsContact C-N 3.33Å; G5-K7 PolarHBondContact O-N 3.48Å; G5-S8 PolarHBondContact O-N 3.19Å; G5-S8 PolarHBondContact O-OG 2.99Å; G5-C9 PolarHBondContact O-N 3.39Å; G5-C9 PolarHBondContact O-SG 2.98Å; G5-C9 VanDerWaalsContact O-SG 3.4Å
6I55.9Low61.4Low114 Ų114124.7 Ų124.759%0.58563%0.626SS**Hα-helixtrans-64.8-38.2178.3-64.1171.3000111.4L10I6-L10 HydrophobicContact CG2-CD1 3.94Å; I6-L10 WeakPolarHBondContact O-CB 3.3Å; I6-L10 WeakPolarHBondContact O-CG 3.45Å; I6-L10 PolarHBondContact O-N 3.35Å
7K51.8Low62.8Low153 Ų153120.5 Ų120.567%0.66562%0.615SS**Hα-helixtrans-69.1-35.2177-73.2-176178-176.80112.5M4 G5 N11M4-K7 PolarHBondContact O-N 2.94Å; G5-K7 VanDerWaalsContact C-N 3.33Å; G5-K7 PolarHBondContact O-N 3.48Å; K7-N11 WeakPolarHBondContact O-CB 3.42Å; K7-N11 PolarHBondContact O-N 2.93Å; K7-N11 VanDerWaalsContact O-N 3.13Å
8S54.4Low64.3Low76 Ų76117.2 Ų117.253%0.53160%0.602SS.*Hα-helixtrans-72.1-37.6176.575.60000111.9M4 G5 N11 S12M4-S8 PolarHBondContact O-N 3.19Å; M4-S8 VanDerWaalsContact O-N 3.14Å; G5-S8 PolarHBondContact O-N 3.19Å; G5-S8 PolarHBondContact O-OG 2.99Å; S8-N11 PolarHBondContact O-N 2.84Å; S8-S12 PolarHBondContact O-N 3.3Å
9C52.7Low65.5Low80 Ų80115.7 Ų115.754%0.54159%0.594SS.*Hα-helixtrans-63.4-44.7173.6-70.80000112.2G5 N11 S12 V15G5-C9 PolarHBondContact O-N 3.39Å; G5-C9 PolarHBondContact O-SG 2.98Å; G5-C9 VanDerWaalsContact O-SG 3.4Å; C9-N11 PolarHBondContact O-N 3.42Å; C9-S12 VanDerWaalsContact O-CB 3.27Å; C9-S12 WeakPolarHBondContact O-CB 3.29Å; C9-S12 PolarHBondContact O-N 3.44Å; C9-S12 VanDerWaalsContact O-N 3.11Å; C9-V15 VanDerWaalsContact O-CG2 3.29Å; C9-V15 WeakPolarHBondContact O-CG2 3.4Å
10L58.1Low66.6Low96 Ų96113.2 Ų113.250%0.50358%0.58SS.*Hα-helixtrans-67.4-21.5176-72.1167000113.3I6 S12 V15 L19I6-L10 HydrophobicContact CG2-CD1 3.94Å; I6-L10 WeakPolarHBondContact O-CB 3.3Å; I6-L10 WeakPolarHBondContact O-CG 3.45Å; I6-L10 PolarHBondContact O-N 3.35Å; L10-S12 VanDerWaalsContact C-N 3.3Å; L10-V15 HydrophobicContact CD2-CG1 4.07Å; L10-L19 HydrophobicContact CD2-CD1 4.4Å
11N60.6Low67.8Low144 Ų144113.8 Ų113.877%0.7758%0.584SS**THydrogen-bonded Turntrans-82.2-4.1173.6-102.20.4000113.7K7 S8 C9 R13K7-N11 WeakPolarHBondContact O-CB 3.42Å; K7-N11 PolarHBondContact O-N 2.93Å; K7-N11 VanDerWaalsContact O-N 3.13Å; S8-N11 PolarHBondContact O-N 2.84Å; C9-N11 PolarHBondContact O-N 3.42Å; N11-R13 PolarHBondContact O-N 3.4Å
12S75Confident70.1Confident49 Ų49110 Ų11034%0.34356%0.561SS.*SBendtrans-65.7124.5171176.70000109.3S8 C9 L10 L14 V15 F16S8-S12 PolarHBondContact O-N 3.3Å; C9-S12 VanDerWaalsContact O-CB 3.27Å; C9-S12 WeakPolarHBondContact O-CB 3.29Å; C9-S12 PolarHBondContact O-N 3.44Å; C9-S12 VanDerWaalsContact O-N 3.11Å; L10-S12 VanDerWaalsContact C-N 3.3Å; S12-L14 PolarHBondContact O-N 2.89Å; S12-L14 PolarHBondContact OG-N 3.05Å; S12-V15 PolarHBondContact O-N 3.41Å; S12-F16 PolarHBondContact O-N 2.91Å; S12-F16 VanDerWaalsContact O-N 3.07Å
13R82.7Confident72.1Confident230 Ų230106.5 Ų106.587%0.86854%0.538SS*.Hα-helixtrans-50.8-33173.4-69.6-176.5176.4-172.5-0.4111.7N11 A17N11-R13 PolarHBondContact O-N 3.4Å; R13-A17 VanDerWaalsContact O-CB 3.31Å; R13-A17 WeakPolarHBondContact O-CB 3.44Å; R13-A17 PolarHBondContact O-N 2.93Å
14L85Confident74.4Confident122 Ų122100.9 Ų100.964%0.63952%0.517SS*.Hα-helixtrans-64.8-48.2176-177.864.9000111.7S12 F16 A17 V18S12-L14 PolarHBondContact O-N 2.89Å; S12-L14 PolarHBondContact OG-N 3.05Å; L14-F16 VanDerWaalsContact C-N 3.33Å; L14-F16 PolarHBondContact O-N 3Å; L14-A17 PolarHBondContact O-N 3.48Å; L14-V18 HydrophobicContact CD1-CG2 4.33Å; L14-V18 HydrophobicContact CG-CG2 4.47Å; L14-V18 WeakPolarHBondContact O-CB 3.13Å; L14-V18 VanDerWaalsContact O-CG2 3.25Å; L14-V18 WeakPolarHBondContact O-CG2 3.47Å; L14-V18 PolarHBondContact O-N 3.28Å
15V83.7Confident76.8Confident48 Ų4897.7 Ų97.729%0.29151%0.506SS..Hα-helixtrans-63-42.8179.1174.50000110.5C9 L10 S12 A17 V18 L19C9-V15 VanDerWaalsContact O-CG2 3.29Å; C9-V15 WeakPolarHBondContact O-CG2 3.4Å; L10-V15 HydrophobicContact CD2-CG1 4.07Å; S12-V15 PolarHBondContact O-N 3.41Å; V15-A17 PolarHBondContact O-N 3.48Å; V15-V18 PolarHBondContact O-N 3.37Å; V15-L19 HydrophobicContact CG1-CD1 4.05Å; V15-L19 HydrophobicContact CG1-CG 4.39Å; V15-L19 WeakPolarHBondContact O-CB 3.3Å; V15-L19 VanDerWaalsContact O-CG 3.25Å; V15-L19 WeakPolarHBondContact O-CG 3.08Å; V15-L19 PolarHBondContact O-N 3.37Å
16F81.7Confident79.1Confident124 Ų12497.4 Ų97.454%0.54450%0.497SS..Hα-helixtrans-61.1-45.7174.4-174.6-96.9000112.1S12 L14 V18 L19 Q20S12-F16 PolarHBondContact O-N 2.91Å; S12-F16 VanDerWaalsContact O-N 3.07Å; L14-F16 VanDerWaalsContact C-N 3.33Å; L14-F16 PolarHBondContact O-N 3Å; F16-V18 PolarHBondContact O-N 3.05Å; F16-L19 PolarHBondContact O-N 3.36Å; F16-Q20 HydrophobicContact CD1-CG 3.98Å; F16-Q20 HydrophobicContact CE1-CG 3.66Å; F16-Q20 HydrophobicContact CZ-CG 4.01Å; F16-Q20 VanDerWaalsContact O-CG 3.3Å; F16-Q20 WeakPolarHBondContact O-CG 2.93Å; F16-Q20 PolarHBondContact O-N 3.13Å
17A86Confident81.1Confident54 Ų5492.3 Ų92.345%0.44647%0.471SS..Hα-helixtrans-61.1-44177.800000112.2R13 L14 V15 Q20 L21R13-A17 VanDerWaalsContact O-CB 3.31Å; R13-A17 WeakPolarHBondContact O-CB 3.44Å; R13-A17 PolarHBondContact O-N 2.93Å; L14-A17 PolarHBondContact O-N 3.48Å; V15-A17 PolarHBondContact O-N 3.48Å; A17-Q20 PolarHBondContact O-N 3.31Å; A17-L21 PolarHBondContact O-N 3.24Å
18V89.6Confident83.3Confident61 Ų6187.7 Ų87.737%0.3746%0.462SS..Hα-helixtrans-61.3-46.8176169.60000110.6L14 V15 F16 Q20 L21 F22L14-V18 HydrophobicContact CD1-CG2 4.33Å; L14-V18 HydrophobicContact CG-CG2 4.47Å; L14-V18 WeakPolarHBondContact O-CB 3.13Å; L14-V18 VanDerWaalsContact O-CG2 3.25Å; L14-V18 WeakPolarHBondContact O-CG2 3.47Å; L14-V18 PolarHBondContact O-N 3.28Å; V15-V18 PolarHBondContact O-N 3.37Å; F16-V18 PolarHBondContact O-N 3.05Å; V18-Q20 VanDerWaalsContact C-N 3.33Å; V18-Q20 PolarHBondContact O-N 3.43Å; V18-L21 WeakPolarHBondContact O-CB 3.44Å; V18-L21 PolarHBondContact O-N 3.42Å; V18-L21 VanDerWaalsContact O-N 3.14Å; V18-F22 HydrophobicContact CG1-CD2 3.56Å; V18-F22 HydrophobicContact CG1-CE2 3.39Å; V18-F22 VanDerWaalsContact O-CD2 3.22Å; V18-F22 WeakPolarHBondContact O-CD2 3.21Å; V18-F22 PolarHBondContact O-N 3.37Å
19L87.1Confident85.4Confident89 Ų8989.2 Ų89.247%0.46646%0.459SS..Hα-helixtrans-61.6-39.5176.2-71173.9000112.4L10 V15 F16 L21 F22 R23L10-L19 HydrophobicContact CD2-CD1 4.4Å; V15-L19 HydrophobicContact CG1-CD1 4.05Å; V15-L19 HydrophobicContact CG1-CG 4.39Å; V15-L19 WeakPolarHBondContact O-CB 3.3Å; V15-L19 VanDerWaalsContact O-CG 3.25Å; V15-L19 WeakPolarHBondContact O-CG 3.08Å; V15-L19 PolarHBondContact O-N 3.37Å; F16-L19 PolarHBondContact O-N 3.36Å; L19-L21 VanDerWaalsContact C-N 3.31Å; L19-L21 PolarHBondContact O-N 3.5Å; L19-F22 PolarHBondContact O-N 2.94Å; L19-R23 VanDerWaalsContact O-CG 3.31Å; L19-R23 WeakPolarHBondContact O-CG 3.27Å; L19-R23 PolarHBondContact O-N 3.29Å
20Q87.5Confident87.5Confident64 Ų6486.3 Ų86.330%0.29944%0.438SS..Hα-helixtrans-63.4-38.2174.8-69-60.5-24.300111.9F16 A17 V18 R23 W24F16-Q20 HydrophobicContact CD1-CG 3.98Å; F16-Q20 HydrophobicContact CE1-CG 3.66Å; F16-Q20 HydrophobicContact CZ-CG 4.01Å; F16-Q20 VanDerWaalsContact O-CG 3.3Å; F16-Q20 WeakPolarHBondContact O-CG 2.93Å; F16-Q20 PolarHBondContact O-N 3.13Å; A17-Q20 PolarHBondContact O-N 3.31Å; V18-Q20 VanDerWaalsContact C-N 3.33Å; V18-Q20 PolarHBondContact O-N 3.43Å; Q20-R23 PolarHBondContact O-N 3.19Å; Q20-W24 VanDerWaalsContact O-CD1 3.23Å
21L91.4Very high89.4Confident126 Ų12685 Ų8566%0.6643%0.431SS*.Hα-helixtrans-66-46.1175.3-177.263.5000111.8A17 V18 L19 R23 W24A17-L21 PolarHBondContact O-N 3.24Å; V18-L21 WeakPolarHBondContact O-CB 3.44Å; V18-L21 PolarHBondContact O-N 3.42Å; V18-L21 VanDerWaalsContact O-N 3.14Å; L19-L21 VanDerWaalsContact C-N 3.31Å; L19-L21 PolarHBondContact O-N 3.5Å; L21-R23 PolarHBondContact O-N 3.3Å; L21-R23 VanDerWaalsContact O-N 3.17Å; L21-W24 WeakPolarHBondContact O-CB 3.3Å; L21-W24 PolarHBondContact O-N 3.44Å
22F93.4Very high91.2Very high136 Ų13680.4 Ų80.460%0.59641%0.413SS*.Hα-helixtrans-58.2-30.7178.5-87.7-71.7000113.1V18 L19 W24 V25V18-F22 HydrophobicContact CG1-CD2 3.56Å; V18-F22 HydrophobicContact CG1-CE2 3.39Å; V18-F22 VanDerWaalsContact O-CD2 3.22Å; V18-F22 WeakPolarHBondContact O-CD2 3.21Å; V18-F22 PolarHBondContact O-N 3.37Å; L19-F22 PolarHBondContact O-N 2.94Å; F22-W24 PolarHBondContact O-N 3.46Å; F22-V25 HydrophobicContact CD1-CG2 4.27Å; F22-V25 WeakPolarHBondContact O-CB 3.45Å; F22-V25 WeakPolarHBondContact O-CG2 3.38Å; F22-V25 PolarHBondContact O-N 3Å; F22-V25 VanDerWaalsContact O-N 3.14Å
23R93.3Very high92.2Very high64 Ų6479.6 Ų79.624%0.24241%0.406CS..THydrogen-bonded Turntrans-66.4-19.1176.8-70.117162.6156.8-0.5114.1L19 Q20 L21 V140 N156L19-R23 VanDerWaalsContact O-CG 3.31Å; L19-R23 WeakPolarHBondContact O-CG 3.27Å; L19-R23 PolarHBondContact O-N 3.29Å; Q20-R23 PolarHBondContact O-N 3.19Å; L21-R23 PolarHBondContact O-N 3.3Å; L21-R23 VanDerWaalsContact O-N 3.17Å; R23-V140 VanDerWaalsContact CZ-CG1 3.45Å; R23-V140 PolarHBondContact NH1-O 2.78Å; R23-N156 WeakPolarHBondContact CB-OD1 3.5Å; R23-N156 PolarHBondContact NE-OD1 2.97Å; R23-N156 WeakPolarHBondContact O-CB 3.34Å; R23-N156 VanDerWaalsContact O-CG 3.27Å
24W97.2Very high92.9Very high103 Ų10369.5 Ų69.539%0.3937%0.37SS..THydrogen-bonded Turntrans-85-10.4175.2-72100.8000113.5Q20 L21 F22 V27 A28 V69 F70 N156Q20-W24 VanDerWaalsContact O-CD1 3.23Å; L21-W24 WeakPolarHBondContact O-CB 3.3Å; L21-W24 PolarHBondContact O-N 3.44Å; F22-W24 PolarHBondContact O-N 3.46Å; W24-V27 HydrophobicContact CE3-CB 4.01Å; W24-V27 HydrophobicContact CE3-CG1 4.03Å; W24-V27 HydrophobicContact CE3-CG2 4.15Å; W24-V27 HydrophobicContact CZ3-CB 4.49Å; W24-V27 HydrophobicContact CZ3-CG1 4.15Å; W24-V27 HydrophobicContact CZ3-CG2 4.39Å; W24-V27 PolarHBondContact O-N 2.83Å; W24-V27 VanDerWaalsContact O-N 3.14Å; W24-A28 WeakPolarHBondContact O-CB 3.08Å; W24-A28 PolarHBondContact O-N 3.39Å; W24-V69 HydrophobicContact CH2-CG1 4.07Å; W24-V69 HydrophobicContact CZ3-CG1 3.81Å; W24-F70 AromaticContact CH2-CE1 3.8Å; W24-F70 HydrophobicContact CH2-CE1 3.8Å; W24-F70 HydrophobicContact CH2-CZ 4.3Å; W24-F70 HydrophobicContact CZ3-CE1 4.31Å; W24-F70 HydrophobicContact CZ3-CZ 4.37Å; W24-N156 HydrophobicContact CE3-CB 4.36Å; W24-N156 HydrophobicContact CZ3-CB 4.5Å; W24-N156 PolarHBondContact NE1-ND2 2.73Å
25V97.3Very high93.5Very high83 Ų8369.8 Ų69.850%0.50337%0.37SS..Hα-helixtrans-56.2-46.8-179.3172.60000112.6F22 V27 A28 F29F22-V25 HydrophobicContact CD1-CG2 4.27Å; F22-V25 WeakPolarHBondContact O-CB 3.45Å; F22-V25 WeakPolarHBondContact O-CG2 3.38Å; F22-V25 PolarHBondContact O-N 3Å; F22-V25 VanDerWaalsContact O-N 3.14Å; V25-V27 VanDerWaalsContact C-N 3.33Å; V25-V27 PolarHBondContact O-N 3.44Å; V25-A28 PolarHBondContact O-N 3.4Å; V25-F29 WeakPolarHBondContact O-CB 3.4Å; V25-F29 PolarHBondContact O-N 3.36Å
26P97.8Very high94Very high29 Ų2971 Ų7119%0.18837%0.369CS..Hα-helixtrans-63-37.5177.5-22.734.5000113.1F29 I30 P153 W154P26-F29 PolarHBondContact O-N 3.11Å; P26-I30 WeakPolarHBondContact O-CG1 3.35Å; P26-I30 PolarHBondContact O-N 2.99Å; P26-P153 WeakPolarHBondContact CB-O 3.34Å; P26-P153 HydrophobicContact CG-CB 4.27Å; P26-W154 HydrophobicContact CB-CD2 4.46Å; P26-W154 HydrophobicContact CB-CE3 3.79Å; P26-W154 HydrophobicContact CB-CZ3 4.18Å
27V98.1Very high94.6Very high7 Ų765.7 Ų65.74%0.04235%0.347CS..Hα-helixtrans-66.5-45.6177.6175.40000110.5W24 V25 F29 I30 L31 Y65 N156W24-V27 HydrophobicContact CE3-CB 4.01Å; W24-V27 HydrophobicContact CE3-CG1 4.03Å; W24-V27 HydrophobicContact CE3-CG2 4.15Å; W24-V27 HydrophobicContact CZ3-CB 4.49Å; W24-V27 HydrophobicContact CZ3-CG1 4.15Å; W24-V27 HydrophobicContact CZ3-CG2 4.39Å; W24-V27 PolarHBondContact O-N 2.83Å; W24-V27 VanDerWaalsContact O-N 3.14Å; V25-V27 VanDerWaalsContact C-N 3.33Å; V25-V27 PolarHBondContact O-N 3.44Å; V27-F29 VanDerWaalsContact C-N 3.32Å; V27-F29 PolarHBondContact O-N 2.96Å; V27-I30 PolarHBondContact O-N 3.28Å; V27-L31 HydrophobicContact CG1-CD1 4.19Å; V27-L31 WeakPolarHBondContact O-CG 3.4Å; V27-L31 PolarHBondContact O-N 3.25Å; V27-Y65 WeakPolarHBondContact CA-OH 3.28Å; V27-Y65 HydrophobicContact CG1-CE1 4.42Å; V27-N156 HydrophobicContact CG2-CB 3.7Å
28A97.8Very high95Very high57 Ų5767.7 Ų67.747%0.47134%0.344SS..Hα-helixtrans-61.8-39.8176.400000111.8W24 V25 L31 A32W24-A28 WeakPolarHBondContact O-CB 3.08Å; W24-A28 PolarHBondContact O-N 3.39Å; V25-A28 PolarHBondContact O-N 3.4Å; A28-L31 PolarHBondContact O-N 3.29Å; A28-A32 WeakPolarHBondContact O-CB 3.33Å; A28-A32 PolarHBondContact O-N 2.99Å
29F97.8Very high95.1Very high107 Ų10770.9 Ų70.947%0.46935%0.35SS..Hα-helixtrans-60.7-49.7175.1176.2-96.6000111.9V25 P26 V27 L31 A32 V33 W154V25-F29 WeakPolarHBondContact O-CB 3.4Å; V25-F29 PolarHBondContact O-N 3.36Å; P26-F29 PolarHBondContact O-N 3.11Å; V27-F29 VanDerWaalsContact C-N 3.32Å; V27-F29 PolarHBondContact O-N 2.96Å; F29-L31 VanDerWaalsContact C-N 3.33Å; F29-L31 PolarHBondContact O-N 2.93Å; F29-A32 PolarHBondContact O-N 2.93Å; F29-V33 HydrophobicContact CD1-CG2 4.38Å; F29-V33 HydrophobicContact CE1-CG2 3.96Å; F29-V33 HydrophobicContact CE2-CG2 4.21Å; F29-V33 HydrophobicContact CZ-CG2 3.87Å; F29-V33 WeakPolarHBondContact O-CG2 3.09Å; F29-V33 PolarHBondContact O-N 3.43Å; F29-W154 HydrophobicContact CD1-CZ3 4.01Å; F29-W154 HydrophobicContact CE1-CZ3 4.47Å
30I97.2Very high95.3Very high19 Ų1966.8 Ų66.810%0.09733%0.329CS..Hα-helixtrans-59.9-44.4177.3-66.4-64000110.8P26 V27 A32 V33 V34 Y65 W154 F217P26-I30 WeakPolarHBondContact O-CG1 3.35Å; P26-I30 PolarHBondContact O-N 2.99Å; V27-I30 PolarHBondContact O-N 3.28Å; I30-A32 VanDerWaalsContact C-N 3.34Å; I30-A32 PolarHBondContact O-N 3.3Å; I30-V33 PolarHBondContact O-N 2.93Å; I30-V34 HydrophobicContact CG2-CG2 4.35Å; I30-V34 WeakPolarHBondContact O-CG2 3.37Å; I30-V34 PolarHBondContact O-N 3.07Å; I30-Y65 HydrophobicContact CG2-CE1 4.19Å; I30-Y65 HydrophobicContact CG2-CE2 4.31Å; I30-W154 HydrophobicContact CD1-CE3 3.98Å; I30-W154 HydrophobicContact CD1-CZ3 4.29Å; I30-W154 HydrophobicContact CG1-CE3 3.9Å; I30-W154 HydrophobicContact CG1-CZ3 4.46Å; I30-F217 HydrophobicContact CD1-CE1 4.26Å; I30-F217 HydrophobicContact CD1-CZ 4.35Å
31L97.9Very high95.4Very high69 Ų6963.8 Ų63.836%0.36132%0.315SS..Hα-helixtrans-63-39.7177.2-68.5175000112V27 A28 F29 V34 M35 Y65V27-L31 HydrophobicContact CG1-CD1 4.19Å; V27-L31 WeakPolarHBondContact O-CG 3.4Å; V27-L31 PolarHBondContact O-N 3.25Å; A28-L31 PolarHBondContact O-N 3.29Å; F29-L31 VanDerWaalsContact C-N 3.33Å; F29-L31 PolarHBondContact O-N 2.93Å; L31-V34 PolarHBondContact O-N 3.37Å; L31-M35 WeakPolarHBondContact O-CB 3.23Å; L31-M35 WeakPolarHBondContact O-CE 3.49Å; L31-M35 VanDerWaalsContact O-CG 3.25Å; L31-M35 WeakPolarHBondContact O-CG 3.5Å; L31-M35 PolarHBondContact O-N 2.95Å; L31-Y65 HydrophobicContact CD2-CD1 4.26Å; L31-Y65 HydrophobicContact CD2-CE1 3.88Å; L31-Y65 HydrophobicContact CG-CE1 4.21Å
32A97.7Very high95.3Very high48 Ų4859.9 Ų59.940%0.39730%0.296SS..Hα-helixtrans-63.2-44.4175.900000112.2A28 F29 I30 V34 M35 W36A28-A32 WeakPolarHBondContact O-CB 3.33Å; A28-A32 PolarHBondContact O-N 2.99Å; F29-A32 PolarHBondContact O-N 2.93Å; I30-A32 VanDerWaalsContact C-N 3.34Å; I30-A32 PolarHBondContact O-N 3.3Å; A32-V34 VanDerWaalsContact C-N 3.35Å; A32-V34 PolarHBondContact O-N 3Å; A32-M35 HydrophobicContact CB-CE 4.48Å; A32-M35 PolarHBondContact O-N 3.46Å; A32-W36 WeakPolarHBondContact O-CB 3.39Å; A32-W36 PolarHBondContact O-N 3.4Å
33V97.1Very high94.6Very high31 Ų3156.8 Ų56.819%0.18829%0.288CS..Hα-helixtrans-61.8-43.6175172.90000110.7F29 I30 W36 S37 V213 F217F29-V33 HydrophobicContact CD1-CG2 4.38Å; F29-V33 HydrophobicContact CE1-CG2 3.96Å; F29-V33 HydrophobicContact CE2-CG2 4.21Å; F29-V33 HydrophobicContact CZ-CG2 3.87Å; F29-V33 WeakPolarHBondContact O-CG2 3.09Å; F29-V33 PolarHBondContact O-N 3.43Å; I30-V33 PolarHBondContact O-N 2.93Å; V33-W36 PolarHBondContact O-N 3.38Å; V33-S37 VanDerWaalsContact O-CB 3.29Å; V33-S37 WeakPolarHBondContact O-CB 3.19Å; V33-S37 PolarHBondContact O-N 2.86Å; V33-S37 PolarHBondContact O-OG 3.06Å; V33-V213 HydrophobicContact CG1-CG1 4.13Å; V33-F217 HydrophobicContact CG1-CE2 4.13Å
34V97.1Very high93.6Very high19 Ų1954.6 Ų54.612%0.11528%0.284CS..Hα-helixtrans-64.6-45.3178.2173.20000111.1I30 L31 A32 S37 Y38 L58 F61 L62I30-V34 HydrophobicContact CG2-CG2 4.35Å; I30-V34 WeakPolarHBondContact O-CG2 3.37Å; I30-V34 PolarHBondContact O-N 3.07Å; L31-V34 PolarHBondContact O-N 3.37Å; A32-V34 VanDerWaalsContact C-N 3.35Å; A32-V34 PolarHBondContact O-N 3Å; V34-S37 WeakPolarHBondContact CA-OG 3.34Å; V34-S37 PolarHBondContact O-N 3.05Å; V34-S37 PolarHBondContact O-OG 2.91Å; V34-Y38 WeakPolarHBondContact O-CB 3.37Å; V34-Y38 PolarHBondContact O-N 3.39Å; V34-L58 HydrophobicContact CG1-CD1 3.77Å; V34-F61 HydrophobicContact CG1-CE1 4.25Å; V34-F61 HydrophobicContact CG2-CE1 3.66Å; V34-F61 HydrophobicContact CG2-CZ 4.01Å; V34-L62 HydrophobicContact CG1-CD2 4.14Å
35M96.1Very high92.3Very high128 Ų12850 Ų5063%0.63127%0.267SS*.Hα-helixtrans-61.5-44.6176.5-74-175.4-64.100112.3L31 A32 Y38 Y39L31-M35 WeakPolarHBondContact O-CB 3.23Å; L31-M35 WeakPolarHBondContact O-CE 3.49Å; L31-M35 VanDerWaalsContact O-CG 3.25Å; L31-M35 WeakPolarHBondContact O-CG 3.5Å; L31-M35 PolarHBondContact O-N 2.95Å; A32-M35 HydrophobicContact CB-CE 4.48Å; A32-M35 PolarHBondContact O-N 3.46Å; M35-Y38 WeakPolarHBondContact O-CB 3.09Å; M35-Y38 PolarHBondContact O-N 3.32Å; M35-Y39 PolarHBondContact O-N 3.01Å
36W95.3Very high90.7Very high74 Ų7452.1 Ų52.128%0.2828%0.284SS..Hα-helixtrans-63.3-43174.4164.981.1000111.6A32 V33 Y38 Y39 A40 H206 F209 L210 V213A32-W36 WeakPolarHBondContact O-CB 3.39Å; A32-W36 PolarHBondContact O-N 3.4Å; V33-W36 PolarHBondContact O-N 3.38Å; W36-Y38 VanDerWaalsContact C-N 3.27Å; W36-Y38 PolarHBondContact O-N 2.9Å; W36-Y39 PolarHBondContact O-N 3.36Å; W36-A40 WeakPolarHBondContact O-CB 3.41Å; W36-A40 PolarHBondContact O-N 3.42Å; W36-H206 AromaticContact NE1-CE1 3.69Å; W36-H206 AromaticContact NE1-ND1 3.26Å; W36-H206 PolarHBondContact NE1-ND1 2.91Å; W36-F209 HydrophobicContact CH2-CB 3.84Å; W36-F209 HydrophobicContact CZ2-CB 3.7Å; W36-L210 HydrophobicContact CH2-CB 4.35Å; W36-L210 HydrophobicContact CZ3-CD1 4.33Å; W36-V213 HydrophobicContact CH2-CB 4.36Å; W36-V213 HydrophobicContact CH2-CG2 4Å; W36-V213 HydrophobicContact CZ3-CB 4.11Å; W36-V213 HydrophobicContact CZ3-CG1 4.13Å; W36-V213 HydrophobicContact CZ3-CG2 3.99Å
37S94.5Very high89.3Confident11 Ų1155 Ų558%0.07730%0.297CS..Hα-helixtrans-62.7-36177.7780000111.9V33 V34 Y41V33-S37 VanDerWaalsContact O-CB 3.29Å; V33-S37 WeakPolarHBondContact O-CB 3.19Å; V33-S37 PolarHBondContact O-N 2.86Å; V33-S37 PolarHBondContact O-OG 3.06Å; V34-S37 WeakPolarHBondContact CA-OG 3.34Å; V34-S37 PolarHBondContact O-N 3.05Å; V34-S37 PolarHBondContact O-OG 2.91Å; S37-Y41 WeakPolarHBondContact O-CB 3.26Å; S37-Y41 PolarHBondContact O-N 3.26Å
38Y94.5Very high88.4Confident97 Ų9760 Ų6038%0.3833%0.328SS..Hα-helixtrans-63.7-50.1174176.1-88.8000111V34 M35 W36 A40 Y41 V42 Y54 H55 L58V34-Y38 WeakPolarHBondContact O-CB 3.37Å; V34-Y38 PolarHBondContact O-N 3.39Å; M35-Y38 WeakPolarHBondContact O-CB 3.09Å; M35-Y38 PolarHBondContact O-N 3.32Å; W36-Y38 VanDerWaalsContact C-N 3.27Å; W36-Y38 PolarHBondContact O-N 2.9Å; Y38-A40 PolarHBondContact O-N 3.45Å; Y38-Y41 PolarHBondContact O-N 3.1Å; Y38-V42 HydrophobicContact CD1-CG2 4.29Å; Y38-V42 HydrophobicContact CD2-CG2 4.04Å; Y38-V42 HydrophobicContact CE1-CG2 4.04Å; Y38-V42 HydrophobicContact CE2-CG2 3.78Å; Y38-V42 HydrophobicContact CG-CG2 4.28Å; Y38-V42 VanDerWaalsContact O-CB 3.31Å; Y38-V42 WeakPolarHBondContact O-CB 3.45Å; Y38-V42 WeakPolarHBondContact O-CG2 3.16Å; Y38-V42 PolarHBondContact O-N 2.95Å; Y38-Y54 VanDerWaalsContact CA-OH 3.3Å; Y38-Y54 WeakPolarHBondContact CA-OH 3.45Å; Y38-Y54 AromaticContact CD2-CE1 3.77Å; Y38-Y54 HydrophobicContact CD2-CE1 3.77Å; Y38-Y54 HydrophobicContact CE2-CE1 4.3Å; Y38-H55 AromaticContact CE2-NE2 3.57Å; Y38-H55 AromaticContact CZ-NE2 3.94Å; Y38-H55 PolarHBondContact OH-NE2 2.9Å; Y38-L58 HydrophobicContact CD2-CD2 3.5Å; Y38-L58 VanDerWaalsContact CD2-CD2 3.5Å; Y38-L58 HydrophobicContact CE2-CD2 4.11Å; Y38-L58 HydrophobicContact CG-CD2 4.47Å
39Y92Very high87.9Confident128 Ų12864 Ų6450%0.50234%0.335SS..Hα-helixtrans-56.9-51.1175.4171-97.7000111.6M35 W36 Y41 V43 H206M35-Y39 PolarHBondContact O-N 3.01Å; W36-Y39 PolarHBondContact O-N 3.36Å; Y39-Y41 PolarHBondContact O-N 3.09Å; Y39-V43 HydrophobicContact CD2-CG2 3.94Å; Y39-V43 HydrophobicContact CE2-CG2 3.69Å; Y39-V43 VanDerWaalsContact O-CB 3.28Å; Y39-V43 WeakPolarHBondContact O-CB 3.24Å; Y39-V43 VanDerWaalsContact O-CG2 3.22Å; Y39-V43 WeakPolarHBondContact O-CG2 3.41Å; Y39-V43 PolarHBondContact O-N 2.9Å; Y39-H206 AromaticContact CE1-CE1 3.91Å; Y39-H206 AromaticContact CE1-NE2 3.89Å
40A90.3Very high87.5Confident2 Ų262.1 Ų62.12%0.01733%0.329CS..Hα-helixtrans-60-47.1-179.500000111.8W36 Y38 A44 H206 L210W36-A40 WeakPolarHBondContact O-CB 3.41Å; W36-A40 PolarHBondContact O-N 3.42Å; Y38-A40 PolarHBondContact O-N 3.45Å; A40-A44 WeakPolarHBondContact O-CB 3.5Å; A40-A44 PolarHBondContact O-N 3.01Å; A40-H206 HydrophobicContact CB-CB 4Å; A40-L210 HydrophobicContact CB-CB 4.49Å; A40-L210 HydrophobicContact CB-CD2 4.09Å
41Y90.6Very high87.2Confident1 Ų163.4 Ų63.40%0.00434%0.335CS..Hα-helixtrans-68.1-45.8-177.5-166.1-92.6000112.2S37 Y38 Y39 A44 L45 Y54 F180 I181 T184 L210S37-Y41 WeakPolarHBondContact O-CB 3.26Å; S37-Y41 PolarHBondContact O-N 3.26Å; Y38-Y41 PolarHBondContact O-N 3.1Å; Y39-Y41 PolarHBondContact O-N 3.09Å; Y41-A44 PolarHBondContact O-N 3.47Å; Y41-L45 HydrophobicContact CD1-CD1 4.21Å; Y41-L45 HydrophobicContact CD2-CD1 3.88Å; Y41-L45 HydrophobicContact CE1-CD1 3.71Å; Y41-L45 HydrophobicContact CE2-CD1 3.35Å; Y41-L45 HydrophobicContact CG-CD1 4.28Å; Y41-L45 WeakPolarHBondContact O-CB 3.36Å; Y41-L45 PolarHBondContact O-N 2.94Å; Y41-L45 VanDerWaalsContact O-N 3.07Å; Y41-L45 WeakPolarHBondContact OH-CD1 3.29Å; Y41-Y54 AromaticContact CD1-CD1 3.7Å; Y41-Y54 HydrophobicContact CD1-CD1 3.7Å; Y41-Y54 AromaticContact CD1-CD2 3.54Å; Y41-Y54 HydrophobicContact CD1-CD2 3.54Å; Y41-Y54 AromaticContact CD1-CE1 3.91Å; Y41-Y54 HydrophobicContact CD1-CE1 3.91Å; Y41-Y54 AromaticContact CD1-CE2 3.77Å; Y41-Y54 HydrophobicContact CD1-CE2 3.77Å; Y41-Y54 AromaticContact CD1-CG 3.51Å; Y41-Y54 HydrophobicContact CD1-CG 3.51Å; Y41-Y54 AromaticContact CD1-CZ 3.97Å; Y41-Y54 HydrophobicContact CD2-CD2 4.43Å; Y41-Y54 HydrophobicContact CD2-CE2 4.34Å; Y41-Y54 HydrophobicContact CE1-CD1 4.04Å; Y41-Y54 AromaticContact CE1-CD2 3.52Å; Y41-Y54 HydrophobicContact CE1-CD2 3.52Å; Y41-Y54 HydrophobicContact CE1-CE2 4.2Å; Y41-Y54 AromaticContact CE1-CG 3.43Å; Y41-Y54 HydrophobicContact CE1-CG 3.43Å; Y41-Y54 VanDerWaalsContact CE1-CG 3.43Å; Y41-Y54 HydrophobicContact CE2-CD2 4.4Å; Y41-Y54 HydrophobicContact CG-CD2 4.03Å; Y41-Y54 HydrophobicContact CG-CE1 4.45Å; Y41-Y54 AromaticContact CG-CE2 3.85Å; Y41-Y54 HydrophobicContact CG-CE2 3.85Å; Y41-Y54 HydrophobicContact CG-CG 4.41Å; Y41-Y54 AromaticContact CZ-CD2 3.98Å; Y41-F180 HydrophobicContact CE1-CE1 4.43Å; Y41-F180 AromaticContact CZ-CE1 3.89Å; Y41-F180 WeakPolarHBondContact OH-CE1 3.18Å; Y41-I181 HydrophobicContact CD2-CG1 4.05Å; Y41-I181 HydrophobicContact CD2-CG2 4.19Å; Y41-I181 HydrophobicContact CE2-CB 4.4Å; Y41-I181 HydrophobicContact CE2-CG1 4.08Å; Y41-I181 HydrophobicContact CE2-CG2 4.4Å; Y41-T184 VanDerWaalsContact CE2-OG1 3.24Å; Y41-T184 WeakPolarHBondContact CE2-OG1 3.12Å; Y41-T184 WeakPolarHBondContact OH-CB 3.32Å; Y41-T184 PolarHBondContact OH-OG1 2.94Å; Y41-L210 HydrophobicContact CD2-CD2 3.9Å; Y41-L210 HydrophobicContact CG-CD2 4.46Å
42V88.6Confident86.9Confident45 Ų4565.7 Ų65.727%0.27335%0.347SS..Hα-helixtrans-69.3-38.2-178.3176.20000111.6Y38 L51 Y54Y38-V42 HydrophobicContact CD1-CG2 4.29Å; Y38-V42 HydrophobicContact CD2-CG2 4.04Å; Y38-V42 HydrophobicContact CE1-CG2 4.04Å; Y38-V42 HydrophobicContact CE2-CG2 3.78Å; Y38-V42 HydrophobicContact CG-CG2 4.28Å; Y38-V42 VanDerWaalsContact O-CB 3.31Å; Y38-V42 WeakPolarHBondContact O-CB 3.45Å; Y38-V42 WeakPolarHBondContact O-CG2 3.16Å; Y38-V42 PolarHBondContact O-N 2.95Å; V42-L51 HydrophobicContact CG2-CD1 3.98Å; V42-Y54 HydrophobicContact CG2-CE1 4.42Å
43V79.5Confident86.7Confident71 Ų7165.1 Ų65.143%0.4334%0.34SS..Hα-helixtrans-71.2-33.5175.8173.20000111.6Y39 T203Y39-V43 HydrophobicContact CD2-CG2 3.94Å; Y39-V43 HydrophobicContact CE2-CG2 3.69Å; Y39-V43 VanDerWaalsContact O-CB 3.28Å; Y39-V43 WeakPolarHBondContact O-CB 3.24Å; Y39-V43 VanDerWaalsContact O-CG2 3.22Å; Y39-V43 WeakPolarHBondContact O-CG2 3.41Å; Y39-V43 PolarHBondContact O-N 2.9Å; V43-T203 HydrophobicContact CG1-CG2 4.5Å
44A71.9Confident86.6Confident17 Ų1763.7 Ų63.714%0.1433%0.331CS..Hα-helixtrans-75.4-32.4-179.700000114A40 Y41 I207A40-A44 WeakPolarHBondContact O-CB 3.5Å; A40-A44 PolarHBondContact O-N 3.01Å; Y41-A44 PolarHBondContact O-N 3.47Å; A44-I207 HydrophobicContact CB-CD1 3.77Å; A44-I207 HydrophobicContact CB-CG1 3.55Å
45L70.1Confident86.6Confident8 Ų866.1 Ų66.14%0.04234%0.341CS..  trans-118.1103.4-167.1-84.4160.1000113.2Y41 L47 H188Y41-L45 HydrophobicContact CD1-CD1 4.21Å; Y41-L45 HydrophobicContact CD2-CD1 3.88Å; Y41-L45 HydrophobicContact CE1-CD1 3.71Å; Y41-L45 HydrophobicContact CE2-CD1 3.35Å; Y41-L45 HydrophobicContact CG-CD1 4.28Å; Y41-L45 WeakPolarHBondContact O-CB 3.36Å; Y41-L45 PolarHBondContact O-N 2.94Å; Y41-L45 VanDerWaalsContact O-N 3.07Å; Y41-L45 WeakPolarHBondContact OH-CD1 3.29Å; L45-L47 PolarHBondContact O-N 2.91Å; L45-H188 WeakPolarHBondContact CD2-CE1 3.29Å
46C63Low86.5Confident126 Ų12662.6 Ų62.685%0.85133%0.332SS*.  trans-79.910173.9-65.90000114.8
47L68.5Low86.6Confident89 Ų8960.8 Ų60.847%0.46633%0.327SS..  trans-91116.5-177-65.5178.5000111.6L45 F49 L51L45-L47 PolarHBondContact O-N 2.91Å; L47-F49 PolarHBondContact O-N 2.99Å; L47-L51 WeakPolarHBondContact O-CB 3.35Å; L47-L51 PolarHBondContact O-N 3.37Å; L47-L51 VanDerWaalsContact O-N 3.13Å
48T78.6Confident86.8Confident114 Ų11460.9 Ų60.970%0.69933%0.327SS*.Hα-helixtrans-61.1-41.3-173.354.30000113.9L51 I52T48-L51 WeakPolarHBondContact O-CB 3.2Å; T48-L51 PolarHBondContact O-N 3.13Å; T48-I52 WeakPolarHBondContact O-CG1 3.5Å; T48-I52 PolarHBondContact O-N 2.94Å; T48-I52 VanDerWaalsContact O-N 3.1Å
49F87.8Confident86.9Confident139 Ų13962 Ų6261%0.6134%0.339SS*.Hα-helixtrans-68.4-48-178.4-178.1-101.1000113L47 L51 I52 C53L47-F49 PolarHBondContact O-N 2.99Å; F49-L51 PolarHBondContact O-N 2.85Å; F49-I52 PolarHBondContact O-N 3.5Å; F49-I52 VanDerWaalsContact O-N 3.1Å; F49-C53 PolarHBondContact O-N 2.98Å; F49-C53 VanDerWaalsContact O-N 3.09Å
50M89.2Confident87.2Confident69 Ų6957.3 Ų57.334%0.3432%0.324SS..Hα-helixtrans-62.5-33.1177.7-66.9-59.7178.900111.5C53 Y54 F180 T184M50-C53 PolarHBondContact O-N 2.95Å; M50-Y54 VanDerWaalsContact O-CB 3.26Å; M50-Y54 WeakPolarHBondContact O-CB 3.26Å; M50-Y54 PolarHBondContact O-N 3.39Å; M50-F180 HydrophobicContact CB-CZ 4.41Å; M50-F180 WeakPolarHBondContact O-CZ 3.28Å; M50-F180 HydrophobicContact SD-CE2 4.22Å; M50-F180 HydrophobicContact SD-CZ 4.01Å; M50-T184 HydrophobicContact SD-CG2 3.96Å
51L90.9Very high87.6Confident46 Ų4657.8 Ų57.824%0.24133%0.326CS..Hα-helixtrans-65.5-41.7174.9-166.664.1000111.6V42 L47 T48 F49 Y54 H55V42-L51 HydrophobicContact CG2-CD1 3.98Å; L47-L51 WeakPolarHBondContact O-CB 3.35Å; L47-L51 PolarHBondContact O-N 3.37Å; L47-L51 VanDerWaalsContact O-N 3.13Å; T48-L51 WeakPolarHBondContact O-CB 3.2Å; T48-L51 PolarHBondContact O-N 3.13Å; F49-L51 PolarHBondContact O-N 2.85Å; L51-Y54 WeakPolarHBondContact O-CB 3.11Å; L51-Y54 PolarHBondContact O-N 3.45Å; L51-H55 VanDerWaalsContact CD1-CE1 3.46Å; L51-H55 WeakPolarHBondContact CD1-CE1 3.26Å; L51-H55 PolarHBondContact O-N 3.34Å; L51-H55 PolarHBondContact O-ND1 3.46Å
52I92.5Very high88Confident116 Ų11660.9 Ų60.960%0.59534%0.342SS*.Hα-helixtrans-61.9-48175.3-67.3163.6000110.7T48 F49 Y54 H55 A56T48-I52 WeakPolarHBondContact O-CG1 3.5Å; T48-I52 PolarHBondContact O-N 2.94Å; T48-I52 VanDerWaalsContact O-N 3.1Å; F49-I52 PolarHBondContact O-N 3.5Å; F49-I52 VanDerWaalsContact O-N 3.1Å; I52-Y54 VanDerWaalsContact C-N 3.34Å; I52-Y54 PolarHBondContact O-N 3.37Å; I52-H55 PolarHBondContact O-N 2.86Å; I52-A56 PolarHBondContact O-N 3.5Å
53C93.5Very high88.4Confident37 Ų3763.2 Ų63.225%0.2535%0.346CS..Hα-helixtrans-60.4-43176.9-67.10000112.1F49 M50 A56 L57 F180F49-C53 PolarHBondContact O-N 2.98Å; F49-C53 VanDerWaalsContact O-N 3.09Å; M50-C53 PolarHBondContact O-N 2.95Å; C53-A56 PolarHBondContact O-N 2.81Å; C53-L57 WeakPolarHBondContact O-CG 3.24Å; C53-L57 PolarHBondContact O-N 3.3Å; C53-F180 HydrophobicContact CB-CE2 3.88Å; C53-F180 HydrophobicContact CB-CZ 3.71Å
54Y94.8Very high89.3Confident0 Ų059.9 Ų59.90%033%0.325CS..Hα-helixtrans-58.1-50175.9177.7-104.6000111.8Y38 Y41 V42 M50 L51 I52 A56 L57 L58 L177 F180 I181Y38-Y54 VanDerWaalsContact CA-OH 3.3Å; Y38-Y54 WeakPolarHBondContact CA-OH 3.45Å; Y38-Y54 AromaticContact CD2-CE1 3.77Å; Y38-Y54 HydrophobicContact CD2-CE1 3.77Å; Y38-Y54 HydrophobicContact CE2-CE1 4.3Å; Y41-Y54 AromaticContact CD1-CD1 3.7Å; Y41-Y54 HydrophobicContact CD1-CD1 3.7Å; Y41-Y54 AromaticContact CD1-CD2 3.54Å; Y41-Y54 HydrophobicContact CD1-CD2 3.54Å; Y41-Y54 AromaticContact CD1-CE1 3.91Å; Y41-Y54 HydrophobicContact CD1-CE1 3.91Å; Y41-Y54 AromaticContact CD1-CE2 3.77Å; Y41-Y54 HydrophobicContact CD1-CE2 3.77Å; Y41-Y54 AromaticContact CD1-CG 3.51Å; Y41-Y54 HydrophobicContact CD1-CG 3.51Å; Y41-Y54 AromaticContact CD1-CZ 3.97Å; Y41-Y54 HydrophobicContact CD2-CD2 4.43Å; Y41-Y54 HydrophobicContact CD2-CE2 4.34Å; Y41-Y54 HydrophobicContact CE1-CD1 4.04Å; Y41-Y54 AromaticContact CE1-CD2 3.52Å; Y41-Y54 HydrophobicContact CE1-CD2 3.52Å; Y41-Y54 HydrophobicContact CE1-CE2 4.2Å; Y41-Y54 AromaticContact CE1-CG 3.43Å; Y41-Y54 HydrophobicContact CE1-CG 3.43Å; Y41-Y54 VanDerWaalsContact CE1-CG 3.43Å; Y41-Y54 HydrophobicContact CE2-CD2 4.4Å; Y41-Y54 HydrophobicContact CG-CD2 4.03Å; Y41-Y54 HydrophobicContact CG-CE1 4.45Å; Y41-Y54 AromaticContact CG-CE2 3.85Å; Y41-Y54 HydrophobicContact CG-CE2 3.85Å; Y41-Y54 HydrophobicContact CG-CG 4.41Å; Y41-Y54 AromaticContact CZ-CD2 3.98Å; V42-Y54 HydrophobicContact CG2-CE1 4.42Å; M50-Y54 VanDerWaalsContact O-CB 3.26Å; M50-Y54 WeakPolarHBondContact O-CB 3.26Å; M50-Y54 PolarHBondContact O-N 3.39Å; L51-Y54 WeakPolarHBondContact O-CB 3.11Å; L51-Y54 PolarHBondContact O-N 3.45Å; I52-Y54 VanDerWaalsContact C-N 3.34Å; I52-Y54 PolarHBondContact O-N 3.37Å; Y54-A56 VanDerWaalsContact C-N 3.34Å; Y54-A56 PolarHBondContact O-N 3.43Å; Y54-L57 PolarHBondContact O-N 3.35Å; Y54-L58 HydrophobicContact CE1-CD2 3.97Å; Y54-L58 VanDerWaalsContact O-CB 3.28Å; Y54-L58 WeakPolarHBondContact O-CB 3.46Å; Y54-L58 PolarHBondContact O-N 2.64Å; Y54-L177 HydrophobicContact CD2-CD1 3.95Å; Y54-L177 HydrophobicContact CE2-CD1 3.78Å; Y54-F180 HydrophobicContact CD2-CD1 4.35Å; Y54-F180 HydrophobicContact CD2-CE1 4.32Å; Y54-I181 HydrophobicContact CD2-CG1 4.36Å; Y54-I181 HydrophobicContact CE2-CD1 3.99Å; Y54-I181 HydrophobicContact CE2-CG1 3.98Å
55H95.4Very high90.6Very high70 Ų7059.4 Ų59.432%0.32432%0.32SS..Hα-helixtrans-62.6-40.3179.1-77.585.1000112Y38 L51 I52 L58 L59Y38-H55 AromaticContact CE2-NE2 3.57Å; Y38-H55 AromaticContact CZ-NE2 3.94Å; Y38-H55 PolarHBondContact OH-NE2 2.9Å; L51-H55 VanDerWaalsContact CD1-CE1 3.46Å; L51-H55 WeakPolarHBondContact CD1-CE1 3.26Å; L51-H55 PolarHBondContact O-N 3.34Å; L51-H55 PolarHBondContact O-ND1 3.46Å; I52-H55 PolarHBondContact O-N 2.86Å; H55-L58 PolarHBondContact O-N 2.92Å; H55-L59 VanDerWaalsContact O-CB 3.26Å; H55-L59 WeakPolarHBondContact O-CB 3.43Å; H55-L59 PolarHBondContact O-N 2.85Å
56A95.9Very high91.9Very high54 Ų5466.5 Ų66.545%0.44635%0.346SS..Hα-helixtrans-61.7-46.5176.200000111.7I52 C53 Y54 L59 V60I52-A56 PolarHBondContact O-N 3.5Å; C53-A56 PolarHBondContact O-N 2.81Å; Y54-A56 VanDerWaalsContact C-N 3.34Å; Y54-A56 PolarHBondContact O-N 3.43Å; A56-L59 PolarHBondContact O-N 3.46Å; A56-V60 WeakPolarHBondContact O-CG2 3.49Å; A56-V60 PolarHBondContact O-N 2.83Å
57L97Very high93.6Very high36 Ų3662.5 Ų62.519%0.18832%0.315CS..Hα-helixtrans-64.7-44.1176.5-74.9173.9000112.2C53 Y54 L59 V60 F61 L176 L177 F180C53-L57 WeakPolarHBondContact O-CG 3.24Å; C53-L57 PolarHBondContact O-N 3.3Å; Y54-L57 PolarHBondContact O-N 3.35Å; L57-L59 VanDerWaalsContact C-N 3.33Å; L57-L59 PolarHBondContact O-N 2.79Å; L57-V60 WeakPolarHBondContact O-CG2 3.4Å; L57-V60 PolarHBondContact O-N 3.35Å; L57-F61 VanDerWaalsContact O-CB 3.26Å; L57-F61 WeakPolarHBondContact O-CB 3.18Å; L57-F61 PolarHBondContact O-N 2.76Å; L57-L176 HydrophobicContact CD2-CB 4.27Å; L57-L177 HydrophobicContact CB-CD1 4.15Å; L57-F180 HydrophobicContact CD1-CB 3.81Å; L57-F180 HydrophobicContact CD1-CD1 4.23Å; L57-F180 HydrophobicContact CD1-CD2 3.94Å; L57-F180 HydrophobicContact CD1-CG 3.73Å
58L97.5Very high95Very high14 Ų1458.2 Ų58.27%0.07329%0.293CS..Hα-helixtrans-62.5-41.1178-178.564.1000111.4V34 Y38 Y54 H55 F61 L62 L177V34-L58 HydrophobicContact CG1-CD1 3.77Å; Y38-L58 HydrophobicContact CD2-CD2 3.5Å; Y38-L58 VanDerWaalsContact CD2-CD2 3.5Å; Y38-L58 HydrophobicContact CE2-CD2 4.11Å; Y38-L58 HydrophobicContact CG-CD2 4.47Å; Y54-L58 HydrophobicContact CE1-CD2 3.97Å; Y54-L58 VanDerWaalsContact O-CB 3.28Å; Y54-L58 WeakPolarHBondContact O-CB 3.46Å; Y54-L58 PolarHBondContact O-N 2.64Å; H55-L58 PolarHBondContact O-N 2.92Å; L58-F61 HydrophobicContact CD1-CD1 4.18Å; L58-F61 PolarHBondContact O-N 2.85Å; L58-L62 HydrophobicContact CD1-CD1 4.08Å; L58-L62 HydrophobicContact CD1-CG 4.1Å; L58-L62 HydrophobicContact CG-CD1 3.95Å; L58-L62 HydrophobicContact CG-CG 4.35Å; L58-L62 WeakPolarHBondContact O-CB 3.19Å; L58-L62 WeakPolarHBondContact O-CG 3.4Å; L58-L62 PolarHBondContact O-N 3.43Å; L58-L177 HydrophobicContact CD1-CD2 4.09Å
59L97.9Very high95.9Very high120 Ų12053.2 Ų53.263%0.62826%0.262SS*.Hα-helixtrans-61.3-49.5177.9-177.172.7000111.4H55 A56 L57 F61 L62 W63H55-L59 VanDerWaalsContact O-CB 3.26Å; H55-L59 WeakPolarHBondContact O-CB 3.43Å; H55-L59 PolarHBondContact O-N 2.85Å; A56-L59 PolarHBondContact O-N 3.46Å; L57-L59 VanDerWaalsContact C-N 3.33Å; L57-L59 PolarHBondContact O-N 2.79Å; L59-F61 VanDerWaalsContact C-N 3.35Å; L59-L62 PolarHBondContact O-N 3.1Å; L59-W63 VanDerWaalsContact O-CB 3.28Å; L59-W63 WeakPolarHBondContact O-CB 3.36Å; L59-W63 PolarHBondContact O-N 2.85Å
60V97.8Very high96.4Very high30 Ų3051.5 Ų51.518%0.18225%0.254CS..Hα-helixtrans-70.1-32.3179.9-62.70000112.4A56 L57 S64 Y173A56-V60 WeakPolarHBondContact O-CG2 3.49Å; A56-V60 PolarHBondContact O-N 2.83Å; L57-V60 WeakPolarHBondContact O-CG2 3.4Å; L57-V60 PolarHBondContact O-N 3.35Å; V60-S64 WeakPolarHBondContact O-CB 3.2Å; V60-S64 PolarHBondContact O-N 2.99Å; V60-S64 PolarHBondContact O-OG 3.26Å; V60-Y173 HydrophobicContact CB-CD1 4.31Å; V60-Y173 HydrophobicContact CB-CD2 4.24Å; V60-Y173 HydrophobicContact CB-CE1 4.16Å; V60-Y173 HydrophobicContact CB-CE2 4.05Å; V60-Y173 HydrophobicContact CB-CG 4.36Å; V60-Y173 HydrophobicContact CG2-CD1 3.44Å; V60-Y173 VanDerWaalsContact CG2-CD1 3.44Å; V60-Y173 HydrophobicContact CG2-CD2 4.16Å; V60-Y173 HydrophobicContact CG2-CE1 3.54Å; V60-Y173 HydrophobicContact CG2-CE2 4.23Å; V60-Y173 HydrophobicContact CG2-CG 3.78Å
61F98.4Very high96.6Very high12 Ų1248.3 Ų48.35%0.05324%0.239CC..Hα-helixtrans-61.5-54.3170.8165.7-98000111.2V34 L57 L58 L59 W63 S64 Y65 F170 A174 L177V34-F61 HydrophobicContact CG1-CE1 4.25Å; V34-F61 HydrophobicContact CG2-CE1 3.66Å; V34-F61 HydrophobicContact CG2-CZ 4.01Å; L57-F61 VanDerWaalsContact O-CB 3.26Å; L57-F61 WeakPolarHBondContact O-CB 3.18Å; L57-F61 PolarHBondContact O-N 2.76Å; L58-F61 HydrophobicContact CD1-CD1 4.18Å; L58-F61 PolarHBondContact O-N 2.85Å; L59-F61 VanDerWaalsContact C-N 3.35Å; F61-W63 VanDerWaalsContact C-N 3.33Å; F61-W63 PolarHBondContact O-N 3.48Å; F61-S64 PolarHBondContact O-N 3.1Å; F61-Y65 WeakPolarHBondContact O-CB 3.2Å; F61-Y65 PolarHBondContact O-N 3.03Å; F61-F170 HydrophobicContact CD2-CD2 4.2Å; F61-F170 HydrophobicContact CD2-CE2 4.39Å; F61-F170 AromaticContact CE2-CD2 3.76Å; F61-F170 HydrophobicContact CE2-CD2 3.76Å; F61-F170 AromaticContact CE2-CE2 3.52Å; F61-F170 HydrophobicContact CE2-CE2 3.52Å; F61-F170 HydrophobicContact CZ-CE2 4.01Å; F61-A174 HydrophobicContact CD2-CB 3.97Å; F61-A174 HydrophobicContact CE2-CB 3.68Å; F61-L177 HydrophobicContact CB-CD2 4.3Å; F61-L177 HydrophobicContact CD1-CD2 4.04Å; F61-L177 HydrophobicContact CG-CD2 4.02Å
62L98.5Very high96.7Very high65 Ų6554.3 Ų54.334%0.3426%0.263SS..Hα-helixtrans-62.9-38.9179.7-73.5175.4000111.7V34 L58 L59 Y65 W66V34-L62 HydrophobicContact CG1-CD2 4.14Å; L58-L62 HydrophobicContact CD1-CD1 4.08Å; L58-L62 HydrophobicContact CD1-CG 4.1Å; L58-L62 HydrophobicContact CG-CD1 3.95Å; L58-L62 HydrophobicContact CG-CG 4.35Å; L58-L62 WeakPolarHBondContact O-CB 3.19Å; L58-L62 WeakPolarHBondContact O-CG 3.4Å; L58-L62 PolarHBondContact O-N 3.43Å; L59-L62 PolarHBondContact O-N 3.1Å; L62-Y65 PolarHBondContact O-N 3.34Å; L62-W66 VanDerWaalsContact O-CB 3.24Å; L62-W66 WeakPolarHBondContact O-CB 3.12Å; L62-W66 PolarHBondContact O-N 2.99Å
63W98.4Very high96.5Very high95 Ų9551.4 Ų51.436%0.3625%0.252SS..Hα-helixtrans-63.2-46.1175.3-175.58.6000111.4L59 F61 Y65 W66 Q67 L277 P278 V279L59-W63 VanDerWaalsContact O-CB 3.28Å; L59-W63 WeakPolarHBondContact O-CB 3.36Å; L59-W63 PolarHBondContact O-N 2.85Å; F61-W63 VanDerWaalsContact C-N 3.33Å; F61-W63 PolarHBondContact O-N 3.48Å; W63-Y65 PolarHBondContact O-N 2.99Å; W63-W66 PolarHBondContact O-N 3.24Å; W63-Q67 VanDerWaalsContact O-CG 3.3Å; W63-Q67 WeakPolarHBondContact O-CG 3.14Å; W63-Q67 PolarHBondContact O-N 3.38Å; W63-L277 HydrophobicContact CZ3-CD2 4.24Å; W63-P278 HydrophobicContact CB-CG 4.26Å; W63-P278 HydrophobicContact CD2-CB 3.98Å; W63-P278 HydrophobicContact CD2-CG 3.89Å; W63-P278 HydrophobicContact CE3-CG 4.21Å; W63-P278 HydrophobicContact CG-CB 3.9Å; W63-P278 HydrophobicContact CG-CG 3.92Å; W63-P278 PolarHBondContact NE1-O 3.42Å; W63-V279 HydrophobicContact CH2-CG1 4.01Å; W63-V279 HydrophobicContact CZ2-CG1 3.65Å
64S98.4Very high96.3Very high0 Ų053.7 Ų53.70%026%0.255CS..Hα-helixtrans-63.9-41.3177.1-55.80000112.3V60 F61 Q67 T68 Y173 P278V60-S64 WeakPolarHBondContact O-CB 3.2Å; V60-S64 PolarHBondContact O-N 2.99Å; V60-S64 PolarHBondContact O-OG 3.26Å; F61-S64 PolarHBondContact O-N 3.1Å; S64-Q67 PolarHBondContact O-N 2.83Å; S64-T68 WeakPolarHBondContact O-CB 3.29Å; S64-T68 PolarHBondContact O-N 3.36Å; S64-T68 PolarHBondContact O-OG1 2.94Å; S64-Y173 WeakPolarHBondContact OG-CD2 3.28Å; S64-Y173 WeakPolarHBondContact OG-CE2 3.48Å; S64-P278 WeakPolarHBondContact OG-CG 3.39Å
65Y98.6Very high96Very high8 Ų858 Ų583%0.03128%0.277CS..Hα-helixtrans-63.5-48.9176.5-174.9-121.7000111V27 I30 L31 F61 L62 W63 Q67 T68 V69 W154 V155 F170V27-Y65 WeakPolarHBondContact CA-OH 3.28Å; V27-Y65 HydrophobicContact CG1-CE1 4.42Å; I30-Y65 HydrophobicContact CG2-CE1 4.19Å; I30-Y65 HydrophobicContact CG2-CE2 4.31Å; L31-Y65 HydrophobicContact CD2-CD1 4.26Å; L31-Y65 HydrophobicContact CD2-CE1 3.88Å; L31-Y65 HydrophobicContact CG-CE1 4.21Å; F61-Y65 WeakPolarHBondContact O-CB 3.2Å; F61-Y65 PolarHBondContact O-N 3.03Å; L62-Y65 PolarHBondContact O-N 3.34Å; W63-Y65 PolarHBondContact O-N 2.99Å; Y65-Q67 PolarHBondContact O-N 3.35Å; Y65-T68 WeakPolarHBondContact O-CB 3.03Å; Y65-T68 PolarHBondContact O-N 3.48Å; Y65-V69 HydrophobicContact CD1-CG2 4.42Å; Y65-V69 HydrophobicContact CD2-CG2 4.21Å; Y65-V69 HydrophobicContact CE1-CG2 4.18Å; Y65-V69 HydrophobicContact CE2-CG2 3.96Å; Y65-V69 HydrophobicContact CG-CG2 4.45Å; Y65-V69 WeakPolarHBondContact O-CG2 3.22Å; Y65-V69 PolarHBondContact O-N 3.09Å; Y65-W154 PolarHBondContact OH-O 3.1Å; Y65-V155 HydrophobicContact CD2-CG1 4.28Å; Y65-V155 HydrophobicContact CE2-CG1 3.89Å; Y65-F170 AromaticContact CD2-CD2 3.72Å; Y65-F170 HydrophobicContact CD2-CD2 3.72Å; Y65-F170 HydrophobicContact CD2-CE1 4.35Å; Y65-F170 AromaticContact CD2-CE2 3.42Å; Y65-F170 HydrophobicContact CD2-CE2 3.42Å; Y65-F170 VanDerWaalsContact CD2-CE2 3.42Å; Y65-F170 HydrophobicContact CD2-CG 4.3Å; Y65-F170 AromaticContact CD2-CZ 3.77Å; Y65-F170 HydrophobicContact CD2-CZ 3.77Å; Y65-F170 HydrophobicContact CE2-CE2 4.07Å; Y65-F170 HydrophobicContact CE2-CZ 4.03Å; Y65-F170 HydrophobicContact CG-CD2 4.23Å; Y65-F170 HydrophobicContact CG-CE2 4.13Å
66W98.4Very high95.7Very high157 Ų15755.1 Ų55.160%0.59527%0.265SS*.Hα-helixtrans-54.6-49.4175.3179.6-82.4000112.1L62 W63 T68 V69 F70L62-W66 VanDerWaalsContact O-CB 3.24Å; L62-W66 WeakPolarHBondContact O-CB 3.12Å; L62-W66 PolarHBondContact O-N 2.99Å; W63-W66 PolarHBondContact O-N 3.24Å; W66-T68 VanDerWaalsContact C-N 3.26Å; W66-T68 PolarHBondContact O-N 3.44Å; W66-V69 PolarHBondContact O-N 3.37Å; W66-F70 AromaticContact CD2-CD2 3.49Å; W66-F70 HydrophobicContact CD2-CD2 3.49Å; W66-F70 VanDerWaalsContact CD2-CD2 3.49Å; W66-F70 AromaticContact CD2-CE2 3.72Å; W66-F70 HydrophobicContact CD2-CE2 3.72Å; W66-F70 AromaticContact CE2-CD2 3.56Å; W66-F70 AromaticContact CE3-CD2 3.78Å; W66-F70 HydrophobicContact CE3-CD2 3.78Å; W66-F70 AromaticContact CE3-CE2 3.46Å; W66-F70 HydrophobicContact CE3-CE2 3.46Å; W66-F70 VanDerWaalsContact CE3-CE2 3.46Å; W66-F70 AromaticContact CG-CD2 3.92Å; W66-F70 HydrophobicContact CG-CD2 3.92Å; W66-F70 HydrophobicContact CG-CE2 4.46Å; W66-F70 HydrophobicContact CH2-CD2 4.17Å; W66-F70 AromaticContact CH2-CE2 3.84Å; W66-F70 HydrophobicContact CH2-CE2 3.84Å; W66-F70 HydrophobicContact CH2-CZ 4.33Å; W66-F70 AromaticContact CZ2-CD2 3.92Å; W66-F70 HydrophobicContact CZ2-CD2 3.92Å; W66-F70 HydrophobicContact CZ2-CE2 4.08Å; W66-F70 HydrophobicContact CZ2-CG 4.49Å; W66-F70 HydrophobicContact CZ3-CD2 4.11Å; W66-F70 AromaticContact CZ3-CE2 3.53Å; W66-F70 HydrophobicContact CZ3-CE2 3.53Å; W66-F70 HydrophobicContact CZ3-CZ 4.22Å; W66-F70 AromaticContact NE1-CD2 3.99Å; W66-F70 WeakPolarHBondContact O-CD2 3.39Å; W66-F70 PolarHBondContact O-N 3.47Å
67Q97.9Very high95.3Very high41 Ų4154.2 Ų54.219%0.19226%0.255CS..Hα-helixtrans-61.4-37177.8-69.6-67-33.900111.5W63 S64 Y65 S71 F166 P278W63-Q67 VanDerWaalsContact O-CG 3.3Å; W63-Q67 WeakPolarHBondContact O-CG 3.14Å; W63-Q67 PolarHBondContact O-N 3.38Å; S64-Q67 PolarHBondContact O-N 2.83Å; Y65-Q67 PolarHBondContact O-N 3.35Å; Q67-S71 WeakPolarHBondContact O-CB 2.85Å; Q67-S71 PolarHBondContact O-N 3.1Å; Q67-S71 VanDerWaalsContact O-N 3.09Å; Q67-S71 PolarHBondContact O-OG 3.29Å; Q67-F166 HydrophobicContact CB-CB 3.91Å; Q67-F166 HydrophobicContact CB-CD1 3.95Å; Q67-F166 HydrophobicContact CB-CD2 3.65Å; Q67-F166 HydrophobicContact CB-CE1 4.4Å; Q67-F166 HydrophobicContact CB-CE2 4.1Å; Q67-F166 HydrophobicContact CB-CG 3.57Å; Q67-F166 HydrophobicContact CB-CZ 4.46Å; Q67-F166 HydrophobicContact CG-CD1 4.46Å; Q67-P278 HydrophobicContact CG-CB 4.11Å
68T98.1Very high94.9Very high0 Ų058.8 Ų58.80%028%0.279CS..Hα-helixtrans-68.8-45.7178.5-53.80000112.1S64 Y65 W66 V155 N157 N163 F166 F167S64-T68 WeakPolarHBondContact O-CB 3.29Å; S64-T68 PolarHBondContact O-N 3.36Å; S64-T68 PolarHBondContact O-OG1 2.94Å; Y65-T68 WeakPolarHBondContact O-CB 3.03Å; Y65-T68 PolarHBondContact O-N 3.48Å; W66-T68 VanDerWaalsContact C-N 3.26Å; W66-T68 PolarHBondContact O-N 3.44Å; T68-V155 HydrophobicContact CG2-CB 4.19Å; T68-V155 HydrophobicContact CG2-CG1 3.85Å; T68-V155 HydrophobicContact CG2-CG2 4.21Å; T68-N157 PolarHBondContact O-ND2 2.88Å; T68-N163 PolarHBondContact O-ND2 3.48Å; T68-F166 WeakPolarHBondContact OG1-CB 3.09Å; T68-F166 PolarHBondContact OG1-O 3.44Å; T68-F167 HydrophobicContact CG2-CB 3.98Å; T68-F167 HydrophobicContact CG2-CD2 4.16Å; T68-F167 PolarHBondContact OG1-N 2.88Å
69V98.1Very high94.5Very high9 Ų964 Ų646%0.05530%0.303CS..Hα-helixtrans-64.1-52.2179.31750000111W24 Y65 W66 V155 N157W24-V69 HydrophobicContact CH2-CG1 4.07Å; W24-V69 HydrophobicContact CZ3-CG1 3.81Å; Y65-V69 HydrophobicContact CD1-CG2 4.42Å; Y65-V69 HydrophobicContact CD2-CG2 4.21Å; Y65-V69 HydrophobicContact CE1-CG2 4.18Å; Y65-V69 HydrophobicContact CE2-CG2 3.96Å; Y65-V69 HydrophobicContact CG-CG2 4.45Å; Y65-V69 WeakPolarHBondContact O-CG2 3.22Å; Y65-V69 PolarHBondContact O-N 3.09Å; W66-V69 PolarHBondContact O-N 3.37Å; V69-V155 HydrophobicContact CG2-CB 3.91Å; V69-V155 HydrophobicContact CG2-CG1 4.37Å; V69-N157 PolarHBondContact O-ND2 2.95Å
70F97.2Very high94.2Very high102 Ų10258.3 Ų58.345%0.44727%0.273SS..Hα-helixtrans-95.91.4-168.4-63.2-71.8000114.7W24 W66 K72W24-F70 AromaticContact CH2-CE1 3.8Å; W24-F70 HydrophobicContact CH2-CE1 3.8Å; W24-F70 HydrophobicContact CH2-CZ 4.3Å; W24-F70 HydrophobicContact CZ3-CE1 4.31Å; W24-F70 HydrophobicContact CZ3-CZ 4.37Å; W66-F70 AromaticContact CD2-CD2 3.49Å; W66-F70 HydrophobicContact CD2-CD2 3.49Å; W66-F70 VanDerWaalsContact CD2-CD2 3.49Å; W66-F70 AromaticContact CD2-CE2 3.72Å; W66-F70 HydrophobicContact CD2-CE2 3.72Å; W66-F70 AromaticContact CE2-CD2 3.56Å; W66-F70 AromaticContact CE3-CD2 3.78Å; W66-F70 HydrophobicContact CE3-CD2 3.78Å; W66-F70 AromaticContact CE3-CE2 3.46Å; W66-F70 HydrophobicContact CE3-CE2 3.46Å; W66-F70 VanDerWaalsContact CE3-CE2 3.46Å; W66-F70 AromaticContact CG-CD2 3.92Å; W66-F70 HydrophobicContact CG-CD2 3.92Å; W66-F70 HydrophobicContact CG-CE2 4.46Å; W66-F70 HydrophobicContact CH2-CD2 4.17Å; W66-F70 AromaticContact CH2-CE2 3.84Å; W66-F70 HydrophobicContact CH2-CE2 3.84Å; W66-F70 HydrophobicContact CH2-CZ 4.33Å; W66-F70 AromaticContact CZ2-CD2 3.92Å; W66-F70 HydrophobicContact CZ2-CD2 3.92Å; W66-F70 HydrophobicContact CZ2-CE2 4.08Å; W66-F70 HydrophobicContact CZ2-CG 4.49Å; W66-F70 HydrophobicContact CZ3-CD2 4.11Å; W66-F70 AromaticContact CZ3-CE2 3.53Å; W66-F70 HydrophobicContact CZ3-CE2 3.53Å; W66-F70 HydrophobicContact CZ3-CZ 4.22Å; W66-F70 AromaticContact NE1-CD2 3.99Å; W66-F70 WeakPolarHBondContact O-CD2 3.39Å; W66-F70 PolarHBondContact O-N 3.47Å; F70-K72 PolarHBondContact O-N 2.97Å
71S94.3Very high93.9Very high3 Ų364.7 Ų64.72%0.02129%0.294CS..  trans-60.2129.1172.6-84.20000111.6Q67 N157 N163 Y280Q67-S71 WeakPolarHBondContact O-CB 2.85Å; Q67-S71 PolarHBondContact O-N 3.1Å; Q67-S71 VanDerWaalsContact O-N 3.09Å; Q67-S71 PolarHBondContact O-OG 3.29Å; S71-N157 PolarHBondContact O-ND2 2.97Å; S71-N163 VanDerWaalsContact CB-CB 3.48Å; S71-Y280 PolarHBondContact OG-OH 3.04Å
72K92Very high93.6Very high171 Ų17164.9 Ų64.974%0.74330%0.295SS*.  trans-68.5135.6176.5-66.1-176.5-178.8179.80110.8F70 R74 H160F70-K72 PolarHBondContact O-N 2.97Å; K72-R74 PolarHBondContact O-N 3.47Å; K72-H160 PolarHBondContact O-CE1 2.76Å
73P87.6Confident93.3Very high55 Ų5564.6 Ų64.636%0.35730%0.299SS..  trans-40.7132.2165-38.342.1000113.8L75 L145 H160P73-L75 HydrophobicContact CB-CD2 4.03Å; P73-L145 HydrophobicContact CB-CD2 3.56Å; P73-L145 HydrophobicContact CG-CD2 4.27Å; P73-H160 WeakPolarHBondContact CA-NE2 3.38Å
74R89.5Confident93Very high86 Ų8663.2 Ų63.233%0.32530%0.303SS..  trans-95.6104.3170.6-63.5-62.5-176.2172.31.7108.5K72 L146 H160 F161K72-R74 PolarHBondContact O-N 3.47Å; R74-L146 HydrophobicContact CB-CB 4.43Å; R74-L146 HydrophobicContact CB-CD1 4.41Å; R74-L146 PolarHBondContact O-N 2.7Å; R74-H160 PolarHBondContact N-CE1 3.2Å; R74-H160 PolarHBondContact N-ND1 3.48Å; R74-F161 HydrophobicContact CB-CD1 4.47Å; R74-F161 HydrophobicContact CG-CD1 4.26Å
75L89.7Confident92.6Very high89 Ų8969.3 Ų69.347%0.46633%0.332SS..PPolyproline II helixtrans-85.5155-175.9-53-178.9000111.6P73 T143 C144 L146P73-L75 HydrophobicContact CB-CD2 4.03Å; L75-T143 HydrophobicContact CD2-CG2 3.68Å; L75-T143 WeakPolarHBondContact CD2-OG1 3.15Å; L75-C144 WeakPolarHBondContact CD2-O 3.46Å; L75-L146 WeakPolarHBondContact O-CD1 3.38Å
76P88.5Confident92.3Very high11 Ų1169.8 Ų69.87%0.07134%0.337CS..PPolyproline II helixtrans-52.6139.3166.5-27.836.2000112.4F80 F129 P132 C144 L146P76-F80 HydrophobicContact CB-CB 4.45Å; P76-F129 HydrophobicContact CB-CD1 4.05Å; P76-F129 HydrophobicContact CB-CE1 4.37Å; P76-P132 HydrophobicContact CB-CG 3.83Å; P76-P132 HydrophobicContact CG-CG 4.19Å; P76-C144 VanDerWaalsContact CD-O 3.24Å; P76-C144 WeakPolarHBondContact CD-O 3.48Å; P76-C144 HydrophobicContact CG-CB 3.78Å; P76-L146 HydrophobicContact CG-CD2 4.36Å
77P88.2Confident92Very high34 Ų3463 Ų6322%0.22131%0.313CS..PPolyproline II helixtrans-63.3156.9173.6-21.132.2000112.7Q79 F80 L289P77-Q79 HydrophobicContact CB-CG 4.34Å; P77-Q79 PolarHBondContact O-N 2.86Å; P77-Q79 VanDerWaalsContact O-N 3.11Å; P77-F80 HydrophobicContact CB-CD2 4.31Å; P77-F80 HydrophobicContact CG-CD2 4.33Å; P77-F80 HydrophobicContact CG-CE2 4.37Å; P77-F80 WeakPolarHBondContact O-CB 3.26Å; P77-F80 PolarHBondContact O-N 3.4Å; P77-L289 HydrophobicContact CG-CD1 3.51Å
78L88.5Confident91.6Very high133 Ų13366.5 Ų66.570%0.69633%0.332SS*.G310 helixtrans-58.9-26.5-176.9-68.5174.4000114.4F80 R81L78-F80 PolarHBondContact O-N 2.82Å; L78-F80 VanDerWaalsContact O-N 3.14Å; L78-R81 WeakPolarHBondContact O-CB 3.49Å; L78-R81 PolarHBondContact O-N 3.29Å
79Q88.9Confident91.2Very high123 Ų12371 Ų7158%0.57535%0.353SS*.G310 helixtrans-62.8-18176.673.8-168.44000113.8P77 R81 L110P77-Q79 HydrophobicContact CB-CG 4.34Å; P77-Q79 PolarHBondContact O-N 2.86Å; P77-Q79 VanDerWaalsContact O-N 3.11Å; Q79-R81 VanDerWaalsContact C-N 3.35Å; Q79-L110 HydrophobicContact CB-CD2 4.48Å; Q79-L110 HydrophobicContact CG-CD2 4.02Å
80F91.3Very high90.7Very high0 Ų071.1 Ų71.10%035%0.354CS..G310 helixtrans-88.3-6174.9-71.2-93.5000112.6P76 P77 L78 L110 P111 L112 F129 I130 P132 L289P76-F80 HydrophobicContact CB-CB 4.45Å; P77-F80 HydrophobicContact CB-CD2 4.31Å; P77-F80 HydrophobicContact CG-CD2 4.33Å; P77-F80 HydrophobicContact CG-CE2 4.37Å; P77-F80 WeakPolarHBondContact O-CB 3.26Å; P77-F80 PolarHBondContact O-N 3.4Å; L78-F80 PolarHBondContact O-N 2.82Å; L78-F80 VanDerWaalsContact O-N 3.14Å; F80-L110 HydrophobicContact CD1-CD1 3.82Å; F80-L110 HydrophobicContact CE1-CB 4.26Å; F80-L110 HydrophobicContact CE1-CD1 4.04Å; F80-L110 HydrophobicContact CE1-CD2 4.37Å; F80-L110 HydrophobicContact CE1-CG 4.48Å; F80-L110 HydrophobicContact CG-CD1 4.43Å; F80-L110 HydrophobicContact CZ-CD2 4.37Å; F80-P111 HydrophobicContact CZ-CG 4.37Å; F80-L112 HydrophobicContact CE1-CD2 3.85Å; F80-L112 HydrophobicContact CE1-CG 4.43Å; F80-F129 VanDerWaalsContact C-CD1 3.44Å; F80-F129 HydrophobicContact CB-CD1 3.89Å; F80-F129 CarbonylContact O-C 3.56Å; F80-F129 VanDerWaalsContact O-CA 3.29Å; F80-F129 WeakPolarHBondContact O-CA 3.35Å; F80-F129 WeakPolarHBondContact O-CD1 3.49Å; F80-I130 WeakPolarHBondContact CB-O 3.16Å; F80-I130 HydrophobicContact CD1-CB 4.46Å; F80-I130 WeakPolarHBondContact CD1-O 3.02Å; F80-I130 PolarHBondContact O-N 3.45Å; F80-P132 HydrophobicContact CD1-CB 4.26Å; F80-P132 HydrophobicContact CD1-CG 3.62Å; F80-P132 HydrophobicContact CD2-CG 4.02Å; F80-P132 HydrophobicContact CE1-CB 3.89Å; F80-P132 HydrophobicContact CE1-CG 3.73Å; F80-P132 HydrophobicContact CE2-CG 4.14Å; F80-P132 HydrophobicContact CG-CG 3.78Å; F80-P132 HydrophobicContact CZ-CB 4.1Å; F80-P132 HydrophobicContact CZ-CG 4Å; F80-L289 HydrophobicContact CD2-CD1 4.47Å; F80-L289 HydrophobicContact CE2-CD1 3.59Å; F80-L289 HydrophobicContact CZ-CD1 4.02Å
81R92.3Very high90.1Very high164 Ų16474.1 Ų74.162%0.61936%0.362SS*.BIsolated β-bridgetrans-72135.8-178.7-167.6176.6178.3173-1.2109.5L78 Q79 F128 F129L78-R81 WeakPolarHBondContact O-CB 3.49Å; L78-R81 PolarHBondContact O-N 3.29Å; Q79-R81 VanDerWaalsContact C-N 3.35Å; R81-F128 WeakPolarHBondContact CA-O 3.35Å; R81-F129 VanDerWaalsContact CA-CD1 3.47Å; R81-F129 HydrophobicContact CB-CD1 3.94Å; R81-F129 HydrophobicContact CB-CE1 3.55Å; R81-F129 HydrophobicContact CB-CZ 4.05Å; R81-F129 HydrophobicContact CG-CE1 4.09Å; R81-F129 HydrophobicContact CG-CZ 4.09Å
82L91.6Very high89.7Confident16 Ų1679.9 Ų79.98%0.08439%0.388CS..PPolyproline II helixtrans-98.3145.6175.1-69.4167.8000109.9A86 M87 L90 I106 V123 F128 I130L82-A86 HydrophobicContact CD2-CB 4.02Å; L82-M87 HydrophobicContact CB-CE 4.32Å; L82-M87 HydrophobicContact CD1-CE 3.56Å; L82-M87 HydrophobicContact CD1-SD 4.11Å; L82-L90 HydrophobicContact CD1-CD1 3.83Å; L82-L90 HydrophobicContact CD2-CD1 3.9Å; L82-I106 HydrophobicContact CD2-CD1 4.45Å; L82-V123 HydrophobicContact CD1-CG1 3.79Å; L82-F128 PolarHBondContact N-O 3.02Å; L82-I130 HydrophobicContact CD1-CG1 3.76Å; L82-I130 HydrophobicContact CD2-CD1 3.75Å; L82-I130 HydrophobicContact CD2-CG1 3.69Å; L82-I130 HydrophobicContact CG-CD1 4.29Å; L82-I130 HydrophobicContact CG-CG1 3.75Å
83S92.2Very high89.2Confident60 Ų6072.6 Ų72.642%0.4236%0.357SS..PPolyproline II helixtrans-72.1162.4160.685.30000109.8E85 A86 M87S83-E85 WeakPolarHBondContact CB-OE2 3.29Å; S83-E85 PolarHBondContact O-N 2.96Å; S83-E85 PolarHBondContact OG-N 3.43Å; S83-E85 PolarHBondContact OG-OE2 3.37Å; S83-A86 PolarHBondContact O-N 3.1Å; S83-A86 PolarHBondContact OG-N 2.74Å; S83-A86 VanDerWaalsContact OG-N 3.14Å; S83-M87 WeakPolarHBondContact O-CB 3.28Å; S83-M87 PolarHBondContact O-N 2.81Å
84S91.3Very high88.8Confident65 Ų6572.8 Ų72.846%0.45536%0.363SS..Hα-helixtrans-60.9-37.6177.3-61.50000111.4M87 L88S84-M87 WeakPolarHBondContact O-CB 3.48Å; S84-M87 PolarHBondContact O-N 3.3Å; S84-L88 WeakPolarHBondContact O-CG 3.14Å; S84-L88 PolarHBondContact O-N 3.3Å
85E91.6Very high88.4Confident128 Ų12875 Ų7560%0.59838%0.38SS*.Hα-helixtrans-66.4-48.1178.7-54.469-144.500110.4S83 M87 L88 Q89S83-E85 WeakPolarHBondContact CB-OE2 3.29Å; S83-E85 PolarHBondContact O-N 2.96Å; S83-E85 PolarHBondContact OG-N 3.43Å; S83-E85 PolarHBondContact OG-OE2 3.37Å; E85-M87 VanDerWaalsContact C-N 3.28Å; E85-M87 PolarHBondContact O-N 3.5Å; E85-L88 PolarHBondContact O-N 3.48Å; E85-Q89 PolarHBondContact O-N 3.12Å
86A91.7Very high88Confident18 Ų1873.4 Ų73.415%0.14938%0.377CS..Hα-helixtrans-61.6-38176.700000111.7L82 S83 Q89 L90 L102L82-A86 HydrophobicContact CD2-CB 4.02Å; S83-A86 PolarHBondContact O-N 3.1Å; S83-A86 PolarHBondContact OG-N 2.74Å; S83-A86 VanDerWaalsContact OG-N 3.14Å; A86-Q89 PolarHBondContact O-N 3.32Å; A86-L90 WeakPolarHBondContact O-CB 3.46Å; A86-L90 VanDerWaalsContact O-CG 3.28Å; A86-L90 WeakPolarHBondContact O-CG 3.27Å; A86-L90 PolarHBondContact O-N 2.9Å; A86-L102 HydrophobicContact CB-CD2 4.2Å
87M91Very high87.4Confident15 Ų1581.5 Ų81.57%0.07441%0.414CS..Hα-helixtrans-63.1-45.6174.7-178.163.875.900112.1L82 S83 S84 E85 Q89 L90 R91 V123 F128L82-M87 HydrophobicContact CB-CE 4.32Å; L82-M87 HydrophobicContact CD1-CE 3.56Å; L82-M87 HydrophobicContact CD1-SD 4.11Å; S83-M87 WeakPolarHBondContact O-CB 3.28Å; S83-M87 PolarHBondContact O-N 2.81Å; S84-M87 WeakPolarHBondContact O-CB 3.48Å; S84-M87 PolarHBondContact O-N 3.3Å; E85-M87 VanDerWaalsContact C-N 3.28Å; E85-M87 PolarHBondContact O-N 3.5Å; M87-Q89 VanDerWaalsContact C-N 3.35Å; M87-L90 PolarHBondContact O-N 2.91Å; M87-R91 WeakPolarHBondContact O-CB 3.22Å; M87-R91 PolarHBondContact O-N 2.72Å; M87-V123 HydrophobicContact CE-CG1 3.48Å; M87-V123 VanDerWaalsContact CE-CG1 3.48Å; M87-V123 HydrophobicContact SD-CG1 3.38Å; M87-V123 WeakPolarHBondContact SD-CG1 3.49Å; M87-F128 HydrophobicContact CB-CD1 3.95Å; M87-F128 HydrophobicContact CB-CE1 4.13Å; M87-F128 HydrophobicContact CE-CB 4.18Å; M87-F128 HydrophobicContact CE-CD1 3.95Å; M87-F128 HydrophobicContact CE-CG 4.19Å; M87-F128 HydrophobicContact CG-CD1 4Å; M87-F128 HydrophobicContact CG-CE1 3.99Å
88L90Very high86.7Confident115 Ų11582.3 Ų82.360%0.60242%0.424SS*.Hα-helixtrans-63.7-41.6177.8-73.2171.3000111.6S84 E85 R91 H92S84-L88 WeakPolarHBondContact O-CG 3.14Å; S84-L88 PolarHBondContact O-N 3.3Å; E85-L88 PolarHBondContact O-N 3.48Å; L88-R91 PolarHBondContact O-N 3.44Å; L88-H92 PolarHBondContact O-N 2.82Å
89Q89.5Confident85.9Confident93 Ų9384.3 Ų84.344%0.43542%0.422SS..Hα-helixtrans-61.2-51.3175.8-173.5173.41.500111.3E85 A86 M87 R91 H92 D93 L102E85-Q89 PolarHBondContact O-N 3.12Å; A86-Q89 PolarHBondContact O-N 3.32Å; M87-Q89 VanDerWaalsContact C-N 3.35Å; Q89-R91 PolarHBondContact O-N 3.26Å; Q89-H92 WeakPolarHBondContact O-CB 3.34Å; Q89-H92 PolarHBondContact O-N 2.85Å; Q89-D93 PolarHBondContact O-N 3.4Å; Q89-L102 HydrophobicContact CB-CD2 4.09Å; Q89-L102 HydrophobicContact CG-CD2 4.04Å
90L87.9Confident85.1Confident13 Ų1379.2 Ų79.27%0.06840%0.4CS..Hα-helixtrans-60-33.4177.3-71177.1000112.9L82 A86 M87 A94 L102 T103 I106 L121 V123L82-L90 HydrophobicContact CD1-CD1 3.83Å; L82-L90 HydrophobicContact CD2-CD1 3.9Å; A86-L90 WeakPolarHBondContact O-CB 3.46Å; A86-L90 VanDerWaalsContact O-CG 3.28Å; A86-L90 WeakPolarHBondContact O-CG 3.27Å; A86-L90 PolarHBondContact O-N 2.9Å; M87-L90 PolarHBondContact O-N 2.91Å; L90-A94 WeakPolarHBondContact O-CB 3.19Å; L90-A94 PolarHBondContact O-N 3.46Å; L90-L102 HydrophobicContact CD2-CD2 4.03Å; L90-L102 HydrophobicContact CD2-CG 4.21Å; L90-L102 HydrophobicContact CG-CD2 3.96Å; L90-T103 WeakPolarHBondContact CD2-OG1 3.04Å; L90-I106 HydrophobicContact CD1-CD1 3.91Å; L90-I106 HydrophobicContact CD2-CD1 4.13Å; L90-I106 HydrophobicContact CG-CD1 4.49Å; L90-L121 HydrophobicContact CD1-CD1 4.36Å; L90-L121 HydrophobicContact CD2-CD1 3.83Å; L90-V123 HydrophobicContact CD1-CG2 4.26Å
91R85Confident84.7Confident164 Ų16486.3 Ų86.362%0.61944%0.437SS*.Hα-helixtrans-68.5-42.5174.9-174179-171.7-178.62.3111.8M87 L88 Q89 D93 A94 I95M87-R91 WeakPolarHBondContact O-CB 3.22Å; M87-R91 PolarHBondContact O-N 2.72Å; L88-R91 PolarHBondContact O-N 3.44Å; Q89-R91 PolarHBondContact O-N 3.26Å; R91-D93 VanDerWaalsContact C-N 3.35Å; R91-A94 PolarHBondContact O-N 3.05Å; R91-I95 HydrophobicContact CG-CD1 4.34Å; R91-I95 WeakPolarHBondContact O-CG1 3.31Å; R91-I95 PolarHBondContact O-N 3.41Å
92H85.4Confident84.4Confident125 Ų12580.1 Ų80.158%0.57942%0.416SS*.Hα-helixtrans-62.4-44.7175.3178.5-87.5000110.9L88 Q89 A94 I95 S96L88-H92 PolarHBondContact O-N 2.82Å; Q89-H92 WeakPolarHBondContact O-CB 3.34Å; Q89-H92 PolarHBondContact O-N 2.85Å; H92-A94 VanDerWaalsContact C-N 3.33Å; H92-A94 PolarHBondContact O-N 3.34Å; H92-I95 PolarHBondContact O-N 3.19Å; H92-I95 VanDerWaalsContact O-N 3.09Å; H92-S96 PolarHBondContact O-N 2.95Å; H92-S96 PolarHBondContact O-OG 3.34Å
93D81.2Confident84.1Confident17 Ų1780 Ų809%0.09142%0.417CS..Hα-helixtrans-59.7-42177.3-61.7-23.4000112.3Q89 R91 I95 S96 Q97 A98 S100Q89-D93 PolarHBondContact O-N 3.4Å; R91-D93 VanDerWaalsContact C-N 3.35Å; D93-I95 VanDerWaalsContact C-N 3.29Å; D93-I95 PolarHBondContact O-N 2.89Å; D93-S96 WeakPolarHBondContact CA-OG 3.2Å; D93-S96 PolarHBondContact O-N 3.35Å; D93-S96 PolarHBondContact O-OG 3.5Å; D93-Q97 WeakPolarHBondContact O-CA 3.46Å; D93-Q97 PolarHBondContact O-N 2.9Å; D93-A98 WeakPolarHBondContact CB-O 3.47Å; D93-A98 PolarHBondContact O-N 2.64Å; D93-S100 VanDerWaalsContact CG-CB 3.45Å; D93-S100 WeakPolarHBondContact OD2-CB 3.3Å; D93-S100 PolarHBondContact OD2-OG 2.93Å
94A79.8Confident83.7Confident59 Ų5980.1 Ų80.149%0.48841%0.411SS..Hα-helixtrans-63.4-35.3175.700000112.4L90 R91 H92L90-A94 WeakPolarHBondContact O-CB 3.19Å; L90-A94 PolarHBondContact O-N 3.46Å; R91-A94 PolarHBondContact O-N 3.05Å; H92-A94 VanDerWaalsContact C-N 3.33Å; H92-A94 PolarHBondContact O-N 3.34Å
95I81Confident83.6Confident132 Ų13283.9 Ų83.968%0.67742%0.419SS*.Hα-helixtrans-74.1-43.4177.7-67.5165.6000111R91 H92 D93 Q97R91-I95 HydrophobicContact CG-CD1 4.34Å; R91-I95 WeakPolarHBondContact O-CG1 3.31Å; R91-I95 PolarHBondContact O-N 3.41Å; H92-I95 PolarHBondContact O-N 3.19Å; H92-I95 VanDerWaalsContact O-N 3.09Å; D93-I95 VanDerWaalsContact C-N 3.29Å; D93-I95 PolarHBondContact O-N 2.89Å; I95-Q97 PolarHBondContact O-N 2.83Å
96S82.3Confident83.5Confident57 Ų5778.5 Ų78.540%0.39939%0.394SS..Hα-helixtrans-76.9-8.7-179.7650000113.5H92 D93 A98H92-S96 PolarHBondContact O-N 2.95Å; H92-S96 PolarHBondContact O-OG 3.34Å; D93-S96 WeakPolarHBondContact CA-OG 3.2Å; D93-S96 PolarHBondContact O-N 3.35Å; D93-S96 PolarHBondContact O-OG 3.5Å; S96-A98 PolarHBondContact O-N 3.33Å; S96-A98 VanDerWaalsContact O-N 3.08Å; S96-A98 WeakPolarHBondContact OG-CB 3.49Å; S96-A98 PolarHBondContact OG-N 3Å
97Q75.4Confident83.2Confident180 Ų18079 Ų7984%0.84139%0.394SS*.THydrogen-bonded Turntrans54.818.4-169.8-59179.7-2.400113.3D93 I95D93-Q97 WeakPolarHBondContact O-CA 3.46Å; D93-Q97 PolarHBondContact O-N 2.9Å; I95-Q97 PolarHBondContact O-N 2.83Å
98A73Confident82.9Confident52 Ų5288.3 Ų88.343%0.4343%0.428SS..  trans-86.6131.3177.200000109.7D93 S96 S100D93-A98 WeakPolarHBondContact CB-O 3.47Å; D93-A98 PolarHBondContact O-N 2.64Å; S96-A98 PolarHBondContact O-N 3.33Å; S96-A98 VanDerWaalsContact O-N 3.08Å; S96-A98 WeakPolarHBondContact OG-CB 3.49Å; S96-A98 PolarHBondContact OG-N 3Å; A98-S100 PolarHBondContact O-N 3.45Å
99R71.2Confident82.9Confident175 Ų17587.8 Ų87.866%0.6643%0.43SS*.  trans-80.6101.3168-74.9-170.5175.8-179.24.8109.1E104R99-E104 IonicContact NH1-OE1 3.66Å
100S72.7Confident82.9Confident15 Ų1584.1 Ų84.111%0.10541%0.413CS..  trans-68.8156.5174.963.20000112.6D93 A98 L102 T103 E104D93-S100 VanDerWaalsContact CG-CB 3.45Å; D93-S100 WeakPolarHBondContact OD2-CB 3.3Å; D93-S100 PolarHBondContact OD2-OG 2.93Å; A98-S100 PolarHBondContact O-N 3.45Å; S100-L102 PolarHBondContact O-N 2.88Å; S100-L102 VanDerWaalsContact O-N 3.12Å; S100-T103 WeakPolarHBondContact O-CB 3.39Å; S100-T103 PolarHBondContact O-N 3.49Å; S100-T103 PolarHBondContact OG-N 3.1Å; S100-T103 VanDerWaalsContact OG-N 3.16Å; S100-T103 PolarHBondContact OG-OG1 3.26Å; S100-E104 PolarHBondContact O-N 2.89Å
101D82.4Confident82.9Confident149 Ų14986.5 Ų86.580%0.79743%0.43SS*.Hα-helixtrans-52.5-30.9167.9-66.3-26.6000112.1K105D101-K105 WeakPolarHBondContact O-CB 3.42Å; D101-K105 PolarHBondContact O-N 3.37Å
102L85.6Confident83.2Confident34 Ų3479.5 Ų79.518%0.17840%0.404CS..Hα-helixtrans-66-45.7175.6176.662.2000111.6A86 Q89 L90 S100 K105 I106A86-L102 HydrophobicContact CB-CD2 4.2Å; Q89-L102 HydrophobicContact CB-CD2 4.09Å; Q89-L102 HydrophobicContact CG-CD2 4.04Å; L90-L102 HydrophobicContact CD2-CD2 4.03Å; L90-L102 HydrophobicContact CD2-CG 4.21Å; L90-L102 HydrophobicContact CG-CD2 3.96Å; S100-L102 PolarHBondContact O-N 2.88Å; S100-L102 VanDerWaalsContact O-N 3.12Å; L102-K105 PolarHBondContact O-N 2.86Å; L102-I106 HydrophobicContact CD1-CD1 3.93Å; L102-I106 HydrophobicContact CD1-CG1 4.22Å; L102-I106 HydrophobicContact CG-CD1 3.89Å; L102-I106 WeakPolarHBondContact O-CB 3.42Å; L102-I106 VanDerWaalsContact O-CG1 3.32Å; L102-I106 WeakPolarHBondContact O-CG1 3.4Å; L102-I106 PolarHBondContact O-N 2.89Å
103T85.2Confident83.4Confident15 Ų1577.5 Ų77.59%0.09239%0.392CS..Hα-helixtrans-59.5-49.2177.5-65.20000110.4L90 S100 K105 I106 L107 L121L90-T103 WeakPolarHBondContact CD2-OG1 3.04Å; S100-T103 WeakPolarHBondContact O-CB 3.39Å; S100-T103 PolarHBondContact O-N 3.49Å; S100-T103 PolarHBondContact OG-N 3.1Å; S100-T103 VanDerWaalsContact OG-N 3.16Å; S100-T103 PolarHBondContact OG-OG1 3.26Å; T103-K105 PolarHBondContact O-N 3.36Å; T103-I106 WeakPolarHBondContact O-CB 3.36Å; T103-I106 PolarHBondContact O-N 3.09Å; T103-L107 HydrophobicContact CG2-CD1 4.17Å; T103-L107 VanDerWaalsContact O-CG 3.28Å; T103-L107 WeakPolarHBondContact O-CG 3.33Å; T103-L107 PolarHBondContact O-N 3.46Å; T103-L121 HydrophobicContact CG2-CD1 3.9Å; T103-L121 HydrophobicContact CG2-CG 4.07Å
104E84.6Confident84Confident62 Ų6277 Ų7729%0.2939%0.39SS..Hα-helixtrans-62.8-42177.5-72.4-61.6150.500112.1R99 S100 I106 L107 R108R99-E104 IonicContact NH1-OE1 3.66Å; S100-E104 PolarHBondContact O-N 2.89Å; E104-I106 PolarHBondContact O-N 3.18Å; E104-L107 PolarHBondContact O-N 3.37Å; E104-R108 WeakPolarHBondContact O-CG 3.33Å; E104-R108 PolarHBondContact O-N 2.89Å
105K88.9Confident84.5Confident143 Ų14376.4 Ų76.462%0.62238%0.375SS*.Hα-helixtrans-58.7-45.4174.5-179.1178.9-1791780112D101 L102 T103 R108 T109D101-K105 WeakPolarHBondContact O-CB 3.42Å; D101-K105 PolarHBondContact O-N 3.37Å; L102-K105 PolarHBondContact O-N 2.86Å; T103-K105 PolarHBondContact O-N 3.36Å; K105-R108 PolarHBondContact O-N 2.81Å; K105-T109 WeakPolarHBondContact O-CB 3.44Å; K105-T109 PolarHBondContact O-N 3.44Å; K105-T109 VanDerWaalsContact O-N 3.08Å; K105-T109 PolarHBondContact O-OG1 2.73Å
106I89.2Confident85Confident15 Ų1572 Ų728%0.07736%0.356CS..Hα-helixtrans-60.3-47.1177-78165000110.7L82 L90 L102 T103 E104 R108 T109 L110 L112 L121 I130L82-I106 HydrophobicContact CD2-CD1 4.45Å; L90-I106 HydrophobicContact CD1-CD1 3.91Å; L90-I106 HydrophobicContact CD2-CD1 4.13Å; L90-I106 HydrophobicContact CG-CD1 4.49Å; L102-I106 HydrophobicContact CD1-CD1 3.93Å; L102-I106 HydrophobicContact CD1-CG1 4.22Å; L102-I106 HydrophobicContact CG-CD1 3.89Å; L102-I106 WeakPolarHBondContact O-CB 3.42Å; L102-I106 VanDerWaalsContact O-CG1 3.32Å; L102-I106 WeakPolarHBondContact O-CG1 3.4Å; L102-I106 PolarHBondContact O-N 2.89Å; T103-I106 WeakPolarHBondContact O-CB 3.36Å; T103-I106 PolarHBondContact O-N 3.09Å; E104-I106 PolarHBondContact O-N 3.18Å; I106-R108 PolarHBondContact O-N 3.48Å; I106-T109 PolarHBondContact O-N 3.2Å; I106-T109 VanDerWaalsContact O-N 3.12Å; I106-L110 HydrophobicContact CG2-CD1 4.2Å; I106-L110 PolarHBondContact O-N 3.46Å; I106-L112 HydrophobicContact CG2-CD1 4.06Å; I106-L121 HydrophobicContact CB-CD1 4.1Å; I106-L121 HydrophobicContact CD1-CD1 3.88Å; I106-L121 HydrophobicContact CG2-CD1 3.73Å; I106-L121 HydrophobicContact CG2-CD2 3.74Å; I106-L121 HydrophobicContact CG2-CG 4.42Å; I106-I130 HydrophobicContact CB-CD1 4.41Å; I106-I130 HydrophobicContact CD1-CD1 3.73Å; I106-I130 HydrophobicContact CG1-CD1 3.92Å; I106-I130 HydrophobicContact CG2-CD1 3.59Å
107L85.5Confident85.2Confident30 Ų3076.6 Ų76.616%0.15738%0.375CS..Hα-helixtrans-63.5-30.1-178.5-71.1-178.8000113.3T103 E104 L121T103-L107 HydrophobicContact CG2-CD1 4.17Å; T103-L107 VanDerWaalsContact O-CG 3.28Å; T103-L107 WeakPolarHBondContact O-CG 3.33Å; T103-L107 PolarHBondContact O-N 3.46Å; E104-L107 PolarHBondContact O-N 3.37Å; L107-L121 HydrophobicContact CD2-CD2 3.42Å; L107-L121 VanDerWaalsContact CD2-CD2 3.42Å; L107-L121 HydrophobicContact CD2-CG 4.47Å; L107-L121 HydrophobicContact CG-CD2 4.08Å
108R85.8Confident85.7Confident210 Ų21073.4 Ų73.479%0.79236%0.364SS*.Hα-helixtrans-79.9-27.1174.5-68.1176.2-175.3-1670.8113.5E104 K105 I106E104-R108 WeakPolarHBondContact O-CG 3.33Å; E104-R108 PolarHBondContact O-N 2.89Å; K105-R108 PolarHBondContact O-N 2.81Å; I106-R108 PolarHBondContact O-N 3.48Å
109T88.5Confident86.2Confident103 Ų10372.3 Ų72.363%0.63236%0.358SS*.Hα-helixtrans-95-32.4-172.1-50.70000112.9K105 I106K105-T109 WeakPolarHBondContact O-CB 3.44Å; K105-T109 PolarHBondContact O-N 3.44Å; K105-T109 VanDerWaalsContact O-N 3.08Å; K105-T109 PolarHBondContact O-OG1 2.73Å; I106-T109 PolarHBondContact O-N 3.2Å; I106-T109 VanDerWaalsContact O-N 3.12Å
110L89.5Confident87Confident17 Ų1765.2 Ų65.29%0.08934%0.339CS..SBendtrans-106.2143.4-176.8-64.1-179.4000111.4Q79 F80 I106 L112 I130Q79-L110 HydrophobicContact CB-CD2 4.48Å; Q79-L110 HydrophobicContact CG-CD2 4.02Å; F80-L110 HydrophobicContact CD1-CD1 3.82Å; F80-L110 HydrophobicContact CE1-CB 4.26Å; F80-L110 HydrophobicContact CE1-CD1 4.04Å; F80-L110 HydrophobicContact CE1-CD2 4.37Å; F80-L110 HydrophobicContact CE1-CG 4.48Å; F80-L110 HydrophobicContact CG-CD1 4.43Å; F80-L110 HydrophobicContact CZ-CD2 4.37Å; I106-L110 HydrophobicContact CG2-CD1 4.2Å; I106-L110 PolarHBondContact O-N 3.46Å; L110-L112 HydrophobicContact CB-CD1 3.88Å; L110-L112 HydrophobicContact CB-CG 3.87Å; L110-L112 HydrophobicContact CD1-CD1 4.27Å; L110-L112 PolarHBondContact O-N 2.93Å; L110-I130 HydrophobicContact CD1-CB 4.48Å; L110-I130 HydrophobicContact CD1-CD1 3.57Å
111P88.5Confident87.9Confident63 Ų6365.6 Ų65.641%0.40934%0.339SS..  trans-7673.8178.932.5-35.9000110.8F80 L289F80-P111 HydrophobicContact CZ-CG 4.37Å; P111-L289 WeakPolarHBondContact CG-O 3.48Å
112L90.6Very high88.4Confident17 Ų1760.2 Ų60.29%0.08931%0.308CS..  trans-114.2107.5-175.4-66.6173.3000111.3F80 I106 L110 R115 L121 I130F80-L112 HydrophobicContact CE1-CD2 3.85Å; F80-L112 HydrophobicContact CE1-CG 4.43Å; I106-L112 HydrophobicContact CG2-CD1 4.06Å; L110-L112 HydrophobicContact CB-CD1 3.88Å; L110-L112 HydrophobicContact CB-CG 3.87Å; L110-L112 HydrophobicContact CD1-CD1 4.27Å; L110-L112 PolarHBondContact O-N 2.93Å; L112-R115 PolarHBondContact O-NH1 3.41Å; L112-L121 HydrophobicContact CD1-CD2 3.95Å; L112-I130 HydrophobicContact CD1-CG2 3.66Å
113R90Very high88.8Confident82 Ų8260.1 Ų60.131%0.30931%0.309SS..  trans-93-29.1175.4-59.5-177.3-76.7164.2-21.5112.6D133 F247 G255 F256 Y258R113-D133 WeakPolarHBondContact CA-OD2 3.46Å; R113-D133 VanDerWaalsContact CB-OD2 3.27Å; R113-D133 WeakPolarHBondContact CB-OD2 3.36Å; R113-D133 PolarHBondContact N-OD1 3.43Å; R113-D133 PolarHBondContact N-OD2 3.47Å; R113-D133 IonicContact NE-OD2 3.44Å; R113-F247 HydrophobicContact CB-CD1 3.96Å; R113-F247 HydrophobicContact CB-CE1 4Å; R113-G255 PolarHBondContact NH1-O 3.14Å; R113-F256 VanDerWaalsContact CZ-CE1 3.48Å; R113-F256 VanDerWaalsContact NH2-CE1 3.27Å; R113-Y258 PolarHBondContact NH2-OH 3.47Å
114C93.6Very high89.3Confident7 Ų759.7 Ų59.75%0.04731%0.306CS..  trans-89.2154.5-177.7-64.30000112.7D133 V246 F256C114-D133 VanDerWaalsContact CB-OD1 3.29Å; C114-D133 WeakPolarHBondContact CB-OD1 3.06Å; C114-D133 PolarHBondContact N-OD1 3.47Å; C114-V246 CarbonylContact C-O 3.53Å; C114-V246 WeakPolarHBondContact CA-O 3.35Å; C114-F256 VanDerWaalsContact SG-CZ 3.58Å
115R90.9Very high89.6Confident46 Ų4661.8 Ų61.817%0.17432%0.32CS..BIsolated β-bridgetrans-125.4164.7176.4-60.6-62.8-178.1-105.1-2111L112 G120 R122 V246L112-R115 PolarHBondContact O-NH1 3.41Å; R115-G120 WeakPolarHBondContact CA-O 3.48Å; R115-R122 WeakPolarHBondContact O-CD 3.21Å; R115-V246 HydrophobicContact CB-CG1 4.41Å; R115-V246 PolarHBondContact N-O 3.02Å
116S91Very high89.8Confident41 Ų4162 Ų6229%0.28732%0.32SS..  trans-71.8169.4166.4174.40000109.9D118 G119 G120S116-D118 WeakPolarHBondContact CB-OD1 3.45Å; S116-D118 PolarHBondContact O-N 3.45Å; S116-D118 PolarHBondContact OG-OD1 3.4Å; S116-G119 WeakPolarHBondContact O-CA 3.26Å; S116-G119 PolarHBondContact O-N 3.02Å; S116-G120 PolarHBondContact N-O 3.46Å
117L88Confident90Very high153 Ų15362.5 Ų62.580%0.80133%0.325SS*.THydrogen-bonded Turntrans-63.4-30.6-177.2-72.4169.7000112.8G119 V246L117-G119 PolarHBondContact O-N 2.88Å; L117-V246 HydrophobicContact CD2-CG2 3.98Å
118D86Confident90.4Very high113 Ų11365 Ų6560%0.60433%0.334SS*.THydrogen-bonded Turntrans-79.44.7172.959.2-11.7000113.2S116 G120S116-D118 WeakPolarHBondContact CB-OD1 3.45Å; S116-D118 PolarHBondContact O-N 3.45Å; S116-D118 PolarHBondContact OG-OD1 3.4Å; D118-G120 PolarHBondContact O-N 3.22Å; D118-G120 PolarHBondContact OD1-N 3.26Å
119G83.8Confident90.7Very high29 Ų2956.5 Ų56.530%0.29930%0.303SS..SBendtrans79.8-2.1-17700000114.6S116 L117S116-G119 WeakPolarHBondContact O-CA 3.26Å; S116-G119 PolarHBondContact O-N 3.02Å; L117-G119 PolarHBondContact O-N 2.88Å
120G86.8Confident90.9Very high26 Ų2651.8 Ų51.827%0.26828%0.275SS..SBendtrans-78.2-176.118000000114.6R115 S116 D118R115-G120 WeakPolarHBondContact CA-O 3.48Å; S116-G120 PolarHBondContact N-O 3.46Å; D118-G120 PolarHBondContact O-N 3.22Å; D118-G120 PolarHBondContact OD1-N 3.26Å
121L91.4Very high91.1Very high22 Ų2253.3 Ų53.312%0.11528%0.28CS..  trans-69.3141.7171.9-74.6168.4000111.1L90 T103 I106 L107 L112 V123 I130L90-L121 HydrophobicContact CD1-CD1 4.36Å; L90-L121 HydrophobicContact CD2-CD1 3.83Å; T103-L121 HydrophobicContact CG2-CD1 3.9Å; T103-L121 HydrophobicContact CG2-CG 4.07Å; I106-L121 HydrophobicContact CB-CD1 4.1Å; I106-L121 HydrophobicContact CD1-CD1 3.88Å; I106-L121 HydrophobicContact CG2-CD1 3.73Å; I106-L121 HydrophobicContact CG2-CD2 3.74Å; I106-L121 HydrophobicContact CG2-CG 4.42Å; L107-L121 HydrophobicContact CD2-CD2 3.42Å; L107-L121 VanDerWaalsContact CD2-CD2 3.42Å; L107-L121 HydrophobicContact CD2-CG 4.47Å; L107-L121 HydrophobicContact CG-CD2 4.08Å; L112-L121 HydrophobicContact CD1-CD2 3.95Å; L121-V123 HydrophobicContact CB-CG2 4.04Å; L121-V123 PolarHBondContact O-N 3.4Å; L121-I130 HydrophobicContact CD2-CG2 4.45Å
122R93.4Very high91.4Very high37 Ų3750.3 Ų50.314%0.1426%0.261CS..  trans-81.9107.1173-64.217066.5-1200.8108.5R115 K131 P132 S135R115-R122 WeakPolarHBondContact O-CD 3.21Å; R122-K131 HydrophobicContact CB-CB 4.03Å; R122-K131 HydrophobicContact CB-CD 4.36Å; R122-K131 WeakPolarHBondContact O-CB 3.26Å; R122-K131 PolarHBondContact O-N 2.85Å; R122-P132 PolarHBondContact NH1-O 2.98Å; R122-S135 PolarHBondContact NH2-O 2.87Å
123V93.9Very high91.6Very high31 Ų3150.1 Ų50.119%0.18826%0.26CS..EExtended strand (participates in β ladder)trans-114.1155.1-176.9-176.40000111.6L82 M87 L90 L121 K131L82-V123 HydrophobicContact CD1-CG1 3.79Å; M87-V123 HydrophobicContact CE-CG1 3.48Å; M87-V123 VanDerWaalsContact CE-CG1 3.48Å; M87-V123 HydrophobicContact SD-CG1 3.38Å; M87-V123 WeakPolarHBondContact SD-CG1 3.49Å; L90-V123 HydrophobicContact CD1-CG2 4.26Å; L121-V123 HydrophobicContact CB-CG2 4.04Å; L121-V123 PolarHBondContact O-N 3.4Å; V123-K131 WeakPolarHBondContact O-CE 3.22Å; V123-K131 PolarHBondContact O-NZ 3.05Å
124C94.8Very high91.8Very high6 Ų646.6 Ų46.64%0.04125%0.247CC..EExtended strand (participates in β ladder)trans-119.1104.3170.7-171.60000111.3K126 C127 F128 F129 K131 C144C124-K126 VanDerWaalsContact C-N 3.27Å; C124-K126 PolarHBondContact O-N 2.86Å; C124-C127 HydrophobicContact CB-CB 4.34Å; C124-C127 PolarHBondContact O-N 3.42Å; C124-F128 WeakPolarHBondContact O-CA 3.42Å; C124-F128 PolarHBondContact O-N 3.24Å; C124-F129 PolarHBondContact N-O 3.39Å; C124-F129 PolarHBondContact O-N 3.34Å; C124-K131 HydrophobicContact CB-CG 4.12Å; C124-C144 PolarHBondContact SG-SG 2.94Å
125D92.5Very high91.9Very high107 Ų10746.3 Ų46.357%0.57225%0.245SC*.THydrogen-bonded Turntrans-63-33.3179.2-49.5-29000112.9F128D125-F128 WeakPolarHBondContact O-CD2 3.5Å; D125-F128 VanDerWaalsContact O-CE2 3.29Å; D125-F128 WeakPolarHBondContact O-CE2 3.4Å
126K93Very high92.2Very high147 Ų14746.8 Ų46.864%0.63925%0.249SC*.THydrogen-bonded Turntrans-71-35.9-178.7-64.6-178.3-179.8-1760113C124 H137C124-K126 VanDerWaalsContact C-N 3.27Å; C124-K126 PolarHBondContact O-N 2.86Å; K126-H137 WeakPolarHBondContact CD-NE2 3.36Å
127C92.9Very high92.5Very high25 Ų2546.9 Ų46.917%0.16924%0.244CC..THydrogen-bonded Turntrans-101.9-11.8-175.3-590000112.9C124 F129 H137C124-C127 HydrophobicContact CB-CB 4.34Å; C124-C127 PolarHBondContact O-N 3.42Å; C127-F129 HydrophobicContact CB-CD2 3.61Å; C127-F129 HydrophobicContact CB-CE2 4.24Å; C127-F129 WeakPolarHBondContact O-CD2 3.32Å; C127-F129 VanDerWaalsContact O-CE2 3.28Å; C127-F129 WeakPolarHBondContact O-CE2 3.37Å; C127-H137 VanDerWaalsContact SG-CE1 3.54Å; C127-H137 PolarHBondContact SG-ND1 2.89Å
128F94.3Very high92.9Very high82 Ų8239.9 Ų39.936%0.3621%0.208SC..THydrogen-bonded Turntrans57.350.4-170.9-66.5-102.8000113R81 L82 M87 C124 D125R81-F128 WeakPolarHBondContact CA-O 3.35Å; L82-F128 PolarHBondContact N-O 3.02Å; M87-F128 HydrophobicContact CB-CD1 3.95Å; M87-F128 HydrophobicContact CB-CE1 4.13Å; M87-F128 HydrophobicContact CE-CB 4.18Å; M87-F128 HydrophobicContact CE-CD1 3.95Å; M87-F128 HydrophobicContact CE-CG 4.19Å; M87-F128 HydrophobicContact CG-CD1 4Å; M87-F128 HydrophobicContact CG-CE1 3.99Å; C124-F128 WeakPolarHBondContact O-CA 3.42Å; C124-F128 PolarHBondContact O-N 3.24Å; D125-F128 WeakPolarHBondContact O-CD2 3.5Å; D125-F128 VanDerWaalsContact O-CE2 3.29Å; D125-F128 WeakPolarHBondContact O-CE2 3.4Å
129F90.9Very high93.3Very high32 Ų3238.8 Ų38.814%0.1421%0.209CC..EExtended strand (participates in β ladder)trans-130.3145.4175.4-74-91.7000111.8P76 F80 R81 C124 C127 K131P76-F129 HydrophobicContact CB-CD1 4.05Å; P76-F129 HydrophobicContact CB-CE1 4.37Å; F80-F129 VanDerWaalsContact C-CD1 3.44Å; F80-F129 HydrophobicContact CB-CD1 3.89Å; F80-F129 CarbonylContact O-C 3.56Å; F80-F129 VanDerWaalsContact O-CA 3.29Å; F80-F129 WeakPolarHBondContact O-CA 3.35Å; F80-F129 WeakPolarHBondContact O-CD1 3.49Å; R81-F129 VanDerWaalsContact CA-CD1 3.47Å; R81-F129 HydrophobicContact CB-CD1 3.94Å; R81-F129 HydrophobicContact CB-CE1 3.55Å; R81-F129 HydrophobicContact CB-CZ 4.05Å; R81-F129 HydrophobicContact CG-CE1 4.09Å; R81-F129 HydrophobicContact CG-CZ 4.09Å; C124-F129 PolarHBondContact N-O 3.39Å; C124-F129 PolarHBondContact O-N 3.34Å; C127-F129 HydrophobicContact CB-CD2 3.61Å; C127-F129 HydrophobicContact CB-CE2 4.24Å; C127-F129 WeakPolarHBondContact O-CD2 3.32Å; C127-F129 VanDerWaalsContact O-CE2 3.28Å; C127-F129 WeakPolarHBondContact O-CE2 3.37Å; F129-K131 PolarHBondContact O-N 3.36Å
130I93.3Very high93.7Very high5 Ų540.5 Ų40.53%0.02621%0.214CC..EExtended strand (participates in β ladder)trans-70.9121.4154.9-53.6159.3000106F80 L82 I106 L110 L112 L121 P132F80-I130 WeakPolarHBondContact CB-O 3.16Å; F80-I130 HydrophobicContact CD1-CB 4.46Å; F80-I130 WeakPolarHBondContact CD1-O 3.02Å; F80-I130 PolarHBondContact O-N 3.45Å; L82-I130 HydrophobicContact CD1-CG1 3.76Å; L82-I130 HydrophobicContact CD2-CD1 3.75Å; L82-I130 HydrophobicContact CD2-CG1 3.69Å; L82-I130 HydrophobicContact CG-CD1 4.29Å; L82-I130 HydrophobicContact CG-CG1 3.75Å; I106-I130 HydrophobicContact CB-CD1 4.41Å; I106-I130 HydrophobicContact CD1-CD1 3.73Å; I106-I130 HydrophobicContact CG1-CD1 3.92Å; I106-I130 HydrophobicContact CG2-CD1 3.59Å; L110-I130 HydrophobicContact CD1-CB 4.48Å; L110-I130 HydrophobicContact CD1-CD1 3.57Å; L112-I130 HydrophobicContact CD1-CG2 3.66Å; L121-I130 HydrophobicContact CD2-CG2 4.45Å; I130-P132 WeakPolarHBondContact O-CD 3.38Å
131K94.4Very high94Very high49 Ų4940.9 Ų40.921%0.21321%0.212CC..PPolyproline II helixtrans-68.5116.2-178.7-70172.5179.2151.50108.9R122 V123 C124 F129 S135R122-K131 HydrophobicContact CB-CB 4.03Å; R122-K131 HydrophobicContact CB-CD 4.36Å; R122-K131 WeakPolarHBondContact O-CB 3.26Å; R122-K131 PolarHBondContact O-N 2.85Å; V123-K131 WeakPolarHBondContact O-CE 3.22Å; V123-K131 PolarHBondContact O-NZ 3.05Å; C124-K131 HydrophobicContact CB-CG 4.12Å; F129-K131 PolarHBondContact O-N 3.36Å; K131-S135 WeakPolarHBondContact CA-OG 3.25Å; K131-S135 WeakPolarHBondContact CB-OG 3.43Å
132P93.8Very high94.1Very high0 Ų042.3 Ų42.30%023%0.232CC..PPolyproline II helixtrans-52.6158.7166.4-21.829.8000111.7P76 F80 R122 I130 R134 S135 L146 L289P76-P132 HydrophobicContact CB-CG 3.83Å; P76-P132 HydrophobicContact CG-CG 4.19Å; F80-P132 HydrophobicContact CD1-CB 4.26Å; F80-P132 HydrophobicContact CD1-CG 3.62Å; F80-P132 HydrophobicContact CD2-CG 4.02Å; F80-P132 HydrophobicContact CE1-CB 3.89Å; F80-P132 HydrophobicContact CE1-CG 3.73Å; F80-P132 HydrophobicContact CE2-CG 4.14Å; F80-P132 HydrophobicContact CG-CG 3.78Å; F80-P132 HydrophobicContact CZ-CB 4.1Å; F80-P132 HydrophobicContact CZ-CG 4Å; R122-P132 PolarHBondContact NH1-O 2.98Å; I130-P132 WeakPolarHBondContact O-CD 3.38Å; P132-R134 PolarHBondContact O-N 2.86Å; P132-S135 WeakPolarHBondContact CD-OG 3.49Å; P132-S135 VanDerWaalsContact N-OG 3.13Å; P132-S135 VanDerWaalsContact O-CB 3.3Å; P132-S135 WeakPolarHBondContact O-CB 3.49Å; P132-S135 PolarHBondContact O-N 3.39Å; P132-S135 PolarHBondContact O-OG 3.32Å; P132-L146 HydrophobicContact CB-CD2 4.05Å; P132-L146 HydrophobicContact CG-CD2 3.85Å; P132-L289 HydrophobicContact CB-CD2 3.66Å; P132-L289 HydrophobicContact CG-CD2 4.48Å
133D94.4Very high94.2Very high13 Ų1342.1 Ų42.17%0.0724%0.235CC..THydrogen-bonded Turntrans-50.1138.6173.5-71.3-15.1000110.8R113 C114 S135 F256R113-D133 WeakPolarHBondContact CA-OD2 3.46Å; R113-D133 VanDerWaalsContact CB-OD2 3.27Å; R113-D133 WeakPolarHBondContact CB-OD2 3.36Å; R113-D133 PolarHBondContact N-OD1 3.43Å; R113-D133 PolarHBondContact N-OD2 3.47Å; R113-D133 IonicContact NE-OD2 3.44Å; C114-D133 VanDerWaalsContact CB-OD1 3.29Å; C114-D133 WeakPolarHBondContact CB-OD1 3.06Å; C114-D133 PolarHBondContact N-OD1 3.47Å; D133-S135 PolarHBondContact O-N 3.42Å; D133-F256 HydrophobicContact CB-CE1 4.47Å; D133-F256 HydrophobicContact CB-CZ 4.18Å
134R95.3Very high94.2Very high8 Ų840.7 Ų40.73%0.0323%0.227CC..THydrogen-bonded Turntrans64.50.8179.9-40.3-176.468.5173.28.9115.3P132 H136 K147 M148 N235 E240 F256 E266P132-R134 PolarHBondContact O-N 2.86Å; R134-H136 PolarHBondContact O-CD2 3.14Å; R134-K147 HydrophobicContact CB-CB 4.46Å; R134-K147 HydrophobicContact CB-CG 4.38Å; R134-K147 VanDerWaalsContact CZ-CE 3.41Å; R134-K147 WeakPolarHBondContact O-CA 3.46Å; R134-K147 PolarHBondContact O-N 2.73Å; R134-M148 PolarHBondContact O-N 2.86Å; R134-N235 PolarHBondContact NH1-OD1 3.38Å; R134-N235 PolarHBondContact NH2-O 2.97Å; R134-N235 PolarHBondContact NH2-OD1 2.98Å; R134-E240 VanDerWaalsContact CB-OE1 3.28Å; R134-E240 WeakPolarHBondContact CB-OE1 3.5Å; R134-E240 WeakPolarHBondContact CG-OE1 3.19Å; R134-E240 IonicContact CZ-OE1 3.64Å; R134-E240 IonicContact CZ-OE2 2.71Å; R134-E240 IonicContact NE-OE1 3.56Å; R134-E240 PolarHBondContact NE-OE1 3.37Å; R134-E240 IonicContact NE-OE2 3.65Å; R134-E240 PolarHBondContact NE-OE2 3.34Å; R134-E240 IonicContact NH2-OE1 2.78Å; R134-E240 IonicContact NH2-OE2 3.37Å; R134-E240 PolarHBondContact NH2-OE2 2.67Å; R134-F256 HydrophobicContact CG-CD2 4.11Å; R134-F256 HydrophobicContact CG-CE1 3.98Å; R134-F256 HydrophobicContact CG-CE2 3.54Å; R134-F256 HydrophobicContact CG-CZ 3.47Å; R134-F256 VanDerWaalsContact CG-CZ 3.47Å; R134-E266 IonicContact NH1-OE1 3.75Å
135S95.6Very high94.2Very high0 Ų040.4 Ų40.40%023%0.225CC..  trans-83.6144.9174.675.40000112.1R122 K131 P132 D133 L145R122-S135 PolarHBondContact NH2-O 2.87Å; K131-S135 WeakPolarHBondContact CA-OG 3.25Å; K131-S135 WeakPolarHBondContact CB-OG 3.43Å; P132-S135 WeakPolarHBondContact CD-OG 3.49Å; P132-S135 VanDerWaalsContact N-OG 3.13Å; P132-S135 VanDerWaalsContact O-CB 3.3Å; P132-S135 WeakPolarHBondContact O-CB 3.49Å; P132-S135 PolarHBondContact O-N 3.39Å; P132-S135 PolarHBondContact O-OG 3.32Å; D133-S135 PolarHBondContact O-N 3.42Å; S135-L145 WeakPolarHBondContact CA-O 3.4Å; S135-L145 VanDerWaalsContact CB-O 3.26Å; S135-L145 WeakPolarHBondContact CB-O 3.4Å
136H96.6Very high94.3Very high57 Ų5735.3 Ų35.326%0.26420%0.197SC..EExtended strand (participates in β ladder)trans-141153.2176.3-64.3-101.4000110.6R134 C144 L145 M148 L239R134-H136 PolarHBondContact O-CD2 3.14Å; H136-C144 WeakPolarHBondContact O-CA 3.34Å; H136-L145 PolarHBondContact N-O 3.46Å; H136-L145 PolarHBondContact O-N 2.53Å; H136-M148 HydrophobicContact CB-CB 3.96Å; H136-M148 HydrophobicContact CB-CG 4.34Å; H136-M148 HydrophobicContact CB-SD 3.69Å; H136-L239 HydrophobicContact CB-CD1 3.93Å
137H97.3Very high94.4Very high42 Ų4228.8 Ų28.819%0.19417%0.169CC..EExtended strand (participates in β ladder)trans-85.7124.3173.6-178.496.2000109.4K126 C127K126-H137 WeakPolarHBondContact CD-NE2 3.36Å; C127-H137 VanDerWaalsContact SG-CE1 3.54Å; C127-H137 PolarHBondContact SG-ND1 2.89Å
138C97.2Very high94.6Very high6 Ų628.3 Ų28.34%0.04117%0.165CC..EExtended strand (participates in β ladder)trans-96.4118.8169.1178.60000109.1V140 C141 G142 T143 L145 M148 C158C138-V140 PolarHBondContact O-N 3.19Å; C138-V140 PolarHBondContact SG-N 3.19Å; C138-C141 HydrophobicContact CB-CB 3.89Å; C138-C141 PolarHBondContact O-N 2.78Å; C138-C141 PolarHBondContact SG-N 3.31Å; C138-C141 VanDerWaalsContact SG-N 3.36Å; C138-G142 WeakPolarHBondContact O-CA 3.33Å; C138-G142 PolarHBondContact O-N 3.01Å; C138-T143 PolarHBondContact N-O 3.34Å; C138-T143 PolarHBondContact O-N 3.22Å; C138-L145 HydrophobicContact CB-CD1 4.07Å; C138-M148 HydrophobicContact CB-CE 3.68Å; C138-M148 HydrophobicContact CB-SD 3.91Å; C138-C158 WeakPolarHBondContact CB-SG 3.24Å; C138-C158 PolarHBondContact SG-SG 3.32Å
139S94.4Very high94.8Very high90 Ų9024.5 Ų24.563%0.62915%0.148SC*.THydrogen-bonded Turntrans-61.5-32.7176.8490000112.9G142S139-G142 PolarHBondContact O-N 2.99Å
140V91.8Very high95.2Very high66 Ų6625 Ų2540%0.415%0.15SC..THydrogen-bonded Turntrans-75.7-40.5-179.8-174.50000111.6R23 C138 G142 H151R23-V140 VanDerWaalsContact CZ-CG1 3.45Å; R23-V140 PolarHBondContact NH1-O 2.78Å; C138-V140 PolarHBondContact O-N 3.19Å; C138-V140 PolarHBondContact SG-N 3.19Å; V140-G142 VanDerWaalsContact C-N 3.29Å; V140-H151 VanDerWaalsContact CG1-CE1 3.44Å; V140-H151 WeakPolarHBondContact CG1-CE1 3.45Å; V140-H151 WeakPolarHBondContact CG1-NE2 3.17Å
141C92.7Very high95.4Very high34 Ų3426.9 Ų26.923%0.2316%0.159CC..THydrogen-bonded Turntrans-78.5-14.2173.1-63.80000112C138 T143 L145 H151 C158C138-C141 HydrophobicContact CB-CB 3.89Å; C138-C141 PolarHBondContact O-N 2.78Å; C138-C141 PolarHBondContact SG-N 3.31Å; C138-C141 VanDerWaalsContact SG-N 3.36Å; C141-T143 VanDerWaalsContact C-N 3.26Å; C141-T143 HydrophobicContact CB-CG2 4.39Å; C141-T143 PolarHBondContact O-N 3.45Å; C141-L145 HydrophobicContact CB-CD1 4.43Å; C141-H151 VanDerWaalsContact SG-CE1 3.59Å; C141-H151 PolarHBondContact SG-ND1 3.27Å; C141-C158 WeakPolarHBondContact CB-SG 3.39Å; C141-C158 WeakPolarHBondContact SG-CB 3.28Å; C141-C158 CovalentContact SG-SG 2.09Å; C141-C158 PolarHBondContact SG-SG 2.87Å
142G93.8Very high95.6Very high51 Ų5125 Ų2553%0.52615%0.152SC..THydrogen-bonded Turntrans69.615.3178.300000114.9C138 S139 V140C138-G142 WeakPolarHBondContact O-CA 3.33Å; C138-G142 PolarHBondContact O-N 3.01Å; S139-G142 PolarHBondContact O-N 2.99Å; V140-G142 VanDerWaalsContact C-N 3.29Å
143T94.4Very high95.7Very high34 Ų3428.4 Ų28.421%0.20917%0.174CC..EExtended strand (participates in β ladder)trans-152.4162.1-170.5-165.80000113L75 C138 C141 L145L75-T143 HydrophobicContact CD2-CG2 3.68Å; L75-T143 WeakPolarHBondContact CD2-OG1 3.15Å; C138-T143 PolarHBondContact N-O 3.34Å; C138-T143 PolarHBondContact O-N 3.22Å; C141-T143 VanDerWaalsContact C-N 3.26Å; C141-T143 HydrophobicContact CB-CG2 4.39Å; C141-T143 PolarHBondContact O-N 3.45Å; T143-L145 HydrophobicContact CG2-CD2 4.27Å; T143-L145 HydrophobicContact CG2-CG 4.4Å
144C95.3Very high95.9Very high1 Ų134.2 Ų34.21%0.00720%0.195CC..EExtended strand (participates in β ladder)trans-79.8137.6170.4-72.30000111.1L75 P76 C124 H136L75-C144 WeakPolarHBondContact CD2-O 3.46Å; P76-C144 VanDerWaalsContact CD-O 3.24Å; P76-C144 WeakPolarHBondContact CD-O 3.48Å; P76-C144 HydrophobicContact CG-CB 3.78Å; C124-C144 PolarHBondContact SG-SG 2.94Å; H136-C144 WeakPolarHBondContact O-CA 3.34Å
145L94.7Very high96Very high0 Ų033.9 Ų33.90%019%0.194CC..EExtended strand (participates in β ladder)trans-123.2134.7-177.8-65.5161000110.1P73 S135 H136 C138 C141 T143 M148 C158 H160P73-L145 HydrophobicContact CB-CD2 3.56Å; P73-L145 HydrophobicContact CG-CD2 4.27Å; S135-L145 WeakPolarHBondContact CA-O 3.4Å; S135-L145 VanDerWaalsContact CB-O 3.26Å; S135-L145 WeakPolarHBondContact CB-O 3.4Å; H136-L145 PolarHBondContact N-O 3.46Å; H136-L145 PolarHBondContact O-N 2.53Å; C138-L145 HydrophobicContact CB-CD1 4.07Å; C141-L145 HydrophobicContact CB-CD1 4.43Å; T143-L145 HydrophobicContact CG2-CD2 4.27Å; T143-L145 HydrophobicContact CG2-CG 4.4Å; L145-M148 HydrophobicContact CB-CB 4.11Å; L145-M148 HydrophobicContact CB-CG 4.49Å; L145-M148 HydrophobicContact CD1-CG 4.37Å; L145-M148 HydrophobicContact CD1-SD 4.31Å; L145-C158 HydrophobicContact CD1-CB 3.21Å; L145-C158 WeakPolarHBondContact CD1-SG 3.37Å; L145-H160 HydrophobicContact CB-CB 4.1Å
146L94.2Very high96.1Very high0 Ų034.8 Ų34.80%020%0.199CC..THydrogen-bonded Turntrans-68133.3173.4-65.4179.9000110.7R74 L75 P76 P132 M148 F161 A285 L289R74-L146 HydrophobicContact CB-CB 4.43Å; R74-L146 HydrophobicContact CB-CD1 4.41Å; R74-L146 PolarHBondContact O-N 2.7Å; L75-L146 WeakPolarHBondContact O-CD1 3.38Å; P76-L146 HydrophobicContact CG-CD2 4.36Å; P132-L146 HydrophobicContact CB-CD2 4.05Å; P132-L146 HydrophobicContact CG-CD2 3.85Å; L146-M148 VanDerWaalsContact C-N 3.29Å; L146-M148 PolarHBondContact O-N 3.47Å; L146-F161 HydrophobicContact CB-CB 4.08Å; L146-F161 VanDerWaalsContact O-CB 3.22Å; L146-F161 WeakPolarHBondContact O-CB 3.46Å; L146-F161 PolarHBondContact O-N 2.79Å; L146-A285 HydrophobicContact CD1-CB 3.89Å; L146-L289 HydrophobicContact CD2-CD2 4.44Å
147K95.2Very high96.1Very high9 Ų932.8 Ų32.84%0.03919%0.19CC..THydrogen-bonded Turntrans44.254.7-177.2-160.6177.3173.71700111.5R134 D149 H160 F161 N235 T237 E266 F288R134-K147 HydrophobicContact CB-CB 4.46Å; R134-K147 HydrophobicContact CB-CG 4.38Å; R134-K147 VanDerWaalsContact CZ-CE 3.41Å; R134-K147 WeakPolarHBondContact O-CA 3.46Å; R134-K147 PolarHBondContact O-N 2.73Å; K147-D149 PolarHBondContact O-N 2.93Å; K147-H160 CarbonylContact O-C 3.52Å; K147-H160 WeakPolarHBondContact O-CA 3.18Å; K147-F161 HydrophobicContact CB-CB 3.89Å; K147-F161 HydrophobicContact CD-CD2 4.45Å; K147-F161 PolarHBondContact O-N 3.19Å; K147-N235 PolarHBondContact NZ-OD1 3.33Å; K147-T237 HydrophobicContact CG-CG2 3.67Å; K147-E266 IonicContact NZ-OE1 2.68Å; K147-E266 PolarHBondContact NZ-OE1 2.83Å; K147-F288 HydrophobicContact CB-CE1 4.22Å; K147-F288 HydrophobicContact CB-CE2 4.34Å; K147-F288 HydrophobicContact CB-CZ 3.69Å; K147-F288 HydrophobicContact CD-CE2 3.82Å; K147-F288 HydrophobicContact CD-CZ 3.89Å; K147-F288 HydrophobicContact CG-CZ 4.11Å
148M97.5Very high96.2Very high16 Ų1630.8 Ų30.88%0.07918%0.181CC..  trans-65.3129.4179.8-178.8178.2166.600109.3R134 H136 C138 L145 L146 L239R134-M148 PolarHBondContact O-N 2.86Å; H136-M148 HydrophobicContact CB-CB 3.96Å; H136-M148 HydrophobicContact CB-CG 4.34Å; H136-M148 HydrophobicContact CB-SD 3.69Å; C138-M148 HydrophobicContact CB-CE 3.68Å; C138-M148 HydrophobicContact CB-SD 3.91Å; L145-M148 HydrophobicContact CB-CB 4.11Å; L145-M148 HydrophobicContact CB-CG 4.49Å; L145-M148 HydrophobicContact CD1-CG 4.37Å; L145-M148 HydrophobicContact CD1-SD 4.31Å; L146-M148 VanDerWaalsContact C-N 3.29Å; L146-M148 PolarHBondContact O-N 3.47Å; M148-L239 HydrophobicContact CB-CD1 4.39Å; M148-L239 HydrophobicContact CG-CD1 4.19Å; M148-L239 HydrophobicContact SD-CD1 4.38Å
149D98.4Very high96.2Very high1 Ų130.5 Ų30.51%0.00518%0.179CC..  trans-98.1-62.6175.3-164.9-85.8000111.2K147 V159 Y164 H228 T237 T238 L239K147-D149 PolarHBondContact O-N 2.93Å; D149-V159 HydrophobicContact CB-CB 4.39Å; D149-V159 HydrophobicContact CB-CG1 4.15Å; D149-V159 WeakPolarHBondContact CB-O 3.07Å; D149-V159 PolarHBondContact N-O 3.1Å; D149-Y164 HydrophobicContact CB-CD2 4.31Å; D149-Y164 HydrophobicContact CB-CE2 4.3Å; D149-H228 IonicContact OD1-CE1 3.32Å; D149-H228 PolarHBondContact OD1-CE1 3.11Å; D149-H228 VanDerWaalsContact OD1-CE1 3.32Å; D149-T237 WeakPolarHBondContact OD2-CA 3.18Å; D149-T237 WeakPolarHBondContact OD2-CB 3.43Å; D149-T238 WeakPolarHBondContact OD1-CB 3.43Å; D149-T238 PolarHBondContact OD1-OG1 3.43Å; D149-T238 PolarHBondContact OD2-N 3.17Å; D149-T238 PolarHBondContact OD2-OG1 3.33Å; D149-L239 WeakPolarHBondContact O-CG 3.36Å
150H98.2Very high96.3Very high43 Ų4326.2 Ų26.220%0.19915%0.149CC..EExtended strand (participates in β ladder)trans-160.6168.3174.461.4-81.6000110.6V159 F167 H228H150-V159 PolarHBondContact N-O 2.96Å; H150-V159 PolarHBondContact O-N 3.09Å; H150-F167 AromaticContact CE1-CE1 3.8Å; H150-F167 AromaticContact CE1-CZ 3.6Å; H150-F167 AromaticContact NE2-CZ 3.82Å; H150-H228 AromaticContact CE1-NE2 3.95Å
151H97.9Very high96.4Very high45 Ų4523.8 Ų23.821%0.20813%0.133CC..EExtended strand (participates in β ladder)trans-92123.8164.8-172.785.5000108.5V140 C141 C158V140-H151 VanDerWaalsContact CG1-CE1 3.44Å; V140-H151 WeakPolarHBondContact CG1-CE1 3.45Å; V140-H151 WeakPolarHBondContact CG1-NE2 3.17Å; C141-H151 VanDerWaalsContact SG-CE1 3.59Å; C141-H151 PolarHBondContact SG-ND1 3.27Å; H151-C158 PolarHBondContact ND1-SG 3.32Å
152C98.2Very high96.4Very high10 Ų1022.6 Ų22.67%0.06813%0.127CC..EExtended strand (participates in β ladder)trans-110.3110.3-176179.50000110.1W154 V155 N156 N157 V159C152-W154 VanDerWaalsContact C-N 3.25Å; C152-W154 PolarHBondContact O-N 3.47Å; C152-V155 HydrophobicContact CB-CG2 3.65Å; C152-V155 WeakPolarHBondContact O-CG2 3.23Å; C152-V155 PolarHBondContact O-N 3.48Å; C152-N156 PolarHBondContact O-N 3.37Å; C152-N157 PolarHBondContact N-O 3.21Å; C152-N157 PolarHBondContact O-N 3.02Å; C152-V159 HydrophobicContact CB-CG2 3.96Å
153P97.2Very high96.5Very high71 Ų7120.2 Ų20.246%0.46110%0.102SC..G310 helixtrans-59.6-36177.8-24.835000112.8P26 V155 N156P26-P153 WeakPolarHBondContact CB-O 3.34Å; P26-P153 HydrophobicContact CG-CB 4.27Å; P153-V155 PolarHBondContact O-N 3.36Å; P153-V155 VanDerWaalsContact O-N 3.13Å; P153-N156 PolarHBondContact O-N 3.43Å
154W98.1Very high96.6Very high135 Ų13519 Ų1951%0.5119%0.094SC..G310 helixtrans-63.6-17.1-178.5-57.7112.4000114.6P26 F29 I30 Y65 C152P26-W154 HydrophobicContact CB-CD2 4.46Å; P26-W154 HydrophobicContact CB-CE3 3.79Å; P26-W154 HydrophobicContact CB-CZ3 4.18Å; F29-W154 HydrophobicContact CD1-CZ3 4.01Å; F29-W154 HydrophobicContact CE1-CZ3 4.47Å; I30-W154 HydrophobicContact CD1-CE3 3.98Å; I30-W154 HydrophobicContact CD1-CZ3 4.29Å; I30-W154 HydrophobicContact CG1-CE3 3.9Å; I30-W154 HydrophobicContact CG1-CZ3 4.46Å; Y65-W154 PolarHBondContact OH-O 3.1Å; C152-W154 VanDerWaalsContact C-N 3.25Å; C152-W154 PolarHBondContact O-N 3.47Å
155V97.8Very high96.7Very high0 Ų019.3 Ų19.30%010%0.095CC..G310 helixtrans-117.35.6174.7-57.20000112.1Y65 T68 V69 C152 P153 N157 F170Y65-V155 HydrophobicContact CD2-CG1 4.28Å; Y65-V155 HydrophobicContact CE2-CG1 3.89Å; T68-V155 HydrophobicContact CG2-CB 4.19Å; T68-V155 HydrophobicContact CG2-CG1 3.85Å; T68-V155 HydrophobicContact CG2-CG2 4.21Å; V69-V155 HydrophobicContact CG2-CB 3.91Å; V69-V155 HydrophobicContact CG2-CG1 4.37Å; C152-V155 HydrophobicContact CB-CG2 3.65Å; C152-V155 WeakPolarHBondContact O-CG2 3.23Å; C152-V155 PolarHBondContact O-N 3.48Å; P153-V155 PolarHBondContact O-N 3.36Å; P153-V155 VanDerWaalsContact O-N 3.13Å; V155-N157 HydrophobicContact CG2-CB 4.11Å; V155-N157 WeakPolarHBondContact O-CB 3.48Å; V155-N157 PolarHBondContact O-N 3.28Å; V155-F170 HydrophobicContact CG1-CE1 4.38Å
156N97.2Very high96.8Very high19 Ų1919.4 Ų19.410%0.10210%0.095CC..THydrogen-bonded Turntrans40.938.3-171.4-170.716.7000113.6R23 W24 V27 C152 P153R23-N156 WeakPolarHBondContact CB-OD1 3.5Å; R23-N156 PolarHBondContact NE-OD1 2.97Å; R23-N156 WeakPolarHBondContact O-CB 3.34Å; R23-N156 VanDerWaalsContact O-CG 3.27Å; W24-N156 HydrophobicContact CE3-CB 4.36Å; W24-N156 HydrophobicContact CZ3-CB 4.5Å; W24-N156 PolarHBondContact NE1-ND2 2.73Å; V27-N156 HydrophobicContact CG2-CB 3.7Å; C152-N156 PolarHBondContact O-N 3.37Å; P153-N156 PolarHBondContact O-N 3.43Å
157N97.2Very high97Very high15 Ų1519.5 Ų19.58%0.0810%0.095CC..EExtended strand (participates in β ladder)trans-151.6157.1-175.9-159.7-3.5000110.2T68 V69 S71 C152 V155T68-N157 PolarHBondContact O-ND2 2.88Å; V69-N157 PolarHBondContact O-ND2 2.95Å; S71-N157 PolarHBondContact O-ND2 2.97Å; C152-N157 PolarHBondContact N-O 3.21Å; C152-N157 PolarHBondContact O-N 3.02Å; V155-N157 HydrophobicContact CG2-CB 4.11Å; V155-N157 WeakPolarHBondContact O-CB 3.48Å; V155-N157 PolarHBondContact O-N 3.28Å
158C98.2Very high97.2Very high0 Ų019.4 Ų19.40%010%0.095CC..EExtended strand (participates in β ladder)trans-73.6140.3168.4-72.20000109.8C138 C141 L145 H151 H160 N163C138-C158 WeakPolarHBondContact CB-SG 3.24Å; C138-C158 PolarHBondContact SG-SG 3.32Å; C141-C158 WeakPolarHBondContact CB-SG 3.39Å; C141-C158 WeakPolarHBondContact SG-CB 3.28Å; C141-C158 CovalentContact SG-SG 2.09Å; C141-C158 PolarHBondContact SG-SG 2.87Å; L145-C158 HydrophobicContact CD1-CB 3.21Å; L145-C158 WeakPolarHBondContact CD1-SG 3.37Å; H151-C158 PolarHBondContact ND1-SG 3.32Å; C158-H160 PolarHBondContact O-CD2 3.12Å; C158-N163 PolarHBondContact O-ND2 3.43Å
159V98.4Very high97.2Very high0 Ų019.1 Ų19.10%09%0.094CC..EExtended strand (participates in β ladder)trans-91.7118.9167.7-178.30000107.5D149 H150 C152 N163 Y164 F167D149-V159 HydrophobicContact CB-CB 4.39Å; D149-V159 HydrophobicContact CB-CG1 4.15Å; D149-V159 WeakPolarHBondContact CB-O 3.07Å; D149-V159 PolarHBondContact N-O 3.1Å; H150-V159 PolarHBondContact N-O 2.96Å; H150-V159 PolarHBondContact O-N 3.09Å; C152-V159 HydrophobicContact CB-CG2 3.96Å; V159-N163 WeakPolarHBondContact CA-OD1 3.32Å; V159-Y164 HydrophobicContact CG1-CD2 3.63Å; V159-Y164 HydrophobicContact CG1-CE2 4.41Å; V159-F167 HydrophobicContact CG1-CB 3.92Å; V159-F167 HydrophobicContact CG1-CD1 3.97Å; V159-F167 HydrophobicContact CG1-CG 3.88Å; V159-F167 HydrophobicContact CG2-CB 4.42Å; V159-F167 HydrophobicContact CG2-CD2 3.8Å; V159-F167 HydrophobicContact CG2-CE2 4.17Å; V159-F167 HydrophobicContact CG2-CG 4Å
160H95.8Very high97.2Very high1 Ų120.1 Ų20.11%0.00510%0.098CC..  trans-150-172.8-171.564.483000111K72 P73 R74 L145 K147 C158 G162 N163 Y164K72-H160 PolarHBondContact O-CE1 2.76Å; P73-H160 WeakPolarHBondContact CA-NE2 3.38Å; R74-H160 PolarHBondContact N-CE1 3.2Å; R74-H160 PolarHBondContact N-ND1 3.48Å; L145-H160 HydrophobicContact CB-CB 4.1Å; K147-H160 CarbonylContact O-C 3.52Å; K147-H160 WeakPolarHBondContact O-CA 3.18Å; C158-H160 PolarHBondContact O-CD2 3.12Å; H160-G162 PolarHBondContact ND1-N 3Å; H160-G162 VanDerWaalsContact ND1-N 3.1Å; H160-G162 PolarHBondContact O-N 3.31Å; H160-N163 PolarHBondContact N-OD1 3.05Å; H160-N163 PolarHBondContact O-N 3.29Å; H160-N163 PolarHBondContact O-OD1 2.91Å; H160-N163 VanDerWaalsContact O-OD1 3.13Å; H160-Y164 WeakPolarHBondContact O-CB 3.45Å; H160-Y164 PolarHBondContact O-N 3.28Å
161F93.8Very high97.2Very high14 Ų1418.3 Ų18.36%0.0619%0.09CC..THydrogen-bonded Turntrans-45-41.9-178.3177.9-106.3000114.5R74 L146 K147 R282 F288R74-F161 HydrophobicContact CB-CD1 4.47Å; R74-F161 HydrophobicContact CG-CD1 4.26Å; L146-F161 HydrophobicContact CB-CB 4.08Å; L146-F161 VanDerWaalsContact O-CB 3.22Å; L146-F161 WeakPolarHBondContact O-CB 3.46Å; L146-F161 PolarHBondContact O-N 2.79Å; K147-F161 HydrophobicContact CB-CB 3.89Å; K147-F161 HydrophobicContact CD-CD2 4.45Å; K147-F161 PolarHBondContact O-N 3.19Å; F161-R282 VanDerWaalsContact CD2-NH1 3.29Å; F161-R282 HydrophobicContact CZ-CB 4.47Å; F161-R282 VanDerWaalsContact O-CZ 3.29Å; F161-R282 PolarHBondContact O-NH1 3.42Å; F161-F288 HydrophobicContact CD2-CB 4.43Å; F161-F288 HydrophobicContact CD2-CD1 4.42Å; F161-F288 AromaticContact CD2-CD2 3.5Å; F161-F288 HydrophobicContact CD2-CD2 3.5Å; F161-F288 AromaticContact CD2-CE2 3.8Å; F161-F288 HydrophobicContact CD2-CE2 3.8Å; F161-F288 AromaticContact CD2-CG 3.85Å; F161-F288 HydrophobicContact CD2-CG 3.85Å; F161-F288 HydrophobicContact CD2-CZ 4.38Å; F161-F288 HydrophobicContact CE1-CB 4.24Å; F161-F288 HydrophobicContact CE2-CB 3.85Å; F161-F288 AromaticContact CE2-CD2 3.24Å; F161-F288 HydrophobicContact CE2-CD2 3.24Å; F161-F288 AromaticContact CE2-CE2 3.95Å; F161-F288 HydrophobicContact CE2-CE2 3.95Å; F161-F288 AromaticContact CE2-CG 3.65Å; F161-F288 HydrophobicContact CE2-CG 3.65Å; F161-F288 HydrophobicContact CG-CD2 4.48Å; F161-F288 HydrophobicContact CG-CG 4.44Å; F161-F288 HydrophobicContact CZ-CB 3.74Å; F161-F288 HydrophobicContact CZ-CD2 4.05Å; F161-F288 HydrophobicContact CZ-CG 4.06Å
162G92.3Very high97.3Very high10 Ų1017 Ų1710%0.1039%0.089CC..THydrogen-bonded Turntrans-77.2-26.3-170.600000115H160 Y280H160-G162 PolarHBondContact ND1-N 3Å; H160-G162 VanDerWaalsContact ND1-N 3.1Å; H160-G162 PolarHBondContact O-N 3.31Å; G162-Y280 WeakPolarHBondContact O-CE1 3.46Å
163N95.9Very high97.3Very high0 Ų017.8 Ų17.80%09%0.091CC..THydrogen-bonded Turntrans-126.4-1.3-17566.7-12.5000114T68 S71 C158 V159 H160 K165 F166 F167T68-N163 PolarHBondContact O-ND2 3.48Å; S71-N163 VanDerWaalsContact CB-CB 3.48Å; C158-N163 PolarHBondContact O-ND2 3.43Å; V159-N163 WeakPolarHBondContact CA-OD1 3.32Å; H160-N163 PolarHBondContact N-OD1 3.05Å; H160-N163 PolarHBondContact O-N 3.29Å; H160-N163 PolarHBondContact O-OD1 2.91Å; H160-N163 VanDerWaalsContact O-OD1 3.13Å; N163-K165 PolarHBondContact O-N 3.49Å; N163-F166 HydrophobicContact CB-CD2 4.08Å; N163-F166 WeakPolarHBondContact O-CA 3.49Å; N163-F166 WeakPolarHBondContact O-CB 3.37Å; N163-F166 PolarHBondContact O-N 2.84Å; N163-F167 PolarHBondContact O-N 3.27Å
164Y97.4Very high97.3Very high10 Ų1014.9 Ų14.94%0.0397%0.072CC..Hα-helixtrans-54.7-38.3179.1-170.2-116.1000112.5D149 V159 H160 F166 F167 I168 H228 T232 V267D149-Y164 HydrophobicContact CB-CD2 4.31Å; D149-Y164 HydrophobicContact CB-CE2 4.3Å; V159-Y164 HydrophobicContact CG1-CD2 3.63Å; V159-Y164 HydrophobicContact CG1-CE2 4.41Å; H160-Y164 WeakPolarHBondContact O-CB 3.45Å; H160-Y164 PolarHBondContact O-N 3.28Å; Y164-F166 PolarHBondContact O-N 2.87Å; Y164-F167 HydrophobicContact CD2-CD1 4.46Å; Y164-F167 HydrophobicContact CE2-CD1 4.43Å; Y164-F167 PolarHBondContact O-N 3.44Å; Y164-I168 HydrophobicContact CD1-CG1 4.46Å; Y164-I168 HydrophobicContact CE1-CD1 4.25Å; Y164-I168 HydrophobicContact CE1-CG1 4.19Å; Y164-I168 HydrophobicContact CE2-CD1 4.2Å; Y164-I168 WeakPolarHBondContact O-CG1 3.47Å; Y164-I168 PolarHBondContact O-N 3.45Å; Y164-H228 AromaticContact CE2-ND1 3.62Å; Y164-H228 AromaticContact CZ-ND1 3.79Å; Y164-H228 PolarHBondContact OH-ND1 3.01Å; Y164-H228 VanDerWaalsContact OH-ND1 3.09Å; Y164-T232 PolarHBondContact OH-OG1 3.23Å; Y164-V267 HydrophobicContact CD1-CG1 3.83Å; Y164-V267 HydrophobicContact CD1-CG2 3.94Å; Y164-V267 HydrophobicContact CE1-CG1 4.36Å; Y164-V267 HydrophobicContact CE1-CG2 4.14Å
165K96.7Very high97.3Very high6 Ų611 Ų113%0.0266%0.057CC..Hα-helixtrans-56.9-51.1173.8-179.9-172.2170.4-175.30111.3N163 F167 I168 Q169 V267 F268 L274 L277 V279 T281N163-K165 PolarHBondContact O-N 3.49Å; K165-F167 VanDerWaalsContact C-N 3.28Å; K165-F167 PolarHBondContact O-N 3.23Å; K165-I168 PolarHBondContact O-N 3.42Å; K165-Q169 WeakPolarHBondContact O-CG 3.48Å; K165-Q169 PolarHBondContact O-N 3.42Å; K165-V267 HydrophobicContact CB-CG1 4.32Å; K165-F268 HydrophobicContact CD-CD1 4.37Å; K165-F268 HydrophobicContact CG-CD1 3.81Å; K165-F268 HydrophobicContact CG-CE1 4.06Å; K165-L274 PolarHBondContact NZ-O 3.48Å; K165-L277 PolarHBondContact NZ-O 3.32Å; K165-V279 PolarHBondContact NZ-O 2.88Å; K165-T281 PolarHBondContact NZ-OG1 3.23Å
166F97.8Very high97.4Very high2 Ų214.3 Ų14.31%0.0098%0.075CC..Hα-helixtrans-64.7-35.4-178.9-51.6-44.9000111.5Q67 T68 N163 Y164 Q169 F170 P278 Y280Q67-F166 HydrophobicContact CB-CB 3.91Å; Q67-F166 HydrophobicContact CB-CD1 3.95Å; Q67-F166 HydrophobicContact CB-CD2 3.65Å; Q67-F166 HydrophobicContact CB-CE1 4.4Å; Q67-F166 HydrophobicContact CB-CE2 4.1Å; Q67-F166 HydrophobicContact CB-CG 3.57Å; Q67-F166 HydrophobicContact CB-CZ 4.46Å; Q67-F166 HydrophobicContact CG-CD1 4.46Å; T68-F166 WeakPolarHBondContact OG1-CB 3.09Å; T68-F166 PolarHBondContact OG1-O 3.44Å; N163-F166 HydrophobicContact CB-CD2 4.08Å; N163-F166 WeakPolarHBondContact O-CA 3.49Å; N163-F166 WeakPolarHBondContact O-CB 3.37Å; N163-F166 PolarHBondContact O-N 2.84Å; Y164-F166 PolarHBondContact O-N 2.87Å; F166-Q169 PolarHBondContact O-N 2.91Å; F166-F170 VanDerWaalsContact O-CB 3.23Å; F166-F170 WeakPolarHBondContact O-CB 3.22Å; F166-F170 PolarHBondContact O-N 3.44Å; F166-P278 HydrophobicContact CD1-CB 4.24Å; F166-P278 VanDerWaalsContact CE1-C 3.48Å; F166-Y280 HydrophobicContact CE2-CD1 4.03Å; F166-Y280 AromaticContact CE2-CE1 3.54Å; F166-Y280 HydrophobicContact CE2-CE1 3.54Å; F166-Y280 HydrophobicContact CE2-CE2 4.05Å; F166-Y280 HydrophobicContact CE2-CG 4.49Å; F166-Y280 AromaticContact CE2-CZ 3.55Å; F166-Y280 AromaticContact CZ-CD1 3.82Å; F166-Y280 HydrophobicContact CZ-CD1 3.82Å; F166-Y280 HydrophobicContact CZ-CD2 4.01Å; F166-Y280 AromaticContact CZ-CE1 3.81Å; F166-Y280 HydrophobicContact CZ-CE1 3.81Å; F166-Y280 AromaticContact CZ-CE2 3.97Å; F166-Y280 HydrophobicContact CZ-CE2 3.97Å; F166-Y280 AromaticContact CZ-CG 3.93Å; F166-Y280 HydrophobicContact CZ-CG 3.93Å; F166-Y280 AromaticContact CZ-CZ 3.88Å
167F98.5Very high97.4Very high2 Ų213.9 Ų13.91%0.0097%0.073CC..Hα-helixtrans-62.7-46.3174.5177.4-103.8000112T68 H150 V159 N163 Y164 K165 Q169 F170 L171 L224 H228T68-F167 HydrophobicContact CG2-CB 3.98Å; T68-F167 HydrophobicContact CG2-CD2 4.16Å; T68-F167 PolarHBondContact OG1-N 2.88Å; H150-F167 AromaticContact CE1-CE1 3.8Å; H150-F167 AromaticContact CE1-CZ 3.6Å; H150-F167 AromaticContact NE2-CZ 3.82Å; V159-F167 HydrophobicContact CG1-CB 3.92Å; V159-F167 HydrophobicContact CG1-CD1 3.97Å; V159-F167 HydrophobicContact CG1-CG 3.88Å; V159-F167 HydrophobicContact CG2-CB 4.42Å; V159-F167 HydrophobicContact CG2-CD2 3.8Å; V159-F167 HydrophobicContact CG2-CE2 4.17Å; V159-F167 HydrophobicContact CG2-CG 4Å; N163-F167 PolarHBondContact O-N 3.27Å; Y164-F167 HydrophobicContact CD2-CD1 4.46Å; Y164-F167 HydrophobicContact CE2-CD1 4.43Å; Y164-F167 PolarHBondContact O-N 3.44Å; K165-F167 VanDerWaalsContact C-N 3.28Å; K165-F167 PolarHBondContact O-N 3.23Å; F167-Q169 VanDerWaalsContact C-N 3.35Å; F167-Q169 PolarHBondContact O-N 3.05Å; F167-F170 HydrophobicContact CD2-CD1 4.19Å; F167-F170 HydrophobicContact CE2-CD1 4.49Å; F167-F170 WeakPolarHBondContact O-CB 3.35Å; F167-F170 PolarHBondContact O-N 3.2Å; F167-L171 HydrophobicContact CD1-CD1 4.16Å; F167-L171 HydrophobicContact CE1-CD1 3.55Å; F167-L171 HydrophobicContact CE1-CG 4.3Å; F167-L171 HydrophobicContact CE2-CD1 4.37Å; F167-L171 HydrophobicContact CE2-CD2 4.4Å; F167-L171 HydrophobicContact CE2-CG 4.37Å; F167-L171 HydrophobicContact CZ-CD1 3.68Å; F167-L171 HydrophobicContact CZ-CD2 4.34Å; F167-L171 HydrophobicContact CZ-CG 4.16Å; F167-L171 WeakPolarHBondContact O-CG 3.44Å; F167-L171 PolarHBondContact O-N 3.26Å; F167-L224 HydrophobicContact CZ-CD2 4.27Å; F167-H228 AromaticContact CE1-CD2 3.69Å; F167-H228 AromaticContact CE1-CE1 3.78Å; F167-H228 AromaticContact CE1-NE2 3.53Å
168I98.3Very high97.4Very high7 Ų714 Ų144%0.0367%0.074CC..Hα-helixtrans-62.8-42.2175.3-55.8-60.9000111.4Y164 K165 L171 G172 L225 H228 L229 F268Y164-I168 HydrophobicContact CD1-CG1 4.46Å; Y164-I168 HydrophobicContact CE1-CD1 4.25Å; Y164-I168 HydrophobicContact CE1-CG1 4.19Å; Y164-I168 HydrophobicContact CE2-CD1 4.2Å; Y164-I168 WeakPolarHBondContact O-CG1 3.47Å; Y164-I168 PolarHBondContact O-N 3.45Å; K165-I168 PolarHBondContact O-N 3.42Å; I168-L171 PolarHBondContact O-N 2.66Å; I168-G172 PolarHBondContact O-N 2.81Å; I168-L225 HydrophobicContact CG2-CD1 4.44Å; I168-H228 HydrophobicContact CD1-CB 3.46Å; I168-H228 VanDerWaalsContact CD1-CB 3.46Å; I168-L229 HydrophobicContact CG2-CD2 4.07Å; I168-F268 HydrophobicContact CB-CZ 3.94Å; I168-F268 HydrophobicContact CG1-CZ 4.42Å; I168-F268 HydrophobicContact CG2-CZ 3.72Å
169Q98.1Very high97.4Very high10 Ų1016.3 Ų16.35%0.0479%0.087CC..Hα-helixtrans-63-43.8176.2-71.3173-38.900111.6K165 F166 F167 L171 G172 Y173 F268 W275 F276 L277K165-Q169 WeakPolarHBondContact O-CG 3.48Å; K165-Q169 PolarHBondContact O-N 3.42Å; F166-Q169 PolarHBondContact O-N 2.91Å; F167-Q169 VanDerWaalsContact C-N 3.35Å; F167-Q169 PolarHBondContact O-N 3.05Å; Q169-L171 PolarHBondContact O-N 3.39Å; Q169-G172 PolarHBondContact O-N 3.28Å; Q169-Y173 HydrophobicContact CB-CD2 4.2Å; Q169-Y173 HydrophobicContact CB-CE2 4.06Å; Q169-Y173 WeakPolarHBondContact O-CB 3.47Å; Q169-Y173 WeakPolarHBondContact O-CD2 3.31Å; Q169-Y173 PolarHBondContact O-N 3Å; Q169-F268 HydrophobicContact CG-CE1 4.26Å; Q169-W275 PolarHBondContact NE2-O 3.11Å; Q169-F276 PolarHBondContact NE2-O 2.85Å; Q169-L277 VanDerWaalsContact NE2-C 3.3Å; Q169-L277 PolarHBondContact NE2-O 3.28Å
170F98.5Very high97.3Very high22 Ų2218.1 Ų18.110%0.09610%0.095CC..Hα-helixtrans-56.4-48.5174.8157-117.2000111F61 Y65 V155 F166 F167 Y173 A174F61-F170 HydrophobicContact CD2-CD2 4.2Å; F61-F170 HydrophobicContact CD2-CE2 4.39Å; F61-F170 AromaticContact CE2-CD2 3.76Å; F61-F170 HydrophobicContact CE2-CD2 3.76Å; F61-F170 AromaticContact CE2-CE2 3.52Å; F61-F170 HydrophobicContact CE2-CE2 3.52Å; F61-F170 HydrophobicContact CZ-CE2 4.01Å; Y65-F170 AromaticContact CD2-CD2 3.72Å; Y65-F170 HydrophobicContact CD2-CD2 3.72Å; Y65-F170 HydrophobicContact CD2-CE1 4.35Å; Y65-F170 AromaticContact CD2-CE2 3.42Å; Y65-F170 HydrophobicContact CD2-CE2 3.42Å; Y65-F170 VanDerWaalsContact CD2-CE2 3.42Å; Y65-F170 HydrophobicContact CD2-CG 4.3Å; Y65-F170 AromaticContact CD2-CZ 3.77Å; Y65-F170 HydrophobicContact CD2-CZ 3.77Å; Y65-F170 HydrophobicContact CE2-CE2 4.07Å; Y65-F170 HydrophobicContact CE2-CZ 4.03Å; Y65-F170 HydrophobicContact CG-CD2 4.23Å; Y65-F170 HydrophobicContact CG-CE2 4.13Å; V155-F170 HydrophobicContact CG1-CE1 4.38Å; F166-F170 VanDerWaalsContact O-CB 3.23Å; F166-F170 WeakPolarHBondContact O-CB 3.22Å; F166-F170 PolarHBondContact O-N 3.44Å; F167-F170 HydrophobicContact CD2-CD1 4.19Å; F167-F170 HydrophobicContact CE2-CD1 4.49Å; F167-F170 WeakPolarHBondContact O-CB 3.35Å; F167-F170 PolarHBondContact O-N 3.2Å; F170-Y173 PolarHBondContact O-N 3Å; F170-A174 WeakPolarHBondContact O-CB 3.32Å; F170-A174 PolarHBondContact O-N 3.13Å
171L98.6Very high97.3Very high5 Ų518.4 Ų18.43%0.02610%0.096CC..Hα-helixtrans-62.1-43.6175.4-65.5-179.9000112.1F167 I168 Q169 A174 W175 V221 L224 L225F167-L171 HydrophobicContact CD1-CD1 4.16Å; F167-L171 HydrophobicContact CE1-CD1 3.55Å; F167-L171 HydrophobicContact CE1-CG 4.3Å; F167-L171 HydrophobicContact CE2-CD1 4.37Å; F167-L171 HydrophobicContact CE2-CD2 4.4Å; F167-L171 HydrophobicContact CE2-CG 4.37Å; F167-L171 HydrophobicContact CZ-CD1 3.68Å; F167-L171 HydrophobicContact CZ-CD2 4.34Å; F167-L171 HydrophobicContact CZ-CG 4.16Å; F167-L171 WeakPolarHBondContact O-CG 3.44Å; F167-L171 PolarHBondContact O-N 3.26Å; I168-L171 PolarHBondContact O-N 2.66Å; Q169-L171 PolarHBondContact O-N 3.39Å; L171-A174 PolarHBondContact O-N 3.26Å; L171-W175 VanDerWaalsContact O-CB 3.29Å; L171-W175 WeakPolarHBondContact O-CB 3.2Å; L171-W175 PolarHBondContact O-N 3.23Å; L171-V221 HydrophobicContact CB-CG1 4.47Å; L171-V221 HydrophobicContact CD2-CG1 4.38Å; L171-V221 WeakPolarHBondContact O-CG1 3.26Å; L171-L224 HydrophobicContact CD1-CD2 4.16Å; L171-L224 HydrophobicContact CD1-CG 3.87Å; L171-L224 HydrophobicContact CD2-CD2 3.75Å; L171-L224 HydrophobicContact CD2-CG 4.27Å; L171-L225 HydrophobicContact CB-CB 4.22Å; L171-L225 HydrophobicContact CB-CD1 3.86Å
172G98.4Very high97.3Very high18 Ų1818.3 Ų18.319%0.18610%0.098CC..Hα-helixtrans-62.4-44.4178.600000112.9I168 Q169 W175 L176I168-G172 PolarHBondContact O-N 2.81Å; Q169-G172 PolarHBondContact O-N 3.28Å; G172-W175 WeakPolarHBondContact O-CB 3.38Å; G172-W175 PolarHBondContact O-N 3.05Å; G172-L176 WeakPolarHBondContact O-CG 3.44Å; G172-L176 PolarHBondContact O-N 3.14Å
173Y98.5Very high97.4Very high27 Ų2723.2 Ų23.211%0.10612%0.121CC..Hα-helixtrans-74.8-31.3177.5-67-53.6000112.9V60 S64 Q169 F170 L176 L177 F276V60-Y173 HydrophobicContact CB-CD1 4.31Å; V60-Y173 HydrophobicContact CB-CD2 4.24Å; V60-Y173 HydrophobicContact CB-CE1 4.16Å; V60-Y173 HydrophobicContact CB-CE2 4.05Å; V60-Y173 HydrophobicContact CB-CG 4.36Å; V60-Y173 HydrophobicContact CG2-CD1 3.44Å; V60-Y173 VanDerWaalsContact CG2-CD1 3.44Å; V60-Y173 HydrophobicContact CG2-CD2 4.16Å; V60-Y173 HydrophobicContact CG2-CE1 3.54Å; V60-Y173 HydrophobicContact CG2-CE2 4.23Å; V60-Y173 HydrophobicContact CG2-CG 3.78Å; S64-Y173 WeakPolarHBondContact OG-CD2 3.28Å; S64-Y173 WeakPolarHBondContact OG-CE2 3.48Å; Q169-Y173 HydrophobicContact CB-CD2 4.2Å; Q169-Y173 HydrophobicContact CB-CE2 4.06Å; Q169-Y173 WeakPolarHBondContact O-CB 3.47Å; Q169-Y173 WeakPolarHBondContact O-CD2 3.31Å; Q169-Y173 PolarHBondContact O-N 3Å; F170-Y173 PolarHBondContact O-N 3Å; Y173-L176 HydrophobicContact CD1-CD1 4.14Å; Y173-L176 HydrophobicContact CE1-CD1 4.49Å; Y173-L177 WeakPolarHBondContact O-CB 3.43Å; Y173-L177 PolarHBondContact O-N 3.41Å; Y173-F276 VanDerWaalsContact OH-C 3.31Å; Y173-F276 WeakPolarHBondContact OH-CB 3.48Å; Y173-F276 PolarHBondContact OH-O 3.08Å
174A98.5Very high97.2Very high9 Ų924.1 Ų24.17%0.07413%0.127CC..Hα-helixtrans-62.5-45.4170.200000110.7F61 F170 L171 L177 C178 V221F61-A174 HydrophobicContact CD2-CB 3.97Å; F61-A174 HydrophobicContact CE2-CB 3.68Å; F170-A174 WeakPolarHBondContact O-CB 3.32Å; F170-A174 PolarHBondContact O-N 3.13Å; L171-A174 PolarHBondContact O-N 3.26Å; A174-L177 PolarHBondContact O-N 2.93Å; A174-C178 WeakPolarHBondContact O-CB 3.28Å; A174-C178 PolarHBondContact O-N 2.98Å; A174-C178 PolarHBondContact O-SG 3.49Å; A174-V221 HydrophobicContact CB-CG1 4.12Å; A174-V221 HydrophobicContact CB-CG2 4.42Å
175W98.5Very high96.9Very high53 Ų5323.7 Ų23.720%0.20113%0.125CC..Hα-helixtrans-59.8-50176.5-175.785.5000111.7L171 G172 C178 L179 F218 V221 S222 L225 F226L171-W175 VanDerWaalsContact O-CB 3.29Å; L171-W175 WeakPolarHBondContact O-CB 3.2Å; L171-W175 PolarHBondContact O-N 3.23Å; G172-W175 WeakPolarHBondContact O-CB 3.38Å; G172-W175 PolarHBondContact O-N 3.05Å; W175-C178 PolarHBondContact O-N 3.47Å; W175-L179 HydrophobicContact CH2-CD2 3.78Å; W175-L179 HydrophobicContact CZ2-CD2 4.27Å; W175-L179 HydrophobicContact CZ3-CD2 4Å; W175-L179 WeakPolarHBondContact O-CB 3.31Å; W175-L179 PolarHBondContact O-N 3.41Å; W175-F218 AromaticContact CD1-CD2 3.9Å; W175-F218 AromaticContact CD1-CE2 3.72Å; W175-F218 AromaticContact CD2-CE2 3.99Å; W175-F218 HydrophobicContact CD2-CE2 3.99Å; W175-F218 AromaticContact CE2-CE2 3.33Å; W175-F218 AromaticContact CE2-CZ 3.87Å; W175-F218 HydrophobicContact CG-CD2 4.41Å; W175-F218 HydrophobicContact CG-CE2 4.21Å; W175-F218 AromaticContact CZ2-CE2 3.67Å; W175-F218 HydrophobicContact CZ2-CE2 3.67Å; W175-F218 AromaticContact CZ2-CZ 3.88Å; W175-F218 HydrophobicContact CZ2-CZ 3.88Å; W175-F218 AromaticContact NE1-CD2 3.8Å; W175-F218 AromaticContact NE1-CE2 3.16Å; W175-F218 AromaticContact NE1-CZ 3.62Å; W175-V221 HydrophobicContact CB-CG1 3.97Å; W175-S222 PolarHBondContact NE1-OG 3.17Å; W175-L225 HydrophobicContact CB-CD2 3.79Å; W175-L225 HydrophobicContact CD2-CD2 4.33Å; W175-L225 HydrophobicContact CG-CD2 3.84Å; W175-F226 HydrophobicContact CZ2-CZ 4.45Å
176L98.3Very high96.6Very high71 Ų7126.8 Ų26.837%0.37214%0.142SC..Hα-helixtrans-62.5-42.3176.9-72.8171.7000112.5L57 G172 Y173 L179 F180L57-L176 HydrophobicContact CD2-CB 4.27Å; G172-L176 WeakPolarHBondContact O-CG 3.44Å; G172-L176 PolarHBondContact O-N 3.14Å; Y173-L176 HydrophobicContact CD1-CD1 4.14Å; Y173-L176 HydrophobicContact CE1-CD1 4.49Å; L176-L179 PolarHBondContact O-N 3.46Å; L176-F180 WeakPolarHBondContact O-CB 3.42Å; L176-F180 PolarHBondContact O-N 3.43Å
177L97.8Very high96.1Very high9 Ų932 Ų325%0.04716%0.164CC..Hα-helixtrans-65.7-44.9179.4-178.362.5000111.4Y54 L57 L58 F61 Y173 A174 F180 I181Y54-L177 HydrophobicContact CD2-CD1 3.95Å; Y54-L177 HydrophobicContact CE2-CD1 3.78Å; L57-L177 HydrophobicContact CB-CD1 4.15Å; L58-L177 HydrophobicContact CD1-CD2 4.09Å; F61-L177 HydrophobicContact CB-CD2 4.3Å; F61-L177 HydrophobicContact CD1-CD2 4.04Å; F61-L177 HydrophobicContact CG-CD2 4.02Å; Y173-L177 WeakPolarHBondContact O-CB 3.43Å; Y173-L177 PolarHBondContact O-N 3.41Å; A174-L177 PolarHBondContact O-N 2.93Å; L177-F180 PolarHBondContact O-N 3.06Å; L177-I181 HydrophobicContact CD1-CD1 4.09Å; L177-I181 HydrophobicContact CD1-CG1 4.38Å; L177-I181 HydrophobicContact CG-CD1 3.99Å; L177-I181 WeakPolarHBondContact O-CB 3.22Å; L177-I181 VanDerWaalsContact O-CG1 3.26Å; L177-I181 WeakPolarHBondContact O-CG1 3.44Å; L177-I181 PolarHBondContact O-N 3.31Å
178C97.9Very high95.4Very high18 Ų1833.6 Ų33.612%0.12217%0.172CC..Hα-helixtrans-64.4-42.7177.3-65.30000111.6A174 W175 I181 A182 A214 F218A174-C178 WeakPolarHBondContact O-CB 3.28Å; A174-C178 PolarHBondContact O-N 2.98Å; A174-C178 PolarHBondContact O-SG 3.49Å; W175-C178 PolarHBondContact O-N 3.47Å; C178-I181 PolarHBondContact O-N 3.44Å; C178-A182 WeakPolarHBondContact O-CB 3.48Å; C178-A182 PolarHBondContact O-N 2.83Å; C178-A214 WeakPolarHBondContact CB-O 3.37Å; C178-F218 HydrophobicContact CB-CB 3.85Å; C178-F218 HydrophobicContact CB-CD2 4.5Å
179L97.6Very high94.9Very high49 Ų4934.9 Ų34.926%0.25718%0.177SC..Hα-helixtrans-61.7-46.1175.2-177.558.5000111.5W175 L176 A182 L183 F218W175-L179 HydrophobicContact CH2-CD2 3.78Å; W175-L179 HydrophobicContact CZ2-CD2 4.27Å; W175-L179 HydrophobicContact CZ3-CD2 4Å; W175-L179 WeakPolarHBondContact O-CB 3.31Å; W175-L179 PolarHBondContact O-N 3.41Å; L176-L179 PolarHBondContact O-N 3.46Å; L179-A182 PolarHBondContact O-N 3.09Å; L179-L183 HydrophobicContact CD1-CD1 3.89Å; L179-L183 HydrophobicContact CD1-CG 4.02Å; L179-L183 HydrophobicContact CG-CD1 3.95Å; L179-L183 HydrophobicContact CG-CG 4.43Å; L179-L183 WeakPolarHBondContact O-CB 3.3Å; L179-L183 VanDerWaalsContact O-CG 3.3Å; L179-L183 WeakPolarHBondContact O-CG 3.29Å; L179-L183 PolarHBondContact O-N 3.24Å; L179-F218 HydrophobicContact CB-CD2 3.83Å; L179-F218 HydrophobicContact CB-CE2 3.67Å; L179-F218 HydrophobicContact CD1-CD2 4.41Å; L179-F218 HydrophobicContact CD1-CE2 3.82Å; L179-F218 HydrophobicContact CD1-CZ 4Å; L179-F218 HydrophobicContact CD2-CE2 4.17Å; L179-F218 HydrophobicContact CG-CE2 4.09Å
180F96Very high94.4Very high38 Ų3838.7 Ų38.717%0.16720%0.197CC..Hα-helixtrans-59.5-49.8178.9-178.1-93.7000111.2Y41 M50 C53 Y54 L57 L176 L177 L183 T184Y41-F180 HydrophobicContact CE1-CE1 4.43Å; Y41-F180 AromaticContact CZ-CE1 3.89Å; Y41-F180 WeakPolarHBondContact OH-CE1 3.18Å; M50-F180 HydrophobicContact CB-CZ 4.41Å; M50-F180 WeakPolarHBondContact O-CZ 3.28Å; M50-F180 HydrophobicContact SD-CE2 4.22Å; M50-F180 HydrophobicContact SD-CZ 4.01Å; C53-F180 HydrophobicContact CB-CE2 3.88Å; C53-F180 HydrophobicContact CB-CZ 3.71Å; Y54-F180 HydrophobicContact CD2-CD1 4.35Å; Y54-F180 HydrophobicContact CD2-CE1 4.32Å; L57-F180 HydrophobicContact CD1-CB 3.81Å; L57-F180 HydrophobicContact CD1-CD1 4.23Å; L57-F180 HydrophobicContact CD1-CD2 3.94Å; L57-F180 HydrophobicContact CD1-CG 3.73Å; L176-F180 WeakPolarHBondContact O-CB 3.42Å; L176-F180 PolarHBondContact O-N 3.43Å; L177-F180 PolarHBondContact O-N 3.06Å; F180-L183 PolarHBondContact O-N 3.11Å; F180-T184 HydrophobicContact CD1-CG2 4.4Å; F180-T184 HydrophobicContact CD2-CG2 4.47Å; F180-T184 HydrophobicContact CE1-CG2 4.07Å; F180-T184 HydrophobicContact CE2-CG2 4.14Å; F180-T184 HydrophobicContact CZ-CG2 3.93Å; F180-T184 WeakPolarHBondContact O-CG2 3.46Å; F180-T184 PolarHBondContact O-N 3.33Å; F180-T184 PolarHBondContact O-OG1 3.44Å
181I95.1Very high93.7Very high7 Ų738.2 Ų38.24%0.03620%0.197CC..Hα-helixtrans-59.2-48.6176.9-67.8166.7000110.7Y41 Y54 L177 C178 L183 T184 D185 L210 A214Y41-I181 HydrophobicContact CD2-CG1 4.05Å; Y41-I181 HydrophobicContact CD2-CG2 4.19Å; Y41-I181 HydrophobicContact CE2-CB 4.4Å; Y41-I181 HydrophobicContact CE2-CG1 4.08Å; Y41-I181 HydrophobicContact CE2-CG2 4.4Å; Y54-I181 HydrophobicContact CD2-CG1 4.36Å; Y54-I181 HydrophobicContact CE2-CD1 3.99Å; Y54-I181 HydrophobicContact CE2-CG1 3.98Å; L177-I181 HydrophobicContact CD1-CD1 4.09Å; L177-I181 HydrophobicContact CD1-CG1 4.38Å; L177-I181 HydrophobicContact CG-CD1 3.99Å; L177-I181 WeakPolarHBondContact O-CB 3.22Å; L177-I181 VanDerWaalsContact O-CG1 3.26Å; L177-I181 WeakPolarHBondContact O-CG1 3.44Å; L177-I181 PolarHBondContact O-N 3.31Å; C178-I181 PolarHBondContact O-N 3.44Å; I181-L183 VanDerWaalsContact C-N 3.35Å; I181-L183 PolarHBondContact O-N 2.94Å; I181-T184 PolarHBondContact O-N 2.86Å; I181-T184 PolarHBondContact O-OG1 2.88Å; I181-D185 WeakPolarHBondContact O-CB 3.33Å; I181-D185 PolarHBondContact O-N 3.47Å; I181-L210 HydrophobicContact CG2-CD1 3.91Å; I181-L210 HydrophobicContact CG2-CD2 4Å; I181-L210 HydrophobicContact CG2-CG 3.63Å; I181-A214 HydrophobicContact CB-CB 4.12Å; I181-A214 HydrophobicContact CG2-CB 3.74Å
182A95Very high92.9Very high12 Ų1240.7 Ų40.710%0.09921%0.207CC..Hα-helixtrans-60.8-43-178.700000112.1C178 L179 L186 F211 A214C178-A182 WeakPolarHBondContact O-CB 3.48Å; C178-A182 PolarHBondContact O-N 2.83Å; L179-A182 PolarHBondContact O-N 3.09Å; A182-L186 WeakPolarHBondContact O-CB 3.39Å; A182-L186 PolarHBondContact O-N 2.91Å; A182-F211 HydrophobicContact CB-CE2 4.39Å; A182-F211 WeakPolarHBondContact O-CE2 3.5Å; A182-A214 HydrophobicContact CB-CB 4.29Å
183L94.2Very high92.2Very high113 Ų11347.8 Ų47.859%0.59223%0.229SC*.Hα-helixtrans-69.9-41.7179.9-69.5176.4000112.9L179 F180 I181 D185L179-L183 HydrophobicContact CD1-CD1 3.89Å; L179-L183 HydrophobicContact CD1-CG 4.02Å; L179-L183 HydrophobicContact CG-CD1 3.95Å; L179-L183 HydrophobicContact CG-CG 4.43Å; L179-L183 WeakPolarHBondContact O-CB 3.3Å; L179-L183 VanDerWaalsContact O-CG 3.3Å; L179-L183 WeakPolarHBondContact O-CG 3.29Å; L179-L183 PolarHBondContact O-N 3.24Å; F180-L183 PolarHBondContact O-N 3.11Å; I181-L183 VanDerWaalsContact C-N 3.35Å; I181-L183 PolarHBondContact O-N 2.94Å; L183-D185 VanDerWaalsContact C-N 3.33Å
184T92.1Very high91.5Very high19 Ų1950 Ų5012%0.11725%0.245CC..Hα-helixtrans-74.8-26.6-180560000112.5Y41 M50 F180 I181Y41-T184 VanDerWaalsContact CE2-OG1 3.24Å; Y41-T184 WeakPolarHBondContact CE2-OG1 3.12Å; Y41-T184 WeakPolarHBondContact OH-CB 3.32Å; Y41-T184 PolarHBondContact OH-OG1 2.94Å; M50-T184 HydrophobicContact SD-CG2 3.96Å; F180-T184 HydrophobicContact CD1-CG2 4.4Å; F180-T184 HydrophobicContact CD2-CG2 4.47Å; F180-T184 HydrophobicContact CE1-CG2 4.07Å; F180-T184 HydrophobicContact CE2-CG2 4.14Å; F180-T184 HydrophobicContact CZ-CG2 3.93Å; F180-T184 WeakPolarHBondContact O-CG2 3.46Å; F180-T184 PolarHBondContact O-N 3.33Å; F180-T184 PolarHBondContact O-OG1 3.44Å; I181-T184 PolarHBondContact O-N 2.86Å; I181-T184 PolarHBondContact O-OG1 2.88Å
185D89.8Confident90.1Very high0 Ų058.1 Ų58.10%028%0.281CS..Hα-helixtrans-88.4-19.6179.4-159.744.6000113.8I181 L183 K187 H188 F189 I207 F211I181-D185 WeakPolarHBondContact O-CB 3.33Å; I181-D185 PolarHBondContact O-N 3.47Å; L183-D185 VanDerWaalsContact C-N 3.33Å; D185-K187 PolarHBondContact O-N 3.34Å; D185-H188 PolarHBondContact O-N 3Å; D185-H188 IonicContact OD1-CG 3.93Å; D185-H188 IonicContact OD1-ND1 3.3Å; D185-H188 PolarHBondContact OD1-ND1 2.63Å; D185-F189 PolarHBondContact O-N 3.35Å; D185-I207 WeakPolarHBondContact OD1-CG2 3.36Å; D185-F211 HydrophobicContact CB-CD2 4.48Å
186L90.5Very high88.6Confident72 Ų7263 Ų6338%0.37731%0.306SS..Hα-helixtrans-48.9-39.2-180-178.961000113.1A182 F189 I190 F211A182-L186 WeakPolarHBondContact O-CB 3.39Å; A182-L186 PolarHBondContact O-N 2.91Å; L186-F189 PolarHBondContact O-N 3.3Å; L186-I190 HydrophobicContact CD1-CD1 4.1Å; L186-I190 HydrophobicContact CD1-CG1 4.31Å; L186-I190 HydrophobicContact CG-CD1 4Å; L186-I190 VanDerWaalsContact O-CG1 3.29Å; L186-I190 WeakPolarHBondContact O-CG1 3.5Å; L186-I190 PolarHBondContact O-N 2.81Å; L186-F211 HydrophobicContact CB-CE2 4.16Å; L186-F211 HydrophobicContact CD1-CE2 3.85Å; L186-F211 HydrophobicContact CD1-CZ 3.9Å
187K86.9Confident86.7Confident110 Ų11063.1 Ų63.148%0.47831%0.308SS..Hα-helixtrans-65.1-39.6178.171.4-179.4-175.4171.20112.9D185 A191D185-K187 PolarHBondContact O-N 3.34Å; K187-A191 VanDerWaalsContact O-CB 3.3Å; K187-A191 WeakPolarHBondContact O-CB 3.23Å; K187-A191 PolarHBondContact O-N 2.99Å
188H84.2Confident84.9Confident37 Ų3774.6 Ų74.617%0.17135%0.35CS..Hα-helixtrans-76.1-35178.3-49.9104000110.4L45 D185 A191 F192 I207L45-H188 WeakPolarHBondContact CD2-CE1 3.29Å; D185-H188 PolarHBondContact O-N 3Å; D185-H188 IonicContact OD1-CG 3.93Å; D185-H188 IonicContact OD1-ND1 3.3Å; D185-H188 PolarHBondContact OD1-ND1 2.63Å; H188-A191 PolarHBondContact O-N 3.29Å; H188-F192 WeakPolarHBondContact O-CB 3.44Å; H188-F192 PolarHBondContact O-N 2.91Å; H188-I207 HydrophobicContact CB-CD1 4.26Å; H188-I207 HydrophobicContact CB-CG2 3.53Å
189F87.5Confident83.1Confident34 Ų3478.1 Ų78.115%0.14937%0.366CS..Hα-helixtrans-58.7-47.2171.9-176.4-93000111.3D185 L186 F192 W193 M208 F211 F212D185-F189 PolarHBondContact O-N 3.35Å; L186-F189 PolarHBondContact O-N 3.3Å; F189-F192 WeakPolarHBondContact O-CB 3.26Å; F189-F192 PolarHBondContact O-N 2.8Å; F189-W193 AromaticContact CZ-NE1 3.7Å; F189-W193 VanDerWaalsContact O-CD1 3.22Å; F189-M208 HydrophobicContact CE2-CG 4.27Å; F189-F211 HydrophobicContact CB-CB 4.41Å; F189-F211 HydrophobicContact CB-CD1 4.48Å; F189-F211 HydrophobicContact CB-CD2 4.17Å; F189-F211 HydrophobicContact CB-CG 4.1Å; F189-F211 HydrophobicContact CD1-CD1 4.19Å; F189-F211 HydrophobicContact CD1-CE1 4.11Å; F189-F211 HydrophobicContact CD1-CZ 4.46Å; F189-F211 HydrophobicContact CD2-CB 3.79Å; F189-F211 AromaticContact CD2-CD1 3.5Å; F189-F211 HydrophobicContact CD2-CD1 3.5Å; F189-F211 VanDerWaalsContact CD2-CD1 3.5Å; F189-F211 HydrophobicContact CD2-CE1 4.23Å; F189-F211 AromaticContact CD2-CG 3.69Å; F189-F211 HydrophobicContact CD2-CG 3.69Å; F189-F211 HydrophobicContact CE1-CD1 4.32Å; F189-F211 HydrophobicContact CE1-CE1 4.14Å; F189-F211 HydrophobicContact CE2-CB 4.48Å; F189-F211 AromaticContact CE2-CD1 3.64Å; F189-F211 HydrophobicContact CE2-CD1 3.64Å; F189-F211 HydrophobicContact CE2-CE1 4.25Å; F189-F211 HydrophobicContact CE2-CG 4.29Å; F189-F211 HydrophobicContact CG-CB 4.33Å; F189-F211 AromaticContact CG-CD1 3.79Å; F189-F211 HydrophobicContact CG-CD1 3.79Å; F189-F211 HydrophobicContact CG-CD2 4.32Å; F189-F211 HydrophobicContact CG-CE1 4.15Å; F189-F211 AromaticContact CG-CG 3.88Å; F189-F211 HydrophobicContact CG-CG 3.88Å; F189-F211 HydrophobicContact CZ-CD1 4.06Å; F189-F211 HydrophobicContact CZ-CE1 4.21Å; F189-F212 HydrophobicContact CE2-CD2 4.49Å; F189-F212 HydrophobicContact CE2-CE1 4.35Å; F189-F212 AromaticContact CE2-CE2 3.86Å; F189-F212 HydrophobicContact CE2-CE2 3.86Å; F189-F212 AromaticContact CE2-CZ 3.77Å; F189-F212 HydrophobicContact CE2-CZ 3.77Å; F189-F212 HydrophobicContact CZ-CE1 4.36Å; F189-F212 HydrophobicContact CZ-CE2 4.46Å; F189-F212 AromaticContact CZ-CZ 3.92Å; F189-F212 HydrophobicContact CZ-CZ 3.92Å
190I87.9Confident81.6Confident90 Ų9082.5 Ų82.546%0.46239%0.385SS..Hα-helixtrans-64-47.3175.2-66.8165.7000110.7L186 F192 W193 T194L186-I190 HydrophobicContact CD1-CD1 4.1Å; L186-I190 HydrophobicContact CD1-CG1 4.31Å; L186-I190 HydrophobicContact CG-CD1 4Å; L186-I190 VanDerWaalsContact O-CG1 3.29Å; L186-I190 WeakPolarHBondContact O-CG1 3.5Å; L186-I190 PolarHBondContact O-N 2.81Å; I190-F192 PolarHBondContact O-N 3.31Å; I190-W193 PolarHBondContact O-N 2.76Å; I190-T194 HydrophobicContact CG2-CG2 4.03Å; I190-T194 PolarHBondContact O-N 2.75Å; I190-T194 PolarHBondContact O-OG1 3.04Å
191A83.5Confident80.2Confident11 Ų1188.1 Ų88.19%0.09141%0.41CS..Hα-helixtrans-60.7-27.7-17900000113.8K187 H188 W193 T194 N197K187-A191 VanDerWaalsContact O-CB 3.3Å; K187-A191 WeakPolarHBondContact O-CB 3.23Å; K187-A191 PolarHBondContact O-N 2.99Å; H188-A191 PolarHBondContact O-N 3.29Å; A191-W193 VanDerWaalsContact C-N 3.28Å; A191-W193 PolarHBondContact O-N 2.7Å; A191-T194 WeakPolarHBondContact CA-OG1 3.35Å; A191-N197 HydrophobicContact CB-CB 4.39Å
192F82Confident79.1Confident57 Ų5792.9 Ų92.925%0.2544%0.435CS..Hα-helixtrans-63.2-34.1173.2177-96.5000112.2H188 F189 I190 Q204 M208H188-F192 WeakPolarHBondContact O-CB 3.44Å; H188-F192 PolarHBondContact O-N 2.91Å; F189-F192 WeakPolarHBondContact O-CB 3.26Å; F189-F192 PolarHBondContact O-N 2.8Å; I190-F192 PolarHBondContact O-N 3.31Å; F192-Q204 HydrophobicContact CD2-CB 3.79Å; F192-Q204 HydrophobicContact CD2-CG 4.18Å; F192-Q204 HydrophobicContact CE2-CB 3.77Å; F192-Q204 HydrophobicContact CE2-CG 4.44Å; F192-M208 HydrophobicContact CE1-SD 3.9Å; F192-M208 HydrophobicContact CZ-SD 4.2Å
193W84.2Confident78.2Confident168 Ų16893.8 Ų93.864%0.63644%0.439SS*.Hα-helixtrans-92.7-14.6-178.8-67.5103.6000114.1F189 I190 A191F189-W193 AromaticContact CZ-NE1 3.7Å; F189-W193 VanDerWaalsContact O-CD1 3.22Å; I190-W193 PolarHBondContact O-N 2.76Å; A191-W193 VanDerWaalsContact C-N 3.28Å; A191-W193 PolarHBondContact O-N 2.7Å
194T83.8Confident77.3Confident73 Ų7390.3 Ų90.345%0.44842%0.42SS..THydrogen-bonded Turntrans-99.49.2-176.658.50000114.6I190 A191 E196I190-T194 HydrophobicContact CG2-CG2 4.03Å; I190-T194 PolarHBondContact O-N 2.75Å; I190-T194 PolarHBondContact O-OG1 3.04Å; A191-T194 WeakPolarHBondContact CA-OG1 3.35Å; T194-E196 PolarHBondContact O-N 2.88Å
195E69.6Low76.9Confident180 Ų18094.7 Ų94.784%0.84144%0.438SS*.THydrogen-bonded Turntrans55.314.6-175.7-65.5-69.5164.500114.2N197E195-N197 VanDerWaalsContact C-N 3.3Å; E195-N197 PolarHBondContact O-N 3.34Å
196E66.7Low76.8Confident155 Ų15597.4 Ų97.472%0.72445%0.45SS*.  trans-81-12-171.1-160.7173.3179.500112.6T194T194-E196 PolarHBondContact O-N 2.88Å
197N58.7Low76.4Confident74 Ų7494.4 Ų94.440%0.39644%0.435SS..  trans-134.8111.7-175.6-100.3-46.7000113.2A191 E195 M199 Q204A191-N197 HydrophobicContact CB-CB 4.39Å; E195-N197 VanDerWaalsContact C-N 3.3Å; E195-N197 PolarHBondContact O-N 3.34Å; N197-M199 HydrophobicContact CB-CG 4.12Å; N197-M199 PolarHBondContact O-N 3.15Å; N197-Q204 PolarHBondContact O-NE2 2.68Å
198R59.5Low76.5Confident249 Ų24990.6 Ų90.694%0.9442%0.419SS*.  trans-71.248165.1-71.9-170.1-76.9-127.1-2.5112.2
199M60.9Low76.8Confident93 Ų9394.2 Ų94.246%0.45843%0.434SS..  trans-66145.8171-74.2-64.5100.800110N197 K201 Q204N197-M199 HydrophobicContact CB-CG 4.12Å; N197-M199 PolarHBondContact O-N 3.15Å; M199-K201 PolarHBondContact O-N 2.75Å; M199-Q204 HydrophobicContact CB-CG 3.73Å; M199-Q204 PolarHBondContact O-NE2 3.37Å
200Q65.1Low77.1Confident140 Ų14092.7 Ų92.765%0.65443%0.427SS*.  trans-55.9129.7176.5-172.9175.2-2.500109.6N202 T203 Q204Q200-N202 PolarHBondContact O-N 2.79Å; Q200-T203 PolarHBondContact O-N 3.19Å; Q200-Q204 PolarHBondContact O-N 3.47Å
201K67.6Low77.4Confident157 Ų15789.8 Ų89.868%0.68341%0.412SS*.Hα-helixtrans-47.2-38.5-174.1-69.6-174.7177.1-1780113.8M199 Q204 F205M199-K201 PolarHBondContact O-N 2.75Å; K201-Q204 WeakPolarHBondContact O-CB 3.3Å; K201-Q204 PolarHBondContact O-N 2.96Å; K201-F205 WeakPolarHBondContact O-CD2 3.25Å; K201-F205 PolarHBondContact O-N 2.78Å
202N71.5Confident77.9Confident107 Ų10794.3 Ų94.357%0.57243%0.43SS*.Hα-helixtrans-64.8-44.4179.7-68.7-4.3000112.6Q200 Q204 F205 H206Q200-N202 PolarHBondContact O-N 2.79Å; N202-Q204 VanDerWaalsContact C-N 3.28Å; N202-Q204 PolarHBondContact O-N 2.9Å; N202-F205 PolarHBondContact O-N 2.99Å; N202-H206 PolarHBondContact O-CD2 2.89Å; N202-H206 VanDerWaalsContact O-CD2 3.29Å; N202-H206 PolarHBondContact O-N 3.13Å
203T75Confident78.6Confident30 Ų3093.2 Ų93.218%0.18443%0.427CS..Hα-helixtrans-65.4-35.1178.4-48.90000111.2V43 Q200 F205 H206 I207V43-T203 HydrophobicContact CG1-CG2 4.5Å; Q200-T203 PolarHBondContact O-N 3.19Å; T203-F205 PolarHBondContact O-N 3.2Å; T203-H206 PolarHBondContact O-N 2.76Å; T203-I207 HydrophobicContact CG2-CD1 3.94Å; T203-I207 HydrophobicContact CG2-CG1 4.49Å; T203-I207 WeakPolarHBondContact O-CG1 3.44Å; T203-I207 PolarHBondContact O-N 3.29Å; T203-I207 VanDerWaalsContact O-N 3.13Å
204Q76.3Confident79.2Confident40 Ų4085.4 Ų85.419%0.18740%0.399CS..Hα-helixtrans-60-42.5177.7-67.4179.6-40.700112.5F192 N197 M199 Q200 K201 N202 I207 M208F192-Q204 HydrophobicContact CD2-CB 3.79Å; F192-Q204 HydrophobicContact CD2-CG 4.18Å; F192-Q204 HydrophobicContact CE2-CB 3.77Å; F192-Q204 HydrophobicContact CE2-CG 4.44Å; N197-Q204 PolarHBondContact O-NE2 2.68Å; M199-Q204 HydrophobicContact CB-CG 3.73Å; M199-Q204 PolarHBondContact O-NE2 3.37Å; Q200-Q204 PolarHBondContact O-N 3.47Å; K201-Q204 WeakPolarHBondContact O-CB 3.3Å; K201-Q204 PolarHBondContact O-N 2.96Å; N202-Q204 VanDerWaalsContact C-N 3.28Å; N202-Q204 PolarHBondContact O-N 2.9Å; Q204-I207 PolarHBondContact O-N 2.71Å; Q204-M208 PolarHBondContact O-N 3.17Å
205F84Confident79.8Confident111 Ų11183.7 Ų83.749%0.48739%0.389SS..Hα-helixtrans-65.8-43177.5-71.8-67.8000112.3K201 N202 T203 I207 M208 F209K201-F205 WeakPolarHBondContact O-CD2 3.25Å; K201-F205 PolarHBondContact O-N 2.78Å; N202-F205 PolarHBondContact O-N 2.99Å; T203-F205 PolarHBondContact O-N 3.2Å; F205-I207 VanDerWaalsContact C-N 3.34Å; F205-I207 PolarHBondContact O-N 2.96Å; F205-M208 HydrophobicContact CD1-CE 4.36Å; F205-M208 PolarHBondContact O-N 2.96Å; F205-F209 VanDerWaalsContact O-CD2 3.3Å; F205-F209 WeakPolarHBondContact O-CD2 3.29Å; F205-F209 PolarHBondContact O-N 2.85Å
206H86.9Confident81.1Confident57 Ų5780.2 Ų80.226%0.26437%0.374SS..Hα-helixtrans-59.6-44.6178.2-78.9-73.2000112.4W36 Y39 A40 N202 T203 L210W36-H206 AromaticContact NE1-CE1 3.69Å; W36-H206 AromaticContact NE1-ND1 3.26Å; W36-H206 PolarHBondContact NE1-ND1 2.91Å; Y39-H206 AromaticContact CE1-CE1 3.91Å; Y39-H206 AromaticContact CE1-NE2 3.89Å; A40-H206 HydrophobicContact CB-CB 4Å; N202-H206 PolarHBondContact O-CD2 2.89Å; N202-H206 VanDerWaalsContact O-CD2 3.29Å; N202-H206 PolarHBondContact O-N 3.13Å; T203-H206 PolarHBondContact O-N 2.76Å; H206-L210 WeakPolarHBondContact O-CB 3.25Å; H206-L210 PolarHBondContact O-N 3.32Å
207I83Confident82.6Confident10 Ų1075.4 Ų75.45%0.05135%0.351CS..Hα-helixtrans-59.4-54176.4-72.4171.4000110.5A44 D185 H188 T203 Q204 F205 F209 L210 F211A44-I207 HydrophobicContact CB-CD1 3.77Å; A44-I207 HydrophobicContact CB-CG1 3.55Å; D185-I207 WeakPolarHBondContact OD1-CG2 3.36Å; H188-I207 HydrophobicContact CB-CD1 4.26Å; H188-I207 HydrophobicContact CB-CG2 3.53Å; T203-I207 HydrophobicContact CG2-CD1 3.94Å; T203-I207 HydrophobicContact CG2-CG1 4.49Å; T203-I207 WeakPolarHBondContact O-CG1 3.44Å; T203-I207 PolarHBondContact O-N 3.29Å; T203-I207 VanDerWaalsContact O-N 3.13Å; Q204-I207 PolarHBondContact O-N 2.71Å; F205-I207 VanDerWaalsContact C-N 3.34Å; F205-I207 PolarHBondContact O-N 2.96Å; I207-F209 VanDerWaalsContact C-N 3.34Å; I207-F209 PolarHBondContact O-N 3.25Å; I207-L210 WeakPolarHBondContact O-CB 3.27Å; I207-L210 PolarHBondContact O-N 3.29Å; I207-F211 PolarHBondContact O-N 2.8Å
208M87.5Confident84.5Confident30 Ų3074.3 Ų74.315%0.14834%0.343CS..Hα-helixtrans-57.5-47-178.5-175.9-1717100112.1F189 F192 Q204 F205 L210 F211 F212F189-M208 HydrophobicContact CE2-CG 4.27Å; F192-M208 HydrophobicContact CE1-SD 3.9Å; F192-M208 HydrophobicContact CZ-SD 4.2Å; Q204-M208 PolarHBondContact O-N 3.17Å; F205-M208 HydrophobicContact CD1-CE 4.36Å; F205-M208 PolarHBondContact O-N 2.96Å; M208-L210 VanDerWaalsContact C-N 3.33Å; M208-L210 PolarHBondContact O-N 3.42Å; M208-F211 PolarHBondContact O-N 3.47Å; M208-F212 HydrophobicContact CG-CD2 3.99Å; M208-F212 HydrophobicContact CG-CE2 3.62Å; M208-F212 WeakPolarHBondContact O-CD2 3.3Å; M208-F212 PolarHBondContact O-N 3.42Å; M208-F212 HydrophobicContact SD-CE2 4.21Å
209F91.7Very high86.3Confident112 Ų11268.1 Ų68.149%0.49133%0.327SS..Hα-helixtrans-65.3-37.1177.5-88.1-96.1000112W36 F205 I207 F212 V213W36-F209 HydrophobicContact CH2-CB 3.84Å; W36-F209 HydrophobicContact CZ2-CB 3.7Å; F205-F209 VanDerWaalsContact O-CD2 3.3Å; F205-F209 WeakPolarHBondContact O-CD2 3.29Å; F205-F209 PolarHBondContact O-N 2.85Å; I207-F209 VanDerWaalsContact C-N 3.34Å; I207-F209 PolarHBondContact O-N 3.25Å; F209-F212 PolarHBondContact O-N 3.27Å; F209-V213 WeakPolarHBondContact O-CB 3.49Å; F209-V213 VanDerWaalsContact O-CG2 3.23Å; F209-V213 WeakPolarHBondContact O-CG2 3.43Å; F209-V213 PolarHBondContact O-N 3.19Å
210L93.5Very high88Confident2 Ų266.9 Ų66.91%0.0133%0.328CS..Hα-helixtrans-61.4-45.3179-177.362000111.3W36 A40 Y41 I181 H206 I207 M208 V213 A214W36-L210 HydrophobicContact CH2-CB 4.35Å; W36-L210 HydrophobicContact CZ3-CD1 4.33Å; A40-L210 HydrophobicContact CB-CB 4.49Å; A40-L210 HydrophobicContact CB-CD2 4.09Å; Y41-L210 HydrophobicContact CD2-CD2 3.9Å; Y41-L210 HydrophobicContact CG-CD2 4.46Å; I181-L210 HydrophobicContact CG2-CD1 3.91Å; I181-L210 HydrophobicContact CG2-CD2 4Å; I181-L210 HydrophobicContact CG2-CG 3.63Å; H206-L210 WeakPolarHBondContact O-CB 3.25Å; H206-L210 PolarHBondContact O-N 3.32Å; I207-L210 WeakPolarHBondContact O-CB 3.27Å; I207-L210 PolarHBondContact O-N 3.29Å; M208-L210 VanDerWaalsContact C-N 3.33Å; M208-L210 PolarHBondContact O-N 3.42Å; L210-V213 PolarHBondContact O-N 2.94Å; L210-A214 WeakPolarHBondContact O-CB 3.48Å; L210-A214 PolarHBondContact O-N 2.83Å
211F93.7Very high89.5Confident30 Ų3061 Ų6113%0.13230%0.302CS..Hα-helixtrans-58.1-49.4174.9-174.7-97.5000112.3A182 D185 L186 F189 I207 M208 A214 C215A182-F211 HydrophobicContact CB-CE2 4.39Å; A182-F211 WeakPolarHBondContact O-CE2 3.5Å; D185-F211 HydrophobicContact CB-CD2 4.48Å; L186-F211 HydrophobicContact CB-CE2 4.16Å; L186-F211 HydrophobicContact CD1-CE2 3.85Å; L186-F211 HydrophobicContact CD1-CZ 3.9Å; F189-F211 HydrophobicContact CB-CB 4.41Å; F189-F211 HydrophobicContact CB-CD1 4.48Å; F189-F211 HydrophobicContact CB-CD2 4.17Å; F189-F211 HydrophobicContact CB-CG 4.1Å; F189-F211 HydrophobicContact CD1-CD1 4.19Å; F189-F211 HydrophobicContact CD1-CE1 4.11Å; F189-F211 HydrophobicContact CD1-CZ 4.46Å; F189-F211 HydrophobicContact CD2-CB 3.79Å; F189-F211 AromaticContact CD2-CD1 3.5Å; F189-F211 HydrophobicContact CD2-CD1 3.5Å; F189-F211 VanDerWaalsContact CD2-CD1 3.5Å; F189-F211 HydrophobicContact CD2-CE1 4.23Å; F189-F211 AromaticContact CD2-CG 3.69Å; F189-F211 HydrophobicContact CD2-CG 3.69Å; F189-F211 HydrophobicContact CE1-CD1 4.32Å; F189-F211 HydrophobicContact CE1-CE1 4.14Å; F189-F211 HydrophobicContact CE2-CB 4.48Å; F189-F211 AromaticContact CE2-CD1 3.64Å; F189-F211 HydrophobicContact CE2-CD1 3.64Å; F189-F211 HydrophobicContact CE2-CE1 4.25Å; F189-F211 HydrophobicContact CE2-CG 4.29Å; F189-F211 HydrophobicContact CG-CB 4.33Å; F189-F211 AromaticContact CG-CD1 3.79Å; F189-F211 HydrophobicContact CG-CD1 3.79Å; F189-F211 HydrophobicContact CG-CD2 4.32Å; F189-F211 HydrophobicContact CG-CE1 4.15Å; F189-F211 AromaticContact CG-CG 3.88Å; F189-F211 HydrophobicContact CG-CG 3.88Å; F189-F211 HydrophobicContact CZ-CD1 4.06Å; F189-F211 HydrophobicContact CZ-CE1 4.21Å; I207-F211 PolarHBondContact O-N 2.8Å; M208-F211 PolarHBondContact O-N 3.47Å; F211-A214 PolarHBondContact O-N 2.9Å; F211-C215 WeakPolarHBondContact O-CB 3.15Å; F211-C215 PolarHBondContact O-N 3.37Å; F211-C215 PolarHBondContact O-SG 3.09Å
212F94.9Very high91Very high106 Ų10654.1 Ų54.147%0.46527%0.273SS..Hα-helixtrans-63.2-45.2179.7-75.7-59.6000112.5F189 M208 F209 C215 M216F189-F212 HydrophobicContact CE2-CD2 4.49Å; F189-F212 HydrophobicContact CE2-CE1 4.35Å; F189-F212 AromaticContact CE2-CE2 3.86Å; F189-F212 HydrophobicContact CE2-CE2 3.86Å; F189-F212 AromaticContact CE2-CZ 3.77Å; F189-F212 HydrophobicContact CE2-CZ 3.77Å; F189-F212 HydrophobicContact CZ-CE1 4.36Å; F189-F212 HydrophobicContact CZ-CE2 4.46Å; F189-F212 AromaticContact CZ-CZ 3.92Å; F189-F212 HydrophobicContact CZ-CZ 3.92Å; M208-F212 HydrophobicContact CG-CD2 3.99Å; M208-F212 HydrophobicContact CG-CE2 3.62Å; M208-F212 WeakPolarHBondContact O-CD2 3.3Å; M208-F212 PolarHBondContact O-N 3.42Å; M208-F212 HydrophobicContact SD-CE2 4.21Å; F209-F212 PolarHBondContact O-N 3.27Å; F212-C215 PolarHBondContact O-N 3.44Å; F212-M216 WeakPolarHBondContact O-CB 3.22Å; F212-M216 PolarHBondContact O-N 3.41Å
213V96.3Very high92.2Very high33 Ų3353 Ų5320%0.227%0.273CS..Hα-helixtrans-63.5-44177.9172.10000110.4V33 W36 F209 L210 M216 F217V33-V213 HydrophobicContact CG1-CG1 4.13Å; W36-V213 HydrophobicContact CH2-CB 4.36Å; W36-V213 HydrophobicContact CH2-CG2 4Å; W36-V213 HydrophobicContact CZ3-CB 4.11Å; W36-V213 HydrophobicContact CZ3-CG1 4.13Å; W36-V213 HydrophobicContact CZ3-CG2 3.99Å; F209-V213 WeakPolarHBondContact O-CB 3.49Å; F209-V213 VanDerWaalsContact O-CG2 3.23Å; F209-V213 WeakPolarHBondContact O-CG2 3.43Å; F209-V213 PolarHBondContact O-N 3.19Å; L210-V213 PolarHBondContact O-N 2.94Å; V213-M216 PolarHBondContact O-N 3.16Å; V213-F217 HydrophobicContact CG1-CD2 3.67Å; V213-F217 HydrophobicContact CG1-CE2 3.82Å; V213-F217 WeakPolarHBondContact O-CD2 3.4Å; V213-F217 PolarHBondContact O-N 2.09Å
214A96.8Very high93.2Very high5 Ų554.8 Ų54.84%0.04128%0.282CS..Hα-helixtrans-60.7-46.1176.900000111.8C178 I181 A182 L210 F211 F218C178-A214 WeakPolarHBondContact CB-O 3.37Å; I181-A214 HydrophobicContact CB-CB 4.12Å; I181-A214 HydrophobicContact CG2-CB 3.74Å; A182-A214 HydrophobicContact CB-CB 4.29Å; L210-A214 WeakPolarHBondContact O-CB 3.48Å; L210-A214 PolarHBondContact O-N 2.83Å; F211-A214 PolarHBondContact O-N 2.9Å; A214-F218 WeakPolarHBondContact O-CB 3.45Å; A214-F218 PolarHBondContact O-N 3.23Å
215C97.2Very high94.3Very high37 Ų3753.4 Ų53.425%0.2528%0.276CS..Hα-helixtrans-63.8-43.8177.4-68.30000112.4F211 F212 F218 I219F211-C215 WeakPolarHBondContact O-CB 3.15Å; F211-C215 PolarHBondContact O-N 3.37Å; F211-C215 PolarHBondContact O-SG 3.09Å; F212-C215 PolarHBondContact O-N 3.44Å; C215-F218 WeakPolarHBondContact O-CB 3.13Å; C215-F218 PolarHBondContact O-N 3.35Å; C215-I219 WeakPolarHBondContact O-CG1 3.29Å; C215-I219 PolarHBondContact O-N 2.55Å
216M97.3Very high95Very high107 Ų10749.6 Ų49.653%0.52726%0.259SS..Hα-helixtrans-60.9-48.4178.5-178.7-168.871.700111.9F212 V213 S220F212-M216 WeakPolarHBondContact O-CB 3.22Å; F212-M216 PolarHBondContact O-N 3.41Å; V213-M216 PolarHBondContact O-N 3.16Å; M216-S220 WeakPolarHBondContact O-CB 3.19Å; M216-S220 PolarHBondContact O-N 3.2Å; M216-S220 VanDerWaalsContact O-N 3.1Å; M216-S220 PolarHBondContact O-OG 3.36Å
217F97.4Very high95.5Very high54 Ų5450.4 Ų50.424%0.23726%0.26CS..Hα-helixtrans-67-38.5175.7-85.5-74.6000111.6I30 V33 V213 I219 S220 V221I30-F217 HydrophobicContact CD1-CE1 4.26Å; I30-F217 HydrophobicContact CD1-CZ 4.35Å; V33-F217 HydrophobicContact CG1-CE2 4.13Å; V213-F217 HydrophobicContact CG1-CD2 3.67Å; V213-F217 HydrophobicContact CG1-CE2 3.82Å; V213-F217 WeakPolarHBondContact O-CD2 3.4Å; V213-F217 PolarHBondContact O-N 2.09Å; F217-I219 PolarHBondContact O-N 3.39Å; F217-S220 PolarHBondContact O-N 3.32Å; F217-V221 WeakPolarHBondContact O-CB 3.42Å; F217-V221 WeakPolarHBondContact O-CG2 3.17Å; F217-V221 PolarHBondContact O-N 2.9Å
218F98.1Very high96.2Very high51 Ų5150 Ų5022%0.22426%0.258CS..Hα-helixtrans-56.8-49.8176.3176.3-101.4000111.7W175 C178 L179 A214 C215 S222W175-F218 AromaticContact CD1-CD2 3.9Å; W175-F218 AromaticContact CD1-CE2 3.72Å; W175-F218 AromaticContact CD2-CE2 3.99Å; W175-F218 HydrophobicContact CD2-CE2 3.99Å; W175-F218 AromaticContact CE2-CE2 3.33Å; W175-F218 AromaticContact CE2-CZ 3.87Å; W175-F218 HydrophobicContact CG-CD2 4.41Å; W175-F218 HydrophobicContact CG-CE2 4.21Å; W175-F218 AromaticContact CZ2-CE2 3.67Å; W175-F218 HydrophobicContact CZ2-CE2 3.67Å; W175-F218 AromaticContact CZ2-CZ 3.88Å; W175-F218 HydrophobicContact CZ2-CZ 3.88Å; W175-F218 AromaticContact NE1-CD2 3.8Å; W175-F218 AromaticContact NE1-CE2 3.16Å; W175-F218 AromaticContact NE1-CZ 3.62Å; C178-F218 HydrophobicContact CB-CB 3.85Å; C178-F218 HydrophobicContact CB-CD2 4.5Å; L179-F218 HydrophobicContact CB-CD2 3.83Å; L179-F218 HydrophobicContact CB-CE2 3.67Å; L179-F218 HydrophobicContact CD1-CD2 4.41Å; L179-F218 HydrophobicContact CD1-CE2 3.82Å; L179-F218 HydrophobicContact CD1-CZ 4Å; L179-F218 HydrophobicContact CD2-CE2 4.17Å; L179-F218 HydrophobicContact CG-CE2 4.09Å; A214-F218 WeakPolarHBondContact O-CB 3.45Å; A214-F218 PolarHBondContact O-N 3.23Å; C215-F218 WeakPolarHBondContact O-CB 3.13Å; C215-F218 PolarHBondContact O-N 3.35Å; F218-S222 VanDerWaalsContact O-CB 3.26Å; F218-S222 WeakPolarHBondContact O-CB 3.15Å; F218-S222 PolarHBondContact O-N 3.36Å; F218-S222 PolarHBondContact O-OG 2.98Å
219I97.2Very high96.7Very high119 Ų11950.3 Ų50.361%0.6126%0.26SS*.Hα-helixtrans-63-48.4179.1-65.8165.9000110.4C215 F217 S222 S223C215-I219 WeakPolarHBondContact O-CG1 3.29Å; C215-I219 PolarHBondContact O-N 2.55Å; F217-I219 PolarHBondContact O-N 3.39Å; I219-S222 WeakPolarHBondContact O-CB 3.3Å; I219-S222 PolarHBondContact O-N 3.48Å; I219-S223 PolarHBondContact O-N 3.14Å
220S96.8Very high97.1Very high66 Ų6648.7 Ų48.746%0.46225%0.251SS..Hα-helixtrans-63.2-48.5-177.7-57.70000112M216 F217 S222 S223 L224M216-S220 WeakPolarHBondContact O-CB 3.19Å; M216-S220 PolarHBondContact O-N 3.2Å; M216-S220 VanDerWaalsContact O-N 3.1Å; M216-S220 PolarHBondContact O-OG 3.36Å; F217-S220 PolarHBondContact O-N 3.32Å; S220-S222 VanDerWaalsContact C-N 3.33Å; S220-S222 PolarHBondContact O-N 2.82Å; S220-S223 PolarHBondContact O-N 3.27Å; S220-S223 PolarHBondContact O-OG 3.31Å; S220-L224 PolarHBondContact O-N 2.91Å
221V97.5Very high97.3Very high18 Ų1848.6 Ų48.611%0.10925%0.25CS..Hα-helixtrans-67.3-33.9178.9174.40000111.3L171 A174 W175 F217 S223 L224 L225L171-V221 HydrophobicContact CB-CG1 4.47Å; L171-V221 HydrophobicContact CD2-CG1 4.38Å; L171-V221 WeakPolarHBondContact O-CG1 3.26Å; A174-V221 HydrophobicContact CB-CG1 4.12Å; A174-V221 HydrophobicContact CB-CG2 4.42Å; W175-V221 HydrophobicContact CB-CG1 3.97Å; F217-V221 WeakPolarHBondContact O-CB 3.42Å; F217-V221 WeakPolarHBondContact O-CG2 3.17Å; F217-V221 PolarHBondContact O-N 2.9Å; V221-S223 PolarHBondContact O-N 2.9Å; V221-L224 PolarHBondContact O-N 3.48Å; V221-L225 WeakPolarHBondContact O-CB 3.43Å; V221-L225 PolarHBondContact O-N 2.87Å
222S98.1Very high97.5Very high12 Ų1247.3 Ų47.38%0.08425%0.245CC..Hα-helixtrans-54.8-52.6175.3-66.20000110.9W175 F218 I219 S220 L224 L225 F226W175-S222 PolarHBondContact NE1-OG 3.17Å; F218-S222 VanDerWaalsContact O-CB 3.26Å; F218-S222 WeakPolarHBondContact O-CB 3.15Å; F218-S222 PolarHBondContact O-N 3.36Å; F218-S222 PolarHBondContact O-OG 2.98Å; I219-S222 WeakPolarHBondContact O-CB 3.3Å; I219-S222 PolarHBondContact O-N 3.48Å; S220-S222 VanDerWaalsContact C-N 3.33Å; S220-S222 PolarHBondContact O-N 2.82Å; S222-L224 VanDerWaalsContact C-N 3.3Å; S222-L224 PolarHBondContact O-N 3.4Å; S222-L225 PolarHBondContact O-N 2.93Å; S222-F226 WeakPolarHBondContact O-CD2 3.5Å; S222-F226 PolarHBondContact O-N 3.45Å
223S96.8Very high97.6Very high83 Ų8342.9 Ų42.958%0.5823%0.227SC*.Hα-helixtrans-55.9-45.3-179.572.60000112.3I219 S220 V221 Y227I219-S223 PolarHBondContact O-N 3.14Å; S220-S223 PolarHBondContact O-N 3.27Å; S220-S223 PolarHBondContact O-OG 3.31Å; V221-S223 PolarHBondContact O-N 2.9Å; S223-Y227 VanDerWaalsContact O-CB 3.27Å; S223-Y227 WeakPolarHBondContact O-CB 2.96Å; S223-Y227 PolarHBondContact O-N 3.47Å; S223-Y227 VanDerWaalsContact O-N 3.1Å
224L97.4Very high97.6Very high68 Ų6844.7 Ų44.736%0.35623%0.232SC..Hα-helixtrans-71.9-43.3-178-173.961.7000111.9F167 L171 S220 V221 S222 H228F167-L224 HydrophobicContact CZ-CD2 4.27Å; L171-L224 HydrophobicContact CD1-CD2 4.16Å; L171-L224 HydrophobicContact CD1-CG 3.87Å; L171-L224 HydrophobicContact CD2-CD2 3.75Å; L171-L224 HydrophobicContact CD2-CG 4.27Å; S220-L224 PolarHBondContact O-N 2.91Å; V221-L224 PolarHBondContact O-N 3.48Å; S222-L224 VanDerWaalsContact C-N 3.3Å; S222-L224 PolarHBondContact O-N 3.4Å; L224-H228 WeakPolarHBondContact O-CB 3.42Å; L224-H228 PolarHBondContact O-CD2 3.4Å; L224-H228 VanDerWaalsContact O-CD2 3.26Å; L224-H228 PolarHBondContact O-N 3.06Å
225L98.4Very high97.6Very high11 Ų1144.7 Ų44.76%0.05823%0.231CC..Hα-helixtrans-60.1-52.5178.1175.260000110.7I168 L171 W175 V221 S222 Y227 H228 L229I168-L225 HydrophobicContact CG2-CD1 4.44Å; L171-L225 HydrophobicContact CB-CB 4.22Å; L171-L225 HydrophobicContact CB-CD1 3.86Å; W175-L225 HydrophobicContact CB-CD2 3.79Å; W175-L225 HydrophobicContact CD2-CD2 4.33Å; W175-L225 HydrophobicContact CG-CD2 3.84Å; V221-L225 WeakPolarHBondContact O-CB 3.43Å; V221-L225 PolarHBondContact O-N 2.87Å; S222-L225 PolarHBondContact O-N 2.93Å; L225-Y227 VanDerWaalsContact C-N 3.35Å; L225-Y227 PolarHBondContact O-N 3.5Å; L225-H228 PolarHBondContact O-N 3.23Å; L225-L229 HydrophobicContact CD1-CD1 4.1Å; L225-L229 HydrophobicContact CD1-CG 4.1Å; L225-L229 HydrophobicContact CG-CD1 4.04Å; L225-L229 HydrophobicContact CG-CG 4.43Å; L225-L229 WeakPolarHBondContact O-CG 3.49Å; L225-L229 PolarHBondContact O-N 3.43Å
226F98Very high97.5Very high30 Ų3044.4 Ų44.413%0.13223%0.225CC..Hα-helixtrans-67.4-36.3-177.2-68.1-60.4000112.3W175 S222 H228 L229 W230 V310 V314W175-F226 HydrophobicContact CZ2-CZ 4.45Å; S222-F226 WeakPolarHBondContact O-CD2 3.5Å; S222-F226 PolarHBondContact O-N 3.45Å; F226-H228 PolarHBondContact O-N 3.07Å; F226-L229 HydrophobicContact CD1-CD1 4.05Å; F226-L229 HydrophobicContact CE1-CD1 4.37Å; F226-L229 PolarHBondContact O-N 2.95Å; F226-W230 PolarHBondContact O-N 3.4Å; F226-V310 HydrophobicContact CE1-CG1 4.38Å; F226-V314 HydrophobicContact CD1-CG1 4.05Å; F226-V314 HydrophobicContact CD2-CG1 3.69Å; F226-V314 HydrophobicContact CE1-CB 4.26Å; F226-V314 HydrophobicContact CE1-CG1 3.98Å; F226-V314 HydrophobicContact CE1-CG2 4.09Å; F226-V314 HydrophobicContact CE2-CG1 3.63Å; F226-V314 HydrophobicContact CE2-CG2 4.4Å; F226-V314 HydrophobicContact CG-CG1 3.94Å; F226-V314 HydrophobicContact CZ-CB 4.29Å; F226-V314 HydrophobicContact CZ-CG1 3.79Å; F226-V314 HydrophobicContact CZ-CG2 3.84Å
227Y98.3Very high97.6Very high75 Ų7539.5 Ų39.529%0.29420%0.201SC..Hα-helixtrans-57.7-47.3170.6175.8-117.2000111.7S223 L225 W230 L231 T238S223-Y227 VanDerWaalsContact O-CB 3.27Å; S223-Y227 WeakPolarHBondContact O-CB 2.96Å; S223-Y227 PolarHBondContact O-N 3.47Å; S223-Y227 VanDerWaalsContact O-N 3.1Å; L225-Y227 VanDerWaalsContact C-N 3.35Å; L225-Y227 PolarHBondContact O-N 3.5Å; Y227-W230 HydrophobicContact CD2-CE3 4.08Å; Y227-W230 HydrophobicContact CD2-CZ3 4.4Å; Y227-W230 AromaticContact CE2-CE3 3.97Å; Y227-W230 HydrophobicContact CE2-CE3 3.97Å; Y227-W230 AromaticContact CE2-CZ3 3.86Å; Y227-W230 HydrophobicContact CE2-CZ3 3.86Å; Y227-W230 WeakPolarHBondContact O-CB 3.43Å; Y227-W230 PolarHBondContact O-N 3.41Å; Y227-L231 HydrophobicContact CD1-CD1 4Å; Y227-L231 HydrophobicContact CD1-CG 4.5Å; Y227-L231 HydrophobicContact CD2-CG 4.47Å; Y227-L231 HydrophobicContact CE1-CD1 3.45Å; Y227-L231 VanDerWaalsContact CE1-CD1 3.45Å; Y227-L231 HydrophobicContact CE1-CG 4.13Å; Y227-L231 HydrophobicContact CE2-CD1 4.28Å; Y227-L231 HydrophobicContact CE2-CD2 4.16Å; Y227-L231 HydrophobicContact CE2-CG 4.08Å; Y227-L231 WeakPolarHBondContact O-CG 3.31Å; Y227-L231 PolarHBondContact O-N 3.27Å; Y227-T238 HydrophobicContact CE1-CG2 4.46Å
228H98.4Very high97.6Very high2 Ų237.9 Ų37.91%0.00920%0.196CC..Hα-helixtrans-72.4-29.8179.8-86.4-75.5000114.3D149 H150 Y164 F167 I168 L224 L225 F226 L231 T232D149-H228 IonicContact OD1-CE1 3.32Å; D149-H228 PolarHBondContact OD1-CE1 3.11Å; D149-H228 VanDerWaalsContact OD1-CE1 3.32Å; H150-H228 AromaticContact CE1-NE2 3.95Å; Y164-H228 AromaticContact CE2-ND1 3.62Å; Y164-H228 AromaticContact CZ-ND1 3.79Å; Y164-H228 PolarHBondContact OH-ND1 3.01Å; Y164-H228 VanDerWaalsContact OH-ND1 3.09Å; F167-H228 AromaticContact CE1-CD2 3.69Å; F167-H228 AromaticContact CE1-CE1 3.78Å; F167-H228 AromaticContact CE1-NE2 3.53Å; I168-H228 HydrophobicContact CD1-CB 3.46Å; I168-H228 VanDerWaalsContact CD1-CB 3.46Å; L224-H228 WeakPolarHBondContact O-CB 3.42Å; L224-H228 PolarHBondContact O-CD2 3.4Å; L224-H228 VanDerWaalsContact O-CD2 3.26Å; L224-H228 PolarHBondContact O-N 3.06Å; L225-H228 PolarHBondContact O-N 3.23Å; F226-H228 PolarHBondContact O-N 3.07Å; H228-L231 PolarHBondContact O-N 2.85Å; H228-T232 WeakPolarHBondContact O-CB 3.14Å; H228-T232 PolarHBondContact O-N 3.26Å; H228-T232 PolarHBondContact O-OG1 3.01Å
229L98.3Very high97.6Very high36 Ų3638.3 Ų38.319%0.18820%0.2CC..Hα-helixtrans-65-41.5169.7-70.3175.6000110.6I168 L225 F226 T232 S233 F264I168-L229 HydrophobicContact CG2-CD2 4.07Å; L225-L229 HydrophobicContact CD1-CD1 4.1Å; L225-L229 HydrophobicContact CD1-CG 4.1Å; L225-L229 HydrophobicContact CG-CD1 4.04Å; L225-L229 HydrophobicContact CG-CG 4.43Å; L225-L229 WeakPolarHBondContact O-CG 3.49Å; L225-L229 PolarHBondContact O-N 3.43Å; F226-L229 HydrophobicContact CD1-CD1 4.05Å; F226-L229 HydrophobicContact CE1-CD1 4.37Å; F226-L229 PolarHBondContact O-N 2.95Å; L229-T232 PolarHBondContact O-N 3.1Å; L229-S233 PolarHBondContact O-N 3.45Å; L229-F264 HydrophobicContact CD2-CE1 4.11Å; L229-F264 HydrophobicContact CD2-CZ 4.29Å
230W98.2Very high97.6Very high78 Ų7833 Ų3330%0.29517%0.172SC..Hα-helixtrans-62.9-47.2172.7173.281.2000112.1F226 Y227 T232 S233 K234F226-W230 PolarHBondContact O-N 3.4Å; Y227-W230 HydrophobicContact CD2-CE3 4.08Å; Y227-W230 HydrophobicContact CD2-CZ3 4.4Å; Y227-W230 AromaticContact CE2-CE3 3.97Å; Y227-W230 HydrophobicContact CE2-CE3 3.97Å; Y227-W230 AromaticContact CE2-CZ3 3.86Å; Y227-W230 HydrophobicContact CE2-CZ3 3.86Å; Y227-W230 WeakPolarHBondContact O-CB 3.43Å; Y227-W230 PolarHBondContact O-N 3.41Å; W230-T232 VanDerWaalsContact C-N 3.29Å; W230-T232 PolarHBondContact O-N 2.88Å; W230-S233 WeakPolarHBondContact O-CB 3.42Å; W230-S233 PolarHBondContact O-N 3.05Å; W230-S233 VanDerWaalsContact O-N 3.1Å; W230-S233 PolarHBondContact O-OG 2.99Å; W230-K234 PolarHBondContact O-N 3.48Å; W230-K234 VanDerWaalsContact O-N 3.09Å
231L98.3Very high97.6Very high0 Ų030.6 Ų30.60%016%0.157CC..Hα-helixtrans-56.2-44.5174.5-74-178.1000112Y227 H228 S233 K234 N235 R236 A241Y227-L231 HydrophobicContact CD1-CD1 4Å; Y227-L231 HydrophobicContact CD1-CG 4.5Å; Y227-L231 HydrophobicContact CD2-CG 4.47Å; Y227-L231 HydrophobicContact CE1-CD1 3.45Å; Y227-L231 VanDerWaalsContact CE1-CD1 3.45Å; Y227-L231 HydrophobicContact CE1-CG 4.13Å; Y227-L231 HydrophobicContact CE2-CD1 4.28Å; Y227-L231 HydrophobicContact CE2-CD2 4.16Å; Y227-L231 HydrophobicContact CE2-CG 4.08Å; Y227-L231 WeakPolarHBondContact O-CG 3.31Å; Y227-L231 PolarHBondContact O-N 3.27Å; H228-L231 PolarHBondContact O-N 2.85Å; L231-S233 VanDerWaalsContact C-N 3.34Å; L231-S233 PolarHBondContact O-N 3.34Å; L231-K234 CarbonylContact O-C 3.55Å; L231-K234 PolarHBondContact O-N 3.19Å; L231-N235 PolarHBondContact O-N 3.18Å; L231-R236 HydrophobicContact CD2-CB 4.04Å; L231-R236 PolarHBondContact O-N 2.89Å; L231-A241 HydrophobicContact CD2-CB 3.55Å
232T97.1Very high97.5Very high3 Ų337.2 Ų37.22%0.01818%0.184CC..Hα-helixtrans-62.4-42176.4-57.20000111Y164 H228 L229 W230 K234 N235 N263 F264 V267 F268Y164-T232 PolarHBondContact OH-OG1 3.23Å; H228-T232 WeakPolarHBondContact O-CB 3.14Å; H228-T232 PolarHBondContact O-N 3.26Å; H228-T232 PolarHBondContact O-OG1 3.01Å; L229-T232 PolarHBondContact O-N 3.1Å; W230-T232 VanDerWaalsContact C-N 3.29Å; W230-T232 PolarHBondContact O-N 2.88Å; T232-K234 PolarHBondContact O-N 3.1Å; T232-N235 PolarHBondContact O-N 2.78Å; T232-N235 VanDerWaalsContact O-N 3.1Å; T232-N263 VanDerWaalsContact O-CB 3.22Å; T232-N263 WeakPolarHBondContact O-CB 2.94Å; T232-F264 HydrophobicContact CG2-CD1 3.79Å; T232-F264 HydrophobicContact CG2-CD2 4.16Å; T232-F264 HydrophobicContact CG2-CE1 3.8Å; T232-F264 HydrophobicContact CG2-CE2 4.17Å; T232-F264 HydrophobicContact CG2-CG 3.97Å; T232-F264 HydrophobicContact CG2-CZ 3.99Å; T232-V267 HydrophobicContact CG2-CB 4.36Å; T232-V267 HydrophobicContact CG2-CG2 3.99Å; T232-F268 HydrophobicContact CG2-CE2 4.48Å
233S97.4Very high97.4Very high12 Ų1246.2 Ų46.28%0.08422%0.216CC..Hα-helixtrans-61.3-31176.883.40000113.4L229 W230 L231 N263L229-S233 PolarHBondContact O-N 3.45Å; W230-S233 WeakPolarHBondContact O-CB 3.42Å; W230-S233 PolarHBondContact O-N 3.05Å; W230-S233 VanDerWaalsContact O-N 3.1Å; W230-S233 PolarHBondContact O-OG 2.99Å; L231-S233 VanDerWaalsContact C-N 3.34Å; L231-S233 PolarHBondContact O-N 3.34Å; S233-N263 PolarHBondContact O-ND2 2.97Å
234K96.2Very high97.3Very high72 Ų7244.4 Ų44.431%0.31320%0.203SC..THydrogen-bonded Turntrans-96.90.7177.7-57.7-58-179-178.60113.6W230 L231 T232 R236W230-K234 PolarHBondContact O-N 3.48Å; W230-K234 VanDerWaalsContact O-N 3.09Å; L231-K234 CarbonylContact O-C 3.55Å; L231-K234 PolarHBondContact O-N 3.19Å; T232-K234 PolarHBondContact O-N 3.1Å; K234-R236 VanDerWaalsContact C-N 3.35Å; K234-R236 HydrophobicContact CB-CG 4.11Å; K234-R236 PolarHBondContact O-N 3.21Å
235N96.4Very high97.2Very high5 Ų542.1 Ų42.13%0.02719%0.192CC..THydrogen-bonded Turntrans50.248.1-171.8-157-9.4000114.2R134 K147 L231 T232 F256 N263 E266R134-N235 PolarHBondContact NH1-OD1 3.38Å; R134-N235 PolarHBondContact NH2-O 2.97Å; R134-N235 PolarHBondContact NH2-OD1 2.98Å; K147-N235 PolarHBondContact NZ-OD1 3.33Å; L231-N235 PolarHBondContact O-N 3.18Å; T232-N235 PolarHBondContact O-N 2.78Å; T232-N235 VanDerWaalsContact O-N 3.1Å; N235-F256 VanDerWaalsContact CB-O 3.31Å; N235-F256 WeakPolarHBondContact CB-O 3.36Å; N235-F256 VanDerWaalsContact CG-O 3.32Å; N235-F256 PolarHBondContact ND2-O 3.18Å; N235-N263 HydrophobicContact CB-CB 3.96Å; N235-E266 PolarHBondContact ND2-OE2 3.03Å
236R97.1Very high97.1Very high31 Ų3142.6 Ų42.612%0.11720%0.195CC..  trans-113.3145.2176.9-62.4174.9-170.5161.71.2109.6L231 K234 E240 K253 N254L231-R236 HydrophobicContact CD2-CB 4.04Å; L231-R236 PolarHBondContact O-N 2.89Å; K234-R236 VanDerWaalsContact C-N 3.35Å; K234-R236 HydrophobicContact CB-CG 4.11Å; K234-R236 PolarHBondContact O-N 3.21Å; R236-E240 WeakPolarHBondContact CA-OE2 3.2Å; R236-E240 HydrophobicContact CB-CB 4.37Å; R236-K253 PolarHBondContact NE-O 3.3Å; R236-N254 PolarHBondContact NH2-OD1 3.07Å
237T98Very high96.8Very high3 Ų342.5 Ų42.52%0.01820%0.195CC..  trans-82.3164.9159.7700000110.1K147 D149 L239 E240 A241K147-T237 HydrophobicContact CG-CG2 3.67Å; D149-T237 WeakPolarHBondContact OD2-CA 3.18Å; D149-T237 WeakPolarHBondContact OD2-CB 3.43Å; T237-L239 PolarHBondContact O-N 2.93Å; T237-E240 PolarHBondContact N-OE2 3.43Å; T237-E240 PolarHBondContact O-N 3.5Å; T237-E240 VanDerWaalsContact O-N 3.12Å; T237-E240 VanDerWaalsContact OG1-CG 3.29Å; T237-E240 WeakPolarHBondContact OG1-CG 3.27Å; T237-E240 PolarHBondContact OG1-N 2.87Å; T237-A241 PolarHBondContact O-N 3.45Å
238T98.3Very high96.3Very high21 Ų2142.7 Ų42.713%0.12921%0.212CC..Hα-helixtrans-53.7-43.6172.2-60.50000111.3D149 Y227 E240 A241 F242D149-T238 WeakPolarHBondContact OD1-CB 3.43Å; D149-T238 PolarHBondContact OD1-OG1 3.43Å; D149-T238 PolarHBondContact OD2-N 3.17Å; D149-T238 PolarHBondContact OD2-OG1 3.33Å; Y227-T238 HydrophobicContact CE1-CG2 4.46Å; T238-E240 PolarHBondContact O-N 2.96Å; T238-A241 WeakPolarHBondContact O-CB 3.35Å; T238-A241 PolarHBondContact O-N 3.21Å; T238-F242 HydrophobicContact CG2-CD2 3.98Å; T238-F242 HydrophobicContact CG2-CE2 3.66Å; T238-F242 WeakPolarHBondContact O-CD2 3.41Å; T238-F242 PolarHBondContact O-N 2.84Å
239L97.6Very high95.9Very high59 Ų5951.8 Ų51.831%0.30925%0.254SS..Hα-helixtrans-61-42.2176.3-66.3173.6000112.9H136 M148 D149 T237 A241 F242 R243H136-L239 HydrophobicContact CB-CD1 3.93Å; M148-L239 HydrophobicContact CB-CD1 4.39Å; M148-L239 HydrophobicContact CG-CD1 4.19Å; M148-L239 HydrophobicContact SD-CD1 4.38Å; D149-L239 WeakPolarHBondContact O-CG 3.36Å; T237-L239 PolarHBondContact O-N 2.93Å; L239-A241 VanDerWaalsContact C-N 3.32Å; L239-F242 PolarHBondContact O-N 2.78Å; L239-R243 PolarHBondContact O-N 2.91Å
240E97.3Very high95.6Very high8 Ų851.1 Ų51.14%0.03726%0.256CS..Hα-helixtrans-71.6-26.8179.8-69.3162.817800112.7R134 R236 T237 T238 R243 P245R134-E240 VanDerWaalsContact CB-OE1 3.28Å; R134-E240 WeakPolarHBondContact CB-OE1 3.5Å; R134-E240 WeakPolarHBondContact CG-OE1 3.19Å; R134-E240 IonicContact CZ-OE1 3.64Å; R134-E240 IonicContact CZ-OE2 2.71Å; R134-E240 IonicContact NE-OE1 3.56Å; R134-E240 PolarHBondContact NE-OE1 3.37Å; R134-E240 IonicContact NE-OE2 3.65Å; R134-E240 PolarHBondContact NE-OE2 3.34Å; R134-E240 IonicContact NH2-OE1 2.78Å; R134-E240 IonicContact NH2-OE2 3.37Å; R134-E240 PolarHBondContact NH2-OE2 2.67Å; R236-E240 WeakPolarHBondContact CA-OE2 3.2Å; R236-E240 HydrophobicContact CB-CB 4.37Å; T237-E240 PolarHBondContact N-OE2 3.43Å; T237-E240 PolarHBondContact O-N 3.5Å; T237-E240 VanDerWaalsContact O-N 3.12Å; T237-E240 VanDerWaalsContact OG1-CG 3.29Å; T237-E240 WeakPolarHBondContact OG1-CG 3.27Å; T237-E240 PolarHBondContact OG1-N 2.87Å; T238-E240 PolarHBondContact O-N 2.96Å; E240-R243 WeakPolarHBondContact CA-O 3.14Å; E240-R243 CarbonylContact O-C 3.45Å; E240-P245 HydrophobicContact CG-CG 4.37Å
241A96.6Very high95.5Very high16 Ų1651.9 Ų51.913%0.13227%0.271CS..Hα-helixtrans-69-41.117400000111.8L231 T237 T238 L239L231-A241 HydrophobicContact CD2-CB 3.55Å; T237-A241 PolarHBondContact O-N 3.45Å; T238-A241 WeakPolarHBondContact O-CB 3.35Å; T238-A241 PolarHBondContact O-N 3.21Å; L239-A241 VanDerWaalsContact C-N 3.32Å
242F96.1Very high95.4Very high157 Ų15755.4 Ų55.469%0.68929%0.29SS*.Hα-helixtrans-74-41.6174.6-75.2-68.9000112.8T238 L239T238-F242 HydrophobicContact CG2-CD2 3.98Å; T238-F242 HydrophobicContact CG2-CE2 3.66Å; T238-F242 WeakPolarHBondContact O-CD2 3.41Å; T238-F242 PolarHBondContact O-N 2.84Å; L239-F242 PolarHBondContact O-N 2.78Å
243R95.4Very high95.2Very high200 Ų20060 Ų6076%0.75531%0.31SS*.SBendtrans-130.4107.4-178.2-68.4-172.6-178.1178.40.8110.2L239 E240L239-R243 PolarHBondContact O-N 2.91Å; E240-R243 WeakPolarHBondContact CA-O 3.14Å; E240-R243 CarbonylContact O-C 3.45Å
244P95.1Very high95.1Very high45 Ų4563.3 Ų63.329%0.29233%0.326SS..PPolyproline II helixtrans-55.7135.5179.1-1927.2000111.2V246 P251 K253P244-V246 PolarHBondContact O-N 2.84Å; P244-P251 HydrophobicContact CB-CB 4.07Å; P244-K253 HydrophobicContact CB-CG 3.68Å; P244-K253 HydrophobicContact CG-CD 4.24Å; P244-K253 HydrophobicContact CG-CG 3.58Å
245P95.1Very high94.9Very high20 Ų2060.8 Ų60.813%0.1332%0.321CS..PPolyproline II helixtrans-62.2136.3170.419.9-24.4000110.3E240 F247 N252 F256E240-P245 HydrophobicContact CG-CG 4.37Å; P245-F247 HydrophobicContact CB-CE2 3.92Å; P245-F247 HydrophobicContact CB-CZ 4.33Å; P245-F247 HydrophobicContact CG-CE2 3.8Å; P245-F247 HydrophobicContact CG-CZ 4.24Å; P245-F247 WeakPolarHBondContact O-CD2 3.43Å; P245-N252 PolarHBondContact O-N 2.82Å; P245-F256 HydrophobicContact CB-CE2 4.1Å; P245-F256 HydrophobicContact CG-CD2 4.19Å; P245-F256 HydrophobicContact CG-CE2 3.84Å
246V95.1Very high94.8Very high21 Ų2160.9 Ų60.913%0.12732%0.321CS..EExtended strand (participates in β ladder)trans-88.2123.5176.3-176.40000108.8C114 R115 L117 P244 P251C114-V246 CarbonylContact C-O 3.53Å; C114-V246 WeakPolarHBondContact CA-O 3.35Å; R115-V246 HydrophobicContact CB-CG1 4.41Å; R115-V246 PolarHBondContact N-O 3.02Å; L117-V246 HydrophobicContact CD2-CG2 3.98Å; P244-V246 PolarHBondContact O-N 2.84Å; V246-P251 HydrophobicContact CG2-CG 4.28Å
247F93.3Very high94.7Very high28 Ų2861.7 Ų61.712%0.12333%0.327CS..EExtended strand (participates in β ladder)trans-104.5-178.4173-65-94.5000110R113 P245 H249 G250 N252 F256R113-F247 HydrophobicContact CB-CD1 3.96Å; R113-F247 HydrophobicContact CB-CE1 4Å; P245-F247 HydrophobicContact CB-CE2 3.92Å; P245-F247 HydrophobicContact CB-CZ 4.33Å; P245-F247 HydrophobicContact CG-CE2 3.8Å; P245-F247 HydrophobicContact CG-CZ 4.24Å; P245-F247 WeakPolarHBondContact O-CD2 3.43Å; F247-H249 PolarHBondContact O-N 3.14Å; F247-G250 PolarHBondContact N-O 3.38Å; F247-G250 PolarHBondContact O-N 3.32Å; F247-N252 HydrophobicContact CD2-CB 3.77Å; F247-N252 HydrophobicContact CE2-CB 4.03Å; F247-F256 HydrophobicContact CE1-CE1 4.34Å; F247-F256 HydrophobicContact CE1-CE2 4.41Å; F247-F256 HydrophobicContact CE1-CZ 4.04Å; F247-F256 HydrophobicContact CZ-CD2 4.12Å; F247-F256 HydrophobicContact CZ-CE1 4.29Å; F247-F256 AromaticContact CZ-CE2 3.68Å; F247-F256 HydrophobicContact CZ-CE2 3.68Å; F247-F256 AromaticContact CZ-CZ 3.77Å; F247-F256 HydrophobicContact CZ-CZ 3.77Å
248A88Confident94.3Very high80 Ų8063.4 Ų63.466%0.66133%0.334SS*.THydrogen-bonded Turntrans-54.7-34.2176.600000113.4
249H89.2Confident94Very high192 Ų19264.1 Ų64.189%0.88935%0.345SS*.THydrogen-bonded Turntrans-93.913.7178.8-50.6-63.5000113.6F247F247-H249 PolarHBondContact O-N 3.14Å
250G93Very high93.9Very high22 Ų2265.2 Ų65.223%0.22735%0.354CS..EExtended strand (participates in β ladder)trans101-171.6-179.200000114.8F247 N252F247-G250 PolarHBondContact N-O 3.38Å; F247-G250 PolarHBondContact O-N 3.32Å; G250-N252 PolarHBondContact O-N 3.47Å
251P95.3Very high93.7Very high95 Ų9569.9 Ų69.962%0.61738%0.379SS*.EExtended strand (participates in β ladder)trans-65.3127.9-176.4-18.330.7000112.8P244 V246P244-P251 HydrophobicContact CB-CB 4.07Å; V246-P251 HydrophobicContact CG2-CG 4.28Å
252N95.1Very high93.5Very high73 Ų7375.1 Ų75.139%0.3940%0.395SS..  trans-139.6107.7178.8-175.8-6.5000112P245 F247 G250 N254 G255P245-N252 PolarHBondContact O-N 2.82Å; F247-N252 HydrophobicContact CD2-CB 3.77Å; F247-N252 HydrophobicContact CE2-CB 4.03Å; G250-N252 PolarHBondContact O-N 3.47Å; N252-N254 PolarHBondContact O-N 3.23Å; N252-N254 WeakPolarHBondContact OD1-CA 3.24Å; N252-N254 PolarHBondContact OD1-N 3.33Å; N252-G255 PolarHBondContact O-N 3.37Å; N252-G255 PolarHBondContact OD1-N 3.34Å
253K94.3Very high93.4Very high101 Ų10167.6 Ų67.644%0.43936%0.363SS..THydrogen-bonded Turntrans-64.1-19.6176.8-71.4-168.2177.7-174.60113.7R236 P244R236-K253 PolarHBondContact NE-O 3.3Å; P244-K253 HydrophobicContact CB-CG 3.68Å; P244-K253 HydrophobicContact CG-CD 4.24Å; P244-K253 HydrophobicContact CG-CG 3.58Å
254N94.9Very high93.3Very high80 Ų8059.3 Ų59.343%0.42833%0.332SS..THydrogen-bonded Turntrans-104.55.4-177.5-65.9-39.7000113R236 N252 F256 N257R236-N254 PolarHBondContact NH2-OD1 3.07Å; N252-N254 PolarHBondContact O-N 3.23Å; N252-N254 WeakPolarHBondContact OD1-CA 3.24Å; N252-N254 PolarHBondContact OD1-N 3.33Å; N254-F256 PolarHBondContact O-N 3.39Å; N254-N257 HydrophobicContact CB-CB 4.32Å; N254-N257 WeakPolarHBondContact O-CB 3.36Å; N254-N257 PolarHBondContact O-N 3.13Å
255G92.5Very high93.2Very high19 Ų1960.1 Ų60.120%0.19633%0.332CS..THydrogen-bonded Turntrans-63.7-11.9-173.200000115.9R113 N252R113-G255 PolarHBondContact NH1-O 3.14Å; N252-G255 PolarHBondContact O-N 3.37Å; N252-G255 PolarHBondContact OD1-N 3.34Å
256F93.6Very high93Very high7 Ų761.1 Ų61.13%0.03134%0.335CS..THydrogen-bonded Turntrans-114.65.4172.7-60.2-68.9000113.5R113 C114 D133 R134 N235 P245 F247 N254 Y258R113-F256 VanDerWaalsContact CZ-CE1 3.48Å; R113-F256 VanDerWaalsContact NH2-CE1 3.27Å; C114-F256 VanDerWaalsContact SG-CZ 3.58Å; D133-F256 HydrophobicContact CB-CE1 4.47Å; D133-F256 HydrophobicContact CB-CZ 4.18Å; R134-F256 HydrophobicContact CG-CD2 4.11Å; R134-F256 HydrophobicContact CG-CE1 3.98Å; R134-F256 HydrophobicContact CG-CE2 3.54Å; R134-F256 HydrophobicContact CG-CZ 3.47Å; R134-F256 VanDerWaalsContact CG-CZ 3.47Å; N235-F256 VanDerWaalsContact CB-O 3.31Å; N235-F256 WeakPolarHBondContact CB-O 3.36Å; N235-F256 VanDerWaalsContact CG-O 3.32Å; N235-F256 PolarHBondContact ND2-O 3.18Å; P245-F256 HydrophobicContact CB-CE2 4.1Å; P245-F256 HydrophobicContact CG-CD2 4.19Å; P245-F256 HydrophobicContact CG-CE2 3.84Å; F247-F256 HydrophobicContact CE1-CE1 4.34Å; F247-F256 HydrophobicContact CE1-CE2 4.41Å; F247-F256 HydrophobicContact CE1-CZ 4.04Å; F247-F256 HydrophobicContact CZ-CD2 4.12Å; F247-F256 HydrophobicContact CZ-CE1 4.29Å; F247-F256 AromaticContact CZ-CE2 3.68Å; F247-F256 HydrophobicContact CZ-CE2 3.68Å; F247-F256 AromaticContact CZ-CZ 3.77Å; F247-F256 HydrophobicContact CZ-CZ 3.77Å; N254-F256 PolarHBondContact O-N 3.39Å; F256-Y258 WeakPolarHBondContact O-CD2 3.45Å; F256-Y258 VanDerWaalsContact O-CE2 3.3Å; F256-Y258 WeakPolarHBondContact O-CE2 3.38Å; F256-Y258 PolarHBondContact O-N 3.44Å
257N94.3Very high93Very high48 Ų4860.2 Ų60.226%0.25733%0.329SS..  trans-81.9116.1-177.6-176.3-0000110.5N254 G259 N263N254-N257 HydrophobicContact CB-CB 4.32Å; N254-N257 WeakPolarHBondContact O-CB 3.36Å; N254-N257 PolarHBondContact O-N 3.13Å; N257-G259 PolarHBondContact OD1-N 3.36Å; N257-N263 PolarHBondContact OD1-ND2 2.85Å
258Y90.3Very high93Very high40 Ų4059.5 Ų59.516%0.15733%0.326CS..  trans-105.310.9179.9-50.2-60.5000113.1R113 F256 R262 N263 E266 V293 V296R113-Y258 PolarHBondContact NH2-OH 3.47Å; F256-Y258 WeakPolarHBondContact O-CD2 3.45Å; F256-Y258 VanDerWaalsContact O-CE2 3.3Å; F256-Y258 WeakPolarHBondContact O-CE2 3.38Å; F256-Y258 PolarHBondContact O-N 3.44Å; Y258-R262 WeakPolarHBondContact O-CD 3.45Å; Y258-N263 PolarHBondContact N-OD1 3.45Å; Y258-E266 WeakPolarHBondContact CE2-OE2 3.49Å; Y258-V293 HydrophobicContact CE1-CG1 4.19Å; Y258-V293 HydrophobicContact CE1-CG2 3.81Å; Y258-V296 HydrophobicContact CD1-CG2 4.11Å
259G92.8Very high93.1Very high35 Ų3556 Ų5636%0.36130%0.297SS..  trans92.3145.5-169.300000112.5N257 L261 R262 N263N257-G259 PolarHBondContact OD1-N 3.36Å; G259-L261 PolarHBondContact O-N 2.98Å; G259-R262 PolarHBondContact O-N 3.04Å; G259-N263 PolarHBondContact O-N 3.22Å; G259-N263 PolarHBondContact O-ND2 3.47Å; G259-N263 PolarHBondContact O-OD1 2.92Å
260T94.4Very high93.2Very high82 Ų8255.4 Ų55.450%0.50329%0.292SS..Hα-helixtrans-48.7-52.3-167-53.30000113.1R262 N263 F264T260-R262 PolarHBondContact O-N 2.65Å; T260-N263 WeakPolarHBondContact O-CB 3.33Å; T260-N263 PolarHBondContact O-N 3.35Å; T260-F264 HydrophobicContact CG2-CD2 3.91Å; T260-F264 HydrophobicContact CG2-CE2 3.9Å; T260-F264 WeakPolarHBondContact O-CD2 3.45Å; T260-F264 PolarHBondContact O-N 2.87Å
261L93.4Very high93.1Very high107 Ų10763.3 Ų63.356%0.5632%0.315SS*.Hα-helixtrans-60.1-46.6-178.7178.961.5000112.5G259 N263 F264 Q265 W275G259-L261 PolarHBondContact O-N 2.98Å; L261-N263 VanDerWaalsContact C-N 3.29Å; L261-N263 PolarHBondContact O-N 2.81Å; L261-F264 PolarHBondContact O-N 2.91Å; L261-Q265 HydrophobicContact CD1-CG 4.38Å; L261-Q265 WeakPolarHBondContact O-CB 3.29Å; L261-Q265 VanDerWaalsContact O-CG 3.28Å; L261-Q265 WeakPolarHBondContact O-CG 3.42Å; L261-Q265 PolarHBondContact O-N 3.28Å; L261-W275 HydrophobicContact CD1-CH2 4.43Å
262R92.2Very high92.9Very high125 Ų12562.7 Ų62.747%0.47231%0.312SS..Hα-helixtrans-65.5-35.4179.3-66.2-171.5-173.6177.31.7111.3Y258 G259 T260 Q265 E266 S295Y258-R262 WeakPolarHBondContact O-CD 3.45Å; G259-R262 PolarHBondContact O-N 3.04Å; T260-R262 PolarHBondContact O-N 2.65Å; R262-Q265 PolarHBondContact O-N 3.32Å; R262-E266 PolarHBondContact O-N 2.75Å; R262-S295 PolarHBondContact NH1-O 3.33Å; R262-S295 VanDerWaalsContact NH1-O 3.1Å
263N94.1Very high92.7Very high0 Ų066.7 Ų66.70%033%0.332CS..Hα-helixtrans-65.1-43.5176-59.1-22000111.8T232 S233 N235 N257 Y258 G259 T260 L261 E266 V267T232-N263 VanDerWaalsContact O-CB 3.22Å; T232-N263 WeakPolarHBondContact O-CB 2.94Å; S233-N263 PolarHBondContact O-ND2 2.97Å; N235-N263 HydrophobicContact CB-CB 3.96Å; N257-N263 PolarHBondContact OD1-ND2 2.85Å; Y258-N263 PolarHBondContact N-OD1 3.45Å; G259-N263 PolarHBondContact O-N 3.22Å; G259-N263 PolarHBondContact O-ND2 3.47Å; G259-N263 PolarHBondContact O-OD1 2.92Å; T260-N263 WeakPolarHBondContact O-CB 3.33Å; T260-N263 PolarHBondContact O-N 3.35Å; L261-N263 VanDerWaalsContact C-N 3.29Å; L261-N263 PolarHBondContact O-N 2.81Å; N263-E266 WeakPolarHBondContact O-CB 3.42Å; N263-E266 PolarHBondContact O-N 3.48Å; N263-V267 PolarHBondContact O-N 3.38Å
264F94.3Very high92.7Very high26 Ų2664.4 Ų64.411%0.11433%0.325CS..Hα-helixtrans-65.4-40.8172.5-86.5-91.1000111.6L229 T232 T260 L261 E266 V267 F268 W275L229-F264 HydrophobicContact CD2-CE1 4.11Å; L229-F264 HydrophobicContact CD2-CZ 4.29Å; T232-F264 HydrophobicContact CG2-CD1 3.79Å; T232-F264 HydrophobicContact CG2-CD2 4.16Å; T232-F264 HydrophobicContact CG2-CE1 3.8Å; T232-F264 HydrophobicContact CG2-CE2 4.17Å; T232-F264 HydrophobicContact CG2-CG 3.97Å; T232-F264 HydrophobicContact CG2-CZ 3.99Å; T260-F264 HydrophobicContact CG2-CD2 3.91Å; T260-F264 HydrophobicContact CG2-CE2 3.9Å; T260-F264 WeakPolarHBondContact O-CD2 3.45Å; T260-F264 PolarHBondContact O-N 2.87Å; L261-F264 PolarHBondContact O-N 2.91Å; F264-E266 VanDerWaalsContact C-N 3.27Å; F264-E266 PolarHBondContact O-N 3.09Å; F264-V267 PolarHBondContact O-N 3.32Å; F264-F268 AromaticContact CD1-CD2 3.83Å; F264-F268 HydrophobicContact CD1-CD2 3.83Å; F264-F268 AromaticContact CD1-CE2 3.65Å; F264-F268 HydrophobicContact CD1-CE2 3.65Å; F264-F268 HydrophobicContact CE1-CE2 4.07Å; F264-F268 WeakPolarHBondContact O-CD2 3.5Å; F264-F268 PolarHBondContact O-N 3.12Å; F264-W275 HydrophobicContact CB-CH2 3.69Å; F264-W275 HydrophobicContact CB-CZ2 4.37Å; F264-W275 HydrophobicContact CB-CZ3 4.17Å; F264-W275 HydrophobicContact CD1-CZ3 4.33Å; F264-W275 HydrophobicContact CG-CH2 4.5Å
265Q92.8Very high92.7Very high61 Ų6162.1 Ų62.129%0.28531%0.31SS..Hα-helixtrans-62.2-32175.5-73.7173.2-18.500112.8L261 R262 V267 G269 W275L261-Q265 HydrophobicContact CD1-CG 4.38Å; L261-Q265 WeakPolarHBondContact O-CB 3.29Å; L261-Q265 VanDerWaalsContact O-CG 3.28Å; L261-Q265 WeakPolarHBondContact O-CG 3.42Å; L261-Q265 PolarHBondContact O-N 3.28Å; R262-Q265 PolarHBondContact O-N 3.32Å; Q265-V267 VanDerWaalsContact C-N 3.25Å; Q265-V267 PolarHBondContact O-N 3.34Å; Q265-G269 CarbonylContact O-C 3.41Å; Q265-G269 WeakPolarHBondContact O-CA 3.28Å; Q265-G269 PolarHBondContact O-N 2.9Å; Q265-W275 HydrophobicContact CG-CZ2 4.15Å
266E91Very high92.8Very high41 Ų4166.9 Ų66.919%0.19233%0.325CS..Hα-helixtrans-62.3-34172-167.6-170.813100111.6R134 K147 N235 Y258 R262 N263 F264 R282R134-E266 IonicContact NH1-OE1 3.75Å; K147-E266 IonicContact NZ-OE1 2.68Å; K147-E266 PolarHBondContact NZ-OE1 2.83Å; N235-E266 PolarHBondContact ND2-OE2 3.03Å; Y258-E266 WeakPolarHBondContact CE2-OE2 3.49Å; R262-E266 PolarHBondContact O-N 2.75Å; N263-E266 WeakPolarHBondContact O-CB 3.42Å; N263-E266 PolarHBondContact O-N 3.48Å; F264-E266 VanDerWaalsContact C-N 3.27Å; F264-E266 PolarHBondContact O-N 3.09Å; E266-R282 WeakPolarHBondContact O-CD 3.43Å; E266-R282 PolarHBondContact O-NE 3.43Å
267V93.2Very high92.8Very high2 Ų269.9 Ų69.91%0.01234%0.342CS..Hα-helixtrans-87.9-46.1-178.4175.40000112.5Y164 K165 T232 N263 F264 Q265 R282Y164-V267 HydrophobicContact CD1-CG1 3.83Å; Y164-V267 HydrophobicContact CD1-CG2 3.94Å; Y164-V267 HydrophobicContact CE1-CG1 4.36Å; Y164-V267 HydrophobicContact CE1-CG2 4.14Å; K165-V267 HydrophobicContact CB-CG1 4.32Å; T232-V267 HydrophobicContact CG2-CB 4.36Å; T232-V267 HydrophobicContact CG2-CG2 3.99Å; N263-V267 PolarHBondContact O-N 3.38Å; F264-V267 PolarHBondContact O-N 3.32Å; Q265-V267 VanDerWaalsContact C-N 3.25Å; Q265-V267 PolarHBondContact O-N 3.34Å; V267-R282 VanDerWaalsContact O-CZ 3.3Å; V267-R282 PolarHBondContact O-NE 3.2Å; V267-R282 PolarHBondContact O-NH2 2.97Å; V267-R282 VanDerWaalsContact O-NH2 3.15Å
268F93.9Very high92.9Very high13 Ų1367.7 Ų67.76%0.05733%0.33CS..Hα-helixtrans-102.7-9.4-170.4-66.2-87.7000113.8K165 I168 Q169 T232 F264 W275 T281K165-F268 HydrophobicContact CD-CD1 4.37Å; K165-F268 HydrophobicContact CG-CD1 3.81Å; K165-F268 HydrophobicContact CG-CE1 4.06Å; I168-F268 HydrophobicContact CB-CZ 3.94Å; I168-F268 HydrophobicContact CG1-CZ 4.42Å; I168-F268 HydrophobicContact CG2-CZ 3.72Å; Q169-F268 HydrophobicContact CG-CE1 4.26Å; T232-F268 HydrophobicContact CG2-CE2 4.48Å; F264-F268 AromaticContact CD1-CD2 3.83Å; F264-F268 HydrophobicContact CD1-CD2 3.83Å; F264-F268 AromaticContact CD1-CE2 3.65Å; F264-F268 HydrophobicContact CD1-CE2 3.65Å; F264-F268 HydrophobicContact CE1-CE2 4.07Å; F264-F268 WeakPolarHBondContact O-CD2 3.5Å; F264-F268 PolarHBondContact O-N 3.12Å; F268-W275 HydrophobicContact CB-CB 4.24Å; F268-W275 VanDerWaalsContact CB-CD1 3.46Å; F268-W275 HydrophobicContact CB-CD2 3.62Å; F268-W275 HydrophobicContact CB-CE3 4.35Å; F268-W275 HydrophobicContact CB-CG 3.55Å; F268-W275 HydrophobicContact CB-CZ2 4.32Å; F268-W275 HydrophobicContact CD1-CB 4.19Å; F268-W275 HydrophobicContact CD1-CG 4.36Å; F268-W275 HydrophobicContact CG-CB 4.47Å; F268-W275 HydrophobicContact CG-CD2 4.14Å; F268-W275 HydrophobicContact CG-CE3 4.44Å; F268-W275 HydrophobicContact CG-CG 4.17Å; F268-T281 VanDerWaalsContact C-OG1 3.27Å; F268-T281 VanDerWaalsContact O-CB 3.28Å; F268-T281 WeakPolarHBondContact O-CB 3.28Å; F268-T281 PolarHBondContact O-OG1 3.36Å
269G91.5Very high93.1Very high6 Ų668 Ų686%0.06234%0.336CS..  trans86172.1-176.900000113Q265 R271 W275Q265-G269 CarbonylContact O-C 3.41Å; Q265-G269 WeakPolarHBondContact O-CA 3.28Å; Q265-G269 PolarHBondContact O-N 2.9Å; G269-R271 VanDerWaalsContact C-N 3.35Å; G269-R271 PolarHBondContact O-N 2.95Å; G269-W275 PolarHBondContact O-NE1 3.04Å
270K90.2Very high93Very high180 Ų18071.9 Ų71.978%0.78334%0.34SS*.SBendtrans-75.7-16.5-175.6-66.6-175.2178.9-178.70114.7P272K270-P272 VanDerWaalsContact O-CD 3.32Å; K270-P272 WeakPolarHBondContact O-CD 3.48Å
271R91.5Very high92.7Very high188 Ų18869.5 Ų69.571%0.70933%0.326SS*.  trans-98.3103.4-176-66.2-177-178.3175.30.3110.6G269 L273 L274G269-R271 VanDerWaalsContact C-N 3.35Å; G269-R271 PolarHBondContact O-N 2.95Å; R271-L273 VanDerWaalsContact C-N 3.27Å; R271-L273 PolarHBondContact O-N 2.81Å; R271-L274 HydrophobicContact CB-CD1 4.22Å; R271-L274 HydrophobicContact CB-CG 4.33Å; R271-L274 PolarHBondContact O-N 2.99Å; R271-L274 VanDerWaalsContact O-N 3.09Å
272P90Very high91.6Very high83 Ų8366.8 Ų66.854%0.53931%0.308SS..G310 helixtrans-59.8-33-174.8-25.436.9000114.1K270 L274 W275K270-P272 VanDerWaalsContact O-CD 3.32Å; K270-P272 WeakPolarHBondContact O-CD 3.48Å; P272-L274 PolarHBondContact O-N 3.27Å; P272-L274 VanDerWaalsContact O-N 3.11Å; P272-W275 VanDerWaalsContact CA-CD1 3.47Å; P272-W275 WeakPolarHBondContact O-CB 3.4Å; P272-W275 PolarHBondContact O-N 3.26Å
273L91.2Very high90Very high157 Ų15767.2 Ų67.282%0.82232%0.319SS*.G310 helixtrans-58.3-27.2177.8-62.4176.5000113.2R271R271-L273 VanDerWaalsContact C-N 3.27Å; R271-L273 PolarHBondContact O-N 2.81Å
274L94.2Very high88.4Confident53 Ų5372.8 Ų72.828%0.27735%0.349SS..G310 helixtrans-942179.4-56.7179.2000112.8K165 R271 P272 F276 L277 V279 T281K165-L274 PolarHBondContact NZ-O 3.48Å; R271-L274 HydrophobicContact CB-CD1 4.22Å; R271-L274 HydrophobicContact CB-CG 4.33Å; R271-L274 PolarHBondContact O-N 2.99Å; R271-L274 VanDerWaalsContact O-N 3.09Å; P272-L274 PolarHBondContact O-N 3.27Å; P272-L274 VanDerWaalsContact O-N 3.11Å; L274-F276 VanDerWaalsContact C-N 3.27Å; L274-F276 PolarHBondContact O-N 3.25Å; L274-L277 HydrophobicContact CD2-CD1 4.12Å; L274-V279 HydrophobicContact CD2-CG2 4.47Å; L274-T281 HydrophobicContact CB-CG2 3.4Å; L274-T281 VanDerWaalsContact CB-CG2 3.4Å; L274-T281 HydrophobicContact CD1-CG2 3.84Å; L274-T281 HydrophobicContact CG-CG2 4.27Å
275W94.7Very high86.6Confident31 Ų3172.7 Ų72.712%0.11735%0.353CS..SBendtrans-68.5-29.7179.6-74.620.3000112.3Q169 L261 F264 Q265 F268 G269 P272Q169-W275 PolarHBondContact NE2-O 3.11Å; L261-W275 HydrophobicContact CD1-CH2 4.43Å; F264-W275 HydrophobicContact CB-CH2 3.69Å; F264-W275 HydrophobicContact CB-CZ2 4.37Å; F264-W275 HydrophobicContact CB-CZ3 4.17Å; F264-W275 HydrophobicContact CD1-CZ3 4.33Å; F264-W275 HydrophobicContact CG-CH2 4.5Å; Q265-W275 HydrophobicContact CG-CZ2 4.15Å; F268-W275 HydrophobicContact CB-CB 4.24Å; F268-W275 VanDerWaalsContact CB-CD1 3.46Å; F268-W275 HydrophobicContact CB-CD2 3.62Å; F268-W275 HydrophobicContact CB-CE3 4.35Å; F268-W275 HydrophobicContact CB-CG 3.55Å; F268-W275 HydrophobicContact CB-CZ2 4.32Å; F268-W275 HydrophobicContact CD1-CB 4.19Å; F268-W275 HydrophobicContact CD1-CG 4.36Å; F268-W275 HydrophobicContact CG-CB 4.47Å; F268-W275 HydrophobicContact CG-CD2 4.14Å; F268-W275 HydrophobicContact CG-CE3 4.44Å; F268-W275 HydrophobicContact CG-CG 4.17Å; G269-W275 PolarHBondContact O-NE1 3.04Å; P272-W275 VanDerWaalsContact CA-CD1 3.47Å; P272-W275 WeakPolarHBondContact O-CB 3.4Å; P272-W275 PolarHBondContact O-N 3.26Å
276F94.5Very high84.8Confident119 Ų11978 Ų7852%0.52238%0.375SS..SBendtrans-92.6-21-179.2-57.6-72.1000112.2Q169 Y173 L274 F307Q169-F276 PolarHBondContact NE2-O 2.85Å; Y173-F276 VanDerWaalsContact OH-C 3.31Å; Y173-F276 WeakPolarHBondContact OH-CB 3.48Å; Y173-F276 PolarHBondContact OH-O 3.08Å; L274-F276 VanDerWaalsContact C-N 3.27Å; L274-F276 PolarHBondContact O-N 3.25Å; F276-F307 HydrophobicContact CE1-CZ 4.37Å; F276-F307 HydrophobicContact CZ-CZ 4.09Å
277L95.3Very high83.3Confident71 Ų7179.4 Ų79.437%0.37238%0.384SS..SBendtrans-82.2132.9177.9-66.4176.4000112W63 K165 Q169 L274 V279W63-L277 HydrophobicContact CZ3-CD2 4.24Å; K165-L277 PolarHBondContact NZ-O 3.32Å; Q169-L277 VanDerWaalsContact NE2-C 3.3Å; Q169-L277 PolarHBondContact NE2-O 3.28Å; L274-L277 HydrophobicContact CD2-CD1 4.12Å; L277-V279 HydrophobicContact CB-CG1 4.45Å; L277-V279 HydrophobicContact CB-CG2 3.97Å; L277-V279 PolarHBondContact O-N 3.45Å
278P95.3Very high82Confident1 Ų180.9 Ų80.91%0.00639%0.39CS..SBendtrans-73.156.3175.1-18.434.8000113.5W63 S64 Q67 F166W63-P278 HydrophobicContact CB-CG 4.26Å; W63-P278 HydrophobicContact CD2-CB 3.98Å; W63-P278 HydrophobicContact CD2-CG 3.89Å; W63-P278 HydrophobicContact CE3-CG 4.21Å; W63-P278 HydrophobicContact CG-CB 3.9Å; W63-P278 HydrophobicContact CG-CG 3.92Å; W63-P278 PolarHBondContact NE1-O 3.42Å; S64-P278 WeakPolarHBondContact OG-CG 3.39Å; Q67-P278 HydrophobicContact CG-CB 4.11Å; F166-P278 HydrophobicContact CD1-CB 4.24Å; F166-P278 VanDerWaalsContact CE1-C 3.48Å
279V94.8Very high80.7Confident47 Ų4781.4 Ų81.429%0.28539%0.393SS..SBendtrans-119.5151.4177.1-61.30000110.5W63 K165 L274 L277 T281W63-V279 HydrophobicContact CH2-CG1 4.01Å; W63-V279 HydrophobicContact CZ2-CG1 3.65Å; K165-V279 PolarHBondContact NZ-O 2.88Å; L274-V279 HydrophobicContact CD2-CG2 4.47Å; L277-V279 HydrophobicContact CB-CG1 4.45Å; L277-V279 HydrophobicContact CB-CG2 3.97Å; L277-V279 PolarHBondContact O-N 3.45Å; V279-T281 HydrophobicContact CG2-CG2 4.19Å; V279-T281 PolarHBondContact O-N 2.49Å
280Y90.7Very high78.8Confident116 Ų11684 Ų8446%0.45542%0.415SS..  trans-65.5125.5174.3-68.8-83.2000110.3S71 G162 F166S71-Y280 PolarHBondContact OG-OH 3.04Å; G162-Y280 WeakPolarHBondContact O-CE1 3.46Å; F166-Y280 HydrophobicContact CE2-CD1 4.03Å; F166-Y280 AromaticContact CE2-CE1 3.54Å; F166-Y280 HydrophobicContact CE2-CE1 3.54Å; F166-Y280 HydrophobicContact CE2-CE2 4.05Å; F166-Y280 HydrophobicContact CE2-CG 4.49Å; F166-Y280 AromaticContact CE2-CZ 3.55Å; F166-Y280 AromaticContact CZ-CD1 3.82Å; F166-Y280 HydrophobicContact CZ-CD1 3.82Å; F166-Y280 HydrophobicContact CZ-CD2 4.01Å; F166-Y280 AromaticContact CZ-CE1 3.81Å; F166-Y280 HydrophobicContact CZ-CE1 3.81Å; F166-Y280 AromaticContact CZ-CE2 3.97Å; F166-Y280 HydrophobicContact CZ-CE2 3.97Å; F166-Y280 AromaticContact CZ-CG 3.93Å; F166-Y280 HydrophobicContact CZ-CG 3.93Å; F166-Y280 AromaticContact CZ-CZ 3.88Å
281T87.5Confident76.7Confident32 Ų3279.3 Ų79.320%0.19640%0.401CS..  trans-124.6-2.3179.947.80000113.8K165 F268 L274 V279K165-T281 PolarHBondContact NZ-OG1 3.23Å; F268-T281 VanDerWaalsContact C-OG1 3.27Å; F268-T281 VanDerWaalsContact O-CB 3.28Å; F268-T281 WeakPolarHBondContact O-CB 3.28Å; F268-T281 PolarHBondContact O-OG1 3.36Å; L274-T281 HydrophobicContact CB-CG2 3.4Å; L274-T281 VanDerWaalsContact CB-CG2 3.4Å; L274-T281 HydrophobicContact CD1-CG2 3.84Å; L274-T281 HydrophobicContact CG-CG2 4.27Å; V279-T281 HydrophobicContact CG2-CG2 4.19Å; V279-T281 PolarHBondContact O-N 2.49Å
282R71.9Confident74.1Confident51 Ų5175.1 Ų75.119%0.19240%0.398CS..SBendtrans-94.8150.5177.7-61.5-175.8-146.317411.8110.8F161 E266 V267F161-R282 VanDerWaalsContact CD2-NH1 3.29Å; F161-R282 HydrophobicContact CZ-CB 4.47Å; F161-R282 VanDerWaalsContact O-CZ 3.29Å; F161-R282 PolarHBondContact O-NH1 3.42Å; E266-R282 WeakPolarHBondContact O-CD 3.43Å; E266-R282 PolarHBondContact O-NE 3.43Å; V267-R282 VanDerWaalsContact O-CZ 3.3Å; V267-R282 PolarHBondContact O-NE 3.2Å; V267-R282 PolarHBondContact O-NH2 2.97Å; V267-R282 VanDerWaalsContact O-NH2 3.15Å
283L58.4Low71.8Confident133 Ų13374.5 Ų74.570%0.69639%0.393SS*.PPolyproline II helixtrans-68165167.8-60.5169.5000110.3D287L283-D287 HydrophobicContact CB-CB 3.84Å; L283-D287 WeakPolarHBondContact CB-OD2 3.43Å
284N59.3Low68.9Low117 Ų11775.1 Ų75.163%0.62639%0.391SS*.PPolyproline II helixtrans-64.8165.9-166.5-74.9-44.8000112.3K286 D287 F288N284-K286 PolarHBondContact O-N 3.46Å; N284-D287 PolarHBondContact N-OD2 2.95Å; N284-D287 WeakPolarHBondContact O-CB 3.29Å; N284-D287 PolarHBondContact O-N 2.82Å; N284-F288 PolarHBondContact O-N 3.23Å
285A56.6Low65.8Low25 Ų2577 Ų7721%0.20741%0.409CS..Hα-helixtrans-55-24.1179.400000114.1L146 D287 F288L146-A285 HydrophobicContact CD1-CB 3.89Å; A285-D287 VanDerWaalsContact C-N 3.33Å; A285-F288 PolarHBondContact O-N 3.31Å
286K55.1Low63Low172 Ų17279.6 Ų79.675%0.74843%0.428SS*.Hα-helixtrans-61.3-42172.9-68.2-173.6176.7-1760111.4N284 L289 A290N284-K286 PolarHBondContact O-N 3.46Å; K286-L289 PolarHBondContact O-N 3.21Å; K286-A290 VanDerWaalsContact O-CB 3.28Å; K286-A290 WeakPolarHBondContact O-CB 3.34Å; K286-A290 PolarHBondContact O-N 2.98Å; K286-A290 VanDerWaalsContact O-N 3.12Å
287D59Low59.9Low71 Ų7181.7 Ų81.738%0.3844%0.444SS..Hα-helixtrans-70.6-33.4-179.1-53.5-61.9000111.7L283 N284 A285 L289 A290 V291L283-D287 HydrophobicContact CB-CB 3.84Å; L283-D287 WeakPolarHBondContact CB-OD2 3.43Å; N284-D287 PolarHBondContact N-OD2 2.95Å; N284-D287 WeakPolarHBondContact O-CB 3.29Å; N284-D287 PolarHBondContact O-N 2.82Å; A285-D287 VanDerWaalsContact C-N 3.33Å; D287-L289 VanDerWaalsContact C-N 3.28Å; D287-L289 PolarHBondContact O-N 2.88Å; D287-A290 PolarHBondContact O-N 3.06Å; D287-V291 WeakPolarHBondContact O-CG2 3.49Å; D287-V291 PolarHBondContact O-N 3.36Å
288F65.9Low56.8Low32 Ų3286.7 Ų86.714%0.1447%0.467CS..Hα-helixtrans-60.5-36.5176179.3-105.8000113K147 F161 N284 A285K147-F288 HydrophobicContact CB-CE1 4.22Å; K147-F288 HydrophobicContact CB-CE2 4.34Å; K147-F288 HydrophobicContact CB-CZ 3.69Å; K147-F288 HydrophobicContact CD-CE2 3.82Å; K147-F288 HydrophobicContact CD-CZ 3.89Å; K147-F288 HydrophobicContact CG-CZ 4.11Å; F161-F288 HydrophobicContact CD2-CB 4.43Å; F161-F288 HydrophobicContact CD2-CD1 4.42Å; F161-F288 AromaticContact CD2-CD2 3.5Å; F161-F288 HydrophobicContact CD2-CD2 3.5Å; F161-F288 AromaticContact CD2-CE2 3.8Å; F161-F288 HydrophobicContact CD2-CE2 3.8Å; F161-F288 AromaticContact CD2-CG 3.85Å; F161-F288 HydrophobicContact CD2-CG 3.85Å; F161-F288 HydrophobicContact CD2-CZ 4.38Å; F161-F288 HydrophobicContact CE1-CB 4.24Å; F161-F288 HydrophobicContact CE2-CB 3.85Å; F161-F288 AromaticContact CE2-CD2 3.24Å; F161-F288 HydrophobicContact CE2-CD2 3.24Å; F161-F288 AromaticContact CE2-CE2 3.95Å; F161-F288 HydrophobicContact CE2-CE2 3.95Å; F161-F288 AromaticContact CE2-CG 3.65Å; F161-F288 HydrophobicContact CE2-CG 3.65Å; F161-F288 HydrophobicContact CG-CD2 4.48Å; F161-F288 HydrophobicContact CG-CG 4.44Å; F161-F288 HydrophobicContact CZ-CB 3.74Å; F161-F288 HydrophobicContact CZ-CD2 4.05Å; F161-F288 HydrophobicContact CZ-CG 4.06Å; N284-F288 PolarHBondContact O-N 3.23Å; A285-F288 PolarHBondContact O-N 3.31Å
289L66.6Low53.8Low24 Ų2492.3 Ų92.313%0.12650%0.504CS..Hα-helixtrans-88.7-17179.1-62175.7000112.9P77 F80 P111 P132 L146 K286 D287P77-L289 HydrophobicContact CG-CD1 3.51Å; F80-L289 HydrophobicContact CD2-CD1 4.47Å; F80-L289 HydrophobicContact CE2-CD1 3.59Å; F80-L289 HydrophobicContact CZ-CD1 4.02Å; P111-L289 WeakPolarHBondContact CG-O 3.48Å; P132-L289 HydrophobicContact CB-CD2 3.66Å; P132-L289 HydrophobicContact CG-CD2 4.48Å; L146-L289 HydrophobicContact CD2-CD2 4.44Å; K286-L289 PolarHBondContact O-N 3.21Å; D287-L289 VanDerWaalsContact C-N 3.28Å; D287-L289 PolarHBondContact O-N 2.88Å
290A52.2Low51Low62 Ų6297.5 Ų97.551%0.51253%0.53SS..Hα-helixtrans-90.7-7.2-176.700000114.2K286 D287 P292K286-A290 VanDerWaalsContact O-CB 3.28Å; K286-A290 WeakPolarHBondContact O-CB 3.34Å; K286-A290 PolarHBondContact O-N 2.98Å; K286-A290 VanDerWaalsContact O-N 3.12Å; D287-A290 PolarHBondContact O-N 3.06Å; A290-P292 WeakPolarHBondContact O-CD 3.48Å; A290-P292 WeakPolarHBondContact O-CG 3.04Å
291V46.9Very low48.5Very low81 Ų81100.2 Ų100.249%0.49154%0.544SS..  trans-63.5106.5-176.6-171.20000110.8D287D287-V291 WeakPolarHBondContact O-CG2 3.49Å; D287-V291 PolarHBondContact O-N 3.36Å
292P36.7Very low46Very low99 Ų99105.8 Ų105.864%0.64357%0.573SS**  trans-77.9132.8173.5-3.424.7000107.8A290 E294A290-P292 WeakPolarHBondContact O-CD 3.48Å; A290-P292 WeakPolarHBondContact O-CG 3.04Å; P292-E294 VanDerWaalsContact C-N 3.3Å; P292-E294 PolarHBondContact O-N 3.05Å
293V40.4Very low44.5Very low71 Ų71112.1 Ų112.143%0.4361%0.607SS.*  trans-89.774.1174.7-172.90000108.5Y258 V296Y258-V293 HydrophobicContact CE1-CG1 4.19Å; Y258-V293 HydrophobicContact CE1-CG2 3.81Å; V293-V296 HydrophobicContact CG1-CG2 4.27Å
294E30.9Very low43.7Very low169 Ų169111.2 Ų111.279%0.7961%0.607SS**  trans-122.8128.6162.3-89.2165.8171.700106.9P292P292-E294 VanDerWaalsContact C-N 3.3Å; P292-E294 PolarHBondContact O-N 3.05Å
295S28.8Very low42.6Very low94 Ų94108.4 Ų108.466%0.65761%0.605SS**  trans92.649.1-168.179.40000118.2R262R262-S295 PolarHBondContact NH1-O 3.33Å; R262-S295 VanDerWaalsContact NH1-O 3.1Å
296V35.1Very low41.9Very low85 Ų85114.4 Ų114.452%0.51563%0.633SS.*  trans-112.360.3150.7-168.70000108.8Y258 V293Y258-V296 HydrophobicContact CD1-CG2 4.11Å; V293-V296 HydrophobicContact CG1-CG2 4.27Å
297L30.3Very low41.4Very low162 Ų162111.9 Ų111.985%0.84862%0.622SS**  trans-113.1131154.8-79.1167.4000106.6
298M29.8Very low40.9Very low177 Ų177109.6 Ų109.687%0.87261%0.612SS**  trans90.7106.7174.9-49.6-134170.500117.3N300M298-N300 PolarHBondContact O-N 2.94Å
299P33Very low40Very low119 Ų119111.1 Ų111.177%0.77363%0.63SS**  trans-78.6112.4164.530.6-26.1000109.2K301P299-K301 PolarHBondContact O-N 3.12Å
300N37.1Very low39.2Very low155 Ų155113.6 Ų113.683%0.82965%0.646SS**  trans-79.698.7163.8-161.7-19.9000108.3M298 N302M298-N300 PolarHBondContact O-N 2.94Å; N300-N302 PolarHBondContact O-N 3.08Å
301K36.9Very low39Very low174 Ų174114 Ų11476%0.75764%0.635SS**  trans-68.2109.7163.4-67175.8178.2178.70105.8P299P299-K301 PolarHBondContact O-N 3.12Å
302N36.2Very low39.2Very low149 Ų149116.5 Ų116.580%0.79764%0.637SS**  trans156.781.3154.2-76.1-14.4000110.1N300N300-N302 PolarHBondContact O-N 3.08Å
303M38.9Very low40.1Very low183 Ų183119.7 Ų119.790%0.90164%0.636SS**  trans-178.891.7148.7-108.4-170.467.200108.7
304V41.4Very low40.7Very low115 Ų115116.9 Ų116.970%0.69762%0.619SS**  trans-125.289.8-178.8179.80000105.6S308V304-S308 WeakPolarHBondContact CG1-OG 3.28Å
305G37.4Very low41.8Very low58 Ų58110.9 Ų110.960%0.59859%0.592SS**  trans-131.8130.8-174.900000111.9F307G305-F307 VanDerWaalsContact C-N 3.27Å; G305-F307 PolarHBondContact O-N 3.43Å
306L41Very low42.9Very low151 Ų151111 Ų11179%0.79159%0.585SS**SBendtrans57-51.7-178.5-94.2122.6000118.3S308 A309 V310L306-S308 VanDerWaalsContact C-N 3.27Å; L306-S308 PolarHBondContact O-N 2.88Å; L306-A309 PolarHBondContact O-N 3.34Å; L306-V310 PolarHBondContact O-N 2.86Å
307F44.3Very low43.9Very low119 Ų119112.2 Ų112.252%0.52259%0.585SS.*Hα-helixtrans-67.9-29.3-179.3-82.5-80.8000113.1F276 G305 Y311F276-F307 HydrophobicContact CE1-CZ 4.37Å; F276-F307 HydrophobicContact CZ-CZ 4.09Å; G305-F307 VanDerWaalsContact C-N 3.27Å; G305-F307 PolarHBondContact O-N 3.43Å; F307-Y311 WeakPolarHBondContact O-CB 3.47Å; F307-Y311 PolarHBondContact O-N 2.71Å
308S50.4Low44.7Very low22 Ų22109.3 Ų109.315%0.15457%0.569CS.*Hα-helixtrans-77.7-28.1176.8-154.80000113.6V304 L306 Y312V304-S308 WeakPolarHBondContact CG1-OG 3.28Å; L306-S308 VanDerWaalsContact C-N 3.27Å; L306-S308 PolarHBondContact O-N 2.88Å; S308-Y312 WeakPolarHBondContact O-CB 3.28Å; S308-Y312 WeakPolarHBondContact O-CD2 3.03Å; S308-Y312 PolarHBondContact O-N 3.17Å; S308-Y312 WeakPolarHBondContact OG-CD2 3.42Å; S308-Y312 WeakPolarHBondContact OG-CE2 3.41Å
309A46.1Very low45.5Very low65 Ų65107.6 Ų107.654%0.53756%0.557SS.*Hα-helixtrans-71.4-43.517900000110.2L306 W313L306-A309 PolarHBondContact O-N 3.34Å; A309-W313 WeakPolarHBondContact O-CB 3.49Å; A309-W313 PolarHBondContact O-N 3.12Å
310V50.7Low46.1Very low75 Ų75106.7 Ų106.746%0.45555%0.553SS.*Hα-helixtrans-68.1-40172.5-178.20000110.8F226 L306 V314F226-V310 HydrophobicContact CE1-CG1 4.38Å; L306-V310 PolarHBondContact O-N 2.86Å; V310-V314 HydrophobicContact CG1-CG2 4.11Å; V310-V314 VanDerWaalsContact O-CB 3.24Å; V310-V314 WeakPolarHBondContact O-CB 3.48Å; V310-V314 WeakPolarHBondContact O-CG2 3.15Å; V310-V314 PolarHBondContact O-N 3.24Å
311Y47.8Very low46.3Very low72 Ų72107 Ų10728%0.28255%0.554SS.*Hα-helixtrans-61.5-51.2176.5172.8-102.4000112.9F307 I315F307-Y311 WeakPolarHBondContact O-CB 3.47Å; F307-Y311 PolarHBondContact O-N 2.71Å; Y311-I315 HydrophobicContact CD2-CG1 3.96Å; Y311-I315 HydrophobicContact CE2-CD1 4.17Å; Y311-I315 HydrophobicContact CE2-CG1 3.73Å; Y311-I315 HydrophobicContact CG-CG1 4.49Å; Y311-I315 VanDerWaalsContact O-CB 3.26Å; Y311-I315 WeakPolarHBondContact O-CB 3.32Å; Y311-I315 WeakPolarHBondContact O-CG1 3.49Å; Y311-I315 PolarHBondContact O-N 2.93Å
312Y51.1Low46.3Very low133 Ų133100.9 Ų100.952%0.52254%0.541SS..Hα-helixtrans-69.5-42.6179.5-72.5-57000111.6S308 V314 I315 D316S308-Y312 WeakPolarHBondContact O-CB 3.28Å; S308-Y312 WeakPolarHBondContact O-CD2 3.03Å; S308-Y312 PolarHBondContact O-N 3.17Å; S308-Y312 WeakPolarHBondContact OG-CD2 3.42Å; S308-Y312 WeakPolarHBondContact OG-CE2 3.41Å; Y312-V314 VanDerWaalsContact C-N 3.33Å; Y312-V314 PolarHBondContact O-N 2.98Å; Y312-I315 PolarHBondContact O-N 3.14Å; Y312-D316 WeakPolarHBondContact O-CB 3.11Å; Y312-D316 VanDerWaalsContact O-CG 3.27Å; Y312-D316 PolarHBondContact O-N 2.92Å
313W54.1Low46.4Very low166 Ų166101.2 Ų101.263%0.62954%0.542SS*.Hα-helixtrans-60.7-42.8178.3-172.478.8000112.1A309 H317A309-W313 WeakPolarHBondContact O-CB 3.49Å; A309-W313 PolarHBondContact O-N 3.12Å; W313-H317 AromaticContact NE1-NE2 3.86Å; W313-H317 VanDerWaalsContact O-CB 3.27Å; W313-H317 WeakPolarHBondContact O-CB 3.35Å; W313-H317 PolarHBondContact O-N 3.2Å; W313-H317 VanDerWaalsContact O-N 3.11Å; W313-H317 PolarHBondContact O-ND1 3.39Å
314V53Low46Very low12 Ų1296.8 Ų96.87%0.07354%0.544CS..Hα-helixtrans-76.3-41.1-179.61760000112.6F226 V310 Y312 H317 I318F226-V314 HydrophobicContact CD1-CG1 4.05Å; F226-V314 HydrophobicContact CD2-CG1 3.69Å; F226-V314 HydrophobicContact CE1-CB 4.26Å; F226-V314 HydrophobicContact CE1-CG1 3.98Å; F226-V314 HydrophobicContact CE1-CG2 4.09Å; F226-V314 HydrophobicContact CE2-CG1 3.63Å; F226-V314 HydrophobicContact CE2-CG2 4.4Å; F226-V314 HydrophobicContact CG-CG1 3.94Å; F226-V314 HydrophobicContact CZ-CB 4.29Å; F226-V314 HydrophobicContact CZ-CG1 3.79Å; F226-V314 HydrophobicContact CZ-CG2 3.84Å; V310-V314 HydrophobicContact CG1-CG2 4.11Å; V310-V314 VanDerWaalsContact O-CB 3.24Å; V310-V314 WeakPolarHBondContact O-CB 3.48Å; V310-V314 WeakPolarHBondContact O-CG2 3.15Å; V310-V314 PolarHBondContact O-N 3.24Å; Y312-V314 VanDerWaalsContact C-N 3.33Å; Y312-V314 PolarHBondContact O-N 2.98Å; V314-H317 PolarHBondContact O-N 2.99Å; V314-I318 HydrophobicContact CG1-CD1 3.64Å; V314-I318 HydrophobicContact CG1-CG1 4.17Å; V314-I318 VanDerWaalsContact O-CB 3.29Å; V314-I318 WeakPolarHBondContact O-CB 3.36Å; V314-I318 WeakPolarHBondContact O-CG1 3.4Å; V314-I318 PolarHBondContact O-N 3.16Å
315I55.5Low45.8Very low42 Ų4296.5 Ų96.522%0.21554%0.542CS..Hα-helixtrans-65.4-44.7177.7-68.4-75.5000110.3Y311 Y312 H317 F319Y311-I315 HydrophobicContact CD2-CG1 3.96Å; Y311-I315 HydrophobicContact CE2-CD1 4.17Å; Y311-I315 HydrophobicContact CE2-CG1 3.73Å; Y311-I315 HydrophobicContact CG-CG1 4.49Å; Y311-I315 VanDerWaalsContact O-CB 3.26Å; Y311-I315 WeakPolarHBondContact O-CB 3.32Å; Y311-I315 WeakPolarHBondContact O-CG1 3.49Å; Y311-I315 PolarHBondContact O-N 2.93Å; Y312-I315 PolarHBondContact O-N 3.14Å; I315-H317 VanDerWaalsContact C-N 3.33Å; I315-H317 PolarHBondContact O-N 3.37Å; I315-F319 HydrophobicContact CD1-CD2 3.82Å; I315-F319 HydrophobicContact CD1-CE2 3.8Å; I315-F319 HydrophobicContact CG2-CD2 4.43Å; I315-F319 WeakPolarHBondContact O-CB 3.43Å; I315-F319 PolarHBondContact O-N 3.47Å
316D51.4Low45.6Very low96 Ų96100 Ų10051%0.51355%0.552SS.*Hα-helixtrans-69.6-28.4179.9-68.7-15.9000112.3Y312 S320Y312-D316 WeakPolarHBondContact O-CB 3.11Å; Y312-D316 VanDerWaalsContact O-CG 3.27Å; Y312-D316 PolarHBondContact O-N 2.92Å; D316-S320 WeakPolarHBondContact O-CB 3.16Å
317H55.6Low45.2Very low112 Ų112102 Ų10252%0.51956%0.555SS.*Hα-helixtrans-92.1-25.9179.5-76.745.3000114.6W313 V314 I315W313-H317 AromaticContact NE1-NE2 3.86Å; W313-H317 VanDerWaalsContact O-CB 3.27Å; W313-H317 WeakPolarHBondContact O-CB 3.35Å; W313-H317 PolarHBondContact O-N 3.2Å; W313-H317 VanDerWaalsContact O-N 3.11Å; W313-H317 PolarHBondContact O-ND1 3.39Å; V314-H317 PolarHBondContact O-N 2.99Å; I315-H317 VanDerWaalsContact C-N 3.33Å; I315-H317 PolarHBondContact O-N 3.37Å
318I47.2Very low44.5Very low100 Ų100103.7 Ų103.751%0.51356%0.564SS.*Hα-helixtrans-95.7-32.4-179.4-62.8-172.9000112.2V314V314-I318 HydrophobicContact CG1-CD1 3.64Å; V314-I318 HydrophobicContact CG1-CG1 4.17Å; V314-I318 VanDerWaalsContact O-CB 3.29Å; V314-I318 WeakPolarHBondContact O-CB 3.36Å; V314-I318 WeakPolarHBondContact O-CG1 3.4Å; V314-I318 PolarHBondContact O-N 3.16Å
319F46.4Very low43.8Very low142 Ų142108.7 Ų108.762%0.62360%0.596SS**SBendtrans-99-7.6-179-69.9-79.4000114.7I315 L321I315-F319 HydrophobicContact CD1-CD2 3.82Å; I315-F319 HydrophobicContact CD1-CE2 3.8Å; I315-F319 HydrophobicContact CG2-CD2 4.43Å; I315-F319 WeakPolarHBondContact O-CB 3.43Å; I315-F319 PolarHBondContact O-N 3.47Å; F319-L321 VanDerWaalsContact C-N 3.28Å; F319-L321 PolarHBondContact O-N 2.97Å
320S46.4Very low43.2Very low99 Ų99110.9 Ų110.969%0.69260%0.603SS**THydrogen-bonded Turntrans-84.44.1176.2-161.40000114D316D316-S320 WeakPolarHBondContact O-CB 3.16Å
321L40.8Very low42.5Very low162 Ų162112.2 Ų112.285%0.84862%0.622SS**THydrogen-bonded Turntrans-105.410.7176.5-73170.9000113.9F319F319-L321 VanDerWaalsContact C-N 3.28Å; F319-L321 PolarHBondContact O-N 2.97Å
322G35.7Very low41.7Very low46 Ų46116.4 Ų116.447%0.47464%0.644SS.*SBendtrans-143.5116.9175.100000110.7
323D38.3Very low40.8Very low156 Ų156118.7 Ų118.783%0.83466%0.659SS**  trans85.597170.2-50.4-26000116.4V325D323-V325 PolarHBondContact O-N 3.37Å
324G32.4Very low39.7Very low90 Ų90118.2 Ų118.293%0.92867%0.674SS**  trans-66.867.9167.700000113.2
325V36.4Very low38.8Very low108 Ų108120.4 Ų120.466%0.65570%0.699SS**  trans-111.992165.2-174.30000108.2D323 F327D323-V325 PolarHBondContact O-N 3.37Å; V325-F327 HydrophobicContact CG1-CD2 4.15Å; V325-F327 PolarHBondContact O-N 3.38Å
326T32Very low37.7Very low133 Ų133124.1 Ų124.182%0.81672%0.723SS**  trans-61.8110.1163.4480000108.8
327F33.5Very low36.8Very low193 Ų193129.5 Ų129.585%0.84674%0.738SS**  trans-90.5101.3161.5-115.7-89.7000107.6V325V325-F327 HydrophobicContact CG1-CD2 4.15Å; V325-F327 PolarHBondContact O-N 3.38Å
328E30.3Very low35.6Very low153 Ų153132.6 Ų132.672%0.71576%0.757SS**  trans-60131.6164.2-85.9-178.7148.200109.3T330E328-T330 PolarHBondContact O-N 2.73Å; E328-T330 VanDerWaalsContact O-N 3.09Å
329P35.1Very low35.1Very low127 Ų127132.1 Ų132.183%0.82576%0.763SS**  trans-78.291166.530.7-27.8000108.1A331P329-A331 PolarHBondContact O-N 3.14Å; P329-A331 VanDerWaalsContact O-N 3.1Å
330T34Very low34.6Very low112 Ų112130.8 Ų130.869%0.68777%0.771SS**  trans-69107.9166.651.30000108.8E328 E332E328-T330 PolarHBondContact O-N 2.73Å; E328-T330 VanDerWaalsContact O-N 3.09Å; T330-E332 PolarHBondContact O-N 3.45Å; T330-E332 VanDerWaalsContact O-N 3.1Å
331A34.4Very low34.5Very low102 Ų102138.9 Ų138.984%0.84380%0.798SS**  trans-69.991.1166.600000109.3P329P329-A331 PolarHBondContact O-N 3.14Å; P329-A331 VanDerWaalsContact O-N 3.1Å
332E31.3Very low34.2Very low161 Ų161137.7 Ų137.775%0.75280%0.795SS**  trans-136.3141.7163.9-79.7-171.4159.400109.5T330T330-E332 PolarHBondContact O-N 3.45Å; T330-E332 VanDerWaalsContact O-N 3.1Å
333H32.4Very low34.1Very low181 Ų181142.5 Ų142.584%0.83881%0.812SS**  trans88.847-177.3-51.722.3000115
334V32.4Very low33.9Very low156 Ų156141.8 Ų141.895%0.94581%0.811SS**  trans-84.9115.3131.9176.20000106.5
335G32.7Very low34Very low58 Ų58144.8 Ų144.860%0.59880%0.804SS**  trans171103.217400000114.2
336V32.5Very low33.8Very low119 Ų119147.1 Ų147.172%0.72181%0.813SS**  trans60.5111.5139.3-160.70000115.1
337Y33.8Very low33.9Very low210 Ų210148.1 Ų148.182%0.82481%0.813SS**  -154.1119.378.2-91.6-90.9000111.8
338L29.8Very low34Very low177 Ų177144.9 Ų144.993%0.92781%0.811SS**  trans-97.9124.1147.9-79.1165.9000106.6
339S35.6Very low34.2Very low90 Ų90144.2 Ų144.263%0.62982%0.818SS**  trans-177.1124.8149.1560000110.8
340S37Very low34.2Very low113 Ų113145.7 Ų145.779%0.7982%0.818SS**  trans45.2120.2147.559.30000118.1
341E44.1Very low34.2Very low269 Ų269148.7 Ų148.7100%1.25783%0.83SS**  cis-144.9039.8-78.6174.5153.800112

Retrieved 341 of 341 residues in 274.4 ms (Link to these results)

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