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Tetraspanning orphan receptor

Cell surface receptor that binds to human complement C2a protein. This results in inhibition of the classical and lectin pathways of complement activation, probably due to interference with binding of C2a to C4b and interference with cleavage by C1 or MASP2 such that C3 convertase cannot be formed. This infers resistance to complement-mediated cell lysis, allowing parasite survival and infection (By similarity).

AlphaFold DB , UniProt , Accession C4QM85, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene TOR, Length 419 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
1M41.7Very low47.1Very low237 Ų237144.5 Ų144.5100%1.16781%0.814SS**  0124.30-62.8-166.5174.300107.5
2P49.5Very low47.7Very low136 Ų136138.3 Ų138.388%0.88379%0.794SS**PPolyproline II helixtrans-82.7137.8-13730-33.2000114.3
3R44.1Very low48Very low243 Ų243142.8 Ų142.892%0.91779%0.79SS**PPolyproline II helixtrans-71.3146.3174.6-77.7175.9165.3114.4-3.5111.3
4A49.2Very low48.1Very low93 Ų93142.8 Ų142.877%0.76978%0.781SS**PPolyproline II helixtrans-57142.4171.600000112.9A6A4-A6 PolarHBondContact O-N 2.73Å
5P54.7Low48.6Very low125 Ų125144.1 Ų144.181%0.81278%0.779SS**  trans-84104.2167.431.5-28000109.9L7P5-L7 PolarHBondContact O-N 3.03Å
6A44.4Very low49Very low96 Ų96138.4 Ų138.479%0.79375%0.745SS**  trans-76.598.515500000107.8A4A4-A6 PolarHBondContact O-N 2.73Å
7L44.9Very low49.1Very low143 Ų143135.2 Ų135.275%0.74973%0.732SS**  trans-145117166.9-84.5-172.4000112P5P5-L7 PolarHBondContact O-N 3.03Å
8L45.9Very low49.4Very low142 Ų142129.6 Ų129.674%0.74370%0.704SS**  trans65.458.5143-61.8166.2000117.8N10L8-N10 PolarHBondContact O-N 2.94Å
9T49.7Very low49.5Very low143 Ų143125.8 Ų125.888%0.87769%0.687SS**  trans-83.559.8151.965.60000109.7D11T9-D11 PolarHBondContact O-N 2.81Å
10N50.3Low49.3Very low152 Ų152127.1 Ų127.181%0.81369%0.692SS**  trans-83.194.5163.4-120.2-46.4000106.6L8 A12L8-N10 PolarHBondContact O-N 2.94Å; N10-A12 PolarHBondContact O-N 3.01Å
11D44.1Very low49.4Very low80 Ų80126.9 Ų126.943%0.42870%0.699SS.*  trans-46.1110-167.2-149.7-19.4000112.9T9 R13 H14T9-D11 PolarHBondContact O-N 2.81Å; D11-R13 PolarHBondContact O-N 3.05Å; D11-R13 VanDerWaalsContact OD1-CB 3.27Å; D11-R13 WeakPolarHBondContact OD1-CB 3.38Å; D11-R13 WeakPolarHBondContact OD1-CG 3.06Å; D11-R13 PolarHBondContact OD1-N 3.48Å; D11-R13 IonicContact OD1-NE 2.84Å; D11-R13 PolarHBondContact OD1-NE 2.67Å; D11-R13 IonicContact OD2-NE 3.3Å; D11-H14 PolarHBondContact O-N 2.92Å
12A54.2Low50.1Low70 Ų70118.9 Ų118.958%0.57966%0.661SS**G310 helixtrans-56.3-9.5171.100000112.9N10 H14N10-A12 PolarHBondContact O-N 3.01Å; A12-H14 VanDerWaalsContact C-N 3.29Å; A12-H14 PolarHBondContact O-N 3.06Å
13R50.9Low51.1Low196 Ų196115.2 Ų115.274%0.7463%0.632SS**G310 helixtrans-71.2-17174-64.7-160.2-89.2-152.90114.5D11D11-R13 PolarHBondContact O-N 3.05Å; D11-R13 VanDerWaalsContact OD1-CB 3.27Å; D11-R13 WeakPolarHBondContact OD1-CB 3.38Å; D11-R13 WeakPolarHBondContact OD1-CG 3.06Å; D11-R13 PolarHBondContact OD1-N 3.48Å; D11-R13 IonicContact OD1-NE 2.84Å; D11-R13 PolarHBondContact OD1-NE 2.67Å; D11-R13 IonicContact OD2-NE 3.3Å
14H49.8Very low52.3Low143 Ų143104 Ų10466%0.66259%0.59SS**G310 helixtrans-77.3-16.5175.9-97.9-73.4000114.4D11 A12 F16 T17D11-H14 PolarHBondContact O-N 2.92Å; A12-H14 VanDerWaalsContact C-N 3.29Å; A12-H14 PolarHBondContact O-N 3.06Å; H14-F16 PolarHBondContact O-N 2.76Å; H14-F16 VanDerWaalsContact O-N 3.17Å; H14-T17 PolarHBondContact O-OG1 3.16Å; H14-T17 VanDerWaalsContact O-OG1 3.07Å
15Q55.4Low53.5Low162 Ų162101.8 Ų101.876%0.75756%0.562SS**G310 helixtrans-70.9-8.2-177.7-76.5-173.9-6.800114.8
16F55Low54.7Low53 Ų5398.6 Ų98.623%0.23254%0.54CS..G310 helixtrans-11825.7-174-54.8-66.2000114.5H14 Y267 L270H14-F16 PolarHBondContact O-N 2.76Å; H14-F16 VanDerWaalsContact O-N 3.17Å; F16-Y267 HydrophobicContact CB-CD2 3.56Å; F16-Y267 HydrophobicContact CB-CE2 3.62Å; F16-Y267 HydrophobicContact CB-CG 4.42Å; F16-Y267 AromaticContact CD1-CD2 3.24Å; F16-Y267 HydrophobicContact CD1-CD2 3.24Å; F16-Y267 AromaticContact CD1-CE2 4Å; F16-Y267 HydrophobicContact CD1-CE2 4Å; F16-Y267 HydrophobicContact CD1-CG 4.1Å; F16-Y267 AromaticContact CD2-CD2 3.57Å; F16-Y267 HydrophobicContact CD2-CD2 3.57Å; F16-Y267 AromaticContact CD2-CE2 3.42Å; F16-Y267 HydrophobicContact CD2-CE2 3.42Å; F16-Y267 VanDerWaalsContact CD2-CE2 3.42Å; F16-Y267 AromaticContact CE1-CD2 3.66Å; F16-Y267 HydrophobicContact CE1-CD2 3.66Å; F16-Y267 HydrophobicContact CE1-CE2 4.46Å; F16-Y267 AromaticContact CE2-CD2 3.96Å; F16-Y267 HydrophobicContact CE2-CD2 3.96Å; F16-Y267 AromaticContact CE2-CE2 3.97Å; F16-Y267 HydrophobicContact CE2-CE2 3.97Å; F16-Y267 AromaticContact CG-CD2 3.15Å; F16-Y267 HydrophobicContact CG-CD2 3.15Å; F16-Y267 AromaticContact CG-CE2 3.4Å; F16-Y267 HydrophobicContact CG-CE2 3.4Å; F16-Y267 HydrophobicContact CG-CG 4.25Å; F16-Y267 AromaticContact CZ-CD2 3.99Å; F16-Y267 HydrophobicContact CZ-CD2 3.99Å; F16-Y267 HydrophobicContact CZ-CE2 4.44Å; F16-L270 HydrophobicContact CE1-CD1 3.56Å; F16-L270 HydrophobicContact CZ-CB 4.33Å; F16-L270 HydrophobicContact CZ-CD1 3.71Å
17T50.7Low56.2Low85 Ų8595 Ų9552%0.52151%0.512SS..EExtended strand (participates in β ladder)trans-102.2119.3175.950.80000109.7H14H14-T17 PolarHBondContact O-OG1 3.16Å; H14-T17 VanDerWaalsContact O-OG1 3.07Å
18C55.3Low57.7Low34 Ų3488.8 Ų88.823%0.2348%0.48CS..EExtended strand (participates in β ladder)trans-104.2159173-164.60000109.8L20 C21 V24 M260C18-L20 PolarHBondContact O-N 3.33Å; C18-C21 PolarHBondContact O-N 2.79Å; C18-V24 HydrophobicContact CB-CG1 3.82Å; C18-M260 HydrophobicContact CB-CE 4.42Å; C18-M260 HydrophobicContact CB-SD 4.4Å; C18-M260 VanDerWaalsContact SG-SD 3.66Å
19C49.9Very low59.3Low57 Ų5784 Ų8439%0.38546%0.455SS..THydrogen-bonded Turntrans-46.1123.9-166.7-81.20000113.9R299C19-R299 VanDerWaalsContact CB-NH2 3.27Å; C19-R299 PolarHBondContact SG-NE 3.27Å
20L46Very low60.8Low151 Ų15181.2 Ų81.279%0.79143%0.434SS*.THydrogen-bonded Turntrans99.616.3-171.6-58.3173.4000116.6C18 L22C18-L20 PolarHBondContact O-N 3.33Å; L20-L22 PolarHBondContact O-N 3.07Å
21C52.2Low62.2Low124 Ų12475.6 Ų75.684%0.83840%0.403SS*.THydrogen-bonded Turntrans60.310.5-178.7-53.40000113.6C18C18-C21 PolarHBondContact O-N 2.79Å
22L56.5Low63.8Low69 Ų6971.8 Ų71.836%0.36138%0.382SS..EExtended strand (participates in β ladder)trans-85.9128.8175.7-109.181.6000109.2L20 V24 T26 I30L20-L22 PolarHBondContact O-N 3.07Å; L22-V24 PolarHBondContact O-N 3.45Å; L22-T26 HydrophobicContact CD2-CG2 3.45Å; L22-T26 VanDerWaalsContact CD2-CG2 3.45Å; L22-T26 HydrophobicContact CG-CG2 3.98Å; L22-I30 HydrophobicContact CD2-CD1 3.47Å; L22-I30 VanDerWaalsContact CD2-CD1 3.47Å
23H70.5Confident65.1Low58 Ų5872.1 Ų72.127%0.26937%0.373SS..EExtended strand (participates in β ladder)trans-53.8134.3168.7-167.5-121.9000109.1R25 T26 G27 Y267H23-R25 WeakPolarHBondContact ND1-CB 3.26Å; H23-R25 CarbonylContact O-C 3.58Å; H23-R25 PolarHBondContact O-N 3.27Å; H23-T26 WeakPolarHBondContact O-CA 3.29Å; H23-T26 WeakPolarHBondContact O-CB 3.49Å; H23-T26 PolarHBondContact O-N 2.83Å; H23-G27 PolarHBondContact O-N 3.24Å; H23-G27 VanDerWaalsContact O-N 3.11Å; H23-Y267 AromaticContact CE1-CD1 3.89Å; H23-Y267 AromaticContact CE1-CE1 3.19Å; H23-Y267 WeakPolarHBondContact CE1-CE1 3.36Å; H23-Y267 AromaticContact CE1-CZ 3.74Å; H23-Y267 AromaticContact NE2-CD1 3.79Å; H23-Y267 AromaticContact NE2-CE1 3.02Å; H23-Y267 WeakPolarHBondContact NE2-CE1 3.08Å; H23-Y267 AromaticContact NE2-CE2 3.97Å; H23-Y267 AromaticContact NE2-CZ 3.09Å; H23-Y267 PolarHBondContact NE2-OH 3.23Å
24V69.6Low66.4Low8 Ų866.1 Ų66.15%0.04836%0.358CS..Hα-helixtrans-48.7-32.1-179.2-720000112.4C18 L22 G27 T28 D263 C264 Y267C18-V24 HydrophobicContact CB-CG1 3.82Å; L22-V24 PolarHBondContact O-N 3.45Å; V24-G27 PolarHBondContact O-N 3.07Å; V24-T28 WeakPolarHBondContact O-CG2 3.28Å; V24-T28 PolarHBondContact O-N 3.37Å; V24-T28 PolarHBondContact O-OG1 2.9Å; V24-D263 HydrophobicContact CG1-CB 4.28Å; V24-C264 HydrophobicContact CB-CB 4.3Å; V24-C264 HydrophobicContact CG2-CB 4.19Å; V24-Y267 HydrophobicContact CG2-CD1 4.29Å; V24-Y267 HydrophobicContact CG2-CG 4.24Å
25R73.3Confident67.7Low47 Ų4761.6 Ų61.618%0.17734%0.338CS..Hα-helixtrans-62.3-49.6173.2-164.5-177.3-174.8154.35.5113.1H23 G27 T28 I29 A185 I186H23-R25 WeakPolarHBondContact ND1-CB 3.26Å; H23-R25 CarbonylContact O-C 3.58Å; H23-R25 PolarHBondContact O-N 3.27Å; R25-G27 VanDerWaalsContact C-N 3.27Å; R25-G27 PolarHBondContact O-N 2.73Å; R25-T28 WeakPolarHBondContact CA-OG1 3.26Å; R25-T28 PolarHBondContact O-N 3.03Å; R25-T28 PolarHBondContact O-OG1 3.47Å; R25-I29 HydrophobicContact CG-CD1 4.03Å; R25-I29 VanDerWaalsContact O-CG1 3.28Å; R25-I29 WeakPolarHBondContact O-CG1 3.23Å; R25-I29 PolarHBondContact O-N 3.21Å; R25-A185 VanDerWaalsContact CZ-O 3.29Å; R25-A185 PolarHBondContact NE-O 3.32Å; R25-A185 PolarHBondContact NH2-O 3.39Å; R25-I186 PolarHBondContact NH2-O 3.32Å
26T79.4Confident68.8Low58 Ų5855.8 Ų55.836%0.35631%0.311SS..Hα-helixtrans-61.4-40.8177.7-47.60000110.3L22 H23 T28 I29 I30L22-T26 HydrophobicContact CD2-CG2 3.45Å; L22-T26 VanDerWaalsContact CD2-CG2 3.45Å; L22-T26 HydrophobicContact CG-CG2 3.98Å; H23-T26 WeakPolarHBondContact O-CA 3.29Å; H23-T26 WeakPolarHBondContact O-CB 3.49Å; H23-T26 PolarHBondContact O-N 2.83Å; T26-T28 PolarHBondContact O-N 3.36Å; T26-I29 PolarHBondContact O-N 3.22Å; T26-I30 HydrophobicContact CG2-CD1 3.88Å; T26-I30 HydrophobicContact CG2-CG1 4.36Å; T26-I30 WeakPolarHBondContact O-CB 3.15Å; T26-I30 VanDerWaalsContact O-CG1 3.3Å; T26-I30 WeakPolarHBondContact O-CG1 3.31Å; T26-I30 PolarHBondContact O-N 3.2Å
27G75.8Confident70Confident20 Ų2058 Ų5821%0.20633%0.325CS..Hα-helixtrans-57.6-47.6173.500000112.8H23 V24 R25 I29 F31H23-G27 PolarHBondContact O-N 3.24Å; H23-G27 VanDerWaalsContact O-N 3.11Å; V24-G27 PolarHBondContact O-N 3.07Å; R25-G27 VanDerWaalsContact C-N 3.27Å; R25-G27 PolarHBondContact O-N 2.73Å; G27-I29 PolarHBondContact O-N 2.97Å; G27-F31 VanDerWaalsContact O-CB 3.31Å; G27-F31 WeakPolarHBondContact O-CB 3.2Å; G27-F31 PolarHBondContact O-N 2.86Å
28T77.3Confident71.2Confident12 Ų1257.7 Ų57.77%0.07432%0.319CS..Hα-helixtrans-64.7-37.417755.50000113.2V24 R25 T26 G32 V261 C264V24-T28 WeakPolarHBondContact O-CG2 3.28Å; V24-T28 PolarHBondContact O-N 3.37Å; V24-T28 PolarHBondContact O-OG1 2.9Å; R25-T28 WeakPolarHBondContact CA-OG1 3.26Å; R25-T28 PolarHBondContact O-N 3.03Å; R25-T28 PolarHBondContact O-OG1 3.47Å; T26-T28 PolarHBondContact O-N 3.36Å; T28-G32 PolarHBondContact O-N 3.01Å; T28-V261 HydrophobicContact CG2-CB 4.38Å; T28-V261 HydrophobicContact CG2-CG2 3.77Å; T28-C264 HydrophobicContact CG2-CB 3.9Å
29I79.7Confident72Confident42 Ų4257.4 Ų57.422%0.21531%0.314CS..Hα-helixtrans-67.1-49.4178.5-69.5165.6000110.2R25 T26 G27 F31 G32 I33 A185R25-I29 HydrophobicContact CG-CD1 4.03Å; R25-I29 VanDerWaalsContact O-CG1 3.28Å; R25-I29 WeakPolarHBondContact O-CG1 3.23Å; R25-I29 PolarHBondContact O-N 3.21Å; T26-I29 PolarHBondContact O-N 3.22Å; G27-I29 PolarHBondContact O-N 2.97Å; I29-F31 VanDerWaalsContact C-N 3.32Å; I29-F31 PolarHBondContact O-N 3.11Å; I29-G32 PolarHBondContact O-N 2.81Å; I29-I33 HydrophobicContact CG2-CD1 3.56Å; I29-I33 HydrophobicContact CG2-CG1 4.31Å; I29-I33 WeakPolarHBondContact O-CB 3.25Å; I29-I33 VanDerWaalsContact O-CG1 3.24Å; I29-I33 WeakPolarHBondContact O-CG1 3.47Å; I29-I33 PolarHBondContact O-N 3.41Å; I29-A185 HydrophobicContact CD1-CB 4.46Å; I29-A185 HydrophobicContact CG1-CB 3.73Å
30I81.9Confident73.3Confident85 Ų8559.8 Ų59.844%0.43632%0.322SS..Hα-helixtrans-59.8-47.1178.5-68.3170.5000109.7L22 T26 G32 I33 T34L22-I30 HydrophobicContact CD2-CD1 3.47Å; L22-I30 VanDerWaalsContact CD2-CD1 3.47Å; T26-I30 HydrophobicContact CG2-CD1 3.88Å; T26-I30 HydrophobicContact CG2-CG1 4.36Å; T26-I30 WeakPolarHBondContact O-CB 3.15Å; T26-I30 VanDerWaalsContact O-CG1 3.3Å; T26-I30 WeakPolarHBondContact O-CG1 3.31Å; T26-I30 PolarHBondContact O-N 3.2Å; I30-G32 PolarHBondContact O-N 3.47Å; I30-I33 PolarHBondContact O-N 2.88Å; I30-T34 WeakPolarHBondContact O-CB 3.25Å; I30-T34 PolarHBondContact O-N 3.22Å; I30-T34 PolarHBondContact O-OG1 3.43Å
31F79.3Confident74.7Confident34 Ų3457 Ų5715%0.14931%0.312CS..Hα-helixtrans-57.8-47.5177.7178.2-108.5000112.3G27 I29 I33 T34 Q35 M181 F253 C257G27-F31 VanDerWaalsContact O-CB 3.31Å; G27-F31 WeakPolarHBondContact O-CB 3.2Å; G27-F31 PolarHBondContact O-N 2.86Å; I29-F31 VanDerWaalsContact C-N 3.32Å; I29-F31 PolarHBondContact O-N 3.11Å; F31-I33 PolarHBondContact O-N 3.23Å; F31-T34 PolarHBondContact O-N 2.98Å; F31-Q35 HydrophobicContact CD2-CG 4.43Å; F31-Q35 HydrophobicContact CE1-CG 4.19Å; F31-Q35 HydrophobicContact CE2-CG 3.95Å; F31-Q35 HydrophobicContact CZ-CG 3.84Å; F31-Q35 VanDerWaalsContact O-CG 3.3Å; F31-Q35 WeakPolarHBondContact O-CG 3.25Å; F31-Q35 PolarHBondContact O-N 3.41Å; F31-M181 HydrophobicContact CD1-CE 4.25Å; F31-M181 HydrophobicContact CE1-CE 4.01Å; F31-F253 HydrophobicContact CD2-CE1 4.36Å; F31-F253 HydrophobicContact CD2-CZ 4.01Å; F31-F253 AromaticContact CE2-CE1 3.51Å; F31-F253 HydrophobicContact CE2-CE1 3.51Å; F31-F253 AromaticContact CE2-CZ 3.6Å; F31-F253 HydrophobicContact CE2-CZ 3.6Å; F31-F253 HydrophobicContact CZ-CE1 4.32Å; F31-C257 HydrophobicContact CD1-CB 4.11Å; F31-C257 VanDerWaalsContact CD2-SG 3.56Å; F31-C257 HydrophobicContact CE1-CB 3.62Å; F31-C257 HydrophobicContact CE2-CB 4.2Å; F31-C257 WeakPolarHBondContact CE2-SG 3.07Å; F31-C257 HydrophobicContact CZ-CB 3.67Å; F31-C257 WeakPolarHBondContact CZ-SG 3.44Å
32G77.8Confident75.6Confident0 Ų053.2 Ų53.20%028%0.281CS..Hα-helixtrans-61.3-43.6176.700000112.7T28 I29 I30 Q35 I36T28-G32 PolarHBondContact O-N 3.01Å; I29-G32 PolarHBondContact O-N 2.81Å; I30-G32 PolarHBondContact O-N 3.47Å; G32-Q35 PolarHBondContact O-N 2.85Å; G32-I36 VanDerWaalsContact O-CG1 3.27Å; G32-I36 WeakPolarHBondContact O-CG1 3.35Å; G32-I36 PolarHBondContact O-N 2.85Å
33I80.8Confident76.4Confident77 Ų7752.5 Ų52.540%0.39528%0.277SS..Hα-helixtrans-64.1-46.7177.9-68.9169.3000111I29 I30 F31 Q35 I36 I37I29-I33 HydrophobicContact CG2-CD1 3.56Å; I29-I33 HydrophobicContact CG2-CG1 4.31Å; I29-I33 WeakPolarHBondContact O-CB 3.25Å; I29-I33 VanDerWaalsContact O-CG1 3.24Å; I29-I33 WeakPolarHBondContact O-CG1 3.47Å; I29-I33 PolarHBondContact O-N 3.41Å; I30-I33 PolarHBondContact O-N 2.88Å; F31-I33 PolarHBondContact O-N 3.23Å; I33-Q35 VanDerWaalsContact C-N 3.28Å; I33-Q35 PolarHBondContact O-N 2.91Å; I33-I36 PolarHBondContact O-N 3.31Å; I33-I36 VanDerWaalsContact O-N 3.14Å; I33-I37 HydrophobicContact CG2-CD1 3.82Å; I33-I37 HydrophobicContact CG2-CG1 4.39Å; I33-I37 WeakPolarHBondContact O-CG1 3.4Å; I33-I37 PolarHBondContact O-N 3.48Å
34T78.9Confident76.7Confident69 Ų6952.7 Ų52.742%0.42329%0.285SS..Hα-helixtrans-58.6-42.7177.8-58.50000110.9I30 F31 I37 I38I30-T34 WeakPolarHBondContact O-CB 3.25Å; I30-T34 PolarHBondContact O-N 3.22Å; I30-T34 PolarHBondContact O-OG1 3.43Å; F31-T34 PolarHBondContact O-N 2.98Å; T34-I37 PolarHBondContact O-N 3.43Å; T34-I38 HydrophobicContact CG2-CD1 3.93Å; T34-I38 VanDerWaalsContact O-CG1 3.28Å; T34-I38 WeakPolarHBondContact O-CG1 3.23Å; T34-I38 PolarHBondContact O-N 3.42Å
35Q76Confident76.8Confident49 Ų4956 Ų5623%0.22930%0.299CS..Hα-helixtrans-63.9-41.3175.6-71-71.51.600112.5F31 G32 I33 I37 I38 Q39 C178F31-Q35 HydrophobicContact CD2-CG 4.43Å; F31-Q35 HydrophobicContact CE1-CG 4.19Å; F31-Q35 HydrophobicContact CE2-CG 3.95Å; F31-Q35 HydrophobicContact CZ-CG 3.84Å; F31-Q35 VanDerWaalsContact O-CG 3.3Å; F31-Q35 WeakPolarHBondContact O-CG 3.25Å; F31-Q35 PolarHBondContact O-N 3.41Å; G32-Q35 PolarHBondContact O-N 2.85Å; I33-Q35 VanDerWaalsContact C-N 3.28Å; I33-Q35 PolarHBondContact O-N 2.91Å; Q35-I37 PolarHBondContact O-N 3.48Å; Q35-I38 PolarHBondContact O-N 3.22Å; Q35-Q39 WeakPolarHBondContact O-CB 2.9Å; Q35-Q39 VanDerWaalsContact O-CG 3.32Å; Q35-Q39 WeakPolarHBondContact O-CG 3.08Å; Q35-Q39 PolarHBondContact O-N 2.88Å; Q35-C178 HydrophobicContact CB-CB 4.5Å
36I79Confident76.5Confident39 Ų3955.2 Ų55.220%0.230%0.298CS..Hα-helixtrans-60.5-45.6175.5-69.7166.2000110.8G32 I33 I38 Q39 L40 L175 C178 V182G32-I36 VanDerWaalsContact O-CG1 3.27Å; G32-I36 WeakPolarHBondContact O-CG1 3.35Å; G32-I36 PolarHBondContact O-N 2.85Å; I33-I36 PolarHBondContact O-N 3.31Å; I33-I36 VanDerWaalsContact O-N 3.14Å; I36-I38 PolarHBondContact O-N 3.24Å; I36-Q39 PolarHBondContact O-N 3.2Å; I36-L40 VanDerWaalsContact O-CB 3.32Å; I36-L40 WeakPolarHBondContact O-CB 3.26Å; I36-L40 PolarHBondContact O-N 2.69Å; I36-L175 HydrophobicContact CG2-CD1 4.23Å; I36-C178 HydrophobicContact CD1-CB 4.34Å; I36-C178 HydrophobicContact CG1-CB 3.6Å; I36-V182 HydrophobicContact CD1-CG2 3.86Å
37I79.2Confident76.1Confident100 Ų10058 Ų5851%0.51331%0.305SS..Hα-helixtrans-61.1-48179.6-67.5167.3000110.3I33 T34 Q35 Q39 L40 V41I33-I37 HydrophobicContact CG2-CD1 3.82Å; I33-I37 HydrophobicContact CG2-CG1 4.39Å; I33-I37 WeakPolarHBondContact O-CG1 3.4Å; I33-I37 PolarHBondContact O-N 3.48Å; T34-I37 PolarHBondContact O-N 3.43Å; Q35-I37 PolarHBondContact O-N 3.48Å; I37-Q39 VanDerWaalsContact C-N 3.33Å; I37-Q39 PolarHBondContact O-N 2.97Å; I37-L40 PolarHBondContact O-N 2.79Å; I37-V41 WeakPolarHBondContact O-CG2 3.47Å; I37-V41 PolarHBondContact O-N 3.46Å
38I76.1Confident75.9Confident78 Ų7861.4 Ų61.440%0.432%0.318SS..Hα-helixtrans-59.5-45.7178.9-68.8166.8000110.6T34 Q35 I36 L40 V41 F42T34-I38 HydrophobicContact CG2-CD1 3.93Å; T34-I38 VanDerWaalsContact O-CG1 3.28Å; T34-I38 WeakPolarHBondContact O-CG1 3.23Å; T34-I38 PolarHBondContact O-N 3.42Å; Q35-I38 PolarHBondContact O-N 3.22Å; I36-I38 PolarHBondContact O-N 3.24Å; I38-L40 PolarHBondContact O-N 2.92Å; I38-V41 PolarHBondContact O-N 3.25Å; I38-F42 WeakPolarHBondContact O-CB 3.3Å; I38-F42 PolarHBondContact O-N 3.5Å
39Q72.2Confident75.3Confident28 Ų2864.7 Ų64.713%0.13133%0.334CS..Hα-helixtrans-66.4-35.9178.3-71.3179.128.800112.7Q35 I36 I37 F42 I43 S174 C178Q35-Q39 WeakPolarHBondContact O-CB 2.9Å; Q35-Q39 VanDerWaalsContact O-CG 3.32Å; Q35-Q39 WeakPolarHBondContact O-CG 3.08Å; Q35-Q39 PolarHBondContact O-N 2.88Å; I36-Q39 PolarHBondContact O-N 3.2Å; I37-Q39 VanDerWaalsContact C-N 3.33Å; I37-Q39 PolarHBondContact O-N 2.97Å; Q39-F42 PolarHBondContact O-N 2.75Å; Q39-I43 WeakPolarHBondContact O-CB 3.22Å; Q39-I43 VanDerWaalsContact O-CG1 3.25Å; Q39-I43 WeakPolarHBondContact O-CG1 3.49Å; Q39-I43 PolarHBondContact O-N 3.32Å; Q39-S174 PolarHBondContact NE2-O 3.17Å; Q39-S174 PolarHBondContact OE1-O 3.14Å; Q39-C178 PolarHBondContact NE2-SG 2.98Å
40L76.9Confident74.6Confident107 Ų10766.2 Ų66.256%0.5635%0.345SS*.Hα-helixtrans-65.7-44.6176.7-169.6157.9000111.2I36 I37 I38 F42 I43 S44I36-L40 VanDerWaalsContact O-CB 3.32Å; I36-L40 WeakPolarHBondContact O-CB 3.26Å; I36-L40 PolarHBondContact O-N 2.69Å; I37-L40 PolarHBondContact O-N 2.79Å; I38-L40 PolarHBondContact O-N 2.92Å; L40-F42 VanDerWaalsContact C-N 3.26Å; L40-F42 PolarHBondContact O-N 2.91Å; L40-I43 PolarHBondContact O-N 3.31Å; L40-S44 WeakPolarHBondContact O-CB 3.29Å; L40-S44 PolarHBondContact O-N 2.92Å
41V77.2Confident73.9Confident94 Ų9468.5 Ų68.557%0.5735%0.352SS*.Hα-helixtrans-58.6-42.5174.1172.20000110.4I37 I38 S44 F45I37-V41 WeakPolarHBondContact O-CG2 3.47Å; I37-V41 PolarHBondContact O-N 3.46Å; I38-V41 PolarHBondContact O-N 3.25Å; V41-S44 WeakPolarHBondContact O-CB 3.39Å; V41-S44 PolarHBondContact O-N 3.46Å; V41-F45 WeakPolarHBondContact O-CB 3.35Å; V41-F45 PolarHBondContact O-N 2.88Å
42F70.9Confident73.3Confident44 Ų4470.2 Ų70.219%0.19336%0.363CS..Hα-helixtrans-68.6-42.4179.1-173.5-105.7000113.1I38 Q39 L40 S44 F45 L46 R81 T171I38-F42 WeakPolarHBondContact O-CB 3.3Å; I38-F42 PolarHBondContact O-N 3.5Å; Q39-F42 PolarHBondContact O-N 2.75Å; L40-F42 VanDerWaalsContact C-N 3.26Å; L40-F42 PolarHBondContact O-N 2.91Å; F42-S44 VanDerWaalsContact C-N 3.31Å; F42-S44 PolarHBondContact O-N 2.95Å; F42-F45 PolarHBondContact O-N 3.3Å; F42-L46 HydrophobicContact CD1-CD1 3.87Å; F42-L46 HydrophobicContact CD1-CG 4.28Å; F42-L46 HydrophobicContact CE1-CD1 3.57Å; F42-L46 HydrophobicContact CE1-CD2 4.36Å; F42-L46 HydrophobicContact CE1-CG 4.01Å; F42-L46 HydrophobicContact CZ-CD1 4.23Å; F42-L46 HydrophobicContact CZ-CD2 4.18Å; F42-L46 HydrophobicContact CZ-CG 4.24Å; F42-L46 WeakPolarHBondContact O-CG 3.13Å; F42-L46 PolarHBondContact O-N 3.23Å; F42-R81 HydrophobicContact CE1-CG 3.8Å; F42-R81 HydrophobicContact CZ-CG 3.69Å; F42-T171 HydrophobicContact CD1-CG2 3.68Å; F42-T171 HydrophobicContact CE1-CG2 3.61Å
43I73.6Confident72.3Confident54 Ų5474.4 Ų74.428%0.27739%0.39SS..Hα-helixtrans-61-42.7173-70.5164.8000110.2Q39 L40 F45 L46 F47 L175Q39-I43 WeakPolarHBondContact O-CB 3.22Å; Q39-I43 VanDerWaalsContact O-CG1 3.25Å; Q39-I43 WeakPolarHBondContact O-CG1 3.49Å; Q39-I43 PolarHBondContact O-N 3.32Å; L40-I43 PolarHBondContact O-N 3.31Å; I43-F45 VanDerWaalsContact C-N 3.33Å; I43-F45 PolarHBondContact O-N 2.97Å; I43-L46 PolarHBondContact O-N 2.8Å; I43-F47 VanDerWaalsContact O-CB 3.28Å; I43-F47 WeakPolarHBondContact O-CB 3.17Å; I43-F47 PolarHBondContact O-N 2.85Å; I43-L175 HydrophobicContact CD1-CD2 4.32Å
44S75.3Confident71Confident61 Ų6182 Ų8243%0.42741%0.414SS..Hα-helixtrans-60-43.7175.4-177.70000111.3L40 V41 F42 F47 L48L40-S44 WeakPolarHBondContact O-CB 3.29Å; L40-S44 PolarHBondContact O-N 2.92Å; V41-S44 WeakPolarHBondContact O-CB 3.39Å; V41-S44 PolarHBondContact O-N 3.46Å; F42-S44 VanDerWaalsContact C-N 3.31Å; F42-S44 PolarHBondContact O-N 2.95Å; S44-F47 WeakPolarHBondContact O-CB 3.1Å; S44-F47 PolarHBondContact O-N 3.23Å; S44-L48 WeakPolarHBondContact O-CG 3.23Å; S44-L48 PolarHBondContact O-N 2.92Å
45F72Confident69.7Low79 Ų7985.2 Ų85.235%0.34643%0.427SS..Hα-helixtrans-63.8-45.1175.6-178.3-96.5000112.8V41 F42 I43 F47 L48 M49 F73V41-F45 WeakPolarHBondContact O-CB 3.35Å; V41-F45 PolarHBondContact O-N 2.88Å; F42-F45 PolarHBondContact O-N 3.3Å; I43-F45 VanDerWaalsContact C-N 3.33Å; I43-F45 PolarHBondContact O-N 2.97Å; F45-F47 VanDerWaalsContact C-N 3.29Å; F45-F47 PolarHBondContact O-N 3.4Å; F45-L48 PolarHBondContact O-N 3.27Å; F45-M49 HydrophobicContact CD1-CG 4.37Å; F45-M49 HydrophobicContact CE1-CE 4.08Å; F45-M49 HydrophobicContact CE1-CG 3.82Å; F45-M49 HydrophobicContact CE2-CE 4.15Å; F45-M49 HydrophobicContact CZ-CE 3.4Å; F45-M49 VanDerWaalsContact CZ-CE 3.4Å; F45-M49 HydrophobicContact CZ-CG 3.9Å; F45-M49 PolarHBondContact O-N 3.4Å; F45-F73 HydrophobicContact CE1-CD1 4.13Å; F45-F73 HydrophobicContact CE1-CE1 4.04Å; F45-F73 HydrophobicContact CE2-CE1 4.21Å; F45-F73 AromaticContact CZ-CD1 3.89Å; F45-F73 HydrophobicContact CZ-CD1 3.89Å; F45-F73 AromaticContact CZ-CE1 3.34Å; F45-F73 HydrophobicContact CZ-CE1 3.34Å; F45-F73 HydrophobicContact CZ-CZ 4.18Å
46L66.4Low68.5Low30 Ų3088.2 Ų88.216%0.15744%0.444CS..Hα-helixtrans-62-39174.8-70.1173.8000112.1F42 I43 M49 T50 T171F42-L46 HydrophobicContact CD1-CD1 3.87Å; F42-L46 HydrophobicContact CD1-CG 4.28Å; F42-L46 HydrophobicContact CE1-CD1 3.57Å; F42-L46 HydrophobicContact CE1-CD2 4.36Å; F42-L46 HydrophobicContact CE1-CG 4.01Å; F42-L46 HydrophobicContact CZ-CD1 4.23Å; F42-L46 HydrophobicContact CZ-CD2 4.18Å; F42-L46 HydrophobicContact CZ-CG 4.24Å; F42-L46 WeakPolarHBondContact O-CG 3.13Å; F42-L46 PolarHBondContact O-N 3.23Å; I43-L46 PolarHBondContact O-N 2.8Å; L46-M49 PolarHBondContact O-N 3.39Å; L46-T50 VanDerWaalsContact O-CB 3.3Å; L46-T50 WeakPolarHBondContact O-CB 3.22Å; L46-T50 PolarHBondContact O-N 3.08Å; L46-T50 PolarHBondContact O-OG1 3.5Å; L46-T171 HydrophobicContact CD1-CG2 4.11Å
47F72Confident67.2Low116 Ų11690.8 Ų90.851%0.50946%0.463SS..Hα-helixtrans-63-49.5174.6-171.9-86000109.5I43 S44 F45 M49 T50 F51I43-F47 VanDerWaalsContact O-CB 3.28Å; I43-F47 WeakPolarHBondContact O-CB 3.17Å; I43-F47 PolarHBondContact O-N 2.85Å; S44-F47 WeakPolarHBondContact O-CB 3.1Å; S44-F47 PolarHBondContact O-N 3.23Å; F45-F47 VanDerWaalsContact C-N 3.29Å; F45-F47 PolarHBondContact O-N 3.4Å; F47-M49 VanDerWaalsContact C-N 3.27Å; F47-M49 PolarHBondContact O-N 2.78Å; F47-T50 PolarHBondContact O-N 3.4Å; F47-F51 AromaticContact CD1-CD2 3.52Å; F47-F51 HydrophobicContact CD1-CD2 3.52Å; F47-F51 AromaticContact CD1-CE2 3.99Å; F47-F51 HydrophobicContact CD1-CE2 3.99Å; F47-F51 HydrophobicContact CD1-CG 4.15Å; F47-F51 AromaticContact CD2-CD2 3.59Å; F47-F51 HydrophobicContact CD2-CD2 3.59Å; F47-F51 AromaticContact CD2-CE2 3.23Å; F47-F51 HydrophobicContact CD2-CE2 3.23Å; F47-F51 HydrophobicContact CD2-CZ 4.15Å; F47-F51 HydrophobicContact CE1-CB 4.43Å; F47-F51 HydrophobicContact CE1-CD1 4.32Å; F47-F51 AromaticContact CE1-CD2 3.42Å; F47-F51 HydrophobicContact CE1-CD2 3.42Å; F47-F51 VanDerWaalsContact CE1-CD2 3.42Å; F47-F51 AromaticContact CE1-CE2 3.7Å; F47-F51 HydrophobicContact CE1-CE2 3.7Å; F47-F51 AromaticContact CE1-CG 3.78Å; F47-F51 HydrophobicContact CE1-CG 3.78Å; F47-F51 HydrophobicContact CE1-CZ 4.21Å; F47-F51 AromaticContact CE2-CD2 3.53Å; F47-F51 HydrophobicContact CE2-CD2 3.53Å; F47-F51 HydrophobicContact CE2-CE1 4.34Å; F47-F51 AromaticContact CE2-CE2 2.9Å; F47-F51 HydrophobicContact CE2-CE2 2.9Å; F47-F51 HydrophobicContact CE2-CG 4.48Å; F47-F51 AromaticContact CE2-CZ 3.38Å; F47-F51 HydrophobicContact CE2-CZ 3.38Å; F47-F51 AromaticContact CG-CD2 3.6Å; F47-F51 HydrophobicContact CG-CD2 3.6Å; F47-F51 AromaticContact CG-CE2 3.77Å; F47-F51 HydrophobicContact CG-CE2 3.77Å; F47-F51 HydrophobicContact CZ-CD1 4.19Å; F47-F51 AromaticContact CZ-CD2 3.43Å; F47-F51 HydrophobicContact CZ-CD2 3.43Å; F47-F51 VanDerWaalsContact CZ-CD2 3.43Å; F47-F51 AromaticContact CZ-CE1 3.92Å; F47-F51 HydrophobicContact CZ-CE1 3.92Å; F47-F51 AromaticContact CZ-CE2 3.15Å; F47-F51 HydrophobicContact CZ-CE2 3.15Å; F47-F51 AromaticContact CZ-CG 3.96Å; F47-F51 HydrophobicContact CZ-CG 3.96Å; F47-F51 AromaticContact CZ-CZ 3.4Å; F47-F51 HydrophobicContact CZ-CZ 3.4Å; F47-F51 WeakPolarHBondContact O-CB 3.33Å; F47-F51 VanDerWaalsContact O-CD2 3.23Å; F47-F51 WeakPolarHBondContact O-CD2 3.27Å; F47-F51 PolarHBondContact O-N 3.27Å
48L71.4Confident65.7Low92 Ų9294.4 Ų94.448%0.48248%0.478SS..Hα-helixtrans-55.4-42.1175.4-72.8172.7000112.4S44 F45 N52S44-L48 WeakPolarHBondContact O-CG 3.23Å; S44-L48 PolarHBondContact O-N 2.92Å; F45-L48 PolarHBondContact O-N 3.27Å; L48-N52 WeakPolarHBondContact O-CA 3.45Å; L48-N52 VanDerWaalsContact O-CB 3.24Å; L48-N52 WeakPolarHBondContact O-CB 3.48Å; L48-N52 PolarHBondContact O-N 2.73Å; L48-N52 PolarHBondContact O-ND2 2.78Å; L48-N52 VanDerWaalsContact O-ND2 3.08Å
49M64.8Low64.3Low81 Ų8196.2 Ų96.240%0.39949%0.489SS..Hα-helixtrans-67.5-37.3175.1-78.8-68.8-172.200113.2F45 L46 F47 N52 F73F45-M49 HydrophobicContact CD1-CG 4.37Å; F45-M49 HydrophobicContact CE1-CE 4.08Å; F45-M49 HydrophobicContact CE1-CG 3.82Å; F45-M49 HydrophobicContact CE2-CE 4.15Å; F45-M49 HydrophobicContact CZ-CE 3.4Å; F45-M49 VanDerWaalsContact CZ-CE 3.4Å; F45-M49 HydrophobicContact CZ-CG 3.9Å; F45-M49 PolarHBondContact O-N 3.4Å; L46-M49 PolarHBondContact O-N 3.39Å; F47-M49 VanDerWaalsContact C-N 3.27Å; F47-M49 PolarHBondContact O-N 2.78Å; M49-N52 CarbonylContact O-C 3.59Å; M49-F73 HydrophobicContact CE-CE1 4.13Å; M49-F73 HydrophobicContact CE-CE2 4.39Å; M49-F73 HydrophobicContact CE-CZ 3.97Å
50T65Low63Low74 Ų74101.9 Ų101.945%0.45452%0.52SS..Hα-helixtrans-72.3-37.9179.5-57.90000111.6L46 F47L46-T50 VanDerWaalsContact O-CB 3.3Å; L46-T50 WeakPolarHBondContact O-CB 3.22Å; L46-T50 PolarHBondContact O-N 3.08Å; L46-T50 PolarHBondContact O-OG1 3.5Å; F47-T50 PolarHBondContact O-N 3.4Å
51F68.4Low61.4Low132 Ų132106.2 Ų106.258%0.57954%0.537SS*.Hα-helixtrans-88.8-23.2-177.9-76.9-93000112.8F47 P53F47-F51 AromaticContact CD1-CD2 3.52Å; F47-F51 HydrophobicContact CD1-CD2 3.52Å; F47-F51 AromaticContact CD1-CE2 3.99Å; F47-F51 HydrophobicContact CD1-CE2 3.99Å; F47-F51 HydrophobicContact CD1-CG 4.15Å; F47-F51 AromaticContact CD2-CD2 3.59Å; F47-F51 HydrophobicContact CD2-CD2 3.59Å; F47-F51 AromaticContact CD2-CE2 3.23Å; F47-F51 HydrophobicContact CD2-CE2 3.23Å; F47-F51 HydrophobicContact CD2-CZ 4.15Å; F47-F51 HydrophobicContact CE1-CB 4.43Å; F47-F51 HydrophobicContact CE1-CD1 4.32Å; F47-F51 AromaticContact CE1-CD2 3.42Å; F47-F51 HydrophobicContact CE1-CD2 3.42Å; F47-F51 VanDerWaalsContact CE1-CD2 3.42Å; F47-F51 AromaticContact CE1-CE2 3.7Å; F47-F51 HydrophobicContact CE1-CE2 3.7Å; F47-F51 AromaticContact CE1-CG 3.78Å; F47-F51 HydrophobicContact CE1-CG 3.78Å; F47-F51 HydrophobicContact CE1-CZ 4.21Å; F47-F51 AromaticContact CE2-CD2 3.53Å; F47-F51 HydrophobicContact CE2-CD2 3.53Å; F47-F51 HydrophobicContact CE2-CE1 4.34Å; F47-F51 AromaticContact CE2-CE2 2.9Å; F47-F51 HydrophobicContact CE2-CE2 2.9Å; F47-F51 HydrophobicContact CE2-CG 4.48Å; F47-F51 AromaticContact CE2-CZ 3.38Å; F47-F51 HydrophobicContact CE2-CZ 3.38Å; F47-F51 AromaticContact CG-CD2 3.6Å; F47-F51 HydrophobicContact CG-CD2 3.6Å; F47-F51 AromaticContact CG-CE2 3.77Å; F47-F51 HydrophobicContact CG-CE2 3.77Å; F47-F51 HydrophobicContact CZ-CD1 4.19Å; F47-F51 AromaticContact CZ-CD2 3.43Å; F47-F51 HydrophobicContact CZ-CD2 3.43Å; F47-F51 VanDerWaalsContact CZ-CD2 3.43Å; F47-F51 AromaticContact CZ-CE1 3.92Å; F47-F51 HydrophobicContact CZ-CE1 3.92Å; F47-F51 AromaticContact CZ-CE2 3.15Å; F47-F51 HydrophobicContact CZ-CE2 3.15Å; F47-F51 AromaticContact CZ-CG 3.96Å; F47-F51 HydrophobicContact CZ-CG 3.96Å; F47-F51 AromaticContact CZ-CZ 3.4Å; F47-F51 HydrophobicContact CZ-CZ 3.4Å; F47-F51 WeakPolarHBondContact O-CB 3.33Å; F47-F51 VanDerWaalsContact O-CD2 3.23Å; F47-F51 WeakPolarHBondContact O-CD2 3.27Å; F47-F51 PolarHBondContact O-N 3.27Å; F51-P53 VanDerWaalsContact O-CD 3.32Å; F51-P53 WeakPolarHBondContact O-CD 3.49Å
52N65Low59.8Low71 Ų71104 Ų10438%0.3853%0.533SS..  trans-117.662.1172.3-55.3-82.5000112.3L48 M49 R54 L55L48-N52 WeakPolarHBondContact O-CA 3.45Å; L48-N52 VanDerWaalsContact O-CB 3.24Å; L48-N52 WeakPolarHBondContact O-CB 3.48Å; L48-N52 PolarHBondContact O-N 2.73Å; L48-N52 PolarHBondContact O-ND2 2.78Å; L48-N52 VanDerWaalsContact O-ND2 3.08Å; M49-N52 CarbonylContact O-C 3.59Å; N52-R54 PolarHBondContact O-N 3.34Å; N52-L55 HydrophobicContact CB-CB 4.5Å; N52-L55 HydrophobicContact CB-CD1 3.9Å; N52-L55 PolarHBondContact O-N 2.83Å
53P58.3Low58.6Low88 Ų88110 Ų11057%0.57157%0.567SS**THydrogen-bonded Turntrans-65.7-3.8171.330.5-34.8000112.3F51F51-P53 VanDerWaalsContact O-CD 3.32Å; F51-P53 WeakPolarHBondContact O-CD 3.49Å
54R52.5Low57.5Low237 Ų237112.6 Ų112.689%0.89459%0.586SS**THydrogen-bonded Turntrans-100.55.6-176.4-69.1-161.3165.6176.4-2.6115.3N52N52-R54 PolarHBondContact O-N 3.34Å
55L51.1Low56.2Low135 Ų135114.8 Ų114.871%0.70759%0.593SS**  trans-9813.1172.5-90.9157.9000112.8N52 P57N52-L55 HydrophobicContact CB-CB 4.5Å; N52-L55 HydrophobicContact CB-CD1 3.9Å; N52-L55 PolarHBondContact O-N 2.83Å; L55-P57 WeakPolarHBondContact O-CD 3.42Å
56I51.6Low55.3Low112 Ų112115.6 Ų115.657%0.57461%0.606SS**SBendtrans-82.1104.1160.8-57.3173.3000105.2E58I56-E58 PolarHBondContact O-N 3.23Å
57P51.4Low54.6Low94 Ų94117.2 Ų117.261%0.6162%0.62SS**  trans-62.6109.6172.328-32.4000107.4L55 D59L55-P57 WeakPolarHBondContact O-CD 3.42Å; P57-D59 HydrophobicContact CB-CB 4.37Å; P57-D59 WeakPolarHBondContact CB-OD1 3.46Å; P57-D59 PolarHBondContact O-N 3.42Å
58E47.6Very low53.7Low176 Ų176116.3 Ų116.382%0.82262%0.617SS**  trans-78.158.6151.3-78.1-108.1126.100106.8I56 N60I56-E58 PolarHBondContact O-N 3.23Å; E58-N60 VanDerWaalsContact C-N 3.26Å; E58-N60 PolarHBondContact O-N 3.39Å
59D47.5Very low52.7Low116 Ų116116.2 Ų116.262%0.6262%0.617SS**  trans-77.591166.559.9-28.8000107.9P57 H61P57-D59 HydrophobicContact CB-CB 4.37Å; P57-D59 WeakPolarHBondContact CB-OD1 3.46Å; P57-D59 PolarHBondContact O-N 3.42Å; D59-H61 PolarHBondContact O-N 2.97Å; D59-H61 VanDerWaalsContact O-N 3.16Å
60N43.8Very low52.1Low147 Ų147118.4 Ų118.479%0.78662%0.624SS**SBendtrans-37.5121.7152.6-77.8-80000108.9E58E58-N60 VanDerWaalsContact C-N 3.26Å; E58-N60 PolarHBondContact O-N 3.39Å
61H43.4Very low51.6Low197 Ų197119.4 Ų119.491%0.91263%0.626SS**SBendtrans8778.6166.6-149.4-53.3000116.9D59D59-H61 PolarHBondContact O-N 2.97Å; D59-H61 VanDerWaalsContact O-N 3.16Å
62G44.9Very low50.9Low48 Ų48119.1 Ų119.150%0.49562%0.621SS.*  trans-178.249.8172.200000118.9T64G62-T64 VanDerWaalsContact C-N 3.26Å; G62-T64 PolarHBondContact O-N 3.04Å; G62-T64 PolarHBondContact O-OG1 3.36Å; G62-T64 VanDerWaalsContact O-OG1 3.06Å
63N44.4Very low50.4Low169 Ų169120.5 Ų120.590%0.90462%0.624SS**  trans31.643.4156.7-152.831.2000118.8
64T51Low50.3Low110 Ų110124.3 Ų124.368%0.67563%0.628SS**  trans-135.5112.7172.8-43.70000106.5G62 P66G62-T64 VanDerWaalsContact C-N 3.26Å; G62-T64 PolarHBondContact O-N 3.04Å; G62-T64 PolarHBondContact O-OG1 3.36Å; G62-T64 VanDerWaalsContact O-OG1 3.06Å; T64-P66 VanDerWaalsContact O-CD 3.29Å; T64-P66 WeakPolarHBondContact O-CD 3.38Å
65D47.6Very low50.4Low106 Ų106116 Ų11657%0.56760%0.604SS**  trans-64.5116.2-165.7-66.1-44.3000111.5S67 E68D65-S67 PolarHBondContact O-N 2.81Å; D65-E68 PolarHBondContact O-N 2.76Å
66P52.6Low50.6Low97 Ų97115.4 Ų115.463%0.6360%0.596SS**Hα-helixtrans-65-0.1-179.926.4-34.8000113.7T64T64-P66 VanDerWaalsContact O-CD 3.29Å; T64-P66 WeakPolarHBondContact O-CD 3.38Å
67S53.3Low50.5Low63 Ų63111.4 Ų111.444%0.44158%0.577SS.*Hα-helixtrans-75.8-35.9168.751.70000112.8D65 I71D65-S67 PolarHBondContact O-N 2.81Å; S67-I71 WeakPolarHBondContact O-CB 3.5Å; S67-I71 VanDerWaalsContact O-CD1 3.26Å; S67-I71 WeakPolarHBondContact O-CD1 3.12Å; S67-I71 WeakPolarHBondContact O-CG1 3.08Å; S67-I71 PolarHBondContact O-N 2.92Å
68E53.1Low50.6Low97 Ų97109.4 Ų109.445%0.45356%0.564SS.*Hα-helixtrans-67.1-44.7-172.5-85.3-152.9133.300112.5D65 K70 I71 R72D65-E68 PolarHBondContact O-N 2.76Å; E68-K70 PolarHBondContact O-N 3.3Å; E68-I71 PolarHBondContact O-N 3.16Å; E68-R72 VanDerWaalsContact O-CG 3.25Å; E68-R72 WeakPolarHBondContact O-CG 3.35Å; E68-R72 PolarHBondContact O-N 3.18Å; E68-R72 IonicContact OE1-NH2 3.67Å; E68-R72 IonicContact OE2-CZ 3.85Å; E68-R72 IonicContact OE2-NH2 2.73Å; E68-R72 PolarHBondContact OE2-NH2 3.4Å
69D49.8Very low50.9Low91 Ų91103.6 Ų103.649%0.48754%0.538SS..Hα-helixtrans-65.9-43.5-178.7-72-22.3000111.1I71 R72 F73D69-I71 VanDerWaalsContact C-N 3.33Å; D69-I71 PolarHBondContact O-N 3.42Å; D69-R72 PolarHBondContact O-N 3.39Å; D69-R72 IonicContact OD1-NE 3.99Å; D69-F73 HydrophobicContact CB-CD2 4.46Å; D69-F73 HydrophobicContact CB-CE2 4.22Å; D69-F73 WeakPolarHBondContact O-CD2 3.27Å; D69-F73 PolarHBondContact O-N 3.2Å
70K51.5Low51.1Low126 Ų126104.3 Ų104.355%0.54854%0.536SS..Hα-helixtrans-59.4-44.8173.8-69.3177.2-175.5171.20110.9E68 R72 F73 Y74E68-K70 PolarHBondContact O-N 3.3Å; K70-R72 PolarHBondContact O-N 3.27Å; K70-F73 PolarHBondContact O-N 3.48Å; K70-Y74 HydrophobicContact CB-CD2 4.46Å; K70-Y74 WeakPolarHBondContact O-CD2 3.07Å; K70-Y74 PolarHBondContact O-N 2.91Å
71I54.4Low51.6Low96 Ų9699 Ų9949%0.49250%0.504SS..Hα-helixtrans-61.2-44.3177.1-70.2162.6000110.6S67 E68 D69 F73 Y74 V75S67-I71 WeakPolarHBondContact O-CB 3.5Å; S67-I71 VanDerWaalsContact O-CD1 3.26Å; S67-I71 WeakPolarHBondContact O-CD1 3.12Å; S67-I71 WeakPolarHBondContact O-CG1 3.08Å; S67-I71 PolarHBondContact O-N 2.92Å; E68-I71 PolarHBondContact O-N 3.16Å; D69-I71 VanDerWaalsContact C-N 3.33Å; D69-I71 PolarHBondContact O-N 3.42Å; I71-F73 PolarHBondContact O-N 3.49Å; I71-Y74 PolarHBondContact O-N 2.87Å; I71-V75 HydrophobicContact CG2-CG2 4.06Å; I71-V75 VanDerWaalsContact O-CB 3.25Å; I71-V75 WeakPolarHBondContact O-CB 3.22Å; I71-V75 WeakPolarHBondContact O-CG2 3.44Å; I71-V75 PolarHBondContact O-N 3.42Å
72R54.3Low51.9Low126 Ų12690.4 Ų90.448%0.47547%0.465SS..Hα-helixtrans-59.2-48.2174.7-66.2166.9-153.4-125.67.8110.1E68 D69 K70 Y74 V75 F76E68-R72 VanDerWaalsContact O-CG 3.25Å; E68-R72 WeakPolarHBondContact O-CG 3.35Å; E68-R72 PolarHBondContact O-N 3.18Å; E68-R72 IonicContact OE1-NH2 3.67Å; E68-R72 IonicContact OE2-CZ 3.85Å; E68-R72 IonicContact OE2-NH2 2.73Å; E68-R72 PolarHBondContact OE2-NH2 3.4Å; D69-R72 PolarHBondContact O-N 3.39Å; D69-R72 IonicContact OD1-NE 3.99Å; K70-R72 PolarHBondContact O-N 3.27Å; R72-Y74 PolarHBondContact O-N 3.31Å; R72-V75 PolarHBondContact O-N 3.09Å; R72-F76 WeakPolarHBondContact O-CB 3.03Å; R72-F76 VanDerWaalsContact O-CD2 3.23Å; R72-F76 WeakPolarHBondContact O-CD2 3.49Å; R72-F76 PolarHBondContact O-N 2.73Å
73F53.7Low52.1Low99 Ų9989.6 Ų89.643%0.43445%0.451SS..Hα-helixtrans-61.9-39.9177.6-73-61.7000113.4F45 M49 D69 K70 I71 S77F45-F73 HydrophobicContact CE1-CD1 4.13Å; F45-F73 HydrophobicContact CE1-CE1 4.04Å; F45-F73 HydrophobicContact CE2-CE1 4.21Å; F45-F73 AromaticContact CZ-CD1 3.89Å; F45-F73 HydrophobicContact CZ-CD1 3.89Å; F45-F73 AromaticContact CZ-CE1 3.34Å; F45-F73 HydrophobicContact CZ-CE1 3.34Å; F45-F73 HydrophobicContact CZ-CZ 4.18Å; M49-F73 HydrophobicContact CE-CE1 4.13Å; M49-F73 HydrophobicContact CE-CE2 4.39Å; M49-F73 HydrophobicContact CE-CZ 3.97Å; D69-F73 HydrophobicContact CB-CD2 4.46Å; D69-F73 HydrophobicContact CB-CE2 4.22Å; D69-F73 WeakPolarHBondContact O-CD2 3.27Å; D69-F73 PolarHBondContact O-N 3.2Å; K70-F73 PolarHBondContact O-N 3.48Å; I71-F73 PolarHBondContact O-N 3.49Å; F73-S77 WeakPolarHBondContact O-CA 3.25Å; F73-S77 WeakPolarHBondContact O-CB 3.06Å; F73-S77 PolarHBondContact O-N 2.81Å
74Y56.5Low52.2Low168 Ų16883.5 Ų83.566%0.65942%0.421SS*.Hα-helixtrans-69-42174.9-83.5-71.4000111.6K70 I71 R72 S77 T78K70-Y74 HydrophobicContact CB-CD2 4.46Å; K70-Y74 WeakPolarHBondContact O-CD2 3.07Å; K70-Y74 PolarHBondContact O-N 2.91Å; I71-Y74 PolarHBondContact O-N 2.87Å; R72-Y74 PolarHBondContact O-N 3.31Å; Y74-S77 PolarHBondContact O-N 3Å; Y74-T78 WeakPolarHBondContact O-CB 3.44Å; Y74-T78 PolarHBondContact O-N 3.01Å; Y74-T78 PolarHBondContact O-OG1 3.46Å
75V55.9Low51.6Low64 Ų6481.1 Ų81.139%0.38841%0.412SS..Hα-helixtrans-66.1-44.4178.2169.20000110.3I71 R72 T78 L79I71-V75 HydrophobicContact CG2-CG2 4.06Å; I71-V75 VanDerWaalsContact O-CB 3.25Å; I71-V75 WeakPolarHBondContact O-CB 3.22Å; I71-V75 WeakPolarHBondContact O-CG2 3.44Å; I71-V75 PolarHBondContact O-N 3.42Å; R72-V75 PolarHBondContact O-N 3.09Å; V75-T78 PolarHBondContact O-N 2.91Å; V75-L79 HydrophobicContact CG1-CD1 3.44Å; V75-L79 VanDerWaalsContact CG1-CD1 3.44Å; V75-L79 HydrophobicContact CG1-CG 4.35Å; V75-L79 WeakPolarHBondContact O-CB 3.32Å; V75-L79 WeakPolarHBondContact O-CD1 3.27Å; V75-L79 WeakPolarHBondContact O-CG 3.09Å; V75-L79 PolarHBondContact O-N 2.84Å
76F54.3Low51.2Low122 Ų12280.3 Ų80.354%0.53541%0.411SS..Hα-helixtrans-64.8-43.2172.3-87.1-83.8000111.5R72 T78 L79 F80R72-F76 WeakPolarHBondContact O-CB 3.03Å; R72-F76 VanDerWaalsContact O-CD2 3.23Å; R72-F76 WeakPolarHBondContact O-CD2 3.49Å; R72-F76 PolarHBondContact O-N 2.73Å; F76-T78 VanDerWaalsContact C-N 3.34Å; F76-T78 PolarHBondContact O-N 2.77Å; F76-L79 PolarHBondContact O-N 3.44Å; F76-F80 HydrophobicContact CB-CD2 4.46Å; F76-F80 AromaticContact CD1-CD2 3.73Å; F76-F80 HydrophobicContact CD1-CD2 3.73Å; F76-F80 AromaticContact CD1-CE2 3.4Å; F76-F80 HydrophobicContact CD1-CE2 3.4Å; F76-F80 VanDerWaalsContact CD1-CE2 3.4Å; F76-F80 HydrophobicContact CD1-CZ 4.42Å; F76-F80 AromaticContact CE1-CE2 3.75Å; F76-F80 HydrophobicContact CE1-CE2 3.75Å; F76-F80 HydrophobicContact CE1-CZ 4.48Å; F76-F80 WeakPolarHBondContact O-CB 3.39Å; F76-F80 VanDerWaalsContact O-CD2 3.25Å; F76-F80 WeakPolarHBondContact O-CD2 3.3Å; F76-F80 PolarHBondContact O-N 2.78Å
77S50.5Low50.8Low27 Ų2778.5 Ų78.519%0.18940%0.4CS..Hα-helixtrans-63.2-39.4175.5-179.60000111.7F73 Y74 R81F73-S77 WeakPolarHBondContact O-CA 3.25Å; F73-S77 WeakPolarHBondContact O-CB 3.06Å; F73-S77 PolarHBondContact O-N 2.81Å; Y74-S77 PolarHBondContact O-N 3Å; S77-R81 VanDerWaalsContact O-CA 3.3Å; S77-R81 WeakPolarHBondContact O-CA 3.48Å; S77-R81 WeakPolarHBondContact O-CB 3.33Å; S77-R81 WeakPolarHBondContact O-CG 3.24Å; S77-R81 PolarHBondContact O-N 3.43Å; S77-R81 PolarHBondContact OG-NH1 2.85Å
78T52.3Low50.2Low53 Ų5380.4 Ų80.433%0.32541%0.405SS..Hα-helixtrans-75.5-37.5179.4-62.50000111.7Y74 V75 F76Y74-T78 WeakPolarHBondContact O-CB 3.44Å; Y74-T78 PolarHBondContact O-N 3.01Å; Y74-T78 PolarHBondContact O-OG1 3.46Å; V75-T78 PolarHBondContact O-N 2.91Å; F76-T78 VanDerWaalsContact C-N 3.34Å; F76-T78 PolarHBondContact O-N 2.77Å
79L53.6Low49.5Very low53 Ų5382.7 Ų82.728%0.27742%0.419SS..Hα-helixtrans-70.5-36.8175.6-80.9161.3000112.3V75 F76 I246V75-L79 HydrophobicContact CG1-CD1 3.44Å; V75-L79 VanDerWaalsContact CG1-CD1 3.44Å; V75-L79 HydrophobicContact CG1-CG 4.35Å; V75-L79 WeakPolarHBondContact O-CB 3.32Å; V75-L79 WeakPolarHBondContact O-CD1 3.27Å; V75-L79 WeakPolarHBondContact O-CG 3.09Å; V75-L79 PolarHBondContact O-N 2.84Å; F76-L79 PolarHBondContact O-N 3.44Å; L79-I246 HydrophobicContact CD2-CB 4.28Å; L79-I246 HydrophobicContact CD2-CD1 4.42Å; L79-I246 HydrophobicContact CD2-CG2 3.5Å
80F53.2Low49.1Very low132 Ų13282.9 Ų82.958%0.57942%0.417SS*.Hα-helixtrans-100.6-19.6-174.9-71.9-92.2000113.8F76F76-F80 HydrophobicContact CB-CD2 4.46Å; F76-F80 AromaticContact CD1-CD2 3.73Å; F76-F80 HydrophobicContact CD1-CD2 3.73Å; F76-F80 AromaticContact CD1-CE2 3.4Å; F76-F80 HydrophobicContact CD1-CE2 3.4Å; F76-F80 VanDerWaalsContact CD1-CE2 3.4Å; F76-F80 HydrophobicContact CD1-CZ 4.42Å; F76-F80 AromaticContact CE1-CE2 3.75Å; F76-F80 HydrophobicContact CE1-CE2 3.75Å; F76-F80 HydrophobicContact CE1-CZ 4.48Å; F76-F80 WeakPolarHBondContact O-CB 3.39Å; F76-F80 VanDerWaalsContact O-CD2 3.25Å; F76-F80 WeakPolarHBondContact O-CD2 3.3Å; F76-F80 PolarHBondContact O-N 2.78Å
81R53.2Low48.7Very low34 Ų3482.8 Ų82.813%0.12842%0.418CS..  trans-102.563.5166.7-60.7178149.5133.7-2.1111.7F42 S77 V83 A167F42-R81 HydrophobicContact CE1-CG 3.8Å; F42-R81 HydrophobicContact CZ-CG 3.69Å; S77-R81 VanDerWaalsContact O-CA 3.3Å; S77-R81 WeakPolarHBondContact O-CA 3.48Å; S77-R81 WeakPolarHBondContact O-CB 3.33Å; S77-R81 WeakPolarHBondContact O-CG 3.24Å; S77-R81 PolarHBondContact O-N 3.43Å; S77-R81 PolarHBondContact OG-NH1 2.85Å; R81-V83 PolarHBondContact O-N 3.29Å; R81-A167 PolarHBondContact NH2-O 3.08Å; R81-A167 VanDerWaalsContact NH2-O 3.09Å
82L50Low47.8Very low18 Ų1882.4 Ų82.49%0.09442%0.424CS..  trans-68.855.2149.6-145.481.3000108.8C207 I211 L251 K254L82-C207 HydrophobicContact CD2-CB 3.55Å; L82-C207 WeakPolarHBondContact CD2-SG 3.36Å; L82-C207 HydrophobicContact CG-CB 3.82Å; L82-C207 WeakPolarHBondContact CG-SG 3.3Å; L82-I211 HydrophobicContact CD1-CD1 4.43Å; L82-I211 HydrophobicContact CD1-CG1 4.48Å; L82-L251 HydrophobicContact CD2-CD2 4.5Å; L82-K254 HydrophobicContact CD2-CD 4.25Å; L82-K254 PolarHBondContact O-NZ 2.84Å
83V49Very low47.1Very low30 Ų3083.9 Ų83.918%0.18244%0.441CS..SBendtrans-127.2122172-166.90000105R81 A85 V170 S174R81-V83 PolarHBondContact O-N 3.29Å; V83-A85 PolarHBondContact O-N 3.43Å; V83-V170 HydrophobicContact CB-CG1 3.4Å; V83-V170 HydrophobicContact CG1-CB 4.24Å; V83-V170 HydrophobicContact CG1-CG1 3.16Å; V83-V170 HydrophobicContact CG2-CG1 4.37Å; V83-S174 WeakPolarHBondContact CG1-OG 3.46Å; V83-S174 WeakPolarHBondContact CG2-OG 3.44Å
84P45.9Very low46.2Very low42 Ų4283.4 Ų83.427%0.27345%0.446SS..SBendtrans-61.9127.3-176.315.4-23.8000112.5V170 I206P84-V170 WeakPolarHBondContact O-CG2 3.45Å; P84-I206 HydrophobicContact CB-CB 4.36Å; P84-I206 HydrophobicContact CB-CD1 4.45Å; P84-I206 HydrophobicContact CB-CG2 3.28Å; P84-I206 HydrophobicContact CG-CB 4.03Å; P84-I206 HydrophobicContact CG-CD1 3.77Å; P84-I206 HydrophobicContact CG-CG1 4.5Å; P84-I206 HydrophobicContact CG-CG2 3.47Å; P84-I206 VanDerWaalsContact CG-CG2 3.47Å
85A38.9Very low45.2Very low59 Ų5982.8 Ų82.849%0.48845%0.453SS..SBendtrans153.915.7141.100000114V83 I166 V170V83-A85 PolarHBondContact O-N 3.43Å; A85-I166 HydrophobicContact CB-CG2 4.04Å; A85-V170 HydrophobicContact CB-CG2 3.72Å
86V40Very low44.4Very low90 Ų9085.3 Ų85.355%0.54547%0.471SS..SBendtrans-13761.8175.3-1660000111.5I166V86-I166 HydrophobicContact CG2-CG2 4.15Å
87S43.2Very low43.3Very low59 Ų5984.6 Ų84.641%0.41348%0.482SS..SBendtrans-150.7116.9158.7-46.30000107H210S87-H210 PolarHBondContact OG-NE2 3.18Å
88D40.4Very low42.8Very low103 Ų10388.4 Ų88.455%0.55151%0.506SS*.  trans79.360.6159.8-54-33.5000122.5
89I40Very low41.9Very low145 Ų14589.8 Ų89.874%0.74453%0.53SS*.SBendtrans-113.325.8150.1-40.1178.4000111.1
90H41.5Very low41Very low95 Ų9594.1 Ų94.144%0.4456%0.559SS.*SBendtrans-108-15.6176.6-171.1-111.3000114.5I159H90-I159 VanDerWaalsContact CD2-CD1 3.5Å; H90-I159 WeakPolarHBondContact CD2-CD1 3.36Å; H90-I159 WeakPolarHBondContact CD2-CG2 3.45Å; H90-I159 WeakPolarHBondContact NE2-CD1 3.45Å; H90-I159 WeakPolarHBondContact NE2-CG2 3.42Å
91E42.7Very low39.9Very low123 Ų12399 Ų9958%0.57557%0.574SS**SBendtrans-101.8-6.5178.1-78.4-141.411400114.8L93 T94E91-L93 PolarHBondContact O-N 2.92Å; E91-L93 VanDerWaalsContact O-N 3.16Å; E91-T94 PolarHBondContact O-N 3.25Å; E91-T94 PolarHBondContact O-OG1 2.83Å
92S34.5Very low38.8Very low88 Ų88104.6 Ų104.662%0.61561%0.606SS**THydrogen-bonded Turntrans-77.89.4175.739.50000114.6
93L39.1Very low38.2Very low158 Ų158108.4 Ų108.483%0.82763%0.63SS**THydrogen-bonded Turntrans-120.75.6171.1-139.482.4000114.6E91E91-L93 PolarHBondContact O-N 2.92Å; E91-L93 VanDerWaalsContact O-N 3.16Å
94T36.5Very low37.2Very low89 Ų89114.7 Ų114.755%0.54666%0.662SS.*  trans-10867.8174.550.90000110E91 P96E91-T94 PolarHBondContact O-N 3.25Å; E91-T94 PolarHBondContact O-OG1 2.83Å; T94-P96 VanDerWaalsContact O-CD 3.23Å; T94-P96 WeakPolarHBondContact O-CD 3.44Å
95L33.9Very low36.8Very low154 Ų154116.5 Ų116.581%0.80669%0.689SS**  trans-67.7118.6154.6-96.598.2000107.8S97L95-S97 PolarHBondContact O-N 3.25Å; L95-S97 VanDerWaalsContact O-N 3.17Å
96P40.1Very low36.4Very low117 Ų117121.2 Ų121.276%0.7671%0.706SS**  trans-73103.3156.930.2-27000106.8T94T94-P96 VanDerWaalsContact O-CD 3.23Å; T94-P96 WeakPolarHBondContact O-CD 3.44Å
97S31.7Very low36Very low108 Ų108125.6 Ų125.676%0.75572%0.717SS**PPolyproline II helixtrans-57.8132.2171-171.20000109.3L95L95-S97 PolarHBondContact O-N 3.25Å; L95-S97 VanDerWaalsContact O-N 3.17Å
98P39.5Very low35.3Very low107 Ų107129.9 Ų129.970%0.69574%0.735SS**PPolyproline II helixtrans-68.9138.5-167.527.8-34.2000111.5T100P98-T100 PolarHBondContact O-N 3.08Å
99G33.1Very low34.8Very low81 Ų81134.8 Ų134.884%0.83575%0.747SS**PPolyproline II helixtrans-58.6118.6172.400000111.9R101G99-R101 PolarHBondContact O-N 3.07Å
100T35.5Very low34.3Very low145 Ų145136.4 Ų136.489%0.8976%0.756SS**  trans-84.3105.3163.710.80000109.4P98P98-T100 PolarHBondContact O-N 3.08Å
101R28.9Very low34Very low235 Ų235135.4 Ų135.489%0.88777%0.772SS**  trans-56.7135.6158.8-79172.4163.6161.6-5.4110.6G99G99-R101 PolarHBondContact O-N 3.07Å
102N31.4Very low33.5Very low150 Ų150137.3 Ų137.380%0.80278%0.78SS**  trans-162.697.7147.2-156.6-2.5000107.2
103V36.6Very low33.5Very low99 Ų99139 Ų13960%0.678%0.782SS**  54.1108.474.9-171.90000113.6
104N28.8Very low33.2Very low162 Ų162136.7 Ų136.787%0.86677%0.774SS**  trans60117.3153.2-62.5-10.4000119.7
105G36.8Very low33.1Very low80 Ų80141.1 Ų141.183%0.82579%0.789SS**  trans-178.386.916300000113.1
106N30Very low32.8Very low157 Ų157139.1 Ų139.184%0.8479%0.788SS**  trans-49.9155.9167-70.9-25.2000112.9
107K31.6Very low32.4Very low183 Ų183142.1 Ų142.180%0.79679%0.792SS**  trans71.4118.7152-106.4-179.9168.91770116.3
108L29Very low32.6Very low149 Ų149143.6 Ų143.678%0.7880%0.797SS**  176.1148.983.9-142.892.6000111
109Y29.8Very low32.1Very low206 Ų206145.3 Ų145.381%0.80880%0.8SS**  trans-70.9156.2-173.1-67-105.3000114.6
110L30.3Very low32.1Very low179 Ų179150.9 Ų150.994%0.93780%0.802SS**  175.3130.4107.9-158.175.8000110.3
111G34.1Very low31.9Very low74 Ų74149.1 Ų149.176%0.76379%0.787SS**  trans159.734.217000000119.7
112H32.3Very low32.2Very low162 Ų162147 Ų14775%0.7578%0.78SS**  trans26.1129.1146.9-151.8-105.6000122.4
113N34.4Very low32.4Very low124 Ų124145.6 Ų145.666%0.66377%0.773SS**  trans123.589.2150-69.8-53.4000112.9
114V33.5Very low32.5Very low109 Ų109148.4 Ų148.466%0.66178%0.783SS**  68.4109.188.8177.40000108.8
115E33.2Very low33Very low182 Ų182146 Ų14685%0.8578%0.776SS**  -160.2139.253.7-149.3143.187.400109.9
116S27.9Very low33.2Very low113 Ų113148 Ų14879%0.7977%0.774SS**  trans-97.2141.4177.8-59.30000109.2
117E33Very low33.5Very low180 Ų180144 Ų14484%0.84177%0.77SS**  trans-153.3111.5143.9-75.3-148.5128.400111.7
118T34.6Very low33.6Very low139 Ų139144.2 Ų144.285%0.85377%0.767SS**  trans-85.8131.416045.90000108.8
119N29.8Very low34Very low143 Ų143143.5 Ų143.577%0.76576%0.758SS**  trans-122.5111.4169.8-97.8-52.4000111
120F33Very low34.3Very low198 Ų198139 Ų13987%0.86875%0.748SS**  trans-128.497.8149.1-159.1-90.1000107.4
121N31.7Very low34.5Very low108 Ų108136.9 Ų136.958%0.57874%0.737SS**  trans53.4104140.2-150.824000118.8
122Y35.6Very low34.4Very low191 Ų191139.3 Ų139.375%0.74974%0.737SS**  -169.8137.9101.3-114.9-97.5000110.9
123D35.2Very low34.2Very low120 Ų120139.4 Ų139.464%0.64274%0.742SS**  trans83.998.5155.6-62.8-32.1000124.1
124I38.1Very low34.1Very low158 Ų158139.2 Ų139.281%0.8175%0.745SS**  96134.6126.2-60.8166.6000118.5
125P39.4Very low34Very low111 Ų111140.2 Ų140.272%0.72175%0.747SS**  trans-119.6-152.9-145.944-27.8000112.6
126P41.3Very low34Very low123 Ų123137.5 Ų137.580%0.79974%0.743SS**  cis-127.3175.1-3924.4-3.1000112.9
127G35.4Very low34.4Very low73 Ų73137.7 Ų137.775%0.75374%0.735SS**  trans164103.1153.800000120
128Y33.5Very low34.4Very low187 Ų187135.6 Ų135.673%0.73373%0.729SS**  trans73.1102.7139.2-139.1-103.2000118.9
129K37.8Very low34.5Very low134 Ų134138.1 Ų138.158%0.58373%0.734SS**  73.4138.699.4-73.8-154.6-150.9166.80113.4
130D37.5Very low34.6Very low112 Ų112136 Ų13660%0.59973%0.73SS**  cis-177.7148.521.8-93.4-14.7000106.2
131D33.7Very low34.9Very low133 Ų133132.4 Ų132.471%0.71173%0.726SS**  trans73.3121.1133.2-53.4-8.9000125.4
132V31.9Very low35Very low126 Ų126132.9 Ų132.976%0.76474%0.738SS**  91.2130.6117.1171.60000122.6
133L28.4Very low34.8Very low163 Ų163131 Ų13185%0.85374%0.741SS**  trans103.5126.2141.4-133.372.3000122.3
134V30.8Very low34.9Very low120 Ų120131.6 Ų131.673%0.72775%0.748SS**  trans-60.5143.3165.5174.90000112V136V134-V136 HydrophobicContact CG1-CG2 4.37Å
135D32.9Very low34.4Very low131 Ų131128.3 Ų128.370%0.70174%0.739SS**  trans-146.2127.5152-160.510.5000112.6N137D135-N137 PolarHBondContact OD1-ND2 3.26Å; D135-N137 PolarHBondContact OD2-ND2 3.4Å
136V32.8Very low34Very low125 Ų125132.9 Ų132.976%0.75874%0.743SS**  trans-109103.2177172.20000105.3V134V134-V136 HydrophobicContact CG1-CG2 4.37Å
137N36.5Very low33.4Very low116 Ų116133.4 Ų133.462%0.6275%0.745SS**  trans-137.4101.6177.1-85.5-37.3000112.5D135D135-N137 PolarHBondContact OD1-ND2 3.26Å; D135-N137 PolarHBondContact OD2-ND2 3.4Å
138N32.5Very low33.1Very low137 Ų137138.1 Ų138.173%0.73375%0.747SS**  43.2117.7126.5-79.8-23.1000119.9
139M36.5Very low32.9Very low192 Ų192138.7 Ų138.795%0.94675%0.753SS**  -161.9114118.2-157.276151.500110.9
140S32.8Very low32.4Very low97 Ų97137.5 Ų137.568%0.67875%0.753SS**  trans-81.9-158.7179-56.40000112.1
141P39.6Very low32.5Very low123 Ų123141.5 Ų141.580%0.79977%0.769SS**  -129.5151.5-80.136.7-19.6000112.6
142S33.6Very low32.2Very low118 Ų118145.6 Ų145.683%0.82577%0.774SS**  trans-161.5146.9154.571.50000107
143L31.6Very low32.3Very low153 Ų153143.2 Ų143.280%0.80178%0.775SS**  cis-179.4147.3-15.4-170.792000100.6
144V35.4Very low32.6Very low132 Ų132140.7 Ų140.780%0.877%0.771SS**  trans83.3130169.6-171.10000115.2
145S29.3Very low32.7Very low89 Ų89143.4 Ų143.462%0.62278%0.776SS**  cis-176.1138.2-27.4-141.90000104.3
146Y29.3Very low32.8Very low206 Ų206145.8 Ų145.881%0.80878%0.782SS**  trans64.199.1162.9-69-82.5000120Q148Y146-Q148 PolarHBondContact O-N 2.9Å
147T29.2Very low33.1Very low135 Ų135144.4 Ų144.483%0.82877%0.774SS**  trans-8.4108.8132.147.40000116.1
148Q29Very low33Very low171 Ų171148.7 Ų148.780%0.79979%0.787SS**  trans-150.9120.1143.6-161.7179.5-10.400110.8Y146 N150Y146-Q148 PolarHBondContact O-N 2.9Å; Q148-N150 PolarHBondContact O-N 3.28Å; Q148-N150 VanDerWaalsContact O-N 3.08Å
149K29.4Very low33.5Very low199 Ų199145.7 Ų145.787%0.86577%0.771SS**  trans-42.1109.1156.9-77.9168.8166.7172.70110.6
150N28.2Very low33.6Very low109 Ų109145.3 Ų145.358%0.58376%0.763SS**  trans160.9116.1149.8-96.1-27.4000110.3Q148Q148-N150 PolarHBondContact O-N 3.28Å; Q148-N150 VanDerWaalsContact O-N 3.08Å
151E38.2Very low34.3Very low197 Ų197148.8 Ų148.892%0.92177%0.769SS**  trans-178.378.2149.1-103.4-176135.300105.2
152R28.8Very low34.8Very low218 Ų218150.4 Ų150.482%0.82376%0.763SS**  50.354.566.4-83.4-171.3179.3173.11.5113.9
153G34.5Very low36.1Very low77 Ų77146.6 Ų146.679%0.79474%0.737SS**  trans-99.284.8151.200000108.9
154S32.8Very low37.6Very low109 Ų109142.6 Ų142.676%0.76272%0.72SS**SBend6351.886-162.30000114.6
155H33.4Very low39Very low178 Ų178144.6 Ų144.682%0.82471%0.714SS**  trans-152.746.5145.1-125.6-93.1000110.6V157H155-V157 PolarHBondContact O-N 3.45Å; H155-V157 VanDerWaalsContact O-N 3.09Å
156E34.9Very low40.7Very low180 Ų180142.1 Ų142.184%0.84169%0.694SS**  trans-75.498.3168.5-148.3-174.8-172.300106.9K158E156-K158 VanDerWaalsContact C-N 3.29Å; E156-K158 PolarHBondContact O-N 3.33Å
157V40.2Very low42.3Very low96 Ų96133 Ų13358%0.58266%0.661SS**  trans-56.597.2170.6168.30000106.8H155 I159H155-V157 PolarHBondContact O-N 3.45Å; H155-V157 VanDerWaalsContact O-N 3.09Å; V157-I159 HydrophobicContact CG1-CB 4.44Å; V157-I159 HydrophobicContact CG1-CD1 3.16Å; V157-I159 HydrophobicContact CG1-CG1 3.47Å; V157-I159 VanDerWaalsContact CG1-CG1 3.47Å; V157-I159 PolarHBondContact O-N 3.29Å
158K32.9Very low44.1Very low206 Ų206129.6 Ų129.690%0.89664%0.64SS**  trans-62.878.2179-77.1-178.9178.6176.50109.7E156E156-K158 VanDerWaalsContact C-N 3.29Å; E156-K158 PolarHBondContact O-N 3.33Å
159I43.4Very low45.8Very low75 Ų75125.2 Ų125.239%0.38563%0.627SS.*  trans-120.3132.2171.4-59.1176.1000105.7H90 V157H90-I159 VanDerWaalsContact CD2-CD1 3.5Å; H90-I159 WeakPolarHBondContact CD2-CD1 3.36Å; H90-I159 WeakPolarHBondContact CD2-CG2 3.45Å; H90-I159 WeakPolarHBondContact NE2-CD1 3.45Å; H90-I159 WeakPolarHBondContact NE2-CG2 3.42Å; V157-I159 HydrophobicContact CG1-CB 4.44Å; V157-I159 HydrophobicContact CG1-CD1 3.16Å; V157-I159 HydrophobicContact CG1-CG1 3.47Å; V157-I159 VanDerWaalsContact CG1-CG1 3.47Å; V157-I159 PolarHBondContact O-N 3.29Å
160K39.6Very low47.5Very low183 Ų183116.3 Ų116.380%0.79659%0.59SS**SBendtrans98.953.1173.5-52.6173-178.2174.20115.6
161H46.4Very low49.4Very low170 Ų170111.5 Ų111.579%0.78756%0.564SS**  trans-136.622.9150.6-122.4-84.2000113S163H161-S163 VanDerWaalsContact O-CA 3.25Å; H161-S163 WeakPolarHBondContact O-CA 3.21Å; H161-S163 WeakPolarHBondContact O-CB 3.46Å; H161-S163 PolarHBondContact O-N 3.1Å; H161-S163 PolarHBondContact O-OG 3.06Å
162F49.8Very low50.8Low157 Ų157105.5 Ų105.569%0.68954%0.541SS*.  trans-7650.9166.7-151.8-112.5000108.7I166F162-I166 HydrophobicContact CD1-CD1 3.25Å; F162-I166 HydrophobicContact CD2-CD1 3.74Å; F162-I166 HydrophobicContact CE1-CD1 2.96Å; F162-I166 HydrophobicContact CE1-CG1 4.38Å; F162-I166 HydrophobicContact CE2-CD1 3.46Å; F162-I166 VanDerWaalsContact CE2-CD1 3.46Å; F162-I166 HydrophobicContact CG-CD1 3.65Å; F162-I166 HydrophobicContact CZ-CD1 3.07Å
163S60.8Low52.8Low38 Ų38100.6 Ų100.627%0.26653%0.526SS..  81.4102.195.5-95.50000110.3H161 Y165 I166H161-S163 VanDerWaalsContact O-CA 3.25Å; H161-S163 WeakPolarHBondContact O-CA 3.21Å; H161-S163 WeakPolarHBondContact O-CB 3.46Å; H161-S163 PolarHBondContact O-N 3.1Å; H161-S163 PolarHBondContact O-OG 3.06Å; S163-Y165 PolarHBondContact O-N 2.9Å; S163-Y165 WeakPolarHBondContact OG-CD2 3.2Å; S163-I166 PolarHBondContact O-N 2.85Å
164P63Low54.4Low70 Ų7097.5 Ų97.546%0.45549%0.492SS..Hα-helixtrans-51.5-19.8174.822.2-33.9000112.6I166 A167 V168P164-I166 VanDerWaalsContact C-N 3.27Å; P164-I166 PolarHBondContact O-N 3.22Å; P164-A167 CarbonylContact O-C 3.56Å; P164-A167 WeakPolarHBondContact O-CA 3.49Å; P164-A167 VanDerWaalsContact O-CB 3.27Å; P164-A167 WeakPolarHBondContact O-CB 3.25Å; P164-A167 PolarHBondContact O-N 3.45Å; P164-V168 VanDerWaalsContact O-CG2 3.3Å; P164-V168 WeakPolarHBondContact O-CG2 3.47Å; P164-V168 PolarHBondContact O-N 3.4Å
165Y64.9Low56.2Low173 Ų17394.8 Ų94.868%0.67847%0.469SS*.Hα-helixtrans-51-37.6169.5-56.3-63.7000114.9S163 V168 C169S163-Y165 PolarHBondContact O-N 2.9Å; S163-Y165 WeakPolarHBondContact OG-CD2 3.2Å; Y165-V168 PolarHBondContact O-N 3.28Å; Y165-C169 WeakPolarHBondContact O-CB 3.48Å; Y165-C169 PolarHBondContact O-N 2.8Å
166I66.3Low58.1Low38 Ų3888.1 Ų88.120%0.19544%0.444CS..Hα-helixtrans-73-45.4179.2-65.8174.1000109.2A85 V86 F162 S163 P164 V168 C169 V170A85-I166 HydrophobicContact CB-CG2 4.04Å; V86-I166 HydrophobicContact CG2-CG2 4.15Å; F162-I166 HydrophobicContact CD1-CD1 3.25Å; F162-I166 HydrophobicContact CD2-CD1 3.74Å; F162-I166 HydrophobicContact CE1-CD1 2.96Å; F162-I166 HydrophobicContact CE1-CG1 4.38Å; F162-I166 HydrophobicContact CE2-CD1 3.46Å; F162-I166 VanDerWaalsContact CE2-CD1 3.46Å; F162-I166 HydrophobicContact CG-CD1 3.65Å; F162-I166 HydrophobicContact CZ-CD1 3.07Å; S163-I166 PolarHBondContact O-N 2.85Å; P164-I166 VanDerWaalsContact C-N 3.27Å; P164-I166 PolarHBondContact O-N 3.22Å; I166-V168 PolarHBondContact O-N 3.4Å; I166-C169 PolarHBondContact O-N 2.91Å; I166-C169 VanDerWaalsContact O-N 3.17Å; I166-V170 HydrophobicContact CG2-CG2 4.11Å; I166-V170 WeakPolarHBondContact O-CB 3.27Å; I166-V170 WeakPolarHBondContact O-CG2 3.36Å; I166-V170 PolarHBondContact O-N 2.84Å
167A63.5Low59.9Low14 Ų1481.4 Ų81.412%0.11641%0.412CS..Hα-helixtrans-54.6-39.6172.200000112R81 P164 T171R81-A167 PolarHBondContact NH2-O 3.08Å; R81-A167 VanDerWaalsContact NH2-O 3.09Å; P164-A167 CarbonylContact O-C 3.56Å; P164-A167 WeakPolarHBondContact O-CA 3.49Å; P164-A167 VanDerWaalsContact O-CB 3.27Å; P164-A167 WeakPolarHBondContact O-CB 3.25Å; P164-A167 PolarHBondContact O-N 3.45Å; A167-T171 VanDerWaalsContact O-CG2 3.25Å; A167-T171 WeakPolarHBondContact O-CG2 3.46Å; A167-T171 PolarHBondContact O-N 2.89Å; A167-T171 PolarHBondContact O-OG1 3.03Å; A167-T171 VanDerWaalsContact O-OG1 3.1Å
168V65.4Low61.4Low64 Ų6477.2 Ų77.239%0.38839%0.387SS..Hα-helixtrans-70.6-48.4175.11720000111.1P164 Y165 I166 V170 T171 T172P164-V168 VanDerWaalsContact O-CG2 3.3Å; P164-V168 WeakPolarHBondContact O-CG2 3.47Å; P164-V168 PolarHBondContact O-N 3.4Å; Y165-V168 PolarHBondContact O-N 3.28Å; I166-V168 PolarHBondContact O-N 3.4Å; V168-V170 VanDerWaalsContact C-N 3.32Å; V168-V170 PolarHBondContact O-N 3.4Å; V168-T171 VanDerWaalsContact CA-OG1 3.31Å; V168-T171 WeakPolarHBondContact CA-OG1 3.34Å; V168-T171 CarbonylContact O-C 3.59Å; V168-T171 PolarHBondContact O-N 2.93Å; V168-T171 VanDerWaalsContact O-N 3.1Å; V168-T171 PolarHBondContact O-OG1 3.04Å; V168-T172 HydrophobicContact CG1-CG2 4.19Å; V168-T172 WeakPolarHBondContact O-CG2 3.14Å; V168-T172 PolarHBondContact O-N 2.72Å; V168-T172 PolarHBondContact O-OG1 2.88Å
169C65.5Low63.3Low79 Ų7970.2 Ų70.253%0.53436%0.364SS..Hα-helixtrans-58.1-43.9179.1-175.90000112.2Y165 I166 T171 T172 F173Y165-C169 WeakPolarHBondContact O-CB 3.48Å; Y165-C169 PolarHBondContact O-N 2.8Å; I166-C169 PolarHBondContact O-N 2.91Å; I166-C169 VanDerWaalsContact O-N 3.17Å; C169-T171 PolarHBondContact O-N 3.22Å; C169-T172 WeakPolarHBondContact CA-OG1 3.28Å; C169-T172 PolarHBondContact O-N 3.13Å; C169-T172 PolarHBondContact O-OG1 3.17Å; C169-F173 WeakPolarHBondContact O-CB 3.47Å; C169-F173 PolarHBondContact O-N 3.32Å
170V65.4Low64.8Low12 Ų1271.3 Ų71.37%0.07337%0.366CS..Hα-helixtrans-60.3-45.5175165.60000110.6V83 P84 A85 I166 V168 S174V83-V170 HydrophobicContact CB-CG1 3.4Å; V83-V170 HydrophobicContact CG1-CB 4.24Å; V83-V170 HydrophobicContact CG1-CG1 3.16Å; V83-V170 HydrophobicContact CG2-CG1 4.37Å; P84-V170 WeakPolarHBondContact O-CG2 3.45Å; A85-V170 HydrophobicContact CB-CG2 3.72Å; I166-V170 HydrophobicContact CG2-CG2 4.11Å; I166-V170 WeakPolarHBondContact O-CB 3.27Å; I166-V170 WeakPolarHBondContact O-CG2 3.36Å; I166-V170 PolarHBondContact O-N 2.84Å; V168-V170 VanDerWaalsContact C-N 3.32Å; V168-V170 PolarHBondContact O-N 3.4Å; V170-S174 PolarHBondContact O-N 3.46Å; V170-S174 VanDerWaalsContact O-N 3.09Å; V170-S174 PolarHBondContact O-OG 2.87Å
171T67.9Low66.3Low7 Ų764 Ų644%0.04334%0.335CS..Hα-helixtrans-69.4-36.8176.652.10000113.3F42 L46 A167 V168 C169 S174 L175F42-T171 HydrophobicContact CD1-CG2 3.68Å; F42-T171 HydrophobicContact CE1-CG2 3.61Å; L46-T171 HydrophobicContact CD1-CG2 4.11Å; A167-T171 VanDerWaalsContact O-CG2 3.25Å; A167-T171 WeakPolarHBondContact O-CG2 3.46Å; A167-T171 PolarHBondContact O-N 2.89Å; A167-T171 PolarHBondContact O-OG1 3.03Å; A167-T171 VanDerWaalsContact O-OG1 3.1Å; V168-T171 VanDerWaalsContact CA-OG1 3.31Å; V168-T171 WeakPolarHBondContact CA-OG1 3.34Å; V168-T171 CarbonylContact O-C 3.59Å; V168-T171 PolarHBondContact O-N 2.93Å; V168-T171 VanDerWaalsContact O-N 3.1Å; V168-T171 PolarHBondContact O-OG1 3.04Å; C169-T171 PolarHBondContact O-N 3.22Å; T171-S174 WeakPolarHBondContact O-CB 3.28Å; T171-S174 PolarHBondContact O-N 2.93Å; T171-L175 WeakPolarHBondContact O-CB 3.37Å; T171-L175 PolarHBondContact O-N 3.39Å
172T68Low67.8Low72 Ų7256.8 Ų56.844%0.44230%0.303SS..Hα-helixtrans-69.7-38178.654.10000111.4V168 C169 L175 A176V168-T172 HydrophobicContact CG1-CG2 4.19Å; V168-T172 WeakPolarHBondContact O-CG2 3.14Å; V168-T172 PolarHBondContact O-N 2.72Å; V168-T172 PolarHBondContact O-OG1 2.88Å; C169-T172 WeakPolarHBondContact CA-OG1 3.28Å; C169-T172 PolarHBondContact O-N 3.13Å; C169-T172 PolarHBondContact O-OG1 3.17Å; T172-L175 PolarHBondContact O-N 2.91Å; T172-A176 WeakPolarHBondContact O-CB 3.25Å; T172-A176 PolarHBondContact O-N 2.97Å
173F69.3Low69.2Low115 Ų11553.8 Ų53.850%0.50429%0.291SS..Hα-helixtrans-63-43.2173.4-170.1-123.9000111.7C169 L175 A176 F177C169-F173 WeakPolarHBondContact O-CB 3.47Å; C169-F173 PolarHBondContact O-N 3.32Å; F173-L175 VanDerWaalsContact C-N 3.29Å; F173-L175 PolarHBondContact O-N 2.76Å; F173-A176 WeakPolarHBondContact O-CB 3.3Å; F173-A176 PolarHBondContact O-N 3.34Å; F173-F177 HydrophobicContact CD1-CD2 4.05Å; F173-F177 AromaticContact CD1-CE2 3.17Å; F173-F177 HydrophobicContact CD1-CE2 3.17Å; F173-F177 AromaticContact CD1-CZ 3.58Å; F173-F177 HydrophobicContact CD1-CZ 3.58Å; F173-F177 HydrophobicContact CD2-CE1 4.25Å; F173-F177 HydrophobicContact CD2-CE2 4.12Å; F173-F177 AromaticContact CD2-CZ 3.87Å; F173-F177 HydrophobicContact CD2-CZ 3.87Å; F173-F177 HydrophobicContact CE1-CD2 4.28Å; F173-F177 HydrophobicContact CE1-CE1 4.22Å; F173-F177 AromaticContact CE1-CE2 3.05Å; F173-F177 HydrophobicContact CE1-CE2 3.05Å; F173-F177 AromaticContact CE1-CZ 3.05Å; F173-F177 HydrophobicContact CE1-CZ 3.05Å; F173-F177 AromaticContact CE2-CE1 3.78Å; F173-F177 HydrophobicContact CE2-CE1 3.78Å; F173-F177 HydrophobicContact CE2-CE2 4.01Å; F173-F177 AromaticContact CE2-CZ 3.36Å; F173-F177 HydrophobicContact CE2-CZ 3.36Å; F173-F177 HydrophobicContact CG-CD2 4.38Å; F173-F177 AromaticContact CG-CE2 3.76Å; F173-F177 HydrophobicContact CG-CE2 3.76Å; F173-F177 AromaticContact CG-CZ 3.99Å; F173-F177 HydrophobicContact CG-CZ 3.99Å; F173-F177 AromaticContact CZ-CE1 3.82Å; F173-F177 HydrophobicContact CZ-CE1 3.82Å; F173-F177 AromaticContact CZ-CE2 3.54Å; F173-F177 HydrophobicContact CZ-CE2 3.54Å; F173-F177 AromaticContact CZ-CZ 2.95Å; F173-F177 HydrophobicContact CZ-CZ 2.95Å; F173-F177 WeakPolarHBondContact O-CD2 3.39Å; F173-F177 VanDerWaalsContact O-CG 3.3Å; F173-F177 WeakPolarHBondContact O-CG 3.45Å; F173-F177 PolarHBondContact O-N 3.33Å
174S69.9Low69.7Low11 Ų1152 Ų528%0.07728%0.278CS..Hα-helixtrans-59.8-39.9173.4-56.80000112.4Q39 V83 V170 T171 F177 C178Q39-S174 PolarHBondContact NE2-O 3.17Å; Q39-S174 PolarHBondContact OE1-O 3.14Å; V83-S174 WeakPolarHBondContact CG1-OG 3.46Å; V83-S174 WeakPolarHBondContact CG2-OG 3.44Å; V170-S174 PolarHBondContact O-N 3.46Å; V170-S174 VanDerWaalsContact O-N 3.09Å; V170-S174 PolarHBondContact O-OG 2.87Å; T171-S174 WeakPolarHBondContact O-CB 3.28Å; T171-S174 PolarHBondContact O-N 2.93Å; S174-F177 PolarHBondContact O-N 3.43Å; S174-C178 PolarHBondContact O-N 3.5Å; S174-C178 VanDerWaalsContact O-N 3.09Å; S174-C178 PolarHBondContact O-SG 3.48Å; S174-C178 VanDerWaalsContact O-SG 3.4Å
175L69.3Low70.1Confident52 Ų5248.7 Ų48.727%0.27226%0.257SS..Hα-helixtrans-67.9-44.7178.9-179.369.2000110.6I36 I43 T171 T172 F173 F177 C178 C179I36-L175 HydrophobicContact CG2-CD1 4.23Å; I43-L175 HydrophobicContact CD1-CD2 4.32Å; T171-L175 WeakPolarHBondContact O-CB 3.37Å; T171-L175 PolarHBondContact O-N 3.39Å; T172-L175 PolarHBondContact O-N 2.91Å; F173-L175 VanDerWaalsContact C-N 3.29Å; F173-L175 PolarHBondContact O-N 2.76Å; L175-F177 PolarHBondContact O-N 2.96Å; L175-C178 PolarHBondContact O-N 3.37Å; L175-C179 WeakPolarHBondContact O-CB 3.23Å; L175-C179 PolarHBondContact O-N 3.06Å; L175-C179 PolarHBondContact O-SG 2.61Å
176A73.4Confident70.7Confident38 Ų3845.2 Ų45.231%0.31425%0.249SC..Hα-helixtrans-55.1-44.8175.400000110.5T172 F173 C179 F180T172-A176 WeakPolarHBondContact O-CB 3.25Å; T172-A176 PolarHBondContact O-N 2.97Å; F173-A176 WeakPolarHBondContact O-CB 3.3Å; F173-A176 PolarHBondContact O-N 3.34Å; A176-C179 PolarHBondContact O-N 3.22Å; A176-F180 HydrophobicContact CB-CD2 4.4Å; A176-F180 HydrophobicContact CB-CE2 4.23Å; A176-F180 WeakPolarHBondContact O-CB 3.02Å; A176-F180 WeakPolarHBondContact O-CD2 3.32Å; A176-F180 WeakPolarHBondContact O-CG 3.42Å; A176-F180 PolarHBondContact O-N 3.23Å
177F72.5Confident71.1Confident39 Ų3945.6 Ų45.617%0.17125%0.253CS..Hα-helixtrans-62.7-43.3176.8-63.5-38.1000114F173 S174 L175 F180 M181 I199F173-F177 HydrophobicContact CD1-CD2 4.05Å; F173-F177 AromaticContact CD1-CE2 3.17Å; F173-F177 HydrophobicContact CD1-CE2 3.17Å; F173-F177 AromaticContact CD1-CZ 3.58Å; F173-F177 HydrophobicContact CD1-CZ 3.58Å; F173-F177 HydrophobicContact CD2-CE1 4.25Å; F173-F177 HydrophobicContact CD2-CE2 4.12Å; F173-F177 AromaticContact CD2-CZ 3.87Å; F173-F177 HydrophobicContact CD2-CZ 3.87Å; F173-F177 HydrophobicContact CE1-CD2 4.28Å; F173-F177 HydrophobicContact CE1-CE1 4.22Å; F173-F177 AromaticContact CE1-CE2 3.05Å; F173-F177 HydrophobicContact CE1-CE2 3.05Å; F173-F177 AromaticContact CE1-CZ 3.05Å; F173-F177 HydrophobicContact CE1-CZ 3.05Å; F173-F177 AromaticContact CE2-CE1 3.78Å; F173-F177 HydrophobicContact CE2-CE1 3.78Å; F173-F177 HydrophobicContact CE2-CE2 4.01Å; F173-F177 AromaticContact CE2-CZ 3.36Å; F173-F177 HydrophobicContact CE2-CZ 3.36Å; F173-F177 HydrophobicContact CG-CD2 4.38Å; F173-F177 AromaticContact CG-CE2 3.76Å; F173-F177 HydrophobicContact CG-CE2 3.76Å; F173-F177 AromaticContact CG-CZ 3.99Å; F173-F177 HydrophobicContact CG-CZ 3.99Å; F173-F177 AromaticContact CZ-CE1 3.82Å; F173-F177 HydrophobicContact CZ-CE1 3.82Å; F173-F177 AromaticContact CZ-CE2 3.54Å; F173-F177 HydrophobicContact CZ-CE2 3.54Å; F173-F177 AromaticContact CZ-CZ 2.95Å; F173-F177 HydrophobicContact CZ-CZ 2.95Å; F173-F177 WeakPolarHBondContact O-CD2 3.39Å; F173-F177 VanDerWaalsContact O-CG 3.3Å; F173-F177 WeakPolarHBondContact O-CG 3.45Å; F173-F177 PolarHBondContact O-N 3.33Å; S174-F177 PolarHBondContact O-N 3.43Å; L175-F177 PolarHBondContact O-N 2.96Å; F177-F180 PolarHBondContact O-N 3.09Å; F177-M181 WeakPolarHBondContact O-CG 3.31Å; F177-M181 PolarHBondContact O-N 3.04Å; F177-I199 HydrophobicContact CD1-CG2 3.56Å; F177-I199 HydrophobicContact CD2-CG2 4.36Å; F177-I199 HydrophobicContact CE1-CB 4.35Å; F177-I199 HydrophobicContact CE1-CD1 4.08Å; F177-I199 HydrophobicContact CE1-CG2 3.1Å; F177-I199 HydrophobicContact CE2-CG2 3.9Å; F177-I199 HydrophobicContact CG-CG2 4.15Å; F177-I199 HydrophobicContact CZ-CG2 3.19Å
178C71.5Confident71.3Confident8 Ų851.5 Ų51.55%0.05428%0.276CS..Hα-helixtrans-66.2-41.5177-64.50000111.9Q35 I36 Q39 S174 L175 F180 M181 V182Q35-C178 HydrophobicContact CB-CB 4.5Å; I36-C178 HydrophobicContact CD1-CB 4.34Å; I36-C178 HydrophobicContact CG1-CB 3.6Å; Q39-C178 PolarHBondContact NE2-SG 2.98Å; S174-C178 PolarHBondContact O-N 3.5Å; S174-C178 VanDerWaalsContact O-N 3.09Å; S174-C178 PolarHBondContact O-SG 3.48Å; S174-C178 VanDerWaalsContact O-SG 3.4Å; L175-C178 PolarHBondContact O-N 3.37Å; C178-F180 VanDerWaalsContact C-N 3.34Å; C178-F180 PolarHBondContact O-N 3.43Å; C178-M181 PolarHBondContact O-N 2.9Å; C178-V182 WeakPolarHBondContact O-CG2 3.42Å; C178-V182 PolarHBondContact O-N 3.46Å
179C73.7Confident71.4Confident59 Ų5952.4 Ų52.440%0.39928%0.276SS..Hα-helixtrans-59.8-44.1173.9-71.40000111.6L175 A176 V182 H183L175-C179 WeakPolarHBondContact O-CB 3.23Å; L175-C179 PolarHBondContact O-N 3.06Å; L175-C179 PolarHBondContact O-SG 2.61Å; A176-C179 PolarHBondContact O-N 3.22Å; C179-V182 PolarHBondContact O-N 3.47Å; C179-H183 VanDerWaalsContact O-CB 3.25Å; C179-H183 WeakPolarHBondContact O-CB 3.34Å; C179-H183 PolarHBondContact O-N 3.37Å
180F74.7Confident71.3Confident99 Ų9949 Ų4943%0.43425%0.253SS..Hα-helixtrans-65-40.2176.8-81.3-48.8000113.1A176 F177 C178 H183 G184 F196A176-F180 HydrophobicContact CB-CD2 4.4Å; A176-F180 HydrophobicContact CB-CE2 4.23Å; A176-F180 WeakPolarHBondContact O-CB 3.02Å; A176-F180 WeakPolarHBondContact O-CD2 3.32Å; A176-F180 WeakPolarHBondContact O-CG 3.42Å; A176-F180 PolarHBondContact O-N 3.23Å; F177-F180 PolarHBondContact O-N 3.09Å; C178-F180 VanDerWaalsContact C-N 3.34Å; C178-F180 PolarHBondContact O-N 3.43Å; F180-H183 PolarHBondContact O-N 2.84Å; F180-G184 PolarHBondContact O-N 3.33Å; F180-F196 HydrophobicContact CB-CD1 3.69Å; F180-F196 HydrophobicContact CB-CD2 4.47Å; F180-F196 HydrophobicContact CB-CE1 3.29Å; F180-F196 HydrophobicContact CB-CE2 4.12Å; F180-F196 HydrophobicContact CB-CG 4.31Å; F180-F196 HydrophobicContact CB-CZ 3.54Å; F180-F196 AromaticContact CD1-CE1 3.66Å; F180-F196 HydrophobicContact CD1-CE1 3.66Å; F180-F196 AromaticContact CD1-CZ 3.51Å; F180-F196 HydrophobicContact CD1-CZ 3.51Å; F180-F196 AromaticContact CD2-CE1 3.96Å; F180-F196 HydrophobicContact CD2-CE1 3.96Å; F180-F196 HydrophobicContact CE1-CE1 4.48Å; F180-F196 HydrophobicContact CE1-CZ 4.41Å; F180-F196 HydrophobicContact CG-CD1 4.18Å; F180-F196 AromaticContact CG-CE1 3.36Å; F180-F196 HydrophobicContact CG-CE1 3.36Å; F180-F196 AromaticContact CG-CZ 3.66Å; F180-F196 HydrophobicContact CG-CZ 3.66Å
181M71.3Confident71.5Confident28 Ų2853 Ų5314%0.13828%0.278CS..Hα-helixtrans-60.7-46.9173.6-75.3-157.8-57.500111.6F31 F177 C178 G184 A185 V261F31-M181 HydrophobicContact CD1-CE 4.25Å; F31-M181 HydrophobicContact CE1-CE 4.01Å; F177-M181 WeakPolarHBondContact O-CG 3.31Å; F177-M181 PolarHBondContact O-N 3.04Å; C178-M181 PolarHBondContact O-N 2.9Å; M181-G184 PolarHBondContact O-N 2.82Å; M181-A185 PolarHBondContact O-N 3.39Å; M181-V261 HydrophobicContact SD-CG2 4.49Å
182V77.5Confident71.5Confident20 Ų2056.9 Ų56.912%0.12130%0.295CS..Hα-helixtrans-63.4-43.9177.6174.30000110.3I36 C178 C179 G184 A185 I186I36-V182 HydrophobicContact CD1-CG2 3.86Å; C178-V182 WeakPolarHBondContact O-CG2 3.42Å; C178-V182 PolarHBondContact O-N 3.46Å; C179-V182 PolarHBondContact O-N 3.47Å; V182-G184 PolarHBondContact O-N 2.87Å; V182-A185 PolarHBondContact O-N 3.3Å; V182-I186 HydrophobicContact CG1-CD1 3.65Å; V182-I186 HydrophobicContact CG1-CG1 4.42Å; V182-I186 VanDerWaalsContact O-CG1 3.25Å; V182-I186 WeakPolarHBondContact O-CG1 3.47Å; V182-I186 PolarHBondContact O-N 2.7Å
183H78.9Confident71.5Confident94 Ų9453.9 Ų53.944%0.43528%0.276SS..Hα-helixtrans-61-43175.6-178.2-96.2000112.1C179 F180 A185 I186 T187C179-H183 VanDerWaalsContact O-CB 3.25Å; C179-H183 WeakPolarHBondContact O-CB 3.34Å; C179-H183 PolarHBondContact O-N 3.37Å; F180-H183 PolarHBondContact O-N 2.84Å; H183-A185 VanDerWaalsContact C-N 3.35Å; H183-A185 PolarHBondContact O-N 2.83Å; H183-I186 PolarHBondContact O-N 2.83Å; H183-T187 WeakPolarHBondContact CE1-CG2 3.4Å; H183-T187 WeakPolarHBondContact NE2-CG2 3.34Å; H183-T187 WeakPolarHBondContact O-CB 2.95Å; H183-T187 WeakPolarHBondContact O-CG2 2.97Å; H183-T187 PolarHBondContact O-N 3.02Å; H183-T187 PolarHBondContact O-OG1 2.84Å
184G71.6Confident71.5Confident0 Ų052.2 Ų52.20%027%0.272CS..Hα-helixtrans-62.3-39.517500000112.8F180 M181 V182F180-G184 PolarHBondContact O-N 3.33Å; M181-G184 PolarHBondContact O-N 2.82Å; V182-G184 PolarHBondContact O-N 2.87Å
185A71.4Confident71.6Confident1 Ų154.4 Ų54.41%0.00829%0.286CS..Hα-helixtrans-68.8-32.4175.600000112.7R25 I29 M181 V182 H183R25-A185 VanDerWaalsContact CZ-O 3.29Å; R25-A185 PolarHBondContact NE-O 3.32Å; R25-A185 PolarHBondContact NH2-O 3.39Å; I29-A185 HydrophobicContact CD1-CB 4.46Å; I29-A185 HydrophobicContact CG1-CB 3.73Å; M181-A185 PolarHBondContact O-N 3.39Å; V182-A185 PolarHBondContact O-N 3.3Å; H183-A185 VanDerWaalsContact C-N 3.35Å; H183-A185 PolarHBondContact O-N 2.83Å
186I78.3Confident71.7Confident100 Ų10053 Ų5351%0.51328%0.278SS..Hα-helixtrans-79.5-44.4178.8-65.8167000111.3R25 V182 H183 K188R25-I186 PolarHBondContact NH2-O 3.32Å; V182-I186 HydrophobicContact CG1-CD1 3.65Å; V182-I186 HydrophobicContact CG1-CG1 4.42Å; V182-I186 VanDerWaalsContact O-CG1 3.25Å; V182-I186 WeakPolarHBondContact O-CG1 3.47Å; V182-I186 PolarHBondContact O-N 2.7Å; H183-I186 PolarHBondContact O-N 2.83Å; I186-K188 PolarHBondContact O-N 2.82Å
187T75.2Confident71.7Confident45 Ų4552.6 Ų52.628%0.27627%0.269SS..SBendtrans-70.6-3.7-168.848.30000115.9H183 Q189H183-T187 WeakPolarHBondContact CE1-CG2 3.4Å; H183-T187 WeakPolarHBondContact NE2-CG2 3.34Å; H183-T187 WeakPolarHBondContact O-CB 2.95Å; H183-T187 WeakPolarHBondContact O-CG2 2.97Å; H183-T187 PolarHBondContact O-N 3.02Å; H183-T187 PolarHBondContact O-OG1 2.84Å; T187-Q189 WeakPolarHBondContact O-CG 3.38Å; T187-Q189 PolarHBondContact O-N 2.74Å
188K67Low71.7Confident139 Ų13956.4 Ų56.460%0.60429%0.286SS*.  trans55.812.3179.4-60.1-176.3-175.5175.90114.1I186 P190I186-K188 PolarHBondContact O-N 2.82Å; K188-P190 WeakPolarHBondContact O-CD 3.31Å
189Q66.9Low71.6Confident82 Ų8258.9 Ų58.938%0.38330%0.298SS..  trans-103.7106.1-179.3-68.3-167.214.400109.9T187 T191 H192T187-Q189 WeakPolarHBondContact O-CG 3.38Å; T187-Q189 PolarHBondContact O-N 2.74Å; Q189-T191 PolarHBondContact O-N 2.6Å; Q189-T191 VanDerWaalsContact O-N 3.16Å; Q189-H192 PolarHBondContact O-N 2.67Å; Q189-H192 PolarHBondContact OE1-CD2 3.3Å
190P65Low71.6Confident8 Ų857.4 Ų57.45%0.05229%0.285CS..Hα-helixtrans-62.9-24.4-179.626.1-34.1000112.2K188 H192 L193 Y265 L268K188-P190 WeakPolarHBondContact O-CD 3.31Å; P190-H192 VanDerWaalsContact C-N 3.27Å; P190-H192 PolarHBondContact O-N 2.8Å; P190-L193 PolarHBondContact O-N 3.4Å; P190-L193 VanDerWaalsContact O-N 3.12Å; P190-Y265 HydrophobicContact CB-CD2 3.98Å; P190-Y265 HydrophobicContact CB-CE2 3.86Å; P190-Y265 VanDerWaalsContact O-CE2 3.31Å; P190-Y265 WeakPolarHBondContact O-CE2 3.35Å; P190-L268 HydrophobicContact CB-CB 4.33Å
191T68.5Low71.6Confident97 Ų9754.7 Ų54.760%0.59528%0.277SS*.Hα-helixtrans-64.2-30.1-178.9-420000112.9Q189Q189-T191 PolarHBondContact O-N 2.6Å; Q189-T191 VanDerWaalsContact O-N 3.16Å
192H68.5Low71.9Confident88 Ų8859.2 Ų59.241%0.40730%0.296SS..Hα-helixtrans-79.7-23.5175.9-79.8-81.3000112.8Q189 P190 L194 P195 F196Q189-H192 PolarHBondContact O-N 2.67Å; Q189-H192 PolarHBondContact OE1-CD2 3.3Å; P190-H192 VanDerWaalsContact C-N 3.27Å; P190-H192 PolarHBondContact O-N 2.8Å; H192-L194 VanDerWaalsContact C-N 3.29Å; H192-L194 PolarHBondContact O-N 3.46Å; H192-P195 WeakPolarHBondContact O-CD 3.31Å; H192-P195 WeakPolarHBondContact O-CG 3.45Å; H192-F196 HydrophobicContact CB-CE2 4.11Å; H192-F196 WeakPolarHBondContact O-CD2 3.48Å; H192-F196 WeakPolarHBondContact O-CE2 3.12Å
193L67.8Low71.6Confident8 Ų859.7 Ų59.74%0.04230%0.298CS..Hα-helixtrans-70.5-23.8179.5-76.6167.8000113.4P190 F196 F197 V261 Y265 L268P190-L193 PolarHBondContact O-N 3.4Å; P190-L193 VanDerWaalsContact O-N 3.12Å; L193-F196 PolarHBondContact O-N 3.3Å; L193-F197 PolarHBondContact O-N 2.74Å; L193-V261 HydrophobicContact CD2-CG1 4.41Å; L193-Y265 HydrophobicContact CB-CD2 3.96Å; L193-Y265 HydrophobicContact CD1-CD2 4.45Å; L193-L268 HydrophobicContact CD1-CD1 3.68Å
194L69.8Low71.3Confident80 Ų8057.2 Ų57.242%0.41929%0.287SS..Hα-helixtrans-64.8-52.9-176.4-172.9144.1000113.9H192 F196 F197 F198H192-L194 VanDerWaalsContact C-N 3.29Å; H192-L194 PolarHBondContact O-N 3.46Å; L194-F196 PolarHBondContact O-N 2.93Å; L194-F197 WeakPolarHBondContact O-CB 3.04Å; L194-F197 PolarHBondContact O-N 3.28Å; L194-F197 VanDerWaalsContact O-N 3.17Å; L194-F198 HydrophobicContact CD2-CD2 3.86Å; L194-F198 HydrophobicContact CD2-CE2 3.56Å; L194-F198 HydrophobicContact CG-CD2 4.27Å; L194-F198 HydrophobicContact CG-CE2 3.86Å; L194-F198 VanDerWaalsContact O-CD2 3.22Å; L194-F198 WeakPolarHBondContact O-CD2 3.43Å; L194-F198 PolarHBondContact O-N 3.49Å
195P71.1Confident71.6Confident58 Ų5861.1 Ų61.138%0.37731%0.308SS..Hα-helixtrans-61.1-31.6174.423.4-34.2000112.5H192 F198 I199H192-P195 WeakPolarHBondContact O-CD 3.31Å; H192-P195 WeakPolarHBondContact O-CG 3.45Å; P195-F198 PolarHBondContact O-N 2.91Å; P195-I199 WeakPolarHBondContact O-CB 3.48Å; P195-I199 WeakPolarHBondContact O-CD1 3.49Å; P195-I199 VanDerWaalsContact O-CG1 3.24Å; P195-I199 WeakPolarHBondContact O-CG1 3.36Å; P195-I199 PolarHBondContact O-N 3.03Å; P195-I199 VanDerWaalsContact O-N 3.11Å
196F71.6Confident71.5Confident23 Ų2362.8 Ų62.810%0.10132%0.316CS..Hα-helixtrans-68.5-37.1176-55.7-41.7000112.6F180 H192 L193 L194 I199 Q200F180-F196 HydrophobicContact CB-CD1 3.69Å; F180-F196 HydrophobicContact CB-CD2 4.47Å; F180-F196 HydrophobicContact CB-CE1 3.29Å; F180-F196 HydrophobicContact CB-CE2 4.12Å; F180-F196 HydrophobicContact CB-CG 4.31Å; F180-F196 HydrophobicContact CB-CZ 3.54Å; F180-F196 AromaticContact CD1-CE1 3.66Å; F180-F196 HydrophobicContact CD1-CE1 3.66Å; F180-F196 AromaticContact CD1-CZ 3.51Å; F180-F196 HydrophobicContact CD1-CZ 3.51Å; F180-F196 AromaticContact CD2-CE1 3.96Å; F180-F196 HydrophobicContact CD2-CE1 3.96Å; F180-F196 HydrophobicContact CE1-CE1 4.48Å; F180-F196 HydrophobicContact CE1-CZ 4.41Å; F180-F196 HydrophobicContact CG-CD1 4.18Å; F180-F196 AromaticContact CG-CE1 3.36Å; F180-F196 HydrophobicContact CG-CE1 3.36Å; F180-F196 AromaticContact CG-CZ 3.66Å; F180-F196 HydrophobicContact CG-CZ 3.66Å; H192-F196 HydrophobicContact CB-CE2 4.11Å; H192-F196 WeakPolarHBondContact O-CD2 3.48Å; H192-F196 WeakPolarHBondContact O-CE2 3.12Å; L193-F196 PolarHBondContact O-N 3.3Å; L194-F196 PolarHBondContact O-N 2.93Å; F196-I199 PolarHBondContact O-N 3.47Å; F196-Q200 WeakPolarHBondContact O-CB 3.49Å; F196-Q200 PolarHBondContact O-N 3.25Å
197F73.5Confident71Confident28 Ų2858.1 Ų58.112%0.12329%0.292CS..Hα-helixtrans-60.7-48.7173.7175.8-100.5000111.5L193 L194 I199 Q200 V201 L258 W262L193-F197 PolarHBondContact O-N 2.74Å; L194-F197 WeakPolarHBondContact O-CB 3.04Å; L194-F197 PolarHBondContact O-N 3.28Å; L194-F197 VanDerWaalsContact O-N 3.17Å; F197-I199 VanDerWaalsContact C-N 3.29Å; F197-I199 PolarHBondContact O-N 3.21Å; F197-Q200 PolarHBondContact O-N 3.46Å; F197-V201 HydrophobicContact CD1-CG2 4.29Å; F197-V201 HydrophobicContact CD2-CG2 4.44Å; F197-V201 HydrophobicContact CE1-CG2 3.89Å; F197-V201 HydrophobicContact CE2-CG2 4.06Å; F197-V201 HydrophobicContact CZ-CG2 3.76Å; F197-V201 WeakPolarHBondContact O-CG2 3.31Å; F197-V201 PolarHBondContact O-N 3.46Å; F197-L258 HydrophobicContact CD2-CD2 4.05Å; F197-L258 HydrophobicContact CE2-CD2 4.09Å; F197-W262 HydrophobicContact CD1-CZ3 4.39Å; F197-W262 AromaticContact CD2-CE3 3.99Å; F197-W262 HydrophobicContact CD2-CE3 3.99Å; F197-W262 HydrophobicContact CE1-CE3 4.3Å; F197-W262 HydrophobicContact CE1-CZ3 4.12Å; F197-W262 AromaticContact CE2-CE3 3.7Å; F197-W262 HydrophobicContact CE2-CE3 3.7Å; F197-W262 HydrophobicContact CE2-CZ3 4.33Å; F197-W262 HydrophobicContact CG-CE3 4.41Å; F197-W262 AromaticContact CZ-CE3 3.87Å; F197-W262 HydrophobicContact CZ-CE3 3.87Å; F197-W262 HydrophobicContact CZ-CZ3 4.08Å
198F72.8Confident71Confident119 Ų11960.2 Ų60.252%0.52230%0.301SS..Hα-helixtrans-61.4-39.3179.2-77.2-69.9000112.6L194 P195 V201 F202L194-F198 HydrophobicContact CD2-CD2 3.86Å; L194-F198 HydrophobicContact CD2-CE2 3.56Å; L194-F198 HydrophobicContact CG-CD2 4.27Å; L194-F198 HydrophobicContact CG-CE2 3.86Å; L194-F198 VanDerWaalsContact O-CD2 3.22Å; L194-F198 WeakPolarHBondContact O-CD2 3.43Å; L194-F198 PolarHBondContact O-N 3.49Å; P195-F198 PolarHBondContact O-N 2.91Å; F198-V201 PolarHBondContact O-N 3.19Å; F198-F202 WeakPolarHBondContact O-CB 3.18Å; F198-F202 PolarHBondContact O-N 3.23Å
199I69.3Low71.4Confident60 Ų6058.2 Ų58.231%0.30830%0.296SS..Hα-helixtrans-67.4-40.1176.3-73.3170.1000111.7F177 P195 F196 F197 V201 F202 D203F177-I199 HydrophobicContact CD1-CG2 3.56Å; F177-I199 HydrophobicContact CD2-CG2 4.36Å; F177-I199 HydrophobicContact CE1-CB 4.35Å; F177-I199 HydrophobicContact CE1-CD1 4.08Å; F177-I199 HydrophobicContact CE1-CG2 3.1Å; F177-I199 HydrophobicContact CE2-CG2 3.9Å; F177-I199 HydrophobicContact CG-CG2 4.15Å; F177-I199 HydrophobicContact CZ-CG2 3.19Å; P195-I199 WeakPolarHBondContact O-CB 3.48Å; P195-I199 WeakPolarHBondContact O-CD1 3.49Å; P195-I199 VanDerWaalsContact O-CG1 3.24Å; P195-I199 WeakPolarHBondContact O-CG1 3.36Å; P195-I199 PolarHBondContact O-N 3.03Å; P195-I199 VanDerWaalsContact O-N 3.11Å; F196-I199 PolarHBondContact O-N 3.47Å; F197-I199 VanDerWaalsContact C-N 3.29Å; F197-I199 PolarHBondContact O-N 3.21Å; I199-V201 VanDerWaalsContact C-N 3.34Å; I199-F202 WeakPolarHBondContact O-CB 3.3Å; I199-F202 PolarHBondContact O-N 2.91Å; I199-D203 PolarHBondContact O-N 3.26Å
200Q72.3Confident71.6Confident28 Ų2856.7 Ų56.713%0.13129%0.289CS..Hα-helixtrans-70.4-32.8178.5-168.7-176.9-2.600111.8F196 F197 L204 L258F196-Q200 WeakPolarHBondContact O-CB 3.49Å; F196-Q200 PolarHBondContact O-N 3.25Å; F197-Q200 PolarHBondContact O-N 3.46Å; Q200-L204 PolarHBondContact O-N 2.92Å; Q200-L258 HydrophobicContact CB-CD2 3.61Å; Q200-L258 HydrophobicContact CG-CD1 4.48Å; Q200-L258 HydrophobicContact CG-CD2 3.39Å; Q200-L258 HydrophobicContact CG-CG 3.8Å
201V76.2Confident71.8Confident43 Ų4357 Ų5726%0.26129%0.29SS..Hα-helixtrans-66-41.8169.4172.60000110.6F197 F198 I199 L204 I205 L258F197-V201 HydrophobicContact CD1-CG2 4.29Å; F197-V201 HydrophobicContact CD2-CG2 4.44Å; F197-V201 HydrophobicContact CE1-CG2 3.89Å; F197-V201 HydrophobicContact CE2-CG2 4.06Å; F197-V201 HydrophobicContact CZ-CG2 3.76Å; F197-V201 WeakPolarHBondContact O-CG2 3.31Å; F197-V201 PolarHBondContact O-N 3.46Å; F198-V201 PolarHBondContact O-N 3.19Å; I199-V201 VanDerWaalsContact C-N 3.34Å; V201-L204 WeakPolarHBondContact O-CB 3.32Å; V201-L204 PolarHBondContact O-N 3.44Å; V201-I205 HydrophobicContact CG1-CD1 4.03Å; V201-I205 VanDerWaalsContact O-CG1 3.32Å; V201-I205 WeakPolarHBondContact O-CG1 3.25Å; V201-I205 PolarHBondContact O-N 3.01Å; V201-L258 HydrophobicContact CG2-CD1 4.42Å; V201-L258 HydrophobicContact CG2-CD2 4.09Å
202F76.1Confident72.2Confident122 Ų12257.3 Ų57.354%0.53529%0.288SS..Hα-helixtrans-62.3-42.7175.3-177.3-109.7000112F198 I199 L204 I205 I206F198-F202 WeakPolarHBondContact O-CB 3.18Å; F198-F202 PolarHBondContact O-N 3.23Å; I199-F202 WeakPolarHBondContact O-CB 3.3Å; I199-F202 PolarHBondContact O-N 2.91Å; F202-L204 VanDerWaalsContact C-N 3.33Å; F202-L204 PolarHBondContact O-N 3.48Å; F202-I205 WeakPolarHBondContact O-CB 3.47Å; F202-I205 PolarHBondContact O-N 2.9Å; F202-I206 HydrophobicContact CD1-CD1 3.64Å; F202-I206 HydrophobicContact CD1-CG1 4.48Å; F202-I206 HydrophobicContact CE1-CD1 3.24Å; F202-I206 HydrophobicContact CE1-CG1 4.27Å; F202-I206 HydrophobicContact CE2-CD1 4.19Å; F202-I206 HydrophobicContact CE2-CG1 4.43Å; F202-I206 HydrophobicContact CG-CD1 4.29Å; F202-I206 HydrophobicContact CZ-CD1 3.55Å; F202-I206 HydrophobicContact CZ-CG1 4.24Å; F202-I206 WeakPolarHBondContact O-CG1 3.3Å; F202-I206 PolarHBondContact O-N 3.22Å
203D72.2Confident72.3Confident31 Ų3154.9 Ų54.917%0.16629%0.286CS..Hα-helixtrans-59.8-43173.2-173.367.6000111.5I199 I205 I206 C207 K254I199-D203 PolarHBondContact O-N 3.26Å; D203-I205 PolarHBondContact O-N 3.04Å; D203-I206 PolarHBondContact O-N 3.35Å; D203-C207 WeakPolarHBondContact O-CB 3.46Å; D203-C207 PolarHBondContact O-N 3.42Å; D203-C207 PolarHBondContact O-SG 3.22Å; D203-K254 IonicContact OD2-NZ 2.72Å; D203-K254 PolarHBondContact OD2-NZ 3.33Å
204L71.5Confident72.2Confident41 Ų4157.6 Ų57.622%0.21530%0.298CS..Hα-helixtrans-59.4-44.7173.9-178.573.5000112.1Q200 V201 F202 I206 C207 L208 L251 K254 L258Q200-L204 PolarHBondContact O-N 2.92Å; V201-L204 WeakPolarHBondContact O-CB 3.32Å; V201-L204 PolarHBondContact O-N 3.44Å; F202-L204 VanDerWaalsContact C-N 3.33Å; F202-L204 PolarHBondContact O-N 3.48Å; L204-I206 VanDerWaalsContact C-N 3.31Å; L204-I206 PolarHBondContact O-N 3.07Å; L204-C207 WeakPolarHBondContact O-CB 3.31Å; L204-C207 PolarHBondContact O-N 2.82Å; L204-L208 PolarHBondContact O-N 3.1Å; L204-L251 HydrophobicContact CD1-CD2 3.88Å; L204-K254 HydrophobicContact CD1-CB 4.06Å; L204-L258 HydrophobicContact CB-CD1 4.25Å; L204-L258 HydrophobicContact CD2-CD1 3.83Å
205I78.4Confident72.2Confident83 Ų8356.3 Ų56.343%0.42629%0.29SS..Hα-helixtrans-59.9-45.6177.3-69.9164.9000109.8V201 F202 D203 C207 L208 I209V201-I205 HydrophobicContact CG1-CD1 4.03Å; V201-I205 VanDerWaalsContact O-CG1 3.32Å; V201-I205 WeakPolarHBondContact O-CG1 3.25Å; V201-I205 PolarHBondContact O-N 3.01Å; F202-I205 WeakPolarHBondContact O-CB 3.47Å; F202-I205 PolarHBondContact O-N 2.9Å; D203-I205 PolarHBondContact O-N 3.04Å; I205-C207 VanDerWaalsContact C-N 3.33Å; I205-C207 PolarHBondContact O-N 2.96Å; I205-L208 WeakPolarHBondContact O-CB 3.35Å; I205-L208 PolarHBondContact O-N 2.92Å; I205-I209 HydrophobicContact CG2-CD1 3.76Å; I205-I209 HydrophobicContact CG2-CG1 4.43Å; I205-I209 VanDerWaalsContact O-CG1 3.31Å; I205-I209 WeakPolarHBondContact O-CG1 3.27Å; I205-I209 PolarHBondContact O-N 3.38Å
206I69.2Low72.2Confident36 Ų3656.7 Ų56.719%0.18529%0.294CS..Hα-helixtrans-68.1-36.6-179.7-60.1169.3000111.6P84 F202 D203 L204 L208 I209 H210P84-I206 HydrophobicContact CB-CB 4.36Å; P84-I206 HydrophobicContact CB-CD1 4.45Å; P84-I206 HydrophobicContact CB-CG2 3.28Å; P84-I206 HydrophobicContact CG-CB 4.03Å; P84-I206 HydrophobicContact CG-CD1 3.77Å; P84-I206 HydrophobicContact CG-CG1 4.5Å; P84-I206 HydrophobicContact CG-CG2 3.47Å; P84-I206 VanDerWaalsContact CG-CG2 3.47Å; F202-I206 HydrophobicContact CD1-CD1 3.64Å; F202-I206 HydrophobicContact CD1-CG1 4.48Å; F202-I206 HydrophobicContact CE1-CD1 3.24Å; F202-I206 HydrophobicContact CE1-CG1 4.27Å; F202-I206 HydrophobicContact CE2-CD1 4.19Å; F202-I206 HydrophobicContact CE2-CG1 4.43Å; F202-I206 HydrophobicContact CG-CD1 4.29Å; F202-I206 HydrophobicContact CZ-CD1 3.55Å; F202-I206 HydrophobicContact CZ-CG1 4.24Å; F202-I206 WeakPolarHBondContact O-CG1 3.3Å; F202-I206 PolarHBondContact O-N 3.22Å; D203-I206 PolarHBondContact O-N 3.35Å; L204-I206 VanDerWaalsContact C-N 3.31Å; L204-I206 PolarHBondContact O-N 3.07Å; I206-L208 VanDerWaalsContact C-N 3.3Å; I206-L208 PolarHBondContact O-N 3.21Å; I206-I209 PolarHBondContact O-N 3.17Å; I206-H210 WeakPolarHBondContact O-CB 3.32Å; I206-H210 PolarHBondContact O-N 3.27Å
207C68.6Low71.8Confident2 Ų257.3 Ų57.31%0.01430%0.301CS..Hα-helixtrans-61.4-40.5172.9-66.40000112L82 D203 L204 I205 H210 I211 L251 K254L82-C207 HydrophobicContact CD2-CB 3.55Å; L82-C207 WeakPolarHBondContact CD2-SG 3.36Å; L82-C207 HydrophobicContact CG-CB 3.82Å; L82-C207 WeakPolarHBondContact CG-SG 3.3Å; D203-C207 WeakPolarHBondContact O-CB 3.46Å; D203-C207 PolarHBondContact O-N 3.42Å; D203-C207 PolarHBondContact O-SG 3.22Å; L204-C207 WeakPolarHBondContact O-CB 3.31Å; L204-C207 PolarHBondContact O-N 2.82Å; I205-C207 VanDerWaalsContact C-N 3.33Å; I205-C207 PolarHBondContact O-N 2.96Å; C207-H210 PolarHBondContact O-N 3.5Å; C207-I211 WeakPolarHBondContact O-CD1 3.48Å; C207-I211 VanDerWaalsContact O-CG1 3.27Å; C207-I211 WeakPolarHBondContact O-CG1 3.46Å; C207-I211 PolarHBondContact O-N 3.28Å; C207-L251 HydrophobicContact CB-CD2 3.75Å; C207-K254 PolarHBondContact SG-NZ 2.78Å
208L75.6Confident71.1Confident88 Ų8857.4 Ų57.446%0.46130%0.304SS..Hα-helixtrans-63.1-46.5174.8-170.8110.7000110.9L204 I205 I206 H210 I211 L212 L251L204-L208 PolarHBondContact O-N 3.1Å; I205-L208 WeakPolarHBondContact O-CB 3.35Å; I205-L208 PolarHBondContact O-N 2.92Å; I206-L208 VanDerWaalsContact C-N 3.3Å; I206-L208 PolarHBondContact O-N 3.21Å; L208-H210 VanDerWaalsContact C-N 3.32Å; L208-H210 PolarHBondContact O-N 3.09Å; L208-I211 PolarHBondContact O-N 2.85Å; L208-L212 HydrophobicContact CD2-CD1 3.86Å; L208-L212 HydrophobicContact CG-CD1 4.24Å; L208-L212 WeakPolarHBondContact O-CB 3.48Å; L208-L212 VanDerWaalsContact O-CG 3.27Å; L208-L212 WeakPolarHBondContact O-CG 3.25Å; L208-L212 PolarHBondContact O-N 2.9Å; L208-L251 HydrophobicContact CD1-CD1 4.34Å
209I74.6Confident70.5Confident98 Ų9855.2 Ų55.250%0.50330%0.304SS..Hα-helixtrans-61.5-41.3176.5-67.2165.3000110.8I205 I206 L212 G213I205-I209 HydrophobicContact CG2-CD1 3.76Å; I205-I209 HydrophobicContact CG2-CG1 4.43Å; I205-I209 VanDerWaalsContact O-CG1 3.31Å; I205-I209 WeakPolarHBondContact O-CG1 3.27Å; I205-I209 PolarHBondContact O-N 3.38Å; I206-I209 PolarHBondContact O-N 3.17Å; I209-L212 CarbonylContact O-C 3.57Å; I209-L212 PolarHBondContact O-N 3.48Å; I209-G213 PolarHBondContact O-N 3.42Å
210H70.4Confident69.7Low50 Ų5057.9 Ų57.923%0.23132%0.318CS..Hα-helixtrans-62.7-44.9177.5177.5-100.3000111.8S87 I206 C207 L208 L212 G213 F214S87-H210 PolarHBondContact OG-NE2 3.18Å; I206-H210 WeakPolarHBondContact O-CB 3.32Å; I206-H210 PolarHBondContact O-N 3.27Å; C207-H210 PolarHBondContact O-N 3.5Å; L208-H210 VanDerWaalsContact C-N 3.32Å; L208-H210 PolarHBondContact O-N 3.09Å; H210-L212 VanDerWaalsContact C-N 3.33Å; H210-L212 PolarHBondContact O-N 2.97Å; H210-G213 PolarHBondContact O-N 3.11Å; H210-F214 WeakPolarHBondContact O-CB 3.33Å; H210-F214 PolarHBondContact O-N 3.27Å
211I69.6Low68.6Low15 Ų1562.4 Ų62.48%0.07734%0.343CS..Hα-helixtrans-64.7-39.8176.3-67.6160.6000110.7L82 C207 L208 F214 M215 L244 L251L82-I211 HydrophobicContact CD1-CD1 4.43Å; L82-I211 HydrophobicContact CD1-CG1 4.48Å; C207-I211 WeakPolarHBondContact O-CD1 3.48Å; C207-I211 VanDerWaalsContact O-CG1 3.27Å; C207-I211 WeakPolarHBondContact O-CG1 3.46Å; C207-I211 PolarHBondContact O-N 3.28Å; L208-I211 PolarHBondContact O-N 2.85Å; I211-F214 PolarHBondContact O-N 3.48Å; I211-M215 WeakPolarHBondContact O-CG 3.42Å; I211-M215 PolarHBondContact O-N 3.24Å; I211-L244 HydrophobicContact CG2-CD1 3.98Å; I211-L251 HydrophobicContact CD1-CD1 3.46Å; I211-L251 VanDerWaalsContact CD1-CD1 3.46Å; I211-L251 HydrophobicContact CD1-CD2 3.87Å; I211-L251 HydrophobicContact CD1-CG 3.54Å
212L76.8Confident67.2Low103 Ų10367.9 Ų67.954%0.53936%0.359SS..Hα-helixtrans-64.3-39.5173.4-72169.6000112L208 I209 H210 M215 S216L208-L212 HydrophobicContact CD2-CD1 3.86Å; L208-L212 HydrophobicContact CG-CD1 4.24Å; L208-L212 WeakPolarHBondContact O-CB 3.48Å; L208-L212 VanDerWaalsContact O-CG 3.27Å; L208-L212 WeakPolarHBondContact O-CG 3.25Å; L208-L212 PolarHBondContact O-N 2.9Å; I209-L212 CarbonylContact O-C 3.57Å; I209-L212 PolarHBondContact O-N 3.48Å; H210-L212 VanDerWaalsContact C-N 3.33Å; H210-L212 PolarHBondContact O-N 2.97Å; L212-M215 WeakPolarHBondContact O-CB 3.41Å; L212-M215 PolarHBondContact O-N 2.87Å; L212-S216 PolarHBondContact O-N 2.95Å
213G72Confident65.8Low36 Ų3669.3 Ų69.337%0.37137%0.372SS..Hα-helixtrans-63.9-42.2173.900000111.9I209 H210 M215 S216 S217I209-G213 PolarHBondContact O-N 3.42Å; H210-G213 PolarHBondContact O-N 3.11Å; G213-M215 VanDerWaalsContact C-N 3.33Å; G213-M215 PolarHBondContact O-N 3.42Å; G213-S216 PolarHBondContact O-N 3.44Å; G213-S217 PolarHBondContact O-N 2.85Å
214F64.9Low64.3Low66 Ų6675.9 Ų75.929%0.28940%0.403SS..Hα-helixtrans-63-39.4174.2-175.5-99.4000111.9H210 I211 T218 I243H210-F214 WeakPolarHBondContact O-CB 3.33Å; H210-F214 PolarHBondContact O-N 3.27Å; I211-F214 PolarHBondContact O-N 3.48Å; F214-T218 VanDerWaalsContact O-CB 3.31Å; F214-T218 WeakPolarHBondContact O-CB 3.47Å; F214-T218 PolarHBondContact O-N 3.5Å; F214-T218 PolarHBondContact O-OG1 2.99Å; F214-I243 HydrophobicContact CD1-CG2 4.3Å; F214-I243 HydrophobicContact CE1-CB 4.3Å; F214-I243 HydrophobicContact CE1-CD1 4.45Å; F214-I243 HydrophobicContact CE1-CG2 3.61Å; F214-I243 HydrophobicContact CZ-CD1 4.09Å; F214-I243 HydrophobicContact CZ-CG2 3.98Å
215M68.9Low63.2Low52 Ų5280.5 Ų80.526%0.25643%0.427SS..Hα-helixtrans-64-44.3173.8-69.5-82.380.200111.6I211 L212 G213 T218 S219 T240 L244I211-M215 WeakPolarHBondContact O-CG 3.42Å; I211-M215 PolarHBondContact O-N 3.24Å; L212-M215 WeakPolarHBondContact O-CB 3.41Å; L212-M215 PolarHBondContact O-N 2.87Å; G213-M215 VanDerWaalsContact C-N 3.33Å; G213-M215 PolarHBondContact O-N 3.42Å; M215-T218 PolarHBondContact O-N 3.27Å; M215-S219 PolarHBondContact O-N 3.4Å; M215-S219 PolarHBondContact O-OG 3.14Å; M215-T240 HydrophobicContact CE-CG2 3.43Å; M215-T240 VanDerWaalsContact CE-CG2 3.43Å; M215-L244 HydrophobicContact CE-CD1 4.47Å; M215-L244 HydrophobicContact CG-CD1 4.3Å; M215-L244 HydrophobicContact SD-CD1 3.75Å; M215-L244 HydrophobicContact SD-CD2 3.89Å; M215-L244 HydrophobicContact SD-CG 4.29Å
216S71.1Confident61.6Low66 Ų6686 Ų8646%0.46245%0.45SS..Hα-helixtrans-62.7-46177.9-163.40000111.9L212 G213 T218 S219 D220L212-S216 PolarHBondContact O-N 2.95Å; G213-S216 PolarHBondContact O-N 3.44Å; S216-T218 VanDerWaalsContact C-N 3.33Å; S216-T218 PolarHBondContact O-N 3.04Å; S216-S219 WeakPolarHBondContact CA-OG 3.48Å; S216-S219 PolarHBondContact O-N 3.44Å; S216-S219 PolarHBondContact O-OG 3.49Å; S216-D220 PolarHBondContact O-N 3.4Å
217S63Low60.6Low37 Ų3789.1 Ų89.126%0.25947%0.471SS..Hα-helixtrans-65-37.8176.9177.60000111.7G213 S219 D220 L221G213-S217 PolarHBondContact O-N 2.85Å; S217-S219 VanDerWaalsContact C-N 3.32Å; S217-S219 PolarHBondContact O-N 3.13Å; S217-D220 PolarHBondContact O-N 3.36Å; S217-L221 PolarHBondContact O-N 3.32Å
218T60.5Low59.6Low30 Ų3099 Ų9918%0.18451%0.514CS..Hα-helixtrans-67.3-31.8176.9-57.90000112.4F214 M215 S216 T240F214-T218 VanDerWaalsContact O-CB 3.31Å; F214-T218 WeakPolarHBondContact O-CB 3.47Å; F214-T218 PolarHBondContact O-N 3.5Å; F214-T218 PolarHBondContact O-OG1 2.99Å; M215-T218 PolarHBondContact O-N 3.27Å; S216-T218 VanDerWaalsContact C-N 3.33Å; S216-T218 PolarHBondContact O-N 3.04Å; T218-T240 HydrophobicContact CG2-CG2 3.66Å
219S59Low58.3Low72 Ų72100.4 Ų100.450%0.50353%0.526SS..Hα-helixtrans-69.9-33.9172.840.30000113.1M215 S216 S217 R222M215-S219 PolarHBondContact O-N 3.4Å; M215-S219 PolarHBondContact O-OG 3.14Å; S216-S219 WeakPolarHBondContact CA-OG 3.48Å; S216-S219 PolarHBondContact O-N 3.44Å; S216-S219 PolarHBondContact O-OG 3.49Å; S217-S219 VanDerWaalsContact C-N 3.32Å; S217-S219 PolarHBondContact O-N 3.13Å; S219-R222 WeakPolarHBondContact O-CB 3.41Å; S219-R222 PolarHBondContact O-N 2.97Å
220D53.6Low57.1Low116 Ų11698.5 Ų98.562%0.6253%0.531SS*.Hα-helixtrans-77.7-31.8178.2-70.7-31.8000112.5S216 S217 R222 L223S216-D220 PolarHBondContact O-N 3.4Å; S217-D220 PolarHBondContact O-N 3.36Å; D220-R222 PolarHBondContact O-N 3.36Å; D220-R222 VanDerWaalsContact O-N 3.11Å; D220-L223 PolarHBondContact O-N 2.81Å
221L47.6Very low55.9Low124 Ų124101.7 Ų101.765%0.64956%0.556SS**THydrogen-bonded Turntrans-66.1-12.8173.2-147.681.5000113.2S217S217-L221 PolarHBondContact O-N 3.32Å
222R47.2Very low54.6Low157 Ų157107.6 Ų107.659%0.59259%0.586SS**THydrogen-bonded Turntrans-85-1-179.5-105.8-93.9-135.9-1561.2114.1S219 D220 T237S219-R222 WeakPolarHBondContact O-CB 3.41Å; S219-R222 PolarHBondContact O-N 2.97Å; D220-R222 PolarHBondContact O-N 3.36Å; D220-R222 VanDerWaalsContact O-N 3.11Å; R222-T237 PolarHBondContact NH2-OG1 3.48Å
223L47.5Very low53Low153 Ų153112.4 Ų112.480%0.80160%0.599SS**SBendtrans-107.2-13.2-170.9-16266.6000116.4D220D220-L223 PolarHBondContact O-N 2.81Å
224M40.4Very low52.1Low168 Ų168116.5 Ų116.583%0.82861%0.611SS**  trans-158.481.8-176-164.1152.658.700115.4
225I47.9Very low51.5Low139 Ų139121.3 Ų121.371%0.71363%0.632SS**  trans-128.376.8159.4-58.3175.4000107.8T227I225-T227 HydrophobicContact CG2-CG2 3.86Å; I225-T227 PolarHBondContact O-N 2.94Å
226H45.7Very low51.2Low197 Ų197122.2 Ų122.291%0.91264%0.643SS**  trans-9572.1164.6-163.2-82.2000107.8
227T47.9Very low51Low102 Ų102121.6 Ų121.663%0.62664%0.637SS**  trans-106.7146.8168.9-167.10000110.1I225 T229I225-T227 HydrophobicContact CG2-CG2 3.86Å; I225-T227 PolarHBondContact O-N 2.94Å; T227-T229 PolarHBondContact O-N 2.68Å
228K48.3Very low51.3Low209 Ų209121.1 Ų121.191%0.90964%0.637SS**SBendtrans-70.421.4-151.1-158.6167.5176.61680115.8
229T47.8Very low51.5Low119 Ų119125.8 Ų125.873%0.7366%0.655SS**SBendtrans-137.851.2-162.8-340000112.7T227T227-T229 PolarHBondContact O-N 2.68Å
230G49.2Very low51.8Low58 Ų58123.7 Ų123.760%0.59864%0.639SS**  trans68.7143.4166.700000116.4I232G230-I232 PolarHBondContact O-N 2.78Å
231P44.2Very low52.7Low116 Ų116124.5 Ų124.575%0.75364%0.638SS**  trans-79.490.5175.832.4-32.5000109.6Y233P231-Y233 VanDerWaalsContact C-N 3.25Å; P231-Y233 HydrophobicContact CB-CD2 4.33Å; P231-Y233 PolarHBondContact O-N 3.1Å
232I43.5Very low53.8Low139 Ų139123.2 Ų123.271%0.71363%0.63SS**  trans-74.291163.2-63.4-179.3000107.5G230 I234G230-I232 PolarHBondContact O-N 2.78Å; I232-I234 HydrophobicContact CG2-CB 4.42Å; I232-I234 HydrophobicContact CG2-CD1 3.24Å; I232-I234 HydrophobicContact CG2-CG1 3.44Å; I232-I234 VanDerWaalsContact CG2-CG1 3.44Å; I232-I234 PolarHBondContact O-N 3.4Å
233Y43Very low54.8Low205 Ų205118.3 Ų118.380%0.80462%0.615SS**  trans-72.754.7178-125.3-90000111.3P231 K235P231-Y233 VanDerWaalsContact C-N 3.25Å; P231-Y233 HydrophobicContact CB-CD2 4.33Å; P231-Y233 PolarHBondContact O-N 3.1Å; Y233-K235 VanDerWaalsContact C-N 3.33Å; Y233-K235 PolarHBondContact O-N 3.25Å
234I52.8Low56.1Low121 Ų121113.7 Ų113.762%0.62159%0.591SS**  trans-81.687173.5-62160.6000108I232 S236I232-I234 HydrophobicContact CG2-CB 4.42Å; I232-I234 HydrophobicContact CG2-CD1 3.24Å; I232-I234 HydrophobicContact CG2-CG1 3.44Å; I232-I234 VanDerWaalsContact CG2-CG1 3.44Å; I232-I234 PolarHBondContact O-N 3.4Å; I234-S236 PolarHBondContact O-N 2.83Å
235K53Low57.8Low168 Ų168109.1 Ų109.173%0.7358%0.575SS**  trans21.147.3159.9-128.1169.3-177.1163.40117.4Y233 T237 G238Y233-K235 VanDerWaalsContact C-N 3.33Å; Y233-K235 PolarHBondContact O-N 3.25Å; K235-T237 PolarHBondContact O-N 3.41Å; K235-G238 PolarHBondContact O-N 2.96Å
236S63Low58.9Low71 Ų71105.8 Ų105.850%0.49756%0.559SS.*Hα-helixtrans-53-34.4179.9163.30000111.8I234 G238 F239 T240I234-S236 PolarHBondContact O-N 2.83Å; S236-G238 VanDerWaalsContact C-N 3.34Å; S236-G238 PolarHBondContact O-N 2.94Å; S236-F239 PolarHBondContact O-N 2.97Å; S236-T240 PolarHBondContact O-N 2.93Å; S236-T240 PolarHBondContact O-OG1 2.85Å
237T66.1Low60.1Low53 Ų5397.3 Ų97.333%0.32552%0.521SS..Hα-helixtrans-57.9-40.1173.4-47.40000113.7R222 K235 T240 F241R222-T237 PolarHBondContact NH2-OG1 3.48Å; K235-T237 PolarHBondContact O-N 3.41Å; T237-T240 PolarHBondContact O-N 3.07Å; T237-F241 HydrophobicContact CG2-CD2 3.73Å; T237-F241 HydrophobicContact CG2-CE2 3.4Å; T237-F241 WeakPolarHBondContact O-CD2 3.4Å; T237-F241 PolarHBondContact O-N 3.36Å
238G69.3Low61.5Low26 Ų2695.9 Ų95.927%0.26852%0.515SS..Hα-helixtrans-67-41.7-178.900000112.4K235 S236 F241 I242K235-G238 PolarHBondContact O-N 2.96Å; S236-G238 VanDerWaalsContact C-N 3.34Å; S236-G238 PolarHBondContact O-N 2.94Å; G238-F241 PolarHBondContact O-N 3.25Å; G238-I242 VanDerWaalsContact O-CG1 3.26Å; G238-I242 WeakPolarHBondContact O-CG1 3.42Å; G238-I242 PolarHBondContact O-N 3Å
239F65.3Low62.7Low128 Ų12892.3 Ų92.356%0.56150%0.503SS*.Hα-helixtrans-63.5-42.7175.8-74.3-76.1000112S236 F241 I242 I243S236-F239 PolarHBondContact O-N 2.97Å; F239-F241 VanDerWaalsContact C-N 3.33Å; F239-F241 PolarHBondContact O-N 2.65Å; F239-I242 PolarHBondContact O-N 2.92Å; F239-I243 VanDerWaalsContact O-CG1 3.25Å; F239-I243 WeakPolarHBondContact O-CG1 3.35Å; F239-I243 PolarHBondContact O-N 3.18Å
240T65.3Low63.7Low28 Ų2890 Ų9017%0.17249%0.485CS..Hα-helixtrans-58.4-44.2173.4-54.50000111.9M215 T218 S236 T237 I243 L244M215-T240 HydrophobicContact CE-CG2 3.43Å; M215-T240 VanDerWaalsContact CE-CG2 3.43Å; T218-T240 HydrophobicContact CG2-CG2 3.66Å; S236-T240 PolarHBondContact O-N 2.93Å; S236-T240 PolarHBondContact O-OG1 2.85Å; T237-T240 PolarHBondContact O-N 3.07Å; T240-I243 PolarHBondContact O-N 2.87Å; T240-L244 VanDerWaalsContact O-CB 3.28Å; T240-L244 WeakPolarHBondContact O-CB 3.43Å; T240-L244 PolarHBondContact O-N 2.74Å
241F70.9Confident64.9Low134 Ų13488.7 Ų88.759%0.58846%0.464SS*.Hα-helixtrans-65.2-39.1176.5-81-62.5000112.8T237 G238 F239 L244 S245T237-F241 HydrophobicContact CG2-CD2 3.73Å; T237-F241 HydrophobicContact CG2-CE2 3.4Å; T237-F241 WeakPolarHBondContact O-CD2 3.4Å; T237-F241 PolarHBondContact O-N 3.36Å; G238-F241 PolarHBondContact O-N 3.25Å; F239-F241 VanDerWaalsContact C-N 3.33Å; F239-F241 PolarHBondContact O-N 2.65Å; F241-L244 PolarHBondContact O-N 3.46Å; F241-S245 WeakPolarHBondContact O-CB 3.48Å; F241-S245 PolarHBondContact O-N 2.91Å
242I72Confident66.5Low96 Ų9685.5 Ų85.549%0.49245%0.447SS..Hα-helixtrans-63.2-47.8175.4-69.4164.1000109.9G238 F239 L244 S245 I246G238-I242 VanDerWaalsContact O-CG1 3.26Å; G238-I242 WeakPolarHBondContact O-CG1 3.42Å; G238-I242 PolarHBondContact O-N 3Å; F239-I242 PolarHBondContact O-N 2.92Å; I242-L244 PolarHBondContact O-N 3.25Å; I242-S245 PolarHBondContact O-N 2.86Å; I242-I246 HydrophobicContact CG2-CD1 3.7Å; I242-I246 HydrophobicContact CG2-CG1 4.47Å; I242-I246 WeakPolarHBondContact O-CD1 3.34Å; I242-I246 VanDerWaalsContact O-CG1 3.23Å; I242-I246 WeakPolarHBondContact O-CG1 3.18Å; I242-I246 PolarHBondContact O-N 3.36Å
243I68.3Low68Low55 Ų5583.3 Ų83.328%0.28243%0.433SS..Hα-helixtrans-60.6-48.2177.7-65.8164.6000110F214 F239 T240 S245 I246 S247F214-I243 HydrophobicContact CD1-CG2 4.3Å; F214-I243 HydrophobicContact CE1-CB 4.3Å; F214-I243 HydrophobicContact CE1-CD1 4.45Å; F214-I243 HydrophobicContact CE1-CG2 3.61Å; F214-I243 HydrophobicContact CZ-CD1 4.09Å; F214-I243 HydrophobicContact CZ-CG2 3.98Å; F239-I243 VanDerWaalsContact O-CG1 3.25Å; F239-I243 WeakPolarHBondContact O-CG1 3.35Å; F239-I243 PolarHBondContact O-N 3.18Å; T240-I243 PolarHBondContact O-N 2.87Å; I243-S245 VanDerWaalsContact C-N 3.33Å; I243-S245 PolarHBondContact O-N 3.34Å; I243-I246 PolarHBondContact O-N 3.22Å; I243-S247 WeakPolarHBondContact O-CB 3.3Å; I243-S247 PolarHBondContact O-N 3.48Å; I243-S247 PolarHBondContact O-OG 3.45Å; I243-S247 VanDerWaalsContact O-OG 3.08Å
244L73.3Confident69.5Low56 Ų5675.2 Ų75.229%0.29340%0.402SS..Hα-helixtrans-59.2-43.2176.9-179.464.3000112.1I211 M215 T240 F241 I242 S247 C248I211-L244 HydrophobicContact CG2-CD1 3.98Å; M215-L244 HydrophobicContact CE-CD1 4.47Å; M215-L244 HydrophobicContact CG-CD1 4.3Å; M215-L244 HydrophobicContact SD-CD1 3.75Å; M215-L244 HydrophobicContact SD-CD2 3.89Å; M215-L244 HydrophobicContact SD-CG 4.29Å; T240-L244 VanDerWaalsContact O-CB 3.28Å; T240-L244 WeakPolarHBondContact O-CB 3.43Å; T240-L244 PolarHBondContact O-N 2.74Å; F241-L244 PolarHBondContact O-N 3.46Å; I242-L244 PolarHBondContact O-N 3.25Å; L244-S247 PolarHBondContact O-N 2.97Å; L244-C248 VanDerWaalsContact O-CB 3.26Å; L244-C248 WeakPolarHBondContact O-CB 3.49Å; L244-C248 PolarHBondContact O-N 3.43Å
245S76.2Confident70.7Confident71 Ų7169.9 Ų69.950%0.49738%0.376SS..Hα-helixtrans-62.2-44.5177.5-177.10000111.2F241 I242 I243 C248 M249F241-S245 WeakPolarHBondContact O-CB 3.48Å; F241-S245 PolarHBondContact O-N 2.91Å; I242-S245 PolarHBondContact O-N 2.86Å; I243-S245 VanDerWaalsContact C-N 3.33Å; I243-S245 PolarHBondContact O-N 3.34Å; S245-C248 PolarHBondContact O-N 2.84Å; S245-M249 VanDerWaalsContact O-CG 3.29Å; S245-M249 WeakPolarHBondContact O-CG 3.32Å; S245-M249 PolarHBondContact O-N 2.79Å
246I71.7Confident71.9Confident70 Ų7066.5 Ų66.536%0.35936%0.359SS..Hα-helixtrans-64.8-46.3177.3-65161.6000109.9L79 I242 I243 C248 M249 M250L79-I246 HydrophobicContact CD2-CB 4.28Å; L79-I246 HydrophobicContact CD2-CD1 4.42Å; L79-I246 HydrophobicContact CD2-CG2 3.5Å; I242-I246 HydrophobicContact CG2-CD1 3.7Å; I242-I246 HydrophobicContact CG2-CG1 4.47Å; I242-I246 WeakPolarHBondContact O-CD1 3.34Å; I242-I246 VanDerWaalsContact O-CG1 3.23Å; I242-I246 WeakPolarHBondContact O-CG1 3.18Å; I242-I246 PolarHBondContact O-N 3.36Å; I243-I246 PolarHBondContact O-N 3.22Å; I246-C248 VanDerWaalsContact C-N 3.33Å; I246-C248 PolarHBondContact O-N 3.06Å; I246-M249 PolarHBondContact O-N 3.02Å; I246-M250 VanDerWaalsContact O-CG 3.3Å; I246-M250 WeakPolarHBondContact O-CG 3.21Å; I246-M250 PolarHBondContact O-N 3.38Å
247S71.3Confident72.4Confident18 Ų1863.3 Ų63.313%0.12634%0.337CS..Hα-helixtrans-58.7-41.6175.5-66.60000112.4I243 L244 M250 L251I243-S247 WeakPolarHBondContact O-CB 3.3Å; I243-S247 PolarHBondContact O-N 3.48Å; I243-S247 PolarHBondContact O-OG 3.45Å; I243-S247 VanDerWaalsContact O-OG 3.08Å; L244-S247 PolarHBondContact O-N 2.97Å; S247-M250 WeakPolarHBondContact O-CB 3.41Å; S247-M250 PolarHBondContact O-N 2.91Å; S247-L251 WeakPolarHBondContact O-CG 3.44Å; S247-L251 PolarHBondContact O-N 3.17Å
248C77.8Confident73Confident73 Ų7360.9 Ų60.949%0.49332%0.322SS..Hα-helixtrans-65-44.8176.6-176.80000112L244 S245 I246 M250 L251 A252L244-C248 VanDerWaalsContact O-CB 3.26Å; L244-C248 WeakPolarHBondContact O-CB 3.49Å; L244-C248 PolarHBondContact O-N 3.43Å; S245-C248 PolarHBondContact O-N 2.84Å; I246-C248 VanDerWaalsContact C-N 3.33Å; I246-C248 PolarHBondContact O-N 3.06Å; C248-M250 VanDerWaalsContact C-N 3.28Å; C248-M250 PolarHBondContact O-N 3.4Å; C248-L251 WeakPolarHBondContact O-CB 3.28Å; C248-L251 PolarHBondContact O-N 3.41Å; C248-A252 WeakPolarHBondContact O-CB 3.24Å; C248-A252 PolarHBondContact O-N 3.36Å
249M73.5Confident73.4Confident133 Ų13359.8 Ų59.866%0.65531%0.311SS*.Hα-helixtrans-60.7-39174.5-71.6-66.8-76.500111.6S245 I246 A252 F253S245-M249 VanDerWaalsContact O-CG 3.29Å; S245-M249 WeakPolarHBondContact O-CG 3.32Å; S245-M249 PolarHBondContact O-N 2.79Å; I246-M249 PolarHBondContact O-N 3.02Å; M249-A252 PolarHBondContact O-N 3.04Å; M249-F253 WeakPolarHBondContact O-CB 3.37Å; M249-F253 PolarHBondContact O-N 3.42Å
250M68.5Low73.9Confident71 Ų7154.8 Ų54.835%0.3529%0.29SS..Hα-helixtrans-64.8-41.4174.1-72.4-63.8-67.600112.4I246 S247 C248 F253 K254I246-M250 VanDerWaalsContact O-CG 3.3Å; I246-M250 WeakPolarHBondContact O-CG 3.21Å; I246-M250 PolarHBondContact O-N 3.38Å; S247-M250 WeakPolarHBondContact O-CB 3.41Å; S247-M250 PolarHBondContact O-N 2.91Å; C248-M250 VanDerWaalsContact C-N 3.28Å; C248-M250 PolarHBondContact O-N 3.4Å; M250-F253 PolarHBondContact O-N 3.38Å; M250-K254 PolarHBondContact O-N 2.93Å
251L74.9Confident74.4Confident30 Ų3054 Ų5416%0.15729%0.285CS..Hα-helixtrans-63.1-45.2173.7-72.5179.4000111.8L82 L204 C207 L208 I211 S247 C248 F253 K254 A255L82-L251 HydrophobicContact CD2-CD2 4.5Å; L204-L251 HydrophobicContact CD1-CD2 3.88Å; C207-L251 HydrophobicContact CB-CD2 3.75Å; L208-L251 HydrophobicContact CD1-CD1 4.34Å; I211-L251 HydrophobicContact CD1-CD1 3.46Å; I211-L251 VanDerWaalsContact CD1-CD1 3.46Å; I211-L251 HydrophobicContact CD1-CD2 3.87Å; I211-L251 HydrophobicContact CD1-CG 3.54Å; S247-L251 WeakPolarHBondContact O-CG 3.44Å; S247-L251 PolarHBondContact O-N 3.17Å; C248-L251 WeakPolarHBondContact O-CB 3.28Å; C248-L251 PolarHBondContact O-N 3.41Å; L251-F253 VanDerWaalsContact C-N 3.27Å; L251-F253 PolarHBondContact O-N 2.92Å; L251-K254 PolarHBondContact O-N 3.36Å; L251-A255 WeakPolarHBondContact O-CB 3.46Å; L251-A255 PolarHBondContact O-N 3.33Å
252A77.9Confident74.8Confident50 Ų5050.3 Ų50.341%0.41327%0.267SS..Hα-helixtrans-61.2-39.4177.400000111.2C248 M249 A255 Y256C248-A252 WeakPolarHBondContact O-CB 3.24Å; C248-A252 PolarHBondContact O-N 3.36Å; M249-A252 PolarHBondContact O-N 3.04Å; A252-A255 PolarHBondContact O-N 2.94Å; A252-Y256 WeakPolarHBondContact O-CB 3.44Å; A252-Y256 PolarHBondContact O-N 2.71Å
253F73.2Confident74.9Confident92 Ų9247.2 Ų47.240%0.40425%0.252SS..Hα-helixtrans-66.5-44.6173.8-178.5-110.6000112.4F31 M249 M250 L251 A255 Y256 C257F31-F253 HydrophobicContact CD2-CE1 4.36Å; F31-F253 HydrophobicContact CD2-CZ 4.01Å; F31-F253 AromaticContact CE2-CE1 3.51Å; F31-F253 HydrophobicContact CE2-CE1 3.51Å; F31-F253 AromaticContact CE2-CZ 3.6Å; F31-F253 HydrophobicContact CE2-CZ 3.6Å; F31-F253 HydrophobicContact CZ-CE1 4.32Å; M249-F253 WeakPolarHBondContact O-CB 3.37Å; M249-F253 PolarHBondContact O-N 3.42Å; M250-F253 PolarHBondContact O-N 3.38Å; L251-F253 VanDerWaalsContact C-N 3.27Å; L251-F253 PolarHBondContact O-N 2.92Å; F253-A255 VanDerWaalsContact C-N 3.31Å; F253-A255 PolarHBondContact O-N 2.94Å; F253-Y256 WeakPolarHBondContact O-CB 3.49Å; F253-Y256 PolarHBondContact O-N 3.21Å; F253-C257 PolarHBondContact O-N 3.29Å; F253-C257 PolarHBondContact O-SG 3.39Å
254K74.4Confident75.2Confident35 Ų3544.7 Ų44.715%0.15224%0.239CC..Hα-helixtrans-59.2-41.9173.7-78.4-166.7174.3-171.20111.8L82 D203 L204 C207 M250 L251 C257 L258L82-K254 HydrophobicContact CD2-CD 4.25Å; L82-K254 PolarHBondContact O-NZ 2.84Å; D203-K254 IonicContact OD2-NZ 2.72Å; D203-K254 PolarHBondContact OD2-NZ 3.33Å; L204-K254 HydrophobicContact CD1-CB 4.06Å; C207-K254 PolarHBondContact SG-NZ 2.78Å; M250-K254 PolarHBondContact O-N 2.93Å; L251-K254 PolarHBondContact O-N 3.36Å; K254-C257 PolarHBondContact O-N 3.38Å; K254-L258 PolarHBondContact O-N 2.89Å
255A78.7Confident75.2Confident10 Ų1043.7 Ų43.78%0.08323%0.231CC..Hα-helixtrans-62.1-48.8173.400000110.8L251 A252 F253 C257 L258 G259 W292L251-A255 WeakPolarHBondContact O-CB 3.46Å; L251-A255 PolarHBondContact O-N 3.33Å; A252-A255 PolarHBondContact O-N 2.94Å; F253-A255 VanDerWaalsContact C-N 3.31Å; F253-A255 PolarHBondContact O-N 2.94Å; A255-C257 PolarHBondContact O-N 3.01Å; A255-L258 WeakPolarHBondContact O-CA 3.46Å; A255-L258 VanDerWaalsContact O-CB 3.31Å; A255-L258 WeakPolarHBondContact O-CB 3.43Å; A255-L258 PolarHBondContact O-N 3.47Å; A255-G259 PolarHBondContact O-N 3.18Å; A255-W292 HydrophobicContact CB-CH2 4.2Å; A255-W292 HydrophobicContact CB-CZ3 4.41Å; A255-W292 WeakPolarHBondContact O-CH2 3.31Å; A255-W292 WeakPolarHBondContact O-CZ3 3.32Å
256Y78.4Confident75Confident96 Ų9642.9 Ų42.938%0.37622%0.219SC..Hα-helixtrans-53.8-43.2175.8176.7-99.1000112.2A252 F253 G259 M260A252-Y256 WeakPolarHBondContact O-CB 3.44Å; A252-Y256 PolarHBondContact O-N 2.71Å; F253-Y256 WeakPolarHBondContact O-CB 3.49Å; F253-Y256 PolarHBondContact O-N 3.21Å; Y256-G259 PolarHBondContact O-N 3.09Å; Y256-M260 HydrophobicContact CD1-CG 4.16Å; Y256-M260 HydrophobicContact CE1-CG 3.72Å; Y256-M260 HydrophobicContact CE1-SD 4.31Å; Y256-M260 HydrophobicContact CE2-CG 4.42Å; Y256-M260 WeakPolarHBondContact O-CG 3.22Å; Y256-M260 PolarHBondContact O-N 3.31Å
257C74.4Confident74.8Confident5 Ų541.9 Ų41.93%0.03421%0.211CC..Hα-helixtrans-65.2-40.3176.4-64.50000112.8F31 F253 K254 A255 G259 M260 V261F31-C257 HydrophobicContact CD1-CB 4.11Å; F31-C257 VanDerWaalsContact CD2-SG 3.56Å; F31-C257 HydrophobicContact CE1-CB 3.62Å; F31-C257 HydrophobicContact CE2-CB 4.2Å; F31-C257 WeakPolarHBondContact CE2-SG 3.07Å; F31-C257 HydrophobicContact CZ-CB 3.67Å; F31-C257 WeakPolarHBondContact CZ-SG 3.44Å; F253-C257 PolarHBondContact O-N 3.29Å; F253-C257 PolarHBondContact O-SG 3.39Å; K254-C257 PolarHBondContact O-N 3.38Å; A255-C257 PolarHBondContact O-N 3.01Å; C257-G259 VanDerWaalsContact C-N 3.31Å; C257-G259 PolarHBondContact O-N 2.89Å; C257-M260 WeakPolarHBondContact O-CB 3.45Å; C257-M260 PolarHBondContact O-N 3.25Å; C257-V261 WeakPolarHBondContact O-CG2 3.3Å; C257-V261 PolarHBondContact O-N 3.37Å
258L78.1Confident74.8Confident1 Ų141.6 Ų41.61%0.00521%0.208CC..Hα-helixtrans-58.1-43.4170.9-85.3167.2000111.5F197 Q200 V201 L204 K254 A255 V261 W262 W292F197-L258 HydrophobicContact CD2-CD2 4.05Å; F197-L258 HydrophobicContact CE2-CD2 4.09Å; Q200-L258 HydrophobicContact CB-CD2 3.61Å; Q200-L258 HydrophobicContact CG-CD1 4.48Å; Q200-L258 HydrophobicContact CG-CD2 3.39Å; Q200-L258 HydrophobicContact CG-CG 3.8Å; V201-L258 HydrophobicContact CG2-CD1 4.42Å; V201-L258 HydrophobicContact CG2-CD2 4.09Å; L204-L258 HydrophobicContact CB-CD1 4.25Å; L204-L258 HydrophobicContact CD2-CD1 3.83Å; K254-L258 PolarHBondContact O-N 2.89Å; A255-L258 WeakPolarHBondContact O-CA 3.46Å; A255-L258 VanDerWaalsContact O-CB 3.31Å; A255-L258 WeakPolarHBondContact O-CB 3.43Å; A255-L258 PolarHBondContact O-N 3.47Å; L258-V261 PolarHBondContact O-N 2.93Å; L258-W262 VanDerWaalsContact O-CB 3.25Å; L258-W262 WeakPolarHBondContact O-CB 3.27Å; L258-W262 PolarHBondContact O-N 2.85Å; L258-W292 HydrophobicContact CB-CH2 3.53Å; L258-W292 HydrophobicContact CB-CZ2 3.9Å
259G77.3Confident74.4Confident4 Ų439.6 Ų39.64%0.04119%0.192CC..Hα-helixtrans-62-42.417500000112.5A255 Y256 C257 W262 D263A255-G259 PolarHBondContact O-N 3.18Å; Y256-G259 PolarHBondContact O-N 3.09Å; C257-G259 VanDerWaalsContact C-N 3.31Å; C257-G259 PolarHBondContact O-N 2.89Å; G259-W262 WeakPolarHBondContact O-CB 3.19Å; G259-W262 PolarHBondContact O-N 3.41Å; G259-D263 WeakPolarHBondContact O-CB 3.02Å; G259-D263 PolarHBondContact O-N 3.11Å
260M75.4Confident74Confident23 Ų2335.5 Ų35.511%0.11317%0.172CC..Hα-helixtrans-63.3-43.5175.5-73.3-68.2-61.300112.6C18 Y256 C257 D263 C264C18-M260 HydrophobicContact CB-CE 4.42Å; C18-M260 HydrophobicContact CB-SD 4.4Å; C18-M260 VanDerWaalsContact SG-SD 3.66Å; Y256-M260 HydrophobicContact CD1-CG 4.16Å; Y256-M260 HydrophobicContact CE1-CG 3.72Å; Y256-M260 HydrophobicContact CE1-SD 4.31Å; Y256-M260 HydrophobicContact CE2-CG 4.42Å; Y256-M260 WeakPolarHBondContact O-CG 3.22Å; Y256-M260 PolarHBondContact O-N 3.31Å; C257-M260 WeakPolarHBondContact O-CB 3.45Å; C257-M260 PolarHBondContact O-N 3.25Å; M260-D263 PolarHBondContact O-N 3.47Å; M260-C264 WeakPolarHBondContact O-CB 3.24Å; M260-C264 PolarHBondContact O-N 3.24Å
261V76.8Confident74Confident12 Ų1238.2 Ų38.27%0.07319%0.188CC..Hα-helixtrans-66.4-40.5175.8174.50000110.5T28 M181 L193 C257 L258 C264 Y265T28-V261 HydrophobicContact CG2-CB 4.38Å; T28-V261 HydrophobicContact CG2-CG2 3.77Å; M181-V261 HydrophobicContact SD-CG2 4.49Å; L193-V261 HydrophobicContact CD2-CG1 4.41Å; C257-V261 WeakPolarHBondContact O-CG2 3.3Å; C257-V261 PolarHBondContact O-N 3.37Å; L258-V261 PolarHBondContact O-N 2.93Å; V261-C264 CarbonylContact O-C 3.49Å; V261-C264 WeakPolarHBondContact O-CB 3.45Å; V261-C264 PolarHBondContact O-N 3.25Å; V261-Y265 WeakPolarHBondContact O-CB 3.21Å; V261-Y265 PolarHBondContact O-N 3.38Å
262W78.2Confident73.5Confident55 Ų5544 Ų4421%0.20821%0.208CC..Hα-helixtrans-61.8-43.1174.9-179.2-94.2000112.1F197 L258 G259 C264 Y265 K266F197-W262 HydrophobicContact CD1-CZ3 4.39Å; F197-W262 AromaticContact CD2-CE3 3.99Å; F197-W262 HydrophobicContact CD2-CE3 3.99Å; F197-W262 HydrophobicContact CE1-CE3 4.3Å; F197-W262 HydrophobicContact CE1-CZ3 4.12Å; F197-W262 AromaticContact CE2-CE3 3.7Å; F197-W262 HydrophobicContact CE2-CE3 3.7Å; F197-W262 HydrophobicContact CE2-CZ3 4.33Å; F197-W262 HydrophobicContact CG-CE3 4.41Å; F197-W262 AromaticContact CZ-CE3 3.87Å; F197-W262 HydrophobicContact CZ-CE3 3.87Å; F197-W262 HydrophobicContact CZ-CZ3 4.08Å; L258-W262 VanDerWaalsContact O-CB 3.25Å; L258-W262 WeakPolarHBondContact O-CB 3.27Å; L258-W262 PolarHBondContact O-N 2.85Å; G259-W262 WeakPolarHBondContact O-CB 3.19Å; G259-W262 PolarHBondContact O-N 3.41Å; W262-C264 VanDerWaalsContact C-N 3.32Å; W262-C264 PolarHBondContact O-N 2.87Å; W262-Y265 HydrophobicContact CE3-CD1 4.44Å; W262-Y265 HydrophobicContact CZ3-CD1 4.4Å; W262-Y265 WeakPolarHBondContact O-CB 2.83Å; W262-Y265 PolarHBondContact O-N 3.44Å; W262-K266 WeakPolarHBondContact O-CB 2.99Å; W262-K266 PolarHBondContact O-N 2.83Å
263D74.4Confident72.8Confident32 Ų3248.3 Ų48.317%0.17121%0.214CC..Hα-helixtrans-66-36.5175.7-69.2-22.7000111.6V24 G259 M260 K266 Y267 R296V24-D263 HydrophobicContact CG1-CB 4.28Å; G259-D263 WeakPolarHBondContact O-CB 3.02Å; G259-D263 PolarHBondContact O-N 3.11Å; M260-D263 PolarHBondContact O-N 3.47Å; D263-K266 PolarHBondContact O-N 3.24Å; D263-Y267 VanDerWaalsContact O-CB 3.3Å; D263-Y267 WeakPolarHBondContact O-CB 3.47Å; D263-Y267 PolarHBondContact O-N 3.33Å; D263-R296 IonicContact OD1-CZ 3.32Å; D263-R296 VanDerWaalsContact OD1-CZ 3.32Å; D263-R296 IonicContact OD1-NH1 2.65Å; D263-R296 PolarHBondContact OD1-NH1 3.16Å; D263-R296 IonicContact OD1-NH2 3.71Å; D263-R296 IonicContact OD2-CZ 3.61Å; D263-R296 IonicContact OD2-NE 3.96Å; D263-R296 IonicContact OD2-NH1 2.74Å; D263-R296 PolarHBondContact OD2-NH1 3.12Å
264C75.2Confident72.2Confident2 Ų246.7 Ų46.71%0.01422%0.223CC..Hα-helixtrans-64.7-42.8171.6-1720000111.9V24 T28 M260 V261 W262 Y267 L268V24-C264 HydrophobicContact CB-CB 4.3Å; V24-C264 HydrophobicContact CG2-CB 4.19Å; T28-C264 HydrophobicContact CG2-CB 3.9Å; M260-C264 WeakPolarHBondContact O-CB 3.24Å; M260-C264 PolarHBondContact O-N 3.24Å; V261-C264 CarbonylContact O-C 3.49Å; V261-C264 WeakPolarHBondContact O-CB 3.45Å; V261-C264 PolarHBondContact O-N 3.25Å; W262-C264 VanDerWaalsContact C-N 3.32Å; W262-C264 PolarHBondContact O-N 2.87Å; C264-Y267 PolarHBondContact O-N 3.17Å; C264-L268 WeakPolarHBondContact O-CB 3.35Å; C264-L268 WeakPolarHBondContact O-CG 2.95Å; C264-L268 PolarHBondContact O-N 3.36Å
265Y73.3Confident71.3Confident34 Ų3453 Ų5313%0.13326%0.258CS..Hα-helixtrans-60.2-48.5173.8170-100.7000111P190 L193 V261 W262 Y267 L268 M269P190-Y265 HydrophobicContact CB-CD2 3.98Å; P190-Y265 HydrophobicContact CB-CE2 3.86Å; P190-Y265 VanDerWaalsContact O-CE2 3.31Å; P190-Y265 WeakPolarHBondContact O-CE2 3.35Å; L193-Y265 HydrophobicContact CB-CD2 3.96Å; L193-Y265 HydrophobicContact CD1-CD2 4.45Å; V261-Y265 WeakPolarHBondContact O-CB 3.21Å; V261-Y265 PolarHBondContact O-N 3.38Å; W262-Y265 HydrophobicContact CE3-CD1 4.44Å; W262-Y265 HydrophobicContact CZ3-CD1 4.4Å; W262-Y265 WeakPolarHBondContact O-CB 2.83Å; W262-Y265 PolarHBondContact O-N 3.44Å; Y265-Y267 VanDerWaalsContact C-N 3.35Å; Y265-Y267 PolarHBondContact O-N 3.28Å; Y265-L268 PolarHBondContact O-N 3.46Å; Y265-M269 HydrophobicContact CE1-CE 4.15Å; Y265-M269 HydrophobicContact CE1-SD 3.88Å; Y265-M269 VanDerWaalsContact O-CB 3.23Å; Y265-M269 WeakPolarHBondContact O-CB 3.25Å; Y265-M269 PolarHBondContact O-N 3.43Å
266K70.9Confident70.4Confident55 Ų5557.6 Ų57.624%0.23928%0.281CS..Hα-helixtrans-59.4-45.3176.6-172.7-173.2173.2-174.20111.2W262 D263 M269 L270 Y281W262-K266 WeakPolarHBondContact O-CB 2.99Å; W262-K266 PolarHBondContact O-N 2.83Å; D263-K266 PolarHBondContact O-N 3.24Å; K266-M269 PolarHBondContact O-N 2.89Å; K266-L270 HydrophobicContact CG-CD1 3.99Å; K266-L270 WeakPolarHBondContact O-CB 3.25Å; K266-L270 WeakPolarHBondContact O-CG 3.33Å; K266-L270 PolarHBondContact O-N 2.92Å; K266-Y281 HydrophobicContact CD-CE2 3.65Å; K266-Y281 VanDerWaalsContact CE-CZ 3.49Å; K266-Y281 HydrophobicContact CG-CE2 4.42Å; K266-Y281 VanDerWaalsContact NZ-CE2 3.26Å; K266-Y281 PolarHBondContact NZ-OH 2.92Å
267Y69.2Low69.3Low48 Ų4853.6 Ų53.619%0.18827%0.266CS..Hα-helixtrans-59.8-47.1176.8172.8-107.8000112.6F16 H23 V24 D263 C264 Y265 M269 L270 N271F16-Y267 HydrophobicContact CB-CD2 3.56Å; F16-Y267 HydrophobicContact CB-CE2 3.62Å; F16-Y267 HydrophobicContact CB-CG 4.42Å; F16-Y267 AromaticContact CD1-CD2 3.24Å; F16-Y267 HydrophobicContact CD1-CD2 3.24Å; F16-Y267 AromaticContact CD1-CE2 4Å; F16-Y267 HydrophobicContact CD1-CE2 4Å; F16-Y267 HydrophobicContact CD1-CG 4.1Å; F16-Y267 AromaticContact CD2-CD2 3.57Å; F16-Y267 HydrophobicContact CD2-CD2 3.57Å; F16-Y267 AromaticContact CD2-CE2 3.42Å; F16-Y267 HydrophobicContact CD2-CE2 3.42Å; F16-Y267 VanDerWaalsContact CD2-CE2 3.42Å; F16-Y267 AromaticContact CE1-CD2 3.66Å; F16-Y267 HydrophobicContact CE1-CD2 3.66Å; F16-Y267 HydrophobicContact CE1-CE2 4.46Å; F16-Y267 AromaticContact CE2-CD2 3.96Å; F16-Y267 HydrophobicContact CE2-CD2 3.96Å; F16-Y267 AromaticContact CE2-CE2 3.97Å; F16-Y267 HydrophobicContact CE2-CE2 3.97Å; F16-Y267 AromaticContact CG-CD2 3.15Å; F16-Y267 HydrophobicContact CG-CD2 3.15Å; F16-Y267 AromaticContact CG-CE2 3.4Å; F16-Y267 HydrophobicContact CG-CE2 3.4Å; F16-Y267 HydrophobicContact CG-CG 4.25Å; F16-Y267 AromaticContact CZ-CD2 3.99Å; F16-Y267 HydrophobicContact CZ-CD2 3.99Å; F16-Y267 HydrophobicContact CZ-CE2 4.44Å; H23-Y267 AromaticContact CE1-CD1 3.89Å; H23-Y267 AromaticContact CE1-CE1 3.19Å; H23-Y267 WeakPolarHBondContact CE1-CE1 3.36Å; H23-Y267 AromaticContact CE1-CZ 3.74Å; H23-Y267 AromaticContact NE2-CD1 3.79Å; H23-Y267 AromaticContact NE2-CE1 3.02Å; H23-Y267 WeakPolarHBondContact NE2-CE1 3.08Å; H23-Y267 AromaticContact NE2-CE2 3.97Å; H23-Y267 AromaticContact NE2-CZ 3.09Å; H23-Y267 PolarHBondContact NE2-OH 3.23Å; V24-Y267 HydrophobicContact CG2-CD1 4.29Å; V24-Y267 HydrophobicContact CG2-CG 4.24Å; D263-Y267 VanDerWaalsContact O-CB 3.3Å; D263-Y267 WeakPolarHBondContact O-CB 3.47Å; D263-Y267 PolarHBondContact O-N 3.33Å; C264-Y267 PolarHBondContact O-N 3.17Å; Y265-Y267 VanDerWaalsContact C-N 3.35Å; Y265-Y267 PolarHBondContact O-N 3.28Å; Y267-M269 VanDerWaalsContact C-N 3.31Å; Y267-M269 PolarHBondContact O-N 3.07Å; Y267-L270 PolarHBondContact O-N 2.85Å; Y267-N271 PolarHBondContact O-N 2.96Å
268L69.4Low68.4Low13 Ų1360 Ų607%0.06830%0.3CS..Hα-helixtrans-66.5-35177.5-72.2170.2000112.1P190 L193 C264 Y265 R272P190-L268 HydrophobicContact CB-CB 4.33Å; L193-L268 HydrophobicContact CD1-CD1 3.68Å; C264-L268 WeakPolarHBondContact O-CB 3.35Å; C264-L268 WeakPolarHBondContact O-CG 2.95Å; C264-L268 PolarHBondContact O-N 3.36Å; Y265-L268 PolarHBondContact O-N 3.46Å; L268-R272 PolarHBondContact O-N 3.3Å
269M69.3Low67.4Low31 Ų3166.9 Ų66.915%0.15334%0.337CS..Hα-helixtrans-68.7-42.2177.5-166.9175.36200111.4Y265 K266 Y267 R272 R273 L277 W280Y265-M269 HydrophobicContact CE1-CE 4.15Å; Y265-M269 HydrophobicContact CE1-SD 3.88Å; Y265-M269 VanDerWaalsContact O-CB 3.23Å; Y265-M269 WeakPolarHBondContact O-CB 3.25Å; Y265-M269 PolarHBondContact O-N 3.43Å; K266-M269 PolarHBondContact O-N 2.89Å; Y267-M269 VanDerWaalsContact C-N 3.31Å; Y267-M269 PolarHBondContact O-N 3.07Å; M269-R272 PolarHBondContact O-N 2.92Å; M269-R273 PolarHBondContact O-N 3.32Å; M269-R273 VanDerWaalsContact O-N 3.13Å; M269-L277 HydrophobicContact CB-CD1 4.44Å; M269-L277 HydrophobicContact CE-CD1 4.13Å; M269-L277 HydrophobicContact CE-CD2 4.17Å; M269-L277 HydrophobicContact CG-CD1 3.6Å; M269-L277 HydrophobicContact SD-CD1 4.28Å; M269-L277 HydrophobicContact SD-CD2 4.41Å; M269-W280 HydrophobicContact CE-CZ3 4.47Å
270L66.2Low66.2Low47 Ų4772.1 Ų72.125%0.24636%0.355CS..Hα-helixtrans-62.9-43.2173.7-75.3164.1000111.8F16 K266 Y267 R272 R273 G274 L277F16-L270 HydrophobicContact CE1-CD1 3.56Å; F16-L270 HydrophobicContact CZ-CB 4.33Å; F16-L270 HydrophobicContact CZ-CD1 3.71Å; K266-L270 HydrophobicContact CG-CD1 3.99Å; K266-L270 WeakPolarHBondContact O-CB 3.25Å; K266-L270 WeakPolarHBondContact O-CG 3.33Å; K266-L270 PolarHBondContact O-N 2.92Å; Y267-L270 PolarHBondContact O-N 2.85Å; L270-R272 PolarHBondContact O-N 2.95Å; L270-R273 PolarHBondContact O-N 3.25Å; L270-G274 VanDerWaalsContact O-CA 3.3Å; L270-G274 WeakPolarHBondContact O-CA 3.37Å; L270-G274 PolarHBondContact O-N 3.24Å; L270-L277 HydrophobicContact CD2-CB 4.36Å
271N68.9Low65Low128 Ų12876.3 Ų76.368%0.68437%0.371SS*.Hα-helixtrans-66.8-22178.1-165.894.8000113.2Y267Y267-N271 PolarHBondContact O-N 2.96Å
272R64.3Low63.9Low150 Ų15079.7 Ų79.757%0.56640%0.395SS*.Hα-helixtrans-91.4-25.2180-156.5179.4-154.2-171.67113.4L268 M269 L270L268-R272 PolarHBondContact O-N 3.3Å; M269-R272 PolarHBondContact O-N 2.92Å; L270-R272 PolarHBondContact O-N 2.95Å
273R63.2Low62.6Low142 Ų14284.2 Ų84.254%0.53642%0.423SS..SBendtrans-132.746.7-170.6-165.8166.1-177.2167.80.4110.5M269 L270 N275 L276 L277M269-R273 PolarHBondContact O-N 3.32Å; M269-R273 VanDerWaalsContact O-N 3.13Å; L270-R273 PolarHBondContact O-N 3.25Å; R273-N275 PolarHBondContact O-N 3.48Å; R273-L276 HydrophobicContact CG-CB 3.98Å; R273-L276 PolarHBondContact O-N 3.47Å; R273-L276 VanDerWaalsContact O-N 3.14Å; R273-L277 HydrophobicContact CB-CD1 3.75Å; R273-L277 HydrophobicContact CB-CG 4.28Å; R273-L277 HydrophobicContact CG-CD1 4.16Å; R273-L277 HydrophobicContact CG-CG 4.15Å
274G59.6Low61.6Low58 Ų5888.5 Ų88.560%0.59844%0.442SS*.THydrogen-bonded Turntrans-54-2.1-163.700000118.7L270L270-G274 VanDerWaalsContact O-CA 3.3Å; L270-G274 WeakPolarHBondContact O-CA 3.37Å; L270-G274 PolarHBondContact O-N 3.24Å
275N56.9Low60.4Low167 Ų16794.4 Ų94.489%0.89346%0.464SS*.THydrogen-bonded Turntrans-138.76.4-178.7-64.7-32.7000114.8R273R273-N275 PolarHBondContact O-N 3.48Å
276L57.9Low59.3Low107 Ų10794.6 Ų94.656%0.5648%0.476SS*.SBendtrans-131.820.1-169.6-155.2127.2000114.6R273R273-L276 HydrophobicContact CG-CB 3.98Å; R273-L276 PolarHBondContact O-N 3.47Å; R273-L276 VanDerWaalsContact O-N 3.14Å
277L55.4Low58.6Low12 Ų1299.9 Ų99.96%0.06350%0.501CS..  trans-121.9-2-173.6-82169.1000115.4M269 L270 R273 D279 W280 Y281M269-L277 HydrophobicContact CB-CD1 4.44Å; M269-L277 HydrophobicContact CE-CD1 4.13Å; M269-L277 HydrophobicContact CE-CD2 4.17Å; M269-L277 HydrophobicContact CG-CD1 3.6Å; M269-L277 HydrophobicContact SD-CD1 4.28Å; M269-L277 HydrophobicContact SD-CD2 4.41Å; L270-L277 HydrophobicContact CD2-CB 4.36Å; R273-L277 HydrophobicContact CB-CD1 3.75Å; R273-L277 HydrophobicContact CB-CG 4.28Å; R273-L277 HydrophobicContact CG-CD1 4.16Å; R273-L277 HydrophobicContact CG-CG 4.15Å; L277-D279 PolarHBondContact O-N 3.32Å; L277-W280 HydrophobicContact CD2-CB 3.95Å; L277-W280 HydrophobicContact CD2-CE3 4.44Å; L277-Y281 WeakPolarHBondContact O-CB 3.3Å; L277-Y281 PolarHBondContact O-N 2.79Å
278D56.2Low57.9Low139 Ų139100.6 Ų100.674%0.74351%0.508SS*.THydrogen-bonded Turntrans-65-31.9168.7-70.6-41.4000110.9
279D56.4Low57.2Low146 Ų146102.1 Ų102.178%0.78152%0.52SS*.THydrogen-bonded Turntrans-72.3-38.7176.4-92.5-9.8000113.9L277 Y281L277-D279 PolarHBondContact O-N 3.32Å; D279-Y281 VanDerWaalsContact C-N 3.26Å; D279-Y281 PolarHBondContact O-N 3.37Å
280W52Low56.8Low113 Ų113104.8 Ų104.843%0.42854%0.538SS..Hα-helixtrans-78.9-13.6-177.2-159.667.9000112.8M269 L277 W285M269-W280 HydrophobicContact CE-CZ3 4.47Å; L277-W280 HydrophobicContact CD2-CB 3.95Å; L277-W280 HydrophobicContact CD2-CE3 4.44Å; W280-W285 AromaticContact CH2-NE1 3.91Å
281Y52.2Low56.7Low111 Ų111107.8 Ų107.844%0.43555%0.549SS..Hα-helixtrans-84.4-17.6-171.4-163.5-100.3000114.2K266 L277 D279K266-Y281 HydrophobicContact CD-CE2 3.65Å; K266-Y281 VanDerWaalsContact CE-CZ 3.49Å; K266-Y281 HydrophobicContact CG-CE2 4.42Å; K266-Y281 VanDerWaalsContact NZ-CE2 3.26Å; K266-Y281 PolarHBondContact NZ-OH 2.92Å; L277-Y281 WeakPolarHBondContact O-CB 3.3Å; L277-Y281 PolarHBondContact O-N 2.79Å; D279-Y281 VanDerWaalsContact C-N 3.26Å; D279-Y281 PolarHBondContact O-N 3.37Å
282S52.5Low56.3Low84 Ų84102.6 Ų102.659%0.58752%0.52SS*.Hα-helixtrans-95.3-30-172.6-62.30000114.3
283D51.6Low56Low149 Ų14998.1 Ų98.180%0.79751%0.512SS*.Hα-helixtrans-111.6-15.1-157.9-64.2-21.9000116.5
284Q53.6Low56Low123 Ų12397.6 Ų97.658%0.57552%0.519SS*.SBendtrans-111-18.2-167-156.5164.58.500116.1
285W49.6Very low55.8Low126 Ų12699 Ų9948%0.47751%0.512SS..  trans-138.626.2-175.1-61.897000114.7W280 H287 L288 S289W280-W285 AromaticContact CH2-NE1 3.91Å; W285-H287 PolarHBondContact O-N 3.5Å; W285-L288 HydrophobicContact CD2-CD1 4.24Å; W285-L288 HydrophobicContact CE3-CD1 3.35Å; W285-L288 HydrophobicContact CE3-CG 4.1Å; W285-L288 HydrophobicContact CZ3-CD1 3.77Å; W285-L288 PolarHBondContact O-N 3.38Å; W285-S289 PolarHBondContact O-N 2.82Å
286G49.5Very low55.7Low37 Ų3794.7 Ų94.738%0.38148%0.484SS..Hα-helixtrans-51.4-29.2-178.200000114.8S289 T290G286-S289 WeakPolarHBondContact CA-OG 3.45Å; G286-S289 PolarHBondContact O-OG 2.87Å; G286-T290 PolarHBondContact O-N 3.46Å; G286-T290 PolarHBondContact O-OG1 3.37Å
287H55.9Low55.4Low166 Ų16692.6 Ų92.677%0.76948%0.481SS*.Hα-helixtrans-72.2-38.3177.3-153.8-87.7000112.9W285 F291W285-H287 PolarHBondContact O-N 3.5Å; H287-F291 PolarHBondContact O-N 3.16Å
288L54.8Low55.1Low63 Ų6395.4 Ų95.433%0.3351%0.514SS..Hα-helixtrans-75-36.8174.8-65.7-178.1000111W285 T290 F291 W292W285-L288 HydrophobicContact CD2-CD1 4.24Å; W285-L288 HydrophobicContact CE3-CD1 3.35Å; W285-L288 HydrophobicContact CE3-CG 4.1Å; W285-L288 HydrophobicContact CZ3-CD1 3.77Å; W285-L288 PolarHBondContact O-N 3.38Å; L288-T290 PolarHBondContact O-N 3.38Å; L288-F291 PolarHBondContact O-N 3.17Å; L288-W292 WeakPolarHBondContact O-CB 3.23Å; L288-W292 PolarHBondContact O-N 3.03Å
289S55.2Low54.7Low46 Ų4695.8 Ų95.832%0.32251%0.505SS..Hα-helixtrans-61.1-37.9176.181.10000110.7W285 G286 S293W285-S289 PolarHBondContact O-N 2.82Å; G286-S289 WeakPolarHBondContact CA-OG 3.45Å; G286-S289 PolarHBondContact O-OG 2.87Å; S289-S293 WeakPolarHBondContact O-CA 3.37Å; S289-S293 WeakPolarHBondContact O-CB 3.43Å; S289-S293 PolarHBondContact O-N 3.28Å; S289-S293 PolarHBondContact O-OG 3.43Å
290T60.5Low54.1Low86 Ų8696.2 Ų96.253%0.52851%0.507SS..Hα-helixtrans-67-45.8176.4-50.30000111.5G286 L288 W292 S293 L294G286-T290 PolarHBondContact O-N 3.46Å; G286-T290 PolarHBondContact O-OG1 3.37Å; L288-T290 PolarHBondContact O-N 3.38Å; T290-W292 PolarHBondContact O-N 3.38Å; T290-S293 PolarHBondContact O-N 3.4Å; T290-L294 VanDerWaalsContact O-CB 3.27Å; T290-L294 WeakPolarHBondContact O-CB 3.35Å; T290-L294 PolarHBondContact O-N 3.13Å
291F64Low53.5Low110 Ų110102.7 Ų102.748%0.48253%0.531SS..Hα-helixtrans-57.5-49.4176.2175.7-102000111.9H287 L288 L294 L295H287-F291 PolarHBondContact O-N 3.16Å; L288-F291 PolarHBondContact O-N 3.17Å; F291-L294 PolarHBondContact O-N 3.25Å; F291-L295 HydrophobicContact CD1-CD1 3.85Å; F291-L295 HydrophobicContact CD2-CD1 4.37Å; F291-L295 HydrophobicContact CE1-CD1 3.38Å; F291-L295 HydrophobicContact CE2-CD1 3.96Å; F291-L295 HydrophobicContact CG-CD1 4.33Å; F291-L295 HydrophobicContact CZ-CD1 3.45Å; F291-L295 VanDerWaalsContact CZ-CD1 3.45Å; F291-L295 PolarHBondContact O-N 2.84Å; F291-L295 VanDerWaalsContact O-N 3.07Å
292W61.3Low52.7Low19 Ų19100.6 Ų100.67%0.07254%0.544CS..Hα-helixtrans-72.1-32.3178.8-70.9116000113.1A255 L258 L288 T290 L295 R296A255-W292 HydrophobicContact CB-CH2 4.2Å; A255-W292 HydrophobicContact CB-CZ3 4.41Å; A255-W292 WeakPolarHBondContact O-CH2 3.31Å; A255-W292 WeakPolarHBondContact O-CZ3 3.32Å; L258-W292 HydrophobicContact CB-CH2 3.53Å; L258-W292 HydrophobicContact CB-CZ2 3.9Å; L288-W292 WeakPolarHBondContact O-CB 3.23Å; L288-W292 PolarHBondContact O-N 3.03Å; T290-W292 PolarHBondContact O-N 3.38Å; W292-L295 HydrophobicContact CE3-CD1 4Å; W292-L295 HydrophobicContact CZ3-CD1 3.99Å; W292-R296 WeakPolarHBondContact O-CB 3.36Å; W292-R296 WeakPolarHBondContact O-CG 3.37Å; W292-R296 PolarHBondContact O-N 3.3Å; W292-R296 PolarHBondContact O-NE 3.4Å
293S58.3Low51.9Low56 Ų56103.8 Ų103.839%0.39255%0.554SS.*Hα-helixtrans-70.3-35.2174.6-62.30000111.2S289 T290 R296 A297S289-S293 WeakPolarHBondContact O-CA 3.37Å; S289-S293 WeakPolarHBondContact O-CB 3.43Å; S289-S293 PolarHBondContact O-N 3.28Å; S289-S293 PolarHBondContact O-OG 3.43Å; T290-S293 PolarHBondContact O-N 3.4Å; S293-R296 CarbonylContact O-C 3.55Å; S293-R296 PolarHBondContact O-N 3.25Å; S293-A297 WeakPolarHBondContact O-CA 3.32Å; S293-A297 WeakPolarHBondContact O-CB 3.26Å; S293-A297 PolarHBondContact O-N 2.88Å
294L61.7Low51.4Low132 Ų132104.1 Ų104.169%0.69156%0.556SS**Hα-helixtrans-68.1-43.2175.1-163.3156.9000110.6T290 F291 R296 A297T290-L294 VanDerWaalsContact O-CB 3.27Å; T290-L294 WeakPolarHBondContact O-CB 3.35Å; T290-L294 PolarHBondContact O-N 3.13Å; F291-L294 PolarHBondContact O-N 3.25Å; L294-R296 VanDerWaalsContact C-N 3.29Å; L294-R296 PolarHBondContact O-N 3.29Å; L294-A297 PolarHBondContact O-N 3.47Å
295L56.8Low50.6Low86 Ų86103.6 Ų103.645%0.4557%0.566SS.*Hα-helixtrans-63.5-31.8172.3-78159.6000112.9F291 W292F291-L295 HydrophobicContact CD1-CD1 3.85Å; F291-L295 HydrophobicContact CD2-CD1 4.37Å; F291-L295 HydrophobicContact CE1-CD1 3.38Å; F291-L295 HydrophobicContact CE2-CD1 3.96Å; F291-L295 HydrophobicContact CG-CD1 4.33Å; F291-L295 HydrophobicContact CZ-CD1 3.45Å; F291-L295 VanDerWaalsContact CZ-CD1 3.45Å; F291-L295 PolarHBondContact O-N 2.84Å; F291-L295 VanDerWaalsContact O-N 3.07Å; W292-L295 HydrophobicContact CE3-CD1 4Å; W292-L295 HydrophobicContact CZ3-CD1 3.99Å
296R54.5Low50.1Low78 Ų78105.3 Ų105.329%0.29458%0.582SS.*Hα-helixtrans-83.6-25.6173.1-78.9-173.6-74.3-106.84114.2D263 W292 S293 L294 G298 R299D263-R296 IonicContact OD1-CZ 3.32Å; D263-R296 VanDerWaalsContact OD1-CZ 3.32Å; D263-R296 IonicContact OD1-NH1 2.65Å; D263-R296 PolarHBondContact OD1-NH1 3.16Å; D263-R296 IonicContact OD1-NH2 3.71Å; D263-R296 IonicContact OD2-CZ 3.61Å; D263-R296 IonicContact OD2-NE 3.96Å; D263-R296 IonicContact OD2-NH1 2.74Å; D263-R296 PolarHBondContact OD2-NH1 3.12Å; W292-R296 WeakPolarHBondContact O-CB 3.36Å; W292-R296 WeakPolarHBondContact O-CG 3.37Å; W292-R296 PolarHBondContact O-N 3.3Å; W292-R296 PolarHBondContact O-NE 3.4Å; S293-R296 CarbonylContact O-C 3.55Å; S293-R296 PolarHBondContact O-N 3.25Å; L294-R296 VanDerWaalsContact C-N 3.29Å; L294-R296 PolarHBondContact O-N 3.29Å; R296-G298 PolarHBondContact O-N 3.32Å; R296-G298 VanDerWaalsContact O-N 3.1Å; R296-R299 PolarHBondContact O-N 3.21Å
297A51.3Low49.7Very low62 Ų62106.6 Ų106.651%0.51260%0.596SS.*Hα-helixtrans-65.3-16.1-176.300000112.5S293 L294 R299S293-A297 WeakPolarHBondContact O-CA 3.32Å; S293-A297 WeakPolarHBondContact O-CB 3.26Å; S293-A297 PolarHBondContact O-N 2.88Å; L294-A297 PolarHBondContact O-N 3.47Å; A297-R299 PolarHBondContact O-N 2.93Å
298G49.4Very low48.8Very low72 Ų72106 Ų10674%0.74260%0.598SS**THydrogen-bonded Turntrans-66.9-12.2170.700000115.4R296R296-G298 PolarHBondContact O-N 3.32Å; R296-G298 VanDerWaalsContact O-N 3.1Å
299R48.2Very low48.1Very low146 Ų146107.9 Ų107.955%0.55162%0.617SS**THydrogen-bonded Turntrans-115.4-3.2-175.6-67.9-17887.71383115.9C19 R296 A297C19-R299 VanDerWaalsContact CB-NH2 3.27Å; C19-R299 PolarHBondContact SG-NE 3.27Å; R296-R299 PolarHBondContact O-N 3.21Å; A297-R299 PolarHBondContact O-N 2.93Å
300N42.7Very low47.3Very low155 Ų155109.4 Ų109.483%0.82964%0.64SS**  trans-127.737.5-176.1-113.27.5000114.1G302N300-G302 PolarHBondContact O-N 3.04Å
301R39.6Very low46.2Very low250 Ų250110.9 Ų110.994%0.94365%0.654SS**  trans-97.176.3166.9-159.6179.1-167.2-171.33.5109
302G35.1Very low45.1Very low67 Ų67110.2 Ų110.269%0.69166%0.661SS**  trans-16844.9-173.700000114.8N300N300-G302 PolarHBondContact O-N 3.04Å
303N36.6Very low44.3Very low151 Ų151116.6 Ų116.681%0.80770%0.696SS**  trans-170.275.8145.2-122.7-6.5000111.4
304N40.5Very low43.4Very low155 Ų155122.9 Ų122.983%0.82972%0.719SS**  trans-101.295.6153.8-74.9-7.5000106.1I306N304-I306 VanDerWaalsContact C-N 3.27Å; N304-I306 PolarHBondContact O-N 2.89Å
305S38.3Very low42.3Very low112 Ų112121.7 Ų121.778%0.78372%0.719SS**  trans-77.185.5166.571.80000108.5
306I37.8Very low41.6Very low162 Ų162124.8 Ų124.883%0.83174%0.737SS**  trans-89.491.7154.9-66.4169.6000104.9N304N304-I306 VanDerWaalsContact C-N 3.27Å; N304-I306 PolarHBondContact O-N 2.89Å
307G40.7Very low41Very low65 Ų65127.6 Ų127.667%0.6776%0.763SS**  trans-130.393.5168.300000106.1
308N37.1Very low40.4Very low153 Ų153135.8 Ų135.882%0.81878%0.78SS**  96.9131.486.8-164.736000110.6
309S41.2Very low40.3Very low102 Ų102138.1 Ų138.171%0.71378%0.782SS**  trans-58.6154.2-17649.80000115.5
310G38.3Very low39.7Very low79 Ų79141.3 Ų141.381%0.81479%0.794SS**  trans123.793.114200000115.4
311S37.8Very low40Very low116 Ų116139.6 Ų139.681%0.81179%0.791SS**  -176.1120.1129.1-167.20000109.5
312P40.4Very low40.3Very low97 Ų97135.6 Ų135.663%0.6378%0.783SS**  trans-85.7156.5167.734-28.3000110.5
313N45.2Very low41Very low153 Ų153136.7 Ų136.782%0.81878%0.778SS**  trans94.485.3165.6-41.1-36.7000116.4
314E38.8Very low41.7Very low187 Ų187137.7 Ų137.787%0.87478%0.782SS**  -162.5123.2127.1-141.3174.7101.300110
315P38.8Very low42Very low107 Ų107136 Ų13670%0.69578%0.777SS**  trans-94.6124.4-179.933.7-25.5000109.7
316N42.2Very low42.5Very low152 Ų152138.4 Ų138.481%0.81377%0.771SS**  trans-166.9104.5149.5-90.2-43000111.2
317T41.4Very low43.2Very low137 Ų137135.2 Ų135.284%0.8476%0.755SS**  trans53.788.9143.7-34.10000118.4
318R38.9Very low44.6Very low233 Ų233136 Ų13688%0.87975%0.749SS**  trans-127.5133.2158.4-142.7-176.4-124.9-139.53.9109.1R320R318-R320 PolarHBondContact O-N 2.76Å
319P46Very low45.7Very low121 Ų121132.5 Ų132.579%0.78674%0.741SS**PPolyproline II helixtrans-63.6131.1173.6-15.829000110.1
320R35.5Very low46.5Very low214 Ų214134.6 Ų134.681%0.80874%0.744SS**PPolyproline II helixtrans-64.4139.3174.2-172.2-179.3-165.1-119.75.1109.8R318 E322R318-R320 PolarHBondContact O-N 2.76Å; R320-E322 PolarHBondContact O-N 2.85Å
321P50Low47.5Very low118 Ų118135.4 Ų135.477%0.76673%0.729SS**PPolyproline II helixtrans-68124.5168.2-8.724.4000109.1
322E45.4Very low48.6Very low166 Ų166137.6 Ų137.678%0.77673%0.731SS**PPolyproline II helixtrans-58.7143167.6-74.9-79.9146.300110.2R320R320-E322 PolarHBondContact O-N 2.85Å
323P50.1Low49.6Very low90 Ų90136.8 Ų136.858%0.58473%0.726SS**PPolyproline II helixtrans-64.6137.3172.328.4-30.9000109.6T325P323-T325 PolarHBondContact O-N 3.11Å
324I51.9Low50.4Low173 Ų173135.6 Ų135.689%0.88771%0.713SS**  trans-58.6107.2176.5-56.5176.4000108Y326I324-Y326 PolarHBondContact O-N 3.27Å
325T46.1Very low51.4Low118 Ų118135 Ų13572%0.72471%0.705SS**  trans-74.7119.8169-66.90000107.1P323 D327P323-T325 PolarHBondContact O-N 3.11Å; T325-D327 PolarHBondContact O-N 3.08Å; T325-D327 VanDerWaalsContact O-N 3.16Å
326Y48.2Very low53.1Low164 Ų164134.3 Ų134.364%0.64369%0.692SS**  trans-62.3112.5169.8175.8-103.2000108I324 P328 D331I324-Y326 PolarHBondContact O-N 3.27Å; Y326-P328 HydrophobicContact CE1-CB 4.05Å; Y326-P328 VanDerWaalsContact O-CD 3.26Å; Y326-P328 WeakPolarHBondContact O-CD 3.47Å; Y326-D331 PolarHBondContact OH-OD1 3.07Å; Y326-D331 VanDerWaalsContact OH-OD1 3.08Å; Y326-D331 PolarHBondContact OH-OD2 3.49Å; Y326-D331 VanDerWaalsContact OH-OD2 3.11Å
327D54.3Low54.4Low94 Ų94130.6 Ų130.650%0.50367%0.672SS.*  trans-94.9103.9173.8-174.5-2.3000108.8T325 A329 N330T325-D327 PolarHBondContact O-N 3.08Å; T325-D327 VanDerWaalsContact O-N 3.16Å; D327-A329 PolarHBondContact O-N 3.14Å; D327-A329 WeakPolarHBondContact OD1-CB 3.16Å; D327-A329 PolarHBondContact OD1-N 3.38Å; D327-N330 PolarHBondContact O-N 2.75Å
328P68.5Low55.5Low83 Ų83128.1 Ų128.154%0.53965%0.653SS.*G310 helixtrans-64.7-4.6177.425.1-31.8000113.6Y326 N330 D331Y326-P328 HydrophobicContact CE1-CB 4.05Å; Y326-P328 VanDerWaalsContact O-CD 3.26Å; Y326-P328 WeakPolarHBondContact O-CD 3.47Å; P328-N330 PolarHBondContact O-N 2.7Å; P328-D331 PolarHBondContact O-N 3.36Å
329A61.4Low56.8Low79 Ų79122.3 Ų122.365%0.65364%0.639SS**G310 helixtrans-72.7-11.9173.400000114D327D327-A329 PolarHBondContact O-N 3.14Å; D327-A329 WeakPolarHBondContact OD1-CB 3.16Å; D327-A329 PolarHBondContact OD1-N 3.38Å
330N57.7Low58.1Low145 Ų145123.5 Ų123.578%0.77563%0.632SS**G310 helixtrans-97.77.6176.6-85.3-20.8000114.1D327 P328 L332D327-N330 PolarHBondContact O-N 2.75Å; P328-N330 PolarHBondContact O-N 2.7Å; N330-L332 PolarHBondContact O-N 3.39Å; N330-L332 VanDerWaalsContact O-N 3.13Å
331D59.2Low59.7Low96 Ų96116.7 Ų116.751%0.51361%0.611SS.*  trans-66.9114.2172.1-73.5-29.6000109.4Y326 P328Y326-D331 PolarHBondContact OH-OD1 3.07Å; Y326-D331 VanDerWaalsContact OH-OD1 3.08Å; Y326-D331 PolarHBondContact OH-OD2 3.49Å; Y326-D331 VanDerWaalsContact OH-OD2 3.11Å; P328-D331 PolarHBondContact O-N 3.36Å
332L60.8Low60.9Low162 Ų162115 Ų11585%0.84860%0.6SS**PPolyproline II helixtrans-52.1131.3175.9-160.970.7000109N330 K334N330-L332 PolarHBondContact O-N 3.39Å; N330-L332 VanDerWaalsContact O-N 3.13Å; L332-K334 PolarHBondContact O-N 3.4Å
333P62.1Low61.7Low80 Ų80112.7 Ų112.752%0.51961%0.609SS.*PPolyproline II helixtrans-55.2132.1-172.717-28.5000110.8Y335 I338P333-Y335 PolarHBondContact O-N 2.83Å; P333-I338 HydrophobicContact CB-CG1 4.46Å; P333-I338 HydrophobicContact CG-CD1 4.28Å; P333-I338 HydrophobicContact CG-CG1 4.41Å; P333-I338 WeakPolarHBondContact O-CD1 3.11Å
334K61.7Low62.5Low128 Ų128114 Ų11456%0.55761%0.611SS**PPolyproline II helixtrans-54.5134-179.7-155.1169174.2-151.70108.8L332 E336 D337L332-K334 PolarHBondContact O-N 3.4Å; K334-E336 HydrophobicContact CB-CG 4.05Å; K334-E336 HydrophobicContact CD-CG 4.05Å; K334-E336 VanDerWaalsContact CD-OE1 3.22Å; K334-E336 WeakPolarHBondContact CD-OE1 3.49Å; K334-E336 WeakPolarHBondContact CE-OE1 3.17Å; K334-E336 WeakPolarHBondContact CE-OE2 3.47Å; K334-E336 HydrophobicContact CG-CG 3.85Å; K334-E336 IonicContact NZ-OE1 3.8Å; K334-E336 PolarHBondContact NZ-OE1 2.96Å; K334-E336 IonicContact NZ-OE2 2.7Å; K334-E336 PolarHBondContact NZ-OE2 3.13Å; K334-E336 PolarHBondContact O-N 3.27Å; K334-D337 PolarHBondContact O-N 3.26Å
335Y60Low63.1Low175 Ų175108.5 Ų108.569%0.68659%0.591SS**Hα-helixtrans-49.9-32.8-174.3179.2-104.3000113.6P333 D337 I338 L339P333-Y335 PolarHBondContact O-N 2.83Å; Y335-D337 VanDerWaalsContact C-N 3.27Å; Y335-D337 PolarHBondContact O-N 3.31Å; Y335-I338 PolarHBondContact O-N 3.33Å; Y335-L339 HydrophobicContact CD1-CD1 3.56Å; Y335-L339 HydrophobicContact CE1-CD1 3.25Å; Y335-L339 HydrophobicContact CE1-CG 4.19Å; Y335-L339 HydrophobicContact CG-CD1 4.39Å; Y335-L339 PolarHBondContact O-N 2.97Å
336E73.2Confident63.9Low92 Ų92112.6 Ų112.643%0.4360%0.595SS.*Hα-helixtrans-63.9-22.817662.2-151.2-136.800115.3K334 K340K334-E336 HydrophobicContact CB-CG 4.05Å; K334-E336 HydrophobicContact CD-CG 4.05Å; K334-E336 VanDerWaalsContact CD-OE1 3.22Å; K334-E336 WeakPolarHBondContact CD-OE1 3.49Å; K334-E336 WeakPolarHBondContact CE-OE1 3.17Å; K334-E336 WeakPolarHBondContact CE-OE2 3.47Å; K334-E336 HydrophobicContact CG-CG 3.85Å; K334-E336 IonicContact NZ-OE1 3.8Å; K334-E336 PolarHBondContact NZ-OE1 2.96Å; K334-E336 IonicContact NZ-OE2 2.7Å; K334-E336 PolarHBondContact NZ-OE2 3.13Å; K334-E336 PolarHBondContact O-N 3.27Å; E336-K340 WeakPolarHBondContact O-CE 3.43Å; E336-K340 WeakPolarHBondContact O-CG 3.22Å
337D69.6Low64.9Low75 Ų75108.1 Ų108.140%0.40159%0.592SS.*Hα-helixtrans-89.8-27.3177.3-64.1-34.2000112.1K334 Y335 L339 K340K334-D337 PolarHBondContact O-N 3.26Å; Y335-D337 VanDerWaalsContact C-N 3.27Å; Y335-D337 PolarHBondContact O-N 3.31Å; D337-L339 VanDerWaalsContact C-N 3.29Å; D337-K340 PolarHBondContact O-N 2.84Å; D337-K340 IonicContact OD1-NZ 3.36Å; D337-K340 PolarHBondContact OD1-NZ 3.45Å
338I65Low65.5Low84 Ų84108.1 Ų108.143%0.43160%0.597SS.*Hα-helixtrans-68.2-32.7171.8-63.4156.6000110.7P333 Y335 K340 I341P333-I338 HydrophobicContact CB-CG1 4.46Å; P333-I338 HydrophobicContact CG-CD1 4.28Å; P333-I338 HydrophobicContact CG-CG1 4.41Å; P333-I338 WeakPolarHBondContact O-CD1 3.11Å; Y335-I338 PolarHBondContact O-N 3.33Å; I338-K340 VanDerWaalsContact C-N 3.31Å; I338-K340 PolarHBondContact O-N 3.31Å; I338-I341 PolarHBondContact O-N 3.45Å
339L66.9Low65.5Low112 Ų112109.2 Ų109.259%0.58660%0.604SS**THydrogen-bonded Turntrans-71.7-18.1175.6-81.9156.2000114.5Y335 D337 I341Y335-L339 HydrophobicContact CD1-CD1 3.56Å; Y335-L339 HydrophobicContact CE1-CD1 3.25Å; Y335-L339 HydrophobicContact CE1-CG 4.19Å; Y335-L339 HydrophobicContact CG-CD1 4.39Å; Y335-L339 PolarHBondContact O-N 2.97Å; D337-L339 VanDerWaalsContact C-N 3.29Å; L339-I341 VanDerWaalsContact C-N 3.34Å
340K71.6Confident65.8Low146 Ų146110.4 Ų110.464%0.63561%0.605SS**THydrogen-bonded Turntrans-85.6-9.7177.9-68.1169-1661600113E336 D337 I338 P342E336-K340 WeakPolarHBondContact O-CE 3.43Å; E336-K340 WeakPolarHBondContact O-CG 3.22Å; D337-K340 PolarHBondContact O-N 2.84Å; D337-K340 IonicContact OD1-NZ 3.36Å; D337-K340 PolarHBondContact OD1-NZ 3.45Å; I338-K340 VanDerWaalsContact C-N 3.31Å; I338-K340 PolarHBondContact O-N 3.31Å; K340-P342 WeakPolarHBondContact O-CD 3.44Å
341I69.8Low65.3Low71 Ų71113.8 Ų113.836%0.36461%0.609SS.*SBendtrans-73.7119.9-179.8-55170.5000107.6I338 L339 A343 A345 Y346I338-I341 PolarHBondContact O-N 3.45Å; L339-I341 VanDerWaalsContact C-N 3.34Å; I341-A343 PolarHBondContact O-N 2.97Å; I341-A345 HydrophobicContact CG2-CB 3.33Å; I341-Y346 HydrophobicContact CG2-CE2 4.4Å
342P75.4Confident65.2Low83 Ų83119.3 Ų119.354%0.53962%0.624SS.*  trans-61.3141.4177.226.3-33.3000109.7K340 N344 A345K340-P342 WeakPolarHBondContact O-CD 3.44Å; P342-N344 WeakPolarHBondContact CB-OD1 3.48Å; P342-N344 WeakPolarHBondContact CG-OD1 3.48Å; P342-N344 PolarHBondContact O-N 3.49Å; P342-A345 WeakPolarHBondContact O-CB 3.49Å; P342-A345 PolarHBondContact O-N 2.78Å
343A62.9Low64.6Low117 Ų117117.8 Ų117.897%0.96763%0.625SS**THydrogen-bonded Turntrans-57.9-5.8-172.300000115.4I341I341-A343 PolarHBondContact O-N 2.97Å
344N65.8Low63.7Low117 Ų117119.2 Ų119.263%0.62664%0.637SS**THydrogen-bonded Turntrans-98.5-4.3177.963.9-2.8000114.5P342 Y346 A347P342-N344 WeakPolarHBondContact CB-OD1 3.48Å; P342-N344 WeakPolarHBondContact CG-OD1 3.48Å; P342-N344 PolarHBondContact O-N 3.49Å; N344-Y346 PolarHBondContact O-N 3.29Å; N344-A347 PolarHBondContact O-N 3.2Å
345A65.8Low62.7Low58 Ų58120.3 Ų120.348%0.47965%0.649SS.*THydrogen-bonded Turntrans-68.2-18.2-173.700000114.5I341 P342I341-A345 HydrophobicContact CG2-CB 3.33Å; P342-A345 WeakPolarHBondContact O-CB 3.49Å; P342-A345 PolarHBondContact O-N 2.78Å
346Y61.9Low62Low204 Ų204118.3 Ų118.380%0.865%0.648SS**THydrogen-bonded Turntrans-120.119.6178.1-69.8-80.7000113.1I341 N344 P348I341-Y346 HydrophobicContact CG2-CE2 4.4Å; N344-Y346 PolarHBondContact O-N 3.29Å; Y346-P348 WeakPolarHBondContact O-CD 3.4Å
347A68.5Low60.3Low70 Ų70120.8 Ų120.858%0.57967%0.665SS**PPolyproline II helixtrans-62.6125.1172.800000109N344N344-A347 PolarHBondContact O-N 3.2Å
348P68Low58.8Low93 Ų93120.8 Ų120.860%0.60468%0.683SS**PPolyproline II helixtrans-60.8145.2177.124.6-32.5000109.9Y346Y346-P348 WeakPolarHBondContact O-CD 3.4Å
349P68.4Low57.3Low107 Ų107124.1 Ų124.170%0.69570%0.701SS**PPolyproline II helixtrans-59.1147178.324.2-32.8000110.8Y351P349-Y351 PolarHBondContact O-N 3.28Å
350P67.8Low56.1Low103 Ų103123.6 Ų123.667%0.66970%0.703SS**PPolyproline II helixtrans-62.4126178.925-32.4000110.4Y352P350-Y352 HydrophobicContact CG-CD2 4.46Å; P350-Y352 HydrophobicContact CG-CE2 4.23Å; P350-Y352 PolarHBondContact O-N 3.01Å
351Y47.9Very low54.3Low217 Ų217123.2 Ų123.285%0.85171%0.707SS**  trans-67.999172.6-56.6-86.3000109.2P349P349-Y351 PolarHBondContact O-N 3.28Å
352Y55.3Low52.9Low212 Ų212125.6 Ų125.683%0.83173%0.725SS**  trans-78.9117.5165.4-88.3-88.6000109P350 S354P350-Y352 HydrophobicContact CG-CD2 4.46Å; P350-Y352 HydrophobicContact CG-CE2 4.23Å; P350-Y352 PolarHBondContact O-N 3.01Å; Y352-S354 PolarHBondContact O-N 3.41Å
353C49.4Very low51.2Low129 Ų129127 Ų12787%0.87273%0.733SS**  trans-77.7113.6169.4-146.90000108.1N355C353-N355 PolarHBondContact O-N 3.26Å; C353-N355 VanDerWaalsContact O-N 3.13Å
354S44Very low50.1Low110 Ų110130.2 Ų130.277%0.76973%0.728SS**  trans-68106.4173.1-65.40000109.7Y352 I356Y352-S354 PolarHBondContact O-N 3.41Å; S354-I356 PolarHBondContact O-N 3.13Å
355N40.5Very low48.7Very low152 Ų152129.1 Ų129.181%0.81373%0.734SS**  trans-73.7109.4167.8-166.110.3000108.8C353C353-N355 PolarHBondContact O-N 3.26Å; C353-N355 VanDerWaalsContact O-N 3.13Å
356I43.7Very low47.4Very low132 Ų132132.2 Ų132.268%0.67775%0.753SS**  trans-83117.6170.4-74.5174000107.2S354S354-I356 PolarHBondContact O-N 3.13Å
357N38.2Very low45.9Very low145 Ų145127.2 Ų127.278%0.77575%0.753SS**SBendtrans98111.8163.1-54-23000117.8
358G37.6Very low44.5Very low75 Ų75130.7 Ų130.777%0.77377%0.767SS**  trans126.579.814300000117.2
359N34.8Very low42.9Very low154 Ų154131.4 Ų131.482%0.82477%0.77SS**  trans66.9131.1133.9-146.315.9000120.7
360V40.1Very low41.2Very low101 Ų101131.5 Ų131.561%0.61277%0.769SS**  trans82.398.3154-158.60000119.5
361N35.6Very low39.7Very low138 Ų138133.9 Ų133.974%0.73878%0.776SS**  trans60.8133.3130-50.6-7000122.8
362T39.9Very low39Very low121 Ų121129.7 Ų129.774%0.74277%0.773SS**  trans89.699.8139.120.70000119.4
363T38.9Very low38.1Very low112 Ų112124 Ų12469%0.68776%0.764SS**  65.7126.1122.933.90000121.9
364E41Very low37.4Very low185 Ų185124.7 Ų124.786%0.86476%0.759SS**  trans105.9112.8132.6-78.7171.2-167.100118.7
365A35Very low37Very low93 Ų93125.2 Ų125.277%0.76976%0.763SS**  trans-73.5147.3168.400000111.1
366S38.3Very low36.8Very low124 Ų124121.9 Ų121.987%0.86776%0.756SS**  trans-171.6127.6133.1-86.80000110.8
367A31.3Very low36.4Very low98 Ų98121.8 Ų121.881%0.8176%0.762SS**  trans-77.2136.9171.100000110.4
368V38.9Very low36.2Very low143 Ų143119.3 Ų119.387%0.86776%0.762SS**  trans-141.8129.4152.7176.40000110.5
369T35.2Very low36.1Very low109 Ų109119.5 Ų119.567%0.66976%0.756SS**  trans-64.5154.7-175.7-46.50000115.3
370T32.8Very low36.3Very low109 Ų109119.4 Ų119.467%0.66976%0.756SS**  trans64.4116.9146.242.30000120.6
371N35.7Very low36.2Very low152 Ų152119.7 Ų119.781%0.81376%0.758SS**  -177.2138.291.6-93.6-32.4000113.5
372T33.1Very low36.3Very low130 Ų130118.7 Ų118.780%0.79876%0.756SS**  trans-47.7137.2169.1-50.20000114
373S36.8Very low36.3Very low92 Ų92117.9 Ų117.964%0.64375%0.752SS**  157.9123.4118.163.30000113.4
374N34.6Very low36.3Very low144 Ų144118.2 Ų118.277%0.7775%0.754SS**  trans69.7131.6134.2-57.1-10.3000121.5
375S35.4Very low36.1Very low121 Ų121114.8 Ų114.885%0.84675%0.745SS**  trans74.8148.1149-53.40000115.9
376A36.2Very low36.3Very low81 Ų81115.5 Ų115.567%0.66974%0.741SS**  cis-173.6157.5-2000000103.5
377T35.3Very low36.4Very low131 Ų131116 Ų11680%0.80473%0.734SS**  trans73102144.7-46.20000119.2
378A34.6Very low36.8Very low93 Ų93117.9 Ų117.977%0.76974%0.735SS**  68.4136.7122.500000122.7
379A35.4Very low36.8Very low78 Ų78114.3 Ų114.365%0.64573%0.727SS**  trans106128.7130.600000118
380N37.8Very low37Very low153 Ų153115.2 Ų115.282%0.81873%0.733SS**  trans79.2139.6145.2-65.3-3.1000116.3
381T38.8Very low37.1Very low107 Ų107115.6 Ų115.666%0.65674%0.735SS**  cis175.4133.410.6-100.20000107
382T38Very low37.1Very low116 Ų116114.5 Ų114.571%0.71273%0.734SS**  trans74.9141.2146.3-38.50000116.1
383T38.8Very low37.3Very low105 Ų105113.7 Ų113.764%0.64473%0.734SS**  cis-175.4152.837.6-31.20000110.4
384T39Very low37.4Very low119 Ų119115.7 Ų115.773%0.7374%0.742SS**  trans67.1137.8142.537.40000120.4
385T38.2Very low37.8Very low112 Ų112116.4 Ų116.469%0.68774%0.744SS**  cis-166.8139.46.2-16.90000110.3
386T37.4Very low37.9Very low109 Ų109115.4 Ų115.467%0.66974%0.737SS**  trans40.2123.7136.953.20000124.4
387N40.3Very low37.8Very low135 Ų135117.2 Ų117.272%0.72274%0.74SS**  159.2103.9105-91.3-16000112.3
388T40.8Very low37.8Very low136 Ų136118 Ų11883%0.83474%0.738SS**  75.2121.4105.156.60000117.7
389G39Very low37.9Very low68 Ų68118.6 Ų118.670%0.70173%0.732SS**  trans150.679.415100000118.9
390T38.5Very low37.9Very low128 Ų128120.5 Ų120.579%0.78574%0.736SS**  trans32107.8135.6330000120.7
391T36.4Very low37.9Very low118 Ų118119 Ų11972%0.72473%0.732SS**  89.1126.48651.90000117.3
392T34.4Very low37.9Very low128 Ų128120.8 Ų120.879%0.78574%0.738SS**  trans69.7117.614536.80000120.9
393S37.7Very low37.9Very low113 Ų113123 Ų12379%0.7974%0.738SS**  -159.7141.211957.10000111.8
394V40Very low38Very low134 Ų134123.9 Ų123.981%0.81274%0.739SS**  trans-107.1131.5178.5-164.80000105.4
395I41.9Very low38.2Very low160 Ų160124.5 Ų124.582%0.82174%0.737SS**  trans-117.2119.7176.5-63.1177.3000109.4
396S36.7Very low38.3Very low99 Ų99125.1 Ų125.169%0.69274%0.741SS**  trans-116.8121.7167-71.90000109.1
397T34.4Very low38.5Very low119 Ų119127.7 Ų127.773%0.7375%0.746SS**  trans35.6124.3133.4-60000120.4
398L35.2Very low38.6Very low149 Ų149128.2 Ų128.278%0.7875%0.747SS**  177.2126.6110.5-117.373.6000113.5
399T36.7Very low38.8Very low104 Ų104127.9 Ų127.964%0.63874%0.74SS**  trans35.5112.7131.646.10000121
400T36.1Very low39Very low119 Ų119130.1 Ų130.173%0.7375%0.745SS**  91.2136.68557.40000116.6
401T38.2Very low39.4Very low120 Ų120128.5 Ų128.574%0.73674%0.744SS**  trans89.4124142.244.70000122.6
402N38.2Very low40Very low145 Ų145128.1 Ų128.178%0.77574%0.744SS**  trans65.7150.7144.8-86.1-36.5000117.7
403K38.6Very low40.5Very low162 Ų162126.2 Ų126.270%0.70474%0.736SS**  cis-178172.4-17-165.7176.7164.4169.50103
404D41.5Very low40.8Very low125 Ų125128.3 Ų128.367%0.66874%0.738SS**  trans86142.1166-44.4-23.8000113.8
405D42.6Very low41.2Very low131 Ų131125.6 Ų125.670%0.70173%0.73SS**  cis-172160.1-18.4-104.4-34.7000105.2
406T40.7Very low41.4Very low125 Ų125127 Ų12777%0.76773%0.733SS**  trans73.4109.8153.113.50000121.1
407Q40.2Very low42.2Very low164 Ų164127 Ų12777%0.76673%0.733SS**  20.6143.8127.3-62-157.944.800119.6
408I43.7Very low43Very low146 Ų146126.4 Ų126.475%0.74973%0.734SS**  -174.4120.3109.9-68.5-144.2000109.7
409N43.5Very low43.8Very low128 Ų128129.2 Ų129.268%0.68476%0.764SS**  trans44124.2144.1-50.5-15.6000122.4
410S43.8Very low44.2Very low116 Ų116130.5 Ų130.581%0.81177%0.77SS**  154.811799.2-61.50000111.8
411A47.7Very low44.6Very low93 Ų93131.1 Ų131.177%0.76977%0.772SS**  trans-78.4-167.9163.900000109.8
412P48.2Very low45Very low110 Ų110131.7 Ų131.771%0.71477%0.774SS**  cis-145.7-1790.540.1-18.9000116.8
413S45.6Very low45.4Very low89 Ų89130.9 Ų130.962%0.62277%0.774SS**  trans101129130.475.80000121.3
414N43.9Very low45.8Very low156 Ų156129 Ų12983%0.83478%0.778SS**  trans80.8137.9145.2-58.9-15.2000117.3
415A48.3Very low46.1Very low78 Ų78129.3 Ų129.365%0.64579%0.786SS**  cis-173.8154.6-3.600000107.3
416H45.2Very low46.3Very low188 Ų188129.1 Ų129.187%0.8779%0.792SS**  trans58.6141148.3-86.5-118.1000118.2
417S53.1Low46.8Very low99 Ų99129.5 Ų129.569%0.69279%0.794SS**  cis-167.4143.229.5-177.30000109.4
418S51.6Low47.3Very low108 Ų108126.6 Ų126.676%0.75580%0.796SS**  trans2.7116.1152.8-44.60000120
419C53.1Low47.6Very low208 Ų208124.8 Ų124.8100%1.40580%0.8SS**  -176.20106.3-99.20000109.6

Retrieved 419 of 419 residues in 94.9 ms (Link to these results)

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